A0A5K4F7C6_SCHMA Loading...

ATP-binding cassette sub-family A member 1

AlphaFold DB , UniProt , Accession A0A5K4F7C6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,291 aa.

>A0A5K4F7C6_SCHMA|A0A5K4F7C6
MKDSNDKDTKISLSKSKEFFIHYQLLMWKNFLLRKRRPGFLLAEILVPLMIPIILVGIRTESPPVNENTCHVRSINLPTMGLFSYLQSIVCNFLYRCHSIDPDSTSQQFNYTVFDIFNELTSENESPNDYNEHFNDIHYNKTINFGIFNITIKQIHWLSSLSKFICGTKTANLNDLGKLMEFLKDIDFTNLIDIEKKLKRIRRYTSSSSSSSSLLLSTINHMDTIETNYKINCIALDQLLRNSLLIHYTGRLRFLLNGYIFYYPVNQWTNEIMYRVMEPQRLLILLKNILKQYQLQTKPILNQLLSNTTILKQIRSMLKTCTIHSNGTLHGLIQKFCLNALLWLNPEGQNHFNETNDLLNQPMIFHRINIMIDIIIQLLDCFPLATHIYGVNNQSMFNVYMNLFKSQVHPIVQGILFNNTIFSSNHHQLNSIQNTSTIITIRQNPYIIDDTNNYKVLDHTWNPKPRNNVNDGDTKYLTSGFLDIQDLISNAIIEISNNIPERIKQLNNSWNSWTGSSSTSSSPSTSSSNHLLIGKQMKFFPTSCYKKDEFLNKIKKLLPQLLLLTWILNAMLITKYIVEEKENYIKEFTKIMGFTNTTHWLSWFSSTFIIVLPITIIITLILKYGNIFIISSIFIIFFLLISYIISIIMFCFLCSIFFQKSNLSAIVTGLFYFIIYIPIPLILMNEKWIKEEIIYITSLSNQVAFSLGLYSLLRLESQNLDTYWNDLWQPKLSDSLFSPGKSILMLWIDSILYLCMTLLIEWIISKKYNIYQSFYSRIKCQNWKIFNKHKDEPIDCIKNVIYKEDGGNVQLCVESNHECLPISISVKNLSKMYNKKSKPALDHLNIEFYTNQITSLLGHNGSGKSTLISILTGIHKPSNGLAMICGYNIHQQMNQIRTNLGYCPQHNILFEYLTVIEHIKFYAKLKGFNKEQINNEVNYFSNLLNLTNKLNDQVKTLSGGQKRKLSIAIAFVGQASVILLDEPTTGVDPYSRRSIWDLILKMKLNKTIIITTHHMDEADILGDRIAIISQGKLKCYGSSLFLKSTYGQGYYLILERHNQLLDGDSTESLHSDTLTDEDFNDIINYLKQYIKDISLIDYNQNEMIYRIPIQNIIDGSLSQLFKQFENPLSPNDQIILPIELTSHGIISCGLTDTSLEEIFLNIADDPAMLLQDSSYHLGGMTTATDNKNDNQYETDVNKNDTSMNQIQQQHGQQMFTSTGLRQSQMNSLRQSSHLSHLTNRGPISAPPTLPNLLHRKHYYNKTDKSNDTVNVHPISNVNVPLNQPNTRQQIKAMFLKRFHYLKRSKLSLFIEFILPICVLILVLKSLQFFKKPSSNQPMIITPWLMSDENNKLPLNTFYENNLYELENPTDNLLNKSNTFKSVLNIAWNYENALKQPYGWTGIGCLPKYTLQNINAYYKTYSQCNLSNIKIIKKELTHQQMKYIRSYQSNECSCNTSCFMNSFTQYEQQPSSKILPTKDIFLNLTSFKVSDYLIRTQNQYIKQRYGGLSYHTHNYPSLRKLSKYLLNSNNLFIYSLTNMTSIYDLHGNLIMKDTFWSDIITFIQLSLPPISYFRIWFNNKGYVSGPAYLNTLHNLQLHMLYNNQTALINQNHSSSIIFINHPLTILDNHKSLGLPTELLYDLTLSLFTLLSLSLIPASFISFLVKENNIGSKYLQYVSGLKSFIYWLCNYLWDIINYIICSILCIIIFIFYQKLAYIHIDVILSFILLILLYGIAIIPMLYIATFFILSPSTSLVILSIFNLLIGSITCMCTLILDDFSQNNITLNMINNIIKIIFHIFPQYCLSRGLFDLAKRYYIIKFIQKYKINKSIFNHNHYNNIDPFDWNILGSKLIALPIEACLFFLFIIFKENQFFIQSINNYFYINYPKLLKKHNMIFMKKLDRIKSNNNNNNNNNNDRRSDINKSINDNDNHDEDNNNSEDEDVHAERLRIMKADKEGYLNSLCSVAVINLTKFFPLKKKPSVNRLTFAVRPGECFGLLGVNGAGKTTAFNMITGKLHPSMGTVYVNGFNVVTQTKNALKNLGYCPQFDAVHDLLTGRETLSLYARLRGFPENEISKTVSELLQNMGLSPYADRITSAYSGGNRRKLSTAIAIIGKPQVILLDEPTSGMDPIGKRFMWDQIILLIKEGRSIILTTHSMEECEALCQYIGIMINGQLKCFGTIQHLKNRFGNGYQVDIRLNHLVTNNQINQLKNEFHLKFPNSILNELQSYYYKYQMDKNIQLSLLFTLLNQMQMDHIIEHYSVRQTTLDQVFVNFSSDEMNHIDNVNNIEFIQ
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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
1M40.9Very low49.1Very low201 Ų201116.6 Ų116.699%0.9959%0.586SS**  0-25.70-83.1-170.4176.200113.9S4M1-S4 PolarHBondContact O-OG 2.76Å
2K42.1Very low49.7Very low183 Ų183112.8 Ų112.880%0.79658%0.578SS**Hα-helixtrans-68.2-42.6170.3-76.8-175.2172.8179.90111.7S4 N5 D6K2-S4 VanDerWaalsContact C-N 3.25Å; K2-S4 PolarHBondContact O-N 2.94Å; K2-N5 PolarHBondContact O-N 3.04Å; K2-N5 VanDerWaalsContact O-N 3.15Å; K2-D6 PolarHBondContact O-N 3.23Å
3D46Very low50.3Low120 Ų120112.3 Ų112.364%0.64258%0.576SS**Hα-helixtrans-69.2-16.6-173.8-35.7-76.3000114.8K7D3-K7 WeakPolarHBondContact O-CG 3.28Å; D3-K7 PolarHBondContact O-N 2.92Å
4S45.6Very low51.3Low55 Ų55107.9 Ų107.939%0.38556%0.56SS.*Hα-helixtrans-74.9-46.1171.840.20000111.3M1 K2 D6 K7 D8M1-S4 PolarHBondContact O-OG 2.76Å; K2-S4 VanDerWaalsContact C-N 3.25Å; K2-S4 PolarHBondContact O-N 2.94Å; S4-D6 VanDerWaalsContact C-N 3.29Å; S4-D6 PolarHBondContact O-N 3.12Å; S4-K7 PolarHBondContact O-N 3.11Å; S4-D8 PolarHBondContact O-N 2.96Å
5N49.6Very low52.1Low106 Ų106106.8 Ų106.857%0.56755%0.55SS*.Hα-helixtrans-67.6-34.4-178.8-64.315.4000111.1K2 K7 D8 T9K2-N5 PolarHBondContact O-N 3.04Å; K2-N5 VanDerWaalsContact O-N 3.15Å; N5-K7 VanDerWaalsContact C-N 3.32Å; N5-K7 PolarHBondContact O-N 2.98Å; N5-D8 PolarHBondContact O-N 3.06Å; N5-T9 WeakPolarHBondContact O-CB 3.37Å; N5-T9 VanDerWaalsContact O-CG2 3.31Å; N5-T9 WeakPolarHBondContact O-CG2 3.48Å; N5-T9 PolarHBondContact O-N 2.96Å; N5-T9 PolarHBondContact O-OG1 3.41Å
6D52.2Low53.1Low85 Ų85103.8 Ų103.846%0.45554%0.541SS..Hα-helixtrans-66.8-31.5175.7-121.761.1000112.8K2 S4 T9 K10K2-D6 PolarHBondContact O-N 3.23Å; S4-D6 VanDerWaalsContact C-N 3.29Å; S4-D6 PolarHBondContact O-N 3.12Å; D6-T9 WeakPolarHBondContact CA-OG1 3.35Å; D6-T9 PolarHBondContact O-OG1 3.08Å; D6-K10 WeakPolarHBondContact O-CB 3.47Å; D6-K10 VanDerWaalsContact O-CD 3.31Å; D6-K10 WeakPolarHBondContact O-CD 3.49Å; D6-K10 VanDerWaalsContact O-CG 3.22Å; D6-K10 WeakPolarHBondContact O-CG 3.44Å; D6-K10 PolarHBondContact O-N 3.47Å; D6-K10 IonicContact OD2-NZ 3.86Å; D6-K10 PolarHBondContact OD2-NZ 3.09Å
7K49.5Very low54.4Low148 Ų148106.3 Ų106.364%0.64355%0.546SS*.Hα-helixtrans-73.4-48.6172.4-77.6179.2176.4178.70111.5D3 S4 N5 T9 K10 I11D3-K7 WeakPolarHBondContact O-CG 3.28Å; D3-K7 PolarHBondContact O-N 2.92Å; S4-K7 PolarHBondContact O-N 3.11Å; N5-K7 VanDerWaalsContact C-N 3.32Å; N5-K7 PolarHBondContact O-N 2.98Å; K7-T9 PolarHBondContact O-N 2.84Å; K7-K10 PolarHBondContact O-N 3.06Å; K7-I11 VanDerWaalsContact O-CB 3.28Å; K7-I11 WeakPolarHBondContact O-CB 3.3Å; K7-I11 WeakPolarHBondContact O-CD1 2.99Å; K7-I11 WeakPolarHBondContact O-CG1 3.05Å; K7-I11 PolarHBondContact O-N 2.85Å
8D49.4Very low55.5Low109 Ų109106 Ų10658%0.58354%0.542SS*.Hα-helixtrans-65.6-37.9-178.7-76.7-33.7000112.9S4 N5 I11 S12S4-D8 PolarHBondContact O-N 2.96Å; N5-D8 PolarHBondContact O-N 3.06Å; D8-I11 PolarHBondContact O-N 3.42Å; D8-S12 PolarHBondContact O-N 2.99Å
9T55.8Low56.7Low71 Ų71104.2 Ų104.244%0.43653%0.53SS..Hα-helixtrans-63.9-50.1172.450.60000111.5N5 D6 K7 I11 S12 L13N5-T9 WeakPolarHBondContact O-CB 3.37Å; N5-T9 VanDerWaalsContact O-CG2 3.31Å; N5-T9 WeakPolarHBondContact O-CG2 3.48Å; N5-T9 PolarHBondContact O-N 2.96Å; N5-T9 PolarHBondContact O-OG1 3.41Å; D6-T9 WeakPolarHBondContact CA-OG1 3.35Å; D6-T9 PolarHBondContact O-OG1 3.08Å; K7-T9 PolarHBondContact O-N 2.84Å; T9-I11 VanDerWaalsContact C-N 3.28Å; T9-I11 PolarHBondContact O-N 3.11Å; T9-S12 PolarHBondContact O-N 3.21Å; T9-S12 PolarHBondContact O-OG 3.39Å; T9-L13 PolarHBondContact O-N 3.31Å
10K54.6Low58Low134 Ų134106 Ų10658%0.58353%0.534SS*.Hα-helixtrans-57.8-38.8174.8-76.1168.4179.4145.90112.6D6 K7 L13 S14D6-K10 WeakPolarHBondContact O-CB 3.47Å; D6-K10 VanDerWaalsContact O-CD 3.31Å; D6-K10 WeakPolarHBondContact O-CD 3.49Å; D6-K10 VanDerWaalsContact O-CG 3.22Å; D6-K10 WeakPolarHBondContact O-CG 3.44Å; D6-K10 PolarHBondContact O-N 3.47Å; D6-K10 IonicContact OD2-NZ 3.86Å; D6-K10 PolarHBondContact OD2-NZ 3.09Å; K7-K10 PolarHBondContact O-N 3.06Å; K10-L13 PolarHBondContact O-N 3.37Å; K10-S14 PolarHBondContact O-N 2.04Å; K10-S14 PolarHBondContact O-OG 3.47Å
11I54.6Low59.2Low71 Ų71104 Ų10436%0.36453%0.525SS..Hα-helixtrans-68.3-31176.3-72.9166.7000112.4K7 D8 T9 S14 K15K7-I11 VanDerWaalsContact O-CB 3.28Å; K7-I11 WeakPolarHBondContact O-CB 3.3Å; K7-I11 WeakPolarHBondContact O-CD1 2.99Å; K7-I11 WeakPolarHBondContact O-CG1 3.05Å; K7-I11 PolarHBondContact O-N 2.85Å; D8-I11 PolarHBondContact O-N 3.42Å; T9-I11 VanDerWaalsContact C-N 3.28Å; T9-I11 PolarHBondContact O-N 3.11Å; I11-S14 PolarHBondContact O-OG 3.11Å; I11-K15 HydrophobicContact CG2-CD 4.23Å; I11-K15 VanDerWaalsContact O-CD 3.25Å; I11-K15 WeakPolarHBondContact O-CD 3.29Å; I11-K15 VanDerWaalsContact O-CG 3.27Å; I11-K15 WeakPolarHBondContact O-CG 3.26Å; I11-K15 PolarHBondContact O-N 2.89Å
12S55.9Low61.2Low71 Ų7195.9 Ų95.950%0.49748%0.484SS..Hα-helixtrans-71.8-41.4171.374.90000112D8 T9 K15 S16D8-S12 PolarHBondContact O-N 2.99Å; T9-S12 PolarHBondContact O-N 3.21Å; T9-S12 PolarHBondContact O-OG 3.39Å; S12-K15 PolarHBondContact O-N 2.99Å; S12-S16 PolarHBondContact O-N 3.24Å; S12-S16 PolarHBondContact O-OG 3.26Å
13L57.7Low63.3Low106 Ų10689.2 Ų89.256%0.55545%0.454SS*.Hα-helixtrans-69.7-34.9-178.5-102.6156.9000113.5T9 K10 S16 K17T9-L13 PolarHBondContact O-N 3.31Å; K10-L13 PolarHBondContact O-N 3.37Å; L13-S16 WeakPolarHBondContact CA-OG 3.35Å; L13-S16 PolarHBondContact O-OG 2.97Å; L13-K17 PolarHBondContact O-N 3.04Å; L13-K17 VanDerWaalsContact O-N 3.13Å
14S64.2Low65.4Low50 Ų5088.6 Ų88.635%0.3545%0.448SS..Hα-helixtrans-65.4-49.617162.90000110.8K10 I11 S16 K17 E18K10-S14 PolarHBondContact O-N 2.04Å; K10-S14 PolarHBondContact O-OG 3.47Å; I11-S14 PolarHBondContact O-OG 3.11Å; S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.4Å; S14-K17 WeakPolarHBondContact O-CB 3.47Å; S14-K17 PolarHBondContact O-N 3.29Å; S14-E18 WeakPolarHBondContact O-CG 3.43Å; S14-E18 PolarHBondContact O-N 3.06Å
15K64.1Low67.3Low92 Ų9286.4 Ų86.440%0.443%0.431SS..Hα-helixtrans-60.6-34.1178.7-71.7169-174.4161.20113.1I11 S12 F19I11-K15 HydrophobicContact CG2-CD 4.23Å; I11-K15 VanDerWaalsContact O-CD 3.25Å; I11-K15 WeakPolarHBondContact O-CD 3.29Å; I11-K15 VanDerWaalsContact O-CG 3.27Å; I11-K15 WeakPolarHBondContact O-CG 3.26Å; I11-K15 PolarHBondContact O-N 2.89Å; S12-K15 PolarHBondContact O-N 2.99Å; K15-F19 WeakPolarHBondContact O-CB 3.48Å; K15-F19 PolarHBondContact O-N 3.08Å; K15-F19 VanDerWaalsContact O-N 3.09Å
16S67.8Low69.1Low58 Ų5881.4 Ų81.441%0.40641%0.405SS..Hα-helixtrans-72.5-36.2173.359.20000112.8S12 L13 S14 F20S12-S16 PolarHBondContact O-N 3.24Å; S12-S16 PolarHBondContact O-OG 3.26Å; L13-S16 WeakPolarHBondContact CA-OG 3.35Å; L13-S16 PolarHBondContact O-OG 2.97Å; S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.4Å; S16-F20 PolarHBondContact O-N 3.07Å; S16-F20 VanDerWaalsContact O-N 3.14Å
17K75.8Confident70.8Confident147 Ų14780 Ų8064%0.63940%0.396SS*.Hα-helixtrans-64.8-47.9172.3-85.9-174.1172.2-177.60111.7L13 S14 F19 F20 I21L13-K17 PolarHBondContact O-N 3.04Å; L13-K17 VanDerWaalsContact O-N 3.13Å; S14-K17 WeakPolarHBondContact O-CB 3.47Å; S14-K17 PolarHBondContact O-N 3.29Å; K17-F19 VanDerWaalsContact C-N 3.35Å; K17-F19 PolarHBondContact O-N 3.39Å; K17-F20 PolarHBondContact O-N 3.22Å; K17-I21 WeakPolarHBondContact O-CG1 3.5Å; K17-I21 PolarHBondContact O-N 3.17Å
18E72.5Confident72.7Confident101 Ų10177.7 Ų77.747%0.47238%0.383SS..Hα-helixtrans-53-51.2174.6-72.7167.8-175.700111.1S14 F20 I21 H22S14-E18 WeakPolarHBondContact O-CG 3.43Å; S14-E18 PolarHBondContact O-N 3.06Å; E18-F20 VanDerWaalsContact C-N 3.32Å; E18-F20 PolarHBondContact O-N 2.96Å; E18-I21 PolarHBondContact O-N 3.5Å; E18-H22 WeakPolarHBondContact O-CB 3.41Å; E18-H22 PolarHBondContact O-N 3.11Å; E18-H22 PolarHBondContact O-ND1 3.02Å; E18-H22 VanDerWaalsContact O-ND1 3.16Å
19F80Confident74.6Confident71 Ų7172.6 Ų72.631%0.31136%0.356SS..Hα-helixtrans-55.4-44.5177.5-179.8-88.1000112.6K15 K17 Y23 T598 L601K15-F19 WeakPolarHBondContact O-CB 3.48Å; K15-F19 PolarHBondContact O-N 3.08Å; K15-F19 VanDerWaalsContact O-N 3.09Å; K17-F19 VanDerWaalsContact C-N 3.35Å; K17-F19 PolarHBondContact O-N 3.39Å; F19-Y23 WeakPolarHBondContact O-CB 3.39Å; F19-Y23 PolarHBondContact O-N 2.81Å; F19-T598 HydrophobicContact CD2-CG2 3.46Å; F19-T598 VanDerWaalsContact CD2-CG2 3.46Å; F19-T598 HydrophobicContact CE2-CG2 3.42Å; F19-T598 VanDerWaalsContact CE2-CG2 3.42Å; F19-T598 HydrophobicContact CG-CG2 4.13Å; F19-T598 HydrophobicContact CZ-CG2 4.05Å; F19-L601 HydrophobicContact CZ-CD1 4.33Å
20F81.9Confident76.1Confident140 Ų14069.2 Ų69.261%0.61434%0.336SS*.Hα-helixtrans-68.4-40.3179.2-115.8-81.9000113.1S16 K17 E18 Y23 Q24S16-F20 PolarHBondContact O-N 3.07Å; S16-F20 VanDerWaalsContact O-N 3.14Å; K17-F20 PolarHBondContact O-N 3.22Å; E18-F20 VanDerWaalsContact C-N 3.32Å; E18-F20 PolarHBondContact O-N 2.96Å; F20-Y23 PolarHBondContact O-N 3.39Å; F20-Q24 WeakPolarHBondContact O-CB 3.41Å; F20-Q24 PolarHBondContact O-N 3.39Å
21I82.2Confident77.6Confident66 Ų6667.5 Ų67.534%0.33833%0.328SS..Hα-helixtrans-63.7-46.4176.3-68.9164.7000110.2K17 E18 Q24 L25 K924K17-I21 WeakPolarHBondContact O-CG1 3.5Å; K17-I21 PolarHBondContact O-N 3.17Å; E18-I21 PolarHBondContact O-N 3.5Å; I21-Q24 PolarHBondContact O-N 3.36Å; I21-L25 HydrophobicContact CG2-CD1 4.14Å; I21-L25 WeakPolarHBondContact O-CB 3.32Å; I21-L25 PolarHBondContact O-N 3.1Å; I21-K924 HydrophobicContact CG2-CG 4.38Å
22H84.5Confident79.1Confident29 Ų2965.1 Ų65.113%0.13432%0.316CS..Hα-helixtrans-60.4-46.6176.1-70.8151.1000112.5E18 L25 L26 F594 T598E18-H22 WeakPolarHBondContact O-CB 3.41Å; E18-H22 PolarHBondContact O-N 3.11Å; E18-H22 PolarHBondContact O-ND1 3.02Å; E18-H22 VanDerWaalsContact O-ND1 3.16Å; H22-L25 PolarHBondContact O-N 3.37Å; H22-L26 PolarHBondContact O-N 3.15Å; H22-L26 VanDerWaalsContact O-N 3.09Å; H22-F594 HydrophobicContact CB-CD1 3.78Å; H22-F594 HydrophobicContact CB-CE1 3.62Å; H22-F594 AromaticContact CD2-CE1 3.89Å; H22-F594 AromaticContact CG-CE1 3.93Å; H22-F594 WeakPolarHBondContact O-CE1 3.39Å; H22-T598 HydrophobicContact CB-CG2 4.18Å
23Y86.3Confident80.3Confident43 Ų4363.1 Ų63.117%0.16930%0.3CS..Hα-helixtrans-60-46.7175.3164.5-111.8000112.2F19 F20 L25 L26 M27 L601 S605F19-Y23 WeakPolarHBondContact O-CB 3.39Å; F19-Y23 PolarHBondContact O-N 2.81Å; F20-Y23 PolarHBondContact O-N 3.39Å; Y23-L25 VanDerWaalsContact C-N 3.35Å; Y23-L25 PolarHBondContact O-N 3.42Å; Y23-L26 PolarHBondContact O-N 2.97Å; Y23-M27 WeakPolarHBondContact O-CB 3.46Å; Y23-M27 PolarHBondContact O-N 3.38Å; Y23-L601 HydrophobicContact CD2-CD2 3.86Å; Y23-L601 HydrophobicContact CE2-CD2 3.37Å; Y23-S605 WeakPolarHBondContact OH-CB 3.32Å; Y23-S605 PolarHBondContact OH-OG 2.94Å
24Q88.5Confident81.4Confident108 Ų10858.5 Ų58.551%0.50528%0.275SS..Hα-helixtrans-61.4-41.6179.1-169.6-169.456.100112.1F20 I21 M27 W28F20-Q24 WeakPolarHBondContact O-CB 3.41Å; F20-Q24 PolarHBondContact O-N 3.39Å; I21-Q24 PolarHBondContact O-N 3.36Å; Q24-M27 PolarHBondContact O-N 3.49Å; Q24-W28 WeakPolarHBondContact O-CB 3.37Å; Q24-W28 PolarHBondContact O-N 3.48Å
25L86.6Confident82.3Confident8 Ų863.2 Ų63.24%0.04229%0.289CS..Hα-helixtrans-60.1-50.3176-90.8162.4000112.3I21 H22 Y23 M27 K29 F921 K924I21-L25 HydrophobicContact CG2-CD1 4.14Å; I21-L25 WeakPolarHBondContact O-CB 3.32Å; I21-L25 PolarHBondContact O-N 3.1Å; H22-L25 PolarHBondContact O-N 3.37Å; Y23-L25 VanDerWaalsContact C-N 3.35Å; Y23-L25 PolarHBondContact O-N 3.42Å; L25-M27 VanDerWaalsContact C-N 3.35Å; L25-M27 PolarHBondContact O-N 3Å; L25-K29 WeakPolarHBondContact O-CB 3.36Å; L25-K29 PolarHBondContact O-N 3.47Å; L25-F921 HydrophobicContact CB-CD2 4.44Å; L25-F921 HydrophobicContact CB-CE2 4.08Å; L25-F921 HydrophobicContact CD2-CD2 3.64Å; L25-F921 HydrophobicContact CD2-CE2 4.14Å; L25-F921 HydrophobicContact CD2-CG 4.28Å; L25-K924 HydrophobicContact CD1-CB 4.05Å; L25-K924 HydrophobicContact CD1-CD 4.17Å; L25-K924 HydrophobicContact CD1-CG 4.05Å; L25-K924 HydrophobicContact CD2-CB 4.23Å; L25-K924 HydrophobicContact CD2-CD 4.02Å; L25-K924 HydrophobicContact CG-CD 4.06Å; L25-K924 HydrophobicContact CG-CG 4.48Å
26L87Confident83.2Confident2 Ų262.1 Ų62.11%0.0128%0.282CS..Hα-helixtrans-65-38.2179.5-72.4169.6000111.9H22 Y23 K29 N30 F594 S602 F921H22-L26 PolarHBondContact O-N 3.15Å; H22-L26 VanDerWaalsContact O-N 3.09Å; Y23-L26 PolarHBondContact O-N 2.97Å; L26-K29 PolarHBondContact O-N 3.33Å; L26-N30 WeakPolarHBondContact O-CB 3.35Å; L26-N30 PolarHBondContact O-N 2.87Å; L26-F594 HydrophobicContact CD1-CD1 3.47Å; L26-F594 VanDerWaalsContact CD1-CD1 3.47Å; L26-F594 HydrophobicContact CD1-CE1 3.57Å; L26-F594 HydrophobicContact CD1-CG 4.18Å; L26-F594 HydrophobicContact CD1-CZ 4.31Å; L26-F594 HydrophobicContact CD2-CD1 4.44Å; L26-F594 HydrophobicContact CD2-CE1 4.09Å; L26-F594 HydrophobicContact CD2-CE2 4.28Å; L26-F594 HydrophobicContact CD2-CZ 3.99Å; L26-F594 HydrophobicContact CG-CD1 3.94Å; L26-F594 HydrophobicContact CG-CE1 3.5Å; L26-F594 HydrophobicContact CG-CZ 3.84Å; L26-S602 WeakPolarHBondContact CB-OG 3.47Å; L26-S602 PolarHBondContact O-OG 2.89Å; L26-F921 HydrophobicContact CD2-CZ 4.37Å
27M88Confident83.6Confident54 Ų5461.1 Ų61.127%0.26627%0.27SS..Hα-helixtrans-66.6-44.8-179.8-168.2-169.679.500111.4Y23 Q24 L25 N30 F31 S602 I609Y23-M27 WeakPolarHBondContact O-CB 3.46Å; Y23-M27 PolarHBondContact O-N 3.38Å; Q24-M27 PolarHBondContact O-N 3.49Å; L25-M27 VanDerWaalsContact C-N 3.35Å; L25-M27 PolarHBondContact O-N 3Å; M27-N30 PolarHBondContact O-N 3.36Å; M27-F31 PolarHBondContact O-N 3.04Å; M27-S602 WeakPolarHBondContact CA-OG 3.37Å; M27-S602 PolarHBondContact N-OG 3.27Å; M27-I609 HydrophobicContact CE-CD1 4.33Å; M27-I609 HydrophobicContact SD-CD1 3.87Å
28W89.7Confident83.6Confident100 Ų10058.1 Ų58.138%0.37927%0.265SS..Hα-helixtrans-57.9-47.7173.4170.281.5000111.4Q24 F31 L32 L913 E917 F921Q24-W28 WeakPolarHBondContact O-CB 3.37Å; Q24-W28 PolarHBondContact O-N 3.48Å; W28-F31 PolarHBondContact O-N 3.34Å; W28-L32 HydrophobicContact CH2-CD1 4.18Å; W28-L32 HydrophobicContact CZ2-CD1 3.49Å; W28-L32 VanDerWaalsContact CZ2-CD1 3.49Å; W28-L32 VanDerWaalsContact O-CB 3.3Å; W28-L32 WeakPolarHBondContact O-CB 3.35Å; W28-L32 PolarHBondContact O-N 3.1Å; W28-L913 HydrophobicContact CH2-CD2 3.86Å; W28-L913 HydrophobicContact CZ3-CD2 4.01Å; W28-E917 HydrophobicContact CH2-CB 4.02Å; W28-E917 HydrophobicContact CH2-CG 4.01Å; W28-E917 HydrophobicContact CZ2-CG 4.31Å; W28-F921 HydrophobicContact CZ3-CD2 4.29Å
29K88.9Confident83.7Confident2 Ų256 Ų561%0.00927%0.27CS..Hα-helixtrans-58.1-49.8176.1178-128.762.71750111.6L25 L26 F31 L32 L33 E580 F910 L913 F921L25-K29 WeakPolarHBondContact O-CB 3.36Å; L25-K29 PolarHBondContact O-N 3.47Å; L26-K29 PolarHBondContact O-N 3.33Å; K29-F31 PolarHBondContact O-N 3.36Å; K29-L32 PolarHBondContact O-N 3.1Å; K29-L33 HydrophobicContact CD-CD1 4.24Å; K29-L33 HydrophobicContact CG-CD1 4.14Å; K29-L33 WeakPolarHBondContact O-CB 3.39Å; K29-L33 VanDerWaalsContact O-CG 3.24Å; K29-L33 WeakPolarHBondContact O-CG 3.41Å; K29-L33 PolarHBondContact O-N 3.08Å; K29-E580 IonicContact NZ-OE1 2.68Å; K29-E580 PolarHBondContact NZ-OE1 2.8Å; K29-E580 IonicContact NZ-OE2 2.69Å; K29-F910 HydrophobicContact CD-CD1 4.34Å; K29-F910 HydrophobicContact CD-CE1 3.62Å; K29-F910 HydrophobicContact CD-CZ 3.78Å; K29-F910 HydrophobicContact CG-CE1 4.36Å; K29-L913 HydrophobicContact CG-CD1 3.9Å; K29-F921 HydrophobicContact CB-CE2 4.05Å; K29-F921 HydrophobicContact CD-CE2 4.47Å; K29-F921 HydrophobicContact CG-CE2 4.33Å
30N87Confident83.4Confident1 Ų155.8 Ų55.81%0.00527%0.269CS..Hα-helixtrans-57.5-45178.4-78.8-0.3000112.4L26 M27 R34 S602 W603 S606L26-N30 WeakPolarHBondContact O-CB 3.35Å; L26-N30 PolarHBondContact O-N 2.87Å; M27-N30 PolarHBondContact O-N 3.36Å; N30-R34 PolarHBondContact O-N 2.81Å; N30-S602 PolarHBondContact ND2-O 2.75Å; N30-S602 PolarHBondContact ND2-OG 3.31Å; N30-W603 WeakPolarHBondContact ND2-CA 3.3Å; N30-W603 VanDerWaalsContact ND2-CD2 3.31Å; N30-W603 PolarHBondContact ND2-N 3.36Å; N30-S606 VanDerWaalsContact CB-CB 3.46Å; N30-S606 WeakPolarHBondContact CB-OG 3.4Å; N30-S606 PolarHBondContact ND2-OG 3.36Å
31F85.7Confident83.3Confident97 Ų9751.2 Ų51.243%0.42525%0.251SS..Hα-helixtrans-66.6-44.4179.6-179.5-100.5000112.2M27 W28 K29 R34 K35 I610M27-F31 PolarHBondContact O-N 3.04Å; W28-F31 PolarHBondContact O-N 3.34Å; K29-F31 PolarHBondContact O-N 3.36Å; F31-R34 PolarHBondContact O-N 3.39Å; F31-K35 PolarHBondContact O-N 2.48Å; F31-I610 HydrophobicContact CD2-CD1 4.17Å; F31-I610 HydrophobicContact CD2-CG1 4.25Å; F31-I610 HydrophobicContact CE2-CG1 4.32Å
32L86.3Confident83.2Confident21 Ų2152.8 Ų52.811%0.1126%0.26CS..Hα-helixtrans-67.9-38.4-177.3-169.9155.7000112.3W28 K29 R34 K35 R36 L913W28-L32 HydrophobicContact CH2-CD1 4.18Å; W28-L32 HydrophobicContact CZ2-CD1 3.49Å; W28-L32 VanDerWaalsContact CZ2-CD1 3.49Å; W28-L32 VanDerWaalsContact O-CB 3.3Å; W28-L32 WeakPolarHBondContact O-CB 3.35Å; W28-L32 PolarHBondContact O-N 3.1Å; K29-L32 PolarHBondContact O-N 3.1Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.03Å; L32-K35 PolarHBondContact O-N 2.89Å; L32-R36 PolarHBondContact O-N 2.66Å; L32-R36 VanDerWaalsContact O-N 3.08Å; L32-L913 HydrophobicContact CD1-CD2 4.43Å; L32-L913 HydrophobicContact CD2-CD2 3.76Å; L32-L913 HydrophobicContact CD2-CG 4.26Å
33L81.7Confident82.7Confident29 Ų2952.9 Ų52.915%0.15227%0.266CS..Hα-helixtrans-59-40.9172.5-70.8173.6000112.3K29 F910 Y912 L913K29-L33 HydrophobicContact CD-CD1 4.24Å; K29-L33 HydrophobicContact CG-CD1 4.14Å; K29-L33 WeakPolarHBondContact O-CB 3.39Å; K29-L33 VanDerWaalsContact O-CG 3.24Å; K29-L33 WeakPolarHBondContact O-CG 3.41Å; K29-L33 PolarHBondContact O-N 3.08Å; L33-F910 HydrophobicContact CD1-CD1 4.37Å; L33-Y912 HydrophobicContact CD2-CD2 4.47Å; L33-L913 HydrophobicContact CD2-CD1 4.36Å; L33-L913 HydrophobicContact CD2-CG 4.44Å
34R80.9Confident82.3Confident10 Ų1050.9 Ų50.94%0.03826%0.258CS..Hα-helixtrans-69.2-44.1174.9-70.5177.5174.4-107-2.4112N30 F31 L32 R36 R37 L41 E44 I610N30-R34 PolarHBondContact O-N 2.81Å; F31-R34 PolarHBondContact O-N 3.39Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 3.03Å; R34-R36 PolarHBondContact O-N 2.84Å; R34-R37 CarbonylContact O-C 3.6Å; R34-R37 PolarHBondContact O-N 3.22Å; R34-L41 HydrophobicContact CB-CD1 4.18Å; R34-E44 IonicContact CZ-OE1 3.32Å; R34-E44 IonicContact CZ-OE2 3.39Å; R34-E44 IonicContact NH1-OE1 3.39Å; R34-E44 PolarHBondContact NH1-OE1 2.94Å; R34-E44 IonicContact NH1-OE2 3.8Å; R34-E44 PolarHBondContact NH1-OE2 3.5Å; R34-I610 HydrophobicContact CB-CD1 4.25Å; R34-I610 HydrophobicContact CG-CD1 4.4Å
35K83.2Confident82.1Confident148 Ų14848.7 Ų48.764%0.64325%0.249SC*.Hα-helixtrans-56.9-34.2177-173.6176.4179.1179.40112.7F31 L32 R37F31-K35 PolarHBondContact O-N 2.48Å; L32-K35 PolarHBondContact O-N 2.89Å; K35-R37 VanDerWaalsContact C-N 3.32Å
36R82.4Confident81.9Confident69 Ų6952.4 Ų52.426%0.2627%0.269SS..THydrogen-bonded Turntrans-84.43.6176.5-70.6-175.2175.8152.912.7114.9L32 R34 P38 Y912 E917L32-R36 PolarHBondContact O-N 2.66Å; L32-R36 VanDerWaalsContact O-N 3.08Å; R34-R36 PolarHBondContact O-N 2.84Å; R36-P38 WeakPolarHBondContact O-CD 3.5Å; R36-Y912 WeakPolarHBondContact CD-O 3.44Å; R36-Y912 PolarHBondContact NH1-O 3.43Å; R36-E917 IonicContact CZ-OE1 3.99Å; R36-E917 IonicContact CZ-OE2 2.76Å; R36-E917 IonicContact NH1-OE1 3.51Å; R36-E917 IonicContact NH1-OE2 3.67Å; R36-E917 PolarHBondContact NH1-OE2 3.07Å; R36-E917 IonicContact NH2-OE1 3.15Å; R36-E917 PolarHBondContact NH2-OE1 3.29Å; R36-E917 IonicContact NH2-OE2 2.84Å; R36-E917 PolarHBondContact NH2-OE2 3.14Å
37R76.3Confident81.4Confident38 Ų3853.4 Ų53.414%0.14328%0.275CS..  trans-116.358171.3-75.1-180163.3-175.9-7.2110.7R34 K35 G39 F40 L41 E579 Y912R34-R37 CarbonylContact O-C 3.6Å; R34-R37 PolarHBondContact O-N 3.22Å; K35-R37 VanDerWaalsContact C-N 3.32Å; R37-G39 PolarHBondContact O-N 3.01Å; R37-F40 HydrophobicContact CB-CD2 4.21Å; R37-F40 PolarHBondContact O-N 3.43Å; R37-L41 PolarHBondContact O-N 3.08Å; R37-E579 IonicContact CZ-OE1 3.83Å; R37-E579 IonicContact CZ-OE2 2.61Å; R37-E579 IonicContact NH1-OE1 3.02Å; R37-E579 PolarHBondContact NH1-OE1 2.9Å; R37-E579 IonicContact NH1-OE2 2.75Å; R37-E579 PolarHBondContact NH1-OE2 3.33Å; R37-E579 IonicContact NH2-OE1 3.94Å; R37-E579 PolarHBondContact NH2-OE1 2.81Å; R37-E579 IonicContact NH2-OE2 2.69Å; R37-Y912 HydrophobicContact CG-CD1 4.42Å; R37-Y912 HydrophobicContact CG-CE1 4.01Å; R37-Y912 VanDerWaalsContact NE-CZ 3.26Å; R37-Y912 PolarHBondContact NE-OH 2.95Å; R37-Y912 VanDerWaalsContact NE-OH 3.15Å; R37-Y912 VanDerWaalsContact NH2-CE2 3.29Å; R37-Y912 PolarHBondContact NH2-OH 3.45Å
38P76.5Confident81Confident84 Ų8450.9 Ų50.955%0.54526%0.262SS..Hα-helixtrans-57.9-41.1-163.622.2-34.5000114.3R36 F40 L41 L42R36-P38 WeakPolarHBondContact O-CD 3.5Å; P38-F40 VanDerWaalsContact C-N 3.27Å; P38-F40 PolarHBondContact O-N 3Å; P38-L41 PolarHBondContact O-N 2.85Å; P38-L42 VanDerWaalsContact O-CB 3.27Å; P38-L42 WeakPolarHBondContact O-CB 3.41Å; P38-L42 PolarHBondContact O-N 3.23Å
39G73.2Confident80.7Confident56 Ų5647 Ų4758%0.57725%0.249SC*.Hα-helixtrans-61.4-31.2179.500000114.3R37 A43R37-G39 PolarHBondContact O-N 3.01Å; G39-A43 PolarHBondContact O-N 2.84Å
40F74.5Confident80.3Confident66 Ų6651.1 Ų51.129%0.28927%0.269SS..Hα-helixtrans-75.3-45.9174-70.6-77.3000111.4R37 P38 L42 A43 E44 L572 Y576 I1755R37-F40 HydrophobicContact CB-CD2 4.21Å; R37-F40 PolarHBondContact O-N 3.43Å; P38-F40 VanDerWaalsContact C-N 3.27Å; P38-F40 PolarHBondContact O-N 3Å; F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 3.15Å; F40-A43 WeakPolarHBondContact O-CB 3.43Å; F40-A43 PolarHBondContact O-N 2.7Å; F40-A43 VanDerWaalsContact O-N 3.12Å; F40-E44 WeakPolarHBondContact O-CG 3.33Å; F40-E44 PolarHBondContact O-N 2.76Å; F40-L572 HydrophobicContact CD1-CD1 4.34Å; F40-L572 HydrophobicContact CD1-CD2 3.99Å; F40-L572 HydrophobicContact CE1-CD2 4.37Å; F40-Y576 WeakPolarHBondContact CB-OH 3.29Å; F40-I1755 HydrophobicContact CE1-CD1 3.95Å; F40-I1755 HydrophobicContact CE1-CG1 4.04Å; F40-I1755 HydrophobicContact CZ-CD1 3.75Å; F40-I1755 HydrophobicContact CZ-CG1 4.37Å
41L80.1Confident79.8Confident44 Ų4451.6 Ų51.623%0.2327%0.271CS..Hα-helixtrans-63.1-35.4178.8-179.8143.8000112.1R34 R37 P38 E44 I45R34-L41 HydrophobicContact CB-CD1 4.18Å; R37-L41 PolarHBondContact O-N 3.08Å; P38-L41 PolarHBondContact O-N 2.85Å; L41-E44 PolarHBondContact O-N 2.9Å; L41-I45 HydrophobicContact CD2-CD1 3.68Å; L41-I45 HydrophobicContact CG-CD1 4.31Å; L41-I45 WeakPolarHBondContact O-CD1 3.32Å; L41-I45 VanDerWaalsContact O-CG1 3.3Å; L41-I45 WeakPolarHBondContact O-CG1 3.47Å; L41-I45 PolarHBondContact O-N 3.44Å
42L80.5Confident79.6Confident99 Ų9947 Ų4752%0.51825%0.252SS..Hα-helixtrans-68.6-35.2175.4-153.8160.2000111.1P38 F40 I45 L46P38-L42 VanDerWaalsContact O-CB 3.27Å; P38-L42 WeakPolarHBondContact O-CB 3.41Å; P38-L42 PolarHBondContact O-N 3.23Å; F40-L42 VanDerWaalsContact C-N 3.29Å; F40-L42 PolarHBondContact O-N 3.15Å; L42-I45 PolarHBondContact O-N 3.16Å; L42-L46 HydrophobicContact CD2-CD1 3.39Å; L42-L46 HydrophobicContact CD2-CG 3.85Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 2.93Å
43A73.6Confident79.4Confident32 Ų3250.7 Ų50.726%0.26427%0.27SS..Hα-helixtrans-72.1-38.2172.100000113.5G39 F40 I45 V47 L568G39-A43 PolarHBondContact O-N 2.84Å; F40-A43 WeakPolarHBondContact O-CB 3.43Å; F40-A43 PolarHBondContact O-N 2.7Å; F40-A43 VanDerWaalsContact O-N 3.12Å; A43-I45 PolarHBondContact O-N 3.2Å; A43-V47 PolarHBondContact O-N 2.97Å; A43-L568 HydrophobicContact CB-CD1 4.34Å
44E78.7Confident79.2Confident1 Ų152 Ų521%0.00528%0.277CS..Hα-helixtrans-56-33.8171.5-74-173.1146.600111.6R34 F40 L41 P48 L568 N569 L572R34-E44 IonicContact CZ-OE1 3.32Å; R34-E44 IonicContact CZ-OE2 3.39Å; R34-E44 IonicContact NH1-OE1 3.39Å; R34-E44 PolarHBondContact NH1-OE1 2.94Å; R34-E44 IonicContact NH1-OE2 3.8Å; R34-E44 PolarHBondContact NH1-OE2 3.5Å; F40-E44 WeakPolarHBondContact O-CG 3.33Å; F40-E44 PolarHBondContact O-N 2.76Å; L41-E44 PolarHBondContact O-N 2.9Å; E44-P48 WeakPolarHBondContact O-CD 3.39Å; E44-P48 WeakPolarHBondContact O-CG 3.48Å; E44-L568 HydrophobicContact CB-CD2 4.48Å; E44-L568 HydrophobicContact CG-CD2 4.08Å; E44-N569 WeakPolarHBondContact CA-OD1 3.35Å; E44-N569 WeakPolarHBondContact CB-OD1 3.39Å; E44-N569 VanDerWaalsContact CG-OD1 3.22Å; E44-N569 WeakPolarHBondContact CG-OD1 3.39Å; E44-N569 PolarHBondContact O-ND2 3.05Å; E44-N569 VanDerWaalsContact O-ND2 3.1Å; E44-N569 PolarHBondContact O-OD1 2.91Å; E44-L572 HydrophobicContact CG-CD1 3.63Å
45I83.6Confident79Confident61 Ų6151.6 Ų51.631%0.31328%0.276SS..Hα-helixtrans-85.5-49179.8-66.6166.4000113.3L41 L42 A43 L49 I614L41-I45 HydrophobicContact CD2-CD1 3.68Å; L41-I45 HydrophobicContact CG-CD1 4.31Å; L41-I45 WeakPolarHBondContact O-CD1 3.32Å; L41-I45 VanDerWaalsContact O-CG1 3.3Å; L41-I45 WeakPolarHBondContact O-CG1 3.47Å; L41-I45 PolarHBondContact O-N 3.44Å; L42-I45 PolarHBondContact O-N 3.16Å; A43-I45 PolarHBondContact O-N 3.2Å; I45-L49 HydrophobicContact CG2-CD1 4.16Å; I45-L49 WeakPolarHBondContact O-CD1 3.24Å; I45-L49 WeakPolarHBondContact O-CG 3.32Å; I45-I614 HydrophobicContact CB-CD1 4.44Å; I45-I614 HydrophobicContact CG1-CD1 3.97Å; I45-I614 HydrophobicContact CG1-CG1 4.27Å
46L81.2Confident79Confident87 Ų8746.3 Ų46.346%0.45526%0.255SS..Hα-helixtrans-70.8-41.7-172.3-80.7-177.3000113.7L42 L49 M50L42-L46 HydrophobicContact CD2-CD1 3.39Å; L42-L46 HydrophobicContact CD2-CG 3.85Å; L42-L46 WeakPolarHBondContact O-CB 3.42Å; L42-L46 PolarHBondContact O-N 2.93Å; L46-L49 WeakPolarHBondContact O-CB 3.37Å; L46-L49 PolarHBondContact O-N 2.93Å; L46-M50 PolarHBondContact O-N 2.67Å
47V77.3Confident78.8Confident23 Ų2345 Ų4514%0.13926%0.264CS..Hα-helixtrans-61-41.6-171.8173.10000113A43 L49 L568 L1762A43-V47 PolarHBondContact O-N 2.97Å; V47-L49 PolarHBondContact O-N 2.99Å; V47-L568 HydrophobicContact CG2-CD1 4.18Å; V47-L1762 HydrophobicContact CG1-CD1 3.97Å; V47-L1762 HydrophobicContact CG1-CD2 4.2Å; V47-L1762 HydrophobicContact CG2-CD1 4.28Å
48P80.7Confident78.8Confident1 Ų143.6 Ų43.61%0.00626%0.259CS..Hα-helixtrans-58.6-27.1169.9-28.437.4000115.8E44 P52 W566 I614 I618E44-P48 WeakPolarHBondContact O-CD 3.39Å; E44-P48 WeakPolarHBondContact O-CG 3.48Å; P48-P52 VanDerWaalsContact O-CD 3.31Å; P48-P52 WeakPolarHBondContact O-CD 3.3Å; P48-W566 HydrophobicContact CB-CH2 4.07Å; P48-W566 HydrophobicContact CB-CZ2 4.12Å; P48-W566 HydrophobicContact CB-CZ3 4.41Å; P48-W566 HydrophobicContact CG-CE3 4.24Å; P48-W566 HydrophobicContact CG-CH2 4.15Å; P48-W566 HydrophobicContact CG-CZ3 3.98Å; P48-I614 HydrophobicContact CB-CG2 3.71Å; P48-I614 HydrophobicContact CG-CG2 4.18Å; P48-I618 HydrophobicContact CB-CD1 3.8Å
49L83.4Confident79.1Confident18 Ų1840 Ų409%0.09424%0.235CC..Hα-helixtrans-89.6-27.4-173.6-63.5173.8000113.9I45 L46 V47 I51 P52 I53 I614 I617 I618 I621I45-L49 HydrophobicContact CG2-CD1 4.16Å; I45-L49 WeakPolarHBondContact O-CD1 3.24Å; I45-L49 WeakPolarHBondContact O-CG 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.37Å; L46-L49 PolarHBondContact O-N 2.93Å; V47-L49 PolarHBondContact O-N 2.99Å; L49-I51 PolarHBondContact O-N 2.87Å; L49-P52 WeakPolarHBondContact O-CD 3.49Å; L49-I53 HydrophobicContact CB-CD1 4.14Å; L49-I53 WeakPolarHBondContact O-CD1 3.3Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 3.34Å; L49-I53 VanDerWaalsContact O-N 3.15Å; L49-I614 HydrophobicContact CD2-CG2 4.45Å; L49-I617 HydrophobicContact CD2-CB 4.17Å; L49-I617 HydrophobicContact CD2-CG2 3.53Å; L49-I618 HydrophobicContact CD2-CG1 3.8Å; L49-I621 HydrophobicContact CD2-CD1 4.21Å
50M80.1Confident79.5Confident88 Ų8842.4 Ų42.443%0.43324%0.238SC..Hα-helixtrans-55-48.8-174.8-68.5-61-68.400113.4L46 I53 I54L46-M50 PolarHBondContact O-N 2.67Å; M50-I53 PolarHBondContact O-N 3.48Å; M50-I54 VanDerWaalsContact O-CG1 3.31Å; M50-I54 WeakPolarHBondContact O-CG1 3.39Å; M50-I54 PolarHBondContact O-N 3.27Å
51I75.5Confident79.6Confident11 Ų1143.7 Ų43.76%0.05625%0.245CC..Hα-helixtrans-69-48.9-176.7-65.1-172.6000112.1L49 I53 I54 L55 L561 T565L49-I51 PolarHBondContact O-N 2.87Å; I51-I53 VanDerWaalsContact C-N 3.29Å; I51-I53 PolarHBondContact O-N 3.12Å; I51-I54 PolarHBondContact O-N 3.41Å; I51-L55 HydrophobicContact CG2-CD1 3.74Å; I51-L55 HydrophobicContact CG2-CG 4.3Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.46Å; I51-L561 HydrophobicContact CD1-CB 4.26Å; I51-L561 HydrophobicContact CD1-CD2 4.46Å; I51-L561 HydrophobicContact CG2-CB 4.06Å; I51-T565 HydrophobicContact CB-CG2 4.21Å; I51-T565 HydrophobicContact CD1-CG2 3.64Å; I51-T565 HydrophobicContact CG1-CG2 3.93Å
52P81.5Confident79.3Confident1 Ų142.8 Ų42.81%0.00624%0.243CC..Hα-helixtrans-51.6-43.2172.6-30.835.8000114.1P48 L49 L55 V56 L562 I618 I621P48-P52 VanDerWaalsContact O-CD 3.31Å; P48-P52 WeakPolarHBondContact O-CD 3.3Å; L49-P52 WeakPolarHBondContact O-CD 3.49Å; P52-L55 PolarHBondContact O-N 3.05Å; P52-V56 WeakPolarHBondContact O-CG2 3.23Å; P52-V56 PolarHBondContact O-N 2.9Å; P52-V56 VanDerWaalsContact O-N 3.16Å; P52-L562 HydrophobicContact CG-CD1 4.49Å; P52-I618 HydrophobicContact CG-CG1 4.42Å; P52-I618 HydrophobicContact CG-CG2 4.49Å; P52-I621 HydrophobicContact CB-CB 4.47Å; P52-I621 HydrophobicContact CB-CG2 3.72Å
53I83.3Confident79.2Confident98 Ų9842.4 Ų42.450%0.50325%0.246SC..Hα-helixtrans-63-46.9179.2-67.9166.3000111.2L49 M50 I51 L55 V56 G57 I621L49-I53 HydrophobicContact CB-CD1 4.14Å; L49-I53 WeakPolarHBondContact O-CD1 3.3Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 3.34Å; L49-I53 VanDerWaalsContact O-N 3.15Å; M50-I53 PolarHBondContact O-N 3.48Å; I51-I53 VanDerWaalsContact C-N 3.29Å; I51-I53 PolarHBondContact O-N 3.12Å; I53-L55 VanDerWaalsContact C-N 3.33Å; I53-L55 PolarHBondContact O-N 3.19Å; I53-V56 PolarHBondContact O-N 3.11Å; I53-G57 PolarHBondContact O-N 3.19Å; I53-I621 HydrophobicContact CG1-CD1 4.22Å
54I77.2Confident79.4Confident57 Ų5742.9 Ų42.929%0.29225%0.246SC..Hα-helixtrans-62.7-40179.3-67.8167.3000111.3M50 I51 V56 G57 I58M50-I54 VanDerWaalsContact O-CG1 3.31Å; M50-I54 WeakPolarHBondContact O-CG1 3.39Å; M50-I54 PolarHBondContact O-N 3.27Å; I51-I54 PolarHBondContact O-N 3.41Å; I54-V56 VanDerWaalsContact C-N 3.35Å; I54-V56 PolarHBondContact O-N 2.95Å; I54-G57 PolarHBondContact O-N 3.4Å; I54-I58 HydrophobicContact CG2-CD1 4.22Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 2.57Å
55L77.3Confident79.4Confident2 Ų246.8 Ų46.81%0.0127%0.27CS..Hα-helixtrans-64.1-37.3178-72.1164.3000112.8I51 P52 I53 I58 R59 I554 L558 I627 I1773I51-L55 HydrophobicContact CG2-CD1 3.74Å; I51-L55 HydrophobicContact CG2-CG 4.3Å; I51-L55 WeakPolarHBondContact O-CG 3.43Å; I51-L55 PolarHBondContact O-N 3.46Å; P52-L55 PolarHBondContact O-N 3.05Å; I53-L55 VanDerWaalsContact C-N 3.33Å; I53-L55 PolarHBondContact O-N 3.19Å; L55-I58 PolarHBondContact O-N 3.13Å; L55-R59 WeakPolarHBondContact O-CB 3.21Å; L55-R59 PolarHBondContact O-N 3.39Å; L55-I554 HydrophobicContact CD2-CD1 4.21Å; L55-L558 HydrophobicContact CD1-CD1 3.46Å; L55-L558 VanDerWaalsContact CD1-CD1 3.46Å; L55-I627 HydrophobicContact CB-CD1 4.07Å; L55-I1773 HydrophobicContact CD2-CD1 4.46Å
56V83Confident79Confident36 Ų3647.7 Ų47.722%0.21828%0.276CS..Hα-helixtrans-67.2-38.4175.5174.30000111.3P52 I53 I54 I58 R59 T60 I621 I627P52-V56 WeakPolarHBondContact O-CG2 3.23Å; P52-V56 PolarHBondContact O-N 2.9Å; P52-V56 VanDerWaalsContact O-N 3.16Å; I53-V56 PolarHBondContact O-N 3.11Å; I54-V56 VanDerWaalsContact C-N 3.35Å; I54-V56 PolarHBondContact O-N 2.95Å; V56-I58 VanDerWaalsContact C-N 3.27Å; V56-I58 PolarHBondContact O-N 2.72Å; V56-R59 WeakPolarHBondContact O-CB 3.36Å; V56-R59 PolarHBondContact O-N 3.06Å; V56-R59 VanDerWaalsContact O-N 3.12Å; V56-T60 PolarHBondContact O-N 2.9Å; V56-T60 VanDerWaalsContact O-N 3.08Å; V56-T60 PolarHBondContact O-OG1 2.83Å; V56-I621 HydrophobicContact CG2-CG2 3.73Å; V56-I627 HydrophobicContact CG2-CD1 4.04Å
57G77.8Confident78.8Confident43 Ų4347 Ų4744%0.44327%0.27SS..Hα-helixtrans-64.3-27173.900000114.5I53 I54 T60I53-G57 PolarHBondContact O-N 3.19Å; I54-G57 PolarHBondContact O-N 3.4Å; G57-T60 PolarHBondContact O-OG1 2.86Å
58I75.8Confident78.9Confident8 Ų851.3 Ų51.34%0.04129%0.292CS..Hα-helixtrans-82.4-31172.6-61.3171.8000110.7I54 L55 V56 E61 S62 F550 I1773 L1774 F1777I54-I58 HydrophobicContact CG2-CD1 4.22Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 2.57Å; L55-I58 PolarHBondContact O-N 3.13Å; V56-I58 VanDerWaalsContact C-N 3.27Å; V56-I58 PolarHBondContact O-N 2.72Å; I58-E61 PolarHBondContact O-N 3.26Å; I58-S62 PolarHBondContact O-N 3.15Å; I58-S62 PolarHBondContact O-OG 3.18Å; I58-F550 HydrophobicContact CB-CE2 4.17Å; I58-F550 HydrophobicContact CG2-CD2 4.19Å; I58-F550 HydrophobicContact CG2-CE2 3.92Å; I58-I1773 HydrophobicContact CD1-CB 4.47Å; I58-I1773 HydrophobicContact CD1-CG2 3.64Å; I58-L1774 HydrophobicContact CD1-CD2 4.21Å; I58-L1774 HydrophobicContact CG1-CD2 4.46Å; I58-F1777 HydrophobicContact CG2-CD2 3.98Å; I58-F1777 HydrophobicContact CG2-CE2 4.18Å; I58-F1777 HydrophobicContact CG2-CG 4.25Å
59R83.1Confident78.8Confident8 Ų853.5 Ų53.53%0.0331%0.306CS..Hα-helixtrans-66.8-36.2177.1-178.748.3160-175-16.1112.8L55 V56 E61 S62 D548 F550 G625 N626L55-R59 WeakPolarHBondContact O-CB 3.21Å; L55-R59 PolarHBondContact O-N 3.39Å; V56-R59 WeakPolarHBondContact O-CB 3.36Å; V56-R59 PolarHBondContact O-N 3.06Å; V56-R59 VanDerWaalsContact O-N 3.12Å; R59-E61 VanDerWaalsContact C-N 3.25Å; R59-E61 PolarHBondContact O-N 3.26Å; R59-S62 PolarHBondContact NH1-O 3.31Å; R59-S62 CarbonylContact O-C 3.56Å; R59-S62 VanDerWaalsContact O-C 3.31Å; R59-S62 PolarHBondContact O-N 3.07Å; R59-D548 IonicContact CZ-OD1 3.32Å; R59-D548 IonicContact CZ-OD2 2.71Å; R59-D548 VanDerWaalsContact CZ-OD2 3.26Å; R59-D548 VanDerWaalsContact NH1-CG 3.3Å; R59-D548 IonicContact NH1-OD1 3.81Å; R59-D548 PolarHBondContact NH1-OD1 3.49Å; R59-D548 IonicContact NH1-OD2 3.46Å; R59-D548 PolarHBondContact NH1-OD2 3.01Å; R59-D548 IonicContact NH2-OD1 2.99Å; R59-D548 IonicContact NH2-OD2 2.68Å; R59-D548 PolarHBondContact NH2-OD2 3.4Å; R59-F550 HydrophobicContact CB-CD2 4.46Å; R59-F550 HydrophobicContact CB-CE1 4.21Å; R59-F550 HydrophobicContact CB-CE2 3.87Å; R59-F550 HydrophobicContact CB-CZ 3.74Å; R59-F550 HydrophobicContact CG-CE1 4.34Å; R59-F550 HydrophobicContact CG-CZ 4.37Å; R59-G625 WeakPolarHBondContact CG-O 3.5Å; R59-N626 HydrophobicContact CG-CB 4.33Å; R59-N626 PolarHBondContact NE-O 3.35Å; R59-N626 PolarHBondContact NH2-O 3.03Å
60T81.6Confident78.9Confident106 Ų10652.9 Ų52.965%0.6530%0.303SS*.Hα-helixtrans-62-31.6176.141.90000113.2V56 G57 S62V56-T60 PolarHBondContact O-N 2.9Å; V56-T60 VanDerWaalsContact O-N 3.08Å; V56-T60 PolarHBondContact O-OG1 2.83Å; G57-T60 PolarHBondContact O-OG1 2.86Å; T60-S62 VanDerWaalsContact C-N 3.31Å
61E76.8Confident79.1Confident94 Ų9449.2 Ų49.244%0.43929%0.285SS..THydrogen-bonded Turntrans-79.7-8.9174.2-70.1-78131.300113.6I58 R59 L1784I58-E61 PolarHBondContact O-N 3.26Å; R59-E61 VanDerWaalsContact C-N 3.25Å; R59-E61 PolarHBondContact O-N 3.26Å; E61-L1784 HydrophobicContact CB-CD1 4.32Å; E61-L1784 HydrophobicContact CG-CD2 4.34Å
62S74.6Confident79.5Confident25 Ų2548.9 Ų48.918%0.17528%0.283CS..SBendtrans-140.665.7-172.753.80000113.2I58 R59 T60 F550I58-S62 PolarHBondContact O-N 3.15Å; I58-S62 PolarHBondContact O-OG 3.18Å; R59-S62 PolarHBondContact NH1-O 3.31Å; R59-S62 CarbonylContact O-C 3.56Å; R59-S62 VanDerWaalsContact O-C 3.31Å; R59-S62 PolarHBondContact O-N 3.07Å; T60-S62 VanDerWaalsContact C-N 3.31Å; S62-F550 VanDerWaalsContact OG-CD2 3.23Å; S62-F550 WeakPolarHBondContact OG-CD2 3.17Å
63P77.4Confident79.6Confident90 Ų9051.3 Ų51.358%0.58429%0.292SS*.PPolyproline II helixtrans-67.7154.2178.429.7-36.1000112.7
64P77.5Confident79.7Confident42 Ų4247.4 Ų47.427%0.27327%0.273SS..PPolyproline II helixtrans-72.2137.8174.330.8-34000111.2D548 I629P64-D548 HydrophobicContact CB-CB 4.24Å; P64-I629 HydrophobicContact CG-CD1 3.97Å
65V78.4Confident80.1Confident83 Ų8344.8 Ų44.850%0.50326%0.26SS..EExtended strand (participates in β ladder)trans-100.7134.2-179.2-179.40000109.9K546 K547V65-K546 CarbonylContact O-C 3.55Å; V65-K546 WeakPolarHBondContact O-CA 3.32Å; V65-K547 PolarHBondContact N-O 3.17Å; V65-K547 PolarHBondContact O-N 3.34Å
66N76.3Confident80.6Confident81 Ų8145.5 Ų45.543%0.43326%0.264SS..EExtended strand (participates in β ladder)trans-83.9124.8171.5-62.9-24.7000109.5K546N66-K546 WeakPolarHBondContact OD1-CE 3.44Å; N66-K546 WeakPolarHBondContact OD1-CG 3.44Å
67E77Confident80.9Confident72 Ų7243.9 Ų43.934%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-104.9135.2173.6-65.6-85.4-15600108.9C544 Y545 K547E67-C544 CarbonylContact O-C 3.51Å; E67-C544 VanDerWaalsContact O-CA 3.28Å; E67-C544 WeakPolarHBondContact O-CA 3.46Å; E67-C544 VanDerWaalsContact O-CB 3.23Å; E67-C544 WeakPolarHBondContact O-CB 3.45Å; E67-Y545 HydrophobicContact CB-CD1 4.2Å; E67-Y545 HydrophobicContact CB-CD2 4.17Å; E67-Y545 HydrophobicContact CB-CE1 3.8Å; E67-Y545 HydrophobicContact CB-CE2 3.75Å; E67-Y545 HydrophobicContact CB-CG 4.36Å; E67-Y545 HydrophobicContact CG-CD2 4.4Å; E67-Y545 HydrophobicContact CG-CE1 4.49Å; E67-Y545 HydrophobicContact CG-CE2 3.68Å; E67-Y545 PolarHBondContact N-O 2.94Å; E67-Y545 PolarHBondContact O-N 3.37Å; E67-K547 HydrophobicContact CG-CB 4.03Å
68N78Confident81.3Confident114 Ų11442.2 Ų42.261%0.6124%0.235SC*.  trans-71.5177.4-178.4-73.2-19.9000112.6C70N68-C70 PolarHBondContact O-N 2.86Å
69T80.1Confident81.8Confident47 Ų4742.2 Ų42.229%0.28824%0.235SC..  trans-50.9138.7166.637.60000110.8S99T69-S99 WeakPolarHBondContact O-CA 3.31Å; T69-S99 PolarHBondContact OG1-O 2.84Å
70C84.3Confident81.8Confident4 Ų441.9 Ų41.93%0.02723%0.234CC..BIsolated β-bridgetrans-120.1110-178.91750000110.7N68 C97 P465 P541 T542N68-C70 PolarHBondContact O-N 2.86Å; C70-C97 HydrophobicContact CB-CB 3.6Å; C70-C97 WeakPolarHBondContact CB-SG 3.44Å; C70-C97 WeakPolarHBondContact SG-CA 3.31Å; C70-C97 WeakPolarHBondContact SG-CB 3.17Å; C70-C97 CovalentContact SG-SG 2.03Å; C70-C97 PolarHBondContact SG-SG 3.49Å; C70-P465 HydrophobicContact CB-CG 4.36Å; C70-P541 VanDerWaalsContact O-CA 3.25Å; C70-P541 WeakPolarHBondContact O-CA 3.41Å; C70-T542 WeakPolarHBondContact CB-OG1 3.42Å; C70-T542 PolarHBondContact N-O 3.19Å; C70-T542 PolarHBondContact O-N 2.95Å
71H84.5Confident81.7Confident12 Ų1237.1 Ų37.16%0.05621%0.206CC..BIsolated β-bridgetrans-104.8128.6164.2-61.5-104.8000108.9H98 D101H71-H98 PolarHBondContact N-O 3.05Å; H71-H98 PolarHBondContact O-N 3.43Å; H71-D101 HydrophobicContact CB-CB 4.23Å; H71-D101 IonicContact CE1-OD2 3.53Å; H71-D101 IonicContact CG-OD2 3.61Å; H71-D101 VanDerWaalsContact ND1-CB 3.29Å; H71-D101 WeakPolarHBondContact ND1-CB 3.38Å; H71-D101 IonicContact ND1-OD2 3.38Å; H71-D101 PolarHBondContact ND1-OD2 3.29Å
72V84.7Confident82Confident4 Ų432.9 Ų32.92%0.02419%0.186CC..PPolyproline II helixtrans-97.9141.4172.1-175.10000108.7K538 F539V72-K538 PolarHBondContact O-NZ 3.03Å; V72-F539 HydrophobicContact CB-CB 4.09Å; V72-F539 HydrophobicContact CB-CD2 3.93Å; V72-F539 HydrophobicContact CB-CG 4.16Å; V72-F539 HydrophobicContact CG1-CD2 3.82Å; V72-F539 HydrophobicContact CG1-CE2 4.14Å; V72-F539 HydrophobicContact CG1-CG 4.5Å; V72-F539 HydrophobicContact CG2-CB 4.23Å; V72-F539 HydrophobicContact CG2-CD2 4.32Å; V72-F539 HydrophobicContact CG2-CG 4.19Å
73R82.3Confident82.3Confident52 Ų5235.2 Ų35.220%0.19619%0.194CC..PPolyproline II helixtrans-63.9149.4175.8-162.8173.6-168.8-179.23110.8N92 P102 C166R73-N92 VanDerWaalsContact C-ND2 3.33Å; R73-N92 PolarHBondContact O-ND2 2.82Å; R73-P102 HydrophobicContact CB-CG 3.9Å; R73-P102 HydrophobicContact CG-CG 4.05Å; R73-C166 PolarHBondContact NH1-O 3.5Å; R73-C166 PolarHBondContact NH2-O 3.04Å
74S85Confident82.5Confident15 Ų1531.4 Ų31.411%0.10517%0.169CC..PPolyproline II helixtrans-63.2154177.6560000114N92 D103 Q536S74-N92 PolarHBondContact O-ND2 3.03Å; S74-D103 VanDerWaalsContact CB-OD2 3.23Å; S74-D103 WeakPolarHBondContact CB-OD2 3.41Å; S74-D103 PolarHBondContact N-OD2 3.42Å; S74-D103 VanDerWaalsContact OG-CG 3.28Å; S74-D103 PolarHBondContact OG-OD1 3.3Å; S74-D103 PolarHBondContact OG-OD2 3.37Å; S74-Q536 VanDerWaalsContact CB-CD 3.4Å; S74-Q536 PolarHBondContact OG-NE2 2.77Å
75I87.1Confident82.9Confident3 Ų329.6 Ų29.62%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-121.8127.1-178.2-56.5162.8000108Y95 L477 Q536 M537 F539I75-Y95 HydrophobicContact CD1-CD1 3.77Å; I75-Y95 HydrophobicContact CD1-CE1 3.34Å; I75-Y95 HydrophobicContact CG1-CD1 4.33Å; I75-Y95 HydrophobicContact CG1-CE1 3.92Å; I75-L477 HydrophobicContact CD1-CD1 4.37Å; I75-L477 HydrophobicContact CD1-CD2 3.87Å; I75-Q536 CarbonylContact O-C 3.49Å; I75-Q536 WeakPolarHBondContact O-CA 3.42Å; I75-M537 HydrophobicContact CB-CB 4.13Å; I75-M537 PolarHBondContact N-O 3.09Å; I75-M537 PolarHBondContact O-N 3.13Å; I75-F539 HydrophobicContact CD1-CE2 4.02Å
76N87.6Confident83.2Confident16 Ų1627.7 Ų27.79%0.08614%0.144CC..EExtended strand (participates in β ladder)trans-93.8139.9-178.8-60.3-38.5000110.4M80 S84 S88 R251 Q536N76-M80 HydrophobicContact CB-CB 3.96Å; N76-M80 HydrophobicContact CB-CG 4.13Å; N76-S84 WeakPolarHBondContact CB-O 3.25Å; N76-S84 PolarHBondContact ND2-O 2.98Å; N76-S88 PolarHBondContact N-OG 3.17Å; N76-S88 PolarHBondContact O-OG 2.94Å; N76-R251 PolarHBondContact O-NH2 2.85Å; N76-Q536 PolarHBondContact OD1-NE2 3.29Å
77L89.5Confident83.4Confident2 Ų225.9 Ų25.91%0.0113%0.133CC..  trans-91.8165.6171-62.7-179.6000110.1T79 M80 L482 D486 K535 M537 L1588L77-T79 PolarHBondContact O-N 3.18Å; L77-T79 VanDerWaalsContact O-N 3.08Å; L77-M80 WeakPolarHBondContact O-CB 2.96Å; L77-M80 PolarHBondContact O-N 2.79Å; L77-L482 HydrophobicContact CD2-CB 4.1Å; L77-D486 HydrophobicContact CD1-CB 4.24Å; L77-K535 HydrophobicContact CB-CB 4.34Å; L77-K535 HydrophobicContact CD1-CB 3.91Å; L77-K535 HydrophobicContact CG-CB 4.5Å; L77-K535 PolarHBondContact N-O 2.87Å; L77-M537 HydrophobicContact CD1-CE 4.25Å; L77-M537 HydrophobicContact CD1-CG 4.26Å; L77-M537 HydrophobicContact CD2-CG 4.45Å; L77-M537 HydrophobicContact CG-CG 4.36Å; L77-L1588 HydrophobicContact CD1-CD1 3.97Å; L77-L1588 HydrophobicContact CD1-CD2 4.09Å
78P86.6Confident83.6Confident8 Ų822.8 Ų22.85%0.05212%0.119CC..G310 helixtrans-54.1-31.9-175.6-28.535.8000114.5M80 G81 Y85 D483 L487P78-M80 PolarHBondContact O-N 2.67Å; P78-M80 VanDerWaalsContact O-N 3.12Å; P78-G81 PolarHBondContact O-N 3.41Å; P78-Y85 HydrophobicContact CB-CD1 4.47Å; P78-Y85 HydrophobicContact CB-CE1 4.46Å; P78-Y85 HydrophobicContact CG-CD1 4.48Å; P78-Y85 HydrophobicContact CG-CD2 4.16Å; P78-Y85 HydrophobicContact CG-CE1 4.14Å; P78-Y85 HydrophobicContact CG-CE2 3.79Å; P78-D483 WeakPolarHBondContact CD-OD1 3.09Å; P78-D483 HydrophobicContact CG-CB 4.05Å; P78-L487 HydrophobicContact CB-CD1 4.21Å; P78-L487 HydrophobicContact CB-CD2 3.93Å; P78-L487 HydrophobicContact CB-CG 4.09Å; P78-L487 HydrophobicContact CG-CD1 3.94Å; P78-L487 HydrophobicContact CG-CD2 4.48Å; P78-L487 HydrophobicContact CG-CG 4.1Å
79T85.9Confident83.8Confident8 Ų818 Ų185%0.0499%0.093CC..G310 helixtrans-61.3-16.8176.145.40000115.2L77 G81 D486 N490 K535L77-T79 PolarHBondContact O-N 3.18Å; L77-T79 VanDerWaalsContact O-N 3.08Å; T79-G81 PolarHBondContact O-N 3.47Å; T79-D486 WeakPolarHBondContact CB-OD2 3.37Å; T79-D486 WeakPolarHBondContact CG2-OD2 3.36Å; T79-D486 PolarHBondContact OG1-OD2 2.78Å; T79-N490 WeakPolarHBondContact CG2-ND2 3.43Å; T79-K535 PolarHBondContact OG1-N 3.21Å; T79-K535 VanDerWaalsContact OG1-N 3.12Å
80M82.2Confident83.7Confident1 Ų117.7 Ų17.71%0.0059%0.091CC..G310 helixtrans-76.32.1173.3-158.466.189.900113.1N76 L77 P78 Q536 P1567 P1568 Y1571N76-M80 HydrophobicContact CB-CB 3.96Å; N76-M80 HydrophobicContact CB-CG 4.13Å; L77-M80 WeakPolarHBondContact O-CB 2.96Å; L77-M80 PolarHBondContact O-N 2.79Å; P78-M80 PolarHBondContact O-N 2.67Å; P78-M80 VanDerWaalsContact O-N 3.12Å; M80-Q536 HydrophobicContact CE-CB 3.66Å; M80-Q536 HydrophobicContact CE-CG 4.46Å; M80-P1567 HydrophobicContact CG-CB 4.37Å; M80-P1567 VanDerWaalsContact O-CA 3.23Å; M80-P1567 WeakPolarHBondContact O-CA 3.28Å; M80-P1567 WeakPolarHBondContact O-CB 3.46Å; M80-P1567 HydrophobicContact SD-CB 4.46Å; M80-P1568 HydrophobicContact SD-CG 4.19Å; M80-Y1571 HydrophobicContact CE-CD2 3.82Å; M80-Y1571 HydrophobicContact CE-CG 3.81Å; M80-Y1571 HydrophobicContact SD-CG 4.34Å
81G80.1Confident83.3Confident6 Ų617.8 Ų17.86%0.0629%0.092CC..  trans87.2149.1-176.300000112.3P78 T79 F83 S84 Y85 S1565P78-G81 PolarHBondContact O-N 3.41Å; T79-G81 PolarHBondContact O-N 3.47Å; G81-F83 VanDerWaalsContact C-N 3.32Å; G81-F83 PolarHBondContact O-N 3.16Å; G81-S84 PolarHBondContact O-N 2.85Å; G81-Y85 WeakPolarHBondContact O-CB 3.49Å; G81-Y85 PolarHBondContact O-N 3.28Å; G81-S1565 CarbonylContact C-O 3.45Å
82L83.5Confident83Confident5 Ų517.6 Ų17.63%0.0269%0.092CC..Hα-helixtrans-57.2-39.8-168.1-175.369.2000113.2Y85 L86 P279 L282 L283 F1561 S1565L82-Y85 HydrophobicContact CD1-CD1 4.39Å; L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CG 4.14Å; L82-L86 HydrophobicContact CD2-CD1 4.4Å; L82-L86 HydrophobicContact CG-CD1 3.84Å; L82-L86 HydrophobicContact CG-CG 4.29Å; L82-L86 WeakPolarHBondContact O-CB 3.29Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.22Å; L82-P279 HydrophobicContact CD1-CB 4.08Å; L82-L282 HydrophobicContact CB-CD1 4.26Å; L82-L282 HydrophobicContact CD2-CB 3.9Å; L82-L283 HydrophobicContact CD1-CG 4.38Å; L82-L283 HydrophobicContact CD2-CD2 4.11Å; L82-L283 HydrophobicContact CD2-CG 4.21Å; L82-F1561 HydrophobicContact CD2-CE2 3.7Å; L82-F1561 HydrophobicContact CD2-CZ 3.87Å; L82-S1565 PolarHBondContact N-O 3.38Å
83F81.3Confident82.6Confident74 Ų7418.4 Ų18.433%0.32510%0.095SC..Hα-helixtrans-66.9-49.8-179.4-69.7-45.8000112.2G81 Y85 L86 Q87 F114 F1561 S1565G81-F83 VanDerWaalsContact C-N 3.32Å; G81-F83 PolarHBondContact O-N 3.16Å; F83-Y85 VanDerWaalsContact C-N 3.28Å; F83-Y85 PolarHBondContact O-N 3.03Å; F83-L86 PolarHBondContact O-N 3.44Å; F83-Q87 VanDerWaalsContact O-CB 3.27Å; F83-Q87 WeakPolarHBondContact O-CB 2.76Å; F83-Q87 PolarHBondContact O-N 3.28Å; F83-F114 HydrophobicContact CB-CZ 3.88Å; F83-F114 HydrophobicContact CD2-CE1 4.21Å; F83-F114 HydrophobicContact CD2-CZ 4.16Å; F83-F114 HydrophobicContact CG-CZ 4.36Å; F83-F1561 HydrophobicContact CE1-CE1 4.2Å; F83-F1561 HydrophobicContact CE1-CZ 4.45Å; F83-F1561 AromaticContact CZ-CE1 3.85Å; F83-F1561 HydrophobicContact CZ-CE1 3.85Å; F83-F1561 HydrophobicContact CZ-CZ 4.46Å; F83-S1565 WeakPolarHBondContact CD2-OG 3.39Å; F83-S1565 WeakPolarHBondContact CE2-OG 3.43Å; F83-S1565 PolarHBondContact N-O 3.29Å
84S80.9Confident82.2Confident10 Ų1017.4 Ų17.47%0.079%0.093CC..Hα-helixtrans-64.1-34.5179-590000112.1N76 G81 S88N76-S84 WeakPolarHBondContact CB-O 3.25Å; N76-S84 PolarHBondContact ND2-O 2.98Å; G81-S84 PolarHBondContact O-N 2.85Å; S84-S88 PolarHBondContact O-N 3.3Å
85Y86Confident82Confident4 Ų417 Ų172%0.0169%0.089CC..Hα-helixtrans-66.1-53.9173.5172.8-129.9000112P78 G81 L82 F83 Q87 S88 I89 L255 P279P78-Y85 HydrophobicContact CB-CD1 4.47Å; P78-Y85 HydrophobicContact CB-CE1 4.46Å; P78-Y85 HydrophobicContact CG-CD1 4.48Å; P78-Y85 HydrophobicContact CG-CD2 4.16Å; P78-Y85 HydrophobicContact CG-CE1 4.14Å; P78-Y85 HydrophobicContact CG-CE2 3.79Å; G81-Y85 WeakPolarHBondContact O-CB 3.49Å; G81-Y85 PolarHBondContact O-N 3.28Å; L82-Y85 HydrophobicContact CD1-CD1 4.39Å; F83-Y85 VanDerWaalsContact C-N 3.28Å; F83-Y85 PolarHBondContact O-N 3.03Å; Y85-Q87 VanDerWaalsContact C-N 3.34Å; Y85-Q87 PolarHBondContact O-N 3.13Å; Y85-S88 WeakPolarHBondContact O-CB 3.4Å; Y85-S88 PolarHBondContact O-N 3.35Å; Y85-S88 VanDerWaalsContact O-N 3.07Å; Y85-S88 PolarHBondContact O-OG 3.23Å; Y85-I89 HydrophobicContact CD2-CD1 4.19Å; Y85-I89 HydrophobicContact CE1-CD1 4.15Å; Y85-I89 HydrophobicContact CE2-CD1 3.77Å; Y85-I89 HydrophobicContact CE2-CG1 4.38Å; Y85-I89 PolarHBondContact O-N 3.04Å; Y85-L255 HydrophobicContact CD1-CD1 4.39Å; Y85-L255 HydrophobicContact CE1-CD1 3.47Å; Y85-L255 VanDerWaalsContact CE1-CD1 3.47Å; Y85-P279 HydrophobicContact CE1-CB 4.2Å
86L83.7Confident81.5Confident44 Ų4419.6 Ų19.623%0.2310%0.099CC..Hα-helixtrans-59.9-41.1176.8-73173.8000112.4L82 F83 S88 I89 V90 L255L82-L86 HydrophobicContact CD1-CD1 4.07Å; L82-L86 HydrophobicContact CD1-CG 4.14Å; L82-L86 HydrophobicContact CD2-CD1 4.4Å; L82-L86 HydrophobicContact CG-CD1 3.84Å; L82-L86 HydrophobicContact CG-CG 4.29Å; L82-L86 WeakPolarHBondContact O-CB 3.29Å; L82-L86 VanDerWaalsContact O-CG 3.29Å; L82-L86 WeakPolarHBondContact O-CG 3.44Å; L82-L86 PolarHBondContact O-N 3.22Å; F83-L86 PolarHBondContact O-N 3.44Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.83Å; L86-I89 WeakPolarHBondContact O-CB 3.45Å; L86-I89 PolarHBondContact O-N 3.26Å; L86-I89 VanDerWaalsContact O-N 3.09Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 2.74Å; L86-L255 HydrophobicContact CD2-CD1 4.5Å; L86-L255 HydrophobicContact CD2-CD2 4.38Å
87Q81Confident81.2Confident42 Ų4221.7 Ų21.720%0.19611%0.114CC..Hα-helixtrans-57.3-40.7174.4-170.5-175.140.800111.2F83 Y85 I89 V90 C91 I165F83-Q87 VanDerWaalsContact O-CB 3.27Å; F83-Q87 WeakPolarHBondContact O-CB 2.76Å; F83-Q87 PolarHBondContact O-N 3.28Å; Y85-Q87 VanDerWaalsContact C-N 3.34Å; Y85-Q87 PolarHBondContact O-N 3.13Å; Q87-I89 PolarHBondContact O-N 3.09Å; Q87-V90 PolarHBondContact O-N 3.39Å; Q87-C91 WeakPolarHBondContact O-CB 3.24Å; Q87-C91 PolarHBondContact O-N 3.39Å; Q87-C91 PolarHBondContact O-SG 3.48Å; Q87-I165 PolarHBondContact NE2-O 3.27Å
88S81.9Confident80.6Confident7 Ų723.7 Ų23.75%0.04912%0.123CC..Hα-helixtrans-67.5-33.1176.679.40000113.5N76 S84 Y85 L86 N92 R251N76-S88 PolarHBondContact N-OG 3.17Å; N76-S88 PolarHBondContact O-OG 2.94Å; S84-S88 PolarHBondContact O-N 3.3Å; Y85-S88 WeakPolarHBondContact O-CB 3.4Å; Y85-S88 PolarHBondContact O-N 3.35Å; Y85-S88 VanDerWaalsContact O-N 3.07Å; Y85-S88 PolarHBondContact O-OG 3.23Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.83Å; S88-N92 PolarHBondContact O-N 2.96Å; S88-R251 PolarHBondContact OG-NH1 3.43Å
89I81.4Confident80Confident13 Ų1326.7 Ų26.77%0.06714%0.144CC..Hα-helixtrans-69.4-39.3175.6-65.8169.4000111Y85 L86 Q87 R251 L252Y85-I89 HydrophobicContact CD2-CD1 4.19Å; Y85-I89 HydrophobicContact CE1-CD1 4.15Å; Y85-I89 HydrophobicContact CE2-CD1 3.77Å; Y85-I89 HydrophobicContact CE2-CG1 4.38Å; Y85-I89 PolarHBondContact O-N 3.04Å; L86-I89 WeakPolarHBondContact O-CB 3.45Å; L86-I89 PolarHBondContact O-N 3.26Å; L86-I89 VanDerWaalsContact O-N 3.09Å; Q87-I89 PolarHBondContact O-N 3.09Å; I89-R251 HydrophobicContact CD1-CB 4.18Å; I89-R251 HydrophobicContact CG1-CB 3.98Å; I89-R251 HydrophobicContact CG2-CB 4.39Å; I89-L252 HydrophobicContact CG2-CB 3.73Å; I89-L252 HydrophobicContact CG2-CD1 4.02Å; I89-L252 HydrophobicContact CG2-CG 4.45Å
90V78.2Confident79.4Confident41 Ų4132.1 Ų32.125%0.24817%0.172CC..Hα-helixtrans-87.2-30.7-173.7175.40000113.1L86 Q87 F93 I165 L176L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 2.74Å; Q87-V90 PolarHBondContact O-N 3.39Å; V90-F93 VanDerWaalsContact O-CD1 3.31Å; V90-F93 WeakPolarHBondContact O-CD1 3.29Å; V90-F93 VanDerWaalsContact O-CE1 3.27Å; V90-F93 WeakPolarHBondContact O-CE1 3.49Å; V90-I165 HydrophobicContact CG1-CG2 4.35Å; V90-L176 HydrophobicContact CG1-CD2 3.79Å
91C75.7Confident79.1Confident7 Ų732.6 Ų32.65%0.04717%0.174CC..Hα-helixtrans-105.5-12.8-170.3-61.60000115.9Q87 C166Q87-C91 WeakPolarHBondContact O-CB 3.24Å; Q87-C91 PolarHBondContact O-N 3.39Å; Q87-C91 PolarHBondContact O-SG 3.48Å; C91-C166 VanDerWaalsContact CA-SG 3.58Å; C91-C166 HydrophobicContact CB-CB 3.69Å; C91-C166 WeakPolarHBondContact CB-SG 3.31Å; C91-C166 WeakPolarHBondContact SG-CA 3.45Å; C91-C166 WeakPolarHBondContact SG-CB 3.39Å; C91-C166 CovalentContact SG-SG 2.03Å; C91-C166 PolarHBondContact SG-SG 2.86Å
92N78.6Confident78.6Confident8 Ų834.5 Ų34.54%0.04319%0.186CC..  trans-14255.4-171.5-172.116000111.1R73 S74 S88 Y95 D175R73-N92 VanDerWaalsContact C-ND2 3.33Å; R73-N92 PolarHBondContact O-ND2 2.82Å; S74-N92 PolarHBondContact O-ND2 3.03Å; S88-N92 PolarHBondContact O-N 2.96Å; N92-Y95 WeakPolarHBondContact O-CD1 3.33Å; N92-Y95 WeakPolarHBondContact O-CE1 3.25Å; N92-D175 WeakPolarHBondContact CA-OD2 3.2Å
93F76Confident78Confident21 Ų2136.1 Ų36.19%0.09220%0.195CC..SBendtrans-103.9-4.4-177.862.7-102.5000114.2V90 D175 L176 L179 Y248 V469V90-F93 VanDerWaalsContact O-CD1 3.31Å; V90-F93 WeakPolarHBondContact O-CD1 3.29Å; V90-F93 VanDerWaalsContact O-CE1 3.27Å; V90-F93 WeakPolarHBondContact O-CE1 3.49Å; F93-D175 HydrophobicContact CD1-CB 4.06Å; F93-D175 HydrophobicContact CD2-CB 4.45Å; F93-D175 HydrophobicContact CE1-CB 3.88Å; F93-D175 HydrophobicContact CE2-CB 4.3Å; F93-D175 HydrophobicContact CG-CB 4.34Å; F93-D175 HydrophobicContact CZ-CB 4Å; F93-D175 PolarHBondContact N-OD2 3.28Å; F93-D175 VanDerWaalsContact N-OD2 3.11Å; F93-L176 HydrophobicContact CE1-CB 4.26Å; F93-L179 HydrophobicContact CE2-CB 4.44Å; F93-L179 HydrophobicContact CE2-CD1 4.14Å; F93-L179 HydrophobicContact CZ-CB 3.92Å; F93-L179 HydrophobicContact CZ-CD1 4.32Å; F93-L179 HydrophobicContact CZ-CD2 4.14Å; F93-L179 HydrophobicContact CZ-CG 4.35Å; F93-Y248 HydrophobicContact CD2-CD1 4.32Å; F93-Y248 HydrophobicContact CD2-CG 4.09Å; F93-Y248 HydrophobicContact CE2-CG 4.44Å; F93-V469 WeakPolarHBondContact O-CG2 3.35Å
94L73.5Confident77Confident31 Ų3135.4 Ų35.416%0.16220%0.199CC..SBendtrans-108.3-8.3174.1-55.9171.9000112.3R96 D175 Y248L94-R96 VanDerWaalsContact C-N 3.28Å; L94-R96 HydrophobicContact CB-CG 3.99Å; L94-R96 VanDerWaalsContact CD1-CZ 3.44Å; L94-R96 PolarHBondContact O-N 3.39Å; L94-D175 WeakPolarHBondContact CA-OD2 3.38Å; L94-D175 HydrophobicContact CB-CB 4.28Å; L94-D175 WeakPolarHBondContact CB-OD2 3.39Å; L94-D175 HydrophobicContact CD1-CB 3.95Å; L94-D175 HydrophobicContact CG-CB 3.99Å; L94-D175 PolarHBondContact N-OD2 2.87Å; L94-Y248 HydrophobicContact CD2-CD1 3.37Å; L94-Y248 HydrophobicContact CD2-CD2 4.38Å; L94-Y248 HydrophobicContact CD2-CE1 3.14Å; L94-Y248 HydrophobicContact CD2-CE2 4.2Å; L94-Y248 HydrophobicContact CD2-CG 4.02Å
95Y81.8Confident75.6Confident6 Ų638.3 Ų38.32%0.02422%0.216CC..  trans5242.6176.3-51.7-59.5000113.4I75 N92 D175 N467 V469 T474 L477 T478 F539I75-Y95 HydrophobicContact CD1-CD1 3.77Å; I75-Y95 HydrophobicContact CD1-CE1 3.34Å; I75-Y95 HydrophobicContact CG1-CD1 4.33Å; I75-Y95 HydrophobicContact CG1-CE1 3.92Å; N92-Y95 WeakPolarHBondContact O-CD1 3.33Å; N92-Y95 WeakPolarHBondContact O-CE1 3.25Å; Y95-D175 PolarHBondContact N-OD2 2.78Å; Y95-N467 PolarHBondContact O-ND2 2.71Å; Y95-V469 HydrophobicContact CD2-CG2 3.57Å; Y95-V469 HydrophobicContact CE2-CG2 3.82Å; Y95-T474 HydrophobicContact CD2-CG2 3.66Å; Y95-T474 HydrophobicContact CE2-CG2 4.06Å; Y95-T474 HydrophobicContact CG-CG2 4.44Å; Y95-L477 HydrophobicContact CE2-CB 4.41Å; Y95-L477 WeakPolarHBondContact OH-CB 3.26Å; Y95-T478 HydrophobicContact CE2-CG2 3.83Å; Y95-F539 HydrophobicContact CD1-CE2 4.28Å; Y95-F539 HydrophobicContact CG-CE2 4.41Å
96R76.9Confident73.6Confident58 Ų5843 Ų4322%0.21925%0.25CC..  trans-64.8154.8-172.6-68.2-170.8-174.6131.1-7.2113.6L94 N174 D175 K178L94-R96 VanDerWaalsContact C-N 3.28Å; L94-R96 HydrophobicContact CB-CG 3.99Å; L94-R96 VanDerWaalsContact CD1-CZ 3.44Å; L94-R96 PolarHBondContact O-N 3.39Å; R96-N174 PolarHBondContact NH1-O 3.01Å; R96-D175 WeakPolarHBondContact CD-OD1 3.2Å; R96-D175 WeakPolarHBondContact CG-OD1 2.93Å; R96-D175 IonicContact CZ-OD1 3.87Å; R96-D175 VanDerWaalsContact CZ-OD1 3.25Å; R96-D175 IonicContact NE-OD1 3.15Å; R96-D175 PolarHBondContact NE-OD1 2.5Å; R96-D175 IonicContact NH1-OD1 3.96Å; R96-D175 PolarHBondContact NH1-OD1 2.95Å; R96-K178 VanDerWaalsContact NH2-CB 3.31Å; R96-K178 VanDerWaalsContact NH2-CG 3.26Å
97C79.6Confident71.4Confident59 Ų5949.7 Ų49.740%0.39928%0.28SS..  trans-80.5130169.2-66.60000111.4C70C70-C97 HydrophobicContact CB-CB 3.6Å; C70-C97 WeakPolarHBondContact CB-SG 3.44Å; C70-C97 WeakPolarHBondContact SG-CA 3.31Å; C70-C97 WeakPolarHBondContact SG-CB 3.17Å; C70-C97 CovalentContact SG-SG 2.03Å; C70-C97 PolarHBondContact SG-SG 3.49Å
98H77.9Confident69.1Low44 Ų4453.6 Ų53.620%0.20430%0.298CS..BIsolated β-bridgetrans-112.3145.9164.6-57.1-89.9000109H71 I100H71-H98 PolarHBondContact N-O 3.05Å; H71-H98 PolarHBondContact O-N 3.43Å; H98-I100 VanDerWaalsContact C-N 3.29Å; H98-I100 WeakPolarHBondContact CB-O 3.39Å; H98-I100 PolarHBondContact O-N 2.87Å
99S73.9Confident67.1Low71 Ų7158.6 Ų58.650%0.49732%0.319SS..SBendtrans-70.3-25-178.6470000114T69T69-S99 WeakPolarHBondContact O-CA 3.31Å; T69-S99 PolarHBondContact OG1-O 2.84Å
100I74.4Confident65.5Low123 Ų12361.2 Ų61.263%0.63133%0.333SS*.SBendtrans-123.9149.3179.3-58.1171.2000106.9H98 P102H98-I100 VanDerWaalsContact C-N 3.29Å; H98-I100 WeakPolarHBondContact CB-O 3.39Å; H98-I100 PolarHBondContact O-N 2.87Å; I100-P102 VanDerWaalsContact O-CD 3.31Å; I100-P102 WeakPolarHBondContact O-CD 3.45Å
101D74.6Confident64.1Low10 Ų1066.3 Ų66.35%0.05335%0.349CS..  trans-68.2116.6180-154.5-53.4000112.1H71 D103 S104 K538H71-D101 HydrophobicContact CB-CB 4.23Å; H71-D101 IonicContact CE1-OD2 3.53Å; H71-D101 IonicContact CG-OD2 3.61Å; H71-D101 VanDerWaalsContact ND1-CB 3.29Å; H71-D101 WeakPolarHBondContact ND1-CB 3.38Å; H71-D101 IonicContact ND1-OD2 3.38Å; H71-D101 PolarHBondContact ND1-OD2 3.29Å; D101-D103 PolarHBondContact O-N 2.9Å; D101-D103 PolarHBondContact OD1-N 3.27Å; D101-S104 PolarHBondContact O-N 3.2Å; D101-S104 PolarHBondContact O-OG 3.17Å; D101-K538 VanDerWaalsContact CG-NZ 3.33Å; D101-K538 IonicContact OD1-NZ 2.85Å; D101-K538 PolarHBondContact OD1-NZ 3.43Å; D101-K538 WeakPolarHBondContact OD2-CE 3.39Å; D101-K538 IonicContact OD2-NZ 2.83Å; D101-K538 PolarHBondContact OD2-NZ 3.06Å
102P69.9Low63.1Low47 Ų4766.6 Ų66.631%0.30535%0.35SS..THydrogen-bonded Turntrans-72.5-8.7-178.531.9-37.6000113.5R73 I100R73-P102 HydrophobicContact CB-CG 3.9Å; R73-P102 HydrophobicContact CG-CG 4.05Å; I100-P102 VanDerWaalsContact O-CD 3.31Å; I100-P102 WeakPolarHBondContact O-CD 3.45Å
103D71.2Confident62Low39 Ų3968.4 Ų68.421%0.20936%0.362CS..THydrogen-bonded Turntrans-105.43.9-179.1-54.7-54.6000113.1S74 D101 K538S74-D103 VanDerWaalsContact CB-OD2 3.23Å; S74-D103 WeakPolarHBondContact CB-OD2 3.41Å; S74-D103 PolarHBondContact N-OD2 3.42Å; S74-D103 VanDerWaalsContact OG-CG 3.28Å; S74-D103 PolarHBondContact OG-OD1 3.3Å; S74-D103 PolarHBondContact OG-OD2 3.37Å; D101-D103 PolarHBondContact O-N 2.9Å; D101-D103 PolarHBondContact OD1-N 3.27Å; D103-K538 IonicContact OD2-NZ 3.01Å; D103-K538 PolarHBondContact OD2-NZ 3.22Å
104S59.5Low61Low59 Ų5969.5 Ų69.541%0.41337%0.366SS..  trans-103.40.5-171.176.80000116.6D101D101-S104 PolarHBondContact O-N 3.2Å; D101-S104 PolarHBondContact O-OG 3.17Å
105T51Low60.1Low70 Ų7070.3 Ų70.343%0.42937%0.371SS..  trans-108.198.2-179.249.90000111.6Q107T105-Q107 PolarHBondContact O-N 2.87Å; T105-Q107 VanDerWaalsContact O-N 3.09Å
106S43.9Very low58.8Low104 Ų10473.6 Ų73.673%0.72739%0.388SS*.THydrogen-bonded Turntrans-68.2-1.6-179.750.90000115.5
107Q38.5Very low57.6Low184 Ų18475.5 Ų75.586%0.8640%0.398SS*.THydrogen-bonded Turntrans-135.22.4-172.5-70.3-175.1-2300115.7T105T105-Q107 PolarHBondContact O-N 2.87Å; T105-Q107 VanDerWaalsContact O-N 3.09Å
108Q33.3Very low56.2Low123 Ų12374 Ų7458%0.57539%0.386SS*.SBendtrans-139.1134.4-178.8-62-170.1-2.300113.9
109F39.6Very low54.9Low112 Ų11276.7 Ų76.749%0.49140%0.399SS..  trans70.656.3167-44.7-67.6000119.5K169F109-K169 HydrophobicContact CD1-CD 3.83Å; F109-K169 HydrophobicContact CD1-CG 4.09Å; F109-K169 HydrophobicContact CE1-CD 3.77Å
110N46.8Very low53.6Low69 Ų6978.7 Ų78.737%0.36940%0.403SS..  trans-120.852.5171.1-88-33.7000114.5T112N110-T112 PolarHBondContact O-N 2.84Å
111Y49.4Very low52.2Low148 Ų14874.4 Ų74.458%0.5838%0.383SS*.  trans-67.667.8173.2-69.7-77.6000112.6G167 K169Y111-G167 WeakPolarHBondContact O-CA 3.32Å; Y111-K169 HydrophobicContact CE2-CG 4.48Å
112T54.8Low50.8Low12 Ų1278.3 Ų78.37%0.07441%0.411CS..SBendtrans-105.7166.6-179.567.50000110.4N110 F114 D115N110-T112 PolarHBondContact O-N 2.84Å; T112-F114 PolarHBondContact O-N 3.27Å; T112-D115 PolarHBondContact O-N 2.92Å
113V55.2Low49.6Very low47 Ų4783.9 Ų83.929%0.28543%0.433SS..Hα-helixtrans-49.9-34.3176.5-166.90000112.6I116 F117 F164V113-I116 PolarHBondContact O-N 3.08Å; V113-F117 HydrophobicContact CG1-CD2 4.06Å; V113-F117 HydrophobicContact CG1-CE2 3.97Å; V113-F117 WeakPolarHBondContact O-CD2 3.35Å; V113-F117 PolarHBondContact O-N 3.36Å; V113-F117 VanDerWaalsContact O-N 3.17Å; V113-F164 HydrophobicContact CB-CZ 4.4Å; V113-F164 HydrophobicContact CG1-CZ 4.06Å; V113-F164 HydrophobicContact CG2-CD1 4.01Å; V113-F164 HydrophobicContact CG2-CE1 3.56Å; V113-F164 HydrophobicContact CG2-CE2 4.3Å; V113-F164 HydrophobicContact CG2-CZ 3.73Å
114F55Low48.1Very low43 Ų4388.9 Ų88.919%0.18946%0.46CS..Hα-helixtrans-67.8-32.7179.6-59.6-61.7000113.9F83 T112 F117 N118 L1517 L1566F83-F114 HydrophobicContact CB-CZ 3.88Å; F83-F114 HydrophobicContact CD2-CE1 4.21Å; F83-F114 HydrophobicContact CD2-CZ 4.16Å; F83-F114 HydrophobicContact CG-CZ 4.36Å; T112-F114 PolarHBondContact O-N 3.27Å; F114-F117 CarbonylContact O-C 3.59Å; F114-F117 PolarHBondContact O-N 2.71Å; F114-N118 PolarHBondContact O-N 3.21Å; F114-N118 PolarHBondContact O-ND2 2.78Å; F114-L1517 HydrophobicContact CB-CD1 3.8Å; F114-L1517 HydrophobicContact CD1-CD1 3.88Å; F114-L1517 HydrophobicContact CG-CD1 4.3Å; F114-L1517 WeakPolarHBondContact O-CD1 3.2Å; F114-L1566 HydrophobicContact CD1-CD2 4.05Å; F114-L1566 HydrophobicContact CE1-CD2 3.58Å; F114-L1566 HydrophobicContact CZ-CD2 4.46Å
115D54Low47Very low48 Ų4893.8 Ų93.826%0.25748%0.476SS..Hα-helixtrans-76.1-28.6178.8-825.9000111.6T112 N118 E119 Y1514T112-D115 PolarHBondContact O-N 2.92Å; D115-N118 PolarHBondContact O-N 3.16Å; D115-N118 PolarHBondContact OD1-ND2 2.97Å; D115-E119 PolarHBondContact O-N 2.78Å; D115-Y1514 WeakPolarHBondContact OD1-CE1 3.47Å
116I54.6Low46.6Very low75 Ų7595.7 Ų95.739%0.38549%0.493SS..Hα-helixtrans-66.6-41.1168.7-61.9168.8000110.4V113 N118 E119 L120 F164V113-I116 PolarHBondContact O-N 3.08Å; I116-N118 VanDerWaalsContact C-N 3.3Å; I116-N118 PolarHBondContact O-N 3.34Å; I116-E119 PolarHBondContact O-N 2.91Å; I116-L120 HydrophobicContact CG2-CD1 4.08Å; I116-L120 WeakPolarHBondContact O-CB 3.41Å; I116-L120 VanDerWaalsContact O-CG 3.3Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 3.23Å; I116-F164 HydrophobicContact CD1-CD2 4.2Å; I116-F164 HydrophobicContact CD1-CE2 3.73Å
117F53Low46.3Very low99 Ų9996 Ų9643%0.43449%0.492SS..Hα-helixtrans-66.5-28.3172-85.6-70.2000113.3V113 F114 T121 L1517V113-F117 HydrophobicContact CG1-CD2 4.06Å; V113-F117 HydrophobicContact CG1-CE2 3.97Å; V113-F117 WeakPolarHBondContact O-CD2 3.35Å; V113-F117 PolarHBondContact O-N 3.36Å; V113-F117 VanDerWaalsContact O-N 3.17Å; F114-F117 CarbonylContact O-C 3.59Å; F114-F117 PolarHBondContact O-N 2.71Å; F117-T121 WeakPolarHBondContact O-CG2 3.47Å; F117-T121 PolarHBondContact O-OG1 3.33Å; F117-L1517 HydrophobicContact CB-CD1 4.03Å; F117-L1517 HydrophobicContact CB-CD2 4.42Å; F117-L1517 HydrophobicContact CB-CG 4.35Å
118N49.9Very low45.8Very low26 Ų2694.6 Ų94.614%0.13949%0.49CS..Hα-helixtrans-72.2-48.8170.8-73.5-48.4000111.1F114 D115 I116 L120 T121 S122 S1516F114-N118 PolarHBondContact O-N 3.21Å; F114-N118 PolarHBondContact O-ND2 2.78Å; D115-N118 PolarHBondContact O-N 3.16Å; D115-N118 PolarHBondContact OD1-ND2 2.97Å; I116-N118 VanDerWaalsContact C-N 3.3Å; I116-N118 PolarHBondContact O-N 3.34Å; N118-L120 VanDerWaalsContact C-N 3.29Å; N118-L120 PolarHBondContact O-N 3.48Å; N118-T121 PolarHBondContact O-N 2.89Å; N118-T121 PolarHBondContact O-OG1 3.42Å; N118-S122 PolarHBondContact O-N 3.2Å; N118-S122 VanDerWaalsContact O-N 3.1Å; N118-S1516 PolarHBondContact OD1-OG 3.42Å
119E49.8Very low45.7Very low102 Ų10296 Ų9648%0.47750%0.502SS..Hα-helixtrans-58.7-38.2179-76.2-169.9132.900112.3D115 I116 T121 S122 K141D115-E119 PolarHBondContact O-N 2.78Å; I116-E119 PolarHBondContact O-N 2.91Å; E119-T121 PolarHBondContact O-N 2.79Å; E119-S122 PolarHBondContact O-OG 3.21Å; E119-K141 IonicContact OE1-NZ 2.72Å; E119-K141 PolarHBondContact OE1-NZ 3.48Å
120L48.4Very low45.3Very low112 Ų112100.7 Ų100.759%0.58652%0.518SS*.THydrogen-bonded Turntrans-65.6-2173.2-74.9167.7000114.7I116 N118I116-L120 HydrophobicContact CG2-CD1 4.08Å; I116-L120 WeakPolarHBondContact O-CB 3.41Å; I116-L120 VanDerWaalsContact O-CG 3.3Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 3.23Å; N118-L120 VanDerWaalsContact C-N 3.29Å; N118-L120 PolarHBondContact O-N 3.48Å
121T44.9Very low44.4Very low34 Ų34104 Ų10421%0.20954%0.535CS..THydrogen-bonded Turntrans-128.4-17.4-17563.10000114.4F117 N118 E119 E123 L1520F117-T121 WeakPolarHBondContact O-CG2 3.47Å; F117-T121 PolarHBondContact O-OG1 3.33Å; N118-T121 PolarHBondContact O-N 2.89Å; N118-T121 PolarHBondContact O-OG1 3.42Å; E119-T121 PolarHBondContact O-N 2.79Å; T121-E123 PolarHBondContact O-N 3.11Å; T121-L1520 HydrophobicContact CG2-CD1 3.51Å; T121-L1520 HydrophobicContact CG2-CD2 3.65Å; T121-L1520 HydrophobicContact CG2-CG 4.19Å
122S44.9Very low43.3Very low92 Ų92105.1 Ų105.164%0.64355%0.546SS*.THydrogen-bonded Turntrans-69.5-6.918041.90000115.2N118 E119N118-S122 PolarHBondContact O-N 3.2Å; N118-S122 VanDerWaalsContact O-N 3.1Å; E119-S122 PolarHBondContact O-OG 3.21Å
123E43.4Very low42.1Very low163 Ų163112.9 Ų112.976%0.76258%0.581SS**THydrogen-bonded Turntrans-85.8-3.9-178.5-61.9-170.9139.700114.5T121T121-E123 PolarHBondContact O-N 3.11Å
124N40.2Very low40.8Very low145 Ų145119.3 Ų119.378%0.77561%0.605SS**SBendtrans-120.64.7-167.9-80.3-46.9000117.2
125E36.4Very low39.4Very low161 Ų161124.2 Ų124.275%0.75263%0.634SS**SBendtrans-107.160.9-179.8-72-162152.300114.5
126S43.1Very low38.2Very low111 Ų111129.5 Ų129.578%0.77666%0.662SS**  trans67.7156160.273.90000118.8
127P36.6Very low37.1Very low109 Ų109132.8 Ų132.871%0.70868%0.679SS**  -139.9139.392.637.1-23.9000115.4
128N29.5Very low36.1Very low156 Ų156136.2 Ų136.283%0.83470%0.696SS**  trans-90.895.5140.7-90.80.2000106.3
129D31.1Very low35.3Very low152 Ų152145.1 Ų145.181%0.81373%0.729SS**  trans178.9148.4150.6-91.4-23.9000108.2
130Y30Very low34.4Very low211 Ų211146.4 Ų146.483%0.82774%0.739SS**  trans-116.6153.2-157.9-93.9-92.1000115.2
131N27.9Very low33.7Very low138 Ų138149 Ų14974%0.73875%0.746SS**  trans85.1145151.1-67.7-12.6000121.9
132E27Very low33.2Very low171 Ų171152 Ų15280%0.79976%0.764SS**  trans74.6141.8163.6-71.6172.8-162.800120.3
133H28.9Very low32.9Very low175 Ų175153.9 Ų153.981%0.8177%0.765SS**  trans57.765.3-179.4-66.5-69.1000118.9
134F28.1Very low32.4Very low182 Ų182151 Ų15180%0.79876%0.755SS**  trans-108.686.4152.3-102.7-86000111.4
135N26.8Very low32.4Very low147 Ų147149.6 Ų149.679%0.78674%0.742SS**  trans-130.2149157.3-88.5-25.2000107.6
136D28.5Very low32.5Very low158 Ų158143.8 Ų143.885%0.84573%0.726SS**  trans55.567.9172.2-61.7-23.7000118.7
137I31.9Very low32.5Very low145 Ų145144.5 Ų144.574%0.74472%0.72SS**  trans-137132.7143.8-88.3116.9000110.1Y139I137-Y139 PolarHBondContact O-N 3.46Å; I137-Y139 VanDerWaalsContact O-N 3.1Å
138H30.8Very low32.6Very low171 Ų171144.1 Ų144.179%0.79271%0.707SS**  trans-68.7103-177.4-80.4-68.3000113.4N140H138-N140 HydrophobicContact CB-CB 4.38Å; H138-N140 PolarHBondContact O-N 3.12Å
139Y33.5Very low33Very low213 Ų213141 Ų14184%0.83569%0.691SS**  trans-73.156.1159.4-95.7-89.3000112.1I137I137-Y139 PolarHBondContact O-N 3.46Å; I137-Y139 VanDerWaalsContact O-N 3.1Å
140N29.6Very low33.4Very low129 Ų129137.4 Ų137.469%0.6967%0.67SS**  trans-121.230.2179.8-129.5-3.1000112.5H138 T142H138-N140 HydrophobicContact CB-CB 4.38Å; H138-N140 PolarHBondContact O-N 3.12Å; N140-T142 VanDerWaalsContact C-N 3.34Å; N140-T142 PolarHBondContact O-N 3.32Å
141K35Very low33.6Very low166 Ų166132.4 Ų132.472%0.72266%0.662SS**  trans-80.982.9157.2-81.5-172.4178177.60109E119 I143E119-K141 IonicContact OE1-NZ 2.72Å; E119-K141 PolarHBondContact OE1-NZ 3.48Å; K141-I143 PolarHBondContact O-N 2.63Å
142T33.9Very low34.1Very low97 Ų97132.9 Ų132.960%0.59566%0.663SS**  trans-59.4132.4155.844.10000108.2N140 N144N140-T142 VanDerWaalsContact C-N 3.34Å; N140-T142 PolarHBondContact O-N 3.32Å; T142-N144 PolarHBondContact O-N 3.14Å
143I38.1Very low34.7Very low131 Ų131132.9 Ų132.967%0.67266%0.66SS**  trans-69.784.8173.3-59.3178.5000107.3K141 F145K141-I143 PolarHBondContact O-N 2.63Å; I143-F145 HydrophobicContact CG2-CD2 3.96Å; I143-F145 HydrophobicContact CG2-CE2 3.64Å; I143-F145 HydrophobicContact CG2-CZ 4.26Å; I143-F145 PolarHBondContact O-N 3.12Å
144N34.3Very low35.8Very low103 Ų103131.6 Ų131.655%0.55166%0.655SS**  trans-83.186-167.2-165.4-11.1000110T142 G146T142-N144 PolarHBondContact O-N 3.14Å; N144-G146 PolarHBondContact O-N 2.94Å; N144-G146 WeakPolarHBondContact OD1-CA 3.17Å; N144-G146 PolarHBondContact OD1-N 2.98Å; N144-G146 VanDerWaalsContact OD1-N 3.08Å
145F39Very low37Very low115 Ų115125.5 Ų125.550%0.50463%0.63SS.*G310 helixtrans-62.89.9170.7-80.1-73.9000113.9I143 I147 F148 L358I143-F145 HydrophobicContact CG2-CD2 3.96Å; I143-F145 HydrophobicContact CG2-CE2 3.64Å; I143-F145 HydrophobicContact CG2-CZ 4.26Å; I143-F145 PolarHBondContact O-N 3.12Å; F145-I147 PolarHBondContact O-N 2.65Å; F145-F148 HydrophobicContact CD1-CD2 4.08Å; F145-F148 HydrophobicContact CD1-CE2 4.33Å; F145-F148 PolarHBondContact O-N 3.05Å; F145-L358 HydrophobicContact CB-CD2 3.98Å
146G39.4Very low38.3Very low39 Ų39124.8 Ų124.840%0.40262%0.622SS.*G310 helixtrans-54.7-4.4172.300000116.2N144 F148 L358N144-G146 PolarHBondContact O-N 2.94Å; N144-G146 WeakPolarHBondContact OD1-CA 3.17Å; N144-G146 PolarHBondContact OD1-N 2.98Å; N144-G146 VanDerWaalsContact OD1-N 3.08Å; G146-F148 VanDerWaalsContact C-N 3.3Å; G146-L358 VanDerWaalsContact N-CD2 3.28Å
147I42.5Very low39.7Very low127 Ų127122.4 Ų122.465%0.65160%0.601SS**G310 helixtrans-73.6-21.4169.3-58.3176.7000111.7F145F145-I147 PolarHBondContact O-N 2.65Å
148F39.7Very low40.9Very low100 Ų100117.8 Ų117.844%0.43958%0.578SS.*G310 helixtrans-97.114.8-177.5-77-74.2000115.6F145 G146 I150 R367F145-F148 HydrophobicContact CD1-CD2 4.08Å; F145-F148 HydrophobicContact CD1-CE2 4.33Å; F145-F148 PolarHBondContact O-N 3.05Å; G146-F148 VanDerWaalsContact C-N 3.3Å; F148-I150 HydrophobicContact CD1-CD1 4.14Å; F148-I150 PolarHBondContact O-N 3.2Å; F148-R367 VanDerWaalsContact O-CZ 3.25Å; F148-R367 PolarHBondContact O-NH1 3.17Å; F148-R367 VanDerWaalsContact O-NH1 3.11Å
149N37.9Very low42.3Very low92 Ų92111.3 Ų111.349%0.49255%0.552SS.*  trans-77.372.3173.4-153.8-1.2000111.6T151N149-T151 PolarHBondContact O-N 3.4Å; N149-T151 VanDerWaalsContact O-N 3.13Å
150I38.6Very low43.7Very low75 Ų75104.2 Ų104.239%0.38553%0.533SS..  trans-79.991.7-173.7-59.3163.8000109.6F148F148-I150 HydrophobicContact CD1-CD1 4.14Å; F148-I150 PolarHBondContact O-N 3.2Å
151T34Very low45.5Very low107 Ų107100.2 Ų100.266%0.65651%0.511SS*.  trans-94.7147.9159.754.30000109.9N149 K153N149-T151 PolarHBondContact O-N 3.4Å; N149-T151 VanDerWaalsContact O-N 3.13Å; T151-K153 VanDerWaalsContact C-N 3.3Å; T151-K153 PolarHBondContact O-N 2.95Å
152I38.3Very low47.1Very low147 Ų14792.3 Ų92.375%0.75448%0.477SS*.SBendtrans-81.173.2-168.1-51.1-180000111.5Q154I152-Q154 HydrophobicContact CG2-CG 4.09Å
153K39.9Very low48.7Very low172 Ų17292.3 Ų92.375%0.74847%0.469SS*.  trans-11884.8160.6-77.3-177.6176.4175.60108.7T151 I155 H156T151-K153 VanDerWaalsContact C-N 3.3Å; T151-K153 PolarHBondContact O-N 2.95Å; K153-I155 PolarHBondContact O-N 3.29Å; K153-H156 PolarHBondContact O-N 3.2Å; K153-H156 VanDerWaalsContact O-N 3.11Å
154Q53.2Low50.2Low147 Ų14790.3 Ų90.369%0.68746%0.455SS*.Hα-helixtrans-50.4-30.9-157.3-66.3169.7-20.400116.2I152I152-Q154 HydrophobicContact CG2-CG 4.09Å
155I52.1Low51.9Low54 Ų5487.7 Ų87.728%0.27744%0.441SS..Hα-helixtrans-76-34.9-176.1-57-179.6000112.5K153 W157 L158 S159 K184 F188K153-I155 PolarHBondContact O-N 3.29Å; I155-W157 VanDerWaalsContact C-N 3.33Å; I155-W157 PolarHBondContact O-N 2.8Å; I155-L158 PolarHBondContact O-N 2.86Å; I155-S159 PolarHBondContact O-N 3.28Å; I155-K184 HydrophobicContact CD1-CB 4.34Å; I155-K184 HydrophobicContact CD1-CG 4.47Å; I155-K184 HydrophobicContact CG2-CB 4.16Å; I155-K184 HydrophobicContact CG2-CG 4.41Å; I155-F188 HydrophobicContact CD1-CD2 4.39Å
156H53.6Low53.5Low133 Ų13382.2 Ų82.262%0.61642%0.417SS*.Hα-helixtrans-69.2-32.7-179.1-107.5-83.6000112.4K153 S159 S160K153-H156 PolarHBondContact O-N 3.2Å; K153-H156 VanDerWaalsContact O-N 3.11Å; H156-S159 WeakPolarHBondContact O-CB 3.42Å; H156-S159 PolarHBondContact O-N 2.79Å; H156-S160 PolarHBondContact O-N 3.38Å; H156-S160 PolarHBondContact O-OG 3.08Å
157W59Low54.6Low107 Ų10780.4 Ų80.441%0.40540%0.398SS..Hα-helixtrans-60.6-47.4174.3173.970.2000111.9I155 S159 S160 L161 M371I155-W157 VanDerWaalsContact C-N 3.33Å; I155-W157 PolarHBondContact O-N 2.8Å; W157-S159 VanDerWaalsContact C-N 3.31Å; W157-S159 PolarHBondContact O-N 2.99Å; W157-S160 PolarHBondContact O-N 3.05Å; W157-L161 HydrophobicContact CH2-CD2 4.27Å; W157-L161 HydrophobicContact CZ2-CD1 4.39Å; W157-L161 HydrophobicContact CZ2-CD2 4.26Å; W157-L161 WeakPolarHBondContact O-CB 3.44Å; W157-L161 PolarHBondContact O-N 2.85Å; W157-M371 HydrophobicContact CZ2-SD 4.47Å
158L56.5Low55.7Low49 Ų4975.3 Ų75.326%0.25737%0.373SS..Hα-helixtrans-66-31.8178.5-70.6163.9000112.7I155 L161 S162 M180I155-L158 PolarHBondContact O-N 2.86Å; L158-L161 HydrophobicContact CD2-CD2 4.3Å; L158-S162 WeakPolarHBondContact O-CB 3.46Å; L158-S162 PolarHBondContact O-N 2.99Å; L158-M180 HydrophobicContact CB-CE 4.06Å; L158-M180 HydrophobicContact CB-CG 3.8Å; L158-M180 HydrophobicContact CB-SD 3.74Å; L158-M180 HydrophobicContact CD1-CE 3.86Å; L158-M180 HydrophobicContact CD1-SD 3.6Å; L158-M180 HydrophobicContact CD2-CE 4.2Å; L158-M180 HydrophobicContact CG-CE 4.25Å; L158-M180 HydrophobicContact CG-SD 4.21Å
159S60.2Low56.4Low35 Ų3576 Ų7625%0.24538%0.376CS..Hα-helixtrans-64.5-48.4171.8-173.70000111.7I155 H156 W157 L161 S162 K163 A171I155-S159 PolarHBondContact O-N 3.28Å; H156-S159 WeakPolarHBondContact O-CB 3.42Å; H156-S159 PolarHBondContact O-N 2.79Å; W157-S159 VanDerWaalsContact C-N 3.31Å; W157-S159 PolarHBondContact O-N 2.99Å; S159-L161 PolarHBondContact O-N 3.05Å; S159-S162 WeakPolarHBondContact O-CB 3.45Å; S159-S162 PolarHBondContact O-N 3.19Å; S159-S162 PolarHBondContact O-OG 3.24Å; S159-K163 PolarHBondContact O-N 3.45Å; S159-K163 VanDerWaalsContact O-N 3.15Å; S159-A171 WeakPolarHBondContact OG-CB 3.28Å
160S64Low57.4Low64 Ų6475 Ų7545%0.44837%0.373SS..Hα-helixtrans-63.2-38.8174.8-63.20000112.7H156 W157 S162 K163 F164H156-S160 PolarHBondContact O-N 3.38Å; H156-S160 PolarHBondContact O-OG 3.08Å; W157-S160 PolarHBondContact O-N 3.05Å; S160-S162 VanDerWaalsContact C-N 3.34Å; S160-S162 PolarHBondContact O-N 3.45Å; S160-K163 WeakPolarHBondContact O-CB 3.19Å; S160-K163 PolarHBondContact O-N 3.24Å; S160-F164 PolarHBondContact O-N 3.21Å
161L66.1Low58.4Low44 Ų4472.1 Ų72.123%0.2336%0.361CS..Hα-helixtrans-62.3-40.7173.7-16479000111.3W157 L158 S159 K163 F164 I165W157-L161 HydrophobicContact CH2-CD2 4.27Å; W157-L161 HydrophobicContact CZ2-CD1 4.39Å; W157-L161 HydrophobicContact CZ2-CD2 4.26Å; W157-L161 WeakPolarHBondContact O-CB 3.44Å; W157-L161 PolarHBondContact O-N 2.85Å; L158-L161 HydrophobicContact CD2-CD2 4.3Å; S159-L161 PolarHBondContact O-N 3.05Å; L161-K163 VanDerWaalsContact C-N 3.28Å; L161-K163 PolarHBondContact O-N 3.33Å; L161-F164 PolarHBondContact O-N 2.76Å; L161-I165 HydrophobicContact CD1-CD1 4.49Å; L161-I165 HydrophobicContact CD2-CD1 4.19Å; L161-I165 HydrophobicContact CG-CD1 3.86Å; L161-I165 WeakPolarHBondContact O-CG1 3.07Å; L161-I165 PolarHBondContact O-N 2.93Å
162S69.5Low59.6Low0 Ų071 Ų710%035%0.35CS..Hα-helixtrans-61.1-37.5174.5850000112.4L158 S159 S160 C166 N174L158-S162 WeakPolarHBondContact O-CB 3.46Å; L158-S162 PolarHBondContact O-N 2.99Å; S159-S162 WeakPolarHBondContact O-CB 3.45Å; S159-S162 PolarHBondContact O-N 3.19Å; S159-S162 PolarHBondContact O-OG 3.24Å; S160-S162 VanDerWaalsContact C-N 3.34Å; S160-S162 PolarHBondContact O-N 3.45Å; S162-C166 WeakPolarHBondContact O-CA 3.31Å; S162-C166 WeakPolarHBondContact O-CB 3.22Å; S162-C166 PolarHBondContact O-N 3.45Å; S162-C166 PolarHBondContact O-SG 3.31Å; S162-C166 VanDerWaalsContact O-SG 3.34Å; S162-N174 PolarHBondContact OG-ND2 2.85Å
163K67.4Low60.8Low98 Ų9868.6 Ų68.643%0.42634%0.339SS..Hα-helixtrans-66.2-45.6176.7177.4157.4178.6173.70111.4S159 S160 L161 G167 T168 K169S159-K163 PolarHBondContact O-N 3.45Å; S159-K163 VanDerWaalsContact O-N 3.15Å; S160-K163 WeakPolarHBondContact O-CB 3.19Å; S160-K163 PolarHBondContact O-N 3.24Å; L161-K163 VanDerWaalsContact C-N 3.28Å; L161-K163 PolarHBondContact O-N 3.33Å; K163-G167 PolarHBondContact O-N 3.41Å; K163-T168 WeakPolarHBondContact CG-O 3.16Å; K163-K169 WeakPolarHBondContact CE-O 3.5Å; K163-K169 PolarHBondContact NZ-O 3.34Å
164F68.4Low62.1Low88 Ų8860.5 Ų60.539%0.38630%0.304SS..Hα-helixtrans-62.1-43.1176.9-179.4-102.4000113.3V113 I116 S160 L161V113-F164 HydrophobicContact CB-CZ 4.4Å; V113-F164 HydrophobicContact CG1-CZ 4.06Å; V113-F164 HydrophobicContact CG2-CD1 4.01Å; V113-F164 HydrophobicContact CG2-CE1 3.56Å; V113-F164 HydrophobicContact CG2-CE2 4.3Å; V113-F164 HydrophobicContact CG2-CZ 3.73Å; I116-F164 HydrophobicContact CD1-CD2 4.2Å; I116-F164 HydrophobicContact CD1-CE2 3.73Å; S160-F164 PolarHBondContact O-N 3.21Å; L161-F164 PolarHBondContact O-N 2.76Å
165I70.7Confident62.9Low48 Ų4853.8 Ų53.825%0.24627%0.272CS..Hα-helixtrans-79.3-39.6-178.8-60.1172.8000111.6Q87 V90 L161Q87-I165 PolarHBondContact NE2-O 3.27Å; V90-I165 HydrophobicContact CG1-CG2 4.35Å; L161-I165 HydrophobicContact CD1-CD1 4.49Å; L161-I165 HydrophobicContact CD2-CD1 4.19Å; L161-I165 HydrophobicContact CG-CD1 3.86Å; L161-I165 WeakPolarHBondContact O-CG1 3.07Å; L161-I165 PolarHBondContact O-N 2.93Å
166C71.6Confident63.9Low0 Ų052.2 Ų52.20%026%0.264CS..Hα-helixtrans-101.5-8.8-168-520000115.6R73 C91 S162 T168 N174R73-C166 PolarHBondContact NH1-O 3.5Å; R73-C166 PolarHBondContact NH2-O 3.04Å; C91-C166 VanDerWaalsContact CA-SG 3.58Å; C91-C166 HydrophobicContact CB-CB 3.69Å; C91-C166 WeakPolarHBondContact CB-SG 3.31Å; C91-C166 WeakPolarHBondContact SG-CA 3.45Å; C91-C166 WeakPolarHBondContact SG-CB 3.39Å; C91-C166 CovalentContact SG-SG 2.03Å; C91-C166 PolarHBondContact SG-SG 2.86Å; S162-C166 WeakPolarHBondContact O-CA 3.31Å; S162-C166 WeakPolarHBondContact O-CB 3.22Å; S162-C166 PolarHBondContact O-N 3.45Å; S162-C166 PolarHBondContact O-SG 3.31Å; S162-C166 VanDerWaalsContact O-SG 3.34Å; C166-T168 PolarHBondContact O-N 3.46Å; C166-N174 HydrophobicContact CB-CB 3.94Å
167G63.8Low64.5Low1 Ų146.1 Ų46.11%0.0124%0.237CC..  trans82.6-4.4170.600000117.2Y111 K163Y111-G167 WeakPolarHBondContact O-CA 3.32Å; K163-G167 PolarHBondContact O-N 3.41Å
168T64.7Low64.8Low21 Ų2145.6 Ų45.613%0.12924%0.238CC..  trans-84.2138.5-169.3590000113.2K163 C166 T170 N174K163-T168 WeakPolarHBondContact CG-O 3.16Å; C166-T168 PolarHBondContact O-N 3.46Å; T168-T170 WeakPolarHBondContact CB-O 3.41Å; T168-T170 PolarHBondContact O-N 2.85Å; T168-T170 PolarHBondContact OG1-O 2.79Å; T168-N174 HydrophobicContact CG2-CB 4.19Å; T168-N174 PolarHBondContact OG1-ND2 3.17Å
169K55.6Low65.3Low115 Ų11544.6 Ų44.650%0.523%0.233SC..SBendtrans-58.6-32.2178.9-85.5-166.3173.5-174.20113.4F109 Y111 K163F109-K169 HydrophobicContact CD1-CD 3.83Å; F109-K169 HydrophobicContact CD1-CG 4.09Å; F109-K169 HydrophobicContact CE1-CD 3.77Å; Y111-K169 HydrophobicContact CE2-CG 4.48Å; K163-K169 WeakPolarHBondContact CE-O 3.5Å; K163-K169 PolarHBondContact NZ-O 3.34Å
170T58.6Low65.5Low71 Ų7144 Ų4444%0.43623%0.226SC..SBendtrans-122.6153.217655.30000111.4T168 L173T168-T170 WeakPolarHBondContact CB-O 3.41Å; T168-T170 PolarHBondContact O-N 2.85Å; T168-T170 PolarHBondContact OG1-O 2.79Å; T170-L173 WeakPolarHBondContact OG1-CD1 2.96Å
171A59.1Low65.4Low14 Ų1444 Ų4412%0.11622%0.219CC..G310 helixtrans-75.3-33.2-177.200000113S159 L173 N174S159-A171 WeakPolarHBondContact OG-CB 3.28Å; A171-L173 PolarHBondContact O-N 3.25Å; A171-L173 VanDerWaalsContact O-N 3.12Å; A171-N174 PolarHBondContact O-N 3.24Å; A171-N174 VanDerWaalsContact O-N 3.08Å
172N60.3Low65.3Low83 Ų8347.6 Ų47.644%0.44423%0.233SC..G310 helixtrans-64-19.1-176.8-54.455.1000113.6E181N172-E181 PolarHBondContact ND2-OE1 3.08Å; N172-E181 PolarHBondContact ND2-OE2 3.28Å
173L61.7Low64.7Low97 Ų9749.8 Ų49.851%0.50824%0.244SC..G310 helixtrans-87.8-6178-69.2178.5000114.1T170 A171T170-L173 WeakPolarHBondContact OG1-CD1 2.96Å; A171-L173 PolarHBondContact O-N 3.25Å; A171-L173 VanDerWaalsContact O-N 3.12Å
174N68.2Low64.1Low2 Ų251.2 Ų51.21%0.01125%0.251CS..SBendtrans-116.3158.3174.276.256.1000111.2R96 S162 C166 T168 A171 L176 G177 K178R96-N174 PolarHBondContact NH1-O 3.01Å; S162-N174 PolarHBondContact OG-ND2 2.85Å; C166-N174 HydrophobicContact CB-CB 3.94Å; T168-N174 HydrophobicContact CG2-CB 4.19Å; T168-N174 PolarHBondContact OG1-ND2 3.17Å; A171-N174 PolarHBondContact O-N 3.24Å; A171-N174 VanDerWaalsContact O-N 3.08Å; N174-L176 PolarHBondContact OD1-N 3.33Å; N174-G177 WeakPolarHBondContact OD1-CA 3.42Å; N174-G177 PolarHBondContact OD1-N 3.01Å; N174-K178 PolarHBondContact O-N 2.76Å
175D70.5Confident63.3Low5 Ų553.3 Ų53.33%0.02727%0.266CS..Hα-helixtrans-72.4-39.7-171.4-73.3-14.5000112.9N92 F93 L94 Y95 R96 L179N92-D175 WeakPolarHBondContact CA-OD2 3.2Å; F93-D175 HydrophobicContact CD1-CB 4.06Å; F93-D175 HydrophobicContact CD2-CB 4.45Å; F93-D175 HydrophobicContact CE1-CB 3.88Å; F93-D175 HydrophobicContact CE2-CB 4.3Å; F93-D175 HydrophobicContact CG-CB 4.34Å; F93-D175 HydrophobicContact CZ-CB 4Å; F93-D175 PolarHBondContact N-OD2 3.28Å; F93-D175 VanDerWaalsContact N-OD2 3.11Å; L94-D175 WeakPolarHBondContact CA-OD2 3.38Å; L94-D175 HydrophobicContact CB-CB 4.28Å; L94-D175 WeakPolarHBondContact CB-OD2 3.39Å; L94-D175 HydrophobicContact CD1-CB 3.95Å; L94-D175 HydrophobicContact CG-CB 3.99Å; L94-D175 PolarHBondContact N-OD2 2.87Å; Y95-D175 PolarHBondContact N-OD2 2.78Å; R96-D175 WeakPolarHBondContact CD-OD1 3.2Å; R96-D175 WeakPolarHBondContact CG-OD1 2.93Å; R96-D175 IonicContact CZ-OD1 3.87Å; R96-D175 VanDerWaalsContact CZ-OD1 3.25Å; R96-D175 IonicContact NE-OD1 3.15Å; R96-D175 PolarHBondContact NE-OD1 2.5Å; R96-D175 IonicContact NH1-OD1 3.96Å; R96-D175 PolarHBondContact NH1-OD1 2.95Å; D175-L179 WeakPolarHBondContact O-CB 3.24Å; D175-L179 PolarHBondContact O-N 3.21Å
176L71.7Confident62.4Low22 Ų2254.3 Ų54.312%0.11527%0.271CS..Hα-helixtrans-62.9-49.5176.2-17763.8000112.1V90 F93 N174 K178 L179 M180V90-L176 HydrophobicContact CG1-CD2 3.79Å; F93-L176 HydrophobicContact CE1-CB 4.26Å; N174-L176 PolarHBondContact OD1-N 3.33Å; L176-K178 VanDerWaalsContact C-N 3.35Å; L176-K178 PolarHBondContact O-N 3.36Å; L176-L179 CarbonylContact O-C 3.58Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.22Å; L176-L179 VanDerWaalsContact O-N 3.13Å; L176-M180 HydrophobicContact CD1-CE 3.61Å; L176-M180 HydrophobicContact CG-CE 4.4Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 2.97Å
177G67.7Low61.1Low4 Ų459.5 Ų59.54%0.04130%0.299CS..Hα-helixtrans-62.8-38.1-176.500000112.9N174 M180 E181N174-G177 WeakPolarHBondContact OD1-CA 3.42Å; N174-G177 PolarHBondContact OD1-N 3.01Å; G177-M180 CarbonylContact O-C 3.57Å; G177-M180 WeakPolarHBondContact O-CB 3.33Å; G177-M180 PolarHBondContact O-N 3.43Å; G177-E181 PolarHBondContact O-N 3.16Å
178K65.1Low60.3Low97 Ų9763.7 Ų63.742%0.42232%0.317SS..Hα-helixtrans-85.4-15173.8-179.8167.4174.4170.60114.3R96 N174 L176 E181 F182R96-K178 VanDerWaalsContact NH2-CB 3.31Å; R96-K178 VanDerWaalsContact NH2-CG 3.26Å; N174-K178 PolarHBondContact O-N 2.76Å; L176-K178 VanDerWaalsContact C-N 3.35Å; L176-K178 PolarHBondContact O-N 3.36Å; K178-E181 HydrophobicContact CB-CB 4.43Å; K178-E181 HydrophobicContact CG-CB 4.34Å; K178-F182 PolarHBondContact O-N 3.41Å
179L66.9Low59.5Low28 Ų2868 Ų6815%0.14734%0.343CS..Hα-helixtrans-67.3-41.2158.4-174.194.5000110F93 D175 L176 E181 F182 L183 L245F93-L179 HydrophobicContact CE2-CB 4.44Å; F93-L179 HydrophobicContact CE2-CD1 4.14Å; F93-L179 HydrophobicContact CZ-CB 3.92Å; F93-L179 HydrophobicContact CZ-CD1 4.32Å; F93-L179 HydrophobicContact CZ-CD2 4.14Å; F93-L179 HydrophobicContact CZ-CG 4.35Å; D175-L179 WeakPolarHBondContact O-CB 3.24Å; D175-L179 PolarHBondContact O-N 3.21Å; L176-L179 CarbonylContact O-C 3.58Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.22Å; L176-L179 VanDerWaalsContact O-N 3.13Å; L179-E181 VanDerWaalsContact C-N 3.3Å; L179-E181 PolarHBondContact O-N 2.72Å; L179-F182 PolarHBondContact O-N 3.18Å; L179-L183 HydrophobicContact CD2-CD1 4.2Å; L179-L183 HydrophobicContact CG-CD1 4.24Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 VanDerWaalsContact O-CG 3.28Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.35Å; L179-L245 HydrophobicContact CD1-CD2 3.86Å; L179-L245 HydrophobicContact CD2-CD2 4.22Å
180M64.4Low59Low23 Ų2367.3 Ų67.311%0.11335%0.345CS..Hα-helixtrans-67.3-29.5173.9-61.5-57.8160.200112.5L158 L176 G177 L183 K184L158-M180 HydrophobicContact CB-CE 4.06Å; L158-M180 HydrophobicContact CB-CG 3.8Å; L158-M180 HydrophobicContact CB-SD 3.74Å; L158-M180 HydrophobicContact CD1-CE 3.86Å; L158-M180 HydrophobicContact CD1-SD 3.6Å; L158-M180 HydrophobicContact CD2-CE 4.2Å; L158-M180 HydrophobicContact CG-CE 4.25Å; L158-M180 HydrophobicContact CG-SD 4.21Å; L176-M180 HydrophobicContact CD1-CE 3.61Å; L176-M180 HydrophobicContact CG-CE 4.4Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 2.97Å; G177-M180 CarbonylContact O-C 3.57Å; G177-M180 WeakPolarHBondContact O-CB 3.33Å; G177-M180 PolarHBondContact O-N 3.43Å; M180-L183 HydrophobicContact CE-CD1 4.39Å; M180-L183 CarbonylContact O-C 3.58Å; M180-L183 PolarHBondContact O-N 2.79Å; M180-L183 HydrophobicContact SD-CD1 3.77Å; M180-K184 VanDerWaalsContact O-CB 3.32Å; M180-K184 WeakPolarHBondContact O-CB 3.47Å; M180-K184 PolarHBondContact O-N 2.86Å
181E62.5Low58.2Low63 Ų6369.1 Ų69.129%0.29435%0.352SS..Hα-helixtrans-66.6-47.4169-168.4164.6-123.800111.6N172 G177 K178 L179 L183 K184 D185N172-E181 PolarHBondContact ND2-OE1 3.08Å; N172-E181 PolarHBondContact ND2-OE2 3.28Å; G177-E181 PolarHBondContact O-N 3.16Å; K178-E181 HydrophobicContact CB-CB 4.43Å; K178-E181 HydrophobicContact CG-CB 4.34Å; L179-E181 VanDerWaalsContact C-N 3.3Å; L179-E181 PolarHBondContact O-N 2.72Å; E181-L183 VanDerWaalsContact C-N 3.26Å; E181-L183 PolarHBondContact O-N 3.24Å; E181-K184 WeakPolarHBondContact O-CA 3.39Å; E181-K184 VanDerWaalsContact O-CB 3.25Å; E181-K184 WeakPolarHBondContact O-CB 3.28Å; E181-K184 PolarHBondContact O-N 3.37Å; E181-D185 PolarHBondContact O-N 3.05Å; E181-D185 VanDerWaalsContact O-N 3.09Å
182F62.1Low57.3Low119 Ų11974 Ų7452%0.52237%0.374SS..Hα-helixtrans-62.1-32.5173.2-176.2-95.8000113K178 L179 I186K178-F182 PolarHBondContact O-N 3.41Å; L179-F182 PolarHBondContact O-N 3.18Å; F182-I186 HydrophobicContact CD1-CD1 4.45Å; F182-I186 HydrophobicContact CE1-CD1 4.18Å
183L58.7Low56.1Low46 Ų4672.4 Ų72.424%0.24137%0.366CS..Hα-helixtrans-75.4-22171.3-69.9165.7000112.6L179 M180 E181 I186 F188L179-L183 HydrophobicContact CD2-CD1 4.2Å; L179-L183 HydrophobicContact CG-CD1 4.24Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 VanDerWaalsContact O-CG 3.28Å; L179-L183 WeakPolarHBondContact O-CG 3.29Å; L179-L183 PolarHBondContact O-N 3.35Å; M180-L183 HydrophobicContact CE-CD1 4.39Å; M180-L183 CarbonylContact O-C 3.58Å; M180-L183 PolarHBondContact O-N 2.79Å; M180-L183 HydrophobicContact SD-CD1 3.77Å; E181-L183 VanDerWaalsContact C-N 3.26Å; E181-L183 PolarHBondContact O-N 3.24Å; L183-I186 HydrophobicContact CD2-CD1 4.37Å; L183-I186 PolarHBondContact O-N 3.09Å; L183-F188 HydrophobicContact CB-CE2 4.35Å; L183-F188 HydrophobicContact CD2-CZ 4.38Å; L183-F188 VanDerWaalsContact O-CE2 3.27Å; L183-F188 WeakPolarHBondContact O-CE2 3.29Å
184K54.7Low55.2Low129 Ų12970.2 Ų70.256%0.56135%0.354SS*.Hα-helixtrans-76-31.7174.9-172.7-171.8170.7-166.20111.9I155 M180 E181 I186I155-K184 HydrophobicContact CD1-CB 4.34Å; I155-K184 HydrophobicContact CD1-CG 4.47Å; I155-K184 HydrophobicContact CG2-CB 4.16Å; I155-K184 HydrophobicContact CG2-CG 4.41Å; M180-K184 VanDerWaalsContact O-CB 3.32Å; M180-K184 WeakPolarHBondContact O-CB 3.47Å; M180-K184 PolarHBondContact O-N 2.86Å; E181-K184 WeakPolarHBondContact O-CA 3.39Å; E181-K184 VanDerWaalsContact O-CB 3.25Å; E181-K184 WeakPolarHBondContact O-CB 3.28Å; E181-K184 PolarHBondContact O-N 3.37Å; K184-I186 PolarHBondContact O-N 3.11Å
185D51.1Low53.8Low131 Ų13174.3 Ų74.370%0.70137%0.373SS*.SBendtrans-72.6-12.1171.4-63.5-22.2000112.5E181E181-D185 PolarHBondContact O-N 3.05Å; E181-D185 VanDerWaalsContact O-N 3.09Å
186I52.2Low52.3Low69 Ų6979.7 Ų79.735%0.35440%0.396SS..SBendtrans-90.2107170.8-64.2173.6000108.4F182 L183 K184 F188F182-I186 HydrophobicContact CD1-CD1 4.45Å; F182-I186 HydrophobicContact CE1-CD1 4.18Å; L183-I186 HydrophobicContact CD2-CD1 4.37Å; L183-I186 PolarHBondContact O-N 3.09Å; K184-I186 PolarHBondContact O-N 3.11Å; I186-F188 HydrophobicContact CB-CE2 4.47Å; I186-F188 HydrophobicContact CG2-CE2 4.41Å; I186-F188 WeakPolarHBondContact O-CD2 3.33Å; I186-F188 PolarHBondContact O-N 3.33Å
187D43.4Very low50.7Low109 Ų10983.9 Ų83.958%0.58341%0.414SS*.  trans-70.391.7-174.4-166.2-12000112.8T189D187-T189 VanDerWaalsContact CG-OG1 3.24Å; D187-T189 PolarHBondContact O-N 2.92Å; D187-T189 WeakPolarHBondContact OD1-CB 3.48Å; D187-T189 VanDerWaalsContact OD1-CG2 3.23Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.45Å; D187-T189 PolarHBondContact OD1-N 2.7Å; D187-T189 PolarHBondContact OD1-OG1 3.07Å; D187-T189 PolarHBondContact OD2-OG1 2.86Å
188F48.2Very low49.3Very low90 Ų9087.5 Ų87.540%0.39543%0.432SS..G310 helixtrans-67-8.1-179.3-82.2-78.8000114.8I155 L183 I186 N190 L191 I194I155-F188 HydrophobicContact CD1-CD2 4.39Å; L183-F188 HydrophobicContact CB-CE2 4.35Å; L183-F188 HydrophobicContact CD2-CZ 4.38Å; L183-F188 VanDerWaalsContact O-CE2 3.27Å; L183-F188 WeakPolarHBondContact O-CE2 3.29Å; I186-F188 HydrophobicContact CB-CE2 4.47Å; I186-F188 HydrophobicContact CG2-CE2 4.41Å; I186-F188 WeakPolarHBondContact O-CD2 3.33Å; I186-F188 PolarHBondContact O-N 3.33Å; F188-N190 PolarHBondContact O-N 2.75Å; F188-L191 PolarHBondContact O-N 2.88Å; F188-I194 HydrophobicContact CD1-CD1 3.66Å; F188-I194 HydrophobicContact CE1-CD1 3.85Å
189T47.1Very low48Very low111 Ų11188 Ų8868%0.68143%0.434SS*.G310 helixtrans-57.1-32.7175.558.20000111.9D187 L191D187-T189 VanDerWaalsContact CG-OG1 3.24Å; D187-T189 PolarHBondContact O-N 2.92Å; D187-T189 WeakPolarHBondContact OD1-CB 3.48Å; D187-T189 VanDerWaalsContact OD1-CG2 3.23Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.45Å; D187-T189 PolarHBondContact OD1-N 2.7Å; D187-T189 PolarHBondContact OD1-OG1 3.07Å; D187-T189 PolarHBondContact OD2-OG1 2.86Å; T189-L191 PolarHBondContact O-N 2.99Å
190N44.2Very low46.6Very low100 Ų10091.9 Ų91.954%0.53545%0.447SS..G310 helixtrans-8348.7175.1-79.3-71.3000113.1F188 I192 D193 I194F188-N190 PolarHBondContact O-N 2.75Å; N190-I192 PolarHBondContact O-N 3.23Å; N190-D193 HydrophobicContact CB-CB 4.13Å; N190-D193 WeakPolarHBondContact O-CA 3.22Å; N190-D193 PolarHBondContact O-N 3.48Å; N190-I194 PolarHBondContact O-N 3.4Å; N190-I194 VanDerWaalsContact O-N 3.09Å
191L41.5Very low45.3Very low110 Ų11094.9 Ų94.958%0.57646%0.462SS*.Hα-helixtrans-58.3-31.6176-114.3166000112.7F188 T189 D193 I194 E195F188-L191 PolarHBondContact O-N 2.88Å; T189-L191 PolarHBondContact O-N 2.99Å; L191-D193 VanDerWaalsContact C-N 3.26Å; L191-D193 PolarHBondContact O-N 3.17Å; L191-I194 WeakPolarHBondContact O-CB 3.22Å; L191-I194 PolarHBondContact O-N 2.96Å; L191-E195 PolarHBondContact O-N 3.4Å
192I40.4Very low44Very low116 Ų116100.5 Ų100.560%0.59548%0.481SS*.Hα-helixtrans-62.6-32.4171-65.6172.5000111.6N190 E195 K196N190-I192 PolarHBondContact O-N 3.23Å; I192-E195 PolarHBondContact O-N 2.82Å; I192-K196 HydrophobicContact CG2-CD 4.31Å; I192-K196 VanDerWaalsContact O-CG 3.3Å; I192-K196 WeakPolarHBondContact O-CG 3.27Å; I192-K196 PolarHBondContact O-N 2.83Å
193D36.8Very low42.6Very low50 Ų50104.1 Ų104.127%0.26749%0.491SS..Hα-helixtrans-82.5-26176.7-157.560000112.6N190 L191 E195 K196 K197N190-D193 HydrophobicContact CB-CB 4.13Å; N190-D193 WeakPolarHBondContact O-CA 3.22Å; N190-D193 PolarHBondContact O-N 3.48Å; L191-D193 VanDerWaalsContact C-N 3.26Å; L191-D193 PolarHBondContact O-N 3.17Å; D193-E195 VanDerWaalsContact C-N 3.34Å; D193-K196 PolarHBondContact O-N 2.86Å; D193-K197 VanDerWaalsContact O-CB 3.27Å; D193-K197 WeakPolarHBondContact O-CB 3.35Å; D193-K197 WeakPolarHBondContact O-CD 3.46Å; D193-K197 WeakPolarHBondContact O-CG 3.14Å; D193-K197 PolarHBondContact O-N 3.13Å; D193-K197 WeakPolarHBondContact OD2-CE 3.26Å; D193-K197 IonicContact OD2-NZ 2.71Å; D193-K197 PolarHBondContact OD2-NZ 2.96Å
194I42.8Very low41.6Very low50 Ų50105.5 Ų105.526%0.25649%0.493SS..Hα-helixtrans-63.8-41.7161.9-65.2175.8000109.9F188 N190 L191 K196 K197 L198F188-I194 HydrophobicContact CD1-CD1 3.66Å; F188-I194 HydrophobicContact CE1-CD1 3.85Å; N190-I194 PolarHBondContact O-N 3.4Å; N190-I194 VanDerWaalsContact O-N 3.09Å; L191-I194 WeakPolarHBondContact O-CB 3.22Å; L191-I194 PolarHBondContact O-N 2.96Å; I194-K196 PolarHBondContact O-N 3.46Å; I194-K197 CarbonylContact O-C 3.48Å; I194-K197 PolarHBondContact O-N 3.35Å; I194-L198 HydrophobicContact CG2-CD1 3.89Å; I194-L198 HydrophobicContact CG2-CG 4.35Å; I194-L198 WeakPolarHBondContact O-CB 3.32Å; I194-L198 WeakPolarHBondContact O-CG 3.48Å; I194-L198 PolarHBondContact O-N 3.18Å
195E38Very low40.4Very low88 Ų88104.5 Ų104.541%0.41150%0.498SS..Hα-helixtrans-67.8-34.5176.4-141.4-111.5144.500112L191 I192 D193 K199L191-E195 PolarHBondContact O-N 3.4Å; I192-E195 PolarHBondContact O-N 2.82Å; D193-E195 VanDerWaalsContact C-N 3.34Å; E195-K199 VanDerWaalsContact O-CB 3.24Å; E195-K199 WeakPolarHBondContact O-CB 3.4Å; E195-K199 WeakPolarHBondContact O-CG 3.22Å; E195-K199 PolarHBondContact O-N 2.8Å; E195-K199 WeakPolarHBondContact OE1-CE 3.32Å; E195-K199 IonicContact OE1-NZ 3.3Å; E195-K199 PolarHBondContact OE1-NZ 3Å; E195-K199 IonicContact OE2-NZ 2.71Å; E195-K199 PolarHBondContact OE2-NZ 3.36Å
196K39.8Very low39.4Very low118 Ų118102.5 Ų102.551%0.51350%0.495SS..Hα-helixtrans-69.5-37.6169.6-72.5166.1-179.1171.60112.7I192 D193 I194 R200I192-K196 HydrophobicContact CG2-CD 4.31Å; I192-K196 VanDerWaalsContact O-CG 3.3Å; I192-K196 WeakPolarHBondContact O-CG 3.27Å; I192-K196 PolarHBondContact O-N 2.83Å; D193-K196 PolarHBondContact O-N 2.86Å; I194-K196 PolarHBondContact O-N 3.46Å; K196-R200 WeakPolarHBondContact O-CB 3.34Å; K196-R200 WeakPolarHBondContact O-CG 3.5Å; K196-R200 PolarHBondContact O-N 3Å
197K37.1Very low38.2Very low111 Ų111103.6 Ų103.648%0.48351%0.508SS..Hα-helixtrans-67.4-38.5172.8-77160.3175.6143.10111.1D193 I194 R200 I201D193-K197 VanDerWaalsContact O-CB 3.27Å; D193-K197 WeakPolarHBondContact O-CB 3.35Å; D193-K197 WeakPolarHBondContact O-CD 3.46Å; D193-K197 WeakPolarHBondContact O-CG 3.14Å; D193-K197 PolarHBondContact O-N 3.13Å; D193-K197 WeakPolarHBondContact OD2-CE 3.26Å; D193-K197 IonicContact OD2-NZ 2.71Å; D193-K197 PolarHBondContact OD2-NZ 2.96Å; I194-K197 CarbonylContact O-C 3.48Å; I194-K197 PolarHBondContact O-N 3.35Å; K197-R200 WeakPolarHBondContact O-CB 3.16Å; K197-R200 PolarHBondContact O-N 2.88Å; K197-I201 WeakPolarHBondContact O-CD1 3.45Å; K197-I201 VanDerWaalsContact O-CG1 3.27Å; K197-I201 WeakPolarHBondContact O-CG1 3.47Å; K197-I201 PolarHBondContact O-N 3.13Å
198L38.9Very low37.4Very low79 Ų79103.6 Ų103.641%0.41452%0.517SS..Hα-helixtrans-72.7-35.7173.6-72.5171000112.8I194 R200 I201 R202I194-L198 HydrophobicContact CG2-CD1 3.89Å; I194-L198 HydrophobicContact CG2-CG 4.35Å; I194-L198 WeakPolarHBondContact O-CB 3.32Å; I194-L198 WeakPolarHBondContact O-CG 3.48Å; I194-L198 PolarHBondContact O-N 3.18Å; L198-R200 VanDerWaalsContact C-N 3.35Å; L198-I201 HydrophobicContact CD2-CD1 4.23Å; L198-I201 PolarHBondContact O-N 2.85Å; L198-R202 PolarHBondContact O-N 2.95Å
199K37.5Very low36.5Very low108 Ų108102.4 Ų102.447%0.4752%0.52SS..Hα-helixtrans-67.2-33.4169.4-82.1166.3165.8156.20111.8E195 R203E195-K199 VanDerWaalsContact O-CB 3.24Å; E195-K199 WeakPolarHBondContact O-CB 3.4Å; E195-K199 WeakPolarHBondContact O-CG 3.22Å; E195-K199 PolarHBondContact O-N 2.8Å; E195-K199 WeakPolarHBondContact OE1-CE 3.32Å; E195-K199 IonicContact OE1-NZ 3.3Å; E195-K199 PolarHBondContact OE1-NZ 3Å; E195-K199 IonicContact OE2-NZ 2.71Å; E195-K199 PolarHBondContact OE2-NZ 3.36Å; K199-R203 WeakPolarHBondContact O-CG 3.4Å; K199-R203 PolarHBondContact O-N 2.97Å; K199-R203 VanDerWaalsContact O-N 3.12Å
200R37.7Very low35.6Very low110 Ų110103.6 Ų103.642%0.41553%0.532SS..Hα-helixtrans-62.9-49.5165.5-85176.3171.2143.9-1.9110.9K196 K197 L198 R202 R203 Y204 S1828K196-R200 WeakPolarHBondContact O-CB 3.34Å; K196-R200 WeakPolarHBondContact O-CG 3.5Å; K196-R200 PolarHBondContact O-N 3Å; K197-R200 WeakPolarHBondContact O-CB 3.16Å; K197-R200 PolarHBondContact O-N 2.88Å; L198-R200 VanDerWaalsContact C-N 3.35Å; R200-R202 PolarHBondContact O-N 2.96Å; R200-R203 CarbonylContact O-C 3.49Å; R200-R203 WeakPolarHBondContact O-CA 3.27Å; R200-R203 WeakPolarHBondContact O-CB 3.41Å; R200-R203 PolarHBondContact O-N 3.12Å; R200-Y204 VanDerWaalsContact C-CD2 3.41Å; R200-Y204 HydrophobicContact CB-CD2 3.93Å; R200-Y204 HydrophobicContact CB-CE2 3.73Å; R200-Y204 HydrophobicContact CG-CE2 3.95Å; R200-Y204 WeakPolarHBondContact O-CD2 3.31Å; R200-Y204 PolarHBondContact O-N 2.96Å; R200-S1828 WeakPolarHBondContact O-CB 3.45Å
201I37.3Very low34.9Very low86 Ų86103.7 Ų103.744%0.44154%0.541SS..Hα-helixtrans-59.9-41.3178.2-70.8160.5000111.9K197 L198 R203 Y204 T205K197-I201 WeakPolarHBondContact O-CD1 3.45Å; K197-I201 VanDerWaalsContact O-CG1 3.27Å; K197-I201 WeakPolarHBondContact O-CG1 3.47Å; K197-I201 PolarHBondContact O-N 3.13Å; L198-I201 HydrophobicContact CD2-CD1 4.23Å; L198-I201 PolarHBondContact O-N 2.85Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 2.92Å; I201-Y204 CarbonylContact O-C 3.49Å; I201-Y204 VanDerWaalsContact O-C 3.24Å; I201-Y204 VanDerWaalsContact O-CA 3.31Å; I201-Y204 WeakPolarHBondContact O-CA 3.31Å; I201-Y204 PolarHBondContact O-N 3.12Å; I201-T205 PolarHBondContact O-N 3.35Å
202R34.2Very low34.2Very low180 Ų180102 Ų10268%0.67954%0.538SS*.Hα-helixtrans-64.1-32.3172.7-80.6-177.7170.1165.5-2.6113.5L198 R200 Y204 T205L198-R202 PolarHBondContact O-N 2.95Å; R200-R202 PolarHBondContact O-N 2.96Å; R202-Y204 VanDerWaalsContact C-N 3.3Å; R202-T205 PolarHBondContact O-N 2.96Å; R202-T205 PolarHBondContact O-OG1 2.88Å
203R34Very low33.5Very low195 Ų195102.3 Ų102.374%0.73655%0.551SS**Hα-helixtrans-75.1-18.2168.9-72.8179.7177.5177.6-0.6113.1K199 R200 I201 T205 S206K199-R203 WeakPolarHBondContact O-CG 3.4Å; K199-R203 PolarHBondContact O-N 2.97Å; K199-R203 VanDerWaalsContact O-N 3.12Å; R200-R203 CarbonylContact O-C 3.49Å; R200-R203 WeakPolarHBondContact O-CA 3.27Å; R200-R203 WeakPolarHBondContact O-CB 3.41Å; R200-R203 PolarHBondContact O-N 3.12Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 2.92Å; R203-T205 VanDerWaalsContact C-N 3.28Å; R203-S206 PolarHBondContact O-OG 2.84Å
204Y36.3Very low33.2Very low75 Ų75107.7 Ų107.729%0.29458%0.579SS.*THydrogen-bonded Turntrans-91.621.1169.1-62.2-48.7000112.3R200 I201 R202 N1826 K1827 S1828R200-Y204 VanDerWaalsContact C-CD2 3.41Å; R200-Y204 HydrophobicContact CB-CD2 3.93Å; R200-Y204 HydrophobicContact CB-CE2 3.73Å; R200-Y204 HydrophobicContact CG-CE2 3.95Å; R200-Y204 WeakPolarHBondContact O-CD2 3.31Å; R200-Y204 PolarHBondContact O-N 2.96Å; I201-Y204 CarbonylContact O-C 3.49Å; I201-Y204 VanDerWaalsContact O-C 3.24Å; I201-Y204 VanDerWaalsContact O-CA 3.31Å; I201-Y204 WeakPolarHBondContact O-CA 3.31Å; I201-Y204 PolarHBondContact O-N 3.12Å; R202-Y204 VanDerWaalsContact C-N 3.3Å; Y204-N1826 HydrophobicContact CD1-CB 4.45Å; Y204-N1826 HydrophobicContact CG-CB 4.38Å; Y204-N1826 VanDerWaalsContact O-CG 3.26Å; Y204-N1826 PolarHBondContact O-ND2 3.03Å; Y204-K1827 VanDerWaalsContact CE1-C 3.43Å; Y204-S1828 WeakPolarHBondContact CD1-OG 3.43Å; Y204-S1828 WeakPolarHBondContact CD2-O 3.43Å; Y204-S1828 WeakPolarHBondContact CD2-OG 3.49Å; Y204-S1828 WeakPolarHBondContact CE1-OG 3.47Å; Y204-S1828 WeakPolarHBondContact CE2-O 3.2Å; Y204-S1828 WeakPolarHBondContact CE2-OG 3.43Å; Y204-S1828 PolarHBondContact OH-OG 2.8Å
205T30.8Very low32.6Very low109 Ų109112 Ų11267%0.66960%0.602SS**THydrogen-bonded Turntrans-129.726.8168.355.20000113.2I201 R202 R203I201-T205 PolarHBondContact O-N 3.35Å; R202-T205 PolarHBondContact O-N 2.96Å; R202-T205 PolarHBondContact O-OG1 2.88Å; R203-T205 VanDerWaalsContact C-N 3.28Å
206S28.7Very low32.1Very low89 Ų89115.7 Ų115.762%0.62262%0.623SS**SBendtrans-136.552-175.165.80000113.7R203R203-S206 PolarHBondContact O-OG 2.84Å
207S27.5Very low31.6Very low91 Ų91115.1 Ų115.164%0.63663%0.634SS**SBendtrans-154.830.4179.356.20000115.2
208S27.1Very low31.4Very low109 Ų109115.1 Ų115.176%0.76264%0.644SS**SBendtrans-150.740.6176.473.90000116.4
209S29.5Very low31.1Very low65 Ų65117.9 Ų117.946%0.45566%0.657SS.*  trans-157.885.4165.449.70000113.2S211 S212S209-S211 PolarHBondContact O-N 3.37Å; S209-S212 WeakPolarHBondContact CB-OG 3.37Å; S209-S212 PolarHBondContact OG-OG 2.82Å
210S28.3Very low30.8Very low136 Ų136120.3 Ų120.395%0.95168%0.675SS**THydrogen-bonded Turntrans-71.455.7151.855.10000109.7
211S28.3Very low30.4Very low103 Ų103123.5 Ų123.572%0.7270%0.695SS**THydrogen-bonded Turntrans-174.325.9-168.351.50000112.8S209S209-S211 PolarHBondContact O-N 3.37Å
212S26.9Very low30Very low74 Ų74127.7 Ų127.752%0.51771%0.714SS.*  trans-148.733.6178.368.60000114.3S209 L214S209-S212 WeakPolarHBondContact CB-OG 3.37Å; S209-S212 PolarHBondContact OG-OG 2.82Å; S212-L214 VanDerWaalsContact C-N 3.3Å; S212-L214 PolarHBondContact O-N 3.04Å; S212-L214 VanDerWaalsContact O-N 3.11Å
213S26.7Very low29.9Very low123 Ų123125.2 Ų125.286%0.8672%0.715SS**THydrogen-bonded Turntrans-84.159.7179.255.50000112.6
214L30Very low30Very low162 Ų162121.5 Ų121.585%0.84871%0.714SS**THydrogen-bonded Turntrans-151.45.9178.3-144.2104.9000116.2S212S212-L214 VanDerWaalsContact C-N 3.3Å; S212-L214 PolarHBondContact O-N 3.04Å; S212-L214 VanDerWaalsContact O-N 3.11Å
215L29.4Very low30.4Very low142 Ų142124.9 Ų124.974%0.74374%0.735SS**SBendtrans-139.526.2-165.8-114.6170.3000115.2
216L28.6Very low31.1Very low165 Ų165125.9 Ų125.986%0.86473%0.733SS**SBendtrans-140.124.4-179.7-144.580000115
217S29.8Very low32Very low106 Ų106124.6 Ų124.674%0.74172%0.721SS**SBendtrans-113.8-5.3175.349.80000113.9
218T31.7Very low33Very low111 Ų111125.1 Ų125.168%0.68172%0.717SS**SBendtrans-11133.8-17057.20000113.4
219I33.6Very low34.2Very low136 Ų136124.1 Ų124.170%0.69770%0.697SS**  trans-136.257.3179.9-42.2179000110.6
220N30.3Very low35.5Very low159 Ų159127 Ų12785%0.8570%0.701SS**SBendtrans-132.3-1.3168.4-96.9-5.4000113.7
221H30.1Very low36.9Very low178 Ų178125.2 Ų125.282%0.82468%0.68SS**SBendtrans-140.999.8171.1-77.5-75.5000109.5
222M27.9Very low38.4Very low173 Ų173124.7 Ų124.785%0.85267%0.669SS**SBendtrans-171.3152.6153.8-93.5-47.9174.500108.2
223D32.7Very low40.3Very low129 Ų129122 Ų12269%0.6965%0.65SS**  trans-74.2159.2-156.5-62-70.5000117.5I225D223-I225 VanDerWaalsContact C-N 3.26Å; D223-I225 PolarHBondContact O-N 3.29Å; D223-I225 VanDerWaalsContact O-N 3.07Å
224T36.2Very low42.3Very low116 Ų116120.6 Ų120.671%0.71263%0.632SS**THydrogen-bonded Turntrans-75.75.1-161.149.30000116.4
225I44.7Very low44Very low146 Ų146115.3 Ų115.375%0.74961%0.611SS**THydrogen-bonded Turntrans-105.6-40.5-174.9-62.3177.8000112.5D223 T227D223-I225 VanDerWaalsContact C-N 3.26Å; D223-I225 PolarHBondContact O-N 3.29Å; D223-I225 VanDerWaalsContact O-N 3.07Å; I225-T227 VanDerWaalsContact C-N 3.3Å; I225-T227 PolarHBondContact O-N 2.98Å
226E44.7Very low45.9Very low130 Ų130111 Ų11161%0.60759%0.589SS**Hα-helixtrans-68.4-28.8177-77.6-148.3161.700113.5N228 Y229 K230E226-N228 PolarHBondContact O-N 2.68Å; E226-Y229 WeakPolarHBondContact O-CB 3.44Å; E226-Y229 PolarHBondContact O-N 3.07Å; E226-K230 PolarHBondContact O-N 3.49Å; E226-K230 IonicContact OE2-NZ 2.88Å; E226-K230 PolarHBondContact OE2-NZ 3.44Å
227T47Very low47.9Very low63 Ų63104.8 Ų104.839%0.38756%0.557SS.*Hα-helixtrans-63.5-43.6-170.851.60000112I225 Y229 K230 I231I225-T227 VanDerWaalsContact C-N 3.3Å; I225-T227 PolarHBondContact O-N 2.98Å; T227-Y229 PolarHBondContact O-N 2.92Å; T227-K230 PolarHBondContact O-N 3.17Å; T227-I231 WeakPolarHBondContact O-CB 3.39Å; T227-I231 WeakPolarHBondContact O-CD1 3.49Å; T227-I231 WeakPolarHBondContact O-CG1 3.28Å; T227-I231 PolarHBondContact O-N 3.3Å
228N48.5Very low49.7Very low101 Ų101104.7 Ų104.754%0.5455%0.545SS..Hα-helixtrans-58.1-36176.8-74.2-34.6000112.6E226 N232E226-N228 PolarHBondContact O-N 2.68Å; N228-N232 WeakPolarHBondContact O-CB 3.28Å; N228-N232 VanDerWaalsContact O-CG 3.26Å; N228-N232 PolarHBondContact O-N 3.07Å
229Y53.5Low51.5Low89 Ų89103.9 Ų103.935%0.34954%0.535SS..Hα-helixtrans-65.5-54.2179.4-151-67.4000111E226 T227 I231 N232 C233 Q377 D380E226-Y229 WeakPolarHBondContact O-CB 3.44Å; E226-Y229 PolarHBondContact O-N 3.07Å; T227-Y229 PolarHBondContact O-N 2.92Å; Y229-I231 VanDerWaalsContact C-N 3.31Å; Y229-I231 PolarHBondContact O-N 3.47Å; Y229-N232 PolarHBondContact O-N 3.12Å; Y229-C233 PolarHBondContact O-N 3.01Å; Y229-C233 VanDerWaalsContact O-N 3.1Å; Y229-C233 PolarHBondContact O-SG 3.02Å; Y229-Q377 HydrophobicContact CD2-CG 4.48Å; Y229-Q377 HydrophobicContact CE2-CG 3.77Å; Y229-D380 HydrophobicContact CE1-CB 3.89Å; Y229-D380 WeakPolarHBondContact OH-CB 3.49Å; Y229-D380 PolarHBondContact OH-OD2 3.25Å; Y229-D380 VanDerWaalsContact OH-OD2 3.1Å
230K56.6Low53.2Low125 Ų12598.1 Ų98.154%0.54351%0.506SS..Hα-helixtrans-62.7-37.2178.1-75162.8-179.6154.20111.6E226 T227 I234E226-K230 PolarHBondContact O-N 3.49Å; E226-K230 IonicContact OE2-NZ 2.88Å; E226-K230 PolarHBondContact OE2-NZ 3.44Å; T227-K230 PolarHBondContact O-N 3.17Å; K230-I234 WeakPolarHBondContact O-CB 3.4Å; K230-I234 WeakPolarHBondContact O-CD1 3.42Å; K230-I234 VanDerWaalsContact O-CG1 3.22Å; K230-I234 WeakPolarHBondContact O-CG1 3.27Å; K230-I234 PolarHBondContact O-N 2.93Å
231I57.4Low54.9Low98 Ų9894 Ų9450%0.50348%0.479SS..Hα-helixtrans-62.8-47.8175.8-71.5165.4000111.3T227 Y229 C233 I234 A235T227-I231 WeakPolarHBondContact O-CB 3.39Å; T227-I231 WeakPolarHBondContact O-CD1 3.49Å; T227-I231 WeakPolarHBondContact O-CG1 3.28Å; T227-I231 PolarHBondContact O-N 3.3Å; Y229-I231 VanDerWaalsContact C-N 3.31Å; Y229-I231 PolarHBondContact O-N 3.47Å; I231-C233 PolarHBondContact O-N 3.39Å; I231-I234 PolarHBondContact O-N 2.86Å; I231-A235 WeakPolarHBondContact O-CB 3.49Å; I231-A235 PolarHBondContact O-N 2.91Å
232N60.8Low56.8Low93 Ų9388.9 Ų88.950%0.49746%0.457SS..Hα-helixtrans-62.7-41.9179.2-75.1-12.1000112N228 Y229 A235 L236N228-N232 WeakPolarHBondContact O-CB 3.28Å; N228-N232 VanDerWaalsContact O-CG 3.26Å; N228-N232 PolarHBondContact O-N 3.07Å; Y229-N232 PolarHBondContact O-N 3.12Å; N232-A235 PolarHBondContact O-N 2.96Å; N232-L236 WeakPolarHBondContact O-CB 3.36Å; N232-L236 PolarHBondContact O-N 3.46Å
233C66.2Low58.3Low17 Ų1785 Ų8512%0.11545%0.447CS..Hα-helixtrans-65.4-42176.8-59.60000112.8Y229 I231 A235 L236 D237 C381Y229-C233 PolarHBondContact O-N 3.01Å; Y229-C233 VanDerWaalsContact O-N 3.1Å; Y229-C233 PolarHBondContact O-SG 3.02Å; I231-C233 PolarHBondContact O-N 3.39Å; C233-A235 VanDerWaalsContact C-N 3.35Å; C233-L236 PolarHBondContact O-N 3.19Å; C233-D237 PolarHBondContact O-N 3.21Å; C233-C381 WeakPolarHBondContact CA-SG 3.5Å; C233-C381 HydrophobicContact CB-CB 3.48Å; C233-C381 VanDerWaalsContact CB-CB 3.48Å; C233-C381 WeakPolarHBondContact CB-SG 3.48Å; C233-C381 WeakPolarHBondContact SG-CA 3.22Å; C233-C381 WeakPolarHBondContact SG-CB 3.06Å; C233-C381 CovalentContact SG-SG 2.04Å; C233-C381 PolarHBondContact SG-SG 3.13Å
234I68.5Low59.7Low94 Ų9484 Ų8448%0.48244%0.441SS..Hα-helixtrans-64.3-40.6174.9-70.2166.3000110.7K230 I231 Q238K230-I234 WeakPolarHBondContact O-CB 3.4Å; K230-I234 WeakPolarHBondContact O-CD1 3.42Å; K230-I234 VanDerWaalsContact O-CG1 3.22Å; K230-I234 WeakPolarHBondContact O-CG1 3.27Å; K230-I234 PolarHBondContact O-N 2.93Å; I231-I234 PolarHBondContact O-N 2.86Å; I234-Q238 HydrophobicContact CG2-CG 4.42Å; I234-Q238 VanDerWaalsContact CG2-NE2 3.35Å; I234-Q238 VanDerWaalsContact O-CB 3.27Å; I234-Q238 WeakPolarHBondContact O-CB 3.4Å; I234-Q238 WeakPolarHBondContact O-CG 3.25Å; I234-Q238 PolarHBondContact O-N 2.86Å
235A66.2Low61.2Low50 Ų5079.6 Ų79.641%0.41341%0.413SS..Hα-helixtrans-64.9-40.5176.100000112.1I231 N232 C233 Q238 L239I231-A235 WeakPolarHBondContact O-CB 3.49Å; I231-A235 PolarHBondContact O-N 2.91Å; N232-A235 PolarHBondContact O-N 2.96Å; C233-A235 VanDerWaalsContact C-N 3.35Å; A235-Q238 PolarHBondContact O-N 2.84Å; A235-L239 WeakPolarHBondContact O-CB 3.48Å; A235-L239 PolarHBondContact O-N 2.85Å
236L69.5Low62.3Low53 Ų5374.5 Ų74.528%0.27739%0.387SS..Hα-helixtrans-66.1-45.9177.5-171.169.8000111.9N232 C233 L239 L240 L378 F382N232-L236 WeakPolarHBondContact O-CB 3.36Å; N232-L236 PolarHBondContact O-N 3.46Å; C233-L236 PolarHBondContact O-N 3.19Å; L236-L239 PolarHBondContact O-N 3.07Å; L236-L240 WeakPolarHBondContact O-CG 3.39Å; L236-L240 PolarHBondContact O-N 3.25Å; L236-L378 HydrophobicContact CD2-CD1 4.42Å; L236-L378 HydrophobicContact CD2-CG 4.19Å; L236-F382 HydrophobicContact CD2-CE2 3.69Å; L236-F382 HydrophobicContact CD2-CZ 3.91Å; L236-F382 HydrophobicContact CG-CE2 4.48Å; L236-F382 HydrophobicContact CG-CZ 4.23Å
237D69.7Low63.3Low33 Ų3372.7 Ų72.718%0.17638%0.378CS..Hα-helixtrans-66.7-37.9176.3-170.734000111.4C233 L239 L240 R241 F382C233-D237 PolarHBondContact O-N 3.21Å; D237-L239 VanDerWaalsContact C-N 3.35Å; D237-L239 PolarHBondContact O-N 3.29Å; D237-L240 PolarHBondContact O-N 2.82Å; D237-R241 VanDerWaalsContact O-CB 3.3Å; D237-R241 WeakPolarHBondContact O-CB 3.48Å; D237-R241 VanDerWaalsContact O-CD 3.31Å; D237-R241 WeakPolarHBondContact O-CD 3.45Å; D237-R241 WeakPolarHBondContact O-CG 3.48Å; D237-R241 PolarHBondContact O-N 3.23Å; D237-R241 IonicContact OD1-CZ 2.8Å; D237-R241 IonicContact OD1-NE 3.78Å; D237-R241 PolarHBondContact OD1-NE 3.32Å; D237-R241 IonicContact OD1-NH2 2.76Å; D237-R241 PolarHBondContact OD1-NH2 3.04Å; D237-R241 IonicContact OD2-CZ 2.65Å; D237-R241 IonicContact OD2-NE 2.81Å; D237-R241 PolarHBondContact OD2-NE 3.37Å; D237-R241 IonicContact OD2-NH2 3.98Å; D237-R241 PolarHBondContact OD2-NH2 3.29Å; D237-F382 HydrophobicContact CB-CE1 4.35Å
238Q68.6Low64.5Low105 Ų10571.9 Ų71.949%0.49137%0.369SS..Hα-helixtrans-62.5-38.6170.8-76.3176.612.100112.6I234 A235 R241 N242I234-Q238 HydrophobicContact CG2-CG 4.42Å; I234-Q238 VanDerWaalsContact CG2-NE2 3.35Å; I234-Q238 VanDerWaalsContact O-CB 3.27Å; I234-Q238 WeakPolarHBondContact O-CB 3.4Å; I234-Q238 WeakPolarHBondContact O-CG 3.25Å; I234-Q238 PolarHBondContact O-N 2.86Å; A235-Q238 PolarHBondContact O-N 2.84Å; Q238-R241 CarbonylContact O-C 3.6Å; Q238-R241 PolarHBondContact O-N 2.92Å; Q238-N242 PolarHBondContact O-N 2.86Å
239L69.8Low65.8Low93 Ų9367.9 Ų67.949%0.48735%0.348SS..Hα-helixtrans-66-46.3175.6-172.8153.8000111A235 L236 D237 R241 N242 L245A235-L239 WeakPolarHBondContact O-CB 3.48Å; A235-L239 PolarHBondContact O-N 2.85Å; L236-L239 PolarHBondContact O-N 3.07Å; D237-L239 VanDerWaalsContact C-N 3.35Å; D237-L239 PolarHBondContact O-N 3.29Å; L239-R241 PolarHBondContact O-N 2.79Å; L239-N242 VanDerWaalsContact O-CB 3.25Å; L239-N242 WeakPolarHBondContact O-CB 3.4Å; L239-N242 PolarHBondContact O-N 2.95Å; L239-N242 VanDerWaalsContact O-N 3.13Å; L239-L245 HydrophobicContact CD2-CD1 3.57Å; L239-L245 HydrophobicContact CG-CD1 4.13Å; L239-L245 WeakPolarHBondContact O-CD1 3.49Å
240L68.8Low66.9Low16 Ų1663.8 Ų63.88%0.08433%0.333CS..Hα-helixtrans-66.9-14.7175.1-66.3-178.8000113.9L236 D237 T249 L252 R253 L256 F382L236-L240 WeakPolarHBondContact O-CG 3.39Å; L236-L240 PolarHBondContact O-N 3.25Å; D237-L240 PolarHBondContact O-N 2.82Å; L240-T249 HydrophobicContact CD2-CG2 3.72Å; L240-T249 PolarHBondContact O-OG1 3.41Å; L240-L252 HydrophobicContact CD2-CD2 4.06Å; L240-R253 PolarHBondContact O-NH1 2.86Å; L240-L256 HydrophobicContact CD1-CD1 4.42Å; L240-F382 HydrophobicContact CD1-CE1 4.32Å; L240-F382 HydrophobicContact CD1-CZ 3.71Å
241R65.5Low68.1Low73 Ų7358.4 Ų58.428%0.27531%0.309SS..THydrogen-bonded Turntrans-101.1-4.9174-68.5167.8-171.6-122.516.2114.1D237 Q238 L239 S243 H409D237-R241 VanDerWaalsContact O-CB 3.3Å; D237-R241 WeakPolarHBondContact O-CB 3.48Å; D237-R241 VanDerWaalsContact O-CD 3.31Å; D237-R241 WeakPolarHBondContact O-CD 3.45Å; D237-R241 WeakPolarHBondContact O-CG 3.48Å; D237-R241 PolarHBondContact O-N 3.23Å; D237-R241 IonicContact OD1-CZ 2.8Å; D237-R241 IonicContact OD1-NE 3.78Å; D237-R241 PolarHBondContact OD1-NE 3.32Å; D237-R241 IonicContact OD1-NH2 2.76Å; D237-R241 PolarHBondContact OD1-NH2 3.04Å; D237-R241 IonicContact OD2-CZ 2.65Å; D237-R241 IonicContact OD2-NE 2.81Å; D237-R241 PolarHBondContact OD2-NE 3.37Å; D237-R241 IonicContact OD2-NH2 3.98Å; D237-R241 PolarHBondContact OD2-NH2 3.29Å; Q238-R241 CarbonylContact O-C 3.6Å; Q238-R241 PolarHBondContact O-N 2.92Å; L239-R241 PolarHBondContact O-N 2.79Å; R241-S243 PolarHBondContact O-N 3.21Å; R241-H409 PolarHBondContact NH1-O 3.44Å
242N69.8Low69.3Low70 Ų7055.8 Ų55.837%0.37430%0.296SS..SBendtrans-57.3137.3178.8-175.9-4.8000110.3Q238 L239 L244 L245 I246Q238-N242 PolarHBondContact O-N 2.86Å; L239-N242 VanDerWaalsContact O-CB 3.25Å; L239-N242 WeakPolarHBondContact O-CB 3.4Å; L239-N242 PolarHBondContact O-N 2.95Å; L239-N242 VanDerWaalsContact O-N 3.13Å; N242-L244 PolarHBondContact O-N 3.13Å; N242-L244 VanDerWaalsContact O-N 3.09Å; N242-L244 PolarHBondContact OD1-N 2.99Å; N242-L245 CarbonylContact O-C 3.5Å; N242-L245 PolarHBondContact O-N 2.76Å; N242-I246 WeakPolarHBondContact O-CB 3.16Å; N242-I246 PolarHBondContact O-N 2.93Å
243S60.3Low70.2Confident91 Ų9151.8 Ų51.864%0.63627%0.274SS*.THydrogen-bonded Turntrans-58.9-24.5-176.753.60000114.1R241 I246R241-S243 PolarHBondContact O-N 3.21Å; S243-I246 WeakPolarHBondContact O-CG2 3.28Å
244L61Low70.8Confident108 Ų10851.2 Ų51.257%0.56527%0.269SS*.THydrogen-bonded Turntrans-78.3-17.8173.6-69.1170.3000114N242 Y248N242-L244 PolarHBondContact O-N 3.13Å; N242-L244 VanDerWaalsContact O-N 3.09Å; N242-L244 PolarHBondContact OD1-N 2.99Å; L244-Y248 WeakPolarHBondContact O-CD2 3.32Å; L244-Y248 WeakPolarHBondContact O-CE2 3.42Å
245L67.6Low71.5Confident23 Ų2346.9 Ų46.912%0.1225%0.247CC..THydrogen-bonded Turntrans-112.9-19.5-177.9-66.6175.1000113L179 L239 N242 H247 Y248 T249L179-L245 HydrophobicContact CD1-CD2 3.86Å; L179-L245 HydrophobicContact CD2-CD2 4.22Å; L239-L245 HydrophobicContact CD2-CD1 3.57Å; L239-L245 HydrophobicContact CG-CD1 4.13Å; L239-L245 WeakPolarHBondContact O-CD1 3.49Å; N242-L245 CarbonylContact O-C 3.5Å; N242-L245 PolarHBondContact O-N 2.76Å; L245-H247 VanDerWaalsContact C-N 3.26Å; L245-H247 PolarHBondContact O-N 2.99Å; L245-H247 VanDerWaalsContact O-N 3.09Å; L245-Y248 HydrophobicContact CD2-CD2 4.37Å; L245-Y248 PolarHBondContact O-N 3.39Å; L245-T249 HydrophobicContact CB-CG2 4.06Å; L245-T249 WeakPolarHBondContact O-CG2 3.43Å; L245-T249 PolarHBondContact O-N 2.96Å; L245-T249 PolarHBondContact O-OG1 2.83Å
246I68.2Low72Confident40 Ų4045 Ų4521%0.20523%0.23CC..THydrogen-bonded Turntrans-54.2-32.9-169.7-164.8166.1000115.2N242 S243 R253N242-I246 WeakPolarHBondContact O-CB 3.16Å; N242-I246 PolarHBondContact O-N 2.93Å; S243-I246 WeakPolarHBondContact O-CG2 3.28Å; I246-R253 PolarHBondContact O-NH2 3.05Å
247H65.4Low72.3Confident91 Ų9143.3 Ų43.342%0.42122%0.221SC..THydrogen-bonded Turntrans-83.7-28.3180-61.2-78.1000112.7L245 V469L245-H247 VanDerWaalsContact C-N 3.26Å; L245-H247 PolarHBondContact O-N 2.99Å; L245-H247 VanDerWaalsContact O-N 3.09Å; H247-V469 HydrophobicContact CB-CG1 3.66Å; H247-V469 WeakPolarHBondContact O-CG1 3.31Å
248Y72.9Confident72.6Confident47 Ų4741.9 Ų41.918%0.18421%0.214CC..THydrogen-bonded Turntrans-85.1-38.5-179.8-51.2-50.6000112.1F93 L94 L244 L245 G250 V469 N470F93-Y248 HydrophobicContact CD2-CD1 4.32Å; F93-Y248 HydrophobicContact CD2-CG 4.09Å; F93-Y248 HydrophobicContact CE2-CG 4.44Å; L94-Y248 HydrophobicContact CD2-CD1 3.37Å; L94-Y248 HydrophobicContact CD2-CD2 4.38Å; L94-Y248 HydrophobicContact CD2-CE1 3.14Å; L94-Y248 HydrophobicContact CD2-CE2 4.2Å; L94-Y248 HydrophobicContact CD2-CG 4.02Å; L244-Y248 WeakPolarHBondContact O-CD2 3.32Å; L244-Y248 WeakPolarHBondContact O-CE2 3.42Å; L245-Y248 HydrophobicContact CD2-CD2 4.37Å; L245-Y248 PolarHBondContact O-N 3.39Å; Y248-G250 PolarHBondContact O-N 3.49Å; Y248-V469 HydrophobicContact CD1-CB 3.92Å; Y248-V469 HydrophobicContact CD1-CG1 3.53Å; Y248-V469 HydrophobicContact CD1-CG2 4.3Å; Y248-V469 HydrophobicContact CE1-CB 3.82Å; Y248-V469 HydrophobicContact CE1-CG1 3.83Å; Y248-V469 HydrophobicContact CE1-CG2 4.44Å; Y248-N470 PolarHBondContact OH-ND2 3.41Å; Y248-N470 PolarHBondContact OH-OD1 3Å
249T75.1Confident73.1Confident16 Ų1639.1 Ų39.110%0.09820%0.199CC..SBendtrans-785.2-175.658.50000114.3L240 L245 R251 L252 R253L240-T249 HydrophobicContact CD2-CG2 3.72Å; L240-T249 PolarHBondContact O-OG1 3.41Å; L245-T249 HydrophobicContact CB-CG2 4.06Å; L245-T249 WeakPolarHBondContact O-CG2 3.43Å; L245-T249 PolarHBondContact O-N 2.96Å; L245-T249 PolarHBondContact O-OG1 2.83Å; T249-R251 PolarHBondContact O-N 3.09Å; T249-L252 PolarHBondContact O-N 3.21Å; T249-R253 WeakPolarHBondContact O-CB 3.45Å; T249-R253 PolarHBondContact O-N 2.81Å; T249-R253 PolarHBondContact OG1-NH1 2.78Å; T249-R253 VanDerWaalsContact OG1-NH1 3.12Å
250G76.2Confident73.8Confident4 Ų434.8 Ų34.84%0.04118%0.177CC..Hα-helixtrans-53.8-57.5-169.600000114.9Y248 L252 R253 F254 I411 T478Y248-G250 PolarHBondContact O-N 3.49Å; G250-L252 PolarHBondContact O-N 2.99Å; G250-R253 PolarHBondContact O-N 2.88Å; G250-F254 WeakPolarHBondContact O-CB 3.36Å; G250-F254 PolarHBondContact O-N 2.95Å; G250-I411 WeakPolarHBondContact O-CD1 3.45Å; G250-T478 CarbonylContact C-O 3.54Å; G250-T478 WeakPolarHBondContact CA-O 3.46Å
251R82.4Confident74.7Confident12 Ų1234.4 Ų34.45%0.04518%0.175CC..Hα-helixtrans-60.3-43.4177.8-65.9177.688.6-164.512.8111.9N76 S88 I89 T249 F254 L255 L477 T478 D483N76-R251 PolarHBondContact O-NH2 2.85Å; S88-R251 PolarHBondContact OG-NH1 3.43Å; I89-R251 HydrophobicContact CD1-CB 4.18Å; I89-R251 HydrophobicContact CG1-CB 3.98Å; I89-R251 HydrophobicContact CG2-CB 4.39Å; T249-R251 PolarHBondContact O-N 3.09Å; R251-F254 PolarHBondContact O-N 3.23Å; R251-L255 WeakPolarHBondContact O-CB 3.36Å; R251-L255 PolarHBondContact O-N 3.22Å; R251-L477 WeakPolarHBondContact CD-O 3.29Å; R251-L477 WeakPolarHBondContact CG-O 3.45Å; R251-T478 PolarHBondContact N-O 2.93Å; R251-D483 IonicContact CZ-OD1 2.71Å; R251-D483 IonicContact CZ-OD2 2.89Å; R251-D483 IonicContact NE-OD1 3.17Å; R251-D483 IonicContact NE-OD2 2.84Å; R251-D483 PolarHBondContact NE-OD2 2.93Å; R251-D483 IonicContact NH2-OD1 2.7Å; R251-D483 PolarHBondContact NH2-OD1 3.48Å; R251-D483 IonicContact NH2-OD2 3.59Å
252L82.1Confident75.8Confident43 Ų4331.9 Ų31.923%0.22517%0.165CC..Hα-helixtrans-61.2-47.2179.5-172.370.4000111.2I89 L240 T249 G250 L255 L256I89-L252 HydrophobicContact CG2-CB 3.73Å; I89-L252 HydrophobicContact CG2-CD1 4.02Å; I89-L252 HydrophobicContact CG2-CG 4.45Å; L240-L252 HydrophobicContact CD2-CD2 4.06Å; T249-L252 PolarHBondContact O-N 3.21Å; G250-L252 PolarHBondContact O-N 2.99Å; L252-L255 PolarHBondContact O-N 3.44Å; L252-L256 HydrophobicContact CD1-CD1 4.19Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CG 3.29Å; L252-L256 PolarHBondContact O-N 3.27Å
253R80Confident76.7Confident9 Ų931.3 Ų31.33%0.03416%0.158CC..Hα-helixtrans-72.1-28.3179.5-168.717466.5-125.1-5.4112.3L240 I246 T249 G250 N257 H409 I411L240-R253 PolarHBondContact O-NH1 2.86Å; I246-R253 PolarHBondContact O-NH2 3.05Å; T249-R253 WeakPolarHBondContact O-CB 3.45Å; T249-R253 PolarHBondContact O-N 2.81Å; T249-R253 PolarHBondContact OG1-NH1 2.78Å; T249-R253 VanDerWaalsContact OG1-NH1 3.12Å; G250-R253 PolarHBondContact O-N 2.88Å; R253-N257 CarbonylContact O-C 3.5Å; R253-N257 WeakPolarHBondContact O-CA 3.34Å; R253-N257 PolarHBondContact O-N 2.93Å; R253-H409 PolarHBondContact NH2-CD2 3.04Å; R253-H409 VanDerWaalsContact NH2-CD2 3.26Å; R253-H409 PolarHBondContact NH2-NE2 3.36Å; R253-I411 HydrophobicContact CB-CD1 4.13Å; R253-I411 HydrophobicContact CG-CD1 4.39Å
254F80Confident77.9Confident5 Ų528.3 Ų28.32%0.02214%0.137CC..Hα-helixtrans-68.6-41.6170.1168.8-109.2000111.6G250 R251 G258 I260 I411 Q413 I484G250-F254 WeakPolarHBondContact O-CB 3.36Å; G250-F254 PolarHBondContact O-N 2.95Å; R251-F254 PolarHBondContact O-N 3.23Å; F254-G258 WeakPolarHBondContact O-CA 3.32Å; F254-G258 PolarHBondContact O-N 3.15Å; F254-G258 VanDerWaalsContact O-N 3.16Å; F254-I260 HydrophobicContact CE2-CD1 4.35Å; F254-I260 HydrophobicContact CE2-CG1 4.35Å; F254-I260 HydrophobicContact CZ-CD1 4.26Å; F254-I411 HydrophobicContact CB-CD1 4.14Å; F254-I411 HydrophobicContact CB-CG2 4.42Å; F254-I411 HydrophobicContact CD2-CG2 4.22Å; F254-Q413 HydrophobicContact CE2-CG 4.28Å; F254-I484 HydrophobicContact CE1-CG1 3.95Å; F254-I484 HydrophobicContact CE2-CD1 3.99Å; F254-I484 HydrophobicContact CE2-CG1 4.32Å; F254-I484 HydrophobicContact CZ-CD1 3.55Å; F254-I484 HydrophobicContact CZ-CG1 3.45Å; F254-I484 VanDerWaalsContact CZ-CG1 3.45Å
255L82.4Confident79Confident2 Ų225.4 Ų25.41%0.0112%0.123CC..Hα-helixtrans-67.6-39.5176170133.6000112.9Y85 L86 R251 L252 L283Y85-L255 HydrophobicContact CD1-CD1 4.39Å; Y85-L255 HydrophobicContact CE1-CD1 3.47Å; Y85-L255 VanDerWaalsContact CE1-CD1 3.47Å; L86-L255 HydrophobicContact CD2-CD1 4.5Å; L86-L255 HydrophobicContact CD2-CD2 4.38Å; R251-L255 WeakPolarHBondContact O-CB 3.36Å; R251-L255 PolarHBondContact O-N 3.22Å; L252-L255 PolarHBondContact O-N 3.44Å; L255-L283 HydrophobicContact CD1-CD1 4.22Å; L255-L283 HydrophobicContact CD2-CD1 3.73Å; L255-L283 HydrophobicContact CG-CD1 4.17Å
256L77.5Confident79.7Confident11 Ų1126.2 Ų26.26%0.05813%0.128CC..Hα-helixtrans-86.9-31.6-178.5-65.6174.7000114.5L240 L252 F382 L384L240-L256 HydrophobicContact CD1-CD1 4.42Å; L252-L256 HydrophobicContact CD1-CD1 4.19Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 WeakPolarHBondContact O-CG 3.29Å; L252-L256 PolarHBondContact O-N 3.27Å; L256-F382 HydrophobicContact CB-CB 4.23Å; L256-F382 HydrophobicContact CB-CD1 4.05Å; L256-F382 HydrophobicContact CB-CD2 4.2Å; L256-F382 HydrophobicContact CB-CG 3.88Å; L256-F382 HydrophobicContact CD1-CD2 3.87Å; L256-F382 HydrophobicContact CD1-CE2 3.76Å; L256-F382 HydrophobicContact CD1-CG 4.38Å; L256-F382 HydrophobicContact CD1-CZ 4.17Å; L256-F382 HydrophobicContact CD2-CD2 4.12Å; L256-F382 HydrophobicContact CD2-CG 4.43Å; L256-F382 HydrophobicContact CG-CD2 4.29Å; L256-F382 HydrophobicContact CG-CG 4.45Å; L256-L384 HydrophobicContact CD2-CD2 4.03Å
257N75.1Confident80.3Confident18 Ų1831 Ų3110%0.09615%0.149CC..Hα-helixtrans-150.845.4-168-161.1-7.3000111.9R253 F382R253-N257 CarbonylContact O-C 3.5Å; R253-N257 WeakPolarHBondContact O-CA 3.34Å; R253-N257 PolarHBondContact O-N 2.93Å; N257-F382 HydrophobicContact CB-CD1 4.41Å
258G75.4Confident80.9Confident2 Ų229.7 Ų29.72%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-99141.9177.300000113.3F254F254-G258 WeakPolarHBondContact O-CA 3.32Å; F254-G258 PolarHBondContact O-N 3.15Å; F254-G258 VanDerWaalsContact O-N 3.16Å
259Y80.1Confident81.4Confident47 Ų4727.5 Ų27.518%0.18413%0.132CC..EExtended strand (participates in β ladder)trans-113136.6175.8-70.8-115.2000109.6H387 Y389 P410 I411 V412 Q413Y259-H387 HydrophobicContact CD1-CB 3.41Å; Y259-H387 VanDerWaalsContact CD1-CB 3.41Å; Y259-H387 HydrophobicContact CE1-CB 3.55Å; Y259-H387 AromaticContact CE1-CD2 3.37Å; Y259-H387 WeakPolarHBondContact CE1-CD2 3.47Å; Y259-H387 AromaticContact CE1-CG 3.57Å; Y259-H387 HydrophobicContact CG-CB 4.06Å; Y259-H387 AromaticContact CZ-CD2 3.38Å; Y259-H387 PolarHBondContact OH-CD2 3.23Å; Y259-Y389 HydrophobicContact CD1-CE2 4.27Å; Y259-Y389 HydrophobicContact CE1-CE2 4.46Å; Y259-P410 HydrophobicContact CD2-CB 3.51Å; Y259-P410 HydrophobicContact CD2-CG 3.6Å; Y259-P410 HydrophobicContact CE2-CB 3.55Å; Y259-P410 HydrophobicContact CE2-CG 3.52Å; Y259-P410 HydrophobicContact CG-CG 4.4Å; Y259-I411 PolarHBondContact N-O 2.73Å; Y259-V412 WeakPolarHBondContact O-CA 3.43Å; Y259-Q413 PolarHBondContact O-N 2.91Å
260I84.6Confident81.9Confident3 Ų329.7 Ų29.72%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-127.4110.4-177.9-57.7173.6000108.8F254 M273 H387 I388 Y389 Q413 I415 I484F254-I260 HydrophobicContact CE2-CD1 4.35Å; F254-I260 HydrophobicContact CE2-CG1 4.35Å; F254-I260 HydrophobicContact CZ-CD1 4.26Å; I260-M273 HydrophobicContact CG2-SD 4.26Å; I260-H387 PolarHBondContact N-O 3.37Å; I260-I388 HydrophobicContact CB-CG1 4.22Å; I260-I388 HydrophobicContact CB-CG2 4.19Å; I260-I388 HydrophobicContact CD1-CD1 4.24Å; I260-I388 HydrophobicContact CD1-CG1 4.37Å; I260-I388 HydrophobicContact CG2-CG2 4.24Å; I260-I388 CarbonylContact O-C 3.57Å; I260-I388 VanDerWaalsContact O-CA 3.24Å; I260-I388 WeakPolarHBondContact O-CA 3.41Å; I260-Y389 PolarHBondContact O-N 2.8Å; I260-Q413 WeakPolarHBondContact CA-O 3.43Å; I260-I415 HydrophobicContact CG2-CD1 3.61Å; I260-I415 HydrophobicContact CG2-CG1 4.11Å; I260-I484 HydrophobicContact CD1-CD1 3.75Å; I260-I484 HydrophobicContact CG1-CD1 4.11Å
261F87.2Confident82.2Confident8 Ų832.2 Ų32.24%0.03515%0.154CC..EExtended strand (participates in β ladder)trans-93.8137.8171.2-67.2-87.3000109.2Y389 V391 F397 Y400 M401 F404 V412 Q413 G414 I415F261-Y389 CarbonylContact C-O 3.57Å; F261-Y389 WeakPolarHBondContact CA-O 3.38Å; F261-Y389 HydrophobicContact CD1-CD2 4.29Å; F261-Y389 HydrophobicContact CD1-CG 4.42Å; F261-Y389 AromaticContact CE1-CD2 3.6Å; F261-Y389 HydrophobicContact CE1-CD2 3.6Å; F261-Y389 HydrophobicContact CE1-CG 4.02Å; F261-Y389 AromaticContact CZ-CD2 3.85Å; F261-Y389 HydrophobicContact CZ-CD2 3.85Å; F261-V391 HydrophobicContact CD1-CG2 3.95Å; F261-F397 HydrophobicContact CB-CD2 4.03Å; F261-F397 HydrophobicContact CB-CE2 3.95Å; F261-Y400 HydrophobicContact CD1-CD2 4.44Å; F261-Y400 HydrophobicContact CE1-CD2 4.32Å; F261-Y400 HydrophobicContact CE1-CG 4.1Å; F261-M401 HydrophobicContact CB-SD 4.29Å; F261-M401 HydrophobicContact CD2-SD 4.01Å; F261-M401 HydrophobicContact CG-SD 4.46Å; F261-F404 AromaticContact CE2-CD2 3.99Å; F261-F404 HydrophobicContact CE2-CD2 3.99Å; F261-F404 AromaticContact CE2-CE2 3.87Å; F261-F404 HydrophobicContact CE2-CE2 3.87Å; F261-F404 HydrophobicContact CZ-CD2 4.31Å; F261-F404 AromaticContact CZ-CE2 3.75Å; F261-F404 HydrophobicContact CZ-CE2 3.75Å; F261-V412 HydrophobicContact CD2-CG1 3.57Å; F261-V412 HydrophobicContact CE2-CG1 3.61Å; F261-Q413 PolarHBondContact N-O 3.01Å; F261-G414 CarbonylContact O-C 3.57Å; F261-G414 WeakPolarHBondContact O-CA 3.47Å; F261-I415 PolarHBondContact O-N 3.16Å
262Y89.5Confident82.4Confident20 Ų2031.6 Ų31.68%0.07815%0.152CC..EExtended strand (participates in β ladder)trans-134.2153.6174.471-82.2000114.5V265 N270 M273 I388 Y389 G390 V391 I415Y262-V265 HydrophobicContact CE2-CG2 4.17Å; Y262-N270 PolarHBondContact OH-OD1 2.81Å; Y262-M273 HydrophobicContact CD1-CG 3.89Å; Y262-M273 HydrophobicContact CD1-SD 4.41Å; Y262-M273 HydrophobicContact CD2-CG 4.26Å; Y262-M273 HydrophobicContact CE1-CB 4.37Å; Y262-M273 HydrophobicContact CE1-CG 4.06Å; Y262-M273 HydrophobicContact CE2-CG 4.42Å; Y262-M273 HydrophobicContact CG-CG 4Å; Y262-I388 HydrophobicContact CD1-CG2 3.63Å; Y262-I388 HydrophobicContact CE1-CG2 3.59Å; Y262-Y389 PolarHBondContact N-O 2.88Å; Y262-G390 VanDerWaalsContact CZ-CA 3.47Å; Y262-V391 PolarHBondContact O-N 2.9Å; Y262-I415 CarbonylContact C-O 3.2Å; Y262-I415 WeakPolarHBondContact CA-O 3.41Å; Y262-I415 WeakPolarHBondContact CB-O 3.39Å
263Y87.4Confident82.6Confident57 Ų5729.8 Ų29.822%0.22414%0.142CC..EExtended strand (participates in β ladder)trans-147.7141.3179.3172.5-86.1000110.4V391 Q394 I415 L416 F417Y263-V391 VanDerWaalsContact CD2-O 3.28Å; Y263-V391 WeakPolarHBondContact CD2-O 3.29Å; Y263-Q394 HydrophobicContact CD1-CB 4.46Å; Y263-Q394 HydrophobicContact CD1-CG 4.48Å; Y263-Q394 HydrophobicContact CD2-CB 4.33Å; Y263-Q394 HydrophobicContact CE1-CB 4.08Å; Y263-Q394 HydrophobicContact CE1-CG 4.33Å; Y263-Q394 HydrophobicContact CE2-CB 3.99Å; Y263-Q394 VanDerWaalsContact CE2-N 3.27Å; Y263-I415 PolarHBondContact N-O 2.97Å; Y263-L416 HydrophobicContact CD1-CD1 3.51Å; Y263-L416 HydrophobicContact CD1-CG 3.97Å; Y263-L416 HydrophobicContact CE1-CD1 4.27Å; Y263-L416 HydrophobicContact CG-CD1 4.15Å; Y263-L416 WeakPolarHBondContact O-CA 3.37Å; Y263-F417 PolarHBondContact O-N 3.45Å
264P86.4Confident82.9Confident29 Ų2934.2 Ų34.219%0.18816%0.159CC..SBendcis-79.7167.4-11.334.6-34.6000111.9T269P264-T269 PolarHBondContact O-OG1 2.92Å
265V83.1Confident83.1Confident47 Ų4735.7 Ų35.729%0.28517%0.165SC..  trans-90.9118.7174.6-174.20000109.2Y262 N270 V391 N392Y262-V265 HydrophobicContact CE2-CG2 4.17Å; V265-N270 VanDerWaalsContact CG1-OD1 3.32Å; V265-N270 WeakPolarHBondContact CG1-OD1 3.36Å; V265-V391 VanDerWaalsContact CG2-N 3.33Å; V265-N392 WeakPolarHBondContact CB-OD1 3.33Å; V265-N392 VanDerWaalsContact CG2-OD1 3.28Å; V265-N392 WeakPolarHBondContact CG2-OD1 3.28Å
266N83Confident83.2Confident40 Ų4035.8 Ų35.821%0.21417%0.166CC..  trans-151.7168.2168.268.240.6000109.4W268 T269 N270N266-W268 PolarHBondContact O-N 3.1Å; N266-W268 WeakPolarHBondContact OD1-CA 3.4Å; N266-W268 WeakPolarHBondContact OD1-CB 3.39Å; N266-W268 PolarHBondContact OD1-N 2.9Å; N266-T269 PolarHBondContact N-OG1 3.06Å; N266-T269 PolarHBondContact O-N 3.16Å; N266-T269 PolarHBondContact O-OG1 3.24Å; N266-T269 PolarHBondContact OD1-N 2.85Å; N266-T269 PolarHBondContact OD1-OG1 2.95Å; N266-N270 WeakPolarHBondContact O-CB 3.46Å; N266-N270 PolarHBondContact O-N 3.24Å; N266-N270 PolarHBondContact O-OD1 3.24Å
267Q80.7Confident83.4Confident140 Ų14036.8 Ų36.865%0.65417%0.171SC*.Hα-helixtrans-54.5-31.8-175.8-170.2178900113.6E271 H426Q267-E271 WeakPolarHBondContact O-CB 3.47Å; Q267-E271 PolarHBondContact O-N 2.88Å; Q267-H426 PolarHBondContact OE1-CE1 3.04Å
268W77.3Confident83.7Confident63 Ų6337.4 Ų37.424%0.23917%0.173CC..Hα-helixtrans-77.2-44.5-179.2-142.573000112.3N266 N270 E271 I272 I492 I495N266-W268 PolarHBondContact O-N 3.1Å; N266-W268 WeakPolarHBondContact OD1-CA 3.4Å; N266-W268 WeakPolarHBondContact OD1-CB 3.39Å; N266-W268 PolarHBondContact OD1-N 2.9Å; W268-N270 VanDerWaalsContact C-N 3.3Å; W268-N270 PolarHBondContact O-N 3.06Å; W268-E271 PolarHBondContact O-N 3.11Å; W268-I272 HydrophobicContact CD2-CD1 4.28Å; W268-I272 HydrophobicContact CE3-CD1 3.53Å; W268-I272 HydrophobicContact CH2-CD1 4.48Å; W268-I272 HydrophobicContact CZ3-CD1 3.66Å; W268-I272 VanDerWaalsContact O-CG1 3.31Å; W268-I272 WeakPolarHBondContact O-CG1 3.33Å; W268-I272 PolarHBondContact O-N 3.26Å; W268-I492 HydrophobicContact CH2-CG2 4.45Å; W268-I495 HydrophobicContact CZ2-CG2 3.74Å
269T84.5Confident84.1Confident1 Ų137.6 Ų37.61%0.00617%0.174CC..Hα-helixtrans-67.7-32.1174.156.70000111.8P264 N266 M273 F417P264-T269 PolarHBondContact O-OG1 2.92Å; N266-T269 PolarHBondContact N-OG1 3.06Å; N266-T269 PolarHBondContact O-N 3.16Å; N266-T269 PolarHBondContact O-OG1 3.24Å; N266-T269 PolarHBondContact OD1-N 2.85Å; N266-T269 PolarHBondContact OD1-OG1 2.95Å; T269-M273 WeakPolarHBondContact O-CB 3.46Å; T269-M273 VanDerWaalsContact O-CG 3.27Å; T269-M273 WeakPolarHBondContact O-CG 3.44Å; T269-M273 PolarHBondContact O-N 2.86Å; T269-F417 HydrophobicContact CG2-CD2 3.66Å; T269-F417 HydrophobicContact CG2-CE2 3.83Å; T269-F417 HydrophobicContact CG2-CG 4.05Å; T269-F417 HydrophobicContact CG2-CZ 4.34Å
270N84.1Confident84.2Confident62 Ų6235.8 Ų35.833%0.33217%0.167SC..Hα-helixtrans-65.2-48.7173.3-65.117.1000111.8Y262 V265 N266 W268 M273 Y274Y262-N270 PolarHBondContact OH-OD1 2.81Å; V265-N270 VanDerWaalsContact CG1-OD1 3.32Å; V265-N270 WeakPolarHBondContact CG1-OD1 3.36Å; N266-N270 WeakPolarHBondContact O-CB 3.46Å; N266-N270 PolarHBondContact O-N 3.24Å; N266-N270 PolarHBondContact O-OD1 3.24Å; W268-N270 VanDerWaalsContact C-N 3.3Å; W268-N270 PolarHBondContact O-N 3.06Å; N270-M273 PolarHBondContact O-N 3.16Å; N270-Y274 WeakPolarHBondContact O-CB 3.4Å; N270-Y274 PolarHBondContact O-N 3.2Å
271E83.7Confident84.2Confident57 Ų5737.8 Ų37.827%0.26617%0.174SC..Hα-helixtrans-65-37.6178.1177.165.9-167.700111.8Q267 W268 Y274 R275 I495Q267-E271 WeakPolarHBondContact O-CB 3.47Å; Q267-E271 PolarHBondContact O-N 2.88Å; W268-E271 PolarHBondContact O-N 3.11Å; E271-Y274 PolarHBondContact O-N 2.75Å; E271-R275 WeakPolarHBondContact O-CG 3.25Å; E271-R275 PolarHBondContact O-N 3.04Å; E271-R275 VanDerWaalsContact O-N 3.13Å; E271-R275 IonicContact OE1-CZ 3.61Å; E271-R275 IonicContact OE1-NE 3.46Å; E271-R275 PolarHBondContact OE1-NE 3.22Å; E271-R275 IonicContact OE1-NH2 3.12Å; E271-R275 PolarHBondContact OE1-NH2 2.95Å; E271-R275 VanDerWaalsContact OE1-NH2 3.1Å; E271-I495 HydrophobicContact CB-CD1 4.44Å; E271-I495 HydrophobicContact CG-CD1 3.8Å; E271-I495 HydrophobicContact CG-CG1 4.33Å
272I86.4Confident84Confident0 Ų037.7 Ų37.70%017%0.174CC..Hα-helixtrans-58-52.8170.5-71.4165.1000110.4W268 Y274 R275 V276 F417 I488 A491 I492 I495W268-I272 HydrophobicContact CD2-CD1 4.28Å; W268-I272 HydrophobicContact CE3-CD1 3.53Å; W268-I272 HydrophobicContact CH2-CD1 4.48Å; W268-I272 HydrophobicContact CZ3-CD1 3.66Å; W268-I272 VanDerWaalsContact O-CG1 3.31Å; W268-I272 WeakPolarHBondContact O-CG1 3.33Å; W268-I272 PolarHBondContact O-N 3.26Å; I272-Y274 VanDerWaalsContact C-N 3.28Å; I272-Y274 PolarHBondContact O-N 3.37Å; I272-R275 PolarHBondContact O-N 2.92Å; I272-V276 HydrophobicContact CG2-CG2 4.49Å; I272-V276 VanDerWaalsContact O-CG2 3.27Å; I272-V276 WeakPolarHBondContact O-CG2 3.22Å; I272-V276 PolarHBondContact O-N 2.99Å; I272-V276 VanDerWaalsContact O-N 3.09Å; I272-F417 HydrophobicContact CG2-CZ 4.31Å; I272-I488 HydrophobicContact CG2-CG2 4.18Å; I272-A491 HydrophobicContact CG2-CB 4.17Å; I272-I492 HydrophobicContact CD1-CD1 4.37Å; I272-I492 HydrophobicContact CD1-CG1 3.73Å; I272-I492 HydrophobicContact CG1-CG1 4.16Å; I272-I495 HydrophobicContact CG1-CD1 3.66Å
273M86.8Confident83.7Confident4 Ų437.3 Ų37.32%0.0217%0.173CC..Hα-helixtrans-65.6-30.1-178.1-72.1-67.7141.200112.9I260 Y262 T269 N270 V276 I388 I415 F417 I488I260-M273 HydrophobicContact CG2-SD 4.26Å; Y262-M273 HydrophobicContact CD1-CG 3.89Å; Y262-M273 HydrophobicContact CD1-SD 4.41Å; Y262-M273 HydrophobicContact CD2-CG 4.26Å; Y262-M273 HydrophobicContact CE1-CB 4.37Å; Y262-M273 HydrophobicContact CE1-CG 4.06Å; Y262-M273 HydrophobicContact CE2-CG 4.42Å; Y262-M273 HydrophobicContact CG-CG 4Å; T269-M273 WeakPolarHBondContact O-CB 3.46Å; T269-M273 VanDerWaalsContact O-CG 3.27Å; T269-M273 WeakPolarHBondContact O-CG 3.44Å; T269-M273 PolarHBondContact O-N 2.86Å; N270-M273 PolarHBondContact O-N 3.16Å; M273-V276 PolarHBondContact O-N 3.23Å; M273-I388 HydrophobicContact CB-CG2 4.25Å; M273-I388 HydrophobicContact CG-CG2 4.41Å; M273-I388 HydrophobicContact SD-CG2 4.36Å; M273-I415 HydrophobicContact CE-CB 4.44Å; M273-I415 HydrophobicContact CE-CD1 3.96Å; M273-I415 HydrophobicContact CE-CG2 4.04Å; M273-I415 HydrophobicContact SD-CD1 4.46Å; M273-F417 HydrophobicContact CE-CE2 3.83Å; M273-F417 HydrophobicContact CE-CZ 3.63Å; M273-I488 HydrophobicContact CE-CD1 3.73Å; M273-I488 HydrophobicContact CE-CG1 4.16Å
274Y85.1Confident83.4Confident102 Ų10236.9 Ų36.940%0.417%0.174SC..Hα-helixtrans-66.5-41.1174.1-178.7-95.7000112.7N270 E271 I272 M277 R281 E501N270-Y274 WeakPolarHBondContact O-CB 3.4Å; N270-Y274 PolarHBondContact O-N 3.2Å; E271-Y274 PolarHBondContact O-N 2.75Å; I272-Y274 VanDerWaalsContact C-N 3.28Å; I272-Y274 PolarHBondContact O-N 3.37Å; Y274-M277 PolarHBondContact O-N 2.87Å; Y274-R281 VanDerWaalsContact CE1-NH1 3.27Å; Y274-R281 PolarHBondContact O-NH1 3.1Å; Y274-R281 PolarHBondContact OH-NH2 3.31Å; Y274-E501 WeakPolarHBondContact CE1-OE2 3.39Å
275R84.6Confident83.3Confident36 Ų3637.9 Ų37.914%0.13618%0.178CC..Hα-helixtrans-69.9-33.3175.6-68.8-175-172.3-1458.7112.7E271 I272 M277 E278 A491 E494 I499E271-R275 WeakPolarHBondContact O-CG 3.25Å; E271-R275 PolarHBondContact O-N 3.04Å; E271-R275 VanDerWaalsContact O-N 3.13Å; E271-R275 IonicContact OE1-CZ 3.61Å; E271-R275 IonicContact OE1-NE 3.46Å; E271-R275 PolarHBondContact OE1-NE 3.22Å; E271-R275 IonicContact OE1-NH2 3.12Å; E271-R275 PolarHBondContact OE1-NH2 2.95Å; E271-R275 VanDerWaalsContact OE1-NH2 3.1Å; I272-R275 PolarHBondContact O-N 2.92Å; R275-M277 PolarHBondContact O-N 2.86Å; R275-M277 VanDerWaalsContact O-N 3.11Å; R275-E278 PolarHBondContact O-N 2.86Å; R275-A491 HydrophobicContact CB-CB 3.82Å; R275-E494 IonicContact CZ-OE2 2.65Å; R275-E494 IonicContact NH1-OE2 2.73Å; R275-E494 PolarHBondContact NH1-OE2 3.15Å; R275-I499 PolarHBondContact NH1-O 3.43Å
276V85.1Confident83.4Confident5 Ų537.3 Ų37.33%0.0317%0.173CC..Hα-helixtrans-58.7-22.3175.7169.40000112.9I272 M273 E278 L487 I488I272-V276 HydrophobicContact CG2-CG2 4.49Å; I272-V276 VanDerWaalsContact O-CG2 3.27Å; I272-V276 WeakPolarHBondContact O-CG2 3.22Å; I272-V276 PolarHBondContact O-N 2.99Å; I272-V276 VanDerWaalsContact O-N 3.09Å; M273-V276 PolarHBondContact O-N 3.23Å; V276-E278 VanDerWaalsContact C-N 3.3Å; V276-E278 PolarHBondContact O-N 3.4Å; V276-L487 HydrophobicContact CB-CB 4.34Å; V276-L487 HydrophobicContact CG1-CB 4.04Å; V276-L487 HydrophobicContact CG1-CD1 4.41Å; V276-L487 HydrophobicContact CG2-CB 4.15Å; V276-I488 HydrophobicContact CG2-CB 4.34Å; V276-I488 HydrophobicContact CG2-CG1 3.54Å
277M81.6Confident83.5Confident32 Ų3236.9 Ų36.916%0.15817%0.169CC..THydrogen-bonded Turntrans-80.38.2177.9-68.7-17559.800115.6Y274 R275 Q280 R281 T386 I388Y274-M277 PolarHBondContact O-N 2.87Å; R275-M277 PolarHBondContact O-N 2.86Å; R275-M277 VanDerWaalsContact O-N 3.11Å; M277-Q280 PolarHBondContact O-N 3.42Å; M277-Q280 PolarHBondContact O-OE1 3.43Å; M277-R281 HydrophobicContact CB-CG 4.1Å; M277-R281 WeakPolarHBondContact O-CB 3.46Å; M277-R281 WeakPolarHBondContact O-CG 3.27Å; M277-R281 PolarHBondContact O-N 3.3Å; M277-T386 VanDerWaalsContact CE-OG1 3.3Å; M277-T386 WeakPolarHBondContact CE-OG1 3.05Å; M277-I388 HydrophobicContact CG-CD1 3.48Å; M277-I388 VanDerWaalsContact CG-CD1 3.48Å; M277-I388 HydrophobicContact CG-CG1 4.43Å; M277-I388 HydrophobicContact SD-CD1 3.62Å; M277-I388 HydrophobicContact SD-CG1 4.08Å
278E81.3Confident83.6Confident31 Ų3134.6 Ų34.615%0.14516%0.162CC..Hα-helixtrans-45.5-54.5-179.6-173.9-177.4-147.700113.8R275 V276 Q280 R281 L282 R502 I503R275-E278 PolarHBondContact O-N 2.86Å; V276-E278 VanDerWaalsContact C-N 3.3Å; V276-E278 PolarHBondContact O-N 3.4Å; E278-Q280 PolarHBondContact O-N 3.31Å; E278-R281 PolarHBondContact O-N 2.87Å; E278-L282 HydrophobicContact CG-CD1 4.29Å; E278-L282 WeakPolarHBondContact O-CG 3.46Å; E278-L282 PolarHBondContact O-N 3.47Å; E278-R502 VanDerWaalsContact OE1-CD 3.23Å; E278-R502 WeakPolarHBondContact OE1-CD 3.37Å; E278-R502 IonicContact OE1-NH1 2.72Å; E278-R502 IonicContact OE2-NH1 2.68Å; E278-I503 HydrophobicContact CG-CD1 4.41Å
279P84Confident83.9Confident6 Ų631.7 Ų31.74%0.03915%0.151CC..Hα-helixtrans-69.3-33.1-175.125.6-32.3000113.9L82 Y85 L283 L487L82-P279 HydrophobicContact CD1-CB 4.08Å; Y85-P279 HydrophobicContact CE1-CB 4.2Å; P279-L283 WeakPolarHBondContact O-CG 3.4Å; P279-L283 PolarHBondContact O-N 3.32Å; P279-L487 HydrophobicContact CG-CD1 4.18Å
280Q82.8Confident83.9Confident9 Ų932.4 Ų32.44%0.04215%0.154CC..Hα-helixtrans-74-36.1175.2-59.992.3-20.800111.6M277 E278 L282 L283 I284 T386M277-Q280 PolarHBondContact O-N 3.42Å; M277-Q280 PolarHBondContact O-OE1 3.43Å; E278-Q280 PolarHBondContact O-N 3.31Å; Q280-L282 VanDerWaalsContact C-N 3.33Å; Q280-L282 PolarHBondContact O-N 3.36Å; Q280-L283 WeakPolarHBondContact O-CB 3.4Å; Q280-L283 PolarHBondContact O-N 3.03Å; Q280-L283 VanDerWaalsContact O-N 3.11Å; Q280-I284 WeakPolarHBondContact O-CG1 3.34Å; Q280-I284 PolarHBondContact O-N 3.12Å; Q280-T386 HydrophobicContact CB-CG2 4.45Å; Q280-T386 HydrophobicContact CG-CG2 3.76Å
281R82.8Confident83.8Confident45 Ų4532.5 Ų32.517%0.1715%0.152CC..Hα-helixtrans-65.7-34.9174.8-74.4168.658.6-147.1-11.4112Y274 M277 E278 L283 I284 L285 E501 I503Y274-R281 VanDerWaalsContact CE1-NH1 3.27Å; Y274-R281 PolarHBondContact O-NH1 3.1Å; Y274-R281 PolarHBondContact OH-NH2 3.31Å; M277-R281 HydrophobicContact CB-CG 4.1Å; M277-R281 WeakPolarHBondContact O-CB 3.46Å; M277-R281 WeakPolarHBondContact O-CG 3.27Å; M277-R281 PolarHBondContact O-N 3.3Å; E278-R281 PolarHBondContact O-N 2.87Å; R281-L283 VanDerWaalsContact C-N 3.34Å; R281-I284 PolarHBondContact O-N 2.92Å; R281-L285 WeakPolarHBondContact O-CB 3.16Å; R281-L285 PolarHBondContact O-N 3.49Å; R281-E501 IonicContact CZ-OE1 2.69Å; R281-E501 IonicContact NH1-OE1 2.94Å; R281-E501 PolarHBondContact NH1-OE1 3.3Å; R281-E501 IonicContact NH2-OE1 2.74Å; R281-E501 PolarHBondContact NH2-OE1 2.89Å; R281-I503 HydrophobicContact CB-CD1 4.48Å
282L83.2Confident83.8Confident6 Ų631.4 Ų31.43%0.03115%0.147CC..Hα-helixtrans-65.1-33.9170-69.6172.7000112.9L82 E278 Q280 L285 L286 F1561 L1564L82-L282 HydrophobicContact CB-CD1 4.26Å; L82-L282 HydrophobicContact CD2-CB 3.9Å; E278-L282 HydrophobicContact CG-CD1 4.29Å; E278-L282 WeakPolarHBondContact O-CG 3.46Å; E278-L282 PolarHBondContact O-N 3.47Å; Q280-L282 VanDerWaalsContact C-N 3.33Å; Q280-L282 PolarHBondContact O-N 3.36Å; L282-L285 HydrophobicContact CD2-CD2 4.41Å; L282-L285 PolarHBondContact O-N 3.37Å; L282-L286 PolarHBondContact O-N 2.97Å; L282-F1561 HydrophobicContact CB-CE2 4.29Å; L282-F1561 WeakPolarHBondContact O-CE2 3.3Å; L282-L1564 HydrophobicContact CD1-CB 4.47Å; L282-L1564 HydrophobicContact CD2-CB 3.78Å; L282-L1564 HydrophobicContact CD2-CD1 3.8Å; L282-L1564 HydrophobicContact CD2-CG 4.39Å
283L83.5Confident83.6Confident11 Ų1132 Ų326%0.05815%0.149CC..Hα-helixtrans-73.3-33.8174.4-71.2165.8000112.7L82 L255 P279 Q280 R281 K287 L379 L384L82-L283 HydrophobicContact CD1-CG 4.38Å; L82-L283 HydrophobicContact CD2-CD2 4.11Å; L82-L283 HydrophobicContact CD2-CG 4.21Å; L255-L283 HydrophobicContact CD1-CD1 4.22Å; L255-L283 HydrophobicContact CD2-CD1 3.73Å; L255-L283 HydrophobicContact CG-CD1 4.17Å; P279-L283 WeakPolarHBondContact O-CG 3.4Å; P279-L283 PolarHBondContact O-N 3.32Å; Q280-L283 WeakPolarHBondContact O-CB 3.4Å; Q280-L283 PolarHBondContact O-N 3.03Å; Q280-L283 VanDerWaalsContact O-N 3.11Å; R281-L283 VanDerWaalsContact C-N 3.34Å; L283-K287 VanDerWaalsContact O-CB 3.32Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 3.25Å; L283-L379 HydrophobicContact CD2-CD2 4.36Å; L283-L384 HydrophobicContact CB-CD1 4.48Å; L283-L384 HydrophobicContact CB-CD2 4.22Å; L283-L384 HydrophobicContact CD1-CD2 4.44Å
284I82Confident83.3Confident48 Ų4834.8 Ų34.825%0.24616%0.162CC..Hα-helixtrans-65.8-41.2169.9-65.7165.6000110.4Q280 R281 K287 N288 L384Q280-I284 WeakPolarHBondContact O-CG1 3.34Å; Q280-I284 PolarHBondContact O-N 3.12Å; R281-I284 PolarHBondContact O-N 2.92Å; I284-K287 WeakPolarHBondContact O-CB 3.31Å; I284-K287 PolarHBondContact O-N 3.42Å; I284-N288 VanDerWaalsContact O-CG 3.23Å; I284-N288 PolarHBondContact O-N 3.2Å; I284-N288 PolarHBondContact O-OD1 3.43Å; I284-L384 HydrophobicContact CD1-CB 4.22Å; I284-L384 HydrophobicContact CG1-CB 3.71Å; I284-L384 HydrophobicContact CG1-CD1 4.44Å
285L84.5Confident83Confident50 Ų5036.1 Ų36.126%0.26218%0.175SC..Hα-helixtrans-59.4-51.1174.1179.461.3000111R281 L282 K287 N288 I289 F1561R281-L285 WeakPolarHBondContact O-CB 3.16Å; R281-L285 PolarHBondContact O-N 3.49Å; L282-L285 HydrophobicContact CD2-CD2 4.41Å; L282-L285 PolarHBondContact O-N 3.37Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 2.92Å; L285-N288 PolarHBondContact O-N 2.79Å; L285-N288 VanDerWaalsContact O-N 3.15Å; L285-I289 HydrophobicContact CD1-CD1 4Å; L285-I289 HydrophobicContact CD1-CG1 4.38Å; L285-I289 HydrophobicContact CG-CD1 3.76Å; L285-I289 WeakPolarHBondContact O-CD1 3.17Å; L285-I289 VanDerWaalsContact O-CG1 3.24Å; L285-I289 WeakPolarHBondContact O-CG1 3.47Å; L285-I289 PolarHBondContact O-N 2.74Å; L285-F1561 HydrophobicContact CD2-CB 4.28Å
286L85Confident82.7Confident35 Ų3536.6 Ų36.618%0.18318%0.179CC..Hα-helixtrans-55.9-44.7174.5178.462.9000112.4L282 N288 I289 L290 L379 F1561L282-L286 PolarHBondContact O-N 2.97Å; L286-N288 VanDerWaalsContact C-N 3.32Å; L286-N288 PolarHBondContact O-N 3.26Å; L286-I289 PolarHBondContact O-N 2.82Å; L286-L290 HydrophobicContact CD1-CD1 3.97Å; L286-L290 HydrophobicContact CD1-CG 4.05Å; L286-L290 HydrophobicContact CG-CD1 3.98Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.32Å; L286-L290 PolarHBondContact O-N 2.89Å; L286-L379 HydrophobicContact CD2-CD1 4.41Å; L286-L379 HydrophobicContact CG-CD1 4.49Å; L286-F1561 HydrophobicContact CB-CD2 4.17Å; L286-F1561 HydrophobicContact CB-CE2 3.77Å; L286-F1561 HydrophobicContact CB-CZ 3.97Å; L286-F1561 HydrophobicContact CD1-CD1 4.25Å; L286-F1561 HydrophobicContact CD1-CE1 3.91Å; L286-F1561 HydrophobicContact CD1-CZ 4.12Å; L286-F1561 HydrophobicContact CD2-CE1 4.37Å; L286-F1561 HydrophobicContact CD2-CE2 4.46Å; L286-F1561 HydrophobicContact CD2-CZ 3.88Å; L286-F1561 HydrophobicContact CG-CE1 4.5Å; L286-F1561 HydrophobicContact CG-CZ 4.21Å
287K84.1Confident82.3Confident32 Ų3236.5 Ų36.514%0.13918%0.178CC..Hα-helixtrans-58.6-43.2177.1179.6-179.9-179.5168.70112L283 I284 L285 K291 L379 D380 L384L283-K287 VanDerWaalsContact O-CB 3.32Å; L283-K287 WeakPolarHBondContact O-CB 3.19Å; L283-K287 PolarHBondContact O-N 3.25Å; I284-K287 WeakPolarHBondContact O-CB 3.31Å; I284-K287 PolarHBondContact O-N 3.42Å; L285-K287 VanDerWaalsContact C-N 3.32Å; L285-K287 PolarHBondContact O-N 2.92Å; K287-K291 WeakPolarHBondContact O-CG 3.35Å; K287-K291 PolarHBondContact O-N 3.33Å; K287-L379 HydrophobicContact CB-CB 4.24Å; K287-L379 HydrophobicContact CB-CD1 4.07Å; K287-L379 HydrophobicContact CD-CB 4.05Å; K287-L379 WeakPolarHBondContact CD-O 3.5Å; K287-L379 WeakPolarHBondContact CE-O 3.48Å; K287-L379 HydrophobicContact CG-CB 4.11Å; K287-L379 PolarHBondContact NZ-O 3.37Å; K287-D380 WeakPolarHBondContact CE-OD1 3.28Å; K287-D380 IonicContact NZ-OD1 3.74Å; K287-D380 PolarHBondContact NZ-OD1 3.23Å; K287-L384 HydrophobicContact CD-CD1 3.97Å
288N83.5Confident82.1Confident92 Ų9236.8 Ų36.849%0.49218%0.179SC..Hα-helixtrans-67.9-45.7178.9-67.8-4.5000111.2I284 L285 L286 L290 K291 Q292I284-N288 VanDerWaalsContact O-CG 3.23Å; I284-N288 PolarHBondContact O-N 3.2Å; I284-N288 PolarHBondContact O-OD1 3.43Å; L285-N288 PolarHBondContact O-N 2.79Å; L285-N288 VanDerWaalsContact O-N 3.15Å; L286-N288 VanDerWaalsContact C-N 3.32Å; L286-N288 PolarHBondContact O-N 3.26Å; N288-L290 VanDerWaalsContact C-N 3.32Å; N288-L290 PolarHBondContact O-N 3.28Å; N288-K291 PolarHBondContact O-N 3.27Å; N288-Q292 WeakPolarHBondContact O-CB 3.31Å; N288-Q292 PolarHBondContact O-N 3.4Å
289I83.2Confident81.8Confident2 Ų238.4 Ų38.41%0.0119%0.192CC..Hα-helixtrans-54.9-46.5174.7-69161.1000111.2L285 L286 Q292 Y293 F1554 D1557 I1558 F1561L285-I289 HydrophobicContact CD1-CD1 4Å; L285-I289 HydrophobicContact CD1-CG1 4.38Å; L285-I289 HydrophobicContact CG-CD1 3.76Å; L285-I289 WeakPolarHBondContact O-CD1 3.17Å; L285-I289 VanDerWaalsContact O-CG1 3.24Å; L285-I289 WeakPolarHBondContact O-CG1 3.47Å; L285-I289 PolarHBondContact O-N 2.74Å; L286-I289 PolarHBondContact O-N 2.82Å; I289-Q292 PolarHBondContact O-N 3.36Å; I289-Y293 PolarHBondContact O-N 2.96Å; I289-F1554 HydrophobicContact CG2-CD2 3.61Å; I289-F1554 HydrophobicContact CG2-CE2 3.64Å; I289-F1554 WeakPolarHBondContact O-CD2 3.32Å; I289-D1557 HydrophobicContact CD1-CB 3.88Å; I289-D1557 WeakPolarHBondContact CD1-O 3.29Å; I289-D1557 HydrophobicContact CG1-CB 3.65Å; I289-I1558 HydrophobicContact CG2-CB 3.97Å; I289-I1558 HydrophobicContact CG2-CG1 4.28Å; I289-F1561 HydrophobicContact CD1-CB 3.92Å
290L84Confident81.3Confident16 Ų1639.9 Ų39.98%0.08420%0.199CC..Hα-helixtrans-69-36.7-180-68.1176.2000112.5L286 N288 Y293 Q294 I372 I375 I376L286-L290 HydrophobicContact CD1-CD1 3.97Å; L286-L290 HydrophobicContact CD1-CG 4.05Å; L286-L290 HydrophobicContact CG-CD1 3.98Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CB 3.41Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.32Å; L286-L290 PolarHBondContact O-N 2.89Å; N288-L290 VanDerWaalsContact C-N 3.32Å; N288-L290 PolarHBondContact O-N 3.28Å; L290-Y293 WeakPolarHBondContact O-CB 2.85Å; L290-Y293 PolarHBondContact O-N 2.97Å; L290-Q294 WeakPolarHBondContact O-CB 3.33Å; L290-Q294 PolarHBondContact O-N 2.96Å; L290-I372 HydrophobicContact CB-CG2 4.24Å; L290-I372 HydrophobicContact CD2-CD1 4.47Å; L290-I372 HydrophobicContact CD2-CG1 4.14Å; L290-I372 HydrophobicContact CD2-CG2 4.09Å; L290-I375 HydrophobicContact CD1-CB 4.17Å; L290-I375 HydrophobicContact CD1-CG2 3.46Å; L290-I375 VanDerWaalsContact CD1-CG2 3.46Å; L290-I376 HydrophobicContact CB-CD1 3.97Å; L290-I376 HydrophobicContact CB-CG1 3.73Å
291K82.3Confident80.7Confident63 Ų6341.2 Ų41.227%0.27421%0.206SC..Hα-helixtrans-68-38.3172.7-74.8-171.3178.2-166.70112.4K287 N288 Q294 L295 I376 D380K287-K291 WeakPolarHBondContact O-CG 3.35Å; K287-K291 PolarHBondContact O-N 3.33Å; N288-K291 PolarHBondContact O-N 3.27Å; K291-Q294 PolarHBondContact O-N 2.68Å; K291-L295 WeakPolarHBondContact O-CB 3.25Å; K291-L295 VanDerWaalsContact O-CG 3.29Å; K291-L295 WeakPolarHBondContact O-CG 2.8Å; K291-L295 PolarHBondContact O-N 3.33Å; K291-I376 HydrophobicContact CD-CG2 4.42Å; K291-I376 VanDerWaalsContact CE-CG2 3.47Å; K291-I376 HydrophobicContact CG-CD1 4.21Å; K291-I376 HydrophobicContact CG-CG1 4.36Å; K291-I376 HydrophobicContact CG-CG2 3.99Å; K291-D380 WeakPolarHBondContact CE-OD2 3.43Å; K291-D380 IonicContact NZ-OD1 3.15Å; K291-D380 PolarHBondContact NZ-OD1 3.18Å; K291-D380 IonicContact NZ-OD2 3.53Å; K291-D380 PolarHBondContact NZ-OD2 3.27Å
292Q83Confident80.1Confident34 Ų3442.5 Ų42.516%0.15922%0.217CC..Hα-helixtrans-61.5-45174-178.4174.2-2.700111.5N288 I289 Q294 L295 Q296 D1552 T1553 F1554N288-Q292 WeakPolarHBondContact O-CB 3.31Å; N288-Q292 PolarHBondContact O-N 3.4Å; I289-Q292 PolarHBondContact O-N 3.36Å; Q292-Q294 PolarHBondContact O-N 2.85Å; Q292-L295 PolarHBondContact O-N 3.39Å; Q292-Q296 WeakPolarHBondContact O-CB 3.41Å; Q292-Q296 PolarHBondContact O-N 3.02Å; Q292-D1552 PolarHBondContact NE2-OD1 2.93Å; Q292-T1553 VanDerWaalsContact NE2-N 3.18Å; Q292-T1553 PolarHBondContact NE2-OG1 3.42Å; Q292-T1553 PolarHBondContact OE1-OG1 3.14Å; Q292-F1554 HydrophobicContact CG-CB 4.48Å
293Y83.6Confident79.5Confident14 Ų1449 Ų496%0.05525%0.247CC..Iπ-helixtrans-55-51.6169.3171.4-87.8000111.6I289 L290 L295 T297 K298 N369 I372 F1554I289-Y293 PolarHBondContact O-N 2.96Å; L290-Y293 WeakPolarHBondContact O-CB 2.85Å; L290-Y293 PolarHBondContact O-N 2.97Å; Y293-L295 VanDerWaalsContact C-N 3.33Å; Y293-L295 PolarHBondContact O-N 2.88Å; Y293-T297 WeakPolarHBondContact CA-OG1 3.49Å; Y293-T297 WeakPolarHBondContact CD2-OG1 3.5Å; Y293-T297 PolarHBondContact O-N 2.83Å; Y293-T297 PolarHBondContact O-OG1 3.09Å; Y293-K298 HydrophobicContact CD1-CB 4.4Å; Y293-K298 HydrophobicContact CE1-CB 4.07Å; Y293-K298 HydrophobicContact CE1-CD 4.28Å; Y293-K298 HydrophobicContact CE1-CG 4.4Å; Y293-K298 WeakPolarHBondContact O-CB 3.32Å; Y293-K298 PolarHBondContact O-N 3.14Å; Y293-N369 WeakPolarHBondContact CE1-OD1 3.38Å; Y293-N369 PolarHBondContact OH-OD1 3.22Å; Y293-I372 HydrophobicContact CD1-CD1 3.67Å; Y293-I372 HydrophobicContact CD1-CG2 4.09Å; Y293-I372 HydrophobicContact CE1-CD1 3.44Å; Y293-I372 VanDerWaalsContact CE1-CD1 3.44Å; Y293-I372 HydrophobicContact CE1-CG2 4.49Å; Y293-I372 HydrophobicContact CG-CD1 4.36Å; Y293-F1554 HydrophobicContact CD2-CE1 4.04Å; Y293-F1554 HydrophobicContact CD2-CE2 4.08Å; Y293-F1554 AromaticContact CD2-CZ 3.77Å; Y293-F1554 HydrophobicContact CD2-CZ 3.77Å; Y293-F1554 HydrophobicContact CG-CE2 4.21Å; Y293-F1554 HydrophobicContact CG-CZ 4.34Å
294Q80.2Confident78.6Confident62 Ų6251 Ų5129%0.2926%0.258SS..Iπ-helixtrans-63.1-36.8-174.8-164.2-168.130.400113L290 K291 Q292 K298 D373 I376L290-Q294 WeakPolarHBondContact O-CB 3.33Å; L290-Q294 PolarHBondContact O-N 2.96Å; K291-Q294 PolarHBondContact O-N 2.68Å; Q292-Q294 PolarHBondContact O-N 2.85Å; Q294-K298 HydrophobicContact CG-CD 4.32Å; Q294-D373 PolarHBondContact NE2-OD1 3.43Å; Q294-I376 HydrophobicContact CB-CD1 4.05Å; Q294-I376 HydrophobicContact CG-CD1 4.36Å
295L79.7Confident77.7Confident129 Ų12950.4 Ų50.468%0.67525%0.254SS*.Iπ-helixtrans-90.8-37.4-174.7-67.5169.9000113.8K291 Q292 Y293K291-L295 WeakPolarHBondContact O-CB 3.25Å; K291-L295 VanDerWaalsContact O-CG 3.29Å; K291-L295 WeakPolarHBondContact O-CG 2.8Å; K291-L295 PolarHBondContact O-N 3.33Å; Q292-L295 PolarHBondContact O-N 3.39Å; Y293-L295 VanDerWaalsContact C-N 3.33Å; Y293-L295 PolarHBondContact O-N 2.88Å
296Q77.4Confident76.7Confident46 Ų4650.9 Ų50.922%0.21526%0.262CS..Iπ-helixtrans-111.6-56.5-171.7-63.5-177.5-32.400112.5Q292 P299 I300 M1550Q292-Q296 WeakPolarHBondContact O-CB 3.41Å; Q292-Q296 PolarHBondContact O-N 3.02Å; Q296-P299 WeakPolarHBondContact O-CD 3.47Å; Q296-P299 WeakPolarHBondContact O-CG 3.27Å; Q296-I300 WeakPolarHBondContact O-CD1 3.23Å; Q296-I300 WeakPolarHBondContact O-CG1 3.08Å; Q296-M1550 PolarHBondContact NE2-SD 3.2Å
297T77.1Confident75.4Confident3 Ų354.5 Ų54.52%0.01828%0.282CS..Iπ-helixtrans-79.2-37.2-169.184.90000112.9Y293 I300 L301 D1552 F1554Y293-T297 WeakPolarHBondContact CA-OG1 3.49Å; Y293-T297 WeakPolarHBondContact CD2-OG1 3.5Å; Y293-T297 PolarHBondContact O-N 2.83Å; Y293-T297 PolarHBondContact O-OG1 3.09Å; T297-I300 PolarHBondContact O-N 3.19Å; T297-L301 WeakPolarHBondContact O-CB 3.42Å; T297-L301 PolarHBondContact O-N 3.33Å; T297-D1552 VanDerWaalsContact CG2-CG 3.49Å; T297-D1552 WeakPolarHBondContact CG2-OD1 3.24Å; T297-D1552 WeakPolarHBondContact CG2-OD2 3.21Å; T297-F1554 HydrophobicContact CG2-CB 3.82Å; T297-F1554 HydrophobicContact CG2-CD1 4.33Å; T297-F1554 HydrophobicContact CG2-CG 4.16Å
298K78Confident74.5Confident39 Ų3954.8 Ų54.817%0.1729%0.286CS..Hα-helixtrans-52-51.8178.2176.9178.3179.1169.60113.4Y293 Q294 N302 N369 D373Y293-K298 HydrophobicContact CD1-CB 4.4Å; Y293-K298 HydrophobicContact CE1-CB 4.07Å; Y293-K298 HydrophobicContact CE1-CD 4.28Å; Y293-K298 HydrophobicContact CE1-CG 4.4Å; Y293-K298 WeakPolarHBondContact O-CB 3.32Å; Y293-K298 PolarHBondContact O-N 3.14Å; Q294-K298 HydrophobicContact CG-CD 4.32Å; K298-N302 WeakPolarHBondContact O-CB 3.27Å; K298-N302 PolarHBondContact O-N 2.99Å; K298-N302 VanDerWaalsContact O-N 3.12Å; K298-N302 PolarHBondContact O-ND2 3.45Å; K298-N369 WeakPolarHBondContact CD-OD1 3.36Å; K298-N369 VanDerWaalsContact CE-CG 3.41Å; K298-N369 WeakPolarHBondContact CE-OD1 3.47Å; K298-N369 PolarHBondContact NZ-OD1 3.11Å; K298-D373 IonicContact NZ-OD1 3.37Å; K298-D373 PolarHBondContact NZ-OD1 2.94Å; K298-D373 IonicContact NZ-OD2 2.7Å; K298-D373 PolarHBondContact NZ-OD2 3.09Å
299P74Confident73.5Confident65 Ų6555.6 Ų55.642%0.42229%0.294SS..Hα-helixtrans-65.6-45176.423.6-32.5000112.7Q296 L301 N302 Q303Q296-P299 WeakPolarHBondContact O-CD 3.47Å; Q296-P299 WeakPolarHBondContact O-CG 3.27Å; P299-L301 PolarHBondContact O-N 3.2Å; P299-N302 PolarHBondContact O-N 3.37Å; P299-Q303 WeakPolarHBondContact O-CB 3.48Å; P299-Q303 PolarHBondContact O-N 2.88Å
300I72.7Confident72.6Confident37 Ų3760.4 Ų60.419%0.1932%0.319CS..Hα-helixtrans-61.7-43.8-179.4-61.5170.9000110.9Q296 T297 Q303 L304 T1539 I1541Q296-I300 WeakPolarHBondContact O-CD1 3.23Å; Q296-I300 WeakPolarHBondContact O-CG1 3.08Å; T297-I300 PolarHBondContact O-N 3.19Å; I300-Q303 WeakPolarHBondContact O-CB 3.48Å; I300-Q303 PolarHBondContact O-N 2.92Å; I300-L304 HydrophobicContact CG2-CD1 4.06Å; I300-L304 HydrophobicContact CG2-CG 4.46Å; I300-L304 WeakPolarHBondContact O-CG 3.31Å; I300-L304 PolarHBondContact O-N 3.25Å; I300-T1539 WeakPolarHBondContact CD1-O 3.37Å; I300-I1541 HydrophobicContact CD1-CD1 4.26Å; I300-I1541 HydrophobicContact CD1-CG1 3.87Å
301L71.4Confident71.6Confident36 Ų3660.9 Ų60.919%0.18832%0.321CS..Hα-helixtrans-64.5-43.1178.5-17169.6000111.6T297 P299 Q303 L304 L305 F365T297-L301 WeakPolarHBondContact O-CB 3.42Å; T297-L301 PolarHBondContact O-N 3.33Å; P299-L301 PolarHBondContact O-N 3.2Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 2.9Å; L301-L304 PolarHBondContact O-N 2.87Å; L301-L305 HydrophobicContact CD1-CD1 4.33Å; L301-L305 HydrophobicContact CG-CD1 3.92Å; L301-L305 WeakPolarHBondContact O-CB 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.46Å; L301-L305 PolarHBondContact O-N 3.41Å; L301-F365 HydrophobicContact CD2-CE1 3.82Å; L301-F365 HydrophobicContact CD2-CZ 4.4Å
302N70.7Confident70.6Confident73 Ų7363.1 Ų63.139%0.3933%0.331SS..Hα-helixtrans-62.2-36.4173.8-73.2-16.6000112.1K298 P299 S306K298-N302 WeakPolarHBondContact O-CB 3.27Å; K298-N302 PolarHBondContact O-N 2.99Å; K298-N302 VanDerWaalsContact O-N 3.12Å; K298-N302 PolarHBondContact O-ND2 3.45Å; P299-N302 PolarHBondContact O-N 3.37Å; N302-S306 WeakPolarHBondContact O-CB 3.36Å; N302-S306 PolarHBondContact O-N 3.36Å; N302-S306 VanDerWaalsContact O-N 3.11Å; N302-S306 PolarHBondContact O-OG 2.86Å
303Q68.8Low69.8Low142 Ų14267.5 Ų67.566%0.66435%0.352SS*.Hα-helixtrans-71.7-41.4178.6-163.1168.93.800111.9P299 I300 L301 S306P299-Q303 WeakPolarHBondContact O-CB 3.48Å; P299-Q303 PolarHBondContact O-N 2.88Å; I300-Q303 WeakPolarHBondContact O-CB 3.48Å; I300-Q303 PolarHBondContact O-N 2.92Å; L301-Q303 VanDerWaalsContact C-N 3.29Å; L301-Q303 PolarHBondContact O-N 2.9Å; Q303-S306 PolarHBondContact O-OG 2.96Å
304L66.5Low68.9Low54 Ų5469.9 Ų69.928%0.28337%0.365SS..Hα-helixtrans-60.6-46172.4-76.4168.2000112.4I300 L301 T308I300-L304 HydrophobicContact CG2-CD1 4.06Å; I300-L304 HydrophobicContact CG2-CG 4.46Å; I300-L304 WeakPolarHBondContact O-CG 3.31Å; I300-L304 PolarHBondContact O-N 3.25Å; L301-L304 PolarHBondContact O-N 2.87Å; L304-T308 HydrophobicContact CD2-CG2 4.01Å; L304-T308 VanDerWaalsContact O-CG2 3.24Å; L304-T308 WeakPolarHBondContact O-CG2 3.07Å; L304-T308 PolarHBondContact O-OG1 3.27Å
305L63.1Low68.2Low34 Ų3468.5 Ų68.518%0.17836%0.357CS..Hα-helixtrans-74.7-28.8-175.2-70.8171.5000114L301 L311 R315 F365L301-L305 HydrophobicContact CD1-CD1 4.33Å; L301-L305 HydrophobicContact CG-CD1 3.92Å; L301-L305 WeakPolarHBondContact O-CB 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.46Å; L301-L305 PolarHBondContact O-N 3.41Å; L305-L311 HydrophobicContact CD2-CD1 4.18Å; L305-R315 PolarHBondContact O-NH2 3.06Å; L305-F365 HydrophobicContact CD1-CE2 4Å; L305-F365 HydrophobicContact CD1-CZ 4.04Å
306S62.7Low67.5Low61 Ų6165.4 Ų65.443%0.42735%0.346SS..Hα-helixtrans-76.6-52.5-178.2490000112.4N302 Q303 R315N302-S306 WeakPolarHBondContact O-CB 3.36Å; N302-S306 PolarHBondContact O-N 3.36Å; N302-S306 VanDerWaalsContact O-N 3.11Å; N302-S306 PolarHBondContact O-OG 2.86Å; Q303-S306 PolarHBondContact O-OG 2.96Å; S306-R315 PolarHBondContact O-NH1 3.02Å; S306-R315 VanDerWaalsContact O-NH1 3.16Å
307N57.7Low66.9Low111 Ų11169.1 Ų69.159%0.59437%0.365SS*.Hα-helixtrans-138.528.4-159.5-144.5-2.2000117.3K312N307-K312 WeakPolarHBondContact OD1-CE 3.39Å; N307-K312 PolarHBondContact OD1-NZ 3.38Å
308T64.4Low66.4Low38 Ų3870.2 Ų70.223%0.23337%0.37CS..  trans-81150173.450.40000113.7L304 L311 K312L304-T308 HydrophobicContact CD2-CG2 4.01Å; L304-T308 VanDerWaalsContact O-CG2 3.24Å; L304-T308 WeakPolarHBondContact O-CG2 3.07Å; L304-T308 PolarHBondContact O-OG1 3.27Å; T308-L311 PolarHBondContact O-N 2.95Å; T308-K312 PolarHBondContact O-N 2.91Å
309T63.1Low65.8Low108 Ų10874.5 Ų74.566%0.66339%0.389SS*.Hα-helixtrans-64-41.2178.345.80000112.7L311 K312 Q313T309-L311 PolarHBondContact O-N 3.15Å; T309-K312 WeakPolarHBondContact O-CB 3.5Å; T309-K312 PolarHBondContact O-N 3.4Å; T309-K312 VanDerWaalsContact O-N 3.11Å; T309-Q313 PolarHBondContact O-N 2.84Å
310I64.5Low65.4Low103 Ų10375.3 Ų75.353%0.52839%0.393SS..Hα-helixtrans-60-45177.8-60.7169.6000110.5K312 Q313 I314I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 3.49Å; I310-Q313 WeakPolarHBondContact O-CB 3.38Å; I310-Q313 PolarHBondContact O-N 2.89Å; I310-Q313 VanDerWaalsContact O-N 3.15Å; I310-I314 HydrophobicContact CG2-CD1 3.99Å; I310-I314 WeakPolarHBondContact O-CG1 3.38Å; I310-I314 PolarHBondContact O-N 3.41Å
311L63.5Low65.1Low26 Ų2675.1 Ų75.114%0.13640%0.395CS..Hα-helixtrans-69.7-26.1176.4-84.5169.2000113.2L305 T308 T309 I314 R315 L344L305-L311 HydrophobicContact CD2-CD1 4.18Å; T308-L311 PolarHBondContact O-N 2.95Å; T309-L311 PolarHBondContact O-N 3.15Å; L311-I314 HydrophobicContact CD2-CD1 4.32Å; L311-R315 VanDerWaalsContact O-CB 3.29Å; L311-R315 WeakPolarHBondContact O-CB 3.2Å; L311-R315 WeakPolarHBondContact O-CG 3.2Å; L311-R315 PolarHBondContact O-N 3.32Å; L311-L344 HydrophobicContact CD2-CD1 4.32Å; L311-L344 HydrophobicContact CD2-CD2 3.93Å
312K61.1Low64.7Low111 Ų11175.1 Ų75.148%0.48340%0.396SS..Hα-helixtrans-67.8-37.7168.8-72.1175.8-177.9170.30112N307 T308 T309 I310 S316N307-K312 WeakPolarHBondContact OD1-CE 3.39Å; N307-K312 PolarHBondContact OD1-NZ 3.38Å; T308-K312 PolarHBondContact O-N 2.91Å; T309-K312 WeakPolarHBondContact O-CB 3.5Å; T309-K312 PolarHBondContact O-N 3.4Å; T309-K312 VanDerWaalsContact O-N 3.11Å; I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 3.49Å; K312-S316 PolarHBondContact O-N 2.76Å; K312-S316 PolarHBondContact O-OG 2.61Å
313Q65Low64.3Low125 Ų12577.7 Ų77.758%0.58441%0.408SS*.Hα-helixtrans-68.3-39.4172.4-71.1176.1-38.600112.6T309 I310 S316 M317T309-Q313 PolarHBondContact O-N 2.84Å; I310-Q313 WeakPolarHBondContact O-CB 3.38Å; I310-Q313 PolarHBondContact O-N 2.89Å; I310-Q313 VanDerWaalsContact O-N 3.15Å; Q313-S316 WeakPolarHBondContact CA-OG 3.15Å; Q313-S316 PolarHBondContact O-N 2.92Å; Q313-S316 PolarHBondContact O-OG 2.83Å; Q313-M317 WeakPolarHBondContact O-CG 3.34Å; Q313-M317 PolarHBondContact O-N 3.36Å
314I65.3Low63.6Low64 Ų6479.1 Ų79.133%0.32842%0.415SS..Hα-helixtrans-66.5-43175-66.3167.3000110.5I310 L311 S316 M317 L318 L344I310-I314 HydrophobicContact CG2-CD1 3.99Å; I310-I314 WeakPolarHBondContact O-CG1 3.38Å; I310-I314 PolarHBondContact O-N 3.41Å; L311-I314 HydrophobicContact CD2-CD1 4.32Å; I314-S316 VanDerWaalsContact C-N 3.31Å; I314-S316 PolarHBondContact O-N 3.48Å; I314-M317 PolarHBondContact O-N 2.88Å; I314-L318 HydrophobicContact CG2-CD1 3.92Å; I314-L318 HydrophobicContact CG2-CG 4.45Å; I314-L318 WeakPolarHBondContact O-CB 3.28Å; I314-L318 WeakPolarHBondContact O-CG 3.18Å; I314-L318 PolarHBondContact O-N 2.87Å; I314-L344 HydrophobicContact CG2-CD1 3.88Å
315R66.3Low62.9Low34 Ų3477.8 Ų77.813%0.12841%0.41CS..Hα-helixtrans-58.6-38.7172.5-75.6168.3179.4144.45.9112L305 S306 L311 K319 L344L305-R315 PolarHBondContact O-NH2 3.06Å; S306-R315 PolarHBondContact O-NH1 3.02Å; S306-R315 VanDerWaalsContact O-NH1 3.16Å; L311-R315 VanDerWaalsContact O-CB 3.29Å; L311-R315 WeakPolarHBondContact O-CB 3.2Å; L311-R315 WeakPolarHBondContact O-CG 3.2Å; L311-R315 PolarHBondContact O-N 3.32Å; R315-K319 PolarHBondContact O-N 2.99Å; R315-L344 HydrophobicContact CG-CB 4.28Å; R315-L344 PolarHBondContact NE-O 3.46Å; R315-L344 PolarHBondContact NH2-O 3.32Å
316S65.4Low62Low63 Ų6384.5 Ų84.544%0.44145%0.446SS..Hα-helixtrans-73.9-39.7177.366.40000113.1K312 Q313 I314 K319 T320K312-S316 PolarHBondContact O-N 2.76Å; K312-S316 PolarHBondContact O-OG 2.61Å; Q313-S316 WeakPolarHBondContact CA-OG 3.15Å; Q313-S316 PolarHBondContact O-N 2.92Å; Q313-S316 PolarHBondContact O-OG 2.83Å; I314-S316 VanDerWaalsContact C-N 3.31Å; I314-S316 PolarHBondContact O-N 3.48Å; S316-K319 WeakPolarHBondContact O-CB 3.17Å; S316-K319 PolarHBondContact O-N 3.44Å; S316-K319 VanDerWaalsContact O-N 3.16Å; S316-T320 PolarHBondContact O-N 3.33Å; S316-T320 PolarHBondContact O-OG1 3.34Å
317M64.9Low61.3Low125 Ų12584.1 Ų84.162%0.61645%0.452SS*.Hα-helixtrans-66.1-34.1173.9-71.1-156.1-65.700113Q313 I314 T320 C321Q313-M317 WeakPolarHBondContact O-CG 3.34Å; Q313-M317 PolarHBondContact O-N 3.36Å; I314-M317 PolarHBondContact O-N 2.88Å; M317-T320 WeakPolarHBondContact CA-OG1 3.27Å; M317-T320 PolarHBondContact O-N 3.09Å; M317-T320 PolarHBondContact O-OG1 3.34Å; M317-C321 WeakPolarHBondContact O-CB 3.46Å; M317-C321 PolarHBondContact O-N 3.14Å
318L65.7Low60.8Low25 Ų2586.3 Ų86.313%0.13147%0.469CS..Hα-helixtrans-69.6-34.9170.9-71.5169.3000111.7I314 C321 T322 C337 A340 L341 L344I314-L318 HydrophobicContact CG2-CD1 3.92Å; I314-L318 HydrophobicContact CG2-CG 4.45Å; I314-L318 WeakPolarHBondContact O-CB 3.28Å; I314-L318 WeakPolarHBondContact O-CG 3.18Å; I314-L318 PolarHBondContact O-N 2.87Å; L318-C321 WeakPolarHBondContact O-CB 3.4Å; L318-C321 PolarHBondContact O-N 2.97Å; L318-T322 PolarHBondContact O-N 3.09Å; L318-T322 VanDerWaalsContact O-N 3.14Å; L318-C337 HydrophobicContact CD2-CB 4.19Å; L318-A340 HydrophobicContact CD1-CB 3.95Å; L318-A340 HydrophobicContact CD2-CB 4.01Å; L318-L341 HydrophobicContact CB-CB 4.47Å; L318-L341 HydrophobicContact CB-CD1 3.75Å; L318-L344 HydrophobicContact CD1-CD1 3.7Å
319K64.5Low60.1Low129 Ų12991.6 Ų91.656%0.56150%0.496SS*.Hα-helixtrans-63.1-44.8171.5-114178.4177.8-179.30111.9R315 S316 T322 I323 L341R315-K319 PolarHBondContact O-N 2.99Å; S316-K319 WeakPolarHBondContact O-CB 3.17Å; S316-K319 PolarHBondContact O-N 3.44Å; S316-K319 VanDerWaalsContact O-N 3.16Å; K319-T322 PolarHBondContact O-N 3.43Å; K319-T322 PolarHBondContact O-OG1 3.42Å; K319-I323 WeakPolarHBondContact O-CD1 3.4Å; K319-I323 WeakPolarHBondContact O-CG1 3.45Å; K319-I323 PolarHBondContact O-N 3.26Å; K319-L341 HydrophobicContact CG-CD1 4.24Å; K319-L341 HydrophobicContact CG-CD2 4.48Å
320T66Low59.7Low82 Ų8289 Ų8950%0.50348%0.476SS..Hα-helixtrans-67-35.8175.353.90000112.2S316 M317 T322 I323 H324S316-T320 PolarHBondContact O-N 3.33Å; S316-T320 PolarHBondContact O-OG1 3.34Å; M317-T320 WeakPolarHBondContact CA-OG1 3.27Å; M317-T320 PolarHBondContact O-N 3.09Å; M317-T320 PolarHBondContact O-OG1 3.34Å; T320-T322 PolarHBondContact O-N 3.36Å; T320-I323 PolarHBondContact O-N 3.13Å; T320-H324 PolarHBondContact O-N 2.89Å
321C66.2Low59.3Low34 Ų3486.7 Ų86.723%0.2348%0.478CS..Hα-helixtrans-55.5-35.2170.6-1770000112.8M317 L318 C337M317-C321 WeakPolarHBondContact O-CB 3.46Å; M317-C321 PolarHBondContact O-N 3.14Å; L318-C321 WeakPolarHBondContact O-CB 3.4Å; L318-C321 PolarHBondContact O-N 2.97Å; C321-C337 HydrophobicContact CB-CB 3.79Å; C321-C337 WeakPolarHBondContact CB-SG 3.39Å; C321-C337 WeakPolarHBondContact SG-CB 3.37Å; C321-C337 CovalentContact SG-SG 2.04Å; C321-C337 PolarHBondContact SG-SG 3.13Å
322T64.5Low59Low35 Ų3592.5 Ų92.522%0.21551%0.508CS..Hα-helixtrans-77.9-13.2177.755.90000115.2L318 K319 T320 C337L318-T322 PolarHBondContact O-N 3.09Å; L318-T322 VanDerWaalsContact O-N 3.14Å; K319-T322 PolarHBondContact O-N 3.43Å; K319-T322 PolarHBondContact O-OG1 3.42Å; T320-T322 PolarHBondContact O-N 3.36Å; T322-C337 HydrophobicContact CG2-CB 4.32Å
323I60.8Low58.9Low127 Ų12791.2 Ų91.265%0.65151%0.505SS*.Hα-helixtrans-102-33.6-169.4-69.9167.1000113.1K319 T320K319-I323 WeakPolarHBondContact O-CD1 3.4Å; K319-I323 WeakPolarHBondContact O-CG1 3.45Å; K319-I323 PolarHBondContact O-N 3.26Å; T320-I323 PolarHBondContact O-N 3.13Å
324H55.2Low58.6Low172 Ų17289.6 Ų89.680%0.79650%0.498SS*.SBendtrans-101.915.6-155.4-130-53.8000117T320T320-H324 PolarHBondContact O-N 2.89Å
325S50.9Low58.4Low26 Ų2692.9 Ų92.918%0.18251%0.51CS..  trans-115107.2-160.659.50000116.3H330S325-H330 WeakPolarHBondContact CB-CE1 3.41Å; S325-H330 VanDerWaalsContact CB-ND1 3.3Å; S325-H330 WeakPolarHBondContact CB-ND1 3.17Å; S325-H330 WeakPolarHBondContact CB-NE2 3.48Å
326N43.5Very low58.4Low176 Ų17698.5 Ų98.594%0.94154%0.535SS*.  trans-116.5106.7167.5-78.6-23000110.3
327G48.9Very low58.4Low53 Ų5396.1 Ų96.155%0.54652%0.518SS..SBendtrans168.3150.2177.300000113.4L329 H330G327-L329 VanDerWaalsContact C-N 3.28Å; G327-L329 PolarHBondContact O-N 2.58Å; G327-L329 VanDerWaalsContact O-N 3.16Å; G327-H330 PolarHBondContact O-N 3.38Å
328T47.1Very low58.5Low157 Ų15794.2 Ų94.296%0.96351%0.51SS*.THydrogen-bonded Turntrans-68-15.9-166.644.30000115.9H330T328-H330 VanDerWaalsContact C-N 3.31Å; T328-H330 PolarHBondContact O-N 2.89Å
329L49.5Very low58.4Low149 Ų14996 Ų9678%0.7852%0.52SS*.THydrogen-bonded Turntrans-79.2-8.8179-138.378.4000114.1G327 G331G327-L329 VanDerWaalsContact C-N 3.28Å; G327-L329 PolarHBondContact O-N 2.58Å; G327-L329 VanDerWaalsContact O-N 3.16Å; L329-G331 PolarHBondContact O-N 2.99Å
330H54.1Low58.5Low53 Ų5391 Ų9125%0.24550%0.503CS..Hα-helixtrans-79.3-13.4-156.9-118.1-85.7000117.4S325 G327 T328 L332 I333 Q334S325-H330 WeakPolarHBondContact CB-CE1 3.41Å; S325-H330 VanDerWaalsContact CB-ND1 3.3Å; S325-H330 WeakPolarHBondContact CB-ND1 3.17Å; S325-H330 WeakPolarHBondContact CB-NE2 3.48Å; G327-H330 PolarHBondContact O-N 3.38Å; T328-H330 VanDerWaalsContact C-N 3.31Å; T328-H330 PolarHBondContact O-N 2.89Å; H330-L332 PolarHBondContact O-N 2.82Å; H330-L332 VanDerWaalsContact O-N 3.11Å; H330-I333 PolarHBondContact O-N 3.44Å; H330-Q334 WeakPolarHBondContact O-CB 3.23Å; H330-Q334 PolarHBondContact O-N 3.43Å
331G57.3Low58.5Low55 Ų5588.9 Ų88.957%0.56749%0.488SS*.Hα-helixtrans-60.4-25.1-173.400000115L329 K335L329-G331 PolarHBondContact O-N 2.99Å; G331-K335 WeakPolarHBondContact O-CB 3.33Å
332L55.9Low58.4Low147 Ų14791.4 Ų91.477%0.7750%0.499SS*.Hα-helixtrans-82.1-51173.1-94.6156.5000112.1H330 K335 F336H330-L332 PolarHBondContact O-N 2.82Å; H330-L332 VanDerWaalsContact O-N 3.11Å; L332-K335 PolarHBondContact O-N 3.05Å; L332-F336 WeakPolarHBondContact O-CB 3.34Å; L332-F336 PolarHBondContact O-N 3.31Å
333I59.3Low58.4Low85 Ų8594.6 Ų94.644%0.43651%0.507SS..Hα-helixtrans-65.7-45.1-176.3-61.4173.5000111.1H330 K335 F336 C337H330-I333 PolarHBondContact O-N 3.44Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.07Å; I333-F336 PolarHBondContact O-N 2.93Å; I333-C337 WeakPolarHBondContact O-CB 3.44Å; I333-C337 PolarHBondContact O-N 3.17Å
334Q59.6Low58.4Low90 Ų9089.1 Ų89.142%0.42148%0.479SS..Hα-helixtrans-63.3-39.1178.5-165.3-177.327.400111.1H330 L338H330-Q334 WeakPolarHBondContact O-CB 3.23Å; H330-Q334 PolarHBondContact O-N 3.43Å; Q334-L338 WeakPolarHBondContact O-CB 3.4Å; Q334-L338 PolarHBondContact O-N 3.4Å
335K61.2Low58.8Low134 Ų13485 Ų8558%0.58346%0.463SS*.Hα-helixtrans-71.9-34.2177.7-163.7172.1-170174.40112.2G331 L332 I333 N339G331-K335 WeakPolarHBondContact O-CB 3.33Å; L332-K335 PolarHBondContact O-N 3.05Å; I333-K335 VanDerWaalsContact C-N 3.31Å; I333-K335 PolarHBondContact O-N 3.07Å; K335-N339 VanDerWaalsContact O-CB 3.28Å; K335-N339 WeakPolarHBondContact O-CB 3.04Å; K335-N339 PolarHBondContact O-N 2.9Å; K335-N339 PolarHBondContact O-ND2 3.25Å; K335-N339 PolarHBondContact O-OD1 3.25Å
336F66.1Low58.9Low151 Ų15187 Ų8766%0.66248%0.475SS*.Hα-helixtrans-66.9-49.7171.2-172.5-89.4000111.5L332 I333 L338 N339 A340L332-F336 WeakPolarHBondContact O-CB 3.34Å; L332-F336 PolarHBondContact O-N 3.31Å; I333-F336 PolarHBondContact O-N 2.93Å; F336-L338 VanDerWaalsContact C-N 3.34Å; F336-L338 PolarHBondContact O-N 3.33Å; F336-N339 PolarHBondContact O-N 2.94Å; F336-A340 WeakPolarHBondContact O-CB 3.49Å; F336-A340 PolarHBondContact O-N 3.23Å
337C65.8Low59.4Low13 Ų1385 Ų859%0.08846%0.461CS..Hα-helixtrans-61.6-39.1175.7-79.30000112.4L318 C321 T322 I333 A340 L341L318-C337 HydrophobicContact CD2-CB 4.19Å; C321-C337 HydrophobicContact CB-CB 3.79Å; C321-C337 WeakPolarHBondContact CB-SG 3.39Å; C321-C337 WeakPolarHBondContact SG-CB 3.37Å; C321-C337 CovalentContact SG-SG 2.04Å; C321-C337 PolarHBondContact SG-SG 3.13Å; T322-C337 HydrophobicContact CG2-CB 4.32Å; I333-C337 WeakPolarHBondContact O-CB 3.44Å; I333-C337 PolarHBondContact O-N 3.17Å; C337-A340 PolarHBondContact O-N 3.06Å; C337-L341 VanDerWaalsContact O-CB 3.28Å; C337-L341 WeakPolarHBondContact O-CB 3.46Å; C337-L341 PolarHBondContact O-N 3.44Å
338L66.7Low59.6Low85 Ų8585.6 Ų85.645%0.44547%0.466SS..Hα-helixtrans-63.6-47.6174-169.483.5000111.5Q334 F336 A340 L341 L342Q334-L338 WeakPolarHBondContact O-CB 3.4Å; Q334-L338 PolarHBondContact O-N 3.4Å; F336-L338 VanDerWaalsContact C-N 3.34Å; F336-L338 PolarHBondContact O-N 3.33Å; L338-A340 VanDerWaalsContact C-N 3.34Å; L338-A340 PolarHBondContact O-N 2.97Å; L338-L341 PolarHBondContact O-N 3.26Å; L338-L342 HydrophobicContact CD2-CD1 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.18Å; L338-L342 WeakPolarHBondContact O-CB 3.39Å; L338-L342 VanDerWaalsContact O-CG 3.31Å; L338-L342 WeakPolarHBondContact O-CG 3.47Å; L338-L342 PolarHBondContact O-N 2.63Å
339N64.1Low59.3Low64 Ų6485.8 Ų85.834%0.34246%0.456SS..Hα-helixtrans-63.4-39.1177.6-72.6-10.4000112K335 F336 L342 W343 L359K335-N339 VanDerWaalsContact O-CB 3.28Å; K335-N339 WeakPolarHBondContact O-CB 3.04Å; K335-N339 PolarHBondContact O-N 2.9Å; K335-N339 PolarHBondContact O-ND2 3.25Å; K335-N339 PolarHBondContact O-OD1 3.25Å; F336-N339 PolarHBondContact O-N 2.94Å; N339-L342 PolarHBondContact O-N 3.26Å; N339-W343 VanDerWaalsContact O-CB 3.3Å; N339-W343 WeakPolarHBondContact O-CB 3.32Å; N339-W343 PolarHBondContact O-N 3.14Å; N339-L359 HydrophobicContact CB-CD1 4.32Å
340A65Low59Low24 Ų2485.6 Ų85.620%0.19846%0.456CS..Hα-helixtrans-69-37175.600000112.3L318 F336 C337 L338 W343 L344L318-A340 HydrophobicContact CD1-CB 3.95Å; L318-A340 HydrophobicContact CD2-CB 4.01Å; F336-A340 WeakPolarHBondContact O-CB 3.49Å; F336-A340 PolarHBondContact O-N 3.23Å; C337-A340 PolarHBondContact O-N 3.06Å; L338-A340 VanDerWaalsContact C-N 3.34Å; L338-A340 PolarHBondContact O-N 2.97Å; A340-W343 PolarHBondContact O-N 2.88Å; A340-L344 WeakPolarHBondContact O-CB 3.32Å; A340-L344 VanDerWaalsContact O-CG 3.31Å; A340-L344 WeakPolarHBondContact O-CG 3.49Å; A340-L344 PolarHBondContact O-N 3.46Å
341L67.4Low58.2Low36 Ų3691.5 Ų91.519%0.18848%0.483CS..Hα-helixtrans-64.8-44.9173.2-16783.2000111L318 K319 C337 L338 L344 N345L318-L341 HydrophobicContact CB-CB 4.47Å; L318-L341 HydrophobicContact CB-CD1 3.75Å; K319-L341 HydrophobicContact CG-CD1 4.24Å; K319-L341 HydrophobicContact CG-CD2 4.48Å; C337-L341 VanDerWaalsContact O-CB 3.28Å; C337-L341 WeakPolarHBondContact O-CB 3.46Å; C337-L341 PolarHBondContact O-N 3.44Å; L338-L341 PolarHBondContact O-N 3.26Å; L341-L344 PolarHBondContact O-N 3.46Å; L341-N345 PolarHBondContact O-N 3.26Å
342L63.5Low57.2Low88 Ų8898.9 Ų98.946%0.46150%0.5SS..Hα-helixtrans-61.3-42.6174.8-74.6165.1000111.8L338 N339 L344 N345L338-L342 HydrophobicContact CD2-CD1 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.18Å; L338-L342 WeakPolarHBondContact O-CB 3.39Å; L338-L342 VanDerWaalsContact O-CG 3.31Å; L338-L342 WeakPolarHBondContact O-CG 3.47Å; L338-L342 PolarHBondContact O-N 2.63Å; N339-L342 PolarHBondContact O-N 3.26Å; L342-L344 PolarHBondContact O-N 3.08Å; L342-N345 PolarHBondContact O-N 2.69Å
343W64.4Low56.3Low102 Ų10298.5 Ų98.539%0.38650%0.499SS..THydrogen-bonded Turntrans-71.2-7.6176.8-171.179.1000114.2N339 A340 L359 Q361N339-W343 VanDerWaalsContact O-CB 3.3Å; N339-W343 WeakPolarHBondContact O-CB 3.32Å; N339-W343 PolarHBondContact O-N 3.14Å; A340-W343 PolarHBondContact O-N 2.88Å; W343-L359 HydrophobicContact CB-CD2 4.39Å; W343-Q361 VanDerWaalsContact O-CB 3.28Å; W343-Q361 WeakPolarHBondContact O-CB 3.31Å; W343-Q361 WeakPolarHBondContact O-CG 3.26Å; W343-Q361 PolarHBondContact O-OE1 3.32Å
344L61.3Low55.4Low12 Ų12103.2 Ų103.26%0.06352%0.519CS..THydrogen-bonded Turntrans-114.40.1177.7-71177.9000113.9L311 I314 R315 L318 A340 L341 L342L311-L344 HydrophobicContact CD2-CD1 4.32Å; L311-L344 HydrophobicContact CD2-CD2 3.93Å; I314-L344 HydrophobicContact CG2-CD1 3.88Å; R315-L344 HydrophobicContact CG-CB 4.28Å; R315-L344 PolarHBondContact NE-O 3.46Å; R315-L344 PolarHBondContact NH2-O 3.32Å; L318-L344 HydrophobicContact CD1-CD1 3.7Å; A340-L344 WeakPolarHBondContact O-CB 3.32Å; A340-L344 VanDerWaalsContact O-CG 3.31Å; A340-L344 WeakPolarHBondContact O-CG 3.49Å; A340-L344 PolarHBondContact O-N 3.46Å; L341-L344 PolarHBondContact O-N 3.46Å; L342-L344 PolarHBondContact O-N 3.08Å
345N63.2Low54.7Low84 Ų84104.5 Ų104.545%0.44953%0.533SS..  trans-85.3127.9-171.4-144.629.6000111.9L341 L342L341-N345 PolarHBondContact O-N 3.26Å; L342-N345 PolarHBondContact O-N 2.69Å
346P53.4Low54Low69 Ų69104.7 Ų104.745%0.44854%0.541SS..  trans-88.7-17-169.134.1-36.1000115.3
347E54.6Low53.1Low135 Ų135101.5 Ų101.563%0.63153%0.53SS*.  trans-107.9117.7-175.2-74.3-178.7-147.100112.1Q349E347-Q349 PolarHBondContact OE2-NE2 2.92Å; E347-Q349 VanDerWaalsContact OE2-NE2 3.08Å
348G52.7Low52.5Low64 Ų64104.3 Ų104.366%0.6654%0.544SS*.  trans-90.693.716500000110.4
349Q39.8Very low51.9Low162 Ų162103.3 Ų103.376%0.75754%0.539SS*.  trans-90.4148.4166.6-61.9-16613.900110.2E347E347-Q349 PolarHBondContact OE2-NE2 2.92Å; E347-Q349 VanDerWaalsContact OE2-NE2 3.08Å
350N42.8Very low51.6Low145 Ų145103.6 Ų103.678%0.77554%0.54SS*.SBendtrans-77.8159.7-166.4-60.3-53.4000113.4
351H38.3Very low51.4Low177 Ų177103 Ų10382%0.81953%0.534SS*.  trans76.484.1177.4-54-78.9000117.7
352F36.5Very low51.3Low210 Ų210104.7 Ų104.792%0.92155%0.547SS*.  trans-150.9162.7136.3-93.4-68.7000109.4
353N37.1Very low51.3Low139 Ų139103.1 Ų103.174%0.74354%0.538SS*.  trans-71.6154.3-155.8-63.7-16.4000116.7T355N353-T355 PolarHBondContact O-N 3.4Å
354E39.9Very low51.4Low184 Ų184100.6 Ų100.686%0.8653%0.531SS*.THydrogen-bonded Turntrans-64.119.8-166.9-53-178.6122.800118
355T45.6Very low51.8Low116 Ų116102 Ų10271%0.71254%0.537SS*.THydrogen-bonded Turntrans-110.6-3.8-172.652.60000115.6N353N353-T355 PolarHBondContact O-N 3.4Å
356N45.2Very low52.2Low139 Ų139103.5 Ų103.574%0.74354%0.541SS*.  trans-127.530.5-173-79.4-41000115.3L358N356-L358 PolarHBondContact O-N 3.37Å
357D48.3Very low52.8Low83 Ų83102.7 Ų102.744%0.44453%0.529SS..THydrogen-bonded Turntrans-61.915.3-179.3-78.7-21.1000116.9M363D357-M363 VanDerWaalsContact O-CE 3.31Å; D357-M363 WeakPolarHBondContact O-CE 3.35Å
358L52Low53.6Low73 Ų7399.7 Ų99.738%0.38252%0.517SS..THydrogen-bonded Turntrans-96-16.4-155.5-99164.9000117.1F145 G146 N356F145-L358 HydrophobicContact CB-CD2 3.98Å; G146-L358 VanDerWaalsContact N-CD2 3.28Å; N356-L358 PolarHBondContact O-N 3.37Å
359L54.4Low54.7Low63 Ų6397.2 Ų97.233%0.3349%0.488SS..  trans-129.98.5-166.6-90.8157.2000115.3N339 W343 Q361N339-L359 HydrophobicContact CB-CD1 4.32Å; W343-L359 HydrophobicContact CB-CD2 4.39Å; L359-Q361 PolarHBondContact O-N 3.03Å
360N58.8Low56.3Low70 Ų7093 Ų9337%0.37447%0.47SS..  trans-77.5108.2-172.8-156.7-16.5000112.3P362 M363 I364N360-P362 WeakPolarHBondContact OD1-CD 3.43Å; N360-M363 HydrophobicContact CB-CB 4.39Å; N360-M363 HydrophobicContact CB-CE 4.37Å; N360-M363 WeakPolarHBondContact O-CB 3.45Å; N360-M363 PolarHBondContact O-N 2.93Å; N360-M363 VanDerWaalsContact O-N 3.09Å; N360-I364 PolarHBondContact O-N 3.28Å; N360-I364 VanDerWaalsContact O-N 3.11Å
361Q61.1Low57.7Low12 Ų1289.5 Ų89.56%0.05645%0.45CS..Hα-helixtrans-49.2-56.2-171.2-171.9-163.49.200115.3W343 L359 M363 I364 F365W343-Q361 VanDerWaalsContact O-CB 3.28Å; W343-Q361 WeakPolarHBondContact O-CB 3.31Å; W343-Q361 WeakPolarHBondContact O-CG 3.26Å; W343-Q361 PolarHBondContact O-OE1 3.32Å; L359-Q361 PolarHBondContact O-N 3.03Å; Q361-M363 PolarHBondContact O-N 3.33Å; Q361-I364 PolarHBondContact O-N 2.95Å; Q361-F365 HydrophobicContact CG-CD2 4.12Å; Q361-F365 HydrophobicContact CG-CE2 4.3Å; Q361-F365 PolarHBondContact O-N 3.07Å
362P64.2Low59.5Low72 Ų7282 Ų8247%0.46842%0.416SS..Hα-helixtrans-61.4-33179.823.9-35.5000112.3N360 H366N360-P362 WeakPolarHBondContact OD1-CD 3.43Å; P362-H366 WeakPolarHBondContact O-CB 3.26Å; P362-H366 PolarHBondContact O-N 3.47Å
363M63.4Low61.3Low55 Ų5573.8 Ų73.827%0.27138%0.381SS..Hα-helixtrans-70.5-35.7177.5-174.9166.960.600112.1D357 N360 Q361 R367D357-M363 VanDerWaalsContact O-CE 3.31Å; D357-M363 WeakPolarHBondContact O-CE 3.35Å; N360-M363 HydrophobicContact CB-CB 4.39Å; N360-M363 HydrophobicContact CB-CE 4.37Å; N360-M363 WeakPolarHBondContact O-CB 3.45Å; N360-M363 PolarHBondContact O-N 2.93Å; N360-M363 VanDerWaalsContact O-N 3.09Å; Q361-M363 PolarHBondContact O-N 3.33Å; M363-R367 WeakPolarHBondContact O-CB 3.28Å; M363-R367 VanDerWaalsContact O-CG 3.25Å; M363-R367 WeakPolarHBondContact O-CG 3.39Å; M363-R367 PolarHBondContact O-N 2.93Å; M363-R367 PolarHBondContact SD-NH2 2.86Å
364I66.4Low63.1Low48 Ų4870.8 Ų70.825%0.24636%0.364CS..Hα-helixtrans-67.3-50.4174.7-64.8170.3000110.3N360 Q361 H366 R367 I368N360-I364 PolarHBondContact O-N 3.28Å; N360-I364 VanDerWaalsContact O-N 3.11Å; Q361-I364 PolarHBondContact O-N 2.95Å; I364-H366 VanDerWaalsContact C-N 3.31Å; I364-H366 PolarHBondContact O-N 3.37Å; I364-R367 PolarHBondContact O-N 3.35Å; I364-I368 HydrophobicContact CG2-CD1 3.92Å; I364-I368 WeakPolarHBondContact O-CG1 3.28Å; I364-I368 PolarHBondContact O-N 3.33Å
365F70.4Confident64.8Low41 Ų4165 Ų6518%0.1834%0.339CS..Hα-helixtrans-63.9-34.9176.5-84.6-79.5000112.3L301 L305 Q361 I368 N369L301-F365 HydrophobicContact CD2-CE1 3.82Å; L301-F365 HydrophobicContact CD2-CZ 4.4Å; L305-F365 HydrophobicContact CD1-CE2 4Å; L305-F365 HydrophobicContact CD1-CZ 4.04Å; Q361-F365 HydrophobicContact CG-CD2 4.12Å; Q361-F365 HydrophobicContact CG-CE2 4.3Å; Q361-F365 PolarHBondContact O-N 3.07Å; F365-I368 PolarHBondContact O-N 3.48Å; F365-N369 VanDerWaalsContact O-CB 3.24Å; F365-N369 WeakPolarHBondContact O-CB 3.38Å; F365-N369 PolarHBondContact O-N 3.17Å; F365-N369 PolarHBondContact O-ND2 3Å
366H70.6Confident66.4Low117 Ų11759.7 Ų59.754%0.54231%0.306SS..Hα-helixtrans-64-44173-176.564.4000112P362 I364 N369 I370P362-H366 WeakPolarHBondContact O-CB 3.26Å; P362-H366 PolarHBondContact O-N 3.47Å; I364-H366 VanDerWaalsContact C-N 3.31Å; I364-H366 PolarHBondContact O-N 3.37Å; H366-N369 PolarHBondContact O-N 3.4Å; H366-I370 WeakPolarHBondContact NE2-CD1 3.44Å; H366-I370 WeakPolarHBondContact O-CG1 3.41Å; H366-I370 PolarHBondContact O-N 3.44Å
367R67.3Low67.8Low51 Ų5156.7 Ų56.719%0.19229%0.288CS..Hα-helixtrans-63-40.1174.4-75169.2174.9165.5-1.7112.5F148 M363 I364 M371F148-R367 VanDerWaalsContact O-CZ 3.25Å; F148-R367 PolarHBondContact O-NH1 3.17Å; F148-R367 VanDerWaalsContact O-NH1 3.11Å; M363-R367 WeakPolarHBondContact O-CB 3.28Å; M363-R367 VanDerWaalsContact O-CG 3.25Å; M363-R367 WeakPolarHBondContact O-CG 3.39Å; M363-R367 PolarHBondContact O-N 2.93Å; M363-R367 PolarHBondContact SD-NH2 2.86Å; I364-R367 PolarHBondContact O-N 3.35Å; R367-M371 PolarHBondContact O-N 3.12Å
368I71.3Confident69.1Low73 Ų7356.3 Ų56.337%0.37429%0.285SS..Hα-helixtrans-64.9-45.5173.8-69.2168.2000110.7I364 F365 I370 M371 I372I364-I368 HydrophobicContact CG2-CD1 3.92Å; I364-I368 WeakPolarHBondContact O-CG1 3.28Å; I364-I368 PolarHBondContact O-N 3.33Å; F365-I368 PolarHBondContact O-N 3.48Å; I368-I370 PolarHBondContact O-N 2.95Å; I368-M371 WeakPolarHBondContact O-CB 3.42Å; I368-M371 PolarHBondContact O-N 3.18Å; I368-I372 HydrophobicContact CG2-CD1 3.84Å; I368-I372 HydrophobicContact CG2-CG1 4.47Å; I368-I372 WeakPolarHBondContact O-CG1 3.45Å; I368-I372 PolarHBondContact O-N 2.8Å
369N75.3Confident70.3Confident12 Ų1253.2 Ų53.26%0.06427%0.269CS..Hα-helixtrans-59.3-46.2176.5-81-52.8000111.6Y293 K298 F365 H366 M371 I372 D373Y293-N369 WeakPolarHBondContact CE1-OD1 3.38Å; Y293-N369 PolarHBondContact OH-OD1 3.22Å; K298-N369 WeakPolarHBondContact CD-OD1 3.36Å; K298-N369 VanDerWaalsContact CE-CG 3.41Å; K298-N369 WeakPolarHBondContact CE-OD1 3.47Å; K298-N369 PolarHBondContact NZ-OD1 3.11Å; F365-N369 VanDerWaalsContact O-CB 3.24Å; F365-N369 WeakPolarHBondContact O-CB 3.38Å; F365-N369 PolarHBondContact O-N 3.17Å; F365-N369 PolarHBondContact O-ND2 3Å; H366-N369 PolarHBondContact O-N 3.4Å; N369-M371 VanDerWaalsContact C-N 3.34Å; N369-M371 PolarHBondContact O-N 3.45Å; N369-I372 PolarHBondContact O-N 3.36Å; N369-D373 WeakPolarHBondContact O-CB 3.49Å; N369-D373 PolarHBondContact O-N 2.8Å
370I74.2Confident71.4Confident74 Ų7452.6 Ų52.638%0.37927%0.266SS..Hα-helixtrans-58.8-43.9174.4-71.8164.9000111.4H366 I368 I372 D373 I374H366-I370 WeakPolarHBondContact NE2-CD1 3.44Å; H366-I370 WeakPolarHBondContact O-CG1 3.41Å; H366-I370 PolarHBondContact O-N 3.44Å; I368-I370 PolarHBondContact O-N 2.95Å; I370-I372 PolarHBondContact O-N 2.86Å; I370-D373 PolarHBondContact O-N 2.85Å; I370-I374 HydrophobicContact CG2-CD1 3.66Å; I370-I374 HydrophobicContact CG2-CG1 4.38Å; I370-I374 WeakPolarHBondContact O-CB 3.2Å; I370-I374 WeakPolarHBondContact O-CG1 3.43Å; I370-I374 PolarHBondContact O-N 2.84Å
371M70.6Confident72.1Confident70 Ų7050.6 Ų50.635%0.34526%0.257SS..Hα-helixtrans-60.3-43.6175.5-85.6-77.3-70.600112.2W157 R367 I368 N369 I374 I375W157-M371 HydrophobicContact CZ2-SD 4.47Å; R367-M371 PolarHBondContact O-N 3.12Å; I368-M371 WeakPolarHBondContact O-CB 3.42Å; I368-M371 PolarHBondContact O-N 3.18Å; N369-M371 VanDerWaalsContact C-N 3.34Å; N369-M371 PolarHBondContact O-N 3.45Å; M371-I374 PolarHBondContact O-N 3.15Å; M371-I375 WeakPolarHBondContact O-CD1 3.33Å; M371-I375 VanDerWaalsContact O-CG1 3.22Å; M371-I375 WeakPolarHBondContact O-CG1 3.27Å; M371-I375 PolarHBondContact O-N 3.4Å
372I77.5Confident72.7Confident21 Ų2150.3 Ų50.311%0.10826%0.255CS..Hα-helixtrans-65.6-46.9176.9-70.4172.6000110.7L290 Y293 I368 N369 I370 I374 I375 I376L290-I372 HydrophobicContact CB-CG2 4.24Å; L290-I372 HydrophobicContact CD2-CD1 4.47Å; L290-I372 HydrophobicContact CD2-CG1 4.14Å; L290-I372 HydrophobicContact CD2-CG2 4.09Å; Y293-I372 HydrophobicContact CD1-CD1 3.67Å; Y293-I372 HydrophobicContact CD1-CG2 4.09Å; Y293-I372 HydrophobicContact CE1-CD1 3.44Å; Y293-I372 VanDerWaalsContact CE1-CD1 3.44Å; Y293-I372 HydrophobicContact CE1-CG2 4.49Å; Y293-I372 HydrophobicContact CG-CD1 4.36Å; I368-I372 HydrophobicContact CG2-CD1 3.84Å; I368-I372 HydrophobicContact CG2-CG1 4.47Å; I368-I372 WeakPolarHBondContact O-CG1 3.45Å; I368-I372 PolarHBondContact O-N 2.8Å; N369-I372 PolarHBondContact O-N 3.36Å; I370-I372 PolarHBondContact O-N 2.86Å; I372-I374 VanDerWaalsContact C-N 3.29Å; I372-I374 PolarHBondContact O-N 2.67Å; I372-I375 PolarHBondContact O-N 3.03Å; I372-I375 VanDerWaalsContact O-N 3.13Å; I372-I376 HydrophobicContact CG2-CD1 3.7Å; I372-I376 HydrophobicContact CG2-CG1 4.33Å; I372-I376 VanDerWaalsContact O-CG1 3.29Å; I372-I376 WeakPolarHBondContact O-CG1 3.39Å; I372-I376 PolarHBondContact O-N 2.82Å
373D74.3Confident72.7Confident36 Ų3649.9 Ų49.919%0.19325%0.253CS..Hα-helixtrans-60.2-38.7178.7-61.8-22000110.6Q294 K298 N369 I370 Q377Q294-D373 PolarHBondContact NE2-OD1 3.43Å; K298-D373 IonicContact NZ-OD1 3.37Å; K298-D373 PolarHBondContact NZ-OD1 2.94Å; K298-D373 IonicContact NZ-OD2 2.7Å; K298-D373 PolarHBondContact NZ-OD2 3.09Å; N369-D373 WeakPolarHBondContact O-CB 3.49Å; N369-D373 PolarHBondContact O-N 2.8Å; I370-D373 PolarHBondContact O-N 2.85Å; D373-Q377 WeakPolarHBondContact O-CB 3.25Å; D373-Q377 WeakPolarHBondContact O-CG 3.23Å; D373-Q377 PolarHBondContact O-N 2.86Å
374I73.7Confident72.6Confident76 Ų7647.5 Ų47.539%0.3924%0.241SC..Hα-helixtrans-67.6-42.2173.1-71.6167000112.3I370 M371 I372 Q377 L378I370-I374 HydrophobicContact CG2-CD1 3.66Å; I370-I374 HydrophobicContact CG2-CG1 4.38Å; I370-I374 WeakPolarHBondContact O-CB 3.2Å; I370-I374 WeakPolarHBondContact O-CG1 3.43Å; I370-I374 PolarHBondContact O-N 2.84Å; M371-I374 PolarHBondContact O-N 3.15Å; I372-I374 VanDerWaalsContact C-N 3.29Å; I372-I374 PolarHBondContact O-N 2.67Å; I374-Q377 PolarHBondContact O-N 3.16Å; I374-L378 WeakPolarHBondContact O-CB 3.09Å; I374-L378 PolarHBondContact O-N 2.88Å
375I76.9Confident72.1Confident62 Ų6248.2 Ų48.232%0.31825%0.254SS..Hα-helixtrans-66.8-40.9178.2-68.6162.4000110.3L290 M371 I372 L378 L379L290-I375 HydrophobicContact CD1-CB 4.17Å; L290-I375 HydrophobicContact CD1-CG2 3.46Å; L290-I375 VanDerWaalsContact CD1-CG2 3.46Å; M371-I375 WeakPolarHBondContact O-CD1 3.33Å; M371-I375 VanDerWaalsContact O-CG1 3.22Å; M371-I375 WeakPolarHBondContact O-CG1 3.27Å; M371-I375 PolarHBondContact O-N 3.4Å; I372-I375 PolarHBondContact O-N 3.03Å; I372-I375 VanDerWaalsContact O-N 3.13Å; I375-L378 PolarHBondContact O-N 3.47Å; I375-L379 HydrophobicContact CG2-CD1 3.78Å; I375-L379 HydrophobicContact CG2-CG 4.36Å; I375-L379 WeakPolarHBondContact O-CB 3.23Å; I375-L379 VanDerWaalsContact O-CG 3.26Å; I375-L379 WeakPolarHBondContact O-CG 3.41Å; I375-L379 PolarHBondContact O-N 3.4Å
376I78.6Confident71.5Confident5 Ų546.9 Ų46.93%0.02625%0.25CC..Hα-helixtrans-60-49.5173.1-67.8167.5000109.9L290 K291 Q294 I372 L378 L379 D380L290-I376 HydrophobicContact CB-CD1 3.97Å; L290-I376 HydrophobicContact CB-CG1 3.73Å; K291-I376 HydrophobicContact CD-CG2 4.42Å; K291-I376 VanDerWaalsContact CE-CG2 3.47Å; K291-I376 HydrophobicContact CG-CD1 4.21Å; K291-I376 HydrophobicContact CG-CG1 4.36Å; K291-I376 HydrophobicContact CG-CG2 3.99Å; Q294-I376 HydrophobicContact CB-CD1 4.05Å; Q294-I376 HydrophobicContact CG-CD1 4.36Å; I372-I376 HydrophobicContact CG2-CD1 3.7Å; I372-I376 HydrophobicContact CG2-CG1 4.33Å; I372-I376 VanDerWaalsContact O-CG1 3.29Å; I372-I376 WeakPolarHBondContact O-CG1 3.39Å; I372-I376 PolarHBondContact O-N 2.82Å; I376-L378 VanDerWaalsContact C-N 3.34Å; I376-L378 PolarHBondContact O-N 3.07Å; I376-L379 CarbonylContact O-C 3.52Å; I376-L379 PolarHBondContact O-N 3.04Å; I376-L379 VanDerWaalsContact O-N 3.13Å; I376-D380 WeakPolarHBondContact CG2-OD2 3.48Å; I376-D380 WeakPolarHBondContact O-CB 3.42Å; I376-D380 PolarHBondContact O-N 3.48Å
377Q75Confident71.3Confident77 Ų7744.3 Ų44.336%0.3624%0.238SC..Hα-helixtrans-54.6-47.7175.9-76.3168.626.100112.1Y229 D373 I374 L379 D380 C381Y229-Q377 HydrophobicContact CD2-CG 4.48Å; Y229-Q377 HydrophobicContact CE2-CG 3.77Å; D373-Q377 WeakPolarHBondContact O-CB 3.25Å; D373-Q377 WeakPolarHBondContact O-CG 3.23Å; D373-Q377 PolarHBondContact O-N 2.86Å; I374-Q377 PolarHBondContact O-N 3.16Å; Q377-L379 VanDerWaalsContact C-N 3.34Å; Q377-L379 PolarHBondContact O-N 3.43Å; Q377-D380 PolarHBondContact O-N 3.16Å; Q377-C381 PolarHBondContact O-N 3.01Å; Q377-C381 PolarHBondContact O-SG 2.75Å
378L75.8Confident71.7Confident74 Ų7443.6 Ų43.639%0.38724%0.237SC..Hα-helixtrans-62.9-38.9178.3-170.2151.3000112.2L236 I374 I375 I376 D380 C381 F382L236-L378 HydrophobicContact CD2-CD1 4.42Å; L236-L378 HydrophobicContact CD2-CG 4.19Å; I374-L378 WeakPolarHBondContact O-CB 3.09Å; I374-L378 PolarHBondContact O-N 2.88Å; I375-L378 PolarHBondContact O-N 3.47Å; I376-L378 VanDerWaalsContact C-N 3.34Å; I376-L378 PolarHBondContact O-N 3.07Å; L378-D380 VanDerWaalsContact C-N 3.35Å; L378-C381 PolarHBondContact O-N 2.8Å; L378-F382 VanDerWaalsContact O-CD2 3.32Å; L378-F382 WeakPolarHBondContact O-CD2 3.27Å
379L77.7Confident72.2Confident9 Ų945.1 Ų45.15%0.04724%0.239CC..Hα-helixtrans-79.2-12.8177.5-65.1173.8000113.6L283 L286 K287 I375 I376 Q377 L384L283-L379 HydrophobicContact CD2-CD2 4.36Å; L286-L379 HydrophobicContact CD2-CD1 4.41Å; L286-L379 HydrophobicContact CG-CD1 4.49Å; K287-L379 HydrophobicContact CB-CB 4.24Å; K287-L379 HydrophobicContact CB-CD1 4.07Å; K287-L379 HydrophobicContact CD-CB 4.05Å; K287-L379 WeakPolarHBondContact CD-O 3.5Å; K287-L379 WeakPolarHBondContact CE-O 3.48Å; K287-L379 HydrophobicContact CG-CB 4.11Å; K287-L379 PolarHBondContact NZ-O 3.37Å; I375-L379 HydrophobicContact CG2-CD1 3.78Å; I375-L379 HydrophobicContact CG2-CG 4.36Å; I375-L379 WeakPolarHBondContact O-CB 3.23Å; I375-L379 VanDerWaalsContact O-CG 3.26Å; I375-L379 WeakPolarHBondContact O-CG 3.41Å; I375-L379 PolarHBondContact O-N 3.4Å; I376-L379 CarbonylContact O-C 3.52Å; I376-L379 PolarHBondContact O-N 3.04Å; I376-L379 VanDerWaalsContact O-N 3.13Å; Q377-L379 VanDerWaalsContact C-N 3.34Å; Q377-L379 PolarHBondContact O-N 3.43Å; L379-L384 HydrophobicContact CB-CD1 4Å; L379-L384 HydrophobicContact CD2-CD1 3.89Å; L379-L384 HydrophobicContact CD2-CD2 4.42Å; L379-L384 HydrophobicContact CG-CD1 4.5Å; L379-L384 WeakPolarHBondContact O-CD1 3.41Å
380D76.5Confident72.5Confident50 Ų5046.1 Ų46.127%0.26725%0.252SS..Hα-helixtrans-90.5-27.8167.6-84.6-47.8000112.9Y229 K287 K291 I376 Q377 L378 F382Y229-D380 HydrophobicContact CE1-CB 3.89Å; Y229-D380 WeakPolarHBondContact OH-CB 3.49Å; Y229-D380 PolarHBondContact OH-OD2 3.25Å; Y229-D380 VanDerWaalsContact OH-OD2 3.1Å; K287-D380 WeakPolarHBondContact CE-OD1 3.28Å; K287-D380 IonicContact NZ-OD1 3.74Å; K287-D380 PolarHBondContact NZ-OD1 3.23Å; K291-D380 WeakPolarHBondContact CE-OD2 3.43Å; K291-D380 IonicContact NZ-OD1 3.15Å; K291-D380 PolarHBondContact NZ-OD1 3.18Å; K291-D380 IonicContact NZ-OD2 3.53Å; K291-D380 PolarHBondContact NZ-OD2 3.27Å; I376-D380 WeakPolarHBondContact CG2-OD2 3.48Å; I376-D380 WeakPolarHBondContact O-CB 3.42Å; I376-D380 PolarHBondContact O-N 3.48Å; Q377-D380 PolarHBondContact O-N 3.16Å; L378-D380 VanDerWaalsContact C-N 3.35Å; D380-F382 PolarHBondContact O-N 3.43Å; D380-F382 VanDerWaalsContact O-N 3.15Å
381C74.2Confident73Confident27 Ų2743.1 Ų43.118%0.18224%0.237CC..SBendtrans-63.2-16.7175.2-72.30000114.7C233 Q377 L378C233-C381 WeakPolarHBondContact CA-SG 3.5Å; C233-C381 HydrophobicContact CB-CB 3.48Å; C233-C381 VanDerWaalsContact CB-CB 3.48Å; C233-C381 WeakPolarHBondContact CB-SG 3.48Å; C233-C381 WeakPolarHBondContact SG-CA 3.22Å; C233-C381 WeakPolarHBondContact SG-CB 3.06Å; C233-C381 CovalentContact SG-SG 2.04Å; C233-C381 PolarHBondContact SG-SG 3.13Å; Q377-C381 PolarHBondContact O-N 3.01Å; Q377-C381 PolarHBondContact O-SG 2.75Å; L378-C381 PolarHBondContact O-N 2.8Å
382F72Confident73.5Confident6 Ų646.2 Ų46.23%0.02626%0.255CS..SBendtrans-123.7134.9178.7-60.3-73.1000111.3L236 D237 L240 L256 N257 L378 D380 L384L236-F382 HydrophobicContact CD2-CE2 3.69Å; L236-F382 HydrophobicContact CD2-CZ 3.91Å; L236-F382 HydrophobicContact CG-CE2 4.48Å; L236-F382 HydrophobicContact CG-CZ 4.23Å; D237-F382 HydrophobicContact CB-CE1 4.35Å; L240-F382 HydrophobicContact CD1-CE1 4.32Å; L240-F382 HydrophobicContact CD1-CZ 3.71Å; L256-F382 HydrophobicContact CB-CB 4.23Å; L256-F382 HydrophobicContact CB-CD1 4.05Å; L256-F382 HydrophobicContact CB-CD2 4.2Å; L256-F382 HydrophobicContact CB-CG 3.88Å; L256-F382 HydrophobicContact CD1-CD2 3.87Å; L256-F382 HydrophobicContact CD1-CE2 3.76Å; L256-F382 HydrophobicContact CD1-CG 4.38Å; L256-F382 HydrophobicContact CD1-CZ 4.17Å; L256-F382 HydrophobicContact CD2-CD2 4.12Å; L256-F382 HydrophobicContact CD2-CG 4.43Å; L256-F382 HydrophobicContact CG-CD2 4.29Å; L256-F382 HydrophobicContact CG-CG 4.45Å; N257-F382 HydrophobicContact CB-CD1 4.41Å; L378-F382 VanDerWaalsContact O-CD2 3.32Å; L378-F382 WeakPolarHBondContact O-CD2 3.27Å; D380-F382 PolarHBondContact O-N 3.43Å; D380-F382 VanDerWaalsContact O-N 3.15Å; F382-L384 VanDerWaalsContact C-N 3.26Å; F382-L384 PolarHBondContact O-N 3.08Å
383P64.8Low73.7Confident64 Ų6449.4 Ų49.442%0.41627%0.272SS..  trans-72.882.9170.931.3-33.6000109.9A385P383-A385 CarbonylContact O-C 3.24Å; P383-A385 PolarHBondContact O-N 3.34Å
384L62Low74Confident5 Ų551.8 Ų51.83%0.02628%0.282CS..  trans-57.6-17.7179.2-68.7164.3000113.9L256 L283 I284 K287 L379 F382 T386L256-L384 HydrophobicContact CD2-CD2 4.03Å; L283-L384 HydrophobicContact CB-CD1 4.48Å; L283-L384 HydrophobicContact CB-CD2 4.22Å; L283-L384 HydrophobicContact CD1-CD2 4.44Å; I284-L384 HydrophobicContact CD1-CB 4.22Å; I284-L384 HydrophobicContact CG1-CB 3.71Å; I284-L384 HydrophobicContact CG1-CD1 4.44Å; K287-L384 HydrophobicContact CD-CD1 3.97Å; L379-L384 HydrophobicContact CB-CD1 4Å; L379-L384 HydrophobicContact CD2-CD1 3.89Å; L379-L384 HydrophobicContact CD2-CD2 4.42Å; L379-L384 HydrophobicContact CG-CD1 4.5Å; L379-L384 WeakPolarHBondContact O-CD1 3.41Å; F382-L384 VanDerWaalsContact C-N 3.26Å; F382-L384 PolarHBondContact O-N 3.08Å; L384-T386 PolarHBondContact O-N 3.21Å
385A56.5Low74.3Confident63 Ų6351.2 Ų51.252%0.52129%0.285SS..SBendtrans-69.782.1164.500000109.4P383 H387P383-A385 CarbonylContact O-C 3.24Å; P383-A385 PolarHBondContact O-N 3.34Å; A385-H387 PolarHBondContact O-N 3.3Å
386T57.1Low74.4Confident13 Ų1352.1 Ų52.18%0.0829%0.289CS..  trans-53.2128.5-179.349.50000111M277 Q280 L384 I388M277-T386 VanDerWaalsContact CE-OG1 3.3Å; M277-T386 WeakPolarHBondContact CE-OG1 3.05Å; Q280-T386 HydrophobicContact CB-CG2 4.45Å; Q280-T386 HydrophobicContact CG-CG2 3.76Å; L384-T386 PolarHBondContact O-N 3.21Å; T386-I388 VanDerWaalsContact C-N 3.26Å; T386-I388 PolarHBondContact O-N 3.13Å
387H66.6Low74.6Confident62 Ų6251.9 Ų51.929%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-70.481.6178.4-72.5-70.4000110.9Y259 I260 A385 Y389Y259-H387 HydrophobicContact CD1-CB 3.41Å; Y259-H387 VanDerWaalsContact CD1-CB 3.41Å; Y259-H387 HydrophobicContact CE1-CB 3.55Å; Y259-H387 AromaticContact CE1-CD2 3.37Å; Y259-H387 WeakPolarHBondContact CE1-CD2 3.47Å; Y259-H387 AromaticContact CE1-CG 3.57Å; Y259-H387 HydrophobicContact CG-CB 4.06Å; Y259-H387 AromaticContact CZ-CD2 3.38Å; Y259-H387 PolarHBondContact OH-CD2 3.23Å; I260-H387 PolarHBondContact N-O 3.37Å; A385-H387 PolarHBondContact O-N 3.3Å; H387-Y389 HydrophobicContact CB-CD2 4.2Å; H387-Y389 HydrophobicContact CB-CE2 3.63Å; H387-Y389 AromaticContact ND1-CZ 3.68Å; H387-Y389 PolarHBondContact ND1-OH 2.93Å
388I75.3Confident74.7Confident36 Ų3650.9 Ų50.919%0.18529%0.285CS..EExtended strand (participates in β ladder)trans-87111.3168.2-47.1-165.4000108.5I260 Y262 M273 M277 T386I260-I388 HydrophobicContact CB-CG1 4.22Å; I260-I388 HydrophobicContact CB-CG2 4.19Å; I260-I388 HydrophobicContact CD1-CD1 4.24Å; I260-I388 HydrophobicContact CD1-CG1 4.37Å; I260-I388 HydrophobicContact CG2-CG2 4.24Å; I260-I388 CarbonylContact O-C 3.57Å; I260-I388 VanDerWaalsContact O-CA 3.24Å; I260-I388 WeakPolarHBondContact O-CA 3.41Å; Y262-I388 HydrophobicContact CD1-CG2 3.63Å; Y262-I388 HydrophobicContact CE1-CG2 3.59Å; M273-I388 HydrophobicContact CB-CG2 4.25Å; M273-I388 HydrophobicContact CG-CG2 4.41Å; M273-I388 HydrophobicContact SD-CG2 4.36Å; M277-I388 HydrophobicContact CG-CD1 3.48Å; M277-I388 VanDerWaalsContact CG-CD1 3.48Å; M277-I388 HydrophobicContact CG-CG1 4.43Å; M277-I388 HydrophobicContact SD-CD1 3.62Å; M277-I388 HydrophobicContact SD-CG1 4.08Å; T386-I388 VanDerWaalsContact C-N 3.26Å; T386-I388 PolarHBondContact O-N 3.13Å
389Y81.5Confident74.8Confident106 Ų10650.9 Ų50.942%0.41629%0.288SS..EExtended strand (participates in β ladder)trans-110.1111.3-179.7-69.8-61.2000111Y259 I260 F261 Y262 H387Y259-Y389 HydrophobicContact CD1-CE2 4.27Å; Y259-Y389 HydrophobicContact CE1-CE2 4.46Å; I260-Y389 PolarHBondContact O-N 2.8Å; F261-Y389 CarbonylContact C-O 3.57Å; F261-Y389 WeakPolarHBondContact CA-O 3.38Å; F261-Y389 HydrophobicContact CD1-CD2 4.29Å; F261-Y389 HydrophobicContact CD1-CG 4.42Å; F261-Y389 AromaticContact CE1-CD2 3.6Å; F261-Y389 HydrophobicContact CE1-CD2 3.6Å; F261-Y389 HydrophobicContact CE1-CG 4.02Å; F261-Y389 AromaticContact CZ-CD2 3.85Å; F261-Y389 HydrophobicContact CZ-CD2 3.85Å; Y262-Y389 PolarHBondContact N-O 2.88Å; H387-Y389 HydrophobicContact CB-CD2 4.2Å; H387-Y389 HydrophobicContact CB-CE2 3.63Å; H387-Y389 AromaticContact ND1-CZ 3.68Å; H387-Y389 PolarHBondContact ND1-OH 2.93Å
390G82.4Confident74.8Confident33 Ų3354.5 Ų54.534%0.3430%0.302SS..EExtended strand (participates in β ladder)trans-70.1129.6164.500000109.9Y262Y262-G390 VanDerWaalsContact CZ-CA 3.47Å
391V83.9Confident74.8Confident11 Ų1152.2 Ų52.27%0.06729%0.29CS..  trans-115.8122.9178-1680000109F261 Y262 Y263 V265 N393 M396 F397 Y400F261-V391 HydrophobicContact CD1-CG2 3.95Å; Y262-V391 PolarHBondContact O-N 2.9Å; Y263-V391 VanDerWaalsContact CD2-O 3.28Å; Y263-V391 WeakPolarHBondContact CD2-O 3.29Å; V265-V391 VanDerWaalsContact CG2-N 3.33Å; V391-N393 VanDerWaalsContact C-N 3.29Å; V391-N393 WeakPolarHBondContact CG1-O 3.28Å; V391-N393 PolarHBondContact O-N 3.24Å; V391-M396 HydrophobicContact CG1-CB 3.75Å; V391-F397 HydrophobicContact CB-CB 4.24Å; V391-F397 HydrophobicContact CG1-CB 4.17Å; V391-F397 HydrophobicContact CG2-CD2 4.5Å; V391-Y400 HydrophobicContact CG1-CD2 4.37Å; V391-Y400 HydrophobicContact CG1-CE2 4.27Å; V391-Y400 HydrophobicContact CG2-CD2 4.19Å; V391-Y400 HydrophobicContact CG2-CE2 4.48Å
392N81.3Confident74.5Confident135 Ų13554.8 Ų54.872%0.72230%0.301SS*.SBendtrans-75.7-14.7-175.3-64.50.4000113.6V265V265-N392 WeakPolarHBondContact CB-OD1 3.33Å; V265-N392 VanDerWaalsContact CG2-OD1 3.28Å; V265-N392 WeakPolarHBondContact CG2-OD1 3.28Å
393N82.3Confident74.4Confident87 Ų8760.1 Ų60.147%0.46533%0.329SS..  trans-131.8130.4-175.8-169.1-20.6000111.9V391 S395 M396 F397V391-N393 VanDerWaalsContact C-N 3.29Å; V391-N393 WeakPolarHBondContact CG1-O 3.28Å; V391-N393 PolarHBondContact O-N 3.24Å; N393-S395 VanDerWaalsContact C-N 3.26Å; N393-S395 VanDerWaalsContact CG-OG 3.28Å; N393-S395 PolarHBondContact ND2-OG 3.36Å; N393-S395 PolarHBondContact O-N 2.68Å; N393-S395 PolarHBondContact OD1-N 3.37Å; N393-S395 PolarHBondContact OD1-OG 3.01Å; N393-S395 VanDerWaalsContact OD1-OG 3.05Å; N393-M396 HydrophobicContact CB-CB 4.46Å; N393-M396 HydrophobicContact CB-CG 4.43Å; N393-M396 PolarHBondContact O-N 3.43Å; N393-F397 PolarHBondContact O-N 3.41Å
394Q80.7Confident74.4Confident86 Ų8660.9 Ų60.940%0.40233%0.326SS..Hα-helixtrans-62.9-29.8-179.3-163.6-177.824.500112.7Y263 N398 L416Y263-Q394 HydrophobicContact CD1-CB 4.46Å; Y263-Q394 HydrophobicContact CD1-CG 4.48Å; Y263-Q394 HydrophobicContact CD2-CB 4.33Å; Y263-Q394 HydrophobicContact CE1-CB 4.08Å; Y263-Q394 HydrophobicContact CE1-CG 4.33Å; Y263-Q394 HydrophobicContact CE2-CB 3.99Å; Y263-Q394 VanDerWaalsContact CE2-N 3.27Å; Q394-N398 PolarHBondContact O-N 2.93Å; Q394-N398 PolarHBondContact O-ND2 3.45Å; Q394-L416 HydrophobicContact CG-CD1 3.78Å
395S78.6Confident74.2Confident65 Ų6562.2 Ų62.246%0.45533%0.332SS..Hα-helixtrans-65.8-48.6175.364.30000111.3N393 F397 N398 V399N393-S395 VanDerWaalsContact C-N 3.26Å; N393-S395 VanDerWaalsContact CG-OG 3.28Å; N393-S395 PolarHBondContact ND2-OG 3.36Å; N393-S395 PolarHBondContact O-N 2.68Å; N393-S395 PolarHBondContact OD1-N 3.37Å; N393-S395 PolarHBondContact OD1-OG 3.01Å; N393-S395 VanDerWaalsContact OD1-OG 3.05Å; S395-F397 VanDerWaalsContact C-N 3.34Å; S395-F397 PolarHBondContact O-N 3.36Å; S395-N398 WeakPolarHBondContact O-CB 3.34Å; S395-N398 PolarHBondContact O-N 3.45Å; S395-N398 VanDerWaalsContact O-N 3.14Å; S395-V399 WeakPolarHBondContact O-CG2 3.29Å; S395-V399 PolarHBondContact O-N 3.47Å
396M79.2Confident74.2Confident81 Ų8162.6 Ų62.640%0.39933%0.331SS..Hα-helixtrans-62-40.1175.5-71.1-62.3-69.300111.9V391 N393 N398 V399 Y400V391-M396 HydrophobicContact CG1-CB 3.75Å; N393-M396 HydrophobicContact CB-CB 4.46Å; N393-M396 HydrophobicContact CB-CG 4.43Å; N393-M396 PolarHBondContact O-N 3.43Å; M396-N398 VanDerWaalsContact C-N 3.33Å; M396-N398 PolarHBondContact O-N 3.27Å; M396-V399 PolarHBondContact O-N 3.15Å; M396-V399 VanDerWaalsContact O-N 3.08Å; M396-Y400 HydrophobicContact CB-CE2 4.2Å; M396-Y400 HydrophobicContact CE-CE2 3.94Å; M396-Y400 WeakPolarHBondContact CE-OH 3.45Å; M396-Y400 WeakPolarHBondContact O-CD2 3.09Å; M396-Y400 PolarHBondContact O-N 3.48Å
397F83.4Confident74Confident0 Ų066 Ų660%035%0.346CS..Hα-helixtrans-58-45.2172.7172.5-96.8000111.5F261 V391 N393 S395 V399 M401 L416F261-F397 HydrophobicContact CB-CD2 4.03Å; F261-F397 HydrophobicContact CB-CE2 3.95Å; V391-F397 HydrophobicContact CB-CB 4.24Å; V391-F397 HydrophobicContact CG1-CB 4.17Å; V391-F397 HydrophobicContact CG2-CD2 4.5Å; N393-F397 PolarHBondContact O-N 3.41Å; S395-F397 VanDerWaalsContact C-N 3.34Å; S395-F397 PolarHBondContact O-N 3.36Å; F397-V399 VanDerWaalsContact C-N 3.33Å; F397-V399 PolarHBondContact O-N 3.23Å; F397-M401 HydrophobicContact CE1-CG 4.4Å; F397-M401 HydrophobicContact CE2-CG 4.3Å; F397-M401 HydrophobicContact CZ-CG 4.23Å; F397-M401 WeakPolarHBondContact O-CB 3.39Å; F397-M401 VanDerWaalsContact O-CG 3.29Å; F397-M401 WeakPolarHBondContact O-CG 3.26Å; F397-M401 PolarHBondContact O-N 3.22Å; F397-L416 HydrophobicContact CD1-CD1 4.06Å; F397-L416 HydrophobicContact CE1-CB 4.05Å; F397-L416 HydrophobicContact CE1-CD1 3.9Å; F397-L416 HydrophobicContact CZ-CB 4.04Å
398N77.3Confident73.2Confident55 Ų5568.9 Ų68.929%0.29437%0.367SS..Hα-helixtrans-64.6-32.8173.9-72.7-42.4000112.9Q394 S395 M396 N402 R442Q394-N398 PolarHBondContact O-N 2.93Å; Q394-N398 PolarHBondContact O-ND2 3.45Å; S395-N398 WeakPolarHBondContact O-CB 3.34Å; S395-N398 PolarHBondContact O-N 3.45Å; S395-N398 VanDerWaalsContact O-N 3.14Å; M396-N398 VanDerWaalsContact C-N 3.33Å; M396-N398 PolarHBondContact O-N 3.27Å; N398-N402 WeakPolarHBondContact O-CB 3.46Å; N398-N402 PolarHBondContact O-N 3.24Å; N398-N402 VanDerWaalsContact O-N 3.1Å; N398-N402 PolarHBondContact O-ND2 3.2Å; N398-R442 PolarHBondContact OD1-NH1 3.42Å
399V78Confident72.5Confident75 Ų7568.8 Ų68.846%0.45537%0.366SS..Hα-helixtrans-68.5-51.3175.2171.30000110.9S395 M396 F397 M401 N402 L403S395-V399 WeakPolarHBondContact O-CG2 3.29Å; S395-V399 PolarHBondContact O-N 3.47Å; M396-V399 PolarHBondContact O-N 3.15Å; M396-V399 VanDerWaalsContact O-N 3.08Å; F397-V399 VanDerWaalsContact C-N 3.33Å; F397-V399 PolarHBondContact O-N 3.23Å; V399-M401 VanDerWaalsContact C-N 3.35Å; V399-M401 PolarHBondContact O-N 3.32Å; V399-N402 CarbonylContact O-C 3.59Å; V399-N402 WeakPolarHBondContact O-CA 3.37Å; V399-N402 PolarHBondContact O-N 3.22Å; V399-L403 HydrophobicContact CG1-CD1 4.31Å; V399-L403 PolarHBondContact O-N 2.83Å
400Y76.5Confident71.5Confident85 Ų8565.2 Ų65.233%0.33336%0.356SS..Hα-helixtrans-58.7-45.2177.3-66.3-55.9000111.9F261 V391 M396 N402 L403 F404F261-Y400 HydrophobicContact CD1-CD2 4.44Å; F261-Y400 HydrophobicContact CE1-CD2 4.32Å; F261-Y400 HydrophobicContact CE1-CG 4.1Å; V391-Y400 HydrophobicContact CG1-CD2 4.37Å; V391-Y400 HydrophobicContact CG1-CE2 4.27Å; V391-Y400 HydrophobicContact CG2-CD2 4.19Å; V391-Y400 HydrophobicContact CG2-CE2 4.48Å; M396-Y400 HydrophobicContact CB-CE2 4.2Å; M396-Y400 HydrophobicContact CE-CE2 3.94Å; M396-Y400 WeakPolarHBondContact CE-OH 3.45Å; M396-Y400 WeakPolarHBondContact O-CD2 3.09Å; M396-Y400 PolarHBondContact O-N 3.48Å; Y400-N402 PolarHBondContact O-N 3.35Å; Y400-L403 HydrophobicContact CD1-CD1 4.31Å; Y400-L403 PolarHBondContact O-N 3.08Å; Y400-L403 VanDerWaalsContact O-N 3.12Å; Y400-F404 VanDerWaalsContact O-CD2 3.3Å; Y400-F404 WeakPolarHBondContact O-CD2 3.43Å; Y400-F404 PolarHBondContact O-N 3.34Å
401M76.2Confident70.9Confident2 Ų263.8 Ų63.81%0.0134%0.341CS..Hα-helixtrans-66-20175.5-66.6-53.9-53.600113.8F261 F397 V399 V412 L1622F261-M401 HydrophobicContact CB-SD 4.29Å; F261-M401 HydrophobicContact CD2-SD 4.01Å; F261-M401 HydrophobicContact CG-SD 4.46Å; F397-M401 HydrophobicContact CE1-CG 4.4Å; F397-M401 HydrophobicContact CE2-CG 4.3Å; F397-M401 HydrophobicContact CZ-CG 4.23Å; F397-M401 WeakPolarHBondContact O-CB 3.39Å; F397-M401 VanDerWaalsContact O-CG 3.29Å; F397-M401 WeakPolarHBondContact O-CG 3.26Å; F397-M401 PolarHBondContact O-N 3.22Å; V399-M401 VanDerWaalsContact C-N 3.35Å; V399-M401 PolarHBondContact O-N 3.32Å; M401-V412 HydrophobicContact CE-CG1 4.04Å; M401-V412 HydrophobicContact SD-CG1 3.91Å; M401-L1622 HydrophobicContact CB-CD2 3.96Å; M401-L1622 HydrophobicContact CE-CD1 4Å; M401-L1622 HydrophobicContact CE-CD2 4.34Å; M401-L1622 WeakPolarHBondContact O-CD1 3.36Å
402N69.4Low70.6Confident81 Ų8163.8 Ų63.843%0.43334%0.341SS..Hα-helixtrans-85.9-24.4171.9-83.1-51.2000113.6N398 V399 Y400 K405N398-N402 WeakPolarHBondContact O-CB 3.46Å; N398-N402 PolarHBondContact O-N 3.24Å; N398-N402 VanDerWaalsContact O-N 3.1Å; N398-N402 PolarHBondContact O-ND2 3.2Å; V399-N402 CarbonylContact O-C 3.59Å; V399-N402 WeakPolarHBondContact O-CA 3.37Å; V399-N402 PolarHBondContact O-N 3.22Å; Y400-N402 PolarHBondContact O-N 3.35Å; N402-K405 WeakPolarHBondContact O-CB 3.11Å; N402-K405 WeakPolarHBondContact OD1-CD 3.18Å; N402-K405 PolarHBondContact OD1-NZ 3.36Å
403L69.1Low70.6Confident117 Ų11757.4 Ų57.461%0.61331%0.306SS*.Hα-helixtrans-69.5-45.7174.4-71.2168.4000111.1V399 Y400 K405V399-L403 HydrophobicContact CG1-CD1 4.31Å; V399-L403 PolarHBondContact O-N 2.83Å; Y400-L403 HydrophobicContact CD1-CD1 4.31Å; Y400-L403 PolarHBondContact O-N 3.08Å; Y400-L403 VanDerWaalsContact O-N 3.12Å; L403-K405 PolarHBondContact O-N 2.78Å
404F65.1Low70.8Confident80 Ų8053.2 Ų53.235%0.35128%0.284SS..THydrogen-bonded Turntrans-81.734.1179.9-61.8-71.8000114.4F261 Y400 V412F261-F404 AromaticContact CE2-CD2 3.99Å; F261-F404 HydrophobicContact CE2-CD2 3.99Å; F261-F404 AromaticContact CE2-CE2 3.87Å; F261-F404 HydrophobicContact CE2-CE2 3.87Å; F261-F404 HydrophobicContact CZ-CD2 4.31Å; F261-F404 AromaticContact CZ-CE2 3.75Å; F261-F404 HydrophobicContact CZ-CE2 3.75Å; Y400-F404 VanDerWaalsContact O-CD2 3.3Å; Y400-F404 WeakPolarHBondContact O-CD2 3.43Å; Y400-F404 PolarHBondContact O-N 3.34Å; F404-V412 HydrophobicContact CB-CB 4.09Å; F404-V412 HydrophobicContact CB-CG1 4.32Å; F404-V412 HydrophobicContact CB-CG2 3.59Å; F404-V412 HydrophobicContact CD1-CG2 4.06Å; F404-V412 HydrophobicContact CD2-CG1 4.35Å; F404-V412 HydrophobicContact CD2-CG2 4.26Å; F404-V412 HydrophobicContact CG-CG2 3.72Å
405K58.6Low71.2Confident34 Ų3449.1 Ų49.115%0.14827%0.265CS..THydrogen-bonded Turntrans-98.4-13.8-168.9-164.8169.8-171.2172.70114.4N402 L403 N444 T1623 L1625N402-K405 WeakPolarHBondContact O-CB 3.11Å; N402-K405 WeakPolarHBondContact OD1-CD 3.18Å; N402-K405 PolarHBondContact OD1-NZ 3.36Å; L403-K405 PolarHBondContact O-N 2.78Å; K405-N444 PolarHBondContact O-ND2 2.87Å; K405-T1623 WeakPolarHBondContact CE-O 3.44Å; K405-T1623 PolarHBondContact NZ-O 3.01Å; K405-T1623 PolarHBondContact NZ-OG1 2.87Å; K405-L1625 HydrophobicContact CD-CD1 4.04Å
406S55.2Low71.6Confident71 Ų7146.5 Ų46.550%0.49725%0.245SC..SBendtrans-76.8169.2176.769.60000111.9V408S406-V408 PolarHBondContact O-N 3.05Å
407Q52.5Low71.9Confident85 Ų8543.1 Ų43.140%0.39723%0.229SC..SBendtrans-77.12.1-179.1-65.7-173.9-64.900114.3Y446Q407-Y446 HydrophobicContact CG-CD2 4.09Å; Q407-Y446 HydrophobicContact CG-CE2 3.71Å; Q407-Y446 PolarHBondContact NE2-OH 2.71Å
408V51.1Low71.2Confident121 Ų12145.8 Ų45.873%0.73324%0.243SC*.SBendtrans-98.6105.1-178.4-1730000109S406S406-V408 PolarHBondContact O-N 3.05Å
409H60Low70.5Confident35 Ų3547 Ų4716%0.16225%0.249CC..  trans-58.3158-172.8-73.9-55000114.7R241 R253R241-H409 PolarHBondContact NH1-O 3.44Å; R253-H409 PolarHBondContact NH2-CD2 3.04Å; R253-H409 VanDerWaalsContact NH2-CD2 3.26Å; R253-H409 PolarHBondContact NH2-NE2 3.36Å
410P61.6Low69.3Low31 Ų3145.2 Ų45.220%0.20124%0.239CC..  cis-79.2177.346.926.2-36.7000117.3Y259 V412Y259-P410 HydrophobicContact CD2-CB 3.51Å; Y259-P410 HydrophobicContact CD2-CG 3.6Å; Y259-P410 HydrophobicContact CE2-CB 3.55Å; Y259-P410 HydrophobicContact CE2-CG 3.52Å; Y259-P410 HydrophobicContact CG-CG 4.4Å; P410-V412 HydrophobicContact CG-CG2 4.27Å
411I68.5Low67.9Low3 Ų347.9 Ų47.92%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-86.1124.9167.5-63.2177.2000107.7G250 R253 F254 Y259 I447G250-I411 WeakPolarHBondContact O-CD1 3.45Å; R253-I411 HydrophobicContact CB-CD1 4.13Å; R253-I411 HydrophobicContact CG-CD1 4.39Å; F254-I411 HydrophobicContact CB-CD1 4.14Å; F254-I411 HydrophobicContact CB-CG2 4.42Å; F254-I411 HydrophobicContact CD2-CG2 4.22Å; Y259-I411 PolarHBondContact N-O 2.73Å; I411-I447 HydrophobicContact CG2-CD1 4.29Å
412V77.6Confident66.7Low11 Ų1152.5 Ų52.57%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-123.5129.3-175.9-171.90000110.5Y259 F261 M401 F404 P410Y259-V412 WeakPolarHBondContact O-CA 3.43Å; F261-V412 HydrophobicContact CD2-CG1 3.57Å; F261-V412 HydrophobicContact CE2-CG1 3.61Å; M401-V412 HydrophobicContact CE-CG1 4.04Å; M401-V412 HydrophobicContact SD-CG1 3.91Å; F404-V412 HydrophobicContact CB-CB 4.09Å; F404-V412 HydrophobicContact CB-CG1 4.32Å; F404-V412 HydrophobicContact CB-CG2 3.59Å; F404-V412 HydrophobicContact CD1-CG2 4.06Å; F404-V412 HydrophobicContact CD2-CG1 4.35Å; F404-V412 HydrophobicContact CD2-CG2 4.26Å; F404-V412 HydrophobicContact CG-CG2 3.72Å; P410-V412 HydrophobicContact CG-CG2 4.27Å
413Q82.4Confident65.3Low0 Ų053.6 Ų53.60%029%0.292CS..EExtended strand (participates in β ladder)trans-119.1132.8174.3-51.7-156.339.100109.9F254 Y259 I260 F261 Q443 I484F254-Q413 HydrophobicContact CE2-CG 4.28Å; Y259-Q413 PolarHBondContact O-N 2.91Å; I260-Q413 WeakPolarHBondContact CA-O 3.43Å; F261-Q413 PolarHBondContact N-O 3.01Å; Q413-Q443 HydrophobicContact CG-CG 4.22Å; Q413-I484 HydrophobicContact CB-CD1 4.24Å; Q413-I484 VanDerWaalsContact CD-CD1 3.43Å; Q413-I484 HydrophobicContact CG-CD1 4.23Å
414G86.6Confident64Low0 Ų053.1 Ų53.10%030%0.298CS..EExtended strand (participates in β ladder)trans-107.2129.3173.100000110.9F261 R442F261-G414 CarbonylContact O-C 3.57Å; F261-G414 WeakPolarHBondContact O-CA 3.47Å; G414-R442 PolarHBondContact N-O 3.26Å; G414-R442 PolarHBondContact O-N 3.22Å
415I88.9Confident62.8Low0 Ų057.1 Ų57.10%032%0.323CS..EExtended strand (participates in β ladder)trans-123.7107.9-173-50.5-173.7000109.4I260 F261 Y262 Y263 M273 F417 I439 I484 I488I260-I415 HydrophobicContact CG2-CD1 3.61Å; I260-I415 HydrophobicContact CG2-CG1 4.11Å; F261-I415 PolarHBondContact O-N 3.16Å; Y262-I415 CarbonylContact C-O 3.2Å; Y262-I415 WeakPolarHBondContact CA-O 3.41Å; Y262-I415 WeakPolarHBondContact CB-O 3.39Å; Y263-I415 PolarHBondContact N-O 2.97Å; M273-I415 HydrophobicContact CE-CB 4.44Å; M273-I415 HydrophobicContact CE-CD1 3.96Å; M273-I415 HydrophobicContact CE-CG2 4.04Å; M273-I415 HydrophobicContact SD-CD1 4.46Å; I415-F417 HydrophobicContact CG2-CE2 4.13Å; I415-F417 HydrophobicContact CG2-CZ 4.28Å; I415-I439 HydrophobicContact CG2-CG2 3.91Å; I415-I484 HydrophobicContact CD1-CD1 4.03Å; I415-I484 HydrophobicContact CD1-CG2 3.83Å; I415-I488 HydrophobicContact CD1-CD1 3.75Å; I415-I488 HydrophobicContact CG2-CD1 4.16Å
416L86.8Confident62Low9 Ų962.5 Ų62.55%0.04735%0.348CS..EExtended strand (participates in β ladder)trans-116.2108.5-173.4175.8132.5000109.7Y263 Q394 F397 N418 T440Y263-L416 HydrophobicContact CD1-CD1 3.51Å; Y263-L416 HydrophobicContact CD1-CG 3.97Å; Y263-L416 HydrophobicContact CE1-CD1 4.27Å; Y263-L416 HydrophobicContact CG-CD1 4.15Å; Y263-L416 WeakPolarHBondContact O-CA 3.37Å; Q394-L416 HydrophobicContact CG-CD1 3.78Å; F397-L416 HydrophobicContact CD1-CD1 4.06Å; F397-L416 HydrophobicContact CE1-CB 4.05Å; F397-L416 HydrophobicContact CE1-CD1 3.9Å; F397-L416 HydrophobicContact CZ-CB 4.04Å; L416-N418 WeakPolarHBondContact CD2-OD1 3.47Å; L416-T440 WeakPolarHBondContact CB-OG1 3.24Å; L416-T440 HydrophobicContact CD2-CG2 4.47Å; L416-T440 VanDerWaalsContact CD2-OG1 3.26Å; L416-T440 WeakPolarHBondContact CD2-OG1 3.38Å; L416-T440 PolarHBondContact N-O 3.16Å; L416-T440 PolarHBondContact O-N 3.28Å; L416-T440 PolarHBondContact O-OG1 3.35Å
417F85.4Confident61.3Low10 Ų1067.6 Ų67.64%0.04436%0.364CS..EExtended strand (participates in β ladder)trans-80.9119.5178.5-62.4-90.5000109.6Y263 T269 I272 M273 I415 T420 I438 I439Y263-F417 PolarHBondContact O-N 3.45Å; T269-F417 HydrophobicContact CG2-CD2 3.66Å; T269-F417 HydrophobicContact CG2-CE2 3.83Å; T269-F417 HydrophobicContact CG2-CG 4.05Å; T269-F417 HydrophobicContact CG2-CZ 4.34Å; I272-F417 HydrophobicContact CG2-CZ 4.31Å; M273-F417 HydrophobicContact CE-CE2 3.83Å; M273-F417 HydrophobicContact CE-CZ 3.63Å; I415-F417 HydrophobicContact CG2-CE2 4.13Å; I415-F417 HydrophobicContact CG2-CZ 4.28Å; F417-T420 HydrophobicContact CB-CG2 4.13Å; F417-I438 CarbonylContact C-O 3.45Å; F417-I438 WeakPolarHBondContact CA-O 3.46Å; F417-I439 HydrophobicContact CD1-CG1 3.92Å; F417-I439 HydrophobicContact CE1-CD1 4.45Å; F417-I439 HydrophobicContact CE1-CG1 4.03Å; F417-I439 HydrophobicContact CE1-CG2 4.47Å
418N69.2Low60.8Low57 Ų5770.9 Ų70.931%0.30538%0.38SS..EExtended strand (participates in β ladder)trans-101.1149.1176.5-74.6-24.3000110.6L416 T420 I438 T440L416-N418 WeakPolarHBondContact CD2-OD1 3.47Å; N418-T420 PolarHBondContact O-N 3.26Å; N418-I438 HydrophobicContact CB-CB 3.95Å; N418-I438 HydrophobicContact CB-CG2 3.97Å; N418-I438 PolarHBondContact N-O 3.08Å; N418-T440 WeakPolarHBondContact ND2-CG2 3.49Å
419N61.6Low60.6Low79 Ų7970.6 Ų70.642%0.42237%0.373SS..  trans63.229.1177.7-61.62.4000116.2I421N419-I421 PolarHBondContact O-N 3.36Å; N419-I421 VanDerWaalsContact O-N 3.12Å
420T53.5Low59.9Low39 Ų3975.9 Ų75.924%0.23940%0.403CS..  trans-78.387.8167.353.30000111F417 N418 F422F417-T420 HydrophobicContact CB-CG2 4.13Å; N418-T420 PolarHBondContact O-N 3.26Å; T420-F422 PolarHBondContact O-N 3.27Å
421I47Very low59.3Low140 Ų14077 Ų7772%0.71841%0.411SS*.  trans-77.670.9177.8-49.1177.5000110N419N419-I421 PolarHBondContact O-N 3.36Å; N419-I421 VanDerWaalsContact O-N 3.12Å
422F50.4Low58.3Low99 Ų9978.3 Ų78.343%0.43442%0.418SS..  trans-134.466.1-177.9-64.3-65.8000111.9T420 S424 I432T420-F422 PolarHBondContact O-N 3.27Å; F422-S424 PolarHBondContact O-N 2.92Å; F422-I432 HydrophobicContact CZ-CG1 4.41Å
423S40.5Very low57.1Low105 Ų10582.3 Ų82.373%0.73444%0.436SS*.  trans-74.496.5163.952.60000110.1N425S423-N425 PolarHBondContact O-N 3.21Å
424S41.2Very low55.7Low106 Ų10687.2 Ų87.274%0.74146%0.462SS*.SBendtrans35.576.1152.360.40000117.5F422F422-S424 PolarHBondContact O-N 2.92Å
425N39.6Very low54.4Low165 Ų16589.9 Ų89.988%0.88248%0.479SS*.  trans-162.4142.8149.1-101.7-32.5000111.1S423 H427S423-N425 PolarHBondContact O-N 3.21Å; N425-H427 PolarHBondContact O-N 3.07Å
426H43.2Very low53.4Low146 Ų14690.6 Ų90.668%0.67648%0.483SS*.SBendtrans-85.8-0.8-155.2-110.2-68.9000117.4Q267Q267-H426 PolarHBondContact OE1-CE1 3.04Å
427H40.2Very low53Low178 Ų17891.6 Ų91.682%0.82449%0.49SS*.  trans-122.116.2-152.2-86.7-65.7000118.9N425N425-H427 PolarHBondContact O-N 3.07Å
428Q41.7Very low52.8Low155 Ų15591.5 Ų91.572%0.72449%0.49SS*.  trans-131.973.5175.1-70.2-167.8-800114.1N430 S431Q428-N430 VanDerWaalsContact C-N 3.26Å; Q428-N430 PolarHBondContact O-N 3.1Å; Q428-S431 PolarHBondContact O-OG 3.22Å
429L46.7Very low53.6Low114 Ų11488.8 Ų88.860%0.59748%0.475SS*.G310 helixtrans-63.2-28.6168.6-90.8144.8000113.1S431 I432L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.38Å; L429-I432 HydrophobicContact CD2-CD1 3.98Å; L429-I432 WeakPolarHBondContact O-CB 3.41Å; L429-I432 WeakPolarHBondContact O-CD1 3.38Å; L429-I432 VanDerWaalsContact O-CG1 3.29Å; L429-I432 WeakPolarHBondContact O-CG1 3.3Å; L429-I432 PolarHBondContact O-N 2.65Å
430N46.2Very low54.9Low146 Ų14685.3 Ų85.378%0.78146%0.457SS*.G310 helixtrans-73.6-14.1-174.3-65.35.4000114.2Q428 I432Q428-N430 VanDerWaalsContact C-N 3.26Å; Q428-N430 PolarHBondContact O-N 3.1Å; N430-I432 VanDerWaalsContact C-N 3.29Å; N430-I432 PolarHBondContact O-N 3.34Å
431S47.5Very low56.5Low55 Ų5583.5 Ų83.539%0.38545%0.446SS..G310 helixtrans-77.3-13.9179.162.40000113.8Q428 L429 Q433Q428-S431 PolarHBondContact O-OG 3.22Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.38Å; S431-Q433 PolarHBondContact O-N 2.92Å; S431-Q433 VanDerWaalsContact O-N 3.15Å
432I49Very low58.3Low31 Ų3178.3 Ų78.316%0.15942%0.417CS..G310 helixtrans-61-25.5-174.6-65.5174.2000112.8F422 L429 N430 N434F422-I432 HydrophobicContact CZ-CG1 4.41Å; L429-I432 HydrophobicContact CD2-CD1 3.98Å; L429-I432 WeakPolarHBondContact O-CB 3.41Å; L429-I432 WeakPolarHBondContact O-CD1 3.38Å; L429-I432 VanDerWaalsContact O-CG1 3.29Å; L429-I432 WeakPolarHBondContact O-CG1 3.3Å; L429-I432 PolarHBondContact O-N 2.65Å; N430-I432 VanDerWaalsContact C-N 3.29Å; N430-I432 PolarHBondContact O-N 3.34Å; I432-N434 PolarHBondContact O-N 3.08Å; I432-N434 VanDerWaalsContact O-N 3.11Å
433Q51.5Low59.8Low95 Ų9573.8 Ų73.844%0.44440%0.397SS..G310 helixtrans-62.2-21.2-173.7-63.6-174.3-23.300114.6S431 Y1600 S1613S431-Q433 PolarHBondContact O-N 2.92Å; S431-Q433 VanDerWaalsContact O-N 3.15Å; Q433-Y1600 HydrophobicContact CG-CE1 4.07Å; Q433-S1613 WeakPolarHBondContact O-CB 3.4Å
434N53.1Low61.4Low102 Ų10269.6 Ų69.655%0.54537%0.367SS..G310 helixtrans-104.6-1.2-168.9-71.1-24.6000115.8I432I432-N434 PolarHBondContact O-N 3.08Å; I432-N434 VanDerWaalsContact O-N 3.11Å
435T59Low62.6Low57 Ų5765.3 Ų65.335%0.3534%0.336SS..  trans-120.5127-172.155.50000114.2
436S69.1Low63.9Low14 Ų1461.2 Ų61.210%0.09831%0.309CS..  trans-74.6128173.559.80000112.4S1614S436-S1614 CarbonylContact C-O 3.47Å; S436-S1614 VanDerWaalsContact CA-O 3.27Å; S436-S1614 WeakPolarHBondContact CA-O 3.45Å; S436-S1614 WeakPolarHBondContact CB-O 3.4Å
437T77.9Confident65.2Low30 Ų3055.5 Ų55.518%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-86.3124.1177.548.90000111S1614 I1616T437-S1614 PolarHBondContact N-O 3.18Å; T437-I1616 PolarHBondContact O-N 3.13Å
438I80Confident66.9Low9 Ų947 Ų475%0.04624%0.244CC..EExtended strand (participates in β ladder)trans-105.7120.4179.8-59.1173000109.1F417 N418 T440 I1616 I1618F417-I438 CarbonylContact C-O 3.45Å; F417-I438 WeakPolarHBondContact CA-O 3.46Å; N418-I438 HydrophobicContact CB-CB 3.95Å; N418-I438 HydrophobicContact CB-CG2 3.97Å; N418-I438 PolarHBondContact N-O 3.08Å; I438-T440 HydrophobicContact CG2-CG2 4.25Å; I438-I1616 HydrophobicContact CG1-CB 4.27Å; I438-I1616 HydrophobicContact CG1-CD1 4.02Å; I438-I1618 HydrophobicContact CG2-CD1 3.7Å; I438-I1618 HydrophobicContact CG2-CG1 4.29Å
439I87.5Confident68.3Low0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-118.1113.4-176.2-54.4162.3000108.2I415 F417 I441 I488 I492 I1615 I1616 F1617 I1618I415-I439 HydrophobicContact CG2-CG2 3.91Å; F417-I439 HydrophobicContact CD1-CG1 3.92Å; F417-I439 HydrophobicContact CE1-CD1 4.45Å; F417-I439 HydrophobicContact CE1-CG1 4.03Å; F417-I439 HydrophobicContact CE1-CG2 4.47Å; I439-I441 HydrophobicContact CG2-CG1 4.42Å; I439-I488 HydrophobicContact CD1-CG2 3.81Å; I439-I492 HydrophobicContact CD1-CD1 3.7Å; I439-I1615 HydrophobicContact CD1-CG2 3.66Å; I439-I1616 PolarHBondContact N-O 3.14Å; I439-F1617 HydrophobicContact CB-CD1 3.94Å; I439-F1617 HydrophobicContact CB-CE1 3.95Å; I439-F1617 HydrophobicContact CD1-CD1 4.41Å; I439-F1617 HydrophobicContact CD1-CE1 3.75Å; I439-F1617 HydrophobicContact CD1-CE2 4.14Å; I439-F1617 HydrophobicContact CD1-CZ 3.6Å; I439-F1617 HydrophobicContact CG1-CE1 4.49Å; I439-F1617 HydrophobicContact CG2-CD1 3.95Å; I439-F1617 HydrophobicContact CG2-CE1 3.75Å; I439-F1617 CarbonylContact O-C 3.59Å; I439-F1617 WeakPolarHBondContact O-CA 3.42Å; I439-I1618 PolarHBondContact O-N 3.39Å
440T87.4Confident69.3Low6 Ų637.7 Ų37.74%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-102.6121.4178.178.10000110L416 N418 I438 I1618L416-T440 WeakPolarHBondContact CB-OG1 3.24Å; L416-T440 HydrophobicContact CD2-CG2 4.47Å; L416-T440 VanDerWaalsContact CD2-OG1 3.26Å; L416-T440 WeakPolarHBondContact CD2-OG1 3.38Å; L416-T440 PolarHBondContact N-O 3.16Å; L416-T440 PolarHBondContact O-N 3.28Å; L416-T440 PolarHBondContact O-OG1 3.35Å; N418-T440 WeakPolarHBondContact ND2-CG2 3.49Å; I438-T440 HydrophobicContact CG2-CG2 4.25Å; T440-I1618 WeakPolarHBondContact CA-O 3.45Å; T440-I1618 HydrophobicContact CG2-CB 3.98Å; T440-I1618 HydrophobicContact CG2-CD1 4.1Å; T440-I1618 HydrophobicContact CG2-CG1 4.37Å; T440-I1618 HydrophobicContact CG2-CG2 4.47Å
441I88.4Confident70.6Confident0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-102.9126.4179.5-63.6174.6000108.4I439 Q443 F481 I484 F1617 I1618 H1620I439-I441 HydrophobicContact CG2-CG1 4.42Å; I441-Q443 HydrophobicContact CG2-CG 4.1Å; I441-F481 HydrophobicContact CB-CD2 4.46Å; I441-F481 HydrophobicContact CB-CE2 3.67Å; I441-F481 HydrophobicContact CB-CZ 4.24Å; I441-F481 HydrophobicContact CD1-CD2 4.45Å; I441-F481 HydrophobicContact CD1-CE1 4.44Å; I441-F481 HydrophobicContact CD1-CE2 3.87Å; I441-F481 HydrophobicContact CD1-CZ 3.82Å; I441-F481 HydrophobicContact CG1-CE2 4.36Å; I441-F481 HydrophobicContact CG2-CD2 3.8Å; I441-F481 HydrophobicContact CG2-CE2 3.5Å; I441-F481 VanDerWaalsContact CG2-CE2 3.5Å; I441-F481 HydrophobicContact CG2-CZ 4.45Å; I441-I484 HydrophobicContact CD1-CG2 4.32Å; I441-F1617 HydrophobicContact CD1-CD1 3.77Å; I441-F1617 HydrophobicContact CD1-CE1 4Å; I441-F1617 HydrophobicContact CG1-CD1 4.4Å; I441-I1618 PolarHBondContact N-O 3.34Å; I441-H1620 PolarHBondContact O-N 3.17Å
442R85.3Confident71.3Confident31 Ų3129.9 Ų29.912%0.11715%0.154CC..EExtended strand (participates in β ladder)trans-117.4111.3-178-48.7-166.982.1-170.98109.3N398 G414 H1620 L1622N398-R442 PolarHBondContact OD1-NH1 3.42Å; G414-R442 PolarHBondContact N-O 3.26Å; G414-R442 PolarHBondContact O-N 3.22Å; R442-H1620 WeakPolarHBondContact CA-O 3.49Å; R442-H1620 WeakPolarHBondContact CB-O 3.4Å; R442-H1620 HydrophobicContact CG-CB 4.37Å; R442-H1620 PolarHBondContact NH2-CE1 2.78Å; R442-H1620 PolarHBondContact NH2-NE2 2.75Å; R442-L1622 HydrophobicContact CB-CD2 4.31Å
443Q80.6Confident71.8Confident4 Ų431.8 Ų31.82%0.01916%0.164CC..  trans-121.4165.4177.8-70.6-173.12.200111Q413 I441 I448 P1621 L1622Q413-Q443 HydrophobicContact CG-CG 4.22Å; I441-Q443 HydrophobicContact CG2-CG 4.1Å; Q443-I448 HydrophobicContact CB-CB 4.22Å; Q443-I448 HydrophobicContact CB-CD1 4.31Å; Q443-I448 HydrophobicContact CB-CG2 4.03Å; Q443-I448 HydrophobicContact CG-CD1 4.45Å; Q443-P1621 WeakPolarHBondContact O-CA 3.42Å; Q443-L1622 WeakPolarHBondContact O-CG 3.44Å; Q443-L1622 PolarHBondContact O-N 3.39Å
444N73.8Confident72.4Confident18 Ų1828.9 Ų28.910%0.09615%0.149CC..  trans-67.3127.6171.3-174.5-38.1000110K405 Y446 I447 I448K405-N444 PolarHBondContact O-ND2 2.87Å; N444-Y446 PolarHBondContact O-N 3.03Å; N444-Y446 WeakPolarHBondContact OD1-CD2 3.24Å; N444-Y446 PolarHBondContact OD1-N 3.39Å; N444-Y446 VanDerWaalsContact OD1-N 3.14Å; N444-I447 HydrophobicContact CB-CD1 4.31Å; N444-I447 HydrophobicContact CB-CG1 4.21Å; N444-I447 PolarHBondContact O-N 2.93Å; N444-I448 PolarHBondContact O-N 3.33Å
445P67.4Low72.9Confident15 Ų1526.3 Ų26.310%0.09713%0.133CC..THydrogen-bonded Turntrans-60.8-10.4-176.923.2-34.5000115.4I448 K475 P1621 I1624P445-I448 CarbonylContact C-O 3.54Å; P445-K475 PolarHBondContact O-NZ 3.21Å; P445-P1621 HydrophobicContact CB-CB 4.33Å; P445-I1624 HydrophobicContact CB-CD1 4.21Å; P445-I1624 HydrophobicContact CB-CG1 3.98Å; P445-I1624 HydrophobicContact CG-CD1 4.23Å; P445-I1624 HydrophobicContact CG-CG1 3.47Å; P445-I1624 VanDerWaalsContact CG-CG1 3.47Å
446Y65.6Low73.3Confident79 Ų7924.1 Ų24.131%0.3112%0.12SC..THydrogen-bonded Turntrans-70.3-31.5166.7-79-65.9000113.6Q407 N444 K475 H1628 Y1823Q407-Y446 HydrophobicContact CG-CD2 4.09Å; Q407-Y446 HydrophobicContact CG-CE2 3.71Å; Q407-Y446 PolarHBondContact NE2-OH 2.71Å; N444-Y446 PolarHBondContact O-N 3.03Å; N444-Y446 WeakPolarHBondContact OD1-CD2 3.24Å; N444-Y446 PolarHBondContact OD1-N 3.39Å; N444-Y446 VanDerWaalsContact OD1-N 3.14Å; Y446-K475 VanDerWaalsContact O-CE 3.24Å; Y446-K475 WeakPolarHBondContact O-CE 3.28Å; Y446-H1628 HydrophobicContact CE2-CB 4.47Å; Y446-H1628 AromaticContact CE2-CD2 3.53Å; Y446-H1628 AromaticContact CE2-CG 3.99Å; Y446-H1628 AromaticContact CE2-NE2 3.86Å; Y446-H1628 AromaticContact CZ-CD2 3.83Å; Y446-H1628 AromaticContact CZ-CG 3.79Å; Y446-H1628 WeakPolarHBondContact OH-CB 3.33Å; Y446-H1628 PolarHBondContact OH-CD2 2.94Å; Y446-H1628 VanDerWaalsContact OH-CD2 3.32Å; Y446-H1628 PolarHBondContact OH-CE1 3.32Å; Y446-H1628 PolarHBondContact OH-ND1 3.24Å; Y446-Y1823 VanDerWaalsContact OH-CE1 3.27Å; Y446-Y1823 WeakPolarHBondContact OH-CE1 3.38Å; Y446-Y1823 PolarHBondContact OH-OH 3.28Å
447I72.1Confident73.2Confident27 Ų2725 Ų2514%0.13812%0.124CC..THydrogen-bonded Turntrans-100.4-13.9-173.3-25.4179.4000111.9I411 N444 K475 S479I411-I447 HydrophobicContact CG2-CD1 4.29Å; N444-I447 HydrophobicContact CB-CD1 4.31Å; N444-I447 HydrophobicContact CB-CG1 4.21Å; N444-I447 PolarHBondContact O-N 2.93Å; I447-K475 CarbonylContact O-C 3.5Å; I447-K475 VanDerWaalsContact O-CB 3.27Å; I447-K475 WeakPolarHBondContact O-CB 3.43Å; I447-S479 WeakPolarHBondContact O-CB 3.4Å
448I75.1Confident72.3Confident0 Ų025.7 Ų25.70%013%0.126CC..SBendtrans-126156.8176.9-159.8159.2000111.8Q443 N444 P445 K475 Y476 F481 N1619 P1621Q443-I448 HydrophobicContact CB-CB 4.22Å; Q443-I448 HydrophobicContact CB-CD1 4.31Å; Q443-I448 HydrophobicContact CB-CG2 4.03Å; Q443-I448 HydrophobicContact CG-CD1 4.45Å; N444-I448 PolarHBondContact O-N 3.33Å; P445-I448 CarbonylContact C-O 3.54Å; I448-K475 WeakPolarHBondContact O-CD 3.49Å; I448-K475 PolarHBondContact O-NZ 3.27Å; I448-Y476 HydrophobicContact CD1-CD1 4.31Å; I448-Y476 HydrophobicContact CD1-CE1 3.71Å; I448-Y476 HydrophobicContact CG1-CD1 4.12Å; I448-Y476 HydrophobicContact CG1-CE1 3.55Å; I448-F481 HydrophobicContact CD1-CD2 3.4Å; I448-F481 VanDerWaalsContact CD1-CD2 3.4Å; I448-F481 HydrophobicContact CD1-CE2 3.59Å; I448-F481 HydrophobicContact CD1-CG 4.33Å; I448-N1619 HydrophobicContact CD1-CB 4.47Å; I448-N1619 VanDerWaalsContact CD1-CG 3.49Å; I448-N1619 VanDerWaalsContact CD1-OD1 3.3Å; I448-N1619 WeakPolarHBondContact CD1-OD1 3.17Å; I448-P1621 HydrophobicContact CG2-CB 3.81Å
449D71.7Confident71.1Confident8 Ų827.8 Ų27.84%0.04314%0.135CC..  trans-71.2147.6177-81.6-31.6000112.2R466 Y476 Y1581 N1619D449-R466 IonicContact OD1-CZ 2.66Å; D449-R466 IonicContact OD1-NH1 3.48Å; D449-R466 IonicContact OD1-NH2 2.61Å; D449-R466 PolarHBondContact OD1-NH2 2.72Å; D449-R466 IonicContact OD2-CZ 3.55Å; D449-R466 IonicContact OD2-NH1 2.8Å; D449-R466 PolarHBondContact OD2-NH1 3.48Å; D449-R466 IonicContact OD2-NH2 3.59Å; D449-R466 PolarHBondContact OD2-NH2 2.72Å; D449-R466 VanDerWaalsContact OD2-NH2 3.17Å; D449-Y476 HydrophobicContact CB-CE2 3.77Å; D449-Y1581 HydrophobicContact CB-CD2 4.04Å; D449-N1619 PolarHBondContact O-ND2 3.21Å
450D67.9Low69.5Low65 Ų6531 Ų3135%0.34816%0.155SC..  trans-71.1135.3179.4-84.1-51.5000112.6N1335D450-N1335 PolarHBondContact OD1-ND2 3.04Å
451T72.8Confident68.2Low0 Ų032.3 Ų32.30%016%0.159CC..  trans-101.712.3-178.259.70000113.9N453 Y454 Q1336 M1338 N1619 P1621T451-N453 PolarHBondContact O-N 3.02Å; T451-Y454 PolarHBondContact O-N 3.34Å; T451-Y454 VanDerWaalsContact O-N 3.16Å; T451-Q1336 WeakPolarHBondContact CB-O 3.31Å; T451-Q1336 PolarHBondContact OG1-N 3.48Å; T451-Q1336 PolarHBondContact OG1-O 3.42Å; T451-M1338 HydrophobicContact CG2-CB 3.83Å; T451-M1338 HydrophobicContact CG2-CE 4.12Å; T451-M1338 HydrophobicContact CG2-SD 4.41Å; T451-N1619 HydrophobicContact CG2-CB 4.28Å; T451-N1619 WeakPolarHBondContact CG2-ND2 3.48Å; T451-P1621 HydrophobicContact CG2-CG 4Å; T451-P1621 VanDerWaalsContact OG1-CD 3.28Å; T451-P1621 WeakPolarHBondContact OG1-CD 3.28Å; T451-P1621 WeakPolarHBondContact OG1-CG 3.22Å
452N63Low67.3Low37 Ų3735.7 Ų35.720%0.19818%0.177CC..BIsolated β-bridgetrans-55.1119.6179.7-177.339.8000111.1Y454 K455 S1334N452-Y454 VanDerWaalsContact C-N 3.29Å; N452-Y454 PolarHBondContact O-N 2.75Å; N452-K455 PolarHBondContact O-N 3.28Å; N452-S1334 PolarHBondContact OD1-N 2.98Å; N452-S1334 PolarHBondContact OD1-O 2.97Å; N452-S1334 VanDerWaalsContact OD1-O 3.1Å
453N59.3Low66.4Low70 Ų7034.8 Ų34.837%0.37418%0.175SC..THydrogen-bonded Turntrans4745.9-175.4-62.6-14.1000113.8T451 K455 W688T451-N453 PolarHBondContact O-N 3.02Å; N453-K455 VanDerWaalsContact C-N 3.32Å; N453-K455 PolarHBondContact O-N 3.27Å; N453-W688 HydrophobicContact CB-CH2 3.71Å; N453-W688 HydrophobicContact CB-CZ3 3.97Å; N453-W688 VanDerWaalsContact ND2-CH2 3.28Å; N453-W688 WeakPolarHBondContact ND2-CH2 3.44Å; N453-W688 VanDerWaalsContact ND2-CZ3 3.35Å; N453-W688 WeakPolarHBondContact ND2-CZ3 3.41Å
454Y63.3Low66.2Low34 Ų3436.9 Ų36.913%0.13318%0.184CC..THydrogen-bonded Turntrans53.641.4173.5-56.3-80000114.2T451 N452 V456 P1337 M1338 N1414 Y1417T451-Y454 PolarHBondContact O-N 3.34Å; T451-Y454 VanDerWaalsContact O-N 3.16Å; N452-Y454 VanDerWaalsContact C-N 3.29Å; N452-Y454 PolarHBondContact O-N 2.75Å; Y454-V456 VanDerWaalsContact C-N 3.32Å; Y454-V456 WeakPolarHBondContact O-CG2 3.42Å; Y454-V456 PolarHBondContact O-N 3.36Å; Y454-P1337 VanDerWaalsContact CE1-O 3.24Å; Y454-P1337 WeakPolarHBondContact CE1-O 3.36Å; Y454-M1338 HydrophobicContact CD1-CB 4.22Å; Y454-M1338 HydrophobicContact CD1-CG 4.02Å; Y454-M1338 HydrophobicContact CE1-CB 4.48Å; Y454-N1414 PolarHBondContact OH-ND2 3.21Å; Y454-Y1417 WeakPolarHBondContact CD1-OH 3.39Å; Y454-Y1417 HydrophobicContact CE1-CE2 4.28Å; Y454-Y1417 VanDerWaalsContact CE1-OH 3.31Å; Y454-Y1417 WeakPolarHBondContact CE1-OH 3.35Å; Y454-Y1417 VanDerWaalsContact CG-OH 3.31Å
455K64.2Low66.3Low48 Ų4836.4 Ų36.421%0.20918%0.182CC..  trans-68.784.2177.6-166.7-152.3170.7-1680112N452 N453 L457 D458 Y1581N452-K455 PolarHBondContact O-N 3.28Å; N453-K455 VanDerWaalsContact C-N 3.32Å; N453-K455 PolarHBondContact O-N 3.27Å; K455-L457 WeakPolarHBondContact CE-O 3.49Å; K455-D458 IonicContact NZ-OD1 2.71Å; K455-D458 PolarHBondContact NZ-OD1 3.13Å; K455-Y1581 HydrophobicContact CD-CE2 3.92Å; K455-Y1581 PolarHBondContact NZ-OH 2.71Å
456V68.2Low66.9Low11 Ų1136.5 Ų36.57%0.06718%0.181CC..  trans-81.7-22.7179-1450000113.1Y454 M1338 L1344 M1345 G1580 Y1581 V1582Y454-V456 VanDerWaalsContact C-N 3.32Å; Y454-V456 WeakPolarHBondContact O-CG2 3.42Å; Y454-V456 PolarHBondContact O-N 3.36Å; V456-M1338 HydrophobicContact CG2-SD 4.41Å; V456-L1344 HydrophobicContact CG1-CD2 4.39Å; V456-L1344 HydrophobicContact CG2-CD2 3.82Å; V456-L1344 HydrophobicContact CG2-CG 3.94Å; V456-L1344 WeakPolarHBondContact CG2-O 3.42Å; V456-M1345 HydrophobicContact CB-CG 4.31Å; V456-M1345 HydrophobicContact CG1-CG 3.48Å; V456-M1345 VanDerWaalsContact CG1-CG 3.48Å; V456-G1580 CarbonylContact O-C 3.6Å; V456-Y1581 WeakPolarHBondContact O-CB 3.4Å; V456-Y1581 PolarHBondContact O-N 2.68Å; V456-V1582 HydrophobicContact CG1-CG2 3.41Å; V456-V1582 VanDerWaalsContact CG1-CG2 3.41Å
457L65.8Low67.8Low34 Ų3433.5 Ų33.518%0.17817%0.17CC..BIsolated β-bridgetrans-133.3155.7-168.3-57.4-179.3000112.6K455 H459 M1345 Y1504K455-L457 WeakPolarHBondContact CE-O 3.49Å; L457-H459 PolarHBondContact O-N 3.28Å; L457-M1345 HydrophobicContact CD2-CB 4.13Å; L457-M1345 HydrophobicContact CD2-CG 4.02Å; L457-Y1504 WeakPolarHBondContact CD1-OH 3.45Å; L457-Y1504 HydrophobicContact CD2-CD1 4.28Å; L457-Y1504 HydrophobicContact CD2-CE1 3.46Å; L457-Y1504 VanDerWaalsContact CD2-CE1 3.46Å; L457-Y1504 HydrophobicContact CD2-CE2 4.1Å; L457-Y1504 VanDerWaalsContact CD2-OH 3.28Å; L457-Y1504 WeakPolarHBondContact CD2-OH 3.14Å
458D59Low68.1Low43 Ų4334.6 Ų34.623%0.2318%0.176CC..  trans-79.8106.4164.1-86.9-40000112.7K455 T460 Y1581K455-D458 IonicContact NZ-OD1 2.71Å; K455-D458 PolarHBondContact NZ-OD1 3.13Å; D458-T460 PolarHBondContact O-N 3.39Å; D458-T460 VanDerWaalsContact O-N 3.1Å; D458-Y1581 VanDerWaalsContact CG-OH 3.32Å; D458-Y1581 PolarHBondContact OD1-OH 3.26Å; D458-Y1581 VanDerWaalsContact OD2-CE1 3.32Å; D458-Y1581 WeakPolarHBondContact OD2-CE1 3.42Å; D458-Y1581 PolarHBondContact OD2-OH 3.35Å
459H54Low68Low54 Ų5434.8 Ų34.825%0.2518%0.177CC..SBendtrans-57.7-25.3177.5-31.6-104.9000113.6L457 K687 R714 D734L457-H459 PolarHBondContact O-N 3.28Å; H459-K687 WeakPolarHBondContact CD2-CE 3.49Å; H459-K687 PolarHBondContact CD2-NZ 2.84Å; H459-K687 PolarHBondContact NE2-NZ 3.19Å; H459-K687 VanDerWaalsContact NE2-NZ 3.19Å; H459-R714 PolarHBondContact O-NH2 3.18Å; H459-D734 WeakPolarHBondContact CA-OD2 3.34Å
460T54.2Low67.7Low66 Ų6638.5 Ų38.541%0.40520%0.197SC..SBendtrans-105.489.3170.150.70000108.6D458 N462D458-T460 PolarHBondContact O-N 3.39Å; D458-T460 VanDerWaalsContact O-N 3.1Å; T460-N462 PolarHBondContact O-N 2.79Å; T460-N462 VanDerWaalsContact O-N 3.11Å
461W60.7Low67.5Low35 Ų3540.2 Ų40.213%0.13321%0.206CC..  trans-54.4118.5172.7-176.791.1000109.5P463 Q718 L732 I1500W461-P463 HydrophobicContact CH2-CB 3.96Å; W461-P463 HydrophobicContact CZ3-CB 3.99Å; W461-P463 HydrophobicContact CZ3-CG 4.46Å; W461-Q718 HydrophobicContact CE3-CB 4.22Å; W461-Q718 HydrophobicContact CE3-CG 4.17Å; W461-Q718 HydrophobicContact CZ3-CB 4.25Å; W461-Q718 WeakPolarHBondContact O-CG 3.39Å; W461-Q718 PolarHBondContact O-NE2 3.08Å; W461-L732 HydrophobicContact CB-CD2 4.32Å; W461-I1500 HydrophobicContact CH2-CD1 4.43Å; W461-I1500 HydrophobicContact CZ2-CD1 4.16Å
462N68.6Low67.2Low71 Ų7141 Ų4138%0.3821%0.214SC..  trans-100.6135.9170.6-175.5-16.8000107T460 K464 K1579T460-N462 PolarHBondContact O-N 2.79Å; T460-N462 VanDerWaalsContact O-N 3.11Å; N462-K464 VanDerWaalsContact C-N 3.25Å; N462-K464 PolarHBondContact O-N 3.18Å; N462-K464 VanDerWaalsContact OD1-CB 3.3Å; N462-K464 WeakPolarHBondContact OD1-CB 3.4Å; N462-K464 PolarHBondContact OD1-N 3.06Å; N462-K1579 PolarHBondContact O-NZ 3.23Å
463P67.6Low67.6Low11 Ų1140.2 Ų40.27%0.07121%0.21CC..SBendtrans-58.1-36.217220.9-32.7000112.8W461 Y545 K1579W461-P463 HydrophobicContact CH2-CB 3.96Å; W461-P463 HydrophobicContact CZ3-CB 3.99Å; W461-P463 HydrophobicContact CZ3-CG 4.46Å; P463-Y545 HydrophobicContact CB-CD2 4.05Å; P463-Y545 HydrophobicContact CB-CG 3.97Å; P463-Y545 HydrophobicContact CG-CD2 4.23Å; P463-K1579 PolarHBondContact O-NZ 3.46Å
464K75.8Confident68.5Low49 Ų4937 Ų3721%0.21319%0.193CC..SBendtrans-45.1134.9177.2-172-151172.1-161.20111.7N462 D471 D473 Y545 K1579N462-K464 VanDerWaalsContact C-N 3.25Å; N462-K464 PolarHBondContact O-N 3.18Å; N462-K464 VanDerWaalsContact OD1-CB 3.3Å; N462-K464 WeakPolarHBondContact OD1-CB 3.4Å; N462-K464 PolarHBondContact OD1-N 3.06Å; K464-D471 IonicContact NZ-OD2 3.83Å; K464-D471 PolarHBondContact NZ-OD2 3.25Å; K464-D473 IonicContact NZ-OD2 3.91Å; K464-D473 PolarHBondContact NZ-OD2 3.45Å; K464-Y545 HydrophobicContact CB-CE2 4.32Å; K464-K1579 WeakPolarHBondContact O-CE 3.48Å; K464-K1579 PolarHBondContact O-NZ 3.17Å
465P76.1Confident69.4Low8 Ų837 Ų375%0.05219%0.194CC..  trans-60.3140.8167.525.4-33000110.6C70 N467 T542 Y545C70-P465 HydrophobicContact CB-CG 4.36Å; P465-N467 VanDerWaalsContact C-N 3.26Å; P465-N467 PolarHBondContact O-N 3.12Å; P465-N467 PolarHBondContact O-OD1 3.21Å; P465-T542 HydrophobicContact CB-CG2 4.03Å; P465-Y545 WeakPolarHBondContact CD-OH 3.22Å
466R80.9Confident70.4Confident16 Ų1634.9 Ų34.96%0.0618%0.184CC..SBendtrans-82.971.2176.4-165.5-177.8173.9-134.3-0.7109.2D449 G472 D473 N1578 K1579 Y1581D449-R466 IonicContact OD1-CZ 2.66Å; D449-R466 IonicContact OD1-NH1 3.48Å; D449-R466 IonicContact OD1-NH2 2.61Å; D449-R466 PolarHBondContact OD1-NH2 2.72Å; D449-R466 IonicContact OD2-CZ 3.55Å; D449-R466 IonicContact OD2-NH1 2.8Å; D449-R466 PolarHBondContact OD2-NH1 3.48Å; D449-R466 IonicContact OD2-NH2 3.59Å; D449-R466 PolarHBondContact OD2-NH2 2.72Å; D449-R466 VanDerWaalsContact OD2-NH2 3.17Å; R466-G472 PolarHBondContact NH2-O 3.06Å; R466-D473 HydrophobicContact CG-CB 3.59Å; R466-D473 WeakPolarHBondContact CG-OD1 3.32Å; R466-D473 VanDerWaalsContact CZ-O 3.25Å; R466-D473 PolarHBondContact NE-O 2.67Å; R466-D473 IonicContact NE-OD1 3.83Å; R466-D473 PolarHBondContact NE-OD1 2.74Å; R466-D473 VanDerWaalsContact NE-OD1 3.16Å; R466-D473 PolarHBondContact NH1-O 2.73Å; R466-N1578 HydrophobicContact CB-CB 4.36Å; R466-N1578 WeakPolarHBondContact CD-O 3.29Å; R466-N1578 PolarHBondContact O-ND2 3.48Å; R466-K1579 HydrophobicContact CB-CG 4.18Å; R466-Y1581 VanDerWaalsContact NH1-CD1 3.25Å
467N82.7Confident71.1Confident17 Ų1734.7 Ų34.79%0.09118%0.183CC..  trans-125.7-5.4-173.468.5-23.7000115.3Y95 P465 V469 T474 F539Y95-N467 PolarHBondContact O-ND2 2.71Å; P465-N467 VanDerWaalsContact C-N 3.26Å; P465-N467 PolarHBondContact O-N 3.12Å; P465-N467 PolarHBondContact O-OD1 3.21Å; N467-V469 PolarHBondContact O-N 3.16Å; N467-V469 VanDerWaalsContact O-N 3.17Å; N467-T474 WeakPolarHBondContact O-CG2 3.01Å; N467-F539 HydrophobicContact CB-CE1 4.35Å
468N79.4Confident71.8Confident49 Ų4933.8 Ų33.826%0.26218%0.179SC..  trans-79.3106.7-174.5-175.39.6000112.3N470 D471 D473N468-N470 PolarHBondContact O-N 3.04Å; N468-N470 VanDerWaalsContact O-N 3.14Å; N468-N470 PolarHBondContact OD1-N 3.18Å; N468-N470 VanDerWaalsContact OD1-N 3.17Å; N468-D471 HydrophobicContact CB-CB 4.11Å; N468-D471 VanDerWaalsContact CB-OD2 3.26Å; N468-D471 WeakPolarHBondContact CB-OD2 3.48Å; N468-D471 PolarHBondContact ND2-OD1 2.86Å; N468-D471 PolarHBondContact ND2-OD2 2.83Å; N468-D471 PolarHBondContact O-N 3.4Å; N468-D473 PolarHBondContact N-OD2 3.18Å; N468-D473 WeakPolarHBondContact O-CB 3.44Å; N468-D473 PolarHBondContact O-N 3.18Å
469V73.7Confident72.8Confident5 Ų531.8 Ų31.83%0.0317%0.168CC..G310 helixtrans-53.5-35.2179.5-179.80000112.9F93 Y95 H247 Y248 N467 G472 T474 T478F93-V469 WeakPolarHBondContact O-CG2 3.35Å; Y95-V469 HydrophobicContact CD2-CG2 3.57Å; Y95-V469 HydrophobicContact CE2-CG2 3.82Å; H247-V469 HydrophobicContact CB-CG1 3.66Å; H247-V469 WeakPolarHBondContact O-CG1 3.31Å; Y248-V469 HydrophobicContact CD1-CB 3.92Å; Y248-V469 HydrophobicContact CD1-CG1 3.53Å; Y248-V469 HydrophobicContact CD1-CG2 4.3Å; Y248-V469 HydrophobicContact CE1-CB 3.82Å; Y248-V469 HydrophobicContact CE1-CG1 3.83Å; Y248-V469 HydrophobicContact CE1-CG2 4.44Å; N467-V469 PolarHBondContact O-N 3.16Å; N467-V469 VanDerWaalsContact O-N 3.17Å; V469-G472 PolarHBondContact O-N 3.11Å; V469-T474 WeakPolarHBondContact CG2-OG1 3.48Å; V469-T478 HydrophobicContact CG1-CG2 4.18Å
470N65.2Low74.2Confident85 Ų8529.2 Ų29.246%0.45516%0.156SC..G310 helixtrans-74.8-29.8180-62.2-41.3000113.5Y248 N468 G472Y248-N470 PolarHBondContact OH-ND2 3.41Å; Y248-N470 PolarHBondContact OH-OD1 3Å; N468-N470 PolarHBondContact O-N 3.04Å; N468-N470 VanDerWaalsContact O-N 3.14Å; N468-N470 PolarHBondContact OD1-N 3.18Å; N468-N470 VanDerWaalsContact OD1-N 3.17Å; N470-G472 PolarHBondContact O-N 2.75Å
471D64.3Low75.8Confident101 Ų10126 Ų2654%0.5414%0.137SC..G310 helixtrans-74-7174.7-62.7-19.7000111.3K464 N468K464-D471 IonicContact NZ-OD2 3.83Å; K464-D471 PolarHBondContact NZ-OD2 3.25Å; N468-D471 HydrophobicContact CB-CB 4.11Å; N468-D471 VanDerWaalsContact CB-OD2 3.26Å; N468-D471 WeakPolarHBondContact CB-OD2 3.48Å; N468-D471 PolarHBondContact ND2-OD1 2.86Å; N468-D471 PolarHBondContact ND2-OD2 2.83Å; N468-D471 PolarHBondContact O-N 3.4Å
472G65.8Low77.1Confident16 Ų1624.5 Ų24.517%0.16513%0.131CC..THydrogen-bonded Turntrans76.622.9-171.300000113.1R466 V469 N470 K475R466-G472 PolarHBondContact NH2-O 3.06Å; V469-G472 PolarHBondContact O-N 3.11Å; N470-G472 PolarHBondContact O-N 2.75Å; G472-K475 WeakPolarHBondContact O-CG 3.02Å
473D70.2Confident78Confident22 Ų2221.2 Ų21.212%0.11811%0.113CC..THydrogen-bonded Turntrans-70.4-31.7-174.9-85.7-19.2000113.9K464 R466 N468 N1578K464-D473 IonicContact NZ-OD2 3.91Å; K464-D473 PolarHBondContact NZ-OD2 3.45Å; R466-D473 HydrophobicContact CG-CB 3.59Å; R466-D473 WeakPolarHBondContact CG-OD1 3.32Å; R466-D473 VanDerWaalsContact CZ-O 3.25Å; R466-D473 PolarHBondContact NE-O 2.67Å; R466-D473 IonicContact NE-OD1 3.83Å; R466-D473 PolarHBondContact NE-OD1 2.74Å; R466-D473 VanDerWaalsContact NE-OD1 3.16Å; R466-D473 PolarHBondContact NH1-O 2.73Å; N468-D473 PolarHBondContact N-OD2 3.18Å; N468-D473 WeakPolarHBondContact O-CB 3.44Å; N468-D473 PolarHBondContact O-N 3.18Å; D473-N1578 PolarHBondContact O-ND2 3.37Å
474T78.8Confident79Confident1 Ų120.7 Ų20.71%0.00611%0.11CC..THydrogen-bonded Turntrans-112.724.9-165.852.60000113.5Y95 N467 V469 Y476 L477 T478 F539Y95-T474 HydrophobicContact CD2-CG2 3.66Å; Y95-T474 HydrophobicContact CE2-CG2 4.06Å; Y95-T474 HydrophobicContact CG-CG2 4.44Å; N467-T474 WeakPolarHBondContact O-CG2 3.01Å; V469-T474 WeakPolarHBondContact CG2-OG1 3.48Å; T474-Y476 PolarHBondContact O-N 3.02Å; T474-L477 HydrophobicContact CG2-CD1 4.11Å; T474-L477 WeakPolarHBondContact O-CA 3.45Å; T474-L477 VanDerWaalsContact O-CB 3.3Å; T474-L477 WeakPolarHBondContact O-CB 3.49Å; T474-L477 PolarHBondContact O-N 2.84Å; T474-T478 PolarHBondContact O-N 2.95Å; T474-T478 PolarHBondContact O-OG1 3.41Å; T474-F539 HydrophobicContact CG2-CZ 4.1Å
475K82Confident79.7Confident35 Ų3518.4 Ų18.415%0.15210%0.1CC..Hα-helixtrans-48.6-46.9-174.2-81.4-175.3-171.8-176.20115.6P445 Y446 I447 I448 G472 L477 T478 S479P445-K475 PolarHBondContact O-NZ 3.21Å; Y446-K475 VanDerWaalsContact O-CE 3.24Å; Y446-K475 WeakPolarHBondContact O-CE 3.28Å; I447-K475 CarbonylContact O-C 3.5Å; I447-K475 VanDerWaalsContact O-CB 3.27Å; I447-K475 WeakPolarHBondContact O-CB 3.43Å; I448-K475 WeakPolarHBondContact O-CD 3.49Å; I448-K475 PolarHBondContact O-NZ 3.27Å; G472-K475 WeakPolarHBondContact O-CG 3.02Å; K475-L477 PolarHBondContact O-N 3.36Å; K475-T478 PolarHBondContact O-N 3.48Å; K475-S479 WeakPolarHBondContact O-CB 3.11Å; K475-S479 PolarHBondContact O-N 2.61Å; K475-S479 PolarHBondContact O-OG 3.09Å
476Y84.6Confident80.4Confident4 Ų418 Ų182%0.01610%0.098CC..Hα-helixtrans-63.1-25.7177.3-70.2-79.6000113.6I448 D449 T474 S479 F481 L482 Y1581 V1582 P1585 N1619I448-Y476 HydrophobicContact CD1-CD1 4.31Å; I448-Y476 HydrophobicContact CD1-CE1 3.71Å; I448-Y476 HydrophobicContact CG1-CD1 4.12Å; I448-Y476 HydrophobicContact CG1-CE1 3.55Å; D449-Y476 HydrophobicContact CB-CE2 3.77Å; T474-Y476 PolarHBondContact O-N 3.02Å; Y476-S479 PolarHBondContact O-OG 3.01Å; Y476-F481 HydrophobicContact CD1-CB 4.23Å; Y476-F481 AromaticContact CD1-CD1 3.78Å; Y476-F481 HydrophobicContact CD1-CD1 3.78Å; Y476-F481 HydrophobicContact CD1-CD2 4.33Å; Y476-F481 HydrophobicContact CD1-CE1 4.26Å; Y476-F481 AromaticContact CD1-CG 3.85Å; Y476-F481 HydrophobicContact CD1-CG 3.85Å; Y476-F481 HydrophobicContact CE1-CD1 4.33Å; Y476-F481 HydrophobicContact CE1-CD2 4.44Å; Y476-F481 HydrophobicContact CE1-CE1 4.41Å; Y476-F481 HydrophobicContact CE1-CE2 4.48Å; Y476-F481 HydrophobicContact CE1-CG 4.37Å; Y476-L482 WeakPolarHBondContact O-CD1 3.28Å; Y476-L482 WeakPolarHBondContact O-CG 3.41Å; Y476-Y1581 WeakPolarHBondContact CD2-O 3.19Å; Y476-Y1581 WeakPolarHBondContact CE2-O 3.43Å; Y476-V1582 HydrophobicContact CE1-CG1 4.14Å; Y476-V1582 HydrophobicContact CE2-CG1 3.95Å; Y476-V1582 WeakPolarHBondContact OH-CG1 3.07Å; Y476-P1585 HydrophobicContact CD1-CG 4.01Å; Y476-P1585 HydrophobicContact CE1-CG 4.29Å; Y476-P1585 HydrophobicContact CG-CG 4.2Å; Y476-N1619 PolarHBondContact OH-ND2 2.86Å
477L83.4Confident80.8Confident7 Ų717.8 Ų17.84%0.03710%0.098CC..Hα-helixtrans-85.2-38.9178.1-55.3156.4000110.8I75 Y95 R251 T474 K475 L482 F539 F1576I75-L477 HydrophobicContact CD1-CD1 4.37Å; I75-L477 HydrophobicContact CD1-CD2 3.87Å; Y95-L477 HydrophobicContact CE2-CB 4.41Å; Y95-L477 WeakPolarHBondContact OH-CB 3.26Å; R251-L477 WeakPolarHBondContact CD-O 3.29Å; R251-L477 WeakPolarHBondContact CG-O 3.45Å; T474-L477 HydrophobicContact CG2-CD1 4.11Å; T474-L477 WeakPolarHBondContact O-CA 3.45Å; T474-L477 VanDerWaalsContact O-CB 3.3Å; T474-L477 WeakPolarHBondContact O-CB 3.49Å; T474-L477 PolarHBondContact O-N 2.84Å; K475-L477 PolarHBondContact O-N 3.36Å; L477-L482 HydrophobicContact CD2-CD1 3.53Å; L477-L482 HydrophobicContact CG-CD1 4.21Å; L477-F539 HydrophobicContact CD1-CE2 3.79Å; L477-F539 HydrophobicContact CD1-CZ 3.48Å; L477-F539 VanDerWaalsContact CD1-CZ 3.48Å; L477-F1576 HydrophobicContact CD1-CE2 4.31Å; L477-F1576 HydrophobicContact CD1-CZ 4.03Å; L477-F1576 HydrophobicContact CD2-CE2 4.47Å; L477-F1576 HydrophobicContact CD2-CZ 3.84Å; L477-F1576 HydrophobicContact CG-CZ 4.5Å
478T80.9Confident81.1Confident15 Ų1517 Ų179%0.0929%0.093CC..Hα-helixtrans-85.6-22.2-178.157.70000114.6Y95 G250 R251 V469 T474 K475 G480Y95-T478 HydrophobicContact CE2-CG2 3.83Å; G250-T478 CarbonylContact C-O 3.54Å; G250-T478 WeakPolarHBondContact CA-O 3.46Å; R251-T478 PolarHBondContact N-O 2.93Å; V469-T478 HydrophobicContact CG1-CG2 4.18Å; T474-T478 PolarHBondContact O-N 2.95Å; T474-T478 PolarHBondContact O-OG1 3.41Å; K475-T478 PolarHBondContact O-N 3.48Å; T478-G480 PolarHBondContact O-N 3.33Å
479S79.5Confident81.5Confident0 Ų014.7 Ų14.70%08%0.081CC..SBendtrans-72.6-21.8-177.850.30000116.2I447 K475 Y476 F481I447-S479 WeakPolarHBondContact O-CB 3.4Å; K475-S479 WeakPolarHBondContact O-CB 3.11Å; K475-S479 PolarHBondContact O-N 2.61Å; K475-S479 PolarHBondContact O-OG 3.09Å; Y476-S479 PolarHBondContact O-OG 3.01Å; S479-F481 VanDerWaalsContact C-N 3.3Å; S479-F481 VanDerWaalsContact OG-CB 3.26Å; S479-F481 WeakPolarHBondContact OG-CB 3.47Å; S479-F481 PolarHBondContact OG-N 2.91Å; S479-F481 VanDerWaalsContact OG-N 3.1Å
480G82.9Confident82.1Confident0 Ų014.9 Ų14.90%08%0.082CC..SBendtrans77.311.7-16200000114.2T478 D483 I484T478-G480 PolarHBondContact O-N 3.33Å; G480-D483 WeakPolarHBondContact CA-OD2 3.16Å; G480-D483 PolarHBondContact O-N 3.41Å; G480-I484 PolarHBondContact O-N 2.83Å; G480-I484 VanDerWaalsContact O-N 3.13Å
481F88.3Confident83Confident0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-59.3-50.6174.7-175.6-80.7000111.6I441 I448 Y476 S479 D483 I484 Q485 I1340 P1585I441-F481 HydrophobicContact CB-CD2 4.46Å; I441-F481 HydrophobicContact CB-CE2 3.67Å; I441-F481 HydrophobicContact CB-CZ 4.24Å; I441-F481 HydrophobicContact CD1-CD2 4.45Å; I441-F481 HydrophobicContact CD1-CE1 4.44Å; I441-F481 HydrophobicContact CD1-CE2 3.87Å; I441-F481 HydrophobicContact CD1-CZ 3.82Å; I441-F481 HydrophobicContact CG1-CE2 4.36Å; I441-F481 HydrophobicContact CG2-CD2 3.8Å; I441-F481 HydrophobicContact CG2-CE2 3.5Å; I441-F481 VanDerWaalsContact CG2-CE2 3.5Å; I441-F481 HydrophobicContact CG2-CZ 4.45Å; I448-F481 HydrophobicContact CD1-CD2 3.4Å; I448-F481 VanDerWaalsContact CD1-CD2 3.4Å; I448-F481 HydrophobicContact CD1-CE2 3.59Å; I448-F481 HydrophobicContact CD1-CG 4.33Å; Y476-F481 HydrophobicContact CD1-CB 4.23Å; Y476-F481 AromaticContact CD1-CD1 3.78Å; Y476-F481 HydrophobicContact CD1-CD1 3.78Å; Y476-F481 HydrophobicContact CD1-CD2 4.33Å; Y476-F481 HydrophobicContact CD1-CE1 4.26Å; Y476-F481 AromaticContact CD1-CG 3.85Å; Y476-F481 HydrophobicContact CD1-CG 3.85Å; Y476-F481 HydrophobicContact CE1-CD1 4.33Å; Y476-F481 HydrophobicContact CE1-CD2 4.44Å; Y476-F481 HydrophobicContact CE1-CE1 4.41Å; Y476-F481 HydrophobicContact CE1-CE2 4.48Å; Y476-F481 HydrophobicContact CE1-CG 4.37Å; S479-F481 VanDerWaalsContact C-N 3.3Å; S479-F481 VanDerWaalsContact OG-CB 3.26Å; S479-F481 WeakPolarHBondContact OG-CB 3.47Å; S479-F481 PolarHBondContact OG-N 2.91Å; S479-F481 VanDerWaalsContact OG-N 3.1Å; F481-D483 VanDerWaalsContact C-N 3.27Å; F481-D483 PolarHBondContact O-N 3.47Å; F481-I484 PolarHBondContact O-N 2.95Å; F481-Q485 WeakPolarHBondContact O-CB 3.32Å; F481-Q485 PolarHBondContact O-N 2.88Å; F481-I1340 HydrophobicContact CE1-CD1 3.7Å; F481-I1340 HydrophobicContact CE2-CD1 4.46Å; F481-I1340 HydrophobicContact CZ-CD1 3.35Å; F481-P1585 HydrophobicContact CD1-CB 4.31Å; F481-P1585 HydrophobicContact CE1-CB 3.98Å
482L88.4Confident83.9Confident3 Ų36.4 Ų6.42%0.0164%0.037CC..Hα-helixtrans-65.2-31.6-180-70.2168.4000112.7L77 Y476 L477 Q485 D486 M537 P1585 L1588L77-L482 HydrophobicContact CD2-CB 4.1Å; Y476-L482 WeakPolarHBondContact O-CD1 3.28Å; Y476-L482 WeakPolarHBondContact O-CG 3.41Å; L477-L482 HydrophobicContact CD2-CD1 3.53Å; L477-L482 HydrophobicContact CG-CD1 4.21Å; L482-Q485 PolarHBondContact O-N 3Å; L482-D486 PolarHBondContact O-N 3.09Å; L482-M537 HydrophobicContact CD1-CE 4.44Å; L482-M537 HydrophobicContact CD2-CE 4.02Å; L482-P1585 HydrophobicContact CD2-CB 3.63Å; L482-P1585 HydrophobicContact CD2-CG 4.35Å; L482-L1588 HydrophobicContact CD2-CD2 3.74Å
483D88.3Confident84.6Confident1 Ų15.8 Ų5.81%0.0053%0.03CC..Hα-helixtrans-68.9-45.7178.8-58.7-46.8000110.5P78 R251 G480 F481 L487P78-D483 WeakPolarHBondContact CD-OD1 3.09Å; P78-D483 HydrophobicContact CG-CB 4.05Å; R251-D483 IonicContact CZ-OD1 2.71Å; R251-D483 IonicContact CZ-OD2 2.89Å; R251-D483 IonicContact NE-OD1 3.17Å; R251-D483 IonicContact NE-OD2 2.84Å; R251-D483 PolarHBondContact NE-OD2 2.93Å; R251-D483 IonicContact NH2-OD1 2.7Å; R251-D483 PolarHBondContact NH2-OD1 3.48Å; R251-D483 IonicContact NH2-OD2 3.59Å; G480-D483 WeakPolarHBondContact CA-OD2 3.16Å; G480-D483 PolarHBondContact O-N 3.41Å; F481-D483 VanDerWaalsContact C-N 3.27Å; F481-D483 PolarHBondContact O-N 3.47Å; D483-L487 WeakPolarHBondContact O-CB 3.12Å; D483-L487 WeakPolarHBondContact O-CD1 3.48Å; D483-L487 VanDerWaalsContact O-CG 3.29Å; D483-L487 WeakPolarHBondContact O-CG 3.25Å; D483-L487 PolarHBondContact O-N 2.98Å; D483-L487 VanDerWaalsContact O-N 3.16Å
484I87.7Confident85Confident1 Ų15.6 Ų5.61%0.0053%0.028CC..Hα-helixtrans-61.5-44.8169.7-71.2-152.7000111.5F254 I260 Q413 I415 I441 G480 F481 D486 L487 I488F254-I484 HydrophobicContact CE1-CG1 3.95Å; F254-I484 HydrophobicContact CE2-CD1 3.99Å; F254-I484 HydrophobicContact CE2-CG1 4.32Å; F254-I484 HydrophobicContact CZ-CD1 3.55Å; F254-I484 HydrophobicContact CZ-CG1 3.45Å; F254-I484 VanDerWaalsContact CZ-CG1 3.45Å; I260-I484 HydrophobicContact CD1-CD1 3.75Å; I260-I484 HydrophobicContact CG1-CD1 4.11Å; Q413-I484 HydrophobicContact CB-CD1 4.24Å; Q413-I484 VanDerWaalsContact CD-CD1 3.43Å; Q413-I484 HydrophobicContact CG-CD1 4.23Å; I415-I484 HydrophobicContact CD1-CD1 4.03Å; I415-I484 HydrophobicContact CD1-CG2 3.83Å; I441-I484 HydrophobicContact CD1-CG2 4.32Å; G480-I484 PolarHBondContact O-N 2.83Å; G480-I484 VanDerWaalsContact O-N 3.13Å; F481-I484 PolarHBondContact O-N 2.95Å; I484-D486 VanDerWaalsContact C-N 3.33Å; I484-D486 PolarHBondContact O-N 3.06Å; I484-L487 PolarHBondContact O-N 3.3Å; I484-I488 HydrophobicContact CG2-CD1 3.42Å; I484-I488 VanDerWaalsContact CG2-CD1 3.42Å; I484-I488 HydrophobicContact CG2-CG1 4.09Å; I484-I488 WeakPolarHBondContact O-CG1 3.42Å; I484-I488 PolarHBondContact O-N 3.42Å
485Q90.4Very high85Confident0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-60.9-41.6-177-172-172.3-16.200111.8F481 L482 S489 P1585 L1588 F1617F481-Q485 WeakPolarHBondContact O-CB 3.32Å; F481-Q485 PolarHBondContact O-N 2.88Å; L482-Q485 PolarHBondContact O-N 3Å; Q485-S489 WeakPolarHBondContact O-CB 3.36Å; Q485-S489 PolarHBondContact O-N 3.04Å; Q485-S489 PolarHBondContact O-OG 3.14Å; Q485-P1585 PolarHBondContact NE2-O 3.04Å; Q485-L1588 HydrophobicContact CB-CD2 4.22Å; Q485-L1588 HydrophobicContact CG-CD2 4.17Å; Q485-F1617 HydrophobicContact CG-CD1 4.11Å; Q485-F1617 HydrophobicContact CG-CD2 3.93Å; Q485-F1617 HydrophobicContact CG-CE1 3.96Å; Q485-F1617 HydrophobicContact CG-CE2 3.78Å; Q485-F1617 HydrophobicContact CG-CG 4.09Å; Q485-F1617 HydrophobicContact CG-CZ 3.79Å
486D90.3Very high84.7Confident0 Ų06.2 Ų6.20%04%0.035CC..Hα-helixtrans-65-53.8174.6-167.324.7000111.1L77 T79 L482 I484 I488 S489 N490 K535 H1592L77-D486 HydrophobicContact CD1-CB 4.24Å; T79-D486 WeakPolarHBondContact CB-OD2 3.37Å; T79-D486 WeakPolarHBondContact CG2-OD2 3.36Å; T79-D486 PolarHBondContact OG1-OD2 2.78Å; L482-D486 PolarHBondContact O-N 3.09Å; I484-D486 VanDerWaalsContact C-N 3.33Å; I484-D486 PolarHBondContact O-N 3.06Å; D486-I488 PolarHBondContact O-N 3.47Å; D486-S489 PolarHBondContact O-N 2.95Å; D486-N490 VanDerWaalsContact CG-ND2 3.34Å; D486-N490 VanDerWaalsContact O-CG 3.27Å; D486-N490 PolarHBondContact O-N 3.32Å; D486-N490 PolarHBondContact O-ND2 3.42Å; D486-N490 PolarHBondContact OD1-ND2 2.94Å; D486-K535 WeakPolarHBondContact OD1-CD 3.37Å; D486-K535 WeakPolarHBondContact OD1-CE 3.38Å; D486-K535 IonicContact OD1-NZ 3.41Å; D486-K535 PolarHBondContact OD1-NZ 2.95Å; D486-H1592 IonicContact OD1-CD2 3.77Å; D486-H1592 IonicContact OD1-CE1 2.71Å; D486-H1592 IonicContact OD1-NE2 3.68Å; D486-H1592 PolarHBondContact OD1-NE2 2.92Å
487L89.1Confident84Confident12 Ų127.6 Ų7.66%0.0634%0.043CC..Hα-helixtrans-56.5-46.2-177.1-72.6164.2000113.2P78 V276 P279 D483 I484 N490 A491P78-L487 HydrophobicContact CB-CD1 4.21Å; P78-L487 HydrophobicContact CB-CD2 3.93Å; P78-L487 HydrophobicContact CB-CG 4.09Å; P78-L487 HydrophobicContact CG-CD1 3.94Å; P78-L487 HydrophobicContact CG-CD2 4.48Å; P78-L487 HydrophobicContact CG-CG 4.1Å; V276-L487 HydrophobicContact CB-CB 4.34Å; V276-L487 HydrophobicContact CG1-CB 4.04Å; V276-L487 HydrophobicContact CG1-CD1 4.41Å; V276-L487 HydrophobicContact CG2-CB 4.15Å; P279-L487 HydrophobicContact CG-CD1 4.18Å; D483-L487 WeakPolarHBondContact O-CB 3.12Å; D483-L487 WeakPolarHBondContact O-CD1 3.48Å; D483-L487 VanDerWaalsContact O-CG 3.29Å; D483-L487 WeakPolarHBondContact O-CG 3.25Å; D483-L487 PolarHBondContact O-N 2.98Å; D483-L487 VanDerWaalsContact O-N 3.16Å; I484-L487 PolarHBondContact O-N 3.3Å; L487-N490 PolarHBondContact O-N 3.42Å; L487-A491 WeakPolarHBondContact O-CB 3.4Å; L487-A491 PolarHBondContact O-N 3.36Å
488I89.2Confident83.5Confident0 Ų013.7 Ų13.70%08%0.075CC..Hα-helixtrans-65-43.3178.3-70.3175000111.5I272 M273 V276 I415 I439 I484 D486 N490 A491 I492 F1617I272-I488 HydrophobicContact CG2-CG2 4.18Å; M273-I488 HydrophobicContact CE-CD1 3.73Å; M273-I488 HydrophobicContact CE-CG1 4.16Å; V276-I488 HydrophobicContact CG2-CB 4.34Å; V276-I488 HydrophobicContact CG2-CG1 3.54Å; I415-I488 HydrophobicContact CD1-CD1 3.75Å; I415-I488 HydrophobicContact CG2-CD1 4.16Å; I439-I488 HydrophobicContact CD1-CG2 3.81Å; I484-I488 HydrophobicContact CG2-CD1 3.42Å; I484-I488 VanDerWaalsContact CG2-CD1 3.42Å; I484-I488 HydrophobicContact CG2-CG1 4.09Å; I484-I488 WeakPolarHBondContact O-CG1 3.42Å; I484-I488 PolarHBondContact O-N 3.42Å; D486-I488 PolarHBondContact O-N 3.47Å; I488-N490 VanDerWaalsContact C-N 3.32Å; I488-N490 PolarHBondContact O-N 3.09Å; I488-A491 PolarHBondContact O-N 3.41Å; I488-I492 HydrophobicContact CG2-CD1 3.78Å; I488-I492 HydrophobicContact CG2-CG1 4.46Å; I488-I492 WeakPolarHBondContact O-CG1 3.39Å; I488-I492 PolarHBondContact O-N 3.17Å; I488-F1617 HydrophobicContact CB-CZ 4.47Å; I488-F1617 HydrophobicContact CG2-CZ 4.27Å
489S88.2Confident82.9Confident0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-65.3-39.4-177.7-55.80000111.3Q485 D486 I492 I493 H1592 F1617Q485-S489 WeakPolarHBondContact O-CB 3.36Å; Q485-S489 PolarHBondContact O-N 3.04Å; Q485-S489 PolarHBondContact O-OG 3.14Å; D486-S489 PolarHBondContact O-N 2.95Å; S489-I492 PolarHBondContact O-N 2.86Å; S489-I493 WeakPolarHBondContact O-CB 3.36Å; S489-I493 WeakPolarHBondContact O-CD1 3.14Å; S489-I493 WeakPolarHBondContact O-CG1 3.41Å; S489-I493 PolarHBondContact O-N 3.12Å; S489-H1592 VanDerWaalsContact CB-CD2 3.49Å; S489-H1592 WeakPolarHBondContact CB-CD2 3.37Å; S489-H1592 WeakPolarHBondContact CB-ND1 3.47Å; S489-H1592 PolarHBondContact OG-CE1 2.99Å; S489-H1592 PolarHBondContact OG-ND1 3.47Å; S489-F1617 WeakPolarHBondContact OG-CE2 3.28Å; S489-F1617 VanDerWaalsContact OG-CZ 3.31Å; S489-F1617 WeakPolarHBondContact OG-CZ 3.44Å
490N86.5Confident82.2Confident10 Ų1017.2 Ų17.25%0.05310%0.097CC..Hα-helixtrans-67.1-42.7174.5-59.4-45.7000112T79 D486 L487 I488 I492 I493 E494 L532 K535T79-N490 WeakPolarHBondContact CG2-ND2 3.43Å; D486-N490 VanDerWaalsContact CG-ND2 3.34Å; D486-N490 VanDerWaalsContact O-CG 3.27Å; D486-N490 PolarHBondContact O-N 3.32Å; D486-N490 PolarHBondContact O-ND2 3.42Å; D486-N490 PolarHBondContact OD1-ND2 2.94Å; L487-N490 PolarHBondContact O-N 3.42Å; I488-N490 VanDerWaalsContact C-N 3.32Å; I488-N490 PolarHBondContact O-N 3.09Å; N490-I492 VanDerWaalsContact C-N 3.28Å; N490-I492 PolarHBondContact O-N 2.92Å; N490-I493 PolarHBondContact O-N 2.79Å; N490-I493 VanDerWaalsContact O-N 3.17Å; N490-E494 WeakPolarHBondContact O-CB 3.11Å; N490-E494 WeakPolarHBondContact O-CG 3.2Å; N490-E494 PolarHBondContact O-N 3.1Å; N490-L532 HydrophobicContact CB-CD2 4.34Å; N490-K535 PolarHBondContact OD1-NZ 3.37Å
491A84.5Confident81.5Confident2 Ų217.6 Ų17.62%0.01710%0.099CC..Hα-helixtrans-57.3-42.8175.200000111.4I272 R275 L487 I488 I495I272-A491 HydrophobicContact CG2-CB 4.17Å; R275-A491 HydrophobicContact CB-CB 3.82Å; L487-A491 WeakPolarHBondContact O-CB 3.4Å; L487-A491 PolarHBondContact O-N 3.36Å; I488-A491 PolarHBondContact O-N 3.41Å; A491-I495 VanDerWaalsContact O-CB 3.31Å; A491-I495 WeakPolarHBondContact O-CB 3.27Å; A491-I495 VanDerWaalsContact O-CD1 3.29Å; A491-I495 WeakPolarHBondContact O-CD1 3.48Å; A491-I495 WeakPolarHBondContact O-CG1 3.32Å; A491-I495 PolarHBondContact O-N 2.65Å
492I83.3Confident80.5Confident6 Ų620.8 Ų20.83%0.03111%0.111CC..Hα-helixtrans-65.6-44.2175.2-67.9168.4000111.6W268 I272 I439 I488 S489 N490 S496 I1615W268-I492 HydrophobicContact CH2-CG2 4.45Å; I272-I492 HydrophobicContact CD1-CD1 4.37Å; I272-I492 HydrophobicContact CD1-CG1 3.73Å; I272-I492 HydrophobicContact CG1-CG1 4.16Å; I439-I492 HydrophobicContact CD1-CD1 3.7Å; I488-I492 HydrophobicContact CG2-CD1 3.78Å; I488-I492 HydrophobicContact CG2-CG1 4.46Å; I488-I492 WeakPolarHBondContact O-CG1 3.39Å; I488-I492 PolarHBondContact O-N 3.17Å; S489-I492 PolarHBondContact O-N 2.86Å; N490-I492 VanDerWaalsContact C-N 3.28Å; N490-I492 PolarHBondContact O-N 2.92Å; I492-S496 VanDerWaalsContact O-CB 3.29Å; I492-S496 WeakPolarHBondContact O-CB 3.28Å; I492-S496 PolarHBondContact O-N 3.32Å; I492-S496 PolarHBondContact O-OG 3.34Å; I492-I1615 HydrophobicContact CB-CD1 4.16Å; I492-I1615 HydrophobicContact CG2-CD1 3.78Å; I492-I1615 HydrophobicContact CG2-CG1 4.24Å
493I79.9Confident79.4Confident2 Ų221.8 Ų21.81%0.0112%0.116CC..Hα-helixtrans-64.2-41.3178.4-70.3163000111.3S489 N490 S496 N497 H1592 Q1595 L1596 L1599 I1615S489-I493 WeakPolarHBondContact O-CB 3.36Å; S489-I493 WeakPolarHBondContact O-CD1 3.14Å; S489-I493 WeakPolarHBondContact O-CG1 3.41Å; S489-I493 PolarHBondContact O-N 3.12Å; N490-I493 PolarHBondContact O-N 2.79Å; N490-I493 VanDerWaalsContact O-N 3.17Å; I493-S496 PolarHBondContact O-OG 3.28Å; I493-N497 WeakPolarHBondContact O-CB 3.26Å; I493-N497 PolarHBondContact O-N 3.06Å; I493-N497 PolarHBondContact O-ND2 3.25Å; I493-H1592 HydrophobicContact CD1-CB 4.3Å; I493-Q1595 HydrophobicContact CD1-CB 4.16Å; I493-L1596 HydrophobicContact CG1-CB 4.22Å; I493-L1596 HydrophobicContact CG1-CD1 4.34Å; I493-L1599 HydrophobicContact CG2-CD1 3.63Å; I493-I1615 HydrophobicContact CG1-CD1 4.39Å
494E79Confident78.3Confident19 Ų1925.4 Ų25.49%0.08913%0.132CC..Hα-helixtrans-64.9-51.2175.3-75.1179.2-174.600111.9R275 N490 S496 N497 N498 I499 L532R275-E494 IonicContact CZ-OE2 2.65Å; R275-E494 IonicContact NH1-OE2 2.73Å; R275-E494 PolarHBondContact NH1-OE2 3.15Å; N490-E494 WeakPolarHBondContact O-CB 3.11Å; N490-E494 WeakPolarHBondContact O-CG 3.2Å; N490-E494 PolarHBondContact O-N 3.1Å; E494-S496 PolarHBondContact O-N 3.15Å; E494-N497 CarbonylContact O-C 3.59Å; E494-N497 PolarHBondContact O-N 3.26Å; E494-N498 PolarHBondContact O-N 2.66Å; E494-N498 VanDerWaalsContact O-N 3.12Å; E494-I499 HydrophobicContact CB-CB 4.12Å; E494-I499 HydrophobicContact CG-CB 4.24Å; E494-I499 HydrophobicContact CG-CG2 4.34Å; E494-I499 PolarHBondContact O-N 2.77Å; E494-L532 HydrophobicContact CG-CD1 3.52Å
495I78.7Confident77Confident21 Ų2128.4 Ų28.411%0.10815%0.146CC..Hα-helixtrans-64-43.2-176.7-68163.9000110.7W268 E271 I272 A491 N497 N498W268-I495 HydrophobicContact CZ2-CG2 3.74Å; E271-I495 HydrophobicContact CB-CD1 4.44Å; E271-I495 HydrophobicContact CG-CD1 3.8Å; E271-I495 HydrophobicContact CG-CG1 4.33Å; I272-I495 HydrophobicContact CG1-CD1 3.66Å; A491-I495 VanDerWaalsContact O-CB 3.31Å; A491-I495 WeakPolarHBondContact O-CB 3.27Å; A491-I495 VanDerWaalsContact O-CD1 3.29Å; A491-I495 WeakPolarHBondContact O-CD1 3.48Å; A491-I495 WeakPolarHBondContact O-CG1 3.32Å; A491-I495 PolarHBondContact O-N 2.65Å; I495-N497 PolarHBondContact O-N 3.26Å; I495-N498 PolarHBondContact O-N 3.09Å
496S74.7Confident75.4Confident28 Ų2830 Ų3020%0.19615%0.154CC..Hα-helixtrans-65.5-20.8177.853.30000114.2I492 I493 E494I492-S496 VanDerWaalsContact O-CB 3.29Å; I492-S496 WeakPolarHBondContact O-CB 3.28Å; I492-S496 PolarHBondContact O-N 3.32Å; I492-S496 PolarHBondContact O-OG 3.34Å; I493-S496 PolarHBondContact O-OG 3.28Å; E494-S496 PolarHBondContact O-N 3.15Å
497N70.8Confident73.6Confident33 Ų3334.5 Ų34.518%0.17618%0.178CC..THydrogen-bonded Turntrans-108.514.8178-69.1-86.9000113I493 E494 I495 I499I493-N497 WeakPolarHBondContact O-CB 3.26Å; I493-N497 PolarHBondContact O-N 3.06Å; I493-N497 PolarHBondContact O-ND2 3.25Å; E494-N497 CarbonylContact O-C 3.59Å; E494-N497 PolarHBondContact O-N 3.26Å; I495-N497 PolarHBondContact O-N 3.26Å; N497-I499 HydrophobicContact CB-CD1 4.12Å; N497-I499 HydrophobicContact CB-CG1 3.99Å; N497-I499 PolarHBondContact O-N 3.05Å; N497-I499 VanDerWaalsContact O-N 3.13Å
498N71.9Confident71.8Confident134 Ų13439 Ų3972%0.71720%0.203SC*.THydrogen-bonded Turntrans52.728-177.2-68-34.4000114.7E494 I495 P500E494-N498 PolarHBondContact O-N 2.66Å; E494-N498 VanDerWaalsContact O-N 3.12Å; I495-N498 PolarHBondContact O-N 3.09Å; N498-P500 WeakPolarHBondContact O-CD 3.36Å
499I68.5Low69.9Low20 Ų2041.4 Ų41.410%0.10322%0.219CC..PPolyproline II helixtrans-75.9122.2179.1-56.6178000108.7R275 E494 N497 L532R275-I499 PolarHBondContact NH1-O 3.43Å; E494-I499 HydrophobicContact CB-CB 4.12Å; E494-I499 HydrophobicContact CG-CB 4.24Å; E494-I499 HydrophobicContact CG-CG2 4.34Å; E494-I499 PolarHBondContact O-N 2.77Å; N497-I499 HydrophobicContact CB-CD1 4.12Å; N497-I499 HydrophobicContact CB-CG1 3.99Å; N497-I499 PolarHBondContact O-N 3.05Å; N497-I499 VanDerWaalsContact O-N 3.13Å; I499-L532 HydrophobicContact CD1-CD1 4.09Å; I499-L532 HydrophobicContact CG2-CD1 4.44Å
500P64.9Low67.7Low69 Ų6947.4 Ų47.445%0.44824%0.242SC..PPolyproline II helixtrans-70.8142.3176.926-30.5000111.1N498 Q505N498-P500 WeakPolarHBondContact O-CD 3.36Å; P500-Q505 HydrophobicContact CB-CG 4.16Å; P500-Q505 HydrophobicContact CG-CG 3.91Å; P500-Q505 PolarHBondContact O-NE2 3.13Å
501E69.5Low65.7Low9 Ų952.5 Ų52.54%0.04227%0.269CS..PPolyproline II helixtrans-56135.1-179.2-179-168.115700112.8Y274 R281 I503 K504 Q505Y274-E501 WeakPolarHBondContact CE1-OE2 3.39Å; R281-E501 IonicContact CZ-OE1 2.69Å; R281-E501 IonicContact NH1-OE1 2.94Å; R281-E501 PolarHBondContact NH1-OE1 3.3Å; R281-E501 IonicContact NH2-OE1 2.74Å; R281-E501 PolarHBondContact NH2-OE1 2.89Å; E501-I503 VanDerWaalsContact C-N 3.29Å; E501-I503 PolarHBondContact O-N 3.1Å; E501-I503 VanDerWaalsContact O-N 3.14Å; E501-K504 HydrophobicContact CB-CB 4.31Å; E501-K504 HydrophobicContact CB-CD 4.15Å; E501-K504 HydrophobicContact CB-CG 4.29Å; E501-K504 WeakPolarHBondContact O-CA 3.23Å; E501-K504 PolarHBondContact O-N 3.26Å; E501-K504 WeakPolarHBondContact OE2-CD 3.25Å; E501-K504 WeakPolarHBondContact OE2-CE 3.48Å; E501-K504 IonicContact OE2-NZ 3.81Å; E501-K504 PolarHBondContact OE2-NZ 2.65Å; E501-Q505 PolarHBondContact O-N 3.01Å
502R67.6Low63.8Low66 Ų6656 Ų5625%0.24929%0.293CS..Hα-helixtrans-49.2-42.6-176.1-70.7171.1168.8-176.8-3.6114.7E278 Q505 L506 L532 L1564E278-R502 VanDerWaalsContact OE1-CD 3.23Å; E278-R502 WeakPolarHBondContact OE1-CD 3.37Å; E278-R502 IonicContact OE1-NH1 2.72Å; E278-R502 IonicContact OE2-NH1 2.68Å; R502-Q505 PolarHBondContact O-N 3.02Å; R502-L506 PolarHBondContact O-N 3.11Å; R502-L532 PolarHBondContact NH2-O 2.95Å; R502-L1564 HydrophobicContact CB-CD2 4.15Å
503I64.6Low61.8Low24 Ų2464.3 Ų64.312%0.12333%0.325CS..Hα-helixtrans-67.3-42.3178.8-60.9170.6000110.7E278 R281 E501 L506 N507 L1564E278-I503 HydrophobicContact CG-CD1 4.41Å; R281-I503 HydrophobicContact CB-CD1 4.48Å; E501-I503 VanDerWaalsContact C-N 3.29Å; E501-I503 PolarHBondContact O-N 3.1Å; E501-I503 VanDerWaalsContact O-N 3.14Å; I503-L506 PolarHBondContact O-N 3.32Å; I503-N507 PolarHBondContact O-N 3.02Å; I503-N507 PolarHBondContact O-OD1 2.77Å; I503-L1564 HydrophobicContact CG1-CD1 4.31Å
504K65.1Low59.8Low77 Ų7770 Ų7034%0.33536%0.36SS..Hα-helixtrans-68.4-33.9177-67.1176-179.71380111.9E501 L506 N508E501-K504 HydrophobicContact CB-CB 4.31Å; E501-K504 HydrophobicContact CB-CD 4.15Å; E501-K504 HydrophobicContact CB-CG 4.29Å; E501-K504 WeakPolarHBondContact O-CA 3.23Å; E501-K504 PolarHBondContact O-N 3.26Å; E501-K504 WeakPolarHBondContact OE2-CD 3.25Å; E501-K504 WeakPolarHBondContact OE2-CE 3.48Å; E501-K504 IonicContact OE2-NZ 3.81Å; E501-K504 PolarHBondContact OE2-NZ 2.65Å; K504-L506 PolarHBondContact O-N 2.81Å; K504-N508 VanDerWaalsContact O-CB 3.25Å; K504-N508 WeakPolarHBondContact O-CB 3.41Å; K504-N508 PolarHBondContact O-N 2.81Å; K504-N508 PolarHBondContact O-OD1 3.4Å
505Q60.8Low57.5Low65 Ų6572.2 Ų72.230%0.30439%0.387SS..Hα-helixtrans-58-46.2174.8-68-17314.500111.9P500 E501 R502 S509P500-Q505 HydrophobicContact CB-CG 4.16Å; P500-Q505 HydrophobicContact CG-CG 3.91Å; P500-Q505 PolarHBondContact O-NE2 3.13Å; E501-Q505 PolarHBondContact O-N 3.01Å; R502-Q505 PolarHBondContact O-N 3.02Å; Q505-S509 PolarHBondContact O-N 3.01Å
506L56.1Low55.2Low33 Ų3376.6 Ų76.617%0.17342%0.42CS..Hα-helixtrans-70.9-47.7-179.4-71170.5000112R502 I503 K504 N508 S509 W510 Q1563 L1564R502-L506 PolarHBondContact O-N 3.11Å; I503-L506 PolarHBondContact O-N 3.32Å; K504-L506 PolarHBondContact O-N 2.81Å; L506-N508 VanDerWaalsContact C-N 3.27Å; L506-N508 PolarHBondContact O-N 3.32Å; L506-S509 PolarHBondContact O-N 2.72Å; L506-S509 PolarHBondContact O-OG 3.06Å; L506-W510 PolarHBondContact O-N 3.41Å; L506-W510 VanDerWaalsContact O-N 3.08Å; L506-Q1563 VanDerWaalsContact CD2-OE1 3.24Å; L506-L1564 HydrophobicContact CD1-CD1 3.88Å; L506-L1564 HydrophobicContact CD1-CD2 3.73Å; L506-L1564 HydrophobicContact CD1-CG 3.64Å
507N53Low53Low95 Ų9580 Ų8051%0.50844%0.444SS..Hα-helixtrans-60.3-37.2177.7-73.225.5000112.4I503 W510 N511I503-N507 PolarHBondContact O-N 3.02Å; I503-N507 PolarHBondContact O-OD1 2.77Å; N507-W510 PolarHBondContact O-N 2.96Å; N507-N511 PolarHBondContact O-N 3.39Å
508N50.9Low51.1Low107 Ų10784 Ų8457%0.57247%0.474SS*.Hα-helixtrans-68.3-37.3174.9-72.85.2000112.2K504 L506 W510 S512K504-N508 VanDerWaalsContact O-CB 3.25Å; K504-N508 WeakPolarHBondContact O-CB 3.41Å; K504-N508 PolarHBondContact O-N 2.81Å; K504-N508 PolarHBondContact O-OD1 3.4Å; L506-N508 VanDerWaalsContact C-N 3.27Å; L506-N508 PolarHBondContact O-N 3.32Å; N508-W510 VanDerWaalsContact C-N 3.31Å; N508-W510 PolarHBondContact O-N 3.2Å; N508-S512 VanDerWaalsContact O-CB 3.26Å; N508-S512 WeakPolarHBondContact O-CB 3.37Å; N508-S512 PolarHBondContact O-N 3.43Å; N508-S512 PolarHBondContact O-OG 2.98Å
509S48.5Very low49.1Very low50 Ų5084.1 Ų84.135%0.3548%0.48SS..Hα-helixtrans-60.9-39.9173.970.40000112.2Q505 L506 S512Q505-S509 PolarHBondContact O-N 3.01Å; L506-S509 PolarHBondContact O-N 2.72Å; L506-S509 PolarHBondContact O-OG 3.06Å; S509-S512 PolarHBondContact O-OG 2.98Å
510W42.7Very low47.2Very low126 Ų12688.9 Ų88.948%0.47752%0.515SS..Hα-helixtrans-68.4-51.4175.9-9055.4000112.7L506 N507 N508 S512 W513L506-W510 PolarHBondContact O-N 3.41Å; L506-W510 VanDerWaalsContact O-N 3.08Å; N507-W510 PolarHBondContact O-N 2.96Å; N508-W510 VanDerWaalsContact C-N 3.31Å; N508-W510 PolarHBondContact O-N 3.2Å; W510-S512 PolarHBondContact O-N 3.21Å; W510-W513 PolarHBondContact O-N 3.1Å; W510-W513 VanDerWaalsContact O-N 3.12Å
511N44.8Very low45.4Very low116 Ų11691.1 Ų91.162%0.6253%0.532SS*.Hα-helixtrans-64.8-25.8-179.8-71.4-1.3000112.9N507 W513 T514N507-N511 PolarHBondContact O-N 3.39Å; N511-W513 PolarHBondContact O-N 3.32Å; N511-T514 PolarHBondContact O-N 3.39Å; N511-T514 PolarHBondContact O-OG1 3.47Å
512S44.9Very low43.4Very low76 Ų7695.3 Ų95.353%0.53156%0.563SS.*THydrogen-bonded Turntrans-67.1-13.5176.174.60000114.4N508 S509 W510N508-S512 VanDerWaalsContact O-CB 3.26Å; N508-S512 WeakPolarHBondContact O-CB 3.37Å; N508-S512 PolarHBondContact O-N 3.43Å; N508-S512 PolarHBondContact O-OG 2.98Å; S509-S512 PolarHBondContact O-OG 2.98Å; W510-S512 PolarHBondContact O-N 3.21Å
513W39.9Very low41.7Very low181 Ų18197.4 Ų97.469%0.68659%0.585SS**THydrogen-bonded Turntrans-102.23.6-178.2-71.14000113.6W510 N511 S1527W510-W513 PolarHBondContact O-N 3.1Å; W510-W513 VanDerWaalsContact O-N 3.12Å; N511-W513 PolarHBondContact O-N 3.32Å; W513-S1527 WeakPolarHBondContact CZ3-OG 3.3Å
514T37.8Very low40.1Very low122 Ų122101.3 Ų101.375%0.74861%0.614SS**SBendtrans-117.652.7172.958.50000111.5N511N511-T514 PolarHBondContact O-N 3.39Å; N511-T514 PolarHBondContact O-OG1 3.47Å
515G31.8Very low38.6Very low65 Ų65102.5 Ų102.567%0.6763%0.628SS**SBendtrans-166.9146.7177.500000111.5
516S30.1Very low37.6Very low112 Ų112104 Ų10478%0.78365%0.646SS**  trans-93125.6-169.143.80000114.8
517S29.6Very low37Very low101 Ų101107 Ų10771%0.70667%0.67SS**  trans64.6136.5146620000121.3
518S29.1Very low36.8Very low117 Ų117105.1 Ų105.182%0.81866%0.664SS**  trans73.7147.7163.188.70000116.9
519T29.7Very low36.7Very low135 Ų135104.1 Ų104.183%0.82866%0.658SS**  cis-128.5174.5-3.946.70000111.5
520S28.9Very low36.9Very low121 Ų121106.6 Ų106.685%0.84666%0.664SS**  trans-81.7131.4-171.153.40000115.6
521S28.2Very low37.4Very low116 Ų116101.6 Ų101.681%0.81165%0.647SS**  trans-146.4148.6148.560.20000110.4
522S27.3Very low38.2Very low97 Ų9797.4 Ų97.468%0.67862%0.624SS**  trans-87.7121.8-165.754.80000113.6S524S522-S524 VanDerWaalsContact C-N 3.28Å; S522-S524 PolarHBondContact O-N 2.8Å
523P32.3Very low39.6Very low110 Ų11093.9 Ų93.971%0.71460%0.599SS**  trans-83.560.3-179.534.9-36.6000112.8T525P523-T525 PolarHBondContact O-N 2.76Å
524S29.7Very low41.7Very low105 Ų10585.3 Ų85.373%0.73457%0.567SS**THydrogen-bonded Turntrans-77.228.5179.650.40000114.6S522S522-S524 VanDerWaalsContact C-N 3.28Å; S522-S524 PolarHBondContact O-N 2.8Å
525T34.2Very low44.2Very low103 Ų10379.5 Ų79.563%0.63253%0.531SS*.THydrogen-bonded Turntrans-131.219.7-177.550.10000113.6P523 S527 S528P523-T525 PolarHBondContact O-N 2.76Å; T525-S527 PolarHBondContact O-N 3.2Å; T525-S528 PolarHBondContact O-OG 3.06Å
526S39.6Very low47Very low97 Ų9776.8 Ų76.868%0.67850%0.501SS*.THydrogen-bonded Turntrans-68.111.6-178.255.10000116.1
527S45Very low49.8Very low96 Ų9671.5 Ų71.567%0.67146%0.464SS*.THydrogen-bonded Turntrans-85.9-22.7177.353.80000114.3T525T525-S527 PolarHBondContact O-N 3.2Å
528S48Very low52.6Low54 Ų5466.8 Ų66.838%0.37843%0.431SS..G310 helixtrans-70.5-39.1-175.8550000113.7T525 H530 L531T525-S528 PolarHBondContact O-OG 3.06Å; S528-H530 PolarHBondContact O-N 3Å; S528-L531 PolarHBondContact O-N 3.43Å; S528-L531 VanDerWaalsContact O-N 3.16Å
529N47.7Very low55.4Low87 Ų8761.7 Ų61.747%0.46539%0.394SS..G310 helixtrans-65.5-4.9-171-73.1-15.5000115.6
530H53Low58.2Low102 Ų10256.5 Ų56.547%0.47236%0.36SS..G310 helixtrans-107.95.1177.2-77.6-45000115.1S528 I1385S528-H530 PolarHBondContact O-N 3Å; H530-I1385 HydrophobicContact CB-CD1 3.9Å
531L53.7Low61Low21 Ų2151 Ų5111%0.1132%0.321CS..  trans-74.6-21.2177.9-90.3129.4000115.2S528 I533 Y1389 M1598 L1599S528-L531 PolarHBondContact O-N 3.43Å; S528-L531 VanDerWaalsContact O-N 3.16Å; L531-I533 VanDerWaalsContact C-N 3.34Å; L531-I533 PolarHBondContact O-N 3.21Å; L531-Y1389 PolarHBondContact O-OH 3.33Å; L531-M1598 HydrophobicContact CD2-CE 4.07Å; L531-M1598 HydrophobicContact CD2-SD 3.56Å; L531-M1598 VanDerWaalsContact CD2-SD 3.56Å; L531-L1599 HydrophobicContact CB-CD2 4.48Å; L531-L1599 HydrophobicContact CD1-CD2 4Å; L531-L1599 HydrophobicContact CD2-CD2 4.09Å; L531-L1599 HydrophobicContact CG-CD2 4.41Å
532L61.9Low63.5Low28 Ų2846 Ų4615%0.14729%0.286CS..  trans-82.179179.8-83.3154.6000112N490 E494 I499 R502N490-L532 HydrophobicContact CB-CD2 4.34Å; E494-L532 HydrophobicContact CG-CD1 3.52Å; I499-L532 HydrophobicContact CD1-CD1 4.09Å; I499-L532 HydrophobicContact CG2-CD1 4.44Å; R502-L532 PolarHBondContact NH2-O 2.95Å
533I75.1Confident65.9Low2 Ų241.9 Ų41.91%0.0126%0.257CS..  trans-74.7144.4-178.6-69.3178.4000112.1L531 I1385 Y1389 Y1509 Y1571 F1572L531-I533 VanDerWaalsContact C-N 3.34Å; L531-I533 PolarHBondContact O-N 3.21Å; I533-I1385 HydrophobicContact CD1-CG2 3.75Å; I533-Y1389 HydrophobicContact CD1-CD2 4.11Å; I533-Y1389 HydrophobicContact CD1-CE2 3.36Å; I533-Y1509 HydrophobicContact CD1-CE2 3.82Å; I533-Y1571 VanDerWaalsContact CG2-CA 3.42Å; I533-F1572 HydrophobicContact CB-CD2 4.39Å; I533-F1572 HydrophobicContact CD1-CD2 4.39Å; I533-F1572 HydrophobicContact CD1-CE2 4.06Å; I533-F1572 HydrophobicContact CG2-CD2 3.69Å; I533-F1572 HydrophobicContact CG2-CE2 4.36Å; I533-F1572 HydrophobicContact CG2-CG 4.5Å
534G83Confident68.1Low0 Ų038.6 Ų38.60%024%0.236CC..EExtended strand (participates in β ladder)trans-71.2151.6177.300000113P1568 Y1571 F1572G534-P1568 VanDerWaalsContact CA-CG 3.44Å; G534-Y1571 CarbonylContact O-C 3.48Å; G534-Y1571 WeakPolarHBondContact O-CA 3.3Å; G534-Y1571 VanDerWaalsContact O-CB 3.32Å; G534-Y1571 WeakPolarHBondContact O-CB 3.46Å; G534-F1572 PolarHBondContact O-N 3.14Å
535K90.1Very high70.3Confident0 Ų034.5 Ų34.50%021%0.205CC..EExtended strand (participates in β ladder)trans-118.7137.4-179.3-67.5139.3-174.9150.50112.8L77 T79 D486 N490 F1572 L1588 L1591 H1592 Q1595L77-K535 HydrophobicContact CB-CB 4.34Å; L77-K535 HydrophobicContact CD1-CB 3.91Å; L77-K535 HydrophobicContact CG-CB 4.5Å; L77-K535 PolarHBondContact N-O 2.87Å; T79-K535 PolarHBondContact OG1-N 3.21Å; T79-K535 VanDerWaalsContact OG1-N 3.12Å; D486-K535 WeakPolarHBondContact OD1-CD 3.37Å; D486-K535 WeakPolarHBondContact OD1-CE 3.38Å; D486-K535 IonicContact OD1-NZ 3.41Å; D486-K535 PolarHBondContact OD1-NZ 2.95Å; N490-K535 PolarHBondContact OD1-NZ 3.37Å; K535-F1572 WeakPolarHBondContact CA-O 3.46Å; K535-L1588 HydrophobicContact CD-CD1 4.21Å; K535-L1591 HydrophobicContact CD-CD2 4.07Å; K535-L1591 HydrophobicContact CG-CD2 4.1Å; K535-H1592 PolarHBondContact NZ-NE2 3.33Å; K535-Q1595 VanDerWaalsContact CE-OE1 3.28Å
536Q90.2Very high72.2Confident9 Ų932 Ų324%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-125.1145.7176.7-172.9169.986.400109.2S74 I75 N76 M80 Y1571 F1572 R1573 I1574S74-Q536 VanDerWaalsContact CB-CD 3.4Å; S74-Q536 PolarHBondContact OG-NE2 2.77Å; I75-Q536 CarbonylContact O-C 3.49Å; I75-Q536 WeakPolarHBondContact O-CA 3.42Å; N76-Q536 PolarHBondContact OD1-NE2 3.29Å; M80-Q536 HydrophobicContact CE-CB 3.66Å; M80-Q536 HydrophobicContact CE-CG 4.46Å; Q536-Y1571 HydrophobicContact CB-CD2 4.09Å; Q536-Y1571 HydrophobicContact CB-CE2 4.38Å; Q536-F1572 PolarHBondContact N-O 3.33Å; Q536-R1573 HydrophobicContact CB-CB 4.44Å; Q536-R1573 CarbonylContact O-C 3.52Å; Q536-R1573 WeakPolarHBondContact O-CA 3.49Å; Q536-I1574 PolarHBondContact O-N 2.96Å
537M89.6Confident73.8Confident0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-112.7133.2176.9-79.4-73.5-175.500109.1I75 L77 L482 I1574 F1576 G1584 L1588I75-M537 HydrophobicContact CB-CB 4.13Å; I75-M537 PolarHBondContact N-O 3.09Å; I75-M537 PolarHBondContact O-N 3.13Å; L77-M537 HydrophobicContact CD1-CE 4.25Å; L77-M537 HydrophobicContact CD1-CG 4.26Å; L77-M537 HydrophobicContact CD2-CG 4.45Å; L77-M537 HydrophobicContact CG-CG 4.36Å; L482-M537 HydrophobicContact CD1-CE 4.44Å; L482-M537 HydrophobicContact CD2-CE 4.02Å; M537-I1574 HydrophobicContact CE-CB 4.38Å; M537-I1574 HydrophobicContact CE-CD1 3.76Å; M537-I1574 HydrophobicContact CE-CG2 4.24Å; M537-I1574 HydrophobicContact SD-CB 3.84Å; M537-I1574 HydrophobicContact SD-CD1 4.25Å; M537-I1574 HydrophobicContact SD-CG2 3.84Å; M537-F1576 HydrophobicContact CB-CE1 3.97Å; M537-F1576 HydrophobicContact SD-CD1 3.84Å; M537-F1576 HydrophobicContact SD-CE1 3.97Å; M537-G1584 WeakPolarHBondContact CE-O 3.42Å; M537-L1588 HydrophobicContact CE-CB 3.73Å; M537-L1588 HydrophobicContact CE-CD1 4.42Å; M537-L1588 HydrophobicContact CE-CD2 4.04Å; M537-L1588 HydrophobicContact CE-CG 4.27Å
538K89.4Confident75.4Confident2 Ų227.4 Ų27.41%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-137.3126.6-178.7-178.267.9170.9-177.20109.8V72 D101 D103 R1573 I1574 W1575 F1576V72-K538 PolarHBondContact O-NZ 3.03Å; D101-K538 VanDerWaalsContact CG-NZ 3.33Å; D101-K538 IonicContact OD1-NZ 2.85Å; D101-K538 PolarHBondContact OD1-NZ 3.43Å; D101-K538 WeakPolarHBondContact OD2-CE 3.39Å; D101-K538 IonicContact OD2-NZ 2.83Å; D101-K538 PolarHBondContact OD2-NZ 3.06Å; D103-K538 IonicContact OD2-NZ 3.01Å; D103-K538 PolarHBondContact OD2-NZ 3.22Å; K538-R1573 HydrophobicContact CB-CG 3.82Å; K538-R1573 HydrophobicContact CG-CG 4.5Å; K538-I1574 PolarHBondContact N-O 2.96Å; K538-W1575 HydrophobicContact CB-CD2 4.3Å; K538-W1575 HydrophobicContact CB-CE3 4.12Å; K538-W1575 HydrophobicContact CB-CZ3 4.44Å; K538-W1575 HydrophobicContact CD-CZ3 4.24Å; K538-W1575 HydrophobicContact CG-CD2 4Å; K538-W1575 HydrophobicContact CG-CE3 3.45Å; K538-W1575 VanDerWaalsContact CG-CE3 3.45Å; K538-W1575 HydrophobicContact CG-CH2 3.78Å; K538-W1575 HydrophobicContact CG-CZ2 4.28Å; K538-W1575 HydrophobicContact CG-CZ3 3.33Å; K538-W1575 CarbonylContact O-C 3.48Å; K538-W1575 WeakPolarHBondContact O-CA 3.35Å; K538-F1576 VanDerWaalsContact O-CD1 3.23Å; K538-F1576 WeakPolarHBondContact O-CD1 3.44Å; K538-F1576 PolarHBondContact O-N 3.29Å
539F87.9Confident76.6Confident10 Ų1029.2 Ų29.24%0.04414%0.144CC..EExtended strand (participates in β ladder)trans-65.5145.2171.8-76.5-105.4000110V72 I75 Y95 N467 T474 L477 F1576 N1578V72-F539 HydrophobicContact CB-CB 4.09Å; V72-F539 HydrophobicContact CB-CD2 3.93Å; V72-F539 HydrophobicContact CB-CG 4.16Å; V72-F539 HydrophobicContact CG1-CD2 3.82Å; V72-F539 HydrophobicContact CG1-CE2 4.14Å; V72-F539 HydrophobicContact CG1-CG 4.5Å; V72-F539 HydrophobicContact CG2-CB 4.23Å; V72-F539 HydrophobicContact CG2-CD2 4.32Å; V72-F539 HydrophobicContact CG2-CG 4.19Å; I75-F539 HydrophobicContact CD1-CE2 4.02Å; Y95-F539 HydrophobicContact CD1-CE2 4.28Å; Y95-F539 HydrophobicContact CG-CE2 4.41Å; N467-F539 HydrophobicContact CB-CE1 4.35Å; T474-F539 HydrophobicContact CG2-CZ 4.1Å; L477-F539 HydrophobicContact CD1-CE2 3.79Å; L477-F539 HydrophobicContact CD1-CZ 3.48Å; L477-F539 VanDerWaalsContact CD1-CZ 3.48Å; F539-F1576 CarbonylContact C-O 3.53Å; F539-F1576 WeakPolarHBondContact CA-O 3.42Å; F539-F1576 HydrophobicContact CD1-CE2 4.49Å; F539-F1576 HydrophobicContact CD1-CZ 4.43Å; F539-F1576 HydrophobicContact CD2-CE1 4.39Å; F539-F1576 AromaticContact CD2-CZ 3.96Å; F539-F1576 HydrophobicContact CD2-CZ 3.96Å; F539-F1576 HydrophobicContact CE1-CE2 4.39Å; F539-F1576 HydrophobicContact CE1-CZ 4.42Å; F539-F1576 AromaticContact CE2-CZ 3.93Å; F539-F1576 HydrophobicContact CE2-CZ 3.93Å; F539-F1576 HydrophobicContact CG-CZ 4.22Å; F539-F1576 HydrophobicContact CZ-CE2 4.46Å; F539-F1576 HydrophobicContact CZ-CZ 4.17Å; F539-N1578 HydrophobicContact CD1-CB 4.08Å; F539-N1578 HydrophobicContact CE1-CB 3.6Å
540F88.4Confident78.2Confident26 Ų2625.2 Ų25.211%0.11412%0.123CC..PPolyproline II helixtrans-56.1134159.7-78.420000109.3F1357 L1492 R1503 W1575 F1576 N1577F540-F1357 AromaticContact CE1-CE1 3.91Å; F540-F1357 HydrophobicContact CE1-CE1 3.91Å; F540-F1357 HydrophobicContact CE1-CZ 4.18Å; F540-F1357 AromaticContact CZ-CE1 3.79Å; F540-F1357 HydrophobicContact CZ-CE1 3.79Å; F540-L1492 HydrophobicContact CD1-CD1 3.96Å; F540-L1492 HydrophobicContact CD2-CD1 4.45Å; F540-L1492 HydrophobicContact CD2-CD2 4.16Å; F540-L1492 HydrophobicContact CE1-CD1 4.23Å; F540-L1492 HydrophobicContact CE2-CD2 3.93Å; F540-L1492 HydrophobicContact CG-CD1 4.08Å; F540-L1492 HydrophobicContact CZ-CD2 4.14Å; F540-R1503 HydrophobicContact CE2-CB 4.36Å; F540-R1503 HydrophobicContact CE2-CG 3.79Å; F540-R1503 HydrophobicContact CZ-CG 3.87Å; F540-W1575 HydrophobicContact CD1-CB 4.07Å; F540-W1575 HydrophobicContact CE1-CB 3.79Å; F540-F1576 PolarHBondContact N-O 2.94Å; F540-N1577 HydrophobicContact CB-CB 4.45Å; F540-N1577 HydrophobicContact CD1-CB 4.48Å; F540-N1577 HydrophobicContact CD2-CB 3.69Å; F540-N1577 HydrophobicContact CE2-CB 3.93Å; F540-N1577 HydrophobicContact CG-CB 3.97Å; F540-N1577 HydrophobicContact CZ-CB 4.44Å
541P87.1Confident79.4Confident5 Ų520.6 Ų20.63%0.03210%0.102CC..PPolyproline II helixtrans-65.4146168.430.3-34.9000109.7C70 L1492 I1493C70-P541 VanDerWaalsContact O-CA 3.25Å; C70-P541 WeakPolarHBondContact O-CA 3.41Å; P541-L1492 HydrophobicContact CG-CB 4.29Å; P541-I1493 HydrophobicContact CB-CD1 4.04Å; P541-I1493 HydrophobicContact CB-CG1 3.97Å; P541-I1493 HydrophobicContact CG-CD1 4.15Å; P541-I1493 HydrophobicContact CG-CG1 3.8Å
542T80Confident80.3Confident11 Ų1122.5 Ų22.57%0.06711%0.112CC..BIsolated β-bridgetrans-104141168.865.90000110.6C70 P465C70-T542 WeakPolarHBondContact CB-OG1 3.42Å; C70-T542 PolarHBondContact N-O 3.19Å; C70-T542 PolarHBondContact O-N 2.95Å; P465-T542 HydrophobicContact CB-CG2 4.03Å
543S77.6Confident80.8Confident12 Ų1225.5 Ų25.58%0.08412%0.123CC..  trans-52.7161.2165.869.20000111.7Y545 M1459 Q1496S543-Y545 WeakPolarHBondContact O-CD1 3.22Å; S543-M1459 VanDerWaalsContact CB-CE 3.47Å; S543-Q1496 PolarHBondContact OG-NE2 3.08Å
544C78.3Confident80.9Confident40 Ų4025.8 Ų25.827%0.2713%0.125SC..  trans-61.1150166.784.30000110.6E67 C1457E67-C544 CarbonylContact O-C 3.51Å; E67-C544 VanDerWaalsContact O-CA 3.28Å; E67-C544 WeakPolarHBondContact O-CA 3.46Å; E67-C544 VanDerWaalsContact O-CB 3.23Å; E67-C544 WeakPolarHBondContact O-CB 3.45Å; C544-C1457 HydrophobicContact CB-CB 4.36Å; C544-C1457 WeakPolarHBondContact CB-SG 3.4Å; C544-C1457 VanDerWaalsContact SG-CA 3.57Å; C544-C1457 WeakPolarHBondContact SG-CB 3.22Å; C544-C1457 CovalentContact SG-SG 2.04Å; C544-C1457 PolarHBondContact SG-SG 3.34Å
545Y76.1Confident80.7Confident19 Ų1926.9 Ų26.98%0.07513%0.13CC..EExtended strand (participates in β ladder)trans-153.5160.3-172.164.9-89.8000112.2E67 P463 K464 P465 S543 K547E67-Y545 HydrophobicContact CB-CD1 4.2Å; E67-Y545 HydrophobicContact CB-CD2 4.17Å; E67-Y545 HydrophobicContact CB-CE1 3.8Å; E67-Y545 HydrophobicContact CB-CE2 3.75Å; E67-Y545 HydrophobicContact CB-CG 4.36Å; E67-Y545 HydrophobicContact CG-CD2 4.4Å; E67-Y545 HydrophobicContact CG-CE1 4.49Å; E67-Y545 HydrophobicContact CG-CE2 3.68Å; E67-Y545 PolarHBondContact N-O 2.94Å; E67-Y545 PolarHBondContact O-N 3.37Å; P463-Y545 HydrophobicContact CB-CD2 4.05Å; P463-Y545 HydrophobicContact CB-CG 3.97Å; P463-Y545 HydrophobicContact CG-CD2 4.23Å; K464-Y545 HydrophobicContact CB-CE2 4.32Å; P465-Y545 WeakPolarHBondContact CD-OH 3.22Å; S543-Y545 WeakPolarHBondContact O-CD1 3.22Å; Y545-K547 HydrophobicContact CE2-CB 4.18Å
546K74.6Confident80Confident50 Ų5030.5 Ų30.522%0.21715%0.146CC..EExtended strand (participates in β ladder)trans-94.8126.2172.3-51.9-167.21771740110.8V65 N66 N719V65-K546 CarbonylContact O-C 3.55Å; V65-K546 WeakPolarHBondContact O-CA 3.32Å; N66-K546 WeakPolarHBondContact OD1-CE 3.44Å; N66-K546 WeakPolarHBondContact OD1-CG 3.44Å; K546-N719 WeakPolarHBondContact CB-OD1 3.49Å; K546-N719 PolarHBondContact O-ND2 3.25Å
547K74.2Confident79.2Confident82 Ų8231.5 Ų31.536%0.35715%0.151SC..EExtended strand (participates in β ladder)trans-95112.7173.1-172.9-167174.6-156.40108.9V65 E67 Y545 E549V65-K547 PolarHBondContact N-O 3.17Å; V65-K547 PolarHBondContact O-N 3.34Å; E67-K547 HydrophobicContact CG-CB 4.03Å; Y545-K547 HydrophobicContact CE2-CB 4.18Å; K547-E549 WeakPolarHBondContact CE-OE1 3.42Å; K547-E549 IonicContact NZ-OE1 3.97Å; K547-E549 PolarHBondContact NZ-OE1 2.78Å
548D78Confident78.8Confident16 Ų1631.6 Ų31.69%0.08615%0.151CC..  trans-12199-179.4-165.7-30.6000110.9R59 P64 F550 L551 N552R59-D548 IonicContact CZ-OD1 3.32Å; R59-D548 IonicContact CZ-OD2 2.71Å; R59-D548 VanDerWaalsContact CZ-OD2 3.26Å; R59-D548 VanDerWaalsContact NH1-CG 3.3Å; R59-D548 IonicContact NH1-OD1 3.81Å; R59-D548 PolarHBondContact NH1-OD1 3.49Å; R59-D548 IonicContact NH1-OD2 3.46Å; R59-D548 PolarHBondContact NH1-OD2 3.01Å; R59-D548 IonicContact NH2-OD1 2.99Å; R59-D548 IonicContact NH2-OD2 2.68Å; R59-D548 PolarHBondContact NH2-OD2 3.4Å; P64-D548 HydrophobicContact CB-CB 4.24Å; D548-F550 PolarHBondContact OD1-N 2.9Å; D548-L551 HydrophobicContact CB-CB 4.26Å; D548-L551 WeakPolarHBondContact OD1-CB 3.42Å; D548-L551 PolarHBondContact OD1-N 3.14Å; D548-N552 WeakPolarHBondContact O-CB 3.2Å; D548-N552 PolarHBondContact O-N 2.99Å; D548-N552 PolarHBondContact O-ND2 2.62Å
549E73.3Confident78.3Confident92 Ų9231.5 Ų31.543%0.4315%0.151SC..Hα-helixtrans-75.7-33.3-179.5-65.6-166.5-174.600112.8K547 N552 K553K547-E549 WeakPolarHBondContact CE-OE1 3.42Å; K547-E549 IonicContact NZ-OE1 3.97Å; K547-E549 PolarHBondContact NZ-OE1 2.78Å; E549-N552 PolarHBondContact O-N 3.11Å; E549-K553 WeakPolarHBondContact O-CG 3.43Å; E549-K553 PolarHBondContact O-N 3.39Å
550F81.1Confident77.7Confident3 Ų331.4 Ų31.41%0.01315%0.151CC..Hα-helixtrans-59-54.8176.8170.5-86.5000110.6I58 R59 S62 D548 N552 K553 I554 I627 F1777I58-F550 HydrophobicContact CB-CE2 4.17Å; I58-F550 HydrophobicContact CG2-CD2 4.19Å; I58-F550 HydrophobicContact CG2-CE2 3.92Å; R59-F550 HydrophobicContact CB-CD2 4.46Å; R59-F550 HydrophobicContact CB-CE1 4.21Å; R59-F550 HydrophobicContact CB-CE2 3.87Å; R59-F550 HydrophobicContact CB-CZ 3.74Å; R59-F550 HydrophobicContact CG-CE1 4.34Å; R59-F550 HydrophobicContact CG-CZ 4.37Å; S62-F550 VanDerWaalsContact OG-CD2 3.23Å; S62-F550 WeakPolarHBondContact OG-CD2 3.17Å; D548-F550 PolarHBondContact OD1-N 2.9Å; F550-N552 VanDerWaalsContact C-N 3.32Å; F550-N552 PolarHBondContact O-N 2.63Å; F550-K553 PolarHBondContact O-N 3.18Å; F550-I554 HydrophobicContact CD1-CD1 4.19Å; F550-I554 HydrophobicContact CD2-CD1 3.54Å; F550-I554 HydrophobicContact CE1-CD1 3.94Å; F550-I554 HydrophobicContact CE2-CD1 3.26Å; F550-I554 HydrophobicContact CG-CD1 4.01Å; F550-I554 HydrophobicContact CZ-CD1 3.48Å; F550-I554 VanDerWaalsContact CZ-CD1 3.48Å; F550-I554 WeakPolarHBondContact O-CB 3.35Å; F550-I554 PolarHBondContact O-N 3.07Å; F550-I627 HydrophobicContact CE1-CG1 4.28Å; F550-F1777 HydrophobicContact CB-CE1 4.28Å; F550-F1777 HydrophobicContact CB-CZ 4.4Å; F550-F1777 HydrophobicContact CD2-CE1 4.18Å; F550-F1777 AromaticContact CD2-CZ 3.87Å; F550-F1777 HydrophobicContact CD2-CZ 3.87Å; F550-F1777 HydrophobicContact CG-CZ 4.41Å
551L77.8Confident77.1Confident5 Ų530.5 Ų30.53%0.02615%0.147CC..Hα-helixtrans-68.3-34.5-176.5-136.1167.6000110.9D548 K555 I627 L713 E716D548-L551 HydrophobicContact CB-CB 4.26Å; D548-L551 WeakPolarHBondContact OD1-CB 3.42Å; D548-L551 PolarHBondContact OD1-N 3.14Å; L551-K555 HydrophobicContact CD2-CB 4.34Å; L551-K555 VanDerWaalsContact O-CB 3.24Å; L551-K555 WeakPolarHBondContact O-CB 3.17Å; L551-K555 WeakPolarHBondContact O-CG 3.44Å; L551-K555 PolarHBondContact O-N 2.96Å; L551-I627 WeakPolarHBondContact CD1-O 3.16Å; L551-L713 HydrophobicContact CD2-CB 4.38Å; L551-L713 HydrophobicContact CD2-CD2 3.91Å; L551-E716 HydrophobicContact CD1-CB 4.39Å; L551-E716 HydrophobicContact CD1-CG 3.66Å
552N72.4Confident76.7Confident60 Ų6030.3 Ų30.332%0.32115%0.146SC..Hα-helixtrans-66.8-37.3175.1-86.2-67.2000114D548 E549 F550 K555D548-N552 WeakPolarHBondContact O-CB 3.2Å; D548-N552 PolarHBondContact O-N 2.99Å; D548-N552 PolarHBondContact O-ND2 2.62Å; E549-N552 PolarHBondContact O-N 3.11Å; F550-N552 VanDerWaalsContact C-N 3.32Å; F550-N552 PolarHBondContact O-N 2.63Å; N552-K555 PolarHBondContact OD1-NZ 3.46Å
553K72.5Confident76.9Confident91 Ų9129.8 Ų29.840%0.39614%0.143SC..Hα-helixtrans-69.6-50.4171.6-72.6178.3178.9-179.10111.5E549 F550 D1776 F1777E549-K553 WeakPolarHBondContact O-CG 3.43Å; E549-K553 PolarHBondContact O-N 3.39Å; F550-K553 PolarHBondContact O-N 3.18Å; K553-D1776 PolarHBondContact NZ-O 2.72Å; K553-F1777 HydrophobicContact CB-CZ 4.23Å; K553-F1777 HydrophobicContact CD-CD1 4.45Å; K553-F1777 HydrophobicContact CD-CE1 3.89Å; K553-F1777 HydrophobicContact CD-CE2 4.48Å; K553-F1777 HydrophobicContact CD-CZ 3.9Å
554I78Confident76.7Confident8 Ų829.9 Ų29.94%0.04114%0.142CC..Hα-helixtrans-79.7-23.8-166.1-76.2169000114.2L55 F550 K556 L557 L558 F1777L55-I554 HydrophobicContact CD2-CD1 4.21Å; F550-I554 HydrophobicContact CD1-CD1 4.19Å; F550-I554 HydrophobicContact CD2-CD1 3.54Å; F550-I554 HydrophobicContact CE1-CD1 3.94Å; F550-I554 HydrophobicContact CE2-CD1 3.26Å; F550-I554 HydrophobicContact CG-CD1 4.01Å; F550-I554 HydrophobicContact CZ-CD1 3.48Å; F550-I554 VanDerWaalsContact CZ-CD1 3.48Å; F550-I554 WeakPolarHBondContact O-CB 3.35Å; F550-I554 PolarHBondContact O-N 3.07Å; I554-K556 PolarHBondContact O-N 3.15Å; I554-L557 PolarHBondContact O-N 3.11Å; I554-L558 HydrophobicContact CG2-CB 3.71Å; I554-L558 HydrophobicContact CG2-CD2 4.32Å; I554-L558 PolarHBondContact O-N 2.69Å; I554-F1777 HydrophobicContact CD1-CE2 3.77Å; I554-F1777 HydrophobicContact CD1-CZ 3.76Å; I554-F1777 HydrophobicContact CG1-CE2 4.11Å; I554-F1777 HydrophobicContact CG1-CZ 4.14Å
555K78.7Confident76.7Confident24 Ų2428 Ų2810%0.10413%0.129CC..THydrogen-bonded Turntrans-54.9-27.5-170.861.2-166.5-176.8-171.20116.4L551 N552 P559 Y710 L713 S717L551-K555 HydrophobicContact CD2-CB 4.34Å; L551-K555 VanDerWaalsContact O-CB 3.24Å; L551-K555 WeakPolarHBondContact O-CB 3.17Å; L551-K555 WeakPolarHBondContact O-CG 3.44Å; L551-K555 PolarHBondContact O-N 2.96Å; N552-K555 PolarHBondContact OD1-NZ 3.46Å; K555-P559 WeakPolarHBondContact O-CD 3.28Å; K555-Y710 HydrophobicContact CG-CE2 4.49Å; K555-Y710 WeakPolarHBondContact O-CD2 3.35Å; K555-L713 HydrophobicContact CB-CB 3.89Å; K555-S717 PolarHBondContact NZ-OG 3.46Å
556K74.8Confident77.2Confident76 Ų7627.3 Ų27.333%0.3313%0.127SC..THydrogen-bonded Turntrans-84-24.8174.4-68.3-161.2175.2-157.40114.2I554 L683 Y710I554-K556 PolarHBondContact O-N 3.15Å; K556-L683 WeakPolarHBondContact CE-O 3Å; K556-L683 PolarHBondContact NZ-O 3.1Å; K556-Y710 HydrophobicContact CG-CE2 3.9Å
557L74.2Confident77.5Confident30 Ų3025.1 Ų25.116%0.15712%0.117CC..THydrogen-bonded Turntrans-92.6-36.6-175.1-159.474.8000111.9I554 Q560 L561 I1773I554-L557 PolarHBondContact O-N 3.11Å; L557-Q560 WeakPolarHBondContact O-CB 3.48Å; L557-Q560 PolarHBondContact O-N 3.45Å; L557-L561 HydrophobicContact CD2-CD1 3.97Å; L557-L561 HydrophobicContact CG-CD1 3.94Å; L557-L561 HydrophobicContact CG-CG 4.12Å; L557-L561 WeakPolarHBondContact O-CG 3.45Å; L557-L561 PolarHBondContact O-N 2.95Å; L557-I1773 HydrophobicContact CD2-CD1 4.42Å; L557-I1773 HydrophobicContact CD2-CG1 3.81Å
558L79.5Confident77.7Confident1 Ų121.9 Ų21.91%0.00510%0.104CC..Hα-helixtrans-56-45-177.3177.853.9000114.5L55 I554 Q560 L561 L562 I627 L709 L713L55-L558 HydrophobicContact CD1-CD1 3.46Å; L55-L558 VanDerWaalsContact CD1-CD1 3.46Å; I554-L558 HydrophobicContact CG2-CB 3.71Å; I554-L558 HydrophobicContact CG2-CD2 4.32Å; I554-L558 PolarHBondContact O-N 2.69Å; L558-Q560 VanDerWaalsContact C-N 3.26Å; L558-Q560 PolarHBondContact O-N 2.76Å; L558-L561 PolarHBondContact O-N 2.91Å; L558-L562 HydrophobicContact CD1-CD1 4.32Å; L558-L562 WeakPolarHBondContact O-CB 3.45Å; L558-L562 PolarHBondContact O-N 2.56Å; L558-I627 HydrophobicContact CD2-CG2 3.98Å; L558-L709 HydrophobicContact CG-CD2 4.47Å; L558-L713 HydrophobicContact CB-CD1 4.01Å; L558-L713 HydrophobicContact CD2-CD1 3.84Å; L558-L713 HydrophobicContact CD2-CD2 3.87Å; L558-L713 HydrophobicContact CG-CD1 4.04Å
559P79.7Confident78Confident0 Ų021.4 Ų21.40%010%0.101CC..Hα-helixtrans-61.8-33.8176.2-21.733.6000113.3K555 L563 L709 L713K555-P559 WeakPolarHBondContact O-CD 3.28Å; P559-L563 VanDerWaalsContact O-CG 3.29Å; P559-L563 WeakPolarHBondContact O-CG 3.38Å; P559-L563 PolarHBondContact O-N 3.32Å; P559-L709 HydrophobicContact CB-CB 4.37Å; P559-L709 HydrophobicContact CB-CD2 4.3Å; P559-L709 HydrophobicContact CG-CB 4.34Å; P559-L709 HydrophobicContact CG-CD2 4.29Å; P559-L713 HydrophobicContact CG-CD1 3.97Å
560Q76.4Confident78.6Confident8 Ų817 Ų174%0.0378%0.081CC..Hα-helixtrans-70.5-45.6178-67.9176.81500111.6L557 L558 L563 L564 Y676 I679 L683L557-Q560 WeakPolarHBondContact O-CB 3.48Å; L557-Q560 PolarHBondContact O-N 3.45Å; L558-Q560 VanDerWaalsContact C-N 3.26Å; L558-Q560 PolarHBondContact O-N 2.76Å; Q560-L563 PolarHBondContact O-N 2.96Å; Q560-L564 PolarHBondContact O-N 3.4Å; Q560-Y676 HydrophobicContact CB-CE2 4.1Å; Q560-Y676 WeakPolarHBondContact CB-OH 3.34Å; Q560-Y676 HydrophobicContact CG-CE2 4.25Å; Q560-Y676 PolarHBondContact OE1-OH 3.26Å; Q560-I679 HydrophobicContact CG-CG2 4.07Å; Q560-L683 HydrophobicContact CG-CD1 4.37Å
561L74.4Confident78.6Confident8 Ų817.5 Ų17.54%0.0428%0.083CC..Hα-helixtrans-62.9-44.5178.3-65.5168.3000112.1I51 L557 L558 L563 L564 M1769 I1773I51-L561 HydrophobicContact CD1-CB 4.26Å; I51-L561 HydrophobicContact CD1-CD2 4.46Å; I51-L561 HydrophobicContact CG2-CB 4.06Å; L557-L561 HydrophobicContact CD2-CD1 3.97Å; L557-L561 HydrophobicContact CG-CD1 3.94Å; L557-L561 HydrophobicContact CG-CG 4.12Å; L557-L561 WeakPolarHBondContact O-CG 3.45Å; L557-L561 PolarHBondContact O-N 2.95Å; L558-L561 PolarHBondContact O-N 2.91Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 3.42Å; L561-L564 PolarHBondContact O-N 2.97Å; L561-L564 VanDerWaalsContact O-N 3.16Å; L561-M1769 HydrophobicContact CD2-CB 3.67Å; L561-M1769 HydrophobicContact CD2-CG 3.55Å; L561-M1769 HydrophobicContact CD2-SD 3.8Å; L561-I1773 HydrophobicContact CD1-CD1 3.81Å
562L80Confident78.8Confident1 Ų117.6 Ų17.61%0.0058%0.084CC..Hα-helixtrans-74.9-19.9-174.6-155.7139.6000112.8P52 L558 T565 I618 L622 L640 F705P52-L562 HydrophobicContact CG-CD1 4.49Å; L558-L562 HydrophobicContact CD1-CD1 4.32Å; L558-L562 WeakPolarHBondContact O-CB 3.45Å; L558-L562 PolarHBondContact O-N 2.56Å; L562-T565 PolarHBondContact O-OG1 3.13Å; L562-I618 HydrophobicContact CD1-CG2 4.43Å; L562-L622 HydrophobicContact CD1-CD1 4.14Å; L562-L640 HydrophobicContact CD2-CD2 3.87Å; L562-F705 HydrophobicContact CD2-CE1 4.01Å; L562-F705 HydrophobicContact CD2-CZ 3.85Å
563L83.2Confident79.4Confident0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-71-37.8166.3-80.7172.4000113P559 Q560 L561 T565 W566 Y643 Y672 Y676 I679 Q702 F705P559-L563 VanDerWaalsContact O-CG 3.29Å; P559-L563 WeakPolarHBondContact O-CG 3.38Å; P559-L563 PolarHBondContact O-N 3.32Å; Q560-L563 PolarHBondContact O-N 2.96Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 3.42Å; L563-T565 VanDerWaalsContact C-N 3.31Å; L563-T565 PolarHBondContact O-N 3.36Å; L563-W566 PolarHBondContact O-N 2.91Å; L563-Y643 HydrophobicContact CD2-CE1 3.81Å; L563-Y643 HydrophobicContact CD2-CE2 4.01Å; L563-Y643 WeakPolarHBondContact CD2-OH 3.19Å; L563-Y672 PolarHBondContact O-OH 3.22Å; L563-Y676 HydrophobicContact CD1-CD2 4.17Å; L563-Y676 HydrophobicContact CD1-CE2 4.46Å; L563-I679 HydrophobicContact CD1-CD1 3.36Å; L563-Q702 HydrophobicContact CD1-CB 4.11Å; L563-Q702 HydrophobicContact CD2-CB 3.9Å; L563-Q702 HydrophobicContact CD2-CG 4.07Å; L563-F705 HydrophobicContact CD2-CD1 3.66Å; L563-F705 HydrophobicContact CD2-CE1 4.36Å; L563-F705 HydrophobicContact CG-CD1 4.04Å; L563-F705 HydrophobicContact CG-CE1 4.47Å
564L73.4Confident80.1Confident13 Ų1310.6 Ų10.67%0.0685%0.051CC..Hα-helixtrans-70.4-28-169.9-164145.7000112.4Q560 L561 W566 I567 F673 L1645 L1762 S1765Q560-L564 PolarHBondContact O-N 3.4Å; L561-L564 PolarHBondContact O-N 2.97Å; L561-L564 VanDerWaalsContact O-N 3.16Å; L564-W566 VanDerWaalsContact C-N 3.35Å; L564-W566 PolarHBondContact O-N 2.56Å; L564-I567 VanDerWaalsContact O-CG2 3.27Å; L564-I567 WeakPolarHBondContact O-CG2 3.5Å; L564-F673 HydrophobicContact CD1-CE1 3.97Å; L564-F673 HydrophobicContact CD1-CZ 3.89Å; L564-F673 HydrophobicContact CG-CE1 4.44Å; L564-F673 HydrophobicContact CG-CZ 4.03Å; L564-L1645 HydrophobicContact CD1-CD1 4.36Å; L564-L1762 HydrophobicContact CD2-CD2 4.34Å; L564-S1765 WeakPolarHBondContact CD2-OG 3.33Å
565T79.4Confident80.3Confident1 Ų110.4 Ų10.41%0.0065%0.05CC..THydrogen-bonded Turntrans-69.1-27.3179.963.80000114.1I51 L562 L563 I567I51-T565 HydrophobicContact CB-CG2 4.21Å; I51-T565 HydrophobicContact CD1-CG2 3.64Å; I51-T565 HydrophobicContact CG1-CG2 3.93Å; L562-T565 PolarHBondContact O-OG1 3.13Å; L563-T565 VanDerWaalsContact C-N 3.31Å; L563-T565 PolarHBondContact O-N 3.36Å; T565-I567 VanDerWaalsContact C-N 3.29Å; T565-I567 PolarHBondContact O-N 2.9Å
566W85.5Confident80.6Confident4 Ų49.8 Ų9.82%0.0155%0.047CC..THydrogen-bonded Turntrans-76.9-10.3-176.5-70.9105.8000114.6P48 L563 L564 L568 N569 A570 V611 I614 I618 Y643 I644 I647 Y672P48-W566 HydrophobicContact CB-CH2 4.07Å; P48-W566 HydrophobicContact CB-CZ2 4.12Å; P48-W566 HydrophobicContact CB-CZ3 4.41Å; P48-W566 HydrophobicContact CG-CE3 4.24Å; P48-W566 HydrophobicContact CG-CH2 4.15Å; P48-W566 HydrophobicContact CG-CZ3 3.98Å; L563-W566 PolarHBondContact O-N 2.91Å; L564-W566 VanDerWaalsContact C-N 3.35Å; L564-W566 PolarHBondContact O-N 2.56Å; W566-L568 VanDerWaalsContact C-N 3.32Å; W566-L568 PolarHBondContact O-N 3.48Å; W566-N569 HydrophobicContact CE3-CB 4.25Å; W566-N569 WeakPolarHBondContact O-CB 3.36Å; W566-N569 PolarHBondContact O-N 3.16Å; W566-N569 VanDerWaalsContact O-N 3.14Å; W566-A570 PolarHBondContact O-N 3.34Å; W566-A570 VanDerWaalsContact O-N 3.17Å; W566-V611 HydrophobicContact CH2-CG1 3.73Å; W566-V611 HydrophobicContact CZ3-CG1 3.52Å; W566-I614 HydrophobicContact CH2-CB 4.23Å; W566-I614 HydrophobicContact CH2-CG2 3.88Å; W566-I618 HydrophobicContact CH2-CD1 4.34Å; W566-I618 HydrophobicContact CZ2-CD1 3.72Å; W566-Y643 AromaticContact CD1-CE1 3.99Å; W566-Y643 HydrophobicContact CG-CE1 4.46Å; W566-I644 HydrophobicContact CD2-CD1 4.43Å; W566-I644 HydrophobicContact CE3-CD1 4.41Å; W566-I644 HydrophobicContact CE3-CG1 4.48Å; W566-I644 HydrophobicContact CH2-CD1 3.68Å; W566-I644 HydrophobicContact CZ2-CD1 3.65Å; W566-I644 HydrophobicContact CZ3-CD1 4.07Å; W566-I644 HydrophobicContact CZ3-CG1 4.49Å; W566-I647 HydrophobicContact CB-CD1 4.13Å; W566-I647 HydrophobicContact CG-CD1 4.24Å; W566-Y672 WeakPolarHBondContact CB-OH 3.25Å
567I82Confident81.1Confident4 Ų46.2 Ų6.22%0.0213%0.031CC..Hα-helixtrans-60.5-38.7-175.7-164.9175.9000113.2L564 T565 N569 A570 M571 Y672 F673 L1762L564-I567 VanDerWaalsContact O-CG2 3.27Å; L564-I567 WeakPolarHBondContact O-CG2 3.5Å; T565-I567 VanDerWaalsContact C-N 3.29Å; T565-I567 PolarHBondContact O-N 2.9Å; I567-N569 VanDerWaalsContact C-N 3.3Å; I567-N569 PolarHBondContact O-N 3.19Å; I567-A570 PolarHBondContact O-N 3.48Å; I567-M571 HydrophobicContact CD1-SD 4.07Å; I567-M571 HydrophobicContact CG1-CG 4.18Å; I567-M571 HydrophobicContact CG1-SD 3.78Å; I567-M571 VanDerWaalsContact O-CG 3.28Å; I567-M571 WeakPolarHBondContact O-CG 3.48Å; I567-M571 PolarHBondContact O-N 3.49Å; I567-Y672 HydrophobicContact CB-CD1 3.89Å; I567-Y672 HydrophobicContact CB-CE1 3.84Å; I567-Y672 HydrophobicContact CD1-CD1 3.9Å; I567-Y672 HydrophobicContact CD1-CG 4.46Å; I567-Y672 HydrophobicContact CG1-CD1 3.69Å; I567-Y672 HydrophobicContact CG1-CE1 4.18Å; I567-Y672 HydrophobicContact CG1-CG 4.05Å; I567-F673 HydrophobicContact CD1-CD2 3.38Å; I567-F673 HydrophobicContact CD1-CE2 3.25Å; I567-F673 HydrophobicContact CD1-CG 4.5Å; I567-F673 HydrophobicContact CD1-CZ 4.31Å; I567-L1762 HydrophobicContact CG2-CD2 4.09Å
568L78.5Confident81.6Confident15 Ų154.8 Ų4.88%0.0792%0.023CC..Hα-helixtrans-60.6-41178.3175.9148000111.4A43 E44 V47 W566 M571 L572 I1758 L1762A43-L568 HydrophobicContact CB-CD1 4.34Å; E44-L568 HydrophobicContact CB-CD2 4.48Å; E44-L568 HydrophobicContact CG-CD2 4.08Å; V47-L568 HydrophobicContact CG2-CD1 4.18Å; W566-L568 VanDerWaalsContact C-N 3.32Å; W566-L568 PolarHBondContact O-N 3.48Å; L568-M571 PolarHBondContact O-N 3.07Å; L568-L572 HydrophobicContact CD2-CD1 3.61Å; L568-L572 HydrophobicContact CG-CD1 4.07Å; L568-L572 WeakPolarHBondContact O-CB 3.3Å; L568-L572 WeakPolarHBondContact O-CG 3.47Å; L568-L572 PolarHBondContact O-N 3.05Å; L568-I1758 HydrophobicContact CB-CG2 4.26Å; L568-I1758 HydrophobicContact CD1-CG2 3.91Å; L568-I1758 HydrophobicContact CG-CG2 4.29Å; L568-L1762 HydrophobicContact CB-CD1 4.23Å; L568-L1762 HydrophobicContact CD1-CD1 3.86Å
569N82.8Confident81.6Confident6 Ų66.4 Ų6.43%0.0323%0.031CC..Hα-helixtrans-64.4-44.6175.9-77.3-48.2000111E44 W566 I567 M571 L572 I573E44-N569 WeakPolarHBondContact CA-OD1 3.35Å; E44-N569 WeakPolarHBondContact CB-OD1 3.39Å; E44-N569 VanDerWaalsContact CG-OD1 3.22Å; E44-N569 WeakPolarHBondContact CG-OD1 3.39Å; E44-N569 PolarHBondContact O-ND2 3.05Å; E44-N569 VanDerWaalsContact O-ND2 3.1Å; E44-N569 PolarHBondContact O-OD1 2.91Å; W566-N569 HydrophobicContact CE3-CB 4.25Å; W566-N569 WeakPolarHBondContact O-CB 3.36Å; W566-N569 PolarHBondContact O-N 3.16Å; W566-N569 VanDerWaalsContact O-N 3.14Å; I567-N569 VanDerWaalsContact C-N 3.3Å; I567-N569 PolarHBondContact O-N 3.19Å; N569-M571 PolarHBondContact O-N 3.37Å; N569-L572 PolarHBondContact O-N 2.86Å; N569-I573 WeakPolarHBondContact O-CB 3.29Å; N569-I573 WeakPolarHBondContact O-CD1 3.47Å; N569-I573 WeakPolarHBondContact O-CG1 3.16Å; N569-I573 PolarHBondContact O-N 2.82Å
570A85.9Confident81.7Confident0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-61.7-41.2177.200000113.3W566 I567 T574 I647 C651 Y672W566-A570 PolarHBondContact O-N 3.34Å; W566-A570 VanDerWaalsContact O-N 3.17Å; I567-A570 PolarHBondContact O-N 3.48Å; A570-T574 PolarHBondContact O-N 2.89Å; A570-T574 PolarHBondContact O-OG1 3.46Å; A570-I647 HydrophobicContact CB-CG2 4.08Å; A570-C651 VanDerWaalsContact CA-SG 3.52Å; A570-Y672 HydrophobicContact CB-CD2 4.21Å; A570-Y672 HydrophobicContact CB-CE2 4.41Å
571M82.6Confident81.9Confident12 Ų128.6 Ų8.66%0.0594%0.041CC..Hα-helixtrans-73.1-34.8-179.9-64.5176.378.800112.7I567 L568 N569 T574 K575 A665 I1758I567-M571 HydrophobicContact CD1-SD 4.07Å; I567-M571 HydrophobicContact CG1-CG 4.18Å; I567-M571 HydrophobicContact CG1-SD 3.78Å; I567-M571 VanDerWaalsContact O-CG 3.28Å; I567-M571 WeakPolarHBondContact O-CG 3.48Å; I567-M571 PolarHBondContact O-N 3.49Å; L568-M571 PolarHBondContact O-N 3.07Å; N569-M571 PolarHBondContact O-N 3.37Å; M571-T574 PolarHBondContact O-OG1 3.26Å; M571-T574 VanDerWaalsContact O-OG1 3.1Å; M571-K575 WeakPolarHBondContact O-CB 3.49Å; M571-K575 PolarHBondContact O-N 2.78Å; M571-K575 VanDerWaalsContact O-N 3.12Å; M571-A665 HydrophobicContact CB-CB 4.35Å; M571-A665 VanDerWaalsContact CE-O 3.25Å; M571-A665 WeakPolarHBondContact CE-O 3.37Å; M571-A665 WeakPolarHBondContact CG-O 3.44Å; M571-A665 WeakPolarHBondContact O-CB 3.11Å; M571-I1758 HydrophobicContact CB-CD1 3.71Å; M571-I1758 HydrophobicContact CE-CD1 3.78Å; M571-I1758 HydrophobicContact CE-CG1 3.5Å; M571-I1758 HydrophobicContact CG-CD1 4.32Å; M571-I1758 HydrophobicContact SD-CD1 3.67Å; M571-I1758 HydrophobicContact SD-CG1 3.51Å; M571-I1758 VanDerWaalsContact SD-CG1 3.51Å
572L80.8Confident82Confident7 Ų711.3 Ų11.34%0.0375%0.053CC..Hα-helixtrans-74.1-39.7175.5-71.5177000112.4F40 E44 L568 N569 T574 K575 Y576F40-L572 HydrophobicContact CD1-CD1 4.34Å; F40-L572 HydrophobicContact CD1-CD2 3.99Å; F40-L572 HydrophobicContact CE1-CD2 4.37Å; E44-L572 HydrophobicContact CG-CD1 3.63Å; L568-L572 HydrophobicContact CD2-CD1 3.61Å; L568-L572 HydrophobicContact CG-CD1 4.07Å; L568-L572 WeakPolarHBondContact O-CB 3.3Å; L568-L572 WeakPolarHBondContact O-CG 3.47Å; L568-L572 PolarHBondContact O-N 3.05Å; N569-L572 PolarHBondContact O-N 2.86Å; L572-T574 PolarHBondContact O-N 3.5Å; L572-K575 HydrophobicContact CD2-CD 4.42Å; L572-K575 WeakPolarHBondContact O-CB 3.49Å; L572-K575 PolarHBondContact O-N 3.03Å; L572-Y576 HydrophobicContact CB-CE2 3.96Å; L572-Y576 WeakPolarHBondContact O-CD2 3.44Å; L572-Y576 VanDerWaalsContact O-CG 3.29Å; L572-Y576 PolarHBondContact O-N 3.25Å
573I86.1Confident81.8Confident5 Ų515.1 Ų15.13%0.0267%0.074CC..Hα-helixtrans-58.9-48.8175.8-69.5167.4000110.9N569 Y576 I577 T607 I648 C651N569-I573 WeakPolarHBondContact O-CB 3.29Å; N569-I573 WeakPolarHBondContact O-CD1 3.47Å; N569-I573 WeakPolarHBondContact O-CG1 3.16Å; N569-I573 PolarHBondContact O-N 2.82Å; I573-Y576 PolarHBondContact O-N 3.3Å; I573-I577 HydrophobicContact CG2-CD1 3.85Å; I573-I577 WeakPolarHBondContact O-CG1 3.25Å; I573-I577 PolarHBondContact O-N 3.28Å; I573-T607 HydrophobicContact CD1-CG2 3.85Å; I573-T607 HydrophobicContact CG1-CG2 3.72Å; I573-T607 HydrophobicContact CG2-CG2 4.13Å; I573-I648 HydrophobicContact CD1-CG1 4.48Å; I573-C651 HydrophobicContact CB-CB 4.44Å; I573-C651 HydrophobicContact CG2-CB 3.85Å
574T87.1Confident81.5Confident0 Ų021.9 Ų21.90%010%0.1CC..Hα-helixtrans-64.4-39.9177.647.70000112.7A570 M571 L572 V578 C651 C654 T668A570-T574 PolarHBondContact O-N 2.89Å; A570-T574 PolarHBondContact O-OG1 3.46Å; M571-T574 PolarHBondContact O-OG1 3.26Å; M571-T574 VanDerWaalsContact O-OG1 3.1Å; L572-T574 PolarHBondContact O-N 3.5Å; T574-V578 WeakPolarHBondContact O-CG2 3.17Å; T574-V578 PolarHBondContact O-N 2.77Å; T574-C651 HydrophobicContact CG2-CB 3.63Å; T574-C651 VanDerWaalsContact CG2-O 3.24Å; T574-C651 WeakPolarHBondContact CG2-O 3.42Å; T574-C654 HydrophobicContact CG2-CB 4.23Å; T574-T668 HydrophobicContact CG2-CG2 3.72Å; T574-T668 PolarHBondContact OG1-OG1 2.85Å
575K82.5Confident81.9Confident4 Ų422 Ų222%0.01710%0.101CC..Hα-helixtrans-55.4-54172.8-174.8-177.6169-174.90111.8M571 L572 I577 V578 E579 S661 N662 A665M571-K575 WeakPolarHBondContact O-CB 3.49Å; M571-K575 PolarHBondContact O-N 2.78Å; M571-K575 VanDerWaalsContact O-N 3.12Å; L572-K575 HydrophobicContact CD2-CD 4.42Å; L572-K575 WeakPolarHBondContact O-CB 3.49Å; L572-K575 PolarHBondContact O-N 3.03Å; K575-I577 PolarHBondContact O-N 2.75Å; K575-V578 PolarHBondContact O-N 2.83Å; K575-E579 VanDerWaalsContact O-CB 3.31Å; K575-E579 WeakPolarHBondContact O-CB 3.47Å; K575-E579 PolarHBondContact O-N 3.33Å; K575-S661 WeakPolarHBondContact O-CB 3.35Å; K575-N662 VanDerWaalsContact CE-OD1 3.25Å; K575-N662 WeakPolarHBondContact CE-OD1 3.42Å; K575-A665 HydrophobicContact CB-CB 4.13Å
576Y83.1Confident81.8Confident11 Ų1122.9 Ų22.94%0.04310%0.104CC..Hα-helixtrans-63.7-39.3-175-59.5-46000113F40 L572 I573 V578 E579 E580F40-Y576 WeakPolarHBondContact CB-OH 3.29Å; L572-Y576 HydrophobicContact CB-CE2 3.96Å; L572-Y576 WeakPolarHBondContact O-CD2 3.44Å; L572-Y576 VanDerWaalsContact O-CG 3.29Å; L572-Y576 PolarHBondContact O-N 3.25Å; I573-Y576 PolarHBondContact O-N 3.3Å; Y576-V578 VanDerWaalsContact C-N 3.3Å; Y576-V578 PolarHBondContact O-N 2.93Å; Y576-E579 PolarHBondContact O-N 2.84Å; Y576-E580 PolarHBondContact O-N 2.67Å
577I86.1Confident81.3Confident0 Ų025.8 Ų25.80%012%0.118CC..Hα-helixtrans-64.8-36.1178.7-67.3166.2000111.4I573 K575 W600 W603 F652I573-I577 HydrophobicContact CG2-CD1 3.85Å; I573-I577 WeakPolarHBondContact O-CG1 3.25Å; I573-I577 PolarHBondContact O-N 3.28Å; K575-I577 PolarHBondContact O-N 2.75Å; I577-W600 HydrophobicContact CD1-CZ3 4.48Å; I577-W600 HydrophobicContact CG2-CH2 4.22Å; I577-W600 HydrophobicContact CG2-CZ3 4.01Å; I577-W603 HydrophobicContact CD1-CG 4.48Å; I577-W603 HydrophobicContact CG1-CD2 3.83Å; I577-W603 HydrophobicContact CG1-CE3 4.22Å; I577-W603 HydrophobicContact CG1-CG 3.99Å; I577-F652 HydrophobicContact CD1-CD1 3.59Å; I577-F652 HydrophobicContact CD1-CE1 3.59Å
578V84.7Confident81.2Confident0 Ų026 Ų260%012%0.119CC..Hα-helixtrans-86.7-22.2178.5-177.30000111.8T574 K575 Y576 E580 K581 E582 S655 F658 S661T574-V578 WeakPolarHBondContact O-CG2 3.17Å; T574-V578 PolarHBondContact O-N 2.77Å; K575-V578 PolarHBondContact O-N 2.83Å; Y576-V578 VanDerWaalsContact C-N 3.3Å; Y576-V578 PolarHBondContact O-N 2.93Å; V578-E580 VanDerWaalsContact C-N 3.3Å; V578-E580 PolarHBondContact O-N 3.44Å; V578-K581 HydrophobicContact CG2-CD 4.46Å; V578-K581 WeakPolarHBondContact O-CA 3.34Å; V578-K581 WeakPolarHBondContact O-CB 3.25Å; V578-K581 PolarHBondContact O-N 3.38Å; V578-E582 WeakPolarHBondContact O-CB 3.26Å; V578-E582 PolarHBondContact O-N 2.84Å; V578-S655 VanDerWaalsContact CG2-O 3.3Å; V578-S655 WeakPolarHBondContact CG2-O 3.28Å; V578-F658 WeakPolarHBondContact CG1-O 3.5Å; V578-S661 VanDerWaalsContact CG1-CA 3.48Å
579E80.5Confident81.2Confident35 Ų3525.6 Ų25.616%0.16412%0.117CC..Hα-helixtrans-61.9-37.6169.7-168.9175.2-176.100110.7R37 K575 Y576 K581 N583R37-E579 IonicContact CZ-OE1 3.83Å; R37-E579 IonicContact CZ-OE2 2.61Å; R37-E579 IonicContact NH1-OE1 3.02Å; R37-E579 PolarHBondContact NH1-OE1 2.9Å; R37-E579 IonicContact NH1-OE2 2.75Å; R37-E579 PolarHBondContact NH1-OE2 3.33Å; R37-E579 IonicContact NH2-OE1 3.94Å; R37-E579 PolarHBondContact NH2-OE1 2.81Å; R37-E579 IonicContact NH2-OE2 2.69Å; K575-E579 VanDerWaalsContact O-CB 3.31Å; K575-E579 WeakPolarHBondContact O-CB 3.47Å; K575-E579 PolarHBondContact O-N 3.33Å; Y576-E579 PolarHBondContact O-N 2.84Å; E579-K581 VanDerWaalsContact C-N 3.29Å; E579-K581 PolarHBondContact O-N 2.95Å; E579-N583 WeakPolarHBondContact O-CB 3.36Å; E579-N583 PolarHBondContact O-N 3.04Å
580E81.9Confident80.7Confident12 Ų1226.5 Ų26.56%0.05612%0.12CC..Hα-helixtrans-69.2-21170.4-66-159.3134.800114.5K29 Y576 V578 I585 K586 H599 W603K29-E580 IonicContact NZ-OE1 2.68Å; K29-E580 PolarHBondContact NZ-OE1 2.8Å; K29-E580 IonicContact NZ-OE2 2.69Å; Y576-E580 PolarHBondContact O-N 2.67Å; V578-E580 VanDerWaalsContact C-N 3.3Å; V578-E580 PolarHBondContact O-N 3.44Å; E580-I585 HydrophobicContact CB-CB 4.46Å; E580-I585 PolarHBondContact O-N 2.94Å; E580-I585 VanDerWaalsContact O-N 3.14Å; E580-K586 PolarHBondContact O-N 2.73Å; E580-H599 IonicContact OE2-CD2 2.67Å; E580-H599 IonicContact OE2-CE1 3.9Å; E580-H599 IonicContact OE2-NE2 3.72Å; E580-H599 PolarHBondContact OE2-NE2 3.24Å; E580-W603 HydrophobicContact CG-CZ2 4.19Å; E580-W603 PolarHBondContact OE2-NE1 3.02Å
581K78.7Confident80.1Confident43 Ų4326.9 Ų26.919%0.18712%0.123CC..Hα-helixtrans-83.3-45.4173.7-64.3178.7-177.7179.80111.2V578 E579 N583 Y584 K586 S655V578-K581 HydrophobicContact CG2-CD 4.46Å; V578-K581 WeakPolarHBondContact O-CA 3.34Å; V578-K581 WeakPolarHBondContact O-CB 3.25Å; V578-K581 PolarHBondContact O-N 3.38Å; E579-K581 VanDerWaalsContact C-N 3.29Å; E579-K581 PolarHBondContact O-N 2.95Å; K581-N583 PolarHBondContact O-N 3.41Å; K581-Y584 PolarHBondContact O-N 3Å; K581-K586 HydrophobicContact CG-CD 4.36Å; K581-S655 PolarHBondContact NZ-O 3.04Å
582E78.5Confident79.7Confident65 Ų6527.1 Ų27.130%0.30412%0.124SC..Hα-helixtrans-61.6-34.1-179-167162.4-163.100111.5V578 S661V578-E582 WeakPolarHBondContact O-CB 3.26Å; V578-E582 PolarHBondContact O-N 2.84Å; E582-S661 VanDerWaalsContact OE2-CB 3.22Å; E582-S661 WeakPolarHBondContact OE2-CB 3.44Å; E582-S661 PolarHBondContact OE2-N 3.32Å; E582-S661 PolarHBondContact OE2-OG 2.87Å
583N75.8Confident79.2Confident81 Ų8127.8 Ų27.843%0.43313%0.132SC..THydrogen-bonded Turntrans-89.19.9175.2-64.8-8.6000114.1E579 K581 I585E579-N583 WeakPolarHBondContact O-CB 3.36Å; E579-N583 PolarHBondContact O-N 3.04Å; K581-N583 PolarHBondContact O-N 3.41Å; N583-I585 HydrophobicContact CB-CD1 3.89Å; N583-I585 HydrophobicContact CB-CG1 3.98Å; N583-I585 PolarHBondContact O-N 3.03Å
584Y76.7Confident78.7Confident142 Ų14227.8 Ų27.856%0.55713%0.132SC*.SBendtrans56.35.4-176-64.6-89.2000116.9K581 K586 E587 F588K581-Y584 PolarHBondContact O-N 3Å; Y584-K586 VanDerWaalsContact C-N 3.28Å; Y584-K586 PolarHBondContact O-N 2.9Å; Y584-E587 PolarHBondContact O-N 2.88Å; Y584-F588 PolarHBondContact O-N 3.14Å
585I80.5Confident78.1Confident15 Ų1529.8 Ų29.88%0.07714%0.144CC..Hα-helixtrans-55.4-40.2178.6-66.2172.4000111.6E580 N583 E587 F588 T589 I908 F910E580-I585 HydrophobicContact CB-CB 4.46Å; E580-I585 PolarHBondContact O-N 2.94Å; E580-I585 VanDerWaalsContact O-N 3.14Å; N583-I585 HydrophobicContact CB-CD1 3.89Å; N583-I585 HydrophobicContact CB-CG1 3.98Å; N583-I585 PolarHBondContact O-N 3.03Å; I585-E587 VanDerWaalsContact C-N 3.27Å; I585-E587 PolarHBondContact O-N 2.87Å; I585-F588 PolarHBondContact O-N 3.08Å; I585-T589 HydrophobicContact CG2-CG2 4.48Å; I585-T589 WeakPolarHBondContact O-CB 3.24Å; I585-T589 WeakPolarHBondContact O-CG2 3.29Å; I585-T589 PolarHBondContact O-N 3.32Å; I585-T589 PolarHBondContact O-OG1 3.48Å; I585-I908 HydrophobicContact CG1-CG2 3.8Å; I585-F910 HydrophobicContact CD1-CD1 4.09Å; I585-F910 HydrophobicContact CD1-CE1 4.21Å; I585-F910 HydrophobicContact CG2-CD1 4.26Å; I585-F910 HydrophobicContact CG2-CE1 3.36Å; I585-F910 HydrophobicContact CG2-CZ 3.6Å
586K78.1Confident77.8Confident20 Ų2031.3 Ų31.39%0.08715%0.153CC..Hα-helixtrans-63-31.3176.4-171.3173.6-174.8173.10112.6E580 K581 Y584 T589 K590 H599 E761E580-K586 PolarHBondContact O-N 2.73Å; K581-K586 HydrophobicContact CG-CD 4.36Å; Y584-K586 VanDerWaalsContact C-N 3.28Å; Y584-K586 PolarHBondContact O-N 2.9Å; K586-T589 WeakPolarHBondContact CA-OG1 3.37Å; K586-T589 PolarHBondContact O-OG1 2.86Å; K586-K590 WeakPolarHBondContact O-CB 3.39Å; K586-K590 PolarHBondContact O-N 2.85Å; K586-H599 VanDerWaalsContact CE-ND1 3.3Å; K586-H599 WeakPolarHBondContact CE-ND1 3.24Å; K586-H599 PolarHBondContact NZ-ND1 3.03Å; K586-E761 IonicContact NZ-OE1 3.43Å; K586-E761 PolarHBondContact NZ-OE1 3.39Å; K586-E761 IonicContact NZ-OE2 3.42Å
587E75.3Confident77.6Confident65 Ų6533.3 Ų33.330%0.30417%0.166SC..Hα-helixtrans-83.4-41.6177.8-57.3-151.9147.700111.3Y584 I585 T589 K590 I591 I770Y584-E587 PolarHBondContact O-N 2.88Å; I585-E587 VanDerWaalsContact C-N 3.27Å; I585-E587 PolarHBondContact O-N 2.87Å; E587-T589 VanDerWaalsContact C-N 3.35Å; E587-T589 PolarHBondContact O-N 3.08Å; E587-K590 CarbonylContact O-C 3.49Å; E587-K590 WeakPolarHBondContact O-CA 3.26Å; E587-K590 WeakPolarHBondContact O-CB 3.48Å; E587-K590 PolarHBondContact O-N 2.81Å; E587-I591 WeakPolarHBondContact O-CG1 3.43Å; E587-I591 PolarHBondContact O-N 2.68Å; E587-I770 HydrophobicContact CB-CD1 4.22Å; E587-I770 HydrophobicContact CG-CD1 4.13Å
588F80.3Confident77.5Confident8 Ų833.3 Ų33.34%0.03517%0.166CC..Hα-helixtrans-58.9-43.7174.3-170.9-107.9000112.5Y584 I585 K590 I591 M592 Y902 P904 I908 Y922Y584-F588 PolarHBondContact O-N 3.14Å; I585-F588 PolarHBondContact O-N 3.08Å; F588-K590 VanDerWaalsContact C-N 3.3Å; F588-K590 PolarHBondContact O-N 2.95Å; F588-I591 WeakPolarHBondContact O-CB 3.43Å; F588-I591 PolarHBondContact O-N 2.99Å; F588-M592 HydrophobicContact CE1-CE 3.93Å; F588-M592 HydrophobicContact CE1-CG 4.4Å; F588-M592 HydrophobicContact CE2-CE 3.83Å; F588-M592 HydrophobicContact CZ-CE 3.35Å; F588-M592 WeakPolarHBondContact O-CG 3.39Å; F588-M592 PolarHBondContact O-N 2.91Å; F588-Y902 HydrophobicContact CD2-CD1 4.25Å; F588-Y902 AromaticContact CE2-CD1 3.93Å; F588-Y902 HydrophobicContact CE2-CD1 3.93Å; F588-P904 HydrophobicContact CD2-CG 4.35Å; F588-P904 HydrophobicContact CE2-CG 4.12Å; F588-I908 HydrophobicContact CB-CD1 4.07Å; F588-I908 HydrophobicContact CB-CG2 3.94Å; F588-I908 HydrophobicContact CD1-CG2 4.33Å; F588-I908 HydrophobicContact CD2-CD1 4.19Å; F588-I908 HydrophobicContact CG-CB 4.35Å; F588-I908 HydrophobicContact CG-CD1 4.3Å; F588-I908 HydrophobicContact CG-CG2 4.17Å; F588-Y922 HydrophobicContact CE1-CE1 4.1Å; F588-Y922 AromaticContact CE1-CZ 3.96Å; F588-Y922 WeakPolarHBondContact CE1-OH 3.33Å
589T77.5Confident77.5Confident6 Ų633.6 Ų33.64%0.03717%0.167CC..Hα-helixtrans-63.5-33.6173.147.80000112.7I585 K586 E587 M592 G593 F594I585-T589 HydrophobicContact CG2-CG2 4.48Å; I585-T589 WeakPolarHBondContact O-CB 3.24Å; I585-T589 WeakPolarHBondContact O-CG2 3.29Å; I585-T589 PolarHBondContact O-N 3.32Å; I585-T589 PolarHBondContact O-OG1 3.48Å; K586-T589 WeakPolarHBondContact CA-OG1 3.37Å; K586-T589 PolarHBondContact O-OG1 2.86Å; E587-T589 VanDerWaalsContact C-N 3.35Å; E587-T589 PolarHBondContact O-N 3.08Å; T589-M592 PolarHBondContact O-N 3.25Å; T589-G593 PolarHBondContact O-N 3.08Å; T589-F594 HydrophobicContact CG2-CD2 4.03Å; T589-F594 HydrophobicContact CG2-CE2 4.16Å; T589-F594 WeakPolarHBondContact O-CB 3.47Å; T589-F594 WeakPolarHBondContact O-CD2 3.45Å; T589-F594 PolarHBondContact O-N 3.43Å
590K72.9Confident77.8Confident25 Ų2532.5 Ų32.511%0.10916%0.162CC..Hα-helixtrans-72.1-31.9173.4-170177.1175.6-169.80112.8K586 E587 F588 G593 I770 R897K586-K590 WeakPolarHBondContact O-CB 3.39Å; K586-K590 PolarHBondContact O-N 2.85Å; E587-K590 CarbonylContact O-C 3.49Å; E587-K590 WeakPolarHBondContact O-CA 3.26Å; E587-K590 WeakPolarHBondContact O-CB 3.48Å; E587-K590 PolarHBondContact O-N 2.81Å; F588-K590 VanDerWaalsContact C-N 3.3Å; F588-K590 PolarHBondContact O-N 2.95Å; K590-G593 PolarHBondContact O-N 2.8Å; K590-I770 HydrophobicContact CD-CB 4.43Å; K590-I770 HydrophobicContact CD-CD1 4.48Å; K590-I770 HydrophobicContact CD-CG2 3.85Å; K590-I770 HydrophobicContact CG-CG2 4.21Å; K590-I770 PolarHBondContact NZ-O 3.03Å; K590-R897 PolarHBondContact O-NH1 3.33Å; K590-R897 PolarHBondContact O-NH2 3.31Å
591I73.5Confident78.1Confident9 Ų935.5 Ų35.55%0.04618%0.177CC..Hα-helixtrans-64-44.3169.7-62.9165.2000109.9E587 F588 G593 I874 R897 Y902E587-I591 WeakPolarHBondContact O-CG1 3.43Å; E587-I591 PolarHBondContact O-N 2.68Å; F588-I591 WeakPolarHBondContact O-CB 3.43Å; F588-I591 PolarHBondContact O-N 2.99Å; I591-G593 PolarHBondContact O-N 3.08Å; I591-I874 HydrophobicContact CD1-CD1 3.54Å; I591-I874 HydrophobicContact CD1-CG1 3.58Å; I591-I874 HydrophobicContact CG1-CG1 4Å; I591-R897 WeakPolarHBondContact O-CD 3.38Å; I591-R897 WeakPolarHBondContact O-CG 3.39Å; I591-R897 PolarHBondContact O-NE 3.43Å; I591-Y902 HydrophobicContact CD1-CD1 4.2Å; I591-Y902 HydrophobicContact CD1-CE1 4.09Å; I591-Y902 HydrophobicContact CG2-CD1 4.41Å
592M73.8Confident78.7Confident17 Ų1733.5 Ų33.58%0.08417%0.169CC..Hα-helixtrans-69.9-14.5178.7-66.2-63.5178.400113.9F588 T589 Y922 L925F588-M592 HydrophobicContact CE1-CE 3.93Å; F588-M592 HydrophobicContact CE1-CG 4.4Å; F588-M592 HydrophobicContact CE2-CE 3.83Å; F588-M592 HydrophobicContact CZ-CE 3.35Å; F588-M592 WeakPolarHBondContact O-CG 3.39Å; F588-M592 PolarHBondContact O-N 2.91Å; T589-M592 PolarHBondContact O-N 3.25Å; M592-Y922 HydrophobicContact CG-CE1 4.28Å; M592-L925 HydrophobicContact CB-CD1 4Å; M592-L925 HydrophobicContact CB-CD2 4.22Å; M592-L925 WeakPolarHBondContact O-CD2 3.33Å
593G69.8Low79.3Confident20 Ų2030.8 Ų30.821%0.20616%0.156CC..THydrogen-bonded Turntrans125.7-3.316900000116.5T589 K590 I591T589-G593 PolarHBondContact O-N 3.08Å; K590-G593 PolarHBondContact O-N 2.8Å; I591-G593 PolarHBondContact O-N 3.08Å
594F75.4Confident80.1Confident6 Ų629.1 Ų29.13%0.02615%0.145CC..  trans-62.8144.6176-74.2-75000112.2H22 L26 T589 F921 L925H22-F594 HydrophobicContact CB-CD1 3.78Å; H22-F594 HydrophobicContact CB-CE1 3.62Å; H22-F594 AromaticContact CD2-CE1 3.89Å; H22-F594 AromaticContact CG-CE1 3.93Å; H22-F594 WeakPolarHBondContact O-CE1 3.39Å; L26-F594 HydrophobicContact CD1-CD1 3.47Å; L26-F594 VanDerWaalsContact CD1-CD1 3.47Å; L26-F594 HydrophobicContact CD1-CE1 3.57Å; L26-F594 HydrophobicContact CD1-CG 4.18Å; L26-F594 HydrophobicContact CD1-CZ 4.31Å; L26-F594 HydrophobicContact CD2-CD1 4.44Å; L26-F594 HydrophobicContact CD2-CE1 4.09Å; L26-F594 HydrophobicContact CD2-CE2 4.28Å; L26-F594 HydrophobicContact CD2-CZ 3.99Å; L26-F594 HydrophobicContact CG-CD1 3.94Å; L26-F594 HydrophobicContact CG-CE1 3.5Å; L26-F594 HydrophobicContact CG-CZ 3.84Å; T589-F594 HydrophobicContact CG2-CD2 4.03Å; T589-F594 HydrophobicContact CG2-CE2 4.16Å; T589-F594 WeakPolarHBondContact O-CB 3.47Å; T589-F594 WeakPolarHBondContact O-CD2 3.45Å; T589-F594 PolarHBondContact O-N 3.43Å; F594-F921 HydrophobicContact CE2-CE1 4.08Å; F594-F921 AromaticContact CE2-CZ 3.84Å; F594-F921 HydrophobicContact CE2-CZ 3.84Å; F594-F921 HydrophobicContact CZ-CE1 4.34Å; F594-F921 HydrophobicContact CZ-CE2 4.5Å; F594-F921 AromaticContact CZ-CZ 3.77Å; F594-F921 HydrophobicContact CZ-CZ 3.77Å; F594-L925 HydrophobicContact CD2-CD1 3.93Å; F594-L925 HydrophobicContact CE2-CD1 3.27Å; F594-L925 HydrophobicContact CE2-CG 4.11Å; F594-L925 HydrophobicContact CZ-CD1 3.84Å; F594-L925 HydrophobicContact CZ-CG 4.28Å
595T75.3Confident80.8Confident41 Ų4123.2 Ų23.225%0.25212%0.124SC..  trans-94150.8176.265.70000111.3T597 T598 H599T595-T597 PolarHBondContact O-N 3.32Å; T595-T597 PolarHBondContact OG1-OG1 3.09Å; T595-T598 PolarHBondContact N-OG1 3.17Å; T595-T598 VanDerWaalsContact N-OG1 3.13Å; T595-T598 PolarHBondContact O-N 3.47Å; T595-T598 VanDerWaalsContact O-N 3.15Å; T595-T598 PolarHBondContact O-OG1 3.12Å; T595-T598 PolarHBondContact OG1-N 3.38Å; T595-T598 PolarHBondContact OG1-OG1 2.8Å; T595-H599 PolarHBondContact O-N 3.19Å
596N75.2Confident81.2Confident37 Ų3722.6 Ų22.620%0.19812%0.121CC..Hα-helixtrans-54.9-36.9173.3-72.543.5000111.9H599 W600 E761N596-H599 PolarHBondContact O-N 3.35Å; N596-W600 PolarHBondContact O-N 3.48Å; N596-W600 VanDerWaalsContact O-N 3.13Å; N596-E761 PolarHBondContact ND2-OE2 3.01Å
597T79.4Confident81.7Confident52 Ų5221.7 Ų21.732%0.31912%0.117SC..Hα-helixtrans-64.6-42.6177.846.30000112.5T595 H599 L601 F774T595-T597 PolarHBondContact O-N 3.32Å; T595-T597 PolarHBondContact OG1-OG1 3.09Å; T597-H599 VanDerWaalsContact C-N 3.29Å; T597-H599 PolarHBondContact O-N 3.45Å; T597-L601 WeakPolarHBondContact O-CB 3.49Å; T597-L601 PolarHBondContact O-N 2.96Å; T597-L601 VanDerWaalsContact O-N 3.11Å; T597-F774 HydrophobicContact CG2-CE2 4.05Å
598T83.7Confident82.5Confident1 Ų120.8 Ų20.81%0.00611%0.113CC..Hα-helixtrans-62.1-34.3172.944.60000113F19 H22 T595 S602F19-T598 HydrophobicContact CD2-CG2 3.46Å; F19-T598 VanDerWaalsContact CD2-CG2 3.46Å; F19-T598 HydrophobicContact CE2-CG2 3.42Å; F19-T598 VanDerWaalsContact CE2-CG2 3.42Å; F19-T598 HydrophobicContact CG-CG2 4.13Å; F19-T598 HydrophobicContact CZ-CG2 4.05Å; H22-T598 HydrophobicContact CB-CG2 4.18Å; T595-T598 PolarHBondContact N-OG1 3.17Å; T595-T598 VanDerWaalsContact N-OG1 3.13Å; T595-T598 PolarHBondContact O-N 3.47Å; T595-T598 VanDerWaalsContact O-N 3.15Å; T595-T598 PolarHBondContact O-OG1 3.12Å; T595-T598 PolarHBondContact OG1-N 3.38Å; T595-T598 PolarHBondContact OG1-OG1 2.8Å; T598-S602 VanDerWaalsContact O-CB 3.22Å; T598-S602 WeakPolarHBondContact O-CB 3.43Å; T598-S602 PolarHBondContact O-N 2.98Å; T598-S602 VanDerWaalsContact O-N 3.07Å
599H84Confident82.9Confident6 Ų624.4 Ų24.43%0.02813%0.131CC..Hα-helixtrans-67.9-50.1-179.9-171.3-99.6000112.2E580 K586 T595 N596 T597 W603E580-H599 IonicContact OE2-CD2 2.67Å; E580-H599 IonicContact OE2-CE1 3.9Å; E580-H599 IonicContact OE2-NE2 3.72Å; E580-H599 PolarHBondContact OE2-NE2 3.24Å; K586-H599 VanDerWaalsContact CE-ND1 3.3Å; K586-H599 WeakPolarHBondContact CE-ND1 3.24Å; K586-H599 PolarHBondContact NZ-ND1 3.03Å; T595-H599 PolarHBondContact O-N 3.19Å; N596-H599 PolarHBondContact O-N 3.35Å; T597-H599 VanDerWaalsContact C-N 3.29Å; T597-H599 PolarHBondContact O-N 3.45Å; H599-W603 AromaticContact CE1-CD1 3.43Å; H599-W603 VanDerWaalsContact CE1-CD1 3.43Å; H599-W603 AromaticContact CE1-NE1 3.45Å; H599-W603 PolarHBondContact CE1-NE1 3.26Å; H599-W603 AromaticContact ND1-CD1 3.85Å; H599-W603 AromaticContact NE2-CD1 3.7Å; H599-W603 AromaticContact NE2-NE1 3.42Å; H599-W603 PolarHBondContact NE2-NE1 3.13Å; H599-W603 PolarHBondContact O-N 2.92Å; H599-W603 VanDerWaalsContact O-N 3.09Å
600W87.8Confident83.4Confident12 Ų1224.8 Ų24.85%0.04513%0.133CC..Hα-helixtrans-65.5-43.6178.2-68.2116.9000112.8I577 N596 S602 W603 F604 F652 S655 I656 T757 E761I577-W600 HydrophobicContact CD1-CZ3 4.48Å; I577-W600 HydrophobicContact CG2-CH2 4.22Å; I577-W600 HydrophobicContact CG2-CZ3 4.01Å; N596-W600 PolarHBondContact O-N 3.48Å; N596-W600 VanDerWaalsContact O-N 3.13Å; W600-S602 VanDerWaalsContact C-N 3.34Å; W600-S602 PolarHBondContact O-N 2.68Å; W600-W603 PolarHBondContact O-N 3.11Å; W600-F604 PolarHBondContact O-N 2.78Å; W600-F652 HydrophobicContact CE3-CB 4.09Å; W600-F652 HydrophobicContact CE3-CD1 4.07Å; W600-F652 AromaticContact CE3-CD2 3.72Å; W600-F652 HydrophobicContact CE3-CD2 3.72Å; W600-F652 HydrophobicContact CE3-CE1 4.44Å; W600-F652 HydrophobicContact CE3-CE2 4.1Å; W600-F652 AromaticContact CE3-CG 3.7Å; W600-F652 HydrophobicContact CE3-CG 3.7Å; W600-F652 HydrophobicContact CE3-CZ 4.45Å; W600-F652 HydrophobicContact CH2-CB 4.46Å; W600-F652 HydrophobicContact CZ3-CB 3.74Å; W600-F652 AromaticContact CZ3-CD1 3.92Å; W600-F652 HydrophobicContact CZ3-CD1 3.92Å; W600-F652 HydrophobicContact CZ3-CD2 4.2Å; W600-F652 AromaticContact CZ3-CG 3.69Å; W600-F652 HydrophobicContact CZ3-CG 3.69Å; W600-S655 WeakPolarHBondContact CH2-OG 3.26Å; W600-I656 HydrophobicContact CH2-CD1 4.11Å; W600-I656 HydrophobicContact CH2-CG1 3.85Å; W600-I656 HydrophobicContact CZ2-CD1 3.91Å; W600-I656 HydrophobicContact CZ2-CG1 3.87Å; W600-T757 HydrophobicContact CD2-CG2 4.48Å; W600-T757 HydrophobicContact CH2-CG2 4.37Å; W600-T757 HydrophobicContact CZ2-CG2 4.2Å; W600-E761 WeakPolarHBondContact CZ2-OE1 3.38Å; W600-E761 PolarHBondContact NE1-OE2 3.13Å
601L88.9Confident84.1Confident74 Ų7423.9 Ų23.939%0.38713%0.13SC..Hα-helixtrans-66.4-37.9-178.9-150160.9000111F19 Y23 T597 F604 S605F19-L601 HydrophobicContact CZ-CD1 4.33Å; Y23-L601 HydrophobicContact CD2-CD2 3.86Å; Y23-L601 HydrophobicContact CE2-CD2 3.37Å; T597-L601 WeakPolarHBondContact O-CB 3.49Å; T597-L601 PolarHBondContact O-N 2.96Å; T597-L601 VanDerWaalsContact O-N 3.11Å; L601-F604 PolarHBondContact O-N 3.23Å; L601-S605 PolarHBondContact O-N 3Å; L601-S605 PolarHBondContact O-OG 3.19Å
602S90.4Very high84.9Confident1 Ų126.2 Ų26.21%0.00714%0.142CC..Hα-helixtrans-59.8-47.5169.7175.10000112.9L26 M27 N30 T598 W600 F604 S606L26-S602 WeakPolarHBondContact CB-OG 3.47Å; L26-S602 PolarHBondContact O-OG 2.89Å; M27-S602 WeakPolarHBondContact CA-OG 3.37Å; M27-S602 PolarHBondContact N-OG 3.27Å; N30-S602 PolarHBondContact ND2-O 2.75Å; N30-S602 PolarHBondContact ND2-OG 3.31Å; T598-S602 VanDerWaalsContact O-CB 3.22Å; T598-S602 WeakPolarHBondContact O-CB 3.43Å; T598-S602 PolarHBondContact O-N 2.98Å; T598-S602 VanDerWaalsContact O-N 3.07Å; W600-S602 VanDerWaalsContact C-N 3.34Å; W600-S602 PolarHBondContact O-N 2.68Å; S602-F604 VanDerWaalsContact C-N 3.34Å; S602-F604 PolarHBondContact O-N 2.69Å; S602-S606 VanDerWaalsContact O-CB 3.26Å; S602-S606 WeakPolarHBondContact O-CB 3.41Å; S602-S606 PolarHBondContact O-N 3.39Å; S602-S606 PolarHBondContact O-OG 2.96Å
603W90.3Very high85.7Confident9 Ų928.3 Ų28.33%0.03416%0.157CC..Hα-helixtrans-62.2-42.3178.5-88.5112.4000111.7N30 I577 E580 H599 W600 S606 T607 F652N30-W603 WeakPolarHBondContact ND2-CA 3.3Å; N30-W603 VanDerWaalsContact ND2-CD2 3.31Å; N30-W603 PolarHBondContact ND2-N 3.36Å; I577-W603 HydrophobicContact CD1-CG 4.48Å; I577-W603 HydrophobicContact CG1-CD2 3.83Å; I577-W603 HydrophobicContact CG1-CE3 4.22Å; I577-W603 HydrophobicContact CG1-CG 3.99Å; E580-W603 HydrophobicContact CG-CZ2 4.19Å; E580-W603 PolarHBondContact OE2-NE1 3.02Å; H599-W603 AromaticContact CE1-CD1 3.43Å; H599-W603 VanDerWaalsContact CE1-CD1 3.43Å; H599-W603 AromaticContact CE1-NE1 3.45Å; H599-W603 PolarHBondContact CE1-NE1 3.26Å; H599-W603 AromaticContact ND1-CD1 3.85Å; H599-W603 AromaticContact NE2-CD1 3.7Å; H599-W603 AromaticContact NE2-NE1 3.42Å; H599-W603 PolarHBondContact NE2-NE1 3.13Å; H599-W603 PolarHBondContact O-N 2.92Å; H599-W603 VanDerWaalsContact O-N 3.09Å; W600-W603 PolarHBondContact O-N 3.11Å; W603-S606 WeakPolarHBondContact CA-OG 3.19Å; W603-S606 PolarHBondContact O-N 3.31Å; W603-S606 PolarHBondContact O-OG 3.28Å; W603-T607 WeakPolarHBondContact O-CG2 3.43Å; W603-T607 PolarHBondContact O-N 2.87Å; W603-T607 PolarHBondContact O-OG1 3.09Å; W603-F652 HydrophobicContact CB-CE1 4.27Å; W603-F652 HydrophobicContact CB-CZ 4.12Å
604F92.9Very high86.6Confident46 Ų4627.5 Ų27.520%0.20215%0.148CC..Hα-helixtrans-58.5-57176175.9-98.6000111.6W600 L601 S602 S606 T607 F608 I645 I648 M649 F652W600-F604 PolarHBondContact O-N 2.78Å; L601-F604 PolarHBondContact O-N 3.23Å; S602-F604 VanDerWaalsContact C-N 3.34Å; S602-F604 PolarHBondContact O-N 2.69Å; F604-S606 VanDerWaalsContact C-N 3.33Å; F604-S606 PolarHBondContact O-N 3.04Å; F604-T607 PolarHBondContact O-N 3.23Å; F604-T607 PolarHBondContact O-OG1 3.04Å; F604-F608 WeakPolarHBondContact O-CB 3.39Å; F604-F608 PolarHBondContact O-N 2.83Å; F604-I645 HydrophobicContact CE2-CG2 4.3Å; F604-I645 HydrophobicContact CZ-CG1 4.37Å; F604-I648 HydrophobicContact CD2-CB 4.41Å; F604-I648 HydrophobicContact CD2-CG2 3.75Å; F604-I648 HydrophobicContact CE2-CD1 4.5Å; F604-I648 HydrophobicContact CE2-CG2 4.42Å; F604-M649 HydrophobicContact CD2-CE 3.58Å; F604-M649 HydrophobicContact CD2-SD 4.47Å; F604-M649 HydrophobicContact CE2-CE 3.69Å; F604-M649 HydrophobicContact CG-CE 4.35Å; F604-F652 HydrophobicContact CB-CE2 4Å; F604-F652 HydrophobicContact CB-CZ 3.9Å
605S91.1Very high87.4Confident17 Ų1727.3 Ų27.312%0.11915%0.147CC..Hα-helixtrans-62.5-41.1-177.7-57.60000112.1Y23 L601 T607 F608 I609Y23-S605 WeakPolarHBondContact OH-CB 3.32Å; Y23-S605 PolarHBondContact OH-OG 2.94Å; L601-S605 PolarHBondContact O-N 3Å; L601-S605 PolarHBondContact O-OG 3.19Å; S605-T607 VanDerWaalsContact C-N 3.31Å; S605-T607 PolarHBondContact O-N 2.91Å; S605-F608 PolarHBondContact O-N 3.42Å; S605-I609 WeakPolarHBondContact O-CB 3.37Å; S605-I609 WeakPolarHBondContact O-CD1 3.44Å; S605-I609 WeakPolarHBondContact O-CG1 3.46Å; S605-I609 PolarHBondContact O-N 2.98Å
606S90.1Very high88.2Confident2 Ų228.4 Ų28.41%0.01415%0.151CC..Hα-helixtrans-66.7-28.9178.867.70000114.1N30 S602 W603 F604 I610N30-S606 VanDerWaalsContact CB-CB 3.46Å; N30-S606 WeakPolarHBondContact CB-OG 3.4Å; N30-S606 PolarHBondContact ND2-OG 3.36Å; S602-S606 VanDerWaalsContact O-CB 3.26Å; S602-S606 WeakPolarHBondContact O-CB 3.41Å; S602-S606 PolarHBondContact O-N 3.39Å; S602-S606 PolarHBondContact O-OG 2.96Å; W603-S606 WeakPolarHBondContact CA-OG 3.19Å; W603-S606 PolarHBondContact O-N 3.31Å; W603-S606 PolarHBondContact O-OG 3.28Å; F604-S606 VanDerWaalsContact C-N 3.33Å; F604-S606 PolarHBondContact O-N 3.04Å; S606-I610 WeakPolarHBondContact O-CD1 3.38Å
607T89.1Confident88.9Confident1 Ų130.2 Ų30.21%0.00616%0.159CC..Hα-helixtrans-79.5-44.8173.243.60000111.2I573 W603 F604 S605 I609 I610 V611I573-T607 HydrophobicContact CD1-CG2 3.85Å; I573-T607 HydrophobicContact CG1-CG2 3.72Å; I573-T607 HydrophobicContact CG2-CG2 4.13Å; W603-T607 WeakPolarHBondContact O-CG2 3.43Å; W603-T607 PolarHBondContact O-N 2.87Å; W603-T607 PolarHBondContact O-OG1 3.09Å; F604-T607 PolarHBondContact O-N 3.23Å; F604-T607 PolarHBondContact O-OG1 3.04Å; S605-T607 VanDerWaalsContact C-N 3.31Å; S605-T607 PolarHBondContact O-N 2.91Å; T607-I609 PolarHBondContact O-N 3.14Å; T607-I610 PolarHBondContact O-N 3.47Å; T607-V611 WeakPolarHBondContact O-CG2 3.23Å; T607-V611 PolarHBondContact O-N 2.91Å; T607-V611 VanDerWaalsContact O-N 3.08Å
608F91Very high89.4Confident47 Ų4727.8 Ų27.821%0.20614%0.144CC..Hα-helixtrans-59.9-44.5179.8-169.7-105.2000112.5F604 S605 I610 V611 L612 I641 I645 I648F604-F608 WeakPolarHBondContact O-CB 3.39Å; F604-F608 PolarHBondContact O-N 2.83Å; S605-F608 PolarHBondContact O-N 3.42Å; F608-I610 VanDerWaalsContact C-N 3.28Å; F608-I610 PolarHBondContact O-N 2.77Å; F608-V611 PolarHBondContact O-N 3.45Å; F608-L612 HydrophobicContact CD1-CD1 4.34Å; F608-L612 HydrophobicContact CE1-CD1 3.61Å; F608-L612 HydrophobicContact CZ-CD1 3.94Å; F608-L612 VanDerWaalsContact O-CB 3.23Å; F608-L612 WeakPolarHBondContact O-CB 3.48Å; F608-L612 PolarHBondContact O-N 3.25Å; F608-I641 HydrophobicContact CE2-CG2 4.17Å; F608-I641 HydrophobicContact CZ-CG2 4.14Å; F608-I645 HydrophobicContact CD2-CG1 4.26Å; F608-I645 HydrophobicContact CE2-CD1 4.17Å; F608-I645 HydrophobicContact CE2-CG1 3.82Å; F608-I648 HydrophobicContact CB-CD1 4.39Å; F608-I648 HydrophobicContact CD2-CD1 4.45Å
609I89.6Confident89.7Confident83 Ų8328 Ų2843%0.42615%0.146SC..Hα-helixtrans-59.9-34.7177.9-71.4165.2000112.6M27 S605 T607 P613M27-I609 HydrophobicContact CE-CD1 4.33Å; M27-I609 HydrophobicContact SD-CD1 3.87Å; S605-I609 WeakPolarHBondContact O-CB 3.37Å; S605-I609 WeakPolarHBondContact O-CD1 3.44Å; S605-I609 WeakPolarHBondContact O-CG1 3.46Å; S605-I609 PolarHBondContact O-N 2.98Å; T607-I609 PolarHBondContact O-N 3.14Å; I609-P613 WeakPolarHBondContact O-CD 3.29Å
610I87.4Confident90Very high14 Ų1431.1 Ų31.17%0.07216%0.162CC..Hα-helixtrans-80.4-34.6-179.4-69.7173.3000111.4F31 R34 S606 T607 F608 P613F31-I610 HydrophobicContact CD2-CD1 4.17Å; F31-I610 HydrophobicContact CD2-CG1 4.25Å; F31-I610 HydrophobicContact CE2-CG1 4.32Å; R34-I610 HydrophobicContact CB-CD1 4.25Å; R34-I610 HydrophobicContact CG-CD1 4.4Å; S606-I610 WeakPolarHBondContact O-CD1 3.38Å; T607-I610 PolarHBondContact O-N 3.47Å; F608-I610 VanDerWaalsContact C-N 3.28Å; F608-I610 PolarHBondContact O-N 2.77Å; I610-P613 WeakPolarHBondContact O-CD 3.39Å; I610-P613 WeakPolarHBondContact O-CG 3.02Å
611V88Confident90.2Very high7 Ų732.3 Ų32.34%0.04217%0.169CC..Hα-helixtrans-83.4-29.7-178176.30000112.8W566 T607 F608 I614 T615 I644W566-V611 HydrophobicContact CH2-CG1 3.73Å; W566-V611 HydrophobicContact CZ3-CG1 3.52Å; T607-V611 WeakPolarHBondContact O-CG2 3.23Å; T607-V611 PolarHBondContact O-N 2.91Å; T607-V611 VanDerWaalsContact O-N 3.08Å; F608-V611 PolarHBondContact O-N 3.45Å; V611-I614 WeakPolarHBondContact O-CA 3.33Å; V611-I614 VanDerWaalsContact O-CB 3.28Å; V611-I614 WeakPolarHBondContact O-CB 3.49Å; V611-I614 PolarHBondContact O-N 3.18Å; V611-T615 HydrophobicContact CG1-CG2 4.31Å; V611-T615 PolarHBondContact O-N 3.27Å; V611-I644 HydrophobicContact CB-CG2 4.28Å; V611-I644 HydrophobicContact CG1-CB 4.42Å; V611-I644 HydrophobicContact CG1-CD1 3.67Å; V611-I644 HydrophobicContact CG1-CG1 4.05Å; V611-I644 HydrophobicContact CG1-CG2 3.64Å
612L90.5Very high90.1Very high58 Ų5828.8 Ų28.830%0.30415%0.151SC..Hα-helixtrans-55.4-43.9179.5-178142.8000115.3F608 I614 T615 I616 I641F608-L612 HydrophobicContact CD1-CD1 4.34Å; F608-L612 HydrophobicContact CE1-CD1 3.61Å; F608-L612 HydrophobicContact CZ-CD1 3.94Å; F608-L612 VanDerWaalsContact O-CB 3.23Å; F608-L612 WeakPolarHBondContact O-CB 3.48Å; F608-L612 PolarHBondContact O-N 3.25Å; L612-I614 VanDerWaalsContact C-N 3.25Å; L612-I614 PolarHBondContact O-N 3.18Å; L612-T615 PolarHBondContact O-N 2.94Å; L612-T615 PolarHBondContact O-OG1 3.18Å; L612-I616 HydrophobicContact CD2-CD1 3.67Å; L612-I616 HydrophobicContact CG-CD1 4.41Å; L612-I616 WeakPolarHBondContact O-CG1 3.4Å; L612-I616 PolarHBondContact O-N 3.23Å; L612-I616 VanDerWaalsContact O-N 3.11Å; L612-I641 HydrophobicContact CD1-CD1 4.38Å
613P90.1Very high90.1Very high60 Ų6030.7 Ų30.739%0.3916%0.159SC..Hα-helixtrans-64-31.3173.224-33.8000112.6I609 I610 I616 I617I609-P613 WeakPolarHBondContact O-CD 3.29Å; I610-P613 WeakPolarHBondContact O-CD 3.39Å; I610-P613 WeakPolarHBondContact O-CG 3.02Å; P613-I616 PolarHBondContact O-N 3.04Å; P613-I617 WeakPolarHBondContact O-CD1 3.45Å; P613-I617 VanDerWaalsContact O-CG1 3.25Å; P613-I617 WeakPolarHBondContact O-CG1 3.22Å; P613-I617 PolarHBondContact O-N 3.27Å
614I89.5Confident89.9Confident3 Ų338.4 Ų38.42%0.01519%0.189CC..Hα-helixtrans-66.5-41.4176.2-47.5172.7000110.1I45 P48 L49 W566 V611 L612 I617 I618I45-I614 HydrophobicContact CB-CD1 4.44Å; I45-I614 HydrophobicContact CG1-CD1 3.97Å; I45-I614 HydrophobicContact CG1-CG1 4.27Å; P48-I614 HydrophobicContact CB-CG2 3.71Å; P48-I614 HydrophobicContact CG-CG2 4.18Å; L49-I614 HydrophobicContact CD2-CG2 4.45Å; W566-I614 HydrophobicContact CH2-CB 4.23Å; W566-I614 HydrophobicContact CH2-CG2 3.88Å; V611-I614 WeakPolarHBondContact O-CA 3.33Å; V611-I614 VanDerWaalsContact O-CB 3.28Å; V611-I614 WeakPolarHBondContact O-CB 3.49Å; V611-I614 PolarHBondContact O-N 3.18Å; L612-I614 VanDerWaalsContact C-N 3.25Å; L612-I614 PolarHBondContact O-N 3.18Å; I614-I617 PolarHBondContact O-N 3.02Å; I614-I618 HydrophobicContact CG2-CD1 3.93Å; I614-I618 WeakPolarHBondContact O-CB 3.41Å; I614-I618 VanDerWaalsContact O-CG1 3.3Å; I614-I618 WeakPolarHBondContact O-CG1 3.49Å; I614-I618 PolarHBondContact O-N 3.42Å
615T90.9Very high89.4Confident2 Ų236.6 Ų36.61%0.01218%0.184CC..Hα-helixtrans-66.2-40.8176.463.10000112.3V611 L612 I618 T619 I644V611-T615 HydrophobicContact CG1-CG2 4.31Å; V611-T615 PolarHBondContact O-N 3.27Å; L612-T615 PolarHBondContact O-N 2.94Å; L612-T615 PolarHBondContact O-OG1 3.18Å; T615-I618 PolarHBondContact O-N 3.06Å; T615-T619 WeakPolarHBondContact O-CG2 3.26Å; T615-T619 PolarHBondContact O-N 3.43Å; T615-T619 PolarHBondContact O-OG1 2.64Å; T615-I644 HydrophobicContact CG2-CD1 3.14Å
616I92.1Very high89.1Confident65 Ų6540.2 Ų40.233%0.33320%0.202SC..Hα-helixtrans-57.2-53.3174.8-66.5170.1000109.3L612 P613 I618 T619 L620 F637L612-I616 HydrophobicContact CD2-CD1 3.67Å; L612-I616 HydrophobicContact CG-CD1 4.41Å; L612-I616 WeakPolarHBondContact O-CG1 3.4Å; L612-I616 PolarHBondContact O-N 3.23Å; L612-I616 VanDerWaalsContact O-N 3.11Å; P613-I616 PolarHBondContact O-N 3.04Å; I616-I618 VanDerWaalsContact C-N 3.34Å; I616-I618 PolarHBondContact O-N 2.93Å; I616-T619 PolarHBondContact O-N 2.88Å; I616-T619 VanDerWaalsContact O-N 3.11Å; I616-T619 PolarHBondContact O-OG1 3.39Å; I616-L620 HydrophobicContact CG2-CD1 3.83Å; I616-L620 HydrophobicContact CG2-CG 4.35Å; I616-L620 VanDerWaalsContact O-CG 3.32Å; I616-L620 WeakPolarHBondContact O-CG 3.35Å; I616-L620 PolarHBondContact O-N 3.47Å; I616-F637 HydrophobicContact CG1-CD2 4.46Å; I616-F637 HydrophobicContact CG1-CE2 3.59Å; I616-F637 HydrophobicContact CG1-CZ 4.19Å
617I91Very high88.8Confident74 Ų7440.2 Ų40.238%0.37920%0.202SC..Hα-helixtrans-58.6-44179.2-64.9163.9000111.3L49 P613 I614 T619 L620 I621L49-I617 HydrophobicContact CD2-CB 4.17Å; L49-I617 HydrophobicContact CD2-CG2 3.53Å; P613-I617 WeakPolarHBondContact O-CD1 3.45Å; P613-I617 VanDerWaalsContact O-CG1 3.25Å; P613-I617 WeakPolarHBondContact O-CG1 3.22Å; P613-I617 PolarHBondContact O-N 3.27Å; I614-I617 PolarHBondContact O-N 3.02Å; I617-T619 PolarHBondContact O-N 3.05Å; I617-L620 PolarHBondContact O-N 2.8Å; I617-I621 HydrophobicContact CG2-CD1 3.73Å; I617-I621 HydrophobicContact CG2-CG1 4.35Å; I617-I621 VanDerWaalsContact O-CG1 3.29Å; I617-I621 WeakPolarHBondContact O-CG1 3.37Å; I617-I621 PolarHBondContact O-N 3.49Å
618I89Confident88.6Confident1 Ų140.1 Ų40.11%0.00520%0.201CC..Hα-helixtrans-61.9-41.7176.6-70.7169.8000111.5P48 L49 P52 L562 W566 I614 T615 I616 I621 L622 L640P48-I618 HydrophobicContact CB-CD1 3.8Å; L49-I618 HydrophobicContact CD2-CG1 3.8Å; P52-I618 HydrophobicContact CG-CG1 4.42Å; P52-I618 HydrophobicContact CG-CG2 4.49Å; L562-I618 HydrophobicContact CD1-CG2 4.43Å; W566-I618 HydrophobicContact CH2-CD1 4.34Å; W566-I618 HydrophobicContact CZ2-CD1 3.72Å; I614-I618 HydrophobicContact CG2-CD1 3.93Å; I614-I618 WeakPolarHBondContact O-CB 3.41Å; I614-I618 VanDerWaalsContact O-CG1 3.3Å; I614-I618 WeakPolarHBondContact O-CG1 3.49Å; I614-I618 PolarHBondContact O-N 3.42Å; T615-I618 PolarHBondContact O-N 3.06Å; I616-I618 VanDerWaalsContact C-N 3.34Å; I616-I618 PolarHBondContact O-N 2.93Å; I618-I621 PolarHBondContact O-N 2.98Å; I618-L622 HydrophobicContact CG2-CD1 3.78Å; I618-L622 HydrophobicContact CG2-CG 4.26Å; I618-L622 WeakPolarHBondContact O-CB 3.38Å; I618-L622 VanDerWaalsContact O-CG 3.25Å; I618-L622 WeakPolarHBondContact O-CG 3.4Å; I618-L622 PolarHBondContact O-N 3.33Å; I618-L640 HydrophobicContact CG2-CD1 4.14Å
619T91Very high88Confident5 Ų540.8 Ų40.83%0.03121%0.206CC..Hα-helixtrans-66.8-36.8176.859.20000113.4T615 I616 I617 L622 K623 I636 F637 L640T615-T619 WeakPolarHBondContact O-CG2 3.26Å; T615-T619 PolarHBondContact O-N 3.43Å; T615-T619 PolarHBondContact O-OG1 2.64Å; I616-T619 PolarHBondContact O-N 2.88Å; I616-T619 VanDerWaalsContact O-N 3.11Å; I616-T619 PolarHBondContact O-OG1 3.39Å; I617-T619 PolarHBondContact O-N 3.05Å; T619-L622 PolarHBondContact O-N 3.36Å; T619-K623 VanDerWaalsContact O-CB 3.31Å; T619-K623 WeakPolarHBondContact O-CB 3.2Å; T619-K623 PolarHBondContact O-N 3.48Å; T619-I636 HydrophobicContact CG2-CG2 4.18Å; T619-F637 HydrophobicContact CG2-CB 3.95Å; T619-F637 HydrophobicContact CG2-CD2 4.15Å; T619-L640 HydrophobicContact CG2-CD1 3.59Å
620L90.6Very high87.4Confident73 Ų7338.9 Ų38.938%0.38220%0.197SC..Hα-helixtrans-65.1-45.9174.5-66.5170.1000110.6I616 I617 L622 K623 Y624 I633I616-L620 HydrophobicContact CG2-CD1 3.83Å; I616-L620 HydrophobicContact CG2-CG 4.35Å; I616-L620 VanDerWaalsContact O-CG 3.32Å; I616-L620 WeakPolarHBondContact O-CG 3.35Å; I616-L620 PolarHBondContact O-N 3.47Å; I617-L620 PolarHBondContact O-N 2.8Å; L620-L622 PolarHBondContact O-N 2.78Å; L620-K623 PolarHBondContact O-N 3.44Å; L620-Y624 HydrophobicContact CB-CD2 4.37Å; L620-Y624 HydrophobicContact CD2-CD2 4.05Å; L620-Y624 HydrophobicContact CD2-CE2 3.67Å; L620-Y624 WeakPolarHBondContact O-CB 3.41Å; L620-Y624 WeakPolarHBondContact O-CD2 3.27Å; L620-Y624 PolarHBondContact O-N 3.41Å; L620-I633 HydrophobicContact CD2-CD1 4.21Å
621I90Very high87.3Confident37 Ų3738.2 Ų38.219%0.1919%0.193CC..Hα-helixtrans-61.8-44.3175.9-67169000111L49 P52 I53 V56 I617 I618 K623 G625L49-I621 HydrophobicContact CD2-CD1 4.21Å; P52-I621 HydrophobicContact CB-CB 4.47Å; P52-I621 HydrophobicContact CB-CG2 3.72Å; I53-I621 HydrophobicContact CG1-CD1 4.22Å; V56-I621 HydrophobicContact CG2-CG2 3.73Å; I617-I621 HydrophobicContact CG2-CD1 3.73Å; I617-I621 HydrophobicContact CG2-CG1 4.35Å; I617-I621 VanDerWaalsContact O-CG1 3.29Å; I617-I621 WeakPolarHBondContact O-CG1 3.37Å; I617-I621 PolarHBondContact O-N 3.49Å; I618-I621 PolarHBondContact O-N 2.98Å; I621-K623 VanDerWaalsContact C-N 3.35Å; I621-K623 PolarHBondContact O-N 3.1Å; I621-G625 VanDerWaalsContact O-CA 3.23Å; I621-G625 WeakPolarHBondContact O-CA 3.23Å; I621-G625 PolarHBondContact O-N 2.74Å
622L87.7Confident87.2Confident0 Ų039 Ų390%020%0.199CC..Hα-helixtrans-67.1-31.7178.6-73.4174.8000113.3L562 I618 T619 L620 I627 F628 I636 L640L562-L622 HydrophobicContact CD1-CD1 4.14Å; I618-L622 HydrophobicContact CG2-CD1 3.78Å; I618-L622 HydrophobicContact CG2-CG 4.26Å; I618-L622 WeakPolarHBondContact O-CB 3.38Å; I618-L622 VanDerWaalsContact O-CG 3.25Å; I618-L622 WeakPolarHBondContact O-CG 3.4Å; I618-L622 PolarHBondContact O-N 3.33Å; T619-L622 PolarHBondContact O-N 3.36Å; L620-L622 PolarHBondContact O-N 2.78Å; L622-I627 HydrophobicContact CD2-CD1 4.08Å; L622-I627 HydrophobicContact CD2-CG2 4.42Å; L622-F628 HydrophobicContact CB-CD2 4.08Å; L622-F628 HydrophobicContact CB-CE2 4.41Å; L622-F628 HydrophobicContact CD1-CE2 4.41Å; L622-F628 HydrophobicContact CD2-CE2 4.34Å; L622-F628 PolarHBondContact O-N 2.88Å; L622-F628 VanDerWaalsContact O-N 3.07Å; L622-I636 HydrophobicContact CD1-CG2 4.47Å; L622-L640 HydrophobicContact CD1-CD1 4.38Å
623K89.7Confident87.1Confident41 Ų4138.5 Ų38.518%0.17820%0.196CC..Hα-helixtrans-82.7-57.9178.3-175.153.9175.6-177.40112.2T619 L620 I621 N626 F628 I629 S631 I633T619-K623 VanDerWaalsContact O-CB 3.31Å; T619-K623 WeakPolarHBondContact O-CB 3.2Å; T619-K623 PolarHBondContact O-N 3.48Å; L620-K623 PolarHBondContact O-N 3.44Å; I621-K623 VanDerWaalsContact C-N 3.35Å; I621-K623 PolarHBondContact O-N 3.1Å; K623-N626 PolarHBondContact O-N 3.39Å; K623-F628 WeakPolarHBondContact CD-O 3.36Å; K623-F628 WeakPolarHBondContact CE-O 3.24Å; K623-F628 PolarHBondContact NZ-O 3.05Å; K623-I629 VanDerWaalsContact NZ-C 3.3Å; K623-I629 PolarHBondContact NZ-O 3.36Å; K623-S631 PolarHBondContact NZ-O 3.03Å; K623-I633 HydrophobicContact CB-CD1 4.13Å; K623-I633 HydrophobicContact CB-CG1 4.3Å; K623-I633 HydrophobicContact CG-CB 4.36Å; K623-I633 HydrophobicContact CG-CD1 4.14Å; K623-I633 HydrophobicContact CG-CG1 4.34Å
624Y87.8Confident87.1Confident170 Ų17042.3 Ų42.367%0.66721%0.207SC*.Hα-helixtrans-78.9-18.8-175.4-66.4-73.8000113.5L620 N626L620-Y624 HydrophobicContact CB-CD2 4.37Å; L620-Y624 HydrophobicContact CD2-CD2 4.05Å; L620-Y624 HydrophobicContact CD2-CE2 3.67Å; L620-Y624 WeakPolarHBondContact O-CB 3.41Å; L620-Y624 WeakPolarHBondContact O-CD2 3.27Å; L620-Y624 PolarHBondContact O-N 3.41Å; Y624-N626 PolarHBondContact O-N 3.37Å
625G82.4Confident87.1Confident9 Ų942.3 Ų42.39%0.09321%0.207CC..THydrogen-bonded Turntrans-75.614.7168.700000114.7R59 I621 I627R59-G625 WeakPolarHBondContact CG-O 3.5Å; I621-G625 VanDerWaalsContact O-CA 3.23Å; I621-G625 WeakPolarHBondContact O-CA 3.23Å; I621-G625 PolarHBondContact O-N 2.74Å; G625-I627 PolarHBondContact O-N 3.01Å
626N83.5Confident87Confident93 Ų9342.2 Ų42.250%0.49721%0.206SC..THydrogen-bonded Turntrans56.328.4177.8-65.6-34000115.4R59 K623 Y624 I629R59-N626 HydrophobicContact CG-CB 4.33Å; R59-N626 PolarHBondContact NE-O 3.35Å; R59-N626 PolarHBondContact NH2-O 3.03Å; K623-N626 PolarHBondContact O-N 3.39Å; Y624-N626 PolarHBondContact O-N 3.37Å; N626-I629 HydrophobicContact CB-CD1 4.49Å; N626-I629 HydrophobicContact CB-CG1 4.23Å
627I84.8Confident87Confident1 Ų142 Ų421%0.00520%0.203CC..SBendtrans-87.1-45173.9-60.2174.4000110.4L55 V56 F550 L551 L558 L622 G625L55-I627 HydrophobicContact CB-CD1 4.07Å; V56-I627 HydrophobicContact CG2-CD1 4.04Å; F550-I627 HydrophobicContact CE1-CG1 4.28Å; L551-I627 WeakPolarHBondContact CD1-O 3.16Å; L558-I627 HydrophobicContact CD2-CG2 3.98Å; L622-I627 HydrophobicContact CD2-CD1 4.08Å; L622-I627 HydrophobicContact CD2-CG2 4.42Å; G625-I627 PolarHBondContact O-N 3.01Å
628F83.6Confident87Confident0 Ų042.3 Ų42.30%020%0.202CC..SBendtrans-112.278.7171.5-69.1-87.1000110.7L622 K623 I636 L709 L712 L713 E716L622-F628 HydrophobicContact CB-CD2 4.08Å; L622-F628 HydrophobicContact CB-CE2 4.41Å; L622-F628 HydrophobicContact CD1-CE2 4.41Å; L622-F628 HydrophobicContact CD2-CE2 4.34Å; L622-F628 PolarHBondContact O-N 2.88Å; L622-F628 VanDerWaalsContact O-N 3.07Å; K623-F628 WeakPolarHBondContact CD-O 3.36Å; K623-F628 WeakPolarHBondContact CE-O 3.24Å; K623-F628 PolarHBondContact NZ-O 3.05Å; F628-I636 HydrophobicContact CB-CD1 3.62Å; F628-I636 HydrophobicContact CD1-CD1 4.12Å; F628-I636 HydrophobicContact CD2-CD1 4Å; F628-I636 HydrophobicContact CG-CD1 3.67Å; F628-L709 HydrophobicContact CE2-CD1 4.41Å; F628-L709 HydrophobicContact CZ-CD1 3.87Å; F628-L709 HydrophobicContact CZ-CG 4.39Å; F628-L712 HydrophobicContact CE1-CB 3.84Å; F628-L713 HydrophobicContact CD1-CD2 4.4Å; F628-L713 HydrophobicContact CE1-CD2 3.59Å; F628-L713 HydrophobicContact CE1-CG 3.83Å; F628-L713 HydrophobicContact CE2-CD2 4.02Å; F628-L713 HydrophobicContact CZ-CD1 4.45Å; F628-L713 HydrophobicContact CZ-CD2 3.38Å; F628-L713 HydrophobicContact CZ-CG 3.64Å; F628-E716 HydrophobicContact CD1-CB 4.42Å; F628-E716 HydrophobicContact CD1-CG 4.2Å
629I78.4Confident87.1Confident61 Ų6142.3 Ų42.331%0.31320%0.202SC..SBendtrans-65.1-42.9-175-64169.2000111.1P64 K623 N626 E716P64-I629 HydrophobicContact CG-CD1 3.97Å; K623-I629 VanDerWaalsContact NZ-C 3.3Å; K623-I629 PolarHBondContact NZ-O 3.36Å; N626-I629 HydrophobicContact CB-CD1 4.49Å; N626-I629 HydrophobicContact CB-CG1 4.23Å; I629-E716 WeakPolarHBondContact CA-OE1 3.27Å; I629-E716 PolarHBondContact N-OE1 3.27Å
630I78.7Confident87.2Confident43 Ų4342.1 Ų42.122%0.22120%0.2CC..SBendtrans-97.4-51.5-169.4-58.6164.4000110.8E716 N719 D721I630-E716 PolarHBondContact N-OE1 2.84Å; I630-N719 HydrophobicContact CD1-CB 3.9Å; I630-D721 HydrophobicContact CG2-CB 4.15Å; I630-D721 WeakPolarHBondContact CG2-OD1 3.15Å
631S83.9Confident87.3Confident0 Ų039.7 Ų39.70%019%0.188CC..SBendtrans-53.6140.1-173.1-61.70000113.6K623 E716 T722K623-S631 PolarHBondContact NZ-O 3.03Å; S631-E716 WeakPolarHBondContact CB-OE2 2.86Å; S631-E716 PolarHBondContact N-OE2 2.82Å; S631-E716 PolarHBondContact OG-OE2 2.88Å; S631-T722 WeakPolarHBondContact CA-OG1 3.43Å; S631-T722 VanDerWaalsContact CB-OG1 3.24Å; S631-T722 WeakPolarHBondContact CB-OG1 3.25Å; S631-T722 PolarHBondContact OG-OG1 3.15Å; S631-T722 VanDerWaalsContact OG-OG1 3.13Å
632S86Confident87.5Confident24 Ų2438 Ų3817%0.16818%0.179CC..  trans-71.2133-174.460.40000112.5F634 I635 T722S632-F634 VanDerWaalsContact C-N 3.25Å; S632-F634 PolarHBondContact O-N 2.97Å; S632-I635 PolarHBondContact O-N 2.71Å; S632-I635 VanDerWaalsContact O-N 3.16Å; S632-I635 VanDerWaalsContact OG-CD1 3.28Å; S632-I635 WeakPolarHBondContact OG-CD1 3.31Å; S632-I635 WeakPolarHBondContact OG-CG1 3.45Å; S632-T722 PolarHBondContact OG-O 2.92Å
633I89Confident87.7Confident47 Ų4738 Ų3824%0.24118%0.179CC..Hα-helixtrans-59.2-35.1-171.8-167.8172.5000112.9L620 K623 I635 I636 F637L620-I633 HydrophobicContact CD2-CD1 4.21Å; K623-I633 HydrophobicContact CB-CD1 4.13Å; K623-I633 HydrophobicContact CB-CG1 4.3Å; K623-I633 HydrophobicContact CG-CB 4.36Å; K623-I633 HydrophobicContact CG-CD1 4.14Å; K623-I633 HydrophobicContact CG-CG1 4.34Å; I633-I635 PolarHBondContact O-N 2.96Å; I633-I636 PolarHBondContact O-N 3.43Å; I633-F637 WeakPolarHBondContact O-CB 3.47Å; I633-F637 PolarHBondContact O-N 3.29Å
634F90Very high87.9Confident140 Ų14036.3 Ų36.361%0.61417%0.172SC*.Hα-helixtrans-63.9-35.5-179.9-65.1-73.2000113.3S632 F637 F638 W724S632-F634 VanDerWaalsContact C-N 3.25Å; S632-F634 PolarHBondContact O-N 2.97Å; F634-F637 PolarHBondContact O-N 2.9Å; F634-F638 WeakPolarHBondContact O-CB 3.26Å; F634-F638 PolarHBondContact O-N 2.82Å; F634-W724 HydrophobicContact CB-CZ2 4.1Å
635I88.7Confident88.1Confident2 Ų229.2 Ų29.21%0.0115%0.145CC..Hα-helixtrans-69.3-42.6178-65.5177.2000110.3S632 I633 F637 F638 L639 L712 T722 W724 L727S632-I635 PolarHBondContact O-N 2.71Å; S632-I635 VanDerWaalsContact O-N 3.16Å; S632-I635 VanDerWaalsContact OG-CD1 3.28Å; S632-I635 WeakPolarHBondContact OG-CD1 3.31Å; S632-I635 WeakPolarHBondContact OG-CG1 3.45Å; I633-I635 PolarHBondContact O-N 2.96Å; I635-F637 VanDerWaalsContact C-N 3.33Å; I635-F637 PolarHBondContact O-N 2.96Å; I635-F638 PolarHBondContact O-N 3.26Å; I635-L639 WeakPolarHBondContact O-CB 3.46Å; I635-L639 PolarHBondContact O-N 3.08Å; I635-L712 HydrophobicContact CG2-CD1 4.38Å; I635-L712 HydrophobicContact CG2-CD2 4.19Å; I635-T722 WeakPolarHBondContact CD1-O 3.36Å; I635-W724 HydrophobicContact CG1-CD2 4.29Å; I635-W724 HydrophobicContact CG1-CZ2 4.32Å; I635-L727 HydrophobicContact CD1-CD1 4Å; I635-L727 HydrophobicContact CG1-CD1 4.3Å; I635-L727 HydrophobicContact CG2-CD1 3.85Å
636I88.9Confident88.7Confident1 Ų128.8 Ų28.81%0.00514%0.141CC..Hα-helixtrans-61.6-43.6177.3-54.9170.4000110.2T619 L622 F628 I633 L640T619-I636 HydrophobicContact CG2-CG2 4.18Å; L622-I636 HydrophobicContact CD1-CG2 4.47Å; F628-I636 HydrophobicContact CB-CD1 3.62Å; F628-I636 HydrophobicContact CD1-CD1 4.12Å; F628-I636 HydrophobicContact CD2-CD1 4Å; F628-I636 HydrophobicContact CG-CD1 3.67Å; I633-I636 PolarHBondContact O-N 3.43Å; I636-L640 HydrophobicContact CG2-CD1 4.23Å; I636-L640 PolarHBondContact O-N 3.2Å; I636-L640 VanDerWaalsContact O-N 3.16Å
637F92.1Very high89.1Confident60 Ų6024.7 Ų24.726%0.26312%0.119SC..Hα-helixtrans-64.3-45.4176.7177.7-117.1000112.8I616 T619 I633 F634 I635 L639 L640 I641I616-F637 HydrophobicContact CG1-CD2 4.46Å; I616-F637 HydrophobicContact CG1-CE2 3.59Å; I616-F637 HydrophobicContact CG1-CZ 4.19Å; T619-F637 HydrophobicContact CG2-CB 3.95Å; T619-F637 HydrophobicContact CG2-CD2 4.15Å; I633-F637 WeakPolarHBondContact O-CB 3.47Å; I633-F637 PolarHBondContact O-N 3.29Å; F634-F637 PolarHBondContact O-N 2.9Å; I635-F637 VanDerWaalsContact C-N 3.33Å; I635-F637 PolarHBondContact O-N 2.96Å; F637-L639 PolarHBondContact O-N 2.94Å; F637-L640 PolarHBondContact O-N 3.19Å; F637-I641 HydrophobicContact CD1-CD1 4.38Å; F637-I641 HydrophobicContact CD2-CD1 4.17Å; F637-I641 HydrophobicContact CD2-CG1 4.49Å; F637-I641 HydrophobicContact CE1-CD1 3.75Å; F637-I641 HydrophobicContact CE2-CD1 3.49Å; F637-I641 VanDerWaalsContact CE2-CD1 3.49Å; F637-I641 HydrophobicContact CE2-CG1 4.15Å; F637-I641 HydrophobicContact CZ-CD1 3.27Å; F637-I641 HydrophobicContact CZ-CG1 4.37Å; F637-I641 PolarHBondContact O-N 2.75Å
638F92.1Very high89.5Confident81 Ų8124.7 Ų24.736%0.35512%0.119SC..Hα-helixtrans-67.6-35.8-179.6-156.6-90.3000112.6F634 I635 S642 W724 I743F634-F638 WeakPolarHBondContact O-CB 3.26Å; F634-F638 PolarHBondContact O-N 2.82Å; I635-F638 PolarHBondContact O-N 3.26Å; F638-S642 VanDerWaalsContact O-CB 3.31Å; F638-S642 WeakPolarHBondContact O-CB 3.06Å; F638-S642 PolarHBondContact O-N 3.41Å; F638-S642 PolarHBondContact O-OG 3.06Å; F638-W724 HydrophobicContact CB-CH2 4.12Å; F638-W724 HydrophobicContact CD2-CH2 4.29Å; F638-W724 HydrophobicContact CG-CH2 4.06Å; F638-I743 HydrophobicContact CD1-CD1 4.33Å; F638-I743 HydrophobicContact CD1-CG2 4.01Å; F638-I743 HydrophobicContact CE1-CG2 3.9Å
639L91.4Very high90Very high1 Ų125.7 Ų25.71%0.00512%0.124CC..Hα-helixtrans-62.9-47.2172.9-179.366.8000111.6I635 F637 S642 Y643 F705 L709 L712 I743 L746I635-L639 WeakPolarHBondContact O-CB 3.46Å; I635-L639 PolarHBondContact O-N 3.08Å; F637-L639 PolarHBondContact O-N 2.94Å; L639-S642 PolarHBondContact O-N 3.16Å; L639-Y643 WeakPolarHBondContact O-CB 3.3Å; L639-Y643 PolarHBondContact O-N 2.91Å; L639-F705 HydrophobicContact CD1-CD2 4.28Å; L639-F705 HydrophobicContact CD2-CD2 4.4Å; L639-F705 HydrophobicContact CD2-CE2 4.2Å; L639-F705 HydrophobicContact CG-CD2 3.94Å; L639-F705 HydrophobicContact CG-CE2 3.94Å; L639-L709 HydrophobicContact CD2-CB 4.37Å; L639-L709 HydrophobicContact CD2-CD1 4.23Å; L639-L712 HydrophobicContact CD2-CD1 3.85Å; L639-I743 HydrophobicContact CD1-CG1 3.84Å; L639-L746 HydrophobicContact CD1-CD1 4.07Å
640L91.1Very high90.7Very high0 Ų023.2 Ų23.20%011%0.111CC..Hα-helixtrans-65.9-40.7178.7-83.4161.4000112.9L562 I618 T619 L622 I636 F637 Y643 I644 F705L562-L640 HydrophobicContact CD2-CD2 3.87Å; I618-L640 HydrophobicContact CG2-CD1 4.14Å; T619-L640 HydrophobicContact CG2-CD1 3.59Å; L622-L640 HydrophobicContact CD1-CD1 4.38Å; I636-L640 HydrophobicContact CG2-CD1 4.23Å; I636-L640 PolarHBondContact O-N 3.2Å; I636-L640 VanDerWaalsContact O-N 3.16Å; F637-L640 PolarHBondContact O-N 3.19Å; L640-Y643 PolarHBondContact O-N 2.68Å; L640-I644 PolarHBondContact O-N 3.05Å; L640-I644 VanDerWaalsContact O-N 3.09Å; L640-F705 HydrophobicContact CD2-CE2 3.76Å; L640-F705 HydrophobicContact CD2-CZ 3.6Å; L640-F705 HydrophobicContact CG-CE2 4.09Å; L640-F705 HydrophobicContact CG-CZ 4.3Å
641I92.9Very high91.4Very high23 Ų2321.2 Ų21.212%0.11810%0.1CC..Hα-helixtrans-64.5-46174.3-82.1-175.8000111.6F608 L612 F637 Y643 I644 I645F608-I641 HydrophobicContact CE2-CG2 4.17Å; F608-I641 HydrophobicContact CZ-CG2 4.14Å; L612-I641 HydrophobicContact CD1-CD1 4.38Å; F637-I641 HydrophobicContact CD1-CD1 4.38Å; F637-I641 HydrophobicContact CD2-CD1 4.17Å; F637-I641 HydrophobicContact CD2-CG1 4.49Å; F637-I641 HydrophobicContact CE1-CD1 3.75Å; F637-I641 HydrophobicContact CE2-CD1 3.49Å; F637-I641 VanDerWaalsContact CE2-CD1 3.49Å; F637-I641 HydrophobicContact CE2-CG1 4.15Å; F637-I641 HydrophobicContact CZ-CD1 3.27Å; F637-I641 HydrophobicContact CZ-CG1 4.37Å; F637-I641 PolarHBondContact O-N 2.75Å; I641-Y643 PolarHBondContact O-N 2.91Å; I641-I644 PolarHBondContact O-N 2.94Å; I641-I644 VanDerWaalsContact O-N 3.16Å; I641-I645 HydrophobicContact CG2-CD1 3.83Å; I641-I645 HydrophobicContact CG2-CG1 4.5Å; I641-I645 WeakPolarHBondContact O-CG1 3.17Å; I641-I645 PolarHBondContact O-N 2.71Å
642S93.9Very high91.8Very high1 Ų121.3 Ų21.31%0.00710%0.101CC..Hα-helixtrans-59.4-39.4178.2-590000111.1F638 L639 S646 W747F638-S642 VanDerWaalsContact O-CB 3.31Å; F638-S642 WeakPolarHBondContact O-CB 3.06Å; F638-S642 PolarHBondContact O-N 3.41Å; F638-S642 PolarHBondContact O-OG 3.06Å; L639-S642 PolarHBondContact O-N 3.16Å; S642-S646 PolarHBondContact O-N 2.96Å; S642-W747 PolarHBondContact OG-NE1 2.68Å
643Y93.6Very high92Very high0 Ų021.6 Ų21.60%010%0.101CC..Hα-helixtrans-62.9-46.8175178.4-127.2000112.3L563 W566 L639 L640 I641 I645 S646 I647 Y672 Q702 F705 L746L563-Y643 HydrophobicContact CD2-CE1 3.81Å; L563-Y643 HydrophobicContact CD2-CE2 4.01Å; L563-Y643 WeakPolarHBondContact CD2-OH 3.19Å; W566-Y643 AromaticContact CD1-CE1 3.99Å; W566-Y643 HydrophobicContact CG-CE1 4.46Å; L639-Y643 WeakPolarHBondContact O-CB 3.3Å; L639-Y643 PolarHBondContact O-N 2.91Å; L640-Y643 PolarHBondContact O-N 2.68Å; I641-Y643 PolarHBondContact O-N 2.91Å; Y643-I645 PolarHBondContact O-N 3.1Å; Y643-S646 WeakPolarHBondContact O-CA 3.45Å; Y643-S646 WeakPolarHBondContact O-CB 3.44Å; Y643-S646 PolarHBondContact O-N 2.85Å; Y643-S646 VanDerWaalsContact O-N 3.08Å; Y643-S646 PolarHBondContact O-OG 3.36Å; Y643-I647 HydrophobicContact CD1-CD1 3.82Å; Y643-I647 HydrophobicContact CD2-CD1 4.42Å; Y643-I647 HydrophobicContact CD2-CG1 4.25Å; Y643-I647 HydrophobicContact CE1-CD1 3.33Å; Y643-I647 HydrophobicContact CE1-CG1 4.07Å; Y643-I647 HydrophobicContact CE2-CD1 4Å; Y643-I647 HydrophobicContact CE2-CG1 3.77Å; Y643-I647 HydrophobicContact CG-CD1 4.32Å; Y643-I647 WeakPolarHBondContact O-CG1 3.38Å; Y643-I647 PolarHBondContact O-N 3.06Å; Y643-Y672 PolarHBondContact OH-OH 3.22Å; Y643-Q702 HydrophobicContact CE2-CG 4.44Å; Y643-F705 VanDerWaalsContact CB-CD2 3.49Å; Y643-F705 HydrophobicContact CD1-CB 4.32Å; Y643-F705 AromaticContact CD1-CD1 3.92Å; Y643-F705 HydrophobicContact CD1-CD1 3.92Å; Y643-F705 AromaticContact CD1-CD2 3.92Å; Y643-F705 HydrophobicContact CD1-CD2 3.92Å; Y643-F705 HydrophobicContact CD1-CE1 4.21Å; Y643-F705 HydrophobicContact CD1-CE2 4.2Å; Y643-F705 AromaticContact CD1-CG 3.76Å; Y643-F705 HydrophobicContact CD1-CG 3.76Å; Y643-F705 HydrophobicContact CD1-CZ 4.34Å; Y643-F705 HydrophobicContact CD2-CB 3.49Å; Y643-F705 VanDerWaalsContact CD2-CB 3.49Å; Y643-F705 HydrophobicContact CD2-CD2 4.34Å; Y643-F705 AromaticContact CD2-CG 3.87Å; Y643-F705 HydrophobicContact CD2-CG 3.87Å; Y643-F705 HydrophobicContact CE1-CD1 4.09Å; Y643-F705 HydrophobicContact CE1-CE1 4.43Å; Y643-F705 HydrophobicContact CE1-CG 4.3Å; Y643-F705 HydrophobicContact CE2-CB 4Å; Y643-F705 HydrophobicContact CE2-CG 4.41Å; Y643-F705 HydrophobicContact CG-CB 3.71Å; Y643-F705 HydrophobicContact CG-CD1 4.17Å; Y643-F705 AromaticContact CG-CD2 3.65Å; Y643-F705 HydrophobicContact CG-CD2 3.65Å; Y643-F705 HydrophobicContact CG-CE2 4.33Å; Y643-F705 AromaticContact CG-CG 3.55Å; Y643-F705 HydrophobicContact CG-CG 3.55Å; Y643-L746 HydrophobicContact CD2-CD2 3.98Å
644I92.5Very high92Very high6 Ų619.7 Ų19.73%0.0319%0.091CC..Hα-helixtrans-67.7-33.7-179.7-82.6148.4000113.6W566 V611 T615 L640 I641 S646 I647 I648W566-I644 HydrophobicContact CD2-CD1 4.43Å; W566-I644 HydrophobicContact CE3-CD1 4.41Å; W566-I644 HydrophobicContact CE3-CG1 4.48Å; W566-I644 HydrophobicContact CH2-CD1 3.68Å; W566-I644 HydrophobicContact CZ2-CD1 3.65Å; W566-I644 HydrophobicContact CZ3-CD1 4.07Å; W566-I644 HydrophobicContact CZ3-CG1 4.49Å; V611-I644 HydrophobicContact CB-CG2 4.28Å; V611-I644 HydrophobicContact CG1-CB 4.42Å; V611-I644 HydrophobicContact CG1-CD1 3.67Å; V611-I644 HydrophobicContact CG1-CG1 4.05Å; V611-I644 HydrophobicContact CG1-CG2 3.64Å; T615-I644 HydrophobicContact CG2-CD1 3.14Å; L640-I644 PolarHBondContact O-N 3.05Å; L640-I644 VanDerWaalsContact O-N 3.09Å; I641-I644 PolarHBondContact O-N 2.94Å; I641-I644 VanDerWaalsContact O-N 3.16Å; I644-S646 VanDerWaalsContact C-N 3.28Å; I644-S646 PolarHBondContact O-N 2.84Å; I644-I647 HydrophobicContact CG1-CD1 3.94Å; I644-I647 PolarHBondContact O-N 3.36Å; I644-I648 HydrophobicContact CG2-CD1 3.95Å; I644-I648 WeakPolarHBondContact O-CG1 3.31Å; I644-I648 PolarHBondContact O-N 3Å
645I93.4Very high92Very high21 Ų2113 Ų1311%0.1086%0.062CC..Hα-helixtrans-58.1-44.4170.1-67.7167.6000109.9F604 F608 I641 Y643 I648 M649 W747F604-I645 HydrophobicContact CE2-CG2 4.3Å; F604-I645 HydrophobicContact CZ-CG1 4.37Å; F608-I645 HydrophobicContact CD2-CG1 4.26Å; F608-I645 HydrophobicContact CE2-CD1 4.17Å; F608-I645 HydrophobicContact CE2-CG1 3.82Å; I641-I645 HydrophobicContact CG2-CD1 3.83Å; I641-I645 HydrophobicContact CG2-CG1 4.5Å; I641-I645 WeakPolarHBondContact O-CG1 3.17Å; I641-I645 PolarHBondContact O-N 2.71Å; Y643-I645 PolarHBondContact O-N 3.1Å; I645-I648 PolarHBondContact O-N 3.18Å; I645-M649 WeakPolarHBondContact O-CG 3.5Å; I645-M649 PolarHBondContact O-N 3Å; I645-W747 HydrophobicContact CD1-CZ2 4.29Å
646S94.4Very high91.8Very high0 Ų013.5 Ų13.50%06%0.064CC..Hα-helixtrans-65.7-37.4175.882.60000113.8S642 Y643 I644 M649 F650 N701S642-S646 PolarHBondContact O-N 2.96Å; Y643-S646 WeakPolarHBondContact O-CA 3.45Å; Y643-S646 WeakPolarHBondContact O-CB 3.44Å; Y643-S646 PolarHBondContact O-N 2.85Å; Y643-S646 VanDerWaalsContact O-N 3.08Å; Y643-S646 PolarHBondContact O-OG 3.36Å; I644-S646 VanDerWaalsContact C-N 3.28Å; I644-S646 PolarHBondContact O-N 2.84Å; S646-M649 PolarHBondContact O-N 3.49Å; S646-F650 WeakPolarHBondContact O-CB 3.35Å; S646-F650 PolarHBondContact O-N 2.88Å; S646-N701 VanDerWaalsContact OG-CB 3.22Å; S646-N701 WeakPolarHBondContact OG-CB 3.35Å; S646-N701 PolarHBondContact OG-ND2 2.94Å
647I92.5Very high91.5Very high6 Ų619.4 Ų19.43%0.0319%0.09CC..Hα-helixtrans-62.6-44.3175.6-61.8166.1000110.4W566 A570 Y643 I644 M649 F650 C651W566-I647 HydrophobicContact CB-CD1 4.13Å; W566-I647 HydrophobicContact CG-CD1 4.24Å; A570-I647 HydrophobicContact CB-CG2 4.08Å; Y643-I647 HydrophobicContact CD1-CD1 3.82Å; Y643-I647 HydrophobicContact CD2-CD1 4.42Å; Y643-I647 HydrophobicContact CD2-CG1 4.25Å; Y643-I647 HydrophobicContact CE1-CD1 3.33Å; Y643-I647 HydrophobicContact CE1-CG1 4.07Å; Y643-I647 HydrophobicContact CE2-CD1 4Å; Y643-I647 HydrophobicContact CE2-CG1 3.77Å; Y643-I647 HydrophobicContact CG-CD1 4.32Å; Y643-I647 WeakPolarHBondContact O-CG1 3.38Å; Y643-I647 PolarHBondContact O-N 3.06Å; I644-I647 HydrophobicContact CG1-CD1 3.94Å; I644-I647 PolarHBondContact O-N 3.36Å; I647-M649 PolarHBondContact O-N 3.35Å; I647-F650 WeakPolarHBondContact O-CB 3.48Å; I647-F650 PolarHBondContact O-N 2.92Å; I647-C651 PolarHBondContact O-N 3.37Å; I647-C651 PolarHBondContact O-SG 3.46Å
648I92.9Very high90.9Very high2 Ų218.2 Ų18.21%0.019%0.085CC..Hα-helixtrans-63.8-42.3-178.7-64.8162.9000110.3I573 F604 F608 I644 I645 C651 F652I573-I648 HydrophobicContact CD1-CG1 4.48Å; F604-I648 HydrophobicContact CD2-CB 4.41Å; F604-I648 HydrophobicContact CD2-CG2 3.75Å; F604-I648 HydrophobicContact CE2-CD1 4.5Å; F604-I648 HydrophobicContact CE2-CG2 4.42Å; F608-I648 HydrophobicContact CB-CD1 4.39Å; F608-I648 HydrophobicContact CD2-CD1 4.45Å; I644-I648 HydrophobicContact CG2-CD1 3.95Å; I644-I648 WeakPolarHBondContact O-CG1 3.31Å; I644-I648 PolarHBondContact O-N 3Å; I645-I648 PolarHBondContact O-N 3.18Å; I648-C651 WeakPolarHBondContact O-CB 3.49Å; I648-C651 PolarHBondContact O-N 3.01Å; I648-F652 HydrophobicContact CG2-CD1 4.35Å; I648-F652 HydrophobicContact CG2-CE1 3.65Å; I648-F652 HydrophobicContact CG2-CE2 4.17Å; I648-F652 HydrophobicContact CG2-CZ 3.55Å; I648-F652 VanDerWaalsContact O-CD1 3.26Å; I648-F652 WeakPolarHBondContact O-CD1 3.24Å; I648-F652 WeakPolarHBondContact O-CG 3.42Å; I648-F652 PolarHBondContact O-N 2.82Å
649M93.9Very high90.1Very high21 Ų2120.4 Ų20.410%0.10310%0.096CC..Hα-helixtrans-68.5-36.6176-59.9-53.718000112.9F604 I645 S646 I647 C651 F652 L653 L754F604-M649 HydrophobicContact CD2-CE 3.58Å; F604-M649 HydrophobicContact CD2-SD 4.47Å; F604-M649 HydrophobicContact CE2-CE 3.69Å; F604-M649 HydrophobicContact CG-CE 4.35Å; I645-M649 WeakPolarHBondContact O-CG 3.5Å; I645-M649 PolarHBondContact O-N 3Å; S646-M649 PolarHBondContact O-N 3.49Å; I647-M649 PolarHBondContact O-N 3.35Å; M649-C651 VanDerWaalsContact C-N 3.32Å; M649-C651 PolarHBondContact O-N 3.13Å; M649-F652 PolarHBondContact O-N 3.46Å; M649-F652 HydrophobicContact SD-CD2 3.85Å; M649-F652 HydrophobicContact SD-CE2 4.06Å; M649-L653 PolarHBondContact O-N 2.93Å; M649-L653 VanDerWaalsContact O-N 3.09Å; M649-L754 HydrophobicContact CE-CD1 4.46Å; M649-L754 HydrophobicContact CE-CD2 4.48Å; M649-L754 HydrophobicContact SD-CB 4.2Å; M649-L754 HydrophobicContact SD-CD1 4.01Å
650F93.2Very high89.2Confident9 Ų926.5 Ų26.54%0.03912%0.123CC..Hα-helixtrans-60.6-41.2170.8171-103.1000111.7S646 I647 F652 L653 C654 T668 F671 Y672 I675 Y753S646-F650 WeakPolarHBondContact O-CB 3.35Å; S646-F650 PolarHBondContact O-N 2.88Å; I647-F650 WeakPolarHBondContact O-CB 3.48Å; I647-F650 PolarHBondContact O-N 2.92Å; F650-F652 VanDerWaalsContact C-N 3.34Å; F650-F652 PolarHBondContact O-N 3.21Å; F650-L653 WeakPolarHBondContact O-CB 3.33Å; F650-L653 PolarHBondContact O-N 2.82Å; F650-C654 PolarHBondContact O-N 3.46Å; F650-T668 HydrophobicContact CE1-CG2 4Å; F650-F671 HydrophobicContact CZ-CB 3.98Å; F650-Y672 HydrophobicContact CE1-CD2 4.36Å; F650-I675 HydrophobicContact CD2-CD1 4.31Å; F650-I675 HydrophobicContact CE2-CD1 3.39Å; F650-I675 HydrophobicContact CZ-CD1 3.67Å; F650-Y753 HydrophobicContact CB-CD2 3.71Å; F650-Y753 HydrophobicContact CB-CE2 3.83Å; F650-Y753 HydrophobicContact CD2-CE2 4.34Å
651C92.3Very high88.3Confident0 Ų026.7 Ų26.70%012%0.124CC..Hα-helixtrans-62.8-40.4174.6-670000111.7A570 I573 T574 I647 I648 M649 L653 C654 S655A570-C651 VanDerWaalsContact CA-SG 3.52Å; I573-C651 HydrophobicContact CB-CB 4.44Å; I573-C651 HydrophobicContact CG2-CB 3.85Å; T574-C651 HydrophobicContact CG2-CB 3.63Å; T574-C651 VanDerWaalsContact CG2-O 3.24Å; T574-C651 WeakPolarHBondContact CG2-O 3.42Å; I647-C651 PolarHBondContact O-N 3.37Å; I647-C651 PolarHBondContact O-SG 3.46Å; I648-C651 WeakPolarHBondContact O-CB 3.49Å; I648-C651 PolarHBondContact O-N 3.01Å; M649-C651 VanDerWaalsContact C-N 3.32Å; M649-C651 PolarHBondContact O-N 3.13Å; C651-L653 PolarHBondContact O-N 3.07Å; C651-C654 PolarHBondContact O-N 3.31Å; C651-S655 WeakPolarHBondContact O-CB 3.18Å; C651-S655 PolarHBondContact O-N 2.95Å
652F92.1Very high87.1Confident2 Ų226 Ų261%0.00912%0.12CC..Hα-helixtrans-62.5-44.9178.1-67.2-1.1000111.5I577 W600 W603 F604 I648 M649 F650 C654 S655 I656 T757I577-F652 HydrophobicContact CD1-CD1 3.59Å; I577-F652 HydrophobicContact CD1-CE1 3.59Å; W600-F652 HydrophobicContact CE3-CB 4.09Å; W600-F652 HydrophobicContact CE3-CD1 4.07Å; W600-F652 AromaticContact CE3-CD2 3.72Å; W600-F652 HydrophobicContact CE3-CD2 3.72Å; W600-F652 HydrophobicContact CE3-CE1 4.44Å; W600-F652 HydrophobicContact CE3-CE2 4.1Å; W600-F652 AromaticContact CE3-CG 3.7Å; W600-F652 HydrophobicContact CE3-CG 3.7Å; W600-F652 HydrophobicContact CE3-CZ 4.45Å; W600-F652 HydrophobicContact CH2-CB 4.46Å; W600-F652 HydrophobicContact CZ3-CB 3.74Å; W600-F652 AromaticContact CZ3-CD1 3.92Å; W600-F652 HydrophobicContact CZ3-CD1 3.92Å; W600-F652 HydrophobicContact CZ3-CD2 4.2Å; W600-F652 AromaticContact CZ3-CG 3.69Å; W600-F652 HydrophobicContact CZ3-CG 3.69Å; W603-F652 HydrophobicContact CB-CE1 4.27Å; W603-F652 HydrophobicContact CB-CZ 4.12Å; F604-F652 HydrophobicContact CB-CE2 4Å; F604-F652 HydrophobicContact CB-CZ 3.9Å; I648-F652 HydrophobicContact CG2-CD1 4.35Å; I648-F652 HydrophobicContact CG2-CE1 3.65Å; I648-F652 HydrophobicContact CG2-CE2 4.17Å; I648-F652 HydrophobicContact CG2-CZ 3.55Å; I648-F652 VanDerWaalsContact O-CD1 3.26Å; I648-F652 WeakPolarHBondContact O-CD1 3.24Å; I648-F652 WeakPolarHBondContact O-CG 3.42Å; I648-F652 PolarHBondContact O-N 2.82Å; M649-F652 PolarHBondContact O-N 3.46Å; M649-F652 HydrophobicContact SD-CD2 3.85Å; M649-F652 HydrophobicContact SD-CE2 4.06Å; F650-F652 VanDerWaalsContact C-N 3.34Å; F650-F652 PolarHBondContact O-N 3.21Å; F652-C654 PolarHBondContact O-N 2.7Å; F652-S655 PolarHBondContact O-N 2.88Å; F652-S655 PolarHBondContact O-OG 3.03Å; F652-I656 PolarHBondContact O-N 2.93Å; F652-T757 HydrophobicContact CB-CG2 3.89Å
653L90.9Very high86Confident31 Ų3127.8 Ų27.816%0.16213%0.13CC..Hα-helixtrans-53.9-54.7173.7-177.575.3000111.2M649 F650 C651 S655 I656 F657 Y753 M756 T757 I760M649-L653 PolarHBondContact O-N 2.93Å; M649-L653 VanDerWaalsContact O-N 3.09Å; F650-L653 WeakPolarHBondContact O-CB 3.33Å; F650-L653 PolarHBondContact O-N 2.82Å; C651-L653 PolarHBondContact O-N 3.07Å; L653-S655 VanDerWaalsContact C-N 3.31Å; L653-S655 PolarHBondContact O-N 3.33Å; L653-I656 PolarHBondContact O-N 3.24Å; L653-F657 HydrophobicContact CG-CE2 4.48Å; L653-F657 WeakPolarHBondContact O-CD2 3.47Å; L653-Y753 HydrophobicContact CD2-CD1 4.36Å; L653-M756 HydrophobicContact CD1-CB 3.49Å; L653-M756 VanDerWaalsContact CD1-CB 3.49Å; L653-T757 WeakPolarHBondContact CA-OG1 3.41Å; L653-T757 PolarHBondContact N-OG1 3.08Å; L653-I760 HydrophobicContact CD1-CD1 3.91Å
654C88.8Confident85.4Confident6 Ų627.8 Ų27.84%0.04113%0.13CC..Hα-helixtrans-59.9-40.1179.1-700000112.4T574 F650 C651 F652 I656 F657 F658 T668T574-C654 HydrophobicContact CG2-CB 4.23Å; F650-C654 PolarHBondContact O-N 3.46Å; C651-C654 PolarHBondContact O-N 3.31Å; F652-C654 PolarHBondContact O-N 2.7Å; C654-I656 PolarHBondContact O-N 3.43Å; C654-I656 VanDerWaalsContact O-N 3.1Å; C654-F657 PolarHBondContact O-N 2.93Å; C654-F658 VanDerWaalsContact O-CD2 3.22Å; C654-F658 WeakPolarHBondContact O-CD2 3.42Å; C654-T668 HydrophobicContact CB-CG2 4.1Å; C654-T668 WeakPolarHBondContact CB-OG1 3.34Å
655S89.6Confident84.6Confident0 Ų027.5 Ų27.50%013%0.129CC..Hα-helixtrans-64.9-13.3-177.6790000114.8V578 K581 W600 C651 F652 L653V578-S655 VanDerWaalsContact CG2-O 3.3Å; V578-S655 WeakPolarHBondContact CG2-O 3.28Å; K581-S655 PolarHBondContact NZ-O 3.04Å; W600-S655 WeakPolarHBondContact CH2-OG 3.26Å; C651-S655 WeakPolarHBondContact O-CB 3.18Å; C651-S655 PolarHBondContact O-N 2.95Å; F652-S655 PolarHBondContact O-N 2.88Å; F652-S655 PolarHBondContact O-OG 3.03Å; L653-S655 VanDerWaalsContact C-N 3.31Å; L653-S655 PolarHBondContact O-N 3.33Å
656I85.9Confident83.5Confident12 Ų1226.7 Ų26.76%0.06212%0.124CC..Hα-helixtrans-82.2-34.6-178.7-74165.1000112.6W600 F652 L653 C654 F658 T757 I760 E761 I764W600-I656 HydrophobicContact CH2-CD1 4.11Å; W600-I656 HydrophobicContact CH2-CG1 3.85Å; W600-I656 HydrophobicContact CZ2-CD1 3.91Å; W600-I656 HydrophobicContact CZ2-CG1 3.87Å; F652-I656 PolarHBondContact O-N 2.93Å; L653-I656 PolarHBondContact O-N 3.24Å; C654-I656 PolarHBondContact O-N 3.43Å; C654-I656 VanDerWaalsContact O-N 3.1Å; I656-F658 PolarHBondContact O-N 3.31Å; I656-T757 HydrophobicContact CD1-CG2 3.4Å; I656-T757 VanDerWaalsContact CD1-CG2 3.4Å; I656-T757 WeakPolarHBondContact CD1-O 3.45Å; I656-I760 HydrophobicContact CG2-CB 4.17Å; I656-I760 HydrophobicContact CG2-CG2 3.59Å; I656-E761 HydrophobicContact CD1-CB 4.09Å; I656-I764 HydrophobicContact CG2-CD1 3.68Å
657F82.1Confident82.7Confident126 Ų12627.6 Ų27.655%0.55313%0.13SC*.SBendtrans-72.1-12.4-176.3-66.6-78.5000114.4L653 C654 I760L653-F657 HydrophobicContact CG-CE2 4.48Å; L653-F657 WeakPolarHBondContact O-CD2 3.47Å; C654-F657 PolarHBondContact O-N 2.93Å; F657-I760 HydrophobicContact CE1-CG2 4.31Å; F657-I760 HydrophobicContact CE2-CD1 4.25Å; F657-I760 HydrophobicContact CZ-CD1 3.75Å; F657-I760 HydrophobicContact CZ-CG2 4.44Å
658F78.7Confident82.3Confident35 Ų3527.3 Ų27.315%0.15413%0.128CC..  trans-122.4137.8-171.7-54.6-70.8000112.8V578 C654 I656 L663 S664 V667V578-F658 WeakPolarHBondContact CG1-O 3.5Å; C654-F658 VanDerWaalsContact O-CD2 3.22Å; C654-F658 WeakPolarHBondContact O-CD2 3.42Å; I656-F658 PolarHBondContact O-N 3.31Å; F658-L663 HydrophobicContact CD1-CD2 3.81Å; F658-L663 HydrophobicContact CD1-CG 3.99Å; F658-L663 HydrophobicContact CE1-CD2 4.13Å; F658-L663 HydrophobicContact CE1-CG 4.19Å; F658-S664 WeakPolarHBondContact CD2-OG 3.29Å; F658-V667 HydrophobicContact CE1-CB 4.48Å; F658-V667 HydrophobicContact CE1-CG2 4.5Å; F658-V667 HydrophobicContact CE2-CB 4.28Å; F658-V667 HydrophobicContact CE2-CG1 4.25Å; F658-V667 HydrophobicContact CZ-CB 3.85Å; F658-V667 HydrophobicContact CZ-CG1 3.64Å; F658-V667 HydrophobicContact CZ-CG2 4.32Å
659Q76.1Confident81.5Confident126 Ų12627.4 Ų27.459%0.58913%0.129SC*.SBendtrans-97.9-20.3170.5-72.5173-24.700112.8Y768Q659-Y768 PolarHBondContact NE2-OH 3.38Å
660K73.2Confident80.5Confident130 Ų13026.7 Ų26.757%0.56513%0.126SC*.SBendtrans-102119.4176.6-66.7-166.3174.7-171.10110.5N662 L663 S664K660-N662 VanDerWaalsContact C-N 3.26Å; K660-N662 PolarHBondContact O-N 2.96Å; K660-L663 HydrophobicContact CB-CB 4.5Å; K660-L663 PolarHBondContact O-N 3.32Å; K660-S664 PolarHBondContact O-N 3.49Å
661S71.7Confident80Confident4 Ų430.7 Ų30.73%0.02814%0.144CC..Hα-helixtrans-58-36.1-168.952.70000114.2K575 V578 E582 S664 A665K575-S661 WeakPolarHBondContact O-CB 3.35Å; V578-S661 VanDerWaalsContact CG1-CA 3.48Å; E582-S661 VanDerWaalsContact OE2-CB 3.22Å; E582-S661 WeakPolarHBondContact OE2-CB 3.44Å; E582-S661 PolarHBondContact OE2-N 3.32Å; E582-S661 PolarHBondContact OE2-OG 2.87Å; S661-S664 WeakPolarHBondContact O-CB 3.4Å; S661-A665 PolarHBondContact O-N 3.09Å
662N68.3Low79.6Confident7 Ų730.9 Ų30.94%0.03714%0.144CC..Hα-helixtrans-90.2-28.8-170.7-69.3-79000113.1K575 K660 S664 I666 S1750 T1751 V1754K575-N662 VanDerWaalsContact CE-OD1 3.25Å; K575-N662 WeakPolarHBondContact CE-OD1 3.42Å; K660-N662 VanDerWaalsContact C-N 3.26Å; K660-N662 PolarHBondContact O-N 2.96Å; N662-S664 VanDerWaalsContact C-N 3.33Å; N662-I666 VanDerWaalsContact O-CD1 3.23Å; N662-I666 WeakPolarHBondContact O-CD1 3.47Å; N662-I666 WeakPolarHBondContact O-CG1 3.47Å; N662-I666 PolarHBondContact O-N 3.02Å; N662-S1750 WeakPolarHBondContact CB-O 3.43Å; N662-S1750 VanDerWaalsContact ND2-CB 3.26Å; N662-S1750 WeakPolarHBondContact ND2-CB 3.35Å; N662-S1750 PolarHBondContact ND2-OG 2.87Å; N662-S1750 PolarHBondContact OD1-O 3.15Å; N662-T1751 WeakPolarHBondContact OD1-CA 3.43Å; N662-V1754 HydrophobicContact CB-CG2 3.52Å; N662-V1754 WeakPolarHBondContact O-CG2 3.49Å; N662-V1754 WeakPolarHBondContact OD1-CG2 3.31Å
663L70.5Confident78.7Confident40 Ų4031.3 Ų31.321%0.20915%0.146CC..Hα-helixtrans-62.1-44.3163.9174.562.9000110.3F658 K660 A665 I666 V667 L1306 I1310F658-L663 HydrophobicContact CD1-CD2 3.81Å; F658-L663 HydrophobicContact CD1-CG 3.99Å; F658-L663 HydrophobicContact CE1-CD2 4.13Å; F658-L663 HydrophobicContact CE1-CG 4.19Å; K660-L663 HydrophobicContact CB-CB 4.5Å; K660-L663 PolarHBondContact O-N 3.32Å; L663-A665 VanDerWaalsContact C-N 3.31Å; L663-A665 PolarHBondContact O-N 2.9Å; L663-I666 PolarHBondContact O-N 3.29Å; L663-V667 HydrophobicContact CD1-CG2 3.63Å; L663-V667 HydrophobicContact CG-CG2 4.27Å; L663-V667 WeakPolarHBondContact O-CG2 3.37Å; L663-V667 PolarHBondContact O-N 3.32Å; L663-L1306 HydrophobicContact CB-CD1 4.46Å; L663-L1306 HydrophobicContact CD1-CD1 3.83Å; L663-L1306 HydrophobicContact CD2-CD1 3.78Å; L663-L1306 HydrophobicContact CG-CD1 4.22Å; L663-I1310 HydrophobicContact CD1-CD1 4.36Å
664S79.8Confident78.1Confident0 Ų032.4 Ų32.40%015%0.152CC..Hα-helixtrans-54.3-47.7179.1-165.80000111.8F658 K660 S661 N662 T668F658-S664 WeakPolarHBondContact CD2-OG 3.29Å; K660-S664 PolarHBondContact O-N 3.49Å; S661-S664 WeakPolarHBondContact O-CB 3.4Å; N662-S664 VanDerWaalsContact C-N 3.33Å; S664-T668 VanDerWaalsContact O-CB 3.28Å; S664-T668 WeakPolarHBondContact O-CB 3.47Å; S664-T668 PolarHBondContact O-N 3.42Å; S664-T668 PolarHBondContact O-OG1 3.24Å
665A75.8Confident77.9Confident0 Ų034 Ų340%016%0.159CC..Hα-helixtrans-60.7-47.6-178.500000112.4M571 K575 S661 L663 T668 G669 V1754M571-A665 HydrophobicContact CB-CB 4.35Å; M571-A665 VanDerWaalsContact CE-O 3.25Å; M571-A665 WeakPolarHBondContact CE-O 3.37Å; M571-A665 WeakPolarHBondContact CG-O 3.44Å; M571-A665 WeakPolarHBondContact O-CB 3.11Å; K575-A665 HydrophobicContact CB-CB 4.13Å; S661-A665 PolarHBondContact O-N 3.09Å; L663-A665 VanDerWaalsContact C-N 3.31Å; L663-A665 PolarHBondContact O-N 2.9Å; A665-T668 PolarHBondContact O-N 3.28Å; A665-G669 PolarHBondContact O-N 3.23Å; A665-V1754 HydrophobicContact CB-CB 4.39Å; A665-V1754 HydrophobicContact CB-CG1 3.6Å; A665-V1754 HydrophobicContact CB-CG2 3.79Å
666I71.2Confident77.4Confident4 Ų434.5 Ų34.52%0.02116%0.161CC..Hα-helixtrans-65.7-47-177.3-66.6153000111.3N662 L663 T668 G669 L670 L1653 L1753 V1754N662-I666 VanDerWaalsContact O-CD1 3.23Å; N662-I666 WeakPolarHBondContact O-CD1 3.47Å; N662-I666 WeakPolarHBondContact O-CG1 3.47Å; N662-I666 PolarHBondContact O-N 3.02Å; L663-I666 PolarHBondContact O-N 3.29Å; I666-T668 VanDerWaalsContact C-N 3.29Å; I666-T668 PolarHBondContact O-N 2.98Å; I666-G669 PolarHBondContact O-N 3.13Å; I666-L670 HydrophobicContact CG2-CD1 3.92Å; I666-L670 PolarHBondContact O-N 3.27Å; I666-L1653 HydrophobicContact CG2-CD2 3.79Å; I666-L1753 HydrophobicContact CD1-CB 4.27Å; I666-L1753 HydrophobicContact CD1-CD1 4.45Å; I666-L1753 HydrophobicContact CD1-CD2 3.32Å; I666-L1753 HydrophobicContact CD1-CG 3.37Å; I666-V1754 HydrophobicContact CD1-CG2 4.11Å; I666-V1754 HydrophobicContact CG1-CG2 4.14Å
667V76.6Confident76.9Confident19 Ų1934.4 Ų34.412%0.11516%0.161CC..Hα-helixtrans-68.3-31.8179-179.30000111.1F658 L663 L670 F671F658-V667 HydrophobicContact CE1-CB 4.48Å; F658-V667 HydrophobicContact CE1-CG2 4.5Å; F658-V667 HydrophobicContact CE2-CB 4.28Å; F658-V667 HydrophobicContact CE2-CG1 4.25Å; F658-V667 HydrophobicContact CZ-CB 3.85Å; F658-V667 HydrophobicContact CZ-CG1 3.64Å; F658-V667 HydrophobicContact CZ-CG2 4.32Å; L663-V667 HydrophobicContact CD1-CG2 3.63Å; L663-V667 HydrophobicContact CG-CG2 4.27Å; L663-V667 WeakPolarHBondContact O-CG2 3.37Å; L663-V667 PolarHBondContact O-N 3.32Å; V667-L670 PolarHBondContact O-N 3.07Å; V667-F671 HydrophobicContact CG1-CD2 3.75Å; V667-F671 HydrophobicContact CG1-CE2 3.43Å; V667-F671 VanDerWaalsContact CG1-CE2 3.43Å; V667-F671 HydrophobicContact CG1-CZ 4.06Å; V667-F671 WeakPolarHBondContact O-CD2 3.38Å; V667-F671 PolarHBondContact O-N 2.9Å
668T83.9Confident76.8Confident0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-63.9-45.6170.7-55.40000111.4T574 F650 C654 S664 A665 I666 L670 F671 Y672T574-T668 HydrophobicContact CG2-CG2 3.72Å; T574-T668 PolarHBondContact OG1-OG1 2.85Å; F650-T668 HydrophobicContact CE1-CG2 4Å; C654-T668 HydrophobicContact CB-CG2 4.1Å; C654-T668 WeakPolarHBondContact CB-OG1 3.34Å; S664-T668 VanDerWaalsContact O-CB 3.28Å; S664-T668 WeakPolarHBondContact O-CB 3.47Å; S664-T668 PolarHBondContact O-N 3.42Å; S664-T668 PolarHBondContact O-OG1 3.24Å; A665-T668 PolarHBondContact O-N 3.28Å; I666-T668 VanDerWaalsContact C-N 3.29Å; I666-T668 PolarHBondContact O-N 2.98Å; T668-L670 VanDerWaalsContact C-N 3.3Å; T668-L670 PolarHBondContact O-N 2.72Å; T668-F671 PolarHBondContact O-N 3.02Å; T668-Y672 VanDerWaalsContact O-CB 3.25Å; T668-Y672 WeakPolarHBondContact O-CB 3.43Å; T668-Y672 PolarHBondContact O-N 2.91Å
669G76.7Confident76.9Confident3 Ų328.5 Ų28.53%0.03114%0.139CC..Hα-helixtrans-62.8-35.5175.900000113.3A665 I666 Y672 F673A665-G669 PolarHBondContact O-N 3.23Å; I666-G669 PolarHBondContact O-N 3.13Å; G669-Y672 WeakPolarHBondContact O-CB 3.26Å; G669-Y672 PolarHBondContact O-N 3.26Å; G669-F673 PolarHBondContact O-N 3.38Å
670L73.4Confident76.6Confident6 Ų622.7 Ų22.73%0.03111%0.112CC..Hα-helixtrans-72.2-43.1175.1-83.4156.7000113I666 V667 T668 Y672 F673 I674 L1314 V1318 L1649 L1653I666-L670 HydrophobicContact CG2-CD1 3.92Å; I666-L670 PolarHBondContact O-N 3.27Å; V667-L670 PolarHBondContact O-N 3.07Å; T668-L670 VanDerWaalsContact C-N 3.3Å; T668-L670 PolarHBondContact O-N 2.72Å; L670-Y672 VanDerWaalsContact C-N 3.29Å; L670-Y672 PolarHBondContact O-N 3.34Å; L670-F673 PolarHBondContact O-N 3.01Å; L670-F673 VanDerWaalsContact O-N 3.13Å; L670-I674 VanDerWaalsContact O-CG1 3.31Å; L670-I674 WeakPolarHBondContact O-CG1 3.42Å; L670-I674 PolarHBondContact O-N 3.29Å; L670-L1314 HydrophobicContact CD1-CD1 3.97Å; L670-L1314 HydrophobicContact CD1-CD2 3.45Å; L670-L1314 VanDerWaalsContact CD1-CD2 3.45Å; L670-L1314 HydrophobicContact CD1-CG 3.69Å; L670-V1318 HydrophobicContact CD2-CG2 3.68Å; L670-L1649 HydrophobicContact CD2-CD1 3.96Å; L670-L1649 HydrophobicContact CD2-CD2 4.06Å; L670-L1649 HydrophobicContact CD2-CG 4.17Å; L670-L1653 HydrophobicContact CD1-CD1 3.92Å; L670-L1653 HydrophobicContact CD2-CD1 3.99Å; L670-L1653 HydrophobicContact CG-CD1 4.29Å
671F81.9Confident76.5Confident93 Ų9316.7 Ų16.741%0.4089%0.086SC..Hα-helixtrans-61.2-41.6170.8-74.8-45.2000111F650 V667 T668 F673 I674 I675F650-F671 HydrophobicContact CZ-CB 3.98Å; V667-F671 HydrophobicContact CG1-CD2 3.75Å; V667-F671 HydrophobicContact CG1-CE2 3.43Å; V667-F671 VanDerWaalsContact CG1-CE2 3.43Å; V667-F671 HydrophobicContact CG1-CZ 4.06Å; V667-F671 WeakPolarHBondContact O-CD2 3.38Å; V667-F671 PolarHBondContact O-N 2.9Å; T668-F671 PolarHBondContact O-N 3.02Å; F671-F673 VanDerWaalsContact C-N 3.26Å; F671-F673 PolarHBondContact O-N 3.2Å; F671-I674 HydrophobicContact CD1-CD1 4.38Å; F671-I674 PolarHBondContact O-N 3.03Å; F671-I674 VanDerWaalsContact O-N 3.15Å; F671-I675 HydrophobicContact CB-CD1 4.47Å; F671-I675 VanDerWaalsContact O-CB 3.26Å; F671-I675 WeakPolarHBondContact O-CB 3.49Å; F671-I675 WeakPolarHBondContact O-CD1 3.25Å; F671-I675 WeakPolarHBondContact O-CG1 3.46Å; F671-I675 PolarHBondContact O-N 3.21Å
672Y83.9Confident76.8Confident5 Ų516.7 Ų16.72%0.029%0.085CC..Hα-helixtrans-56.1-39.5172.8-169-82.4000111.7L563 W566 I567 A570 Y643 F650 T668 G669 L670 Y676 Q702L563-Y672 PolarHBondContact O-OH 3.22Å; W566-Y672 WeakPolarHBondContact CB-OH 3.25Å; I567-Y672 HydrophobicContact CB-CD1 3.89Å; I567-Y672 HydrophobicContact CB-CE1 3.84Å; I567-Y672 HydrophobicContact CD1-CD1 3.9Å; I567-Y672 HydrophobicContact CD1-CG 4.46Å; I567-Y672 HydrophobicContact CG1-CD1 3.69Å; I567-Y672 HydrophobicContact CG1-CE1 4.18Å; I567-Y672 HydrophobicContact CG1-CG 4.05Å; A570-Y672 HydrophobicContact CB-CD2 4.21Å; A570-Y672 HydrophobicContact CB-CE2 4.41Å; Y643-Y672 PolarHBondContact OH-OH 3.22Å; F650-Y672 HydrophobicContact CE1-CD2 4.36Å; T668-Y672 VanDerWaalsContact O-CB 3.25Å; T668-Y672 WeakPolarHBondContact O-CB 3.43Å; T668-Y672 PolarHBondContact O-N 2.91Å; G669-Y672 WeakPolarHBondContact O-CB 3.26Å; G669-Y672 PolarHBondContact O-N 3.26Å; L670-Y672 VanDerWaalsContact C-N 3.29Å; L670-Y672 PolarHBondContact O-N 3.34Å; Y672-Y676 PolarHBondContact O-N 3.42Å; Y672-Q702 VanDerWaalsContact CD1-NE2 3.32Å; Y672-Q702 PolarHBondContact O-NE2 3.4Å; Y672-Q702 PolarHBondContact O-OE1 2.96Å; Y672-Q702 VanDerWaalsContact O-OE1 3.06Å
673F74.6Confident77Confident10 Ų1016.4 Ų16.44%0.0448%0.084CC..Hα-helixtrans-76.2-31.6174.9-98.1-64000114.9L564 I567 G669 L670 F671 Y676 F1646 L1649 L1761L564-F673 HydrophobicContact CD1-CE1 3.97Å; L564-F673 HydrophobicContact CD1-CZ 3.89Å; L564-F673 HydrophobicContact CG-CE1 4.44Å; L564-F673 HydrophobicContact CG-CZ 4.03Å; I567-F673 HydrophobicContact CD1-CD2 3.38Å; I567-F673 HydrophobicContact CD1-CE2 3.25Å; I567-F673 HydrophobicContact CD1-CG 4.5Å; I567-F673 HydrophobicContact CD1-CZ 4.31Å; G669-F673 PolarHBondContact O-N 3.38Å; L670-F673 PolarHBondContact O-N 3.01Å; L670-F673 VanDerWaalsContact O-N 3.13Å; F671-F673 VanDerWaalsContact C-N 3.26Å; F671-F673 PolarHBondContact O-N 3.2Å; F673-Y676 WeakPolarHBondContact O-CB 3.41Å; F673-Y676 PolarHBondContact O-N 3.01Å; F673-F1646 HydrophobicContact CB-CE1 4.09Å; F673-F1646 HydrophobicContact CD1-CE1 4.05Å; F673-F1646 HydrophobicContact CD1-CZ 4.17Å; F673-F1646 HydrophobicContact CG-CE1 4.43Å; F673-F1646 WeakPolarHBondContact O-CZ 3.24Å; F673-L1649 HydrophobicContact CB-CD2 3.63Å; F673-L1649 HydrophobicContact CD1-CD2 4.33Å; F673-L1649 HydrophobicContact CD2-CD1 4.32Å; F673-L1649 HydrophobicContact CD2-CD2 3.82Å; F673-L1649 HydrophobicContact CG-CD2 3.66Å; F673-L1761 HydrophobicContact CD2-CD1 4.05Å; F673-L1761 HydrophobicContact CE2-CD1 3.38Å; F673-L1761 HydrophobicContact CE2-CD2 3.6Å; F673-L1761 HydrophobicContact CE2-CG 4.09Å; F673-L1761 HydrophobicContact CZ-CD1 4Å; F673-L1761 HydrophobicContact CZ-CD2 3.86Å; F673-L1761 HydrophobicContact CZ-CG 4.41Å
674I77Confident76.8Confident55 Ų5516 Ų1628%0.2828%0.081SC..Hα-helixtrans-69-40.2175.6-68.8162.4000110.4L670 F671 Y676 I677 L1321L670-I674 VanDerWaalsContact O-CG1 3.31Å; L670-I674 WeakPolarHBondContact O-CG1 3.42Å; L670-I674 PolarHBondContact O-N 3.29Å; F671-I674 HydrophobicContact CD1-CD1 4.38Å; F671-I674 PolarHBondContact O-N 3.03Å; F671-I674 VanDerWaalsContact O-N 3.15Å; I674-Y676 PolarHBondContact O-N 3.08Å; I674-I677 WeakPolarHBondContact O-CB 3.4Å; I674-I677 PolarHBondContact O-N 3.36Å; I674-L1321 HydrophobicContact CG2-CD1 4.2Å; I674-L1321 HydrophobicContact CG2-CD2 4.39Å
675I84.3Confident76.3Confident39 Ų3917.2 Ų17.220%0.29%0.088CC..Hα-helixtrans-65.4-20178.1-71.6170.4000112.3F650 F671 S700 Q702F650-I675 HydrophobicContact CD2-CD1 4.31Å; F650-I675 HydrophobicContact CE2-CD1 3.39Å; F650-I675 HydrophobicContact CZ-CD1 3.67Å; F671-I675 HydrophobicContact CB-CD1 4.47Å; F671-I675 VanDerWaalsContact O-CB 3.26Å; F671-I675 WeakPolarHBondContact O-CB 3.49Å; F671-I675 WeakPolarHBondContact O-CD1 3.25Å; F671-I675 WeakPolarHBondContact O-CG1 3.46Å; F671-I675 PolarHBondContact O-N 3.21Å; I675-S700 WeakPolarHBondContact CG2-OG 3.12Å; I675-S700 PolarHBondContact O-OG 3.39Å; I675-Q702 HydrophobicContact CG2-CB 4.28Å; I675-Q702 HydrophobicContact CG2-CG 3.98Å
676Y79.7Confident75.9Confident10 Ų1019 Ų194%0.03910%0.096CC..Hα-helixtrans-81.6-28.7176.7168.7-91.2000113.5Q560 L563 Y672 F673 I674 P678 I679 Q702 F1646Q560-Y676 HydrophobicContact CB-CE2 4.1Å; Q560-Y676 WeakPolarHBondContact CB-OH 3.34Å; Q560-Y676 HydrophobicContact CG-CE2 4.25Å; Q560-Y676 PolarHBondContact OE1-OH 3.26Å; L563-Y676 HydrophobicContact CD1-CD2 4.17Å; L563-Y676 HydrophobicContact CD1-CE2 4.46Å; Y672-Y676 PolarHBondContact O-N 3.42Å; F673-Y676 WeakPolarHBondContact O-CB 3.41Å; F673-Y676 PolarHBondContact O-N 3.01Å; I674-Y676 PolarHBondContact O-N 3.08Å; Y676-P678 VanDerWaalsContact O-N 3.17Å; Y676-I679 HydrophobicContact CD2-CD1 3.96Å; Y676-I679 VanDerWaalsContact O-CB 3.3Å; Y676-I679 WeakPolarHBondContact O-CB 3.43Å; Y676-I679 WeakPolarHBondContact O-CG1 3.26Å; Y676-I679 PolarHBondContact O-N 3.33Å; Y676-Q702 VanDerWaalsContact CB-OE1 3.23Å; Y676-F1646 HydrophobicContact CD1-CE2 4.3Å; Y676-F1646 HydrophobicContact CD1-CZ 4.04Å; Y676-F1646 HydrophobicContact CE1-CE2 4.46Å
677I76Confident75.1Confident11 Ų1124.2 Ų24.26%0.05612%0.119CC..THydrogen-bonded Turntrans-50.8-41.2-172.9-67.9168.5000114.4I674 I679 P680 L681 L1321 V1322 S1325 F1646I674-I677 WeakPolarHBondContact O-CB 3.4Å; I674-I677 PolarHBondContact O-N 3.36Å; I677-I679 PolarHBondContact O-N 3.46Å; I677-P680 WeakPolarHBondContact O-CD 3.24Å; I677-P680 WeakPolarHBondContact O-CG 3.44Å; I677-L681 HydrophobicContact CG2-CD1 4.08Å; I677-L1321 HydrophobicContact CD1-CD2 3.46Å; I677-L1321 VanDerWaalsContact CD1-CD2 3.46Å; I677-V1322 HydrophobicContact CD1-CG2 3.64Å; I677-V1322 HydrophobicContact CG1-CG2 4.28Å; I677-S1325 VanDerWaalsContact CG2-OG 3.26Å; I677-S1325 WeakPolarHBondContact CG2-OG 3.45Å; I677-F1646 HydrophobicContact CD1-CE1 4.1Å; I677-F1646 HydrophobicContact CD1-CZ 3.98Å; I677-F1646 HydrophobicContact CG1-CE1 3.92Å; I677-F1646 HydrophobicContact CG1-CE2 3.77Å; I677-F1646 HydrophobicContact CG1-CZ 3.3Å
678P79.6Confident74.3Confident36 Ų3630 Ų3023%0.23414%0.139CC..Hα-helixtrans-63.2-23.1-179.8-23.235000114.2Y676 L681 I682 V703Y676-P678 VanDerWaalsContact O-N 3.17Å; P678-L681 WeakPolarHBondContact O-CB 3.27Å; P678-L681 PolarHBondContact O-N 2.79Å; P678-I682 HydrophobicContact CB-CD1 3.89Å; P678-I682 WeakPolarHBondContact O-CB 3.43Å; P678-I682 WeakPolarHBondContact O-CD1 3.44Å; P678-I682 WeakPolarHBondContact O-CG1 3.37Å; P678-I682 PolarHBondContact O-N 3.42Å; P678-V703 HydrophobicContact CB-CG2 4.03Å; P678-V703 HydrophobicContact CG-CG2 4.41Å
679I80.1Confident73.5Confident1 Ų130.6 Ų30.61%0.00514%0.142CC..Hα-helixtrans-63.7-56.4-169.6-61.7173.5000113.1Q560 L563 Y676 I677 L681 I682 L683 Q702 V703 S706Q560-I679 HydrophobicContact CG-CG2 4.07Å; L563-I679 HydrophobicContact CD1-CD1 3.36Å; Y676-I679 HydrophobicContact CD2-CD1 3.96Å; Y676-I679 VanDerWaalsContact O-CB 3.3Å; Y676-I679 WeakPolarHBondContact O-CB 3.43Å; Y676-I679 WeakPolarHBondContact O-CG1 3.26Å; Y676-I679 PolarHBondContact O-N 3.33Å; I677-I679 PolarHBondContact O-N 3.46Å; I679-L681 VanDerWaalsContact C-N 3.25Å; I679-L681 PolarHBondContact O-N 3.21Å; I679-I682 PolarHBondContact O-N 3.18Å; I679-L683 HydrophobicContact CG2-CD1 3.68Å; I679-L683 HydrophobicContact CG2-CG 4.38Å; I679-L683 WeakPolarHBondContact O-CB 3.48Å; I679-L683 VanDerWaalsContact O-CG 3.32Å; I679-L683 WeakPolarHBondContact O-CG 3.46Å; I679-L683 PolarHBondContact O-N 3.42Å; I679-Q702 HydrophobicContact CD1-CB 3.79Å; I679-Q702 WeakPolarHBondContact CD1-O 3.34Å; I679-V703 HydrophobicContact CD1-CG2 4.26Å; I679-V703 HydrophobicContact CG1-CB 4.34Å; I679-V703 HydrophobicContact CG1-CG2 3.61Å; I679-S706 WeakPolarHBondContact CG2-OG 3.07Å
680P70.5Confident73.2Confident3 Ų336.4 Ų36.42%0.01917%0.166CC..Hα-helixtrans-59.3-36.6174.422.3-34.1000112.4I677 M684 T1642I677-P680 WeakPolarHBondContact O-CD 3.24Å; I677-P680 WeakPolarHBondContact O-CG 3.44Å; P680-M684 WeakPolarHBondContact O-CB 3.4Å; P680-M684 WeakPolarHBondContact O-CG 3.42Å; P680-M684 PolarHBondContact O-N 2.99Å; P680-M684 VanDerWaalsContact O-N 3.09Å; P680-M684 VanDerWaalsContact O-SD 3.42Å; P680-T1642 HydrophobicContact CB-CG2 3.77Å; P680-T1642 HydrophobicContact CG-CG2 3.76Å
681L71.7Confident73.3Confident4 Ų439.7 Ų39.72%0.02118%0.181CC..Hα-helixtrans-63.1-46.5178.3-67.4161.3000111.6I677 P678 I679 M684 N685 L1326 F1329 Y1639I677-L681 HydrophobicContact CG2-CD1 4.08Å; P678-L681 WeakPolarHBondContact O-CB 3.27Å; P678-L681 PolarHBondContact O-N 2.79Å; I679-L681 VanDerWaalsContact C-N 3.25Å; I679-L681 PolarHBondContact O-N 3.21Å; L681-M684 PolarHBondContact O-N 3.25Å; L681-N685 WeakPolarHBondContact O-CB 3.37Å; L681-N685 PolarHBondContact O-N 2.88Å; L681-L1326 HydrophobicContact CD2-CD2 4.24Å; L681-F1329 HydrophobicContact CB-CD2 4.04Å; L681-F1329 HydrophobicContact CB-CE2 4.15Å; L681-F1329 HydrophobicContact CB-CG 4.23Å; L681-F1329 HydrophobicContact CB-CZ 4.45Å; L681-F1329 HydrophobicContact CD1-CD2 3.82Å; L681-F1329 HydrophobicContact CD1-CE2 3.95Å; L681-F1329 HydrophobicContact CD2-CB 3.76Å; L681-F1329 HydrophobicContact CD2-CD2 3.75Å; L681-F1329 HydrophobicContact CD2-CG 3.91Å; L681-F1329 HydrophobicContact CG-CD2 4.09Å; L681-F1329 HydrophobicContact CG-CE2 4.46Å; L681-Y1639 HydrophobicContact CD2-CD1 4.39Å; L681-Y1639 HydrophobicContact CD2-CE1 3.74Å
682I76.9Confident73.2Confident4 Ų440.6 Ų40.62%0.02119%0.187CC..Hα-helixtrans-67.6-47.9177.4-64.3160.3000110.8P678 I679 M684 N685 E686 I689 T697 V703 L707P678-I682 HydrophobicContact CB-CD1 3.89Å; P678-I682 WeakPolarHBondContact O-CB 3.43Å; P678-I682 WeakPolarHBondContact O-CD1 3.44Å; P678-I682 WeakPolarHBondContact O-CG1 3.37Å; P678-I682 PolarHBondContact O-N 3.42Å; I679-I682 PolarHBondContact O-N 3.18Å; I682-M684 PolarHBondContact O-N 2.84Å; I682-M684 VanDerWaalsContact O-N 3.1Å; I682-N685 PolarHBondContact O-N 2.81Å; I682-E686 WeakPolarHBondContact O-CA 3.44Å; I682-E686 PolarHBondContact O-N 2.96Å; I682-I689 HydrophobicContact CB-CD1 4.2Å; I682-I689 HydrophobicContact CG1-CD1 4.08Å; I682-I689 HydrophobicContact CG2-CD1 4.19Å; I682-T697 HydrophobicContact CD1-CG2 4.36Å; I682-T697 WeakPolarHBondContact CD1-OG1 3.23Å; I682-V703 HydrophobicContact CD1-CG1 3.89Å; I682-L707 HydrophobicContact CG2-CD1 4.48Å; I682-L707 HydrophobicContact CG2-CD2 3.91Å
683L73Confident73.1Confident2 Ų244.1 Ų44.11%0.0121%0.205CC..Hα-helixtrans-64.7-15.6-179.6-69.9173000113.6K556 Q560 I679 L707 Y710K556-L683 WeakPolarHBondContact CE-O 3Å; K556-L683 PolarHBondContact NZ-O 3.1Å; Q560-L683 HydrophobicContact CG-CD1 4.37Å; I679-L683 HydrophobicContact CG2-CD1 3.68Å; I679-L683 HydrophobicContact CG2-CG 4.38Å; I679-L683 WeakPolarHBondContact O-CB 3.48Å; I679-L683 VanDerWaalsContact O-CG 3.32Å; I679-L683 WeakPolarHBondContact O-CG 3.46Å; I679-L683 PolarHBondContact O-N 3.42Å; L683-L707 HydrophobicContact CD2-CD2 4.03Å; L683-Y710 HydrophobicContact CD2-CD1 3.52Å; L683-Y710 HydrophobicContact CD2-CD2 3.95Å; L683-Y710 HydrophobicContact CD2-CE1 4.03Å; L683-Y710 HydrophobicContact CD2-CE2 4.43Å; L683-Y710 HydrophobicContact CD2-CG 3.48Å; L683-Y710 VanDerWaalsContact CD2-CG 3.48Å
684M66.8Low73.4Confident30 Ų3043.9 Ų43.915%0.14820%0.204CC..Hα-helixtrans-95.5-37.3173.6-68.8167.968.800112.6P680 L681 I682 T1635 L1638 Y1639P680-M684 WeakPolarHBondContact O-CB 3.4Å; P680-M684 WeakPolarHBondContact O-CG 3.42Å; P680-M684 PolarHBondContact O-N 2.99Å; P680-M684 VanDerWaalsContact O-N 3.09Å; P680-M684 VanDerWaalsContact O-SD 3.42Å; L681-M684 PolarHBondContact O-N 3.25Å; I682-M684 PolarHBondContact O-N 2.84Å; I682-M684 VanDerWaalsContact O-N 3.1Å; M684-T1635 HydrophobicContact CE-CG2 4.28Å; M684-T1635 WeakPolarHBondContact CE-O 3.14Å; M684-L1638 HydrophobicContact CE-CB 4.15Å; M684-L1638 HydrophobicContact SD-CB 4.13Å; M684-L1638 HydrophobicContact SD-CD2 3.99Å; M684-L1638 HydrophobicContact SD-CG 4.46Å; M684-Y1639 HydrophobicContact CE-CD1 3.72Å; M684-Y1639 HydrophobicContact CE-CD2 3.82Å; M684-Y1639 HydrophobicContact CE-CE1 3.38Å; M684-Y1639 HydrophobicContact CE-CE2 3.51Å; M684-Y1639 HydrophobicContact CE-CG 3.92Å; M684-Y1639 HydrophobicContact SD-CD1 3.82Å; M684-Y1639 HydrophobicContact SD-CE1 3.46Å; M684-Y1639 WeakPolarHBondContact SD-CE1 3.11Å
685N68.4Low73.8Confident27 Ų2744.5 Ų44.514%0.14420%0.204CC..Hα-helixtrans-103.39.4-175.7-78.6-32.2000115.7L681 I682 K687 W688 I689 F1329L681-N685 WeakPolarHBondContact O-CB 3.37Å; L681-N685 PolarHBondContact O-N 2.88Å; I682-N685 PolarHBondContact O-N 2.81Å; N685-K687 PolarHBondContact O-N 3.37Å; N685-W688 PolarHBondContact O-N 3.04Å; N685-I689 HydrophobicContact CB-CD1 3.95Å; N685-I689 HydrophobicContact CB-CG1 4.32Å; N685-F1329 PolarHBondContact ND2-O 3.01Å
686E66.5Low73.8Confident37 Ų3748.5 Ų48.517%0.17322%0.224CC..G310 helixtrans-33.3-43178.4-172.9-174.2-17100114.8I682 W688 R714I682-E686 WeakPolarHBondContact O-CA 3.44Å; I682-E686 PolarHBondContact O-N 2.96Å; E686-W688 PolarHBondContact O-N 3.46Å; E686-W688 VanDerWaalsContact O-N 3.13Å; E686-R714 IonicContact OE1-CZ 3.72Å; E686-R714 IonicContact OE1-NH1 3.73Å; E686-R714 PolarHBondContact OE1-NH1 3.11Å; E686-R714 IonicContact OE2-NH1 2.68Å
687K55.4Low73.9Confident113 Ų11349.7 Ų49.749%0.49123%0.233SC..G310 helixtrans-59.2-19.2178.8-57.2-179178.8-164.80116H459 N685H459-K687 WeakPolarHBondContact CD2-CE 3.49Å; H459-K687 PolarHBondContact CD2-NZ 2.84Å; H459-K687 PolarHBondContact NE2-NZ 3.19Å; H459-K687 VanDerWaalsContact NE2-NZ 3.19Å; N685-K687 PolarHBondContact O-N 3.37Å
688W59.7Low74.4Confident141 Ų14149.2 Ų49.253%0.53423%0.23SC..G310 helixtrans-121.8-0.6-169.1-50115.5000113.3N453 N685 E686N453-W688 HydrophobicContact CB-CH2 3.71Å; N453-W688 HydrophobicContact CB-CZ3 3.97Å; N453-W688 VanDerWaalsContact ND2-CH2 3.28Å; N453-W688 WeakPolarHBondContact ND2-CH2 3.44Å; N453-W688 VanDerWaalsContact ND2-CZ3 3.35Å; N453-W688 WeakPolarHBondContact ND2-CZ3 3.41Å; N685-W688 PolarHBondContact O-N 3.04Å; E686-W688 PolarHBondContact O-N 3.46Å; E686-W688 VanDerWaalsContact O-N 3.13Å
689I67.4Low74.7Confident13 Ų1351.3 Ų51.37%0.06724%0.239CC..  trans-103.3121.7-172.4-60172.5000108.5I682 N685 I693 I694 L736 F1329I682-I689 HydrophobicContact CB-CD1 4.2Å; I682-I689 HydrophobicContact CG1-CD1 4.08Å; I682-I689 HydrophobicContact CG2-CD1 4.19Å; N685-I689 HydrophobicContact CB-CD1 3.95Å; N685-I689 HydrophobicContact CB-CG1 4.32Å; I689-I693 HydrophobicContact CG2-CB 3.76Å; I689-I693 HydrophobicContact CG2-CG2 3.76Å; I689-I694 HydrophobicContact CG2-CD1 4.46Å; I689-I694 HydrophobicContact CG2-CG1 3.78Å; I689-L736 WeakPolarHBondContact O-CD1 3.35Å; I689-F1329 HydrophobicContact CD1-CE1 4.27Å
690K71.1Confident75.1Confident124 Ų12452 Ų5254%0.53924%0.244SC..  trans-62.6150.2175.9-64-171.4178.6-169.70111.8E692 I693 I694K690-E692 HydrophobicContact CB-CB 4.32Å; K690-E692 WeakPolarHBondContact CD-OE2 3.31Å; K690-E692 IonicContact NZ-OE1 2.91Å; K690-E692 IonicContact NZ-OE2 2.99Å; K690-E692 PolarHBondContact NZ-OE2 3.41Å; K690-E692 PolarHBondContact O-N 3.3Å; K690-I693 HydrophobicContact CB-CD1 4.4Å; K690-I693 HydrophobicContact CB-CG1 4.43Å; K690-I693 PolarHBondContact O-N 2.89Å; K690-I694 PolarHBondContact O-N 2.84Å
691E74.5Confident76Confident75 Ų7552 Ų5235%0.3524%0.243SC..Hα-helixtrans-51.1-41.2171.1-71.8-157.6-153.200112.4I693 I694 Y695 L736 K741E691-I693 VanDerWaalsContact C-N 3.28Å; E691-I693 PolarHBondContact O-N 3.31Å; E691-I694 CarbonylContact O-C 3.56Å; E691-I694 WeakPolarHBondContact O-CA 3.35Å; E691-I694 WeakPolarHBondContact O-CB 3.49Å; E691-I694 PolarHBondContact O-N 3.28Å; E691-Y695 HydrophobicContact CB-CD2 4.28Å; E691-Y695 HydrophobicContact CB-CE2 3.72Å; E691-Y695 WeakPolarHBondContact O-CD2 3.38Å; E691-Y695 PolarHBondContact O-N 3Å; E691-Y695 WeakPolarHBondContact OE2-CE2 3.36Å; E691-Y695 PolarHBondContact OE2-OH 3.21Å; E691-L736 HydrophobicContact CG-CB 4.12Å; E691-L736 HydrophobicContact CG-CD2 3.64Å; E691-L736 HydrophobicContact CG-CG 4.46Å; E691-K741 IonicContact OE1-NZ 3.88Å; E691-K741 IonicContact OE2-NZ 3.18Å; E691-K741 PolarHBondContact OE2-NZ 2.88Å; E691-K741 VanDerWaalsContact OE2-NZ 3.15Å
692E80.4Confident76.9Confident112 Ų11251.8 Ų51.852%0.52324%0.242SC..Hα-helixtrans-47.4-48.1174.4-63.6164.3-179.700112.7K690 Y695 I696K690-E692 HydrophobicContact CB-CB 4.32Å; K690-E692 WeakPolarHBondContact CD-OE2 3.31Å; K690-E692 IonicContact NZ-OE1 2.91Å; K690-E692 IonicContact NZ-OE2 2.99Å; K690-E692 PolarHBondContact NZ-OE2 3.41Å; K690-E692 PolarHBondContact O-N 3.3Å; E692-Y695 PolarHBondContact O-N 2.83Å; E692-I696 WeakPolarHBondContact O-CD1 3.49Å; E692-I696 VanDerWaalsContact O-CG1 3.28Å; E692-I696 WeakPolarHBondContact O-CG1 3.4Å; E692-I696 PolarHBondContact O-N 2.71Å
693I81.5Confident77.5Confident79 Ų7951.6 Ų51.641%0.40524%0.242SC..Hα-helixtrans-74-34.2-177.6-59.7170.7000110.1I689 K690 E691 T697I689-I693 HydrophobicContact CG2-CB 3.76Å; I689-I693 HydrophobicContact CG2-CG2 3.76Å; K690-I693 HydrophobicContact CB-CD1 4.4Å; K690-I693 HydrophobicContact CB-CG1 4.43Å; K690-I693 PolarHBondContact O-N 2.89Å; E691-I693 VanDerWaalsContact C-N 3.28Å; E691-I693 PolarHBondContact O-N 3.31Å; I693-T697 HydrophobicContact CG2-CG2 4.34Å; I693-T697 WeakPolarHBondContact O-CB 3.34Å; I693-T697 WeakPolarHBondContact O-CG2 3.24Å; I693-T697 PolarHBondContact O-N 3.19Å; I693-T697 PolarHBondContact O-OG1 3.34Å
694I81.2Confident78.3Confident6 Ų651.5 Ų51.53%0.03124%0.241CC..Hα-helixtrans-64.3-45.2173.8-60.7178.2000110.1I689 K690 E691 T697 S698 L707 L736 F737I689-I694 HydrophobicContact CG2-CD1 4.46Å; I689-I694 HydrophobicContact CG2-CG1 3.78Å; K690-I694 PolarHBondContact O-N 2.84Å; E691-I694 CarbonylContact O-C 3.56Å; E691-I694 WeakPolarHBondContact O-CA 3.35Å; E691-I694 WeakPolarHBondContact O-CB 3.49Å; E691-I694 PolarHBondContact O-N 3.28Å; I694-T697 PolarHBondContact O-N 3.25Å; I694-T697 PolarHBondContact O-OG1 3.44Å; I694-S698 WeakPolarHBondContact O-CB 3.38Å; I694-S698 PolarHBondContact O-N 3.22Å; I694-S698 PolarHBondContact O-OG 2.67Å; I694-L707 HydrophobicContact CG2-CD1 3.74Å; I694-L736 HydrophobicContact CD1-CB 3.79Å; I694-L736 HydrophobicContact CD1-CD1 3.62Å; I694-L736 HydrophobicContact CD1-CG 4.33Å; I694-F737 HydrophobicContact CG2-CB 4.36Å; I694-F737 HydrophobicContact CG2-CD2 3.57Å; I694-F737 HydrophobicContact CG2-CE2 3.94Å; I694-F737 HydrophobicContact CG2-CG 4.04Å
695Y85.2Confident79.5Confident68 Ų6850 Ų5027%0.26723%0.234SC..Hα-helixtrans-62.7-47.4176.7-63.9-54.3000112.1E691 E692 T697 S698 L699 F737 K741 M745E691-Y695 HydrophobicContact CB-CD2 4.28Å; E691-Y695 HydrophobicContact CB-CE2 3.72Å; E691-Y695 WeakPolarHBondContact O-CD2 3.38Å; E691-Y695 PolarHBondContact O-N 3Å; E691-Y695 WeakPolarHBondContact OE2-CE2 3.36Å; E691-Y695 PolarHBondContact OE2-OH 3.21Å; E692-Y695 PolarHBondContact O-N 2.83Å; Y695-T697 VanDerWaalsContact C-N 3.35Å; Y695-T697 PolarHBondContact O-N 3.04Å; Y695-S698 WeakPolarHBondContact CA-OG 3.28Å; Y695-S698 PolarHBondContact O-N 2.96Å; Y695-S698 VanDerWaalsContact O-N 3.13Å; Y695-S698 PolarHBondContact O-OG 3.5Å; Y695-L699 PolarHBondContact O-N 3.42Å; Y695-F737 HydrophobicContact CD1-CE2 4.01Å; Y695-F737 HydrophobicContact CE1-CD2 4.26Å; Y695-F737 AromaticContact CE1-CE2 3.96Å; Y695-F737 HydrophobicContact CE1-CE2 3.96Å; Y695-K741 HydrophobicContact CE1-CD 4.18Å; Y695-K741 VanDerWaalsContact OH-CE 3.29Å; Y695-K741 WeakPolarHBondContact OH-CE 3.23Å; Y695-K741 PolarHBondContact OH-NZ 3.2Å; Y695-M745 HydrophobicContact CD1-CE 3.55Å; Y695-M745 HydrophobicContact CE1-CE 4.5Å; Y695-M745 HydrophobicContact CG-CE 4.09Å
696I84.3Confident80.5Confident123 Ų12348.8 Ų48.863%0.63123%0.227SC*.Hα-helixtrans-61.6-41.4178.2-68.6165.4000111.5E692 S698E692-I696 WeakPolarHBondContact O-CD1 3.49Å; E692-I696 VanDerWaalsContact O-CG1 3.28Å; E692-I696 WeakPolarHBondContact O-CG1 3.4Å; E692-I696 PolarHBondContact O-N 2.71Å; I696-S698 VanDerWaalsContact C-N 3.35Å
697T82.2Confident81.4Confident35 Ų3547.7 Ų47.722%0.21522%0.222CC..Hα-helixtrans-75.2-23.1176.353.20000112.9I682 I693 I694 Y695 L699 S700 V703I682-T697 HydrophobicContact CD1-CG2 4.36Å; I682-T697 WeakPolarHBondContact CD1-OG1 3.23Å; I693-T697 HydrophobicContact CG2-CG2 4.34Å; I693-T697 WeakPolarHBondContact O-CB 3.34Å; I693-T697 WeakPolarHBondContact O-CG2 3.24Å; I693-T697 PolarHBondContact O-N 3.19Å; I693-T697 PolarHBondContact O-OG1 3.34Å; I694-T697 PolarHBondContact O-N 3.25Å; I694-T697 PolarHBondContact O-OG1 3.44Å; Y695-T697 VanDerWaalsContact C-N 3.35Å; Y695-T697 PolarHBondContact O-N 3.04Å; T697-L699 PolarHBondContact O-N 2.83Å; T697-S700 WeakPolarHBondContact O-CB 3.5Å; T697-S700 PolarHBondContact O-N 3.26Å; T697-S700 VanDerWaalsContact O-N 3.09Å; T697-V703 WeakPolarHBondContact O-CB 3.46Å
698S86.5Confident83Confident0 Ų042.3 Ų42.30%020%0.199CC..THydrogen-bonded Turntrans-76.3-0.317571.50000115.2I694 Y695 I696 S700I694-S698 WeakPolarHBondContact O-CB 3.38Å; I694-S698 PolarHBondContact O-N 3.22Å; I694-S698 PolarHBondContact O-OG 2.67Å; Y695-S698 WeakPolarHBondContact CA-OG 3.28Å; Y695-S698 PolarHBondContact O-N 2.96Å; Y695-S698 VanDerWaalsContact O-N 3.13Å; Y695-S698 PolarHBondContact O-OG 3.5Å; I696-S698 VanDerWaalsContact C-N 3.35Å; S698-S700 PolarHBondContact O-N 2.94Å
699L85.4Confident84.3Confident80 Ų8035.6 Ų35.642%0.41917%0.174SC..THydrogen-bonded Turntrans-71.2-3.2160.1-76.4156000112.7Y695 T697 I748 D749 L752 Y753Y695-L699 PolarHBondContact O-N 3.42Å; T697-L699 PolarHBondContact O-N 2.83Å; L699-I748 HydrophobicContact CD2-CG2 4.5Å; L699-D749 VanDerWaalsContact CA-OD1 3.29Å; L699-D749 WeakPolarHBondContact CA-OD1 3.16Å; L699-L752 HydrophobicContact CD2-CD1 4.08Å; L699-Y753 PolarHBondContact O-OH 2.9Å
700S87.8Confident85.2Confident17 Ų1735.3 Ų35.312%0.11917%0.172CC..SBendtrans-87.1116.5154.5159.40000108.7I675 T697 S698 Q702 V703 A704I675-S700 WeakPolarHBondContact CG2-OG 3.12Å; I675-S700 PolarHBondContact O-OG 3.39Å; T697-S700 WeakPolarHBondContact O-CB 3.5Å; T697-S700 PolarHBondContact O-N 3.26Å; T697-S700 VanDerWaalsContact O-N 3.09Å; S698-S700 PolarHBondContact O-N 2.94Å; S700-Q702 PolarHBondContact O-N 2.96Å; S700-Q702 VanDerWaalsContact O-N 3.15Å; S700-Q702 PolarHBondContact OG-N 3.37Å; S700-V703 WeakPolarHBondContact O-CA 3.42Å; S700-V703 WeakPolarHBondContact O-CB 3.34Å; S700-V703 PolarHBondContact O-N 2.9Å; S700-V703 WeakPolarHBondContact OG-CG2 3.16Å; S700-V703 PolarHBondContact OG-N 3.36Å; S700-V703 VanDerWaalsContact OG-N 3.15Å; S700-A704 PolarHBondContact O-N 2.95Å
701N90.5Very high85.8Confident1 Ų130 Ų301%0.00515%0.15CC..Hα-helixtrans-58.6-29.3177.162.8-12.9000113.5S646 F705 L746 D749 Y753S646-N701 VanDerWaalsContact OG-CB 3.22Å; S646-N701 WeakPolarHBondContact OG-CB 3.35Å; S646-N701 PolarHBondContact OG-ND2 2.94Å; N701-F705 WeakPolarHBondContact O-CB 3.38Å; N701-F705 PolarHBondContact O-N 3.29Å; N701-L746 HydrophobicContact CB-CD2 3.88Å; N701-L746 VanDerWaalsContact O-CD2 3.26Å; N701-L746 WeakPolarHBondContact O-CD2 3.29Å; N701-D749 WeakPolarHBondContact CA-OD2 3.44Å; N701-D749 HydrophobicContact CB-CB 4.39Å; N701-D749 WeakPolarHBondContact CB-OD2 3.3Å; N701-D749 PolarHBondContact N-OD2 3.49Å; N701-Y753 HydrophobicContact CB-CE2 4.4Å
702Q90.5Very high86.4Confident0 Ų026.4 Ų26.40%013%0.134CC..Hα-helixtrans-71.4-40.1174.5-58.2174.30.700111.7L563 Y643 Y672 I675 Y676 I679 S700 S706L563-Q702 HydrophobicContact CD1-CB 4.11Å; L563-Q702 HydrophobicContact CD2-CB 3.9Å; L563-Q702 HydrophobicContact CD2-CG 4.07Å; Y643-Q702 HydrophobicContact CE2-CG 4.44Å; Y672-Q702 VanDerWaalsContact CD1-NE2 3.32Å; Y672-Q702 PolarHBondContact O-NE2 3.4Å; Y672-Q702 PolarHBondContact O-OE1 2.96Å; Y672-Q702 VanDerWaalsContact O-OE1 3.06Å; I675-Q702 HydrophobicContact CG2-CB 4.28Å; I675-Q702 HydrophobicContact CG2-CG 3.98Å; Y676-Q702 VanDerWaalsContact CB-OE1 3.23Å; I679-Q702 HydrophobicContact CD1-CB 3.79Å; I679-Q702 WeakPolarHBondContact CD1-O 3.34Å; S700-Q702 PolarHBondContact O-N 2.96Å; S700-Q702 VanDerWaalsContact O-N 3.15Å; S700-Q702 PolarHBondContact OG-N 3.37Å; Q702-S706 VanDerWaalsContact O-CB 3.29Å; Q702-S706 WeakPolarHBondContact O-CB 3.34Å; Q702-S706 PolarHBondContact O-N 3.1Å; Q702-S706 PolarHBondContact O-OG 3.04Å; Q702-S706 VanDerWaalsContact O-OG 3.11Å
703V88.7Confident86.6Confident0 Ų021.1 Ų21.10%011%0.109CC..Hα-helixtrans-63-49.7173.71730000109.4P678 I679 I682 T697 S700 F705 S706 L707P678-V703 HydrophobicContact CB-CG2 4.03Å; P678-V703 HydrophobicContact CG-CG2 4.41Å; I679-V703 HydrophobicContact CD1-CG2 4.26Å; I679-V703 HydrophobicContact CG1-CB 4.34Å; I679-V703 HydrophobicContact CG1-CG2 3.61Å; I682-V703 HydrophobicContact CD1-CG1 3.89Å; T697-V703 WeakPolarHBondContact O-CB 3.46Å; S700-V703 WeakPolarHBondContact O-CA 3.42Å; S700-V703 WeakPolarHBondContact O-CB 3.34Å; S700-V703 PolarHBondContact O-N 2.9Å; S700-V703 WeakPolarHBondContact OG-CG2 3.16Å; S700-V703 PolarHBondContact OG-N 3.36Å; S700-V703 VanDerWaalsContact OG-N 3.15Å; V703-F705 PolarHBondContact O-N 3.39Å; V703-S706 PolarHBondContact O-N 3.44Å; V703-S706 PolarHBondContact O-OG 3.15Å; V703-L707 HydrophobicContact CG1-CD1 3.72Å; V703-L707 HydrophobicContact CG1-CG 4.33Å; V703-L707 WeakPolarHBondContact O-CG 3.22Å; V703-L707 PolarHBondContact O-N 3.08Å
704A90.7Very high86.5Confident0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-54.5-52176.500000112.3S700 L707 G708 S742 M745 L746S700-A704 PolarHBondContact O-N 2.95Å; A704-L707 PolarHBondContact O-N 3.27Å; A704-G708 PolarHBondContact O-N 2.89Å; A704-S742 WeakPolarHBondContact O-CB 3.49Å; A704-M745 HydrophobicContact CB-CB 4.17Å; A704-L746 HydrophobicContact CB-CD2 3.89Å; A704-L746 HydrophobicContact CB-CG 3.98Å
705F91.7Very high86.4Confident0 Ų018.5 Ų18.50%010%0.095CC..Hα-helixtrans-62.7-43.9178.2175.9-102.4000113.1L562 L563 L639 L640 Y643 N701 V703 L707 G708 L709 L746L562-F705 HydrophobicContact CD2-CE1 4.01Å; L562-F705 HydrophobicContact CD2-CZ 3.85Å; L563-F705 HydrophobicContact CD2-CD1 3.66Å; L563-F705 HydrophobicContact CD2-CE1 4.36Å; L563-F705 HydrophobicContact CG-CD1 4.04Å; L563-F705 HydrophobicContact CG-CE1 4.47Å; L639-F705 HydrophobicContact CD1-CD2 4.28Å; L639-F705 HydrophobicContact CD2-CD2 4.4Å; L639-F705 HydrophobicContact CD2-CE2 4.2Å; L639-F705 HydrophobicContact CG-CD2 3.94Å; L639-F705 HydrophobicContact CG-CE2 3.94Å; L640-F705 HydrophobicContact CD2-CE2 3.76Å; L640-F705 HydrophobicContact CD2-CZ 3.6Å; L640-F705 HydrophobicContact CG-CE2 4.09Å; L640-F705 HydrophobicContact CG-CZ 4.3Å; Y643-F705 VanDerWaalsContact CB-CD2 3.49Å; Y643-F705 HydrophobicContact CD1-CB 4.32Å; Y643-F705 AromaticContact CD1-CD1 3.92Å; Y643-F705 HydrophobicContact CD1-CD1 3.92Å; Y643-F705 AromaticContact CD1-CD2 3.92Å; Y643-F705 HydrophobicContact CD1-CD2 3.92Å; Y643-F705 HydrophobicContact CD1-CE1 4.21Å; Y643-F705 HydrophobicContact CD1-CE2 4.2Å; Y643-F705 AromaticContact CD1-CG 3.76Å; Y643-F705 HydrophobicContact CD1-CG 3.76Å; Y643-F705 HydrophobicContact CD1-CZ 4.34Å; Y643-F705 HydrophobicContact CD2-CB 3.49Å; Y643-F705 VanDerWaalsContact CD2-CB 3.49Å; Y643-F705 HydrophobicContact CD2-CD2 4.34Å; Y643-F705 AromaticContact CD2-CG 3.87Å; Y643-F705 HydrophobicContact CD2-CG 3.87Å; Y643-F705 HydrophobicContact CE1-CD1 4.09Å; Y643-F705 HydrophobicContact CE1-CE1 4.43Å; Y643-F705 HydrophobicContact CE1-CG 4.3Å; Y643-F705 HydrophobicContact CE2-CB 4Å; Y643-F705 HydrophobicContact CE2-CG 4.41Å; Y643-F705 HydrophobicContact CG-CB 3.71Å; Y643-F705 HydrophobicContact CG-CD1 4.17Å; Y643-F705 AromaticContact CG-CD2 3.65Å; Y643-F705 HydrophobicContact CG-CD2 3.65Å; Y643-F705 HydrophobicContact CG-CE2 4.33Å; Y643-F705 AromaticContact CG-CG 3.55Å; Y643-F705 HydrophobicContact CG-CG 3.55Å; N701-F705 WeakPolarHBondContact O-CB 3.38Å; N701-F705 PolarHBondContact O-N 3.29Å; V703-F705 PolarHBondContact O-N 3.39Å; F705-L707 VanDerWaalsContact C-N 3.35Å; F705-L707 PolarHBondContact O-N 2.8Å; F705-G708 PolarHBondContact O-N 2.9Å; F705-L709 HydrophobicContact CE1-CD2 4.42Å; F705-L709 HydrophobicContact CZ-CD2 4.29Å; F705-L709 PolarHBondContact O-N 3.39Å; F705-L746 HydrophobicContact CB-CD1 4.4Å; F705-L746 HydrophobicContact CB-CD2 4.39Å
706S88.3Confident86.3Confident0 Ų015.6 Ų15.60%08%0.083CC..Hα-helixtrans-63.2-40.4-178.965.90000112.6I679 Q702 V703 Y710I679-S706 WeakPolarHBondContact CG2-OG 3.07Å; Q702-S706 VanDerWaalsContact O-CB 3.29Å; Q702-S706 WeakPolarHBondContact O-CB 3.34Å; Q702-S706 PolarHBondContact O-N 3.1Å; Q702-S706 PolarHBondContact O-OG 3.04Å; Q702-S706 VanDerWaalsContact O-OG 3.11Å; V703-S706 PolarHBondContact O-N 3.44Å; V703-S706 PolarHBondContact O-OG 3.15Å; S706-Y710 WeakPolarHBondContact O-CB 3.44Å; S706-Y710 PolarHBondContact O-N 2.94Å
707L86.7Confident85.9Confident14 Ų1410 Ų107%0.0736%0.056CC..Hα-helixtrans-71.7-36176.7-64.3175.3000111.4I682 L683 I694 V703 A704 F705 Y710 S711 F737I682-L707 HydrophobicContact CG2-CD1 4.48Å; I682-L707 HydrophobicContact CG2-CD2 3.91Å; L683-L707 HydrophobicContact CD2-CD2 4.03Å; I694-L707 HydrophobicContact CG2-CD1 3.74Å; V703-L707 HydrophobicContact CG1-CD1 3.72Å; V703-L707 HydrophobicContact CG1-CG 4.33Å; V703-L707 WeakPolarHBondContact O-CG 3.22Å; V703-L707 PolarHBondContact O-N 3.08Å; A704-L707 PolarHBondContact O-N 3.27Å; F705-L707 VanDerWaalsContact C-N 3.35Å; F705-L707 PolarHBondContact O-N 2.8Å; L707-Y710 PolarHBondContact O-N 3.22Å; L707-S711 WeakPolarHBondContact O-CB 3.31Å; L707-S711 PolarHBondContact O-N 2.7Å; L707-F737 HydrophobicContact CB-CD1 3.56Å; L707-F737 HydrophobicContact CB-CE1 3.9Å; L707-F737 HydrophobicContact CB-CG 4.45Å; L707-F737 HydrophobicContact CD1-CD1 4.22Å; L707-F737 HydrophobicContact CD1-CE1 4.36Å
708G88.2Confident85.4Confident0 Ų08.8 Ų8.80%05%0.047CC..Hα-helixtrans-56.8-55.9169.700000112.2A704 F705 Y710 S711 L712 S742A704-G708 PolarHBondContact O-N 2.89Å; F705-G708 PolarHBondContact O-N 2.9Å; G708-Y710 VanDerWaalsContact C-N 3.35Å; G708-Y710 PolarHBondContact O-N 2.68Å; G708-S711 PolarHBondContact O-N 2.91Å; G708-S711 PolarHBondContact O-OG 2.95Å; G708-L712 PolarHBondContact O-N 3.02Å; G708-S742 VanDerWaalsContact CA-OG 3.23Å; G708-S742 WeakPolarHBondContact CA-OG 3.33Å
709L88.4Confident84.6Confident1 Ų111.2 Ų11.21%0.0056%0.06CC..Hα-helixtrans-66-36.7179.8-161.675000112L558 P559 F628 L639 F705 L712 L713L558-L709 HydrophobicContact CG-CD2 4.47Å; P559-L709 HydrophobicContact CB-CB 4.37Å; P559-L709 HydrophobicContact CB-CD2 4.3Å; P559-L709 HydrophobicContact CG-CB 4.34Å; P559-L709 HydrophobicContact CG-CD2 4.29Å; F628-L709 HydrophobicContact CE2-CD1 4.41Å; F628-L709 HydrophobicContact CZ-CD1 3.87Å; F628-L709 HydrophobicContact CZ-CG 4.39Å; L639-L709 HydrophobicContact CD2-CB 4.37Å; L639-L709 HydrophobicContact CD2-CD1 4.23Å; F705-L709 HydrophobicContact CE1-CD2 4.42Å; F705-L709 HydrophobicContact CZ-CD2 4.29Å; F705-L709 PolarHBondContact O-N 3.39Å; L709-L712 PolarHBondContact O-N 2.84Å; L709-L713 HydrophobicContact CD2-CD1 4.4Å; L709-L713 HydrophobicContact CG-CD1 4.14Å; L709-L713 WeakPolarHBondContact O-CB 3.24Å; L709-L713 VanDerWaalsContact O-CG 3.3Å; L709-L713 WeakPolarHBondContact O-CG 3.36Å; L709-L713 PolarHBondContact O-N 3.04Å
710Y86Confident83.9Confident7 Ų79 Ų93%0.0275%0.049CC..Hα-helixtrans-61.5-41.9173.5-179.4-116.9000112.2K555 K556 L683 S706 L707 G708 L712 L713 R714K555-Y710 HydrophobicContact CG-CE2 4.49Å; K555-Y710 WeakPolarHBondContact O-CD2 3.35Å; K556-Y710 HydrophobicContact CG-CE2 3.9Å; L683-Y710 HydrophobicContact CD2-CD1 3.52Å; L683-Y710 HydrophobicContact CD2-CD2 3.95Å; L683-Y710 HydrophobicContact CD2-CE1 4.03Å; L683-Y710 HydrophobicContact CD2-CE2 4.43Å; L683-Y710 HydrophobicContact CD2-CG 3.48Å; L683-Y710 VanDerWaalsContact CD2-CG 3.48Å; S706-Y710 WeakPolarHBondContact O-CB 3.44Å; S706-Y710 PolarHBondContact O-N 2.94Å; L707-Y710 PolarHBondContact O-N 3.22Å; G708-Y710 VanDerWaalsContact C-N 3.35Å; G708-Y710 PolarHBondContact O-N 2.68Å; Y710-L712 PolarHBondContact O-N 3.5Å; Y710-L713 PolarHBondContact O-N 2.74Å; Y710-R714 WeakPolarHBondContact O-CB 3.49Å; Y710-R714 PolarHBondContact O-N 3.17Å
711S83.9Confident83.1Confident12 Ų1210.9 Ų10.98%0.0846%0.058CC..Hα-helixtrans-62.7-42.2178.2750000111.9L707 G708 R714 L715 P739L707-S711 WeakPolarHBondContact O-CB 3.31Å; L707-S711 PolarHBondContact O-N 2.7Å; G708-S711 PolarHBondContact O-N 2.91Å; G708-S711 PolarHBondContact O-OG 2.95Å; S711-R714 PolarHBondContact O-N 3.26Å; S711-L715 WeakPolarHBondContact O-CG 3.37Å; S711-L715 PolarHBondContact O-N 3.07Å; S711-L715 VanDerWaalsContact O-N 3.13Å; S711-P739 WeakPolarHBondContact OG-CD 3.43Å
712L86.2Confident82.2Confident0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-63.4-49.2173.9-65.2174.9000111.3F628 I635 L639 G708 L709 Y710 R714 L715 E716 T722 P739F628-L712 HydrophobicContact CE1-CB 3.84Å; I635-L712 HydrophobicContact CG2-CD1 4.38Å; I635-L712 HydrophobicContact CG2-CD2 4.19Å; L639-L712 HydrophobicContact CD2-CD1 3.85Å; G708-L712 PolarHBondContact O-N 3.02Å; L709-L712 PolarHBondContact O-N 2.84Å; Y710-L712 PolarHBondContact O-N 3.5Å; L712-R714 VanDerWaalsContact C-N 3.26Å; L712-R714 PolarHBondContact O-N 3.28Å; L712-L715 PolarHBondContact O-N 3.12Å; L712-E716 VanDerWaalsContact O-CB 3.29Å; L712-E716 WeakPolarHBondContact O-CB 3.38Å; L712-E716 PolarHBondContact O-N 2.88Å; L712-T722 HydrophobicContact CD2-CG2 4.06Å; L712-P739 HydrophobicContact CD2-CB 4.07Å; L712-P739 HydrophobicContact CD2-CG 4.13Å; L712-P739 HydrophobicContact CG-CB 4.33Å
713L85.5Confident81.6Confident1 Ų117.5 Ų17.51%0.0058%0.084CC..Hα-helixtrans-63.2-29.4178.4-70.1164.5000113.1L551 K555 L558 P559 F628 L709 Y710 S717L551-L713 HydrophobicContact CD2-CB 4.38Å; L551-L713 HydrophobicContact CD2-CD2 3.91Å; K555-L713 HydrophobicContact CB-CB 3.89Å; L558-L713 HydrophobicContact CB-CD1 4.01Å; L558-L713 HydrophobicContact CD2-CD1 3.84Å; L558-L713 HydrophobicContact CD2-CD2 3.87Å; L558-L713 HydrophobicContact CG-CD1 4.04Å; P559-L713 HydrophobicContact CG-CD1 3.97Å; F628-L713 HydrophobicContact CD1-CD2 4.4Å; F628-L713 HydrophobicContact CE1-CD2 3.59Å; F628-L713 HydrophobicContact CE1-CG 3.83Å; F628-L713 HydrophobicContact CE2-CD2 4.02Å; F628-L713 HydrophobicContact CZ-CD1 4.45Å; F628-L713 HydrophobicContact CZ-CD2 3.38Å; F628-L713 HydrophobicContact CZ-CG 3.64Å; L709-L713 HydrophobicContact CD2-CD1 4.4Å; L709-L713 HydrophobicContact CG-CD1 4.14Å; L709-L713 WeakPolarHBondContact O-CB 3.24Å; L709-L713 VanDerWaalsContact O-CG 3.3Å; L709-L713 WeakPolarHBondContact O-CG 3.36Å; L709-L713 PolarHBondContact O-N 3.04Å; Y710-L713 PolarHBondContact O-N 2.74Å; L713-S717 VanDerWaalsContact O-CB 3.28Å; L713-S717 WeakPolarHBondContact O-CB 3.29Å; L713-S717 PolarHBondContact O-N 3.22Å; L713-S717 PolarHBondContact O-OG 3.01Å
714R79Confident81.2Confident12 Ų1223.1 Ų23.15%0.04511%0.106CC..Hα-helixtrans-68.4-49.2174-177.1175.1178.8176.90111H459 E686 Y710 S711 L712 S717 Q718H459-R714 PolarHBondContact O-NH2 3.18Å; E686-R714 IonicContact OE1-CZ 3.72Å; E686-R714 IonicContact OE1-NH1 3.73Å; E686-R714 PolarHBondContact OE1-NH1 3.11Å; E686-R714 IonicContact OE2-NH1 2.68Å; Y710-R714 WeakPolarHBondContact O-CB 3.49Å; Y710-R714 PolarHBondContact O-N 3.17Å; S711-R714 PolarHBondContact O-N 3.26Å; L712-R714 VanDerWaalsContact C-N 3.26Å; L712-R714 PolarHBondContact O-N 3.28Å; R714-S717 PolarHBondContact O-N 3.02Å; R714-S717 PolarHBondContact O-OG 2.91Å; R714-Q718 VanDerWaalsContact O-CG 3.32Å; R714-Q718 WeakPolarHBondContact O-CG 3.44Å; R714-Q718 PolarHBondContact O-N 2.9Å; R714-Q718 PolarHBondContact O-OE1 3.04Å
715L78.7Confident80.6Confident17 Ų1730.5 Ų30.59%0.08915%0.145CC..Hα-helixtrans-63.6-43.3177.4-67.9167.1000111.6S711 L712 S717 Q718 N719 L720 T722 K731 L732S711-L715 WeakPolarHBondContact O-CG 3.37Å; S711-L715 PolarHBondContact O-N 3.07Å; S711-L715 VanDerWaalsContact O-N 3.13Å; L712-L715 PolarHBondContact O-N 3.12Å; L715-S717 PolarHBondContact O-N 2.89Å; L715-Q718 CarbonylContact O-C 3.57Å; L715-Q718 WeakPolarHBondContact O-CA 3.47Å; L715-Q718 WeakPolarHBondContact O-CB 3.34Å; L715-Q718 PolarHBondContact O-N 3.25Å; L715-N719 PolarHBondContact O-N 2.81Å; L715-L720 HydrophobicContact CB-CB 4.46Å; L715-L720 HydrophobicContact CD2-CB 4.21Å; L715-L720 HydrophobicContact CD2-CD1 4.24Å; L715-L720 PolarHBondContact O-N 3.08Å; L715-T722 HydrophobicContact CB-CG2 4.36Å; L715-T722 HydrophobicContact CD1-CG2 3.61Å; L715-K731 HydrophobicContact CD2-CB 4.43Å; L715-L732 HydrophobicContact CD2-CD1 3.6Å
716E82.2Confident79.7Confident7 Ų733.4 Ų33.43%0.03316%0.161CC..Hα-helixtrans-57.7-46.7173.4-167.671.5-144.100111.2L551 F628 I629 I630 S631 L712 Q718 N719L551-E716 HydrophobicContact CD1-CB 4.39Å; L551-E716 HydrophobicContact CD1-CG 3.66Å; F628-E716 HydrophobicContact CD1-CB 4.42Å; F628-E716 HydrophobicContact CD1-CG 4.2Å; I629-E716 WeakPolarHBondContact CA-OE1 3.27Å; I629-E716 PolarHBondContact N-OE1 3.27Å; I630-E716 PolarHBondContact N-OE1 2.84Å; S631-E716 WeakPolarHBondContact CB-OE2 2.86Å; S631-E716 PolarHBondContact N-OE2 2.82Å; S631-E716 PolarHBondContact OG-OE2 2.88Å; L712-E716 VanDerWaalsContact O-CB 3.29Å; L712-E716 WeakPolarHBondContact O-CB 3.38Å; L712-E716 PolarHBondContact O-N 2.88Å; E716-Q718 PolarHBondContact O-N 3.19Å; E716-N719 PolarHBondContact O-N 2.85Å
717S76Confident79.2Confident7 Ų733.9 Ų33.95%0.04916%0.163CC..THydrogen-bonded Turntrans-64.8-7.9175.775.90000115.2K555 L713 R714 L715K555-S717 PolarHBondContact NZ-OG 3.46Å; L713-S717 VanDerWaalsContact O-CB 3.28Å; L713-S717 WeakPolarHBondContact O-CB 3.29Å; L713-S717 PolarHBondContact O-N 3.22Å; L713-S717 PolarHBondContact O-OG 3.01Å; R714-S717 PolarHBondContact O-N 3.02Å; R714-S717 PolarHBondContact O-OG 2.91Å; L715-S717 PolarHBondContact O-N 2.89Å
718Q71.7Confident78.8Confident8 Ų840 Ų404%0.03719%0.185CC..THydrogen-bonded Turntrans-108.8-2.1178.4-68.3173.3-38.800112.3W461 R714 L715 E716 L720W461-Q718 HydrophobicContact CE3-CB 4.22Å; W461-Q718 HydrophobicContact CE3-CG 4.17Å; W461-Q718 HydrophobicContact CZ3-CB 4.25Å; W461-Q718 WeakPolarHBondContact O-CG 3.39Å; W461-Q718 PolarHBondContact O-NE2 3.08Å; R714-Q718 VanDerWaalsContact O-CG 3.32Å; R714-Q718 WeakPolarHBondContact O-CG 3.44Å; R714-Q718 PolarHBondContact O-N 2.9Å; R714-Q718 PolarHBondContact O-OE1 3.04Å; L715-Q718 CarbonylContact O-C 3.57Å; L715-Q718 WeakPolarHBondContact O-CA 3.47Å; L715-Q718 WeakPolarHBondContact O-CB 3.34Å; L715-Q718 PolarHBondContact O-N 3.25Å; E716-Q718 PolarHBondContact O-N 3.19Å; Q718-L720 HydrophobicContact CB-CD1 4Å; Q718-L720 HydrophobicContact CB-CG 4.2Å
719N71Confident77.9Confident52 Ų5247.4 Ų47.428%0.27822%0.22SC..THydrogen-bonded Turntrans57.348.2-169.6-50.9-85.4000112.9K546 I630 L715 E716K546-N719 WeakPolarHBondContact CB-OD1 3.49Å; K546-N719 PolarHBondContact O-ND2 3.25Å; I630-N719 HydrophobicContact CD1-CB 3.9Å; L715-N719 PolarHBondContact O-N 2.81Å; E716-N719 PolarHBondContact O-N 2.85Å
720L70.4Confident76.7Confident34 Ų3450 Ų5018%0.17824%0.237CC..  trans-117.6117178.4-70.2171.7000111.9L715 Q718 L732L715-L720 HydrophobicContact CB-CB 4.46Å; L715-L720 HydrophobicContact CD2-CB 4.21Å; L715-L720 HydrophobicContact CD2-CD1 4.24Å; L715-L720 PolarHBondContact O-N 3.08Å; Q718-L720 HydrophobicContact CB-CD1 4Å; Q718-L720 HydrophobicContact CB-CG 4.2Å; L720-L732 HydrophobicContact CD1-CD1 3.66Å
721D71.6Confident75.4Confident56 Ų5654.3 Ų54.330%0.29926%0.256SS..  trans-61.5143.9-175.8-62.138.6000114.2I630 Y723 K731I630-D721 HydrophobicContact CG2-CB 4.15Å; I630-D721 WeakPolarHBondContact CG2-OD1 3.15Å; D721-Y723 HydrophobicContact CB-CD2 4.01Å; D721-Y723 HydrophobicContact CB-CE2 3.55Å; D721-Y723 WeakPolarHBondContact OD2-CE2 3.3Å; D721-Y723 PolarHBondContact OD2-OH 2.79Å; D721-K731 PolarHBondContact O-NZ 2.89Å
722T70.3Confident74.3Confident11 Ų1154.2 Ų54.27%0.06726%0.255CS..  trans-120.3104.2173.252.20000111.6S631 S632 I635 L712 L715S631-T722 WeakPolarHBondContact CA-OG1 3.43Å; S631-T722 VanDerWaalsContact CB-OG1 3.24Å; S631-T722 WeakPolarHBondContact CB-OG1 3.25Å; S631-T722 PolarHBondContact OG-OG1 3.15Å; S631-T722 VanDerWaalsContact OG-OG1 3.13Å; S632-T722 PolarHBondContact OG-O 2.92Å; I635-T722 WeakPolarHBondContact CD1-O 3.36Å; L712-T722 HydrophobicContact CD2-CG2 4.06Å; L715-T722 HydrophobicContact CB-CG2 4.36Å; L715-T722 HydrophobicContact CD1-CG2 3.61Å
723Y79.3Confident72.6Confident128 Ų12856.8 Ų56.850%0.50227%0.273SS..  trans-111.9162.1171.3-62.8-76.3000110.5D721 N725 D726D721-Y723 HydrophobicContact CB-CD2 4.01Å; D721-Y723 HydrophobicContact CB-CE2 3.55Å; D721-Y723 WeakPolarHBondContact OD2-CE2 3.3Å; D721-Y723 PolarHBondContact OD2-OH 2.79Å; Y723-N725 PolarHBondContact O-N 3.31Å; Y723-D726 PolarHBondContact O-N 2.76Å; Y723-D726 VanDerWaalsContact O-N 3.09Å
724W79.1Confident71.1Confident119 Ų11958.8 Ų58.845%0.45128%0.284SS..G310 helixtrans-56-34.8-175.6-74.499.4000114.2F634 I635 F638 D726 L727F634-W724 HydrophobicContact CB-CZ2 4.1Å; I635-W724 HydrophobicContact CG1-CD2 4.29Å; I635-W724 HydrophobicContact CG1-CZ2 4.32Å; F638-W724 HydrophobicContact CB-CH2 4.12Å; F638-W724 HydrophobicContact CD2-CH2 4.29Å; F638-W724 HydrophobicContact CG-CH2 4.06Å; W724-D726 PolarHBondContact O-N 3.09Å; W724-L727 HydrophobicContact CE3-CD2 4.14Å; W724-L727 HydrophobicContact CZ3-CD2 4.17Å; W724-L727 WeakPolarHBondContact O-CB 3.18Å; W724-L727 PolarHBondContact O-N 2.92Å
725N77.7Confident70Confident154 Ų15459 Ų5982%0.82429%0.287SS*.G310 helixtrans-61.8-32.7-180-59.14.1000112.3Y723Y723-N725 PolarHBondContact O-N 3.31Å
726D73.6Confident69.2Low61 Ų6160.4 Ų60.433%0.32629%0.294SS..G310 helixtrans-93.4-6-175.1-56.6-49.7000113.3Y723 W724 W728 Q729 K731Y723-D726 PolarHBondContact O-N 2.76Å; Y723-D726 VanDerWaalsContact O-N 3.09Å; W724-D726 PolarHBondContact O-N 3.09Å; D726-W728 PolarHBondContact O-N 3.03Å; D726-Q729 PolarHBondContact O-N 2.86Å; D726-Q729 VanDerWaalsContact O-N 3.14Å; D726-Q729 VanDerWaalsContact O-O 3.12Å; D726-K731 WeakPolarHBondContact OD2-CE 3.27Å; D726-K731 IonicContact OD2-NZ 2.75Å; D726-K731 PolarHBondContact OD2-NZ 2.99Å
727L77.3Confident68.9Low11 Ų1160.7 Ų60.76%0.05830%0.295CS..THydrogen-bonded Turntrans-53.9-33.3-166.7-169.978.5000114I635 W724 P739 G740 I743I635-L727 HydrophobicContact CD1-CD1 4Å; I635-L727 HydrophobicContact CG1-CD1 4.3Å; I635-L727 HydrophobicContact CG2-CD1 3.85Å; W724-L727 HydrophobicContact CE3-CD2 4.14Å; W724-L727 HydrophobicContact CZ3-CD2 4.17Å; W724-L727 WeakPolarHBondContact O-CB 3.18Å; W724-L727 PolarHBondContact O-N 2.92Å; L727-P739 HydrophobicContact CD1-CB 4.28Å; L727-P739 HydrophobicContact CD1-CG 4.2Å; L727-G740 WeakPolarHBondContact O-CA 3.45Å; L727-G740 PolarHBondContact O-N 3.03Å; L727-I743 HydrophobicContact CD1-CD1 4.45Å; L727-I743 HydrophobicContact CD2-CD1 4.36Å
728W79.6Confident69.1Low141 Ų14160.4 Ų60.453%0.53429%0.293SS..THydrogen-bonded Turntrans-92.3-25.4-174.4-60.1100.6000113.9D726 S738 G740 L744D726-W728 PolarHBondContact O-N 3.03Å; W728-S738 PolarHBondContact O-OG 2.66Å; W728-G740 WeakPolarHBondContact CZ3-O 3.34Å; W728-L744 HydrophobicContact CH2-CB 4.1Å; W728-L744 HydrophobicContact CH2-CD1 4.02Å; W728-L744 HydrophobicContact CZ3-CB 3.98Å; W728-L744 HydrophobicContact CZ3-CD1 3.91Å
729Q68.8Low69.7Low156 Ų15660.6 Ų60.673%0.72930%0.295SS*.SBendtrans-99.4125.1-176.2-65.2-165.4800111.2D726 K731D726-Q729 PolarHBondContact O-N 2.86Å; D726-Q729 VanDerWaalsContact O-N 3.14Å; D726-Q729 VanDerWaalsContact O-O 3.12Å; Q729-K731 PolarHBondContact O-N 3.08Å; Q729-K731 VanDerWaalsContact O-N 3.14Å
730P62.2Low70.5Confident57 Ų5758.1 Ų58.137%0.3728%0.282SS..  trans-70.2110.4176.228.4-32.9000110.6L732 S735P730-L732 PolarHBondContact O-N 3.35Å; P730-L732 VanDerWaalsContact O-N 3.08Å; P730-S735 WeakPolarHBondContact CB-O 3.48Å; P730-S735 VanDerWaalsContact CB-OG 3.26Å; P730-S735 WeakPolarHBondContact CB-OG 3.42Å
731K60.1Low71.4Confident96 Ų9658.8 Ų58.842%0.41728%0.283SS..SBendtrans-60.3-14.7175.9-74.2-170.6178176.40114.4L715 D721 D726 Q729L715-K731 HydrophobicContact CD2-CB 4.43Å; D721-K731 PolarHBondContact O-NZ 2.89Å; D726-K731 WeakPolarHBondContact OD2-CE 3.27Å; D726-K731 IonicContact OD2-NZ 2.75Å; D726-K731 PolarHBondContact OD2-NZ 2.99Å; Q729-K731 PolarHBondContact O-N 3.08Å; Q729-K731 VanDerWaalsContact O-N 3.14Å
732L59Low72.2Confident10 Ų1056.1 Ų56.15%0.05227%0.269CS..SBendtrans-119.5133.8169.4-72.185.6000109.4W461 L715 L720 P730 D734 S735W461-L732 HydrophobicContact CB-CD2 4.32Å; L715-L732 HydrophobicContact CD2-CD1 3.6Å; L720-L732 HydrophobicContact CD1-CD1 3.66Å; P730-L732 PolarHBondContact O-N 3.35Å; P730-L732 VanDerWaalsContact O-N 3.08Å; L732-D734 VanDerWaalsContact C-N 3.29Å; L732-D734 PolarHBondContact O-N 3.4Å; L732-S735 PolarHBondContact O-N 3Å; L732-S735 VanDerWaalsContact O-N 3.16Å; L732-S735 PolarHBondContact O-OG 3.26Å
733S51.1Low73.2Confident55 Ų5556.1 Ų56.139%0.38527%0.269SS..THydrogen-bonded Turntrans-55.5-39.4179.949.10000113.8S735 D1347S733-S735 VanDerWaalsContact C-N 3.29Å; S733-S735 PolarHBondContact O-N 3.45Å; S733-D1347 WeakPolarHBondContact CB-OD2 3.46Å; S733-D1347 PolarHBondContact OG-OD2 3.09Å
734D53.5Low73.8Confident43 Ų4353.9 Ų53.923%0.2327%0.265CS..THydrogen-bonded Turntrans-73.2-10.8-177.9-42.512.6000114.9H459 L732 L736 K1501H459-D734 WeakPolarHBondContact CA-OD2 3.34Å; L732-D734 VanDerWaalsContact C-N 3.29Å; L732-D734 PolarHBondContact O-N 3.4Å; D734-L736 PolarHBondContact O-N 3.24Å; D734-L736 VanDerWaalsContact O-N 3.09Å; D734-K1501 IonicContact OD1-NZ 2.69Å; D734-K1501 PolarHBondContact OD1-NZ 2.73Å; D734-K1501 IonicContact OD2-NZ 2.77Å; D734-K1501 PolarHBondContact OD2-NZ 2.69Å
735S57.8Low74.4Confident17 Ų1749.6 Ų49.612%0.11925%0.25CS..  trans-84.287.2-179.655.70000110.9P730 L732 S733 F737P730-S735 WeakPolarHBondContact CB-O 3.48Å; P730-S735 VanDerWaalsContact CB-OG 3.26Å; P730-S735 WeakPolarHBondContact CB-OG 3.42Å; L732-S735 PolarHBondContact O-N 3Å; L732-S735 VanDerWaalsContact O-N 3.16Å; L732-S735 PolarHBondContact O-OG 3.26Å; S733-S735 VanDerWaalsContact C-N 3.29Å; S733-S735 PolarHBondContact O-N 3.45Å; S735-F737 PolarHBondContact O-N 2.91Å; S735-F737 VanDerWaalsContact O-N 3.1Å
736L61.9Low75.2Confident46 Ų4642.2 Ų42.224%0.24121%0.211CC..SBendtrans-47.2-35.4175.6-61.5165.2000113I689 E691 I694 D734 K741I689-L736 WeakPolarHBondContact O-CD1 3.35Å; E691-L736 HydrophobicContact CG-CB 4.12Å; E691-L736 HydrophobicContact CG-CD2 3.64Å; E691-L736 HydrophobicContact CG-CG 4.46Å; I694-L736 HydrophobicContact CD1-CB 3.79Å; I694-L736 HydrophobicContact CD1-CD1 3.62Å; I694-L736 HydrophobicContact CD1-CG 4.33Å; D734-L736 PolarHBondContact O-N 3.24Å; D734-L736 VanDerWaalsContact O-N 3.09Å; L736-K741 PolarHBondContact O-NZ 3.04Å
737F74Confident76.2Confident13 Ų1344.6 Ų44.66%0.05722%0.215CC..SBendtrans-121.7123.1-176.5-147-115.4000111.5I694 Y695 L707 S735 K741 S742 M745I694-F737 HydrophobicContact CG2-CB 4.36Å; I694-F737 HydrophobicContact CG2-CD2 3.57Å; I694-F737 HydrophobicContact CG2-CE2 3.94Å; I694-F737 HydrophobicContact CG2-CG 4.04Å; Y695-F737 HydrophobicContact CD1-CE2 4.01Å; Y695-F737 HydrophobicContact CE1-CD2 4.26Å; Y695-F737 AromaticContact CE1-CE2 3.96Å; Y695-F737 HydrophobicContact CE1-CE2 3.96Å; L707-F737 HydrophobicContact CB-CD1 3.56Å; L707-F737 HydrophobicContact CB-CE1 3.9Å; L707-F737 HydrophobicContact CB-CG 4.45Å; L707-F737 HydrophobicContact CD1-CD1 4.22Å; L707-F737 HydrophobicContact CD1-CE1 4.36Å; S735-F737 PolarHBondContact O-N 2.91Å; S735-F737 VanDerWaalsContact O-N 3.1Å; F737-K741 HydrophobicContact CD2-CB 4.28Å; F737-K741 HydrophobicContact CD2-CD 4.32Å; F737-K741 HydrophobicContact CE2-CB 4.12Å; F737-K741 HydrophobicContact CZ-CB 4.4Å; F737-S742 VanDerWaalsContact CE1-CB 3.45Å; F737-M745 HydrophobicContact CZ-CG 4.39Å
738S82.1Confident77Confident1 Ų147.5 Ų47.51%0.00723%0.23CC..  trans-100.5157.2177.360.40000111.1W728 G740 K741 S742W728-S738 PolarHBondContact O-OG 2.66Å; S738-G740 VanDerWaalsContact C-N 3.27Å; S738-G740 PolarHBondContact O-N 3.32Å; S738-K741 PolarHBondContact O-N 3.07Å; S738-K741 WeakPolarHBondContact OG-CG 3.47Å; S738-S742 PolarHBondContact O-N 2.93Å; S738-S742 VanDerWaalsContact O-N 3.11Å
739P84Confident77.7Confident12 Ų1240.8 Ų40.88%0.07821%0.205CC..Hα-helixtrans-60.6-34.8179.922.6-32.3000112.6S711 L712 L727 S742 I743S711-P739 WeakPolarHBondContact OG-CD 3.43Å; L712-P739 HydrophobicContact CD2-CB 4.07Å; L712-P739 HydrophobicContact CD2-CG 4.13Å; L712-P739 HydrophobicContact CG-CB 4.33Å; L727-P739 HydrophobicContact CD1-CB 4.28Å; L727-P739 HydrophobicContact CD1-CG 4.2Å; P739-S742 WeakPolarHBondContact O-CB 3.41Å; P739-S742 PolarHBondContact O-N 3.24Å; P739-S742 PolarHBondContact O-OG 3.45Å; P739-I743 WeakPolarHBondContact O-CG1 3.45Å; P739-I743 PolarHBondContact O-N 3.24Å
740G87.9Confident78.9Confident0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-61.1-46.9173.900000113.4L727 W728 S738 S742 I743 L744L727-G740 WeakPolarHBondContact O-CA 3.45Å; L727-G740 PolarHBondContact O-N 3.03Å; W728-G740 WeakPolarHBondContact CZ3-O 3.34Å; S738-G740 VanDerWaalsContact C-N 3.27Å; S738-G740 PolarHBondContact O-N 3.32Å; G740-S742 PolarHBondContact O-N 3.17Å; G740-I743 PolarHBondContact O-N 3.09Å; G740-L744 PolarHBondContact O-N 3.04Å
741K87.6Confident80.4Confident47 Ų4735.9 Ų35.920%0.20418%0.18CC..Hα-helixtrans-56.3-40.2172.5-71.4174.9-177.1-172.50111.3E691 Y695 L736 F737 S738 L744 M745E691-K741 IonicContact OE1-NZ 3.88Å; E691-K741 IonicContact OE2-NZ 3.18Å; E691-K741 PolarHBondContact OE2-NZ 2.88Å; E691-K741 VanDerWaalsContact OE2-NZ 3.15Å; Y695-K741 HydrophobicContact CE1-CD 4.18Å; Y695-K741 VanDerWaalsContact OH-CE 3.29Å; Y695-K741 WeakPolarHBondContact OH-CE 3.23Å; Y695-K741 PolarHBondContact OH-NZ 3.2Å; L736-K741 PolarHBondContact O-NZ 3.04Å; F737-K741 HydrophobicContact CD2-CB 4.28Å; F737-K741 HydrophobicContact CD2-CD 4.32Å; F737-K741 HydrophobicContact CE2-CB 4.12Å; F737-K741 HydrophobicContact CZ-CB 4.4Å; S738-K741 PolarHBondContact O-N 3.07Å; S738-K741 WeakPolarHBondContact OG-CG 3.47Å; K741-L744 PolarHBondContact O-N 3.44Å; K741-M745 PolarHBondContact O-N 2.88Å
742S89.5Confident81.9Confident0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-65.5-41.4179.480.20000113.3A704 G708 F737 S738 P739 G740 M745 L746A704-S742 WeakPolarHBondContact O-CB 3.49Å; G708-S742 VanDerWaalsContact CA-OG 3.23Å; G708-S742 WeakPolarHBondContact CA-OG 3.33Å; F737-S742 VanDerWaalsContact CE1-CB 3.45Å; S738-S742 PolarHBondContact O-N 2.93Å; S738-S742 VanDerWaalsContact O-N 3.11Å; P739-S742 WeakPolarHBondContact O-CB 3.41Å; P739-S742 PolarHBondContact O-N 3.24Å; P739-S742 PolarHBondContact O-OG 3.45Å; G740-S742 PolarHBondContact O-N 3.17Å; S742-M745 PolarHBondContact O-N 3.17Å; S742-L746 WeakPolarHBondContact O-CG 3.3Å; S742-L746 PolarHBondContact O-N 3.29Å; S742-L746 VanDerWaalsContact O-N 3.16Å
743I91.4Very high83.6Confident12 Ų1235 Ų356%0.06218%0.178CC..Hα-helixtrans-65.5-46176.1-67.4163.3000109.4F638 L639 L727 P739 G740 M745 L746 W747F638-I743 HydrophobicContact CD1-CD1 4.33Å; F638-I743 HydrophobicContact CD1-CG2 4.01Å; F638-I743 HydrophobicContact CE1-CG2 3.9Å; L639-I743 HydrophobicContact CD1-CG1 3.84Å; L727-I743 HydrophobicContact CD1-CD1 4.45Å; L727-I743 HydrophobicContact CD2-CD1 4.36Å; P739-I743 WeakPolarHBondContact O-CG1 3.45Å; P739-I743 PolarHBondContact O-N 3.24Å; G740-I743 PolarHBondContact O-N 3.09Å; I743-M745 VanDerWaalsContact C-N 3.31Å; I743-M745 PolarHBondContact O-N 3.23Å; I743-L746 WeakPolarHBondContact O-CB 3.43Å; I743-L746 PolarHBondContact O-N 3.14Å; I743-L746 VanDerWaalsContact O-N 3.15Å; I743-W747 VanDerWaalsContact O-CD1 3.29Å; I743-W747 PolarHBondContact O-N 3.47Å; I743-W747 VanDerWaalsContact O-N 3.12Å
744L91.9Very high85.5Confident81 Ų8135.4 Ų35.442%0.42418%0.176SC..Hα-helixtrans-57.7-41.1178.2-179.8140.4000112.6W728 G740 K741 W747 I748W728-L744 HydrophobicContact CH2-CB 4.1Å; W728-L744 HydrophobicContact CH2-CD1 4.02Å; W728-L744 HydrophobicContact CZ3-CB 3.98Å; W728-L744 HydrophobicContact CZ3-CD1 3.91Å; G740-L744 PolarHBondContact O-N 3.04Å; K741-L744 PolarHBondContact O-N 3.44Å; L744-W747 PolarHBondContact O-N 3.13Å; L744-I748 HydrophobicContact CD2-CD1 3.63Å; L744-I748 HydrophobicContact CG-CD1 4.41Å; L744-I748 WeakPolarHBondContact O-CG1 3.38Å; L744-I748 PolarHBondContact O-N 3.19Å
745M92.1Very high87.2Confident28 Ų2836.4 Ų36.414%0.13819%0.186CC..Hα-helixtrans-67.4-39175.5-72.7-60.3-162.400113.2Y695 A704 F737 K741 S742 I743 W747 I748 D749Y695-M745 HydrophobicContact CD1-CE 3.55Å; Y695-M745 HydrophobicContact CE1-CE 4.5Å; Y695-M745 HydrophobicContact CG-CE 4.09Å; A704-M745 HydrophobicContact CB-CB 4.17Å; F737-M745 HydrophobicContact CZ-CG 4.39Å; K741-M745 PolarHBondContact O-N 2.88Å; S742-M745 PolarHBondContact O-N 3.17Å; I743-M745 VanDerWaalsContact C-N 3.31Å; I743-M745 PolarHBondContact O-N 3.23Å; M745-W747 PolarHBondContact O-N 2.86Å; M745-I748 PolarHBondContact O-N 3.07Å; M745-I748 VanDerWaalsContact O-N 3.09Å; M745-I748 HydrophobicContact SD-CD1 3.92Å; M745-D749 PolarHBondContact O-N 3.43Å
746L93.6Very high88.7Confident0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-60.6-32.2174-70.1169.6000113.1L639 Y643 N701 A704 F705 S742 I743 S750L639-L746 HydrophobicContact CD1-CD1 4.07Å; Y643-L746 HydrophobicContact CD2-CD2 3.98Å; N701-L746 HydrophobicContact CB-CD2 3.88Å; N701-L746 VanDerWaalsContact O-CD2 3.26Å; N701-L746 WeakPolarHBondContact O-CD2 3.29Å; A704-L746 HydrophobicContact CB-CD2 3.89Å; A704-L746 HydrophobicContact CB-CG 3.98Å; F705-L746 HydrophobicContact CB-CD1 4.4Å; F705-L746 HydrophobicContact CB-CD2 4.39Å; S742-L746 WeakPolarHBondContact O-CG 3.3Å; S742-L746 PolarHBondContact O-N 3.29Å; S742-L746 VanDerWaalsContact O-N 3.16Å; I743-L746 WeakPolarHBondContact O-CB 3.43Å; I743-L746 PolarHBondContact O-N 3.14Å; I743-L746 VanDerWaalsContact O-N 3.15Å; L746-S750 PolarHBondContact O-N 3.09Å; L746-S750 VanDerWaalsContact O-N 3.16Å; L746-S750 PolarHBondContact O-OG 3.22Å
747W94.6Very high89.9Confident110 Ų11037.7 Ų37.742%0.41719%0.19SC..Hα-helixtrans-75.9-35.2173.5-80.282.2000112.6S642 I645 I743 L744 M745 S750 I751S642-W747 PolarHBondContact OG-NE1 2.68Å; I645-W747 HydrophobicContact CD1-CZ2 4.29Å; I743-W747 VanDerWaalsContact O-CD1 3.29Å; I743-W747 PolarHBondContact O-N 3.47Å; I743-W747 VanDerWaalsContact O-N 3.12Å; L744-W747 PolarHBondContact O-N 3.13Å; M745-W747 PolarHBondContact O-N 2.86Å; W747-S750 WeakPolarHBondContact CA-OG 3.47Å; W747-S750 PolarHBondContact O-OG 3.16Å; W747-S750 VanDerWaalsContact O-OG 3.13Å; W747-I751 WeakPolarHBondContact O-CD1 3.35Å; W747-I751 VanDerWaalsContact O-CG1 3.26Å; W747-I751 WeakPolarHBondContact O-CG1 3.22Å; W747-I751 PolarHBondContact O-N 2.84Å; W747-I751 VanDerWaalsContact O-N 3.17Å
748I94.3Very high90.4Very high73 Ų7341.1 Ų41.137%0.37421%0.208SC..Hα-helixtrans-64-47171.1-70.9169.9000110.9L699 L744 M745 S750 I751 L752L699-I748 HydrophobicContact CD2-CG2 4.5Å; L744-I748 HydrophobicContact CD2-CD1 3.63Å; L744-I748 HydrophobicContact CG-CD1 4.41Å; L744-I748 WeakPolarHBondContact O-CG1 3.38Å; L744-I748 PolarHBondContact O-N 3.19Å; M745-I748 PolarHBondContact O-N 3.07Å; M745-I748 VanDerWaalsContact O-N 3.09Å; M745-I748 HydrophobicContact SD-CD1 3.92Å; I748-S750 PolarHBondContact O-N 3.38Å; I748-I751 PolarHBondContact O-N 3.48Å; I748-L752 WeakPolarHBondContact O-CB 3.2Å; I748-L752 PolarHBondContact O-N 3.47Å
749D93.7Very high90.4Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-58.7-47.5178.3-79.2-11.2000112.2L699 N701 M745 I751 L752 Y753L699-D749 VanDerWaalsContact CA-OD1 3.29Å; L699-D749 WeakPolarHBondContact CA-OD1 3.16Å; N701-D749 WeakPolarHBondContact CA-OD2 3.44Å; N701-D749 HydrophobicContact CB-CB 4.39Å; N701-D749 WeakPolarHBondContact CB-OD2 3.3Å; N701-D749 PolarHBondContact N-OD2 3.49Å; M745-D749 PolarHBondContact O-N 3.43Å; D749-I751 VanDerWaalsContact C-N 3.34Å; D749-I751 PolarHBondContact O-N 3.1Å; D749-L752 PolarHBondContact O-N 2.71Å; D749-Y753 HydrophobicContact CB-CE2 3.96Å; D749-Y753 WeakPolarHBondContact O-CB 3.47Å; D749-Y753 WeakPolarHBondContact O-CD1 3.4Å; D749-Y753 WeakPolarHBondContact O-CD2 3.38Å; D749-Y753 PolarHBondContact O-N 3.37Å
750S94Very high90.3Very high7 Ų746.7 Ų46.75%0.04924%0.236CC..Hα-helixtrans-64.5-36.5179.545.40000112.7L746 W747 I748 L754L746-S750 PolarHBondContact O-N 3.09Å; L746-S750 VanDerWaalsContact O-N 3.16Å; L746-S750 PolarHBondContact O-OG 3.22Å; W747-S750 WeakPolarHBondContact CA-OG 3.47Å; W747-S750 PolarHBondContact O-OG 3.16Å; W747-S750 VanDerWaalsContact O-OG 3.13Å; I748-S750 PolarHBondContact O-N 3.38Å; S750-L754 VanDerWaalsContact O-CB 3.25Å; S750-L754 WeakPolarHBondContact O-CB 3.34Å; S750-L754 PolarHBondContact O-N 3.5Å; S750-L754 VanDerWaalsContact O-N 3.14Å
751I94Very high89.8Confident102 Ų10247.7 Ų47.752%0.52324%0.241SC..Hα-helixtrans-66.4-46.6171.6-68166.6000110.7W747 I748 D749 L754 C755W747-I751 WeakPolarHBondContact O-CD1 3.35Å; W747-I751 VanDerWaalsContact O-CG1 3.26Å; W747-I751 WeakPolarHBondContact O-CG1 3.22Å; W747-I751 PolarHBondContact O-N 2.84Å; W747-I751 VanDerWaalsContact O-N 3.17Å; I748-I751 PolarHBondContact O-N 3.48Å; D749-I751 VanDerWaalsContact C-N 3.34Å; D749-I751 PolarHBondContact O-N 3.1Å; I751-L754 PolarHBondContact O-N 3.29Å; I751-C755 WeakPolarHBondContact O-CB 3.34Å; I751-C755 PolarHBondContact O-N 3.48Å; I751-C755 PolarHBondContact O-SG 3.17Å
752L92.3Very high89.1Confident70 Ų7052 Ų5237%0.36626%0.256SS..Hα-helixtrans-64-46.9-177.3-167.6158.9000111.5L699 I748 D749 L754 C755 M756L699-L752 HydrophobicContact CD2-CD1 4.08Å; I748-L752 WeakPolarHBondContact O-CB 3.2Å; I748-L752 PolarHBondContact O-N 3.47Å; D749-L752 PolarHBondContact O-N 2.71Å; L752-L754 VanDerWaalsContact C-N 3.32Å; L752-L754 PolarHBondContact O-N 3.36Å; L752-C755 PolarHBondContact O-N 3.12Å; L752-M756 HydrophobicContact CD2-CG 4.05Å; L752-M756 WeakPolarHBondContact O-CB 3.44Å; L752-M756 WeakPolarHBondContact O-CG 3.33Å; L752-M756 PolarHBondContact O-N 3.06Å
753Y93.7Very high88.2Confident19 Ų1956.9 Ų56.98%0.07528%0.281CS..Hα-helixtrans-63.8-36.7176.6-57.5-16.9000111.5F650 L653 L699 N701 D749 T757F650-Y753 HydrophobicContact CB-CD2 3.71Å; F650-Y753 HydrophobicContact CB-CE2 3.83Å; F650-Y753 HydrophobicContact CD2-CE2 4.34Å; L653-Y753 HydrophobicContact CD2-CD1 4.36Å; L699-Y753 PolarHBondContact O-OH 2.9Å; N701-Y753 HydrophobicContact CB-CE2 4.4Å; D749-Y753 HydrophobicContact CB-CE2 3.96Å; D749-Y753 WeakPolarHBondContact O-CB 3.47Å; D749-Y753 WeakPolarHBondContact O-CD1 3.4Å; D749-Y753 WeakPolarHBondContact O-CD2 3.38Å; D749-Y753 PolarHBondContact O-N 3.37Å; Y753-T757 VanDerWaalsContact O-CB 3.24Å; Y753-T757 WeakPolarHBondContact O-CB 3.39Å; Y753-T757 PolarHBondContact O-N 3.12Å; Y753-T757 PolarHBondContact O-OG1 3.22Å
754L90.6Very high87.1Confident62 Ų6259.4 Ų59.433%0.32529%0.294SS..Hα-helixtrans-66.6-44.7173.9178.865.4000112.2M649 S750 I751 L752 T757 L758M649-L754 HydrophobicContact CE-CD1 4.46Å; M649-L754 HydrophobicContact CE-CD2 4.48Å; M649-L754 HydrophobicContact SD-CB 4.2Å; M649-L754 HydrophobicContact SD-CD1 4.01Å; S750-L754 VanDerWaalsContact O-CB 3.25Å; S750-L754 WeakPolarHBondContact O-CB 3.34Å; S750-L754 PolarHBondContact O-N 3.5Å; S750-L754 VanDerWaalsContact O-N 3.14Å; I751-L754 PolarHBondContact O-N 3.29Å; L752-L754 VanDerWaalsContact C-N 3.32Å; L752-L754 PolarHBondContact O-N 3.36Å; L754-T757 WeakPolarHBondContact O-CB 3.48Å; L754-T757 PolarHBondContact O-N 2.65Å; L754-L758 HydrophobicContact CD1-CD1 4.37Å; L754-L758 HydrophobicContact CG-CD1 4.34Å; L754-L758 WeakPolarHBondContact O-CG 3.33Å; L754-L758 PolarHBondContact O-N 3.23Å
755C89.8Confident85.5Confident65 Ų6557.3 Ų57.344%0.43929%0.286SS..Hα-helixtrans-62.1-46.2176.7-71.50000111.5I751 L752 T757 L758 L759I751-C755 WeakPolarHBondContact O-CB 3.34Å; I751-C755 PolarHBondContact O-N 3.48Å; I751-C755 PolarHBondContact O-SG 3.17Å; L752-C755 PolarHBondContact O-N 3.12Å; C755-T757 PolarHBondContact O-N 3.33Å; C755-L758 PolarHBondContact O-N 2.84Å; C755-L759 WeakPolarHBondContact O-CB 3.24Å; C755-L759 VanDerWaalsContact O-CG 3.29Å; C755-L759 WeakPolarHBondContact O-CG 3.22Å; C755-L759 PolarHBondContact O-N 3.01Å
756M88.8Confident83.6Confident90 Ų9062 Ų6244%0.44331%0.305SS..Hα-helixtrans-60.8-42.6174-75.3-68-152.700112.1L653 L752 L758 L759 I760L653-M756 HydrophobicContact CD1-CB 3.49Å; L653-M756 VanDerWaalsContact CD1-CB 3.49Å; L752-M756 HydrophobicContact CD2-CG 4.05Å; L752-M756 WeakPolarHBondContact O-CB 3.44Å; L752-M756 WeakPolarHBondContact O-CG 3.33Å; L752-M756 PolarHBondContact O-N 3.06Å; M756-L758 PolarHBondContact O-N 3.22Å; M756-L759 PolarHBondContact O-N 2.92Å; M756-I760 HydrophobicContact CB-CD1 4.25Å; M756-I760 WeakPolarHBondContact O-CB 3.5Å; M756-I760 WeakPolarHBondContact O-CD1 3.5Å; M756-I760 WeakPolarHBondContact O-CG1 3.38Å; M756-I760 PolarHBondContact O-N 3.44Å
757T86.9Confident81.5Confident0 Ų070.4 Ų70.40%034%0.342CS..Hα-helixtrans-53.7-50.8174.5-67.60000111.1W600 F652 L653 I656 Y753 L754 C755 E761W600-T757 HydrophobicContact CD2-CG2 4.48Å; W600-T757 HydrophobicContact CH2-CG2 4.37Å; W600-T757 HydrophobicContact CZ2-CG2 4.2Å; F652-T757 HydrophobicContact CB-CG2 3.89Å; L653-T757 WeakPolarHBondContact CA-OG1 3.41Å; L653-T757 PolarHBondContact N-OG1 3.08Å; I656-T757 HydrophobicContact CD1-CG2 3.4Å; I656-T757 VanDerWaalsContact CD1-CG2 3.4Å; I656-T757 WeakPolarHBondContact CD1-O 3.45Å; Y753-T757 VanDerWaalsContact O-CB 3.24Å; Y753-T757 WeakPolarHBondContact O-CB 3.39Å; Y753-T757 PolarHBondContact O-N 3.12Å; Y753-T757 PolarHBondContact O-OG1 3.22Å; L754-T757 WeakPolarHBondContact O-CB 3.48Å; L754-T757 PolarHBondContact O-N 2.65Å; C755-T757 PolarHBondContact O-N 3.33Å; T757-E761 WeakPolarHBondContact O-CB 3.49Å; T757-E761 PolarHBondContact O-N 2.82Å; T757-E761 VanDerWaalsContact O-N 3.09Å
758L84.4Confident79.2Confident84 Ų8470.9 Ų70.944%0.4435%0.345SS..Hα-helixtrans-68.4-39.5-179.2-65.5170.7000112.7L754 C755 M756 W762L754-L758 HydrophobicContact CD1-CD1 4.37Å; L754-L758 HydrophobicContact CG-CD1 4.34Å; L754-L758 WeakPolarHBondContact O-CG 3.33Å; L754-L758 PolarHBondContact O-N 3.23Å; C755-L758 PolarHBondContact O-N 2.84Å; M756-L758 PolarHBondContact O-N 3.22Å; L758-W762 WeakPolarHBondContact O-CB 3.27Å; L758-W762 PolarHBondContact O-N 3.43Å; L758-W762 VanDerWaalsContact O-N 3.13Å
759L83.8Confident77Confident99 Ų9970.5 Ų70.552%0.51834%0.344SS..Hα-helixtrans-66.3-45.8178-73.7168000112.5C755 M756 W762 I763C755-L759 WeakPolarHBondContact O-CB 3.24Å; C755-L759 VanDerWaalsContact O-CG 3.29Å; C755-L759 WeakPolarHBondContact O-CG 3.22Å; C755-L759 PolarHBondContact O-N 3.01Å; M756-L759 PolarHBondContact O-N 2.92Å; L759-W762 WeakPolarHBondContact O-CB 3.4Å; L759-W762 PolarHBondContact O-N 3.29Å; L759-I763 WeakPolarHBondContact O-CG1 3.43Å; L759-I763 PolarHBondContact O-N 3.19Å
760I81.5Confident74.9Confident31 Ų3171.1 Ų71.116%0.15935%0.347CS..Hα-helixtrans-71.7-38.8-177.4-59.8160.7000110.5L653 I656 F657 M756 W762 I763 I764L653-I760 HydrophobicContact CD1-CD1 3.91Å; I656-I760 HydrophobicContact CG2-CB 4.17Å; I656-I760 HydrophobicContact CG2-CG2 3.59Å; F657-I760 HydrophobicContact CE1-CG2 4.31Å; F657-I760 HydrophobicContact CE2-CD1 4.25Å; F657-I760 HydrophobicContact CZ-CD1 3.75Å; F657-I760 HydrophobicContact CZ-CG2 4.44Å; M756-I760 HydrophobicContact CB-CD1 4.25Å; M756-I760 WeakPolarHBondContact O-CB 3.5Å; M756-I760 WeakPolarHBondContact O-CD1 3.5Å; M756-I760 WeakPolarHBondContact O-CG1 3.38Å; M756-I760 PolarHBondContact O-N 3.44Å; I760-W762 VanDerWaalsContact C-N 3.3Å; I760-W762 PolarHBondContact O-N 3.47Å; I760-I763 PolarHBondContact O-N 3.26Å; I760-I764 HydrophobicContact CG2-CD1 3.92Å; I760-I764 HydrophobicContact CG2-CG1 4.42Å; I760-I764 WeakPolarHBondContact O-CG1 3.47Å; I760-I764 PolarHBondContact O-N 2.88Å
761E77.5Confident72.7Confident22 Ų2276.7 Ų76.710%0.10337%0.367CS..Hα-helixtrans-64.5-34.8174-168.2173.8-119.900111.7K586 N596 W600 I656 T757 S765K586-E761 IonicContact NZ-OE1 3.43Å; K586-E761 PolarHBondContact NZ-OE1 3.39Å; K586-E761 IonicContact NZ-OE2 3.42Å; N596-E761 PolarHBondContact ND2-OE2 3.01Å; W600-E761 WeakPolarHBondContact CZ2-OE1 3.38Å; W600-E761 PolarHBondContact NE1-OE2 3.13Å; I656-E761 HydrophobicContact CD1-CB 4.09Å; T757-E761 WeakPolarHBondContact O-CB 3.49Å; T757-E761 PolarHBondContact O-N 2.82Å; T757-E761 VanDerWaalsContact O-N 3.09Å; E761-S765 VanDerWaalsContact O-CB 3.26Å; E761-S765 WeakPolarHBondContact O-CB 3.33Å; E761-S765 PolarHBondContact O-N 2.55Å; E761-S765 PolarHBondContact O-OG 3.41Å
762W71.7Confident70.3Confident138 Ų13875.6 Ų75.652%0.52336%0.36SS..Hα-helixtrans-64.5-42172.3178.574.9000112.7L758 L759 I760 S765 K766L758-W762 WeakPolarHBondContact O-CB 3.27Å; L758-W762 PolarHBondContact O-N 3.43Å; L758-W762 VanDerWaalsContact O-N 3.13Å; L759-W762 WeakPolarHBondContact O-CB 3.4Å; L759-W762 PolarHBondContact O-N 3.29Å; I760-W762 VanDerWaalsContact C-N 3.3Å; I760-W762 PolarHBondContact O-N 3.47Å; W762-S765 PolarHBondContact O-N 3.03Å; W762-K766 VanDerWaalsContact CH2-NZ 3.28Å
763I72.1Confident68Low102 Ų10275.6 Ų75.652%0.52337%0.366SS..Hα-helixtrans-63.5-47.3175.9-67.8164.7000110.8L759 I760 S765 K766L759-I763 WeakPolarHBondContact O-CG1 3.43Å; L759-I763 PolarHBondContact O-N 3.19Å; I760-I763 PolarHBondContact O-N 3.26Å; I763-S765 VanDerWaalsContact C-N 3.33Å; I763-S765 PolarHBondContact O-N 2.8Å; I763-K766 WeakPolarHBondContact O-CB 3.41Å; I763-K766 PolarHBondContact O-N 3.19Å
764I66.8Low65.5Low64 Ų6482.2 Ų82.233%0.32840%0.395SS..Hα-helixtrans-67.1-34.8-179.8-67.4174.7000111.4I656 I760 K766 K767 Y768I656-I764 HydrophobicContact CG2-CD1 3.68Å; I760-I764 HydrophobicContact CG2-CD1 3.92Å; I760-I764 HydrophobicContact CG2-CG1 4.42Å; I760-I764 WeakPolarHBondContact O-CG1 3.47Å; I760-I764 PolarHBondContact O-N 2.88Å; I764-K766 PolarHBondContact O-N 3.19Å; I764-K766 VanDerWaalsContact O-N 3.12Å; I764-K767 PolarHBondContact O-N 2.83Å; I764-Y768 HydrophobicContact CG2-CD2 4.31Å
765S59.6Low63.2Low38 Ų3887.1 Ų87.127%0.26641%0.411SS..THydrogen-bonded Turntrans-63.6-14175.4-61.30000114E761 W762 I763 Y768E761-S765 VanDerWaalsContact O-CB 3.26Å; E761-S765 WeakPolarHBondContact O-CB 3.33Å; E761-S765 PolarHBondContact O-N 2.55Å; E761-S765 PolarHBondContact O-OG 3.41Å; W762-S765 PolarHBondContact O-N 3.03Å; I763-S765 VanDerWaalsContact C-N 3.33Å; I763-S765 PolarHBondContact O-N 2.8Å; S765-Y768 CarbonylContact O-C 3.51Å
766K52.8Low60.9Low125 Ų12587.1 Ų87.154%0.54341%0.411SS..THydrogen-bonded Turntrans-76.5-20.2170.3-71.3-179.2174.5176.70113.8W762 I763 I764 N769W762-K766 VanDerWaalsContact CH2-NZ 3.28Å; I763-K766 WeakPolarHBondContact O-CB 3.41Å; I763-K766 PolarHBondContact O-N 3.19Å; I764-K766 PolarHBondContact O-N 3.19Å; I764-K766 VanDerWaalsContact O-N 3.12Å; K766-N769 PolarHBondContact O-ND2 2.96Å
767K47.7Very low58.5Low177 Ų17791.9 Ų91.977%0.7742%0.424SS*.THydrogen-bonded Turntrans-79.9-43.6170.9-83.9-175.9171179.30111.3I764I764-K767 PolarHBondContact O-N 2.83Å
768Y47.9Very low56.4Low120 Ų12097.8 Ų97.847%0.47146%0.455SS..SBendtrans-10186.6-179.9-60.6-82.4000109.5Q659 I764 S765 I770Q659-Y768 PolarHBondContact NE2-OH 3.38Å; I764-Y768 HydrophobicContact CG2-CD2 4.31Å; S765-Y768 CarbonylContact O-C 3.51Å; Y768-I770 PolarHBondContact O-N 3.21Å
769N48.4Very low53.9Low66 Ų66102.8 Ų102.835%0.35347%0.473SS..  trans-68.951.5-163.3-83.5-70.9000116.4K766 Y771K766-N769 PolarHBondContact O-ND2 2.96Å; N769-Y771 HydrophobicContact CB-CE2 4.46Å; N769-Y771 PolarHBondContact O-N 3.36Å
770I48.1Very low51.6Low12 Ų12103.2 Ų103.26%0.06248%0.483CS..  trans-82.992.6169.9-50.9177.4000108.7E587 K590 Y768 Q772E587-I770 HydrophobicContact CB-CD1 4.22Å; E587-I770 HydrophobicContact CG-CD1 4.13Å; K590-I770 HydrophobicContact CD-CB 4.43Å; K590-I770 HydrophobicContact CD-CD1 4.48Å; K590-I770 HydrophobicContact CD-CG2 3.85Å; K590-I770 HydrophobicContact CG-CG2 4.21Å; K590-I770 PolarHBondContact NZ-O 3.03Å; Y768-I770 PolarHBondContact O-N 3.21Å; I770-Q772 PolarHBondContact O-N 3.29Å
771Y47.4Very low49.2Very low124 Ų124110 Ų11049%0.48651%0.514SS..  trans-61.7115.7-171-98.4-111.4000113.8N769 K876N769-Y771 HydrophobicContact CB-CE2 4.46Å; N769-Y771 PolarHBondContact O-N 3.36Å; Y771-K876 HydrophobicContact CE2-CD 4.16Å
772Q45.5Very low46.9Very low80 Ų80116.1 Ų116.137%0.37455%0.547SS..  trans-156.9110.7151.2-107.8179.8600107.2I770 N894I770-Q772 PolarHBondContact O-N 3.29Å; Q772-N894 PolarHBondContact NE2-OD1 3.27Å
773S42.4Very low45Very low69 Ų69121.7 Ų121.748%0.48357%0.568SS.*  trans-85.912717496.20000109.3Y775 S776S773-Y775 PolarHBondContact O-N 3.38Å; S773-S776 PolarHBondContact O-OG 2.75Å; S773-S776 WeakPolarHBondContact OG-CB 3.16Å; S773-S776 PolarHBondContact OG-N 2.65Å; S773-S776 PolarHBondContact OG-OG 3.45Å
774F41.4Very low42.9Very low158 Ų158126 Ų12669%0.69358%0.583SS**THydrogen-bonded Turntrans-68.3-25179.1-161.5-99.4000112.5T597T597-F774 HydrophobicContact CG2-CE2 4.05Å
775Y41.8Very low41.2Very low166 Ų166130.5 Ų130.565%0.65161%0.606SS**THydrogen-bonded Turntrans-94.6-10.8-170.7-97.8-88.7000116.1S773 R777 I778S773-Y775 PolarHBondContact O-N 3.38Å; Y775-R777 PolarHBondContact O-N 2.97Å; Y775-R777 VanDerWaalsContact O-N 3.16Å; Y775-I778 HydrophobicContact CD1-CB 4.35Å; Y775-I778 HydrophobicContact CD1-CD1 3.84Å; Y775-I778 HydrophobicContact CE1-CD1 3.73Å; Y775-I778 PolarHBondContact O-N 3Å
776S41.8Very low39.6Very low64 Ų64136.7 Ų136.745%0.44863%0.629SS.*G310 helixtrans-61.6-26.1-179.954.80000113.3S773 I778 K779 C780S773-S776 PolarHBondContact O-OG 2.75Å; S773-S776 WeakPolarHBondContact OG-CB 3.16Å; S773-S776 PolarHBondContact OG-N 2.65Å; S773-S776 PolarHBondContact OG-OG 3.45Å; S776-I778 VanDerWaalsContact C-N 3.25Å; S776-I778 PolarHBondContact O-N 2.8Å; S776-K779 PolarHBondContact O-N 3.43Å; S776-C780 PolarHBondContact O-SG 3.16Å; S776-C780 VanDerWaalsContact O-SG 3.36Å
777R39.6Very low38.3Very low191 Ų191137.3 Ų137.372%0.72164%0.638SS**G310 helixtrans-65.4-22.4173.6-75-171.2179.9171.53.8114.6Y775Y775-R777 PolarHBondContact O-N 2.97Å; Y775-R777 VanDerWaalsContact O-N 3.16Å
778I42Very low37.3Very low124 Ų124137.4 Ų137.464%0.63664%0.638SS**G310 helixtrans-89.9-13.8-176.9-64.8172000111.4Y775 S776Y775-I778 HydrophobicContact CD1-CB 4.35Å; Y775-I778 HydrophobicContact CD1-CD1 3.84Å; Y775-I778 HydrophobicContact CE1-CD1 3.73Å; Y775-I778 PolarHBondContact O-N 3Å; S776-I778 VanDerWaalsContact C-N 3.25Å; S776-I778 PolarHBondContact O-N 2.8Å
779K32.3Very low36.2Very low188 Ų188138.8 Ų138.882%0.81765%0.649SS**SBendtrans-11521.8-174.8-124.5-174.5-177.7-169.60115.3S776S776-K779 PolarHBondContact O-N 3.43Å
780C35.3Very low35.1Very low108 Ų108143.8 Ų143.873%0.7367%0.668SS**  trans-113.751.1178.1-67.50000113.2S776S776-C780 PolarHBondContact O-SG 3.16Å; S776-C780 VanDerWaalsContact O-SG 3.36Å
781Q30.6Very low34.1Very low175 Ų175150.9 Ų150.982%0.81871%0.706SS**SBendtrans-108.8133.1148.4-78.9-175.6-23.600107.3
782N29.3Very low33Very low150 Ų150151.8 Ų151.880%0.80271%0.714SS**  trans58.399.9-176.7-54.3-28.4000113.4
783W31.6Very low32.2Very low254 Ų254153.1 Ų153.196%0.96273%0.73SS**  -145.6153.780.8-94.43.5000114.7
784K28.2Very low31.5Very low193 Ų193158 Ų15884%0.83975%0.749SS**  trans-81.3137.1168.7-57.5171.3-177.9174.40108.8
785I30.8Very low30.8Very low158 Ų158156.9 Ų156.981%0.8175%0.75SS**  -148116.7124.9-95.2143.4000105.5
786F26.6Very low30.1Very low169 Ų169153 Ų15374%0.74175%0.747SS**  trans-79.2124.3161.4-97.7-108.1000106.5K788F786-K788 HydrophobicContact CD1-CG 4.14Å; F786-K788 HydrophobicContact CE1-CG 4.43Å
787N26.1Very low29.3Very low138 Ų138156.5 Ų156.574%0.73876%0.759SS**  trans-126.6101140-104.20.6000107.1H789N787-H789 VanDerWaalsContact C-N 3.31Å; N787-H789 PolarHBondContact O-N 3.32Å; N787-H789 VanDerWaalsContact O-N 3.1Å
788K25.4Very low28.7Very low178 Ų178155.8 Ų155.877%0.77476%0.761SS**  trans-7193.4160.9-81.6176.8171.7-177.50106.6F786F786-K788 HydrophobicContact CD1-CG 4.14Å; F786-K788 HydrophobicContact CE1-CG 4.43Å
789H26.1Very low28Very low149 Ų149157.2 Ų157.269%0.6977%0.77SS**  trans-68.4135.3145-80.5-86.1000107.1N787N787-H789 VanDerWaalsContact C-N 3.31Å; N787-H789 PolarHBondContact O-N 3.32Å; N787-H789 VanDerWaalsContact O-N 3.1Å
790K24.2Very low27.7Very low172 Ų172154 Ų15475%0.74877%0.766SS**  trans-74.8125.3160.1-66.1174.9178.5177.20105.4E792K790-E792 VanDerWaalsContact C-N 3.29Å; K790-E792 PolarHBondContact O-N 3.48Å; K790-E792 VanDerWaalsContact O-N 3.08Å
791D27.9Very low27.3Very low161 Ų161155.6 Ų155.686%0.86177%0.766SS**  trans-7790.3164.4-59.6-46000107
792E24.6Very low27.4Very low142 Ų142155.2 Ų155.266%0.66476%0.758SS**  trans-71.7141161-72.9171.7179.400107.9K790 I794K790-E792 VanDerWaalsContact C-N 3.29Å; K790-E792 PolarHBondContact O-N 3.48Å; K790-E792 VanDerWaalsContact O-N 3.08Å; E792-I794 PolarHBondContact O-N 3.39Å
793P27.4Very low27.3Very low109 Ų109157 Ų15771%0.70876%0.758SS**  trans-61.7132.6173.428.1-33.6000108.7D795P793-D795 PolarHBondContact O-N 3.24Å
794I29.4Very low27.2Very low172 Ų172152 Ų15288%0.88275%0.746SS**  trans-76.594.2179.2-60.2176.2000108.2E792E792-I794 PolarHBondContact O-N 3.39Å
795D26Very low27.3Very low133 Ų133150.9 Ų150.971%0.71175%0.749SS**  trans-63.4146.3168.1-81.6-36.9000111.3P793 I797P793-D795 PolarHBondContact O-N 3.24Å; D795-I797 PolarHBondContact O-N 2.98Å
796C26.7Very low27.2Very low86 Ų86147.3 Ų147.358%0.58175%0.751SS**  trans-77.689.7-166.9-133.90000112.5C819C796-C819 HydrophobicContact CB-CB 3.98Å; C796-C819 WeakPolarHBondContact CB-SG 3.42Å; C796-C819 WeakPolarHBondContact SG-CB 3.05Å; C796-C819 CovalentContact SG-SG 2.04Å; C796-C819 PolarHBondContact SG-SG 2.97Å
797I26.1Very low27.5Very low136 Ų136142.7 Ų142.770%0.69775%0.751SS**  trans-131.3109.4177.9-60.1-173.5000113.5D795D795-I797 PolarHBondContact O-N 2.98Å
798K26.5Very low27.8Very low176 Ų176144.4 Ų144.477%0.76576%0.76SS**  trans65.2112.9152.1-64.6170.3-174.5174.30120.6V800K798-V800 PolarHBondContact O-N 3.3Å
799N26.4Very low28.7Very low154 Ų154141 Ų14182%0.82475%0.754SS**  38.274.3125.6-57.712.9000118I801N799-I801 PolarHBondContact O-N 3.12Å
800V26.1Very low29.8Very low122 Ų122142.7 Ų142.774%0.73976%0.762SS**  trans-82.399.2158.5179.70000108.9K798 Y802K798-V800 PolarHBondContact O-N 3.3Å; V800-Y802 PolarHBondContact O-N 2.81Å
801I26.6Very low31.5Very low141 Ų141138.7 Ų138.772%0.72375%0.748SS**  trans-71.8113.9168.5-62.6173.3000107.6N799 K803N799-I801 PolarHBondContact O-N 3.12Å; I801-K803 PolarHBondContact O-N 3.29Å
802Y34.1Very low33.1Very low166 Ų166133.1 Ų133.165%0.65172%0.722SS**  trans-66.3105.8170.3-77.1-91.4000109.8V800V800-Y802 PolarHBondContact O-N 2.81Å
803K25.5Very low35.3Very low188 Ų188130.3 Ų130.382%0.81771%0.714SS**  trans-99.6108.6156.6-73.2-172.7175.1-174.50107.8I801I801-K803 PolarHBondContact O-N 3.29Å
804E31.4Very low37.6Very low149 Ų149125.8 Ų125.870%0.69668%0.683SS**  trans-110.8141.5158-69.3-167.1145.400107.9
805D28.7Very low39.4Very low170 Ų170121 Ų12191%0.90967%0.666SS**  trans-83.7128-171.8-65.5-61.1000112.6
806G30Very low41.2Very low83 Ų83116.3 Ų116.386%0.85664%0.64SS**SBendtrans99.499.2158.700000117.2
807G32.6Very low42.6Very low71 Ų71117.4 Ų117.473%0.73264%0.637SS**  trans116.5118.5161.800000114.4V809G807-V809 PolarHBondContact O-N 2.89Å
808N31.8Very low44Very low175 Ų175114.7 Ų114.794%0.93662%0.621SS**  trans-71.994.8-173-69.3-8.2000113.4
809V44.3Very low45.9Very low107 Ų107109.9 Ų109.965%0.64861%0.609SS**  trans-133.5108.5146.4-177.30000107.5G807 L811G807-V809 PolarHBondContact O-N 2.89Å; V809-L811 PolarHBondContact O-N 3.37Å; V809-L811 VanDerWaalsContact O-N 3.11Å
810Q49.5Very low48Very low184 Ų184104.5 Ų104.586%0.8658%0.58SS**  trans-75.6103.2-178.8-165.21671.600109.1C812Q810-C812 PolarHBondContact O-N 2.88Å; Q810-C812 VanDerWaalsContact O-N 3.12Å
811L59.4Low50.5Low87 Ų87102.7 Ų102.746%0.45557%0.571SS.*  trans-7996.2-170.3-152.3166.9000109.8V809 V813 L1033V809-L811 PolarHBondContact O-N 3.37Å; V809-L811 VanDerWaalsContact O-N 3.11Å; L811-V813 HydrophobicContact CD2-CG2 3.61Å; L811-V813 PolarHBondContact O-N 2.83Å; L811-L1033 HydrophobicContact CD2-CD2 4.45Å; L811-L1033 HydrophobicContact CD2-CG 4.5Å
812C62.8Low53.1Low44 Ų44100 Ų10030%0.29756%0.557SS.*  trans-67.4115.4-178.3-670000111.3Q810 C1035 Y1036 Y1046Q810-C812 PolarHBondContact O-N 2.88Å; Q810-C812 VanDerWaalsContact O-N 3.12Å; C812-C1035 WeakPolarHBondContact O-CA 3.34Å; C812-Y1036 PolarHBondContact O-N 3.02Å; C812-Y1036 VanDerWaalsContact O-N 3.12Å; C812-Y1046 HydrophobicContact CB-CE2 4.47Å; C812-Y1046 WeakPolarHBondContact CB-OH 3.45Å; C812-Y1046 PolarHBondContact SG-OH 2.77Å
813V70Confident55.5Low83 Ų8392.4 Ų92.450%0.50353%0.528SS..BIsolated β-bridgetrans-126.7121.9178.8175.90000109L811 S815 Y1036L811-V813 HydrophobicContact CD2-CG2 3.61Å; L811-V813 PolarHBondContact O-N 2.83Å; V813-S815 PolarHBondContact O-N 2.71Å; V813-Y1036 WeakPolarHBondContact CA-O 3.3Å; V813-Y1036 HydrophobicContact CG1-CD1 4.09Å
814E75Confident58.6Low14 Ų1483.5 Ų83.57%0.06549%0.489CS..  trans-72.2122.9174.6-172.7-172.3-160.500110.6R1024 Y1036 G1037 S1038 F1041 R2196E814-R1024 PolarHBondContact O-NH1 2.94Å; E814-R1024 PolarHBondContact O-NH2 3.08Å; E814-R1024 IonicContact OE2-CZ 3.16Å; E814-R1024 IonicContact OE2-NH2 2.66Å; E814-R1024 PolarHBondContact OE2-NH2 3.4Å; E814-Y1036 PolarHBondContact N-O 2.9Å; E814-G1037 WeakPolarHBondContact OE2-CA 3.25Å; E814-S1038 PolarHBondContact OE2-N 2.76Å; E814-F1041 HydrophobicContact CB-CD1 4.14Å; E814-F1041 HydrophobicContact CB-CE1 4.07Å; E814-F1041 HydrophobicContact CB-CZ 4.42Å; E814-R2196 IonicContact OE1-CZ 3.75Å; E814-R2196 IonicContact OE1-NH1 2.81Å; E814-R2196 PolarHBondContact OE1-NH1 3.21Å; E814-R2196 IonicContact OE1-NH2 2.89Å; E814-R2196 PolarHBondContact OE1-NH2 2.74Å
815S67.9Low61.3Low73 Ų7377.1 Ų77.151%0.5146%0.462SS..  trans-62.3138.117231.80000111.5V813 H817 R1024V813-S815 PolarHBondContact O-N 2.71Å; S815-H817 PolarHBondContact O-CD2 3.27Å; S815-H817 PolarHBondContact O-N 2.89Å; S815-H817 PolarHBondContact OG-CE1 3.36Å; S815-H817 PolarHBondContact OG-NE2 2.99Å; S815-R1024 VanDerWaalsContact C-NH2 3.35Å; S815-R1024 PolarHBondContact O-NH2 2.82Å
816N63.2Low64.2Low34 Ų3469.1 Ų69.118%0.18242%0.419CS..  trans-92.793.2-178.1-152.129.1000110.1E818 Y849 Q852 R1024N816-E818 VanDerWaalsContact C-N 3.28Å; N816-E818 PolarHBondContact O-N 3.05Å; N816-Y849 HydrophobicContact CB-CE1 4.28Å; N816-Y849 HydrophobicContact CB-CE2 4.22Å; N816-Y849 VanDerWaalsContact ND2-CD1 3.3Å; N816-Y849 WeakPolarHBondContact ND2-CD1 3.4Å; N816-Y849 WeakPolarHBondContact ND2-CD2 3.28Å; N816-Y849 WeakPolarHBondContact ND2-CE1 3.43Å; N816-Y849 WeakPolarHBondContact ND2-CE2 3.3Å; N816-Q852 PolarHBondContact OD1-NE2 3.3Å; N816-Q852 VanDerWaalsContact OD1-NE2 3.17Å; N816-R1024 PolarHBondContact OD1-NE 3.05Å; N816-R1024 PolarHBondContact OD1-NH2 2.74Å
817H56Low66.9Low108 Ų10870.5 Ų70.550%0.540%0.401SS..THydrogen-bonded Turntrans-72.7-15.6-170.3-65.5-84.7000114.5S815 C819S815-H817 PolarHBondContact O-CD2 3.27Å; S815-H817 PolarHBondContact O-N 2.89Å; S815-H817 PolarHBondContact OG-CE1 3.36Å; S815-H817 PolarHBondContact OG-NE2 2.99Å; H817-C819 VanDerWaalsContact C-N 3.33Å; H817-C819 PolarHBondContact O-N 3.11Å
818E57.3Low69.5Low79 Ų7970.5 Ų70.537%0.36938%0.384SS..THydrogen-bonded Turntrans-81-2.1-175.3-58.8-174.8122.900114.9N816 L820 Q852N816-E818 VanDerWaalsContact C-N 3.28Å; N816-E818 PolarHBondContact O-N 3.05Å; E818-L820 HydrophobicContact CB-CD1 4.05Å; E818-L820 HydrophobicContact CB-CG 3.97Å; E818-L820 PolarHBondContact O-N 3.19Å; E818-L820 WeakPolarHBondContact OE2-CD1 3.47Å; E818-Q852 PolarHBondContact OE2-NE2 3.43Å; E818-Q852 VanDerWaalsContact OE2-NE2 3.08Å
819C66Low72.2Confident76 Ų7662.1 Ų62.151%0.51434%0.34SS..  trans52.526.7-179.6-760000115.9C796 H817C796-C819 HydrophobicContact CB-CB 3.98Å; C796-C819 WeakPolarHBondContact CB-SG 3.42Å; C796-C819 WeakPolarHBondContact SG-CB 3.05Å; C796-C819 CovalentContact SG-SG 2.04Å; C796-C819 PolarHBondContact SG-SG 2.97Å; H817-C819 VanDerWaalsContact C-N 3.33Å; H817-C819 PolarHBondContact O-N 3.11Å
820L70.4Confident74.3Confident40 Ų4057.6 Ų57.621%0.20931%0.313CS..PPolyproline II helixtrans-63.4139.8177.8-67.9165.6000111.4E818 Y849 Q852E818-L820 HydrophobicContact CB-CD1 4.05Å; E818-L820 HydrophobicContact CB-CG 3.97Å; E818-L820 PolarHBondContact O-N 3.19Å; E818-L820 WeakPolarHBondContact OE2-CD1 3.47Å; L820-Y849 WeakPolarHBondContact O-CD1 3.42Å; L820-Q852 HydrophobicContact CD1-CG 3.8Å
821P77.3Confident76.1Confident85 Ų8550.2 Ų50.255%0.55228%0.278SS*.PPolyproline II helixtrans-68.4142.2-178.624-31.1000112.7S823 T850P821-S823 PolarHBondContact O-N 3.07Å; P821-T850 WeakPolarHBondContact CD-OG1 3.39Å; P821-T850 HydrophobicContact CG-CG2 4.17Å; P821-T850 WeakPolarHBondContact CG-OG1 3.46Å; P821-T850 PolarHBondContact O-N 3.22Å; P821-T850 PolarHBondContact O-OG1 3.31Å
822I81.8Confident77.2Confident83 Ų8350.3 Ų50.343%0.42628%0.277SS..EExtended strand (participates in β ladder)trans-75.5121.1-179.6-60.9163.6000109.6I824 E847 Y849I822-I824 WeakPolarHBondContact CG2-O 3.42Å; I822-E847 HydrophobicContact CG2-CB 4.19Å; I822-Y849 HydrophobicContact CG1-CD1 4.02Å; I822-Y849 HydrophobicContact CG1-CE1 3.8Å
823S85.1Confident77.5Confident8 Ų852.1 Ų52.16%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-98.1-33.9-178.5-173.70000112.7P821 F848 C885 V977 T1007P821-S823 PolarHBondContact O-N 3.07Å; S823-F848 PolarHBondContact N-O 3.21Å; S823-C885 PolarHBondContact O-N 3.15Å; S823-V977 WeakPolarHBondContact OG-CG2 3.24Å; S823-T1007 WeakPolarHBondContact CB-OG1 3.23Å; S823-T1007 PolarHBondContact OG-OG1 2.94Å
824I89.7Confident77.2Confident0 Ų055.2 Ų55.20%029%0.292CS..EExtended strand (participates in β ladder)trans-130.7132.9170.7-60.6167000108.4I822 V826 E847 F848 L871 M883 I884 V977 L979 I1009I822-I824 WeakPolarHBondContact CG2-O 3.42Å; I824-V826 HydrophobicContact CG2-CG2 4.06Å; I824-E847 WeakPolarHBondContact O-CA 3.44Å; I824-F848 HydrophobicContact CB-CB 4.16Å; I824-F848 HydrophobicContact CB-CD2 3.8Å; I824-F848 HydrophobicContact CB-CG 4.39Å; I824-F848 HydrophobicContact CG2-CD2 3.82Å; I824-F848 HydrophobicContact CG2-CE2 4.3Å; I824-F848 PolarHBondContact N-O 3.27Å; I824-F848 PolarHBondContact O-N 2.88Å; I824-L871 HydrophobicContact CG2-CD2 3.88Å; I824-M883 WeakPolarHBondContact CA-O 3.44Å; I824-I884 HydrophobicContact CG1-CB 4.47Å; I824-I884 HydrophobicContact CG1-CG1 4.18Å; I824-I884 HydrophobicContact CG1-CG2 4.15Å; I824-V977 HydrophobicContact CD1-CG1 3.62Å; I824-V977 HydrophobicContact CG1-CG1 4.29Å; I824-L979 HydrophobicContact CD1-CD2 4.38Å; I824-I1009 HydrophobicContact CD1-CD1 3.51Å; I824-I1009 HydrophobicContact CD1-CG1 4.48Å
825S89.7Confident76.1Confident16 Ų1664.6 Ų64.611%0.11233%0.332CS..EExtended strand (participates in β ladder)trans-126.4131.6172.41790000109.8K827 E847 A882 M883S825-K827 WeakPolarHBondContact OG-CE 3.35Å; S825-E847 PolarHBondContact OG-OE1 3.09Å; S825-A882 WeakPolarHBondContact O-CA 3.43Å; S825-M883 PolarHBondContact N-O 2.86Å; S825-M883 VanDerWaalsContact N-O 3.14Å; S825-M883 PolarHBondContact O-N 3.32Å
826V89.1Confident75.4Confident1 Ų171.4 Ų71.41%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-124.1120.7-177.4-178.50000108.4I824 L829 N845 I846 F848 L867 L871 A882I824-V826 HydrophobicContact CG2-CG2 4.06Å; V826-L829 HydrophobicContact CG1-CB 3.46Å; V826-L829 VanDerWaalsContact CG1-CB 3.46Å; V826-L829 HydrophobicContact CG1-CD1 4.48Å; V826-L829 HydrophobicContact CG1-CD2 3.7Å; V826-L829 HydrophobicContact CG1-CG 4.06Å; V826-N845 WeakPolarHBondContact O-CA 3.48Å; V826-I846 HydrophobicContact CB-CG2 3.94Å; V826-I846 WeakPolarHBondContact CB-O 3.39Å; V826-I846 HydrophobicContact CG1-CG2 4.46Å; V826-I846 HydrophobicContact CG2-CG2 4.21Å; V826-I846 PolarHBondContact N-O 2.73Å; V826-I846 PolarHBondContact O-N 2.81Å; V826-I846 VanDerWaalsContact O-N 3.13Å; V826-F848 HydrophobicContact CG2-CE2 4.29Å; V826-L867 HydrophobicContact CG1-CD1 4.32Å; V826-L871 HydrophobicContact CG2-CD2 4.31Å; V826-A882 HydrophobicContact CG2-CB 4.23Å
827K87.1Confident75Confident112 Ų11272 Ų7249%0.48736%0.359SS..EExtended strand (participates in β ladder)trans-128.7122.4-173.2-55.3-161-178.1-156.20112.5S825 L829 N845 E847 G880 L881S825-K827 WeakPolarHBondContact OG-CE 3.35Å; K827-L829 PolarHBondContact O-N 2.86Å; K827-N845 VanDerWaalsContact CA-OD1 3.31Å; K827-N845 WeakPolarHBondContact CA-OD1 3.38Å; K827-E847 WeakPolarHBondContact CE-OE1 3.45Å; K827-E847 IonicContact NZ-OE1 3.47Å; K827-E847 PolarHBondContact NZ-OE1 3.39Å; K827-G880 WeakPolarHBondContact O-CA 3.32Å; K827-L881 PolarHBondContact N-O 3.04Å; K827-L881 PolarHBondContact O-N 3.25Å
828N87.2Confident75.6Confident71 Ų7174.5 Ų74.538%0.3837%0.369SS..EExtended strand (participates in β ladder)trans42.742.3-175.9-75.20.5000114S830 L844 N845 G880N828-S830 PolarHBondContact O-N 3.18Å; N828-L844 PolarHBondContact N-O 3.19Å; N828-N845 PolarHBondContact N-OD1 3.1Å; N828-N845 PolarHBondContact OD1-ND2 3.03Å; N828-N845 PolarHBondContact OD1-OD1 2.91Å; N828-N845 VanDerWaalsContact OD1-OD1 3.13Å; N828-G880 VanDerWaalsContact O-CA 3.25Å; N828-G880 WeakPolarHBondContact O-CA 3.46Å
829L87.4Confident76.5Confident0 Ų073 Ų730%037%0.366CS..EExtended strand (participates in β ladder)trans-76.5121.5-173.3-162.381.5000111.2V826 K827 L841 H843 L844 L867 I870 P877 A882V826-L829 HydrophobicContact CG1-CB 3.46Å; V826-L829 VanDerWaalsContact CG1-CB 3.46Å; V826-L829 HydrophobicContact CG1-CD1 4.48Å; V826-L829 HydrophobicContact CG1-CD2 3.7Å; V826-L829 HydrophobicContact CG1-CG 4.06Å; K827-L829 PolarHBondContact O-N 2.86Å; L829-L841 HydrophobicContact CD2-CD1 4.12Å; L829-H843 PolarHBondContact O-N 3.02Å; L829-L844 HydrophobicContact CB-CB 4.5Å; L829-L844 PolarHBondContact N-O 3.48Å; L829-L844 PolarHBondContact O-N 2.9Å; L829-L867 HydrophobicContact CD2-CD1 3.56Å; L829-I870 HydrophobicContact CD1-CG2 4.41Å; L829-I870 HydrophobicContact CD2-CD1 4.01Å; L829-I870 HydrophobicContact CD2-CG2 4.14Å; L829-P877 HydrophobicContact CD1-CB 3.66Å; L829-P877 HydrophobicContact CD1-CG 4.15Å; L829-P877 HydrophobicContact CG-CB 4.33Å; L829-A882 HydrophobicContact CD1-CB 4.26Å
830S88.5Confident77.2Confident12 Ų1270.2 Ų70.28%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-127.8154.1177.377.50000112.8N828 L841 S878 N879N828-S830 PolarHBondContact O-N 3.18Å; S830-L841 CarbonylContact C-O 3.56Å; S830-L841 VanDerWaalsContact CA-O 3.28Å; S830-L841 WeakPolarHBondContact CA-O 3.26Å; S830-S878 WeakPolarHBondContact O-CB 3.27Å; S830-S878 PolarHBondContact O-N 2.94Å; S830-N879 PolarHBondContact N-O 3Å; S830-N879 PolarHBondContact OG-N 3.01Å
831K86.4Confident78.1Confident28 Ų2868.3 Ų68.312%0.12234%0.339CS..EExtended strand (participates in β ladder)trans-151.4121-177.6-174.758.2174.3177.40112.4Y833 A840 L841 T866 I870 K876K831-Y833 HydrophobicContact CG-CD2 4.44Å; K831-Y833 HydrophobicContact CG-CE2 3.89Å; K831-A840 PolarHBondContact O-N 3.39Å; K831-L841 HydrophobicContact CB-CB 4.1Å; K831-L841 HydrophobicContact CB-CD1 4.42Å; K831-L841 HydrophobicContact CB-CG 4.46Å; K831-L841 PolarHBondContact N-O 3.32Å; K831-L841 PolarHBondContact O-N 2.83Å; K831-T866 HydrophobicContact CB-CG2 4.03Å; K831-T866 HydrophobicContact CG-CG2 3.63Å; K831-I870 HydrophobicContact CB-CD1 4.19Å; K831-I870 HydrophobicContact CG-CD1 4.31Å; K831-K876 PolarHBondContact NZ-O 2.72Å
832M82.8Confident78.5Confident90 Ų9066.1 Ų66.144%0.44332%0.322SS..  trans-114.1150170.3-61.8-178.779.900111.6S837 P839 S878M832-S837 VanDerWaalsContact CE-O 3.3Å; M832-S837 WeakPolarHBondContact CE-O 3.43Å; M832-P839 HydrophobicContact CG-CB 4.19Å; M832-S878 PolarHBondContact N-OG 3.05Å
833Y69.4Low78.7Confident82 Ų8267 Ų6732%0.32232%0.324SS..SBendtrans-121.894.6178.1-68.9-82.8000110.6K831 S837 A840 T866 H875K831-Y833 HydrophobicContact CG-CD2 4.44Å; K831-Y833 HydrophobicContact CG-CE2 3.89Å; Y833-S837 PolarHBondContact N-OG 3.39Å; Y833-S837 WeakPolarHBondContact O-CB 3.38Å; Y833-S837 PolarHBondContact O-OG 3.03Å; Y833-S837 VanDerWaalsContact O-OG 3.09Å; Y833-A840 HydrophobicContact CD2-CB 3.8Å; Y833-A840 HydrophobicContact CE2-CB 3.69Å; Y833-T866 HydrophobicContact CE2-CG2 3.98Å; Y833-T866 WeakPolarHBondContact OH-CG2 3.38Å; Y833-T866 PolarHBondContact OH-OG1 3.48Å; Y833-H875 PolarHBondContact OH-CD2 3.46Å
834N64.6Low78.8Confident147 Ų14766.7 Ų66.779%0.78632%0.322SS*.SBendtrans71.8147.9-167.4-48.7-48.7000113.8K836 S837N834-K836 PolarHBondContact O-N 3.17Å; N834-S837 PolarHBondContact O-N 2.94Å
835K52.1Low78.7Confident212 Ų21268.7 Ų68.792%0.92233%0.333SS*.THydrogen-bonded Turntrans-63.6-5.6-171.5-72.7-168.8174.4-171.60116.4
836K51.9Low78.7Confident216 Ų21668.4 Ų68.494%0.93933%0.33SS*.THydrogen-bonded Turntrans-117.89.7-177.4-70.5-166.3174-170.70114.2N834N834-K836 PolarHBondContact O-N 3.17Å
837S56.3Low78.7Confident46 Ų4670.3 Ų70.332%0.32234%0.339SS..SBendtrans-96157.5176.279.10000112.1M832 Y833 N834M832-S837 VanDerWaalsContact CE-O 3.3Å; M832-S837 WeakPolarHBondContact CE-O 3.43Å; Y833-S837 PolarHBondContact N-OG 3.39Å; Y833-S837 WeakPolarHBondContact O-CB 3.38Å; Y833-S837 PolarHBondContact O-OG 3.03Å; Y833-S837 VanDerWaalsContact O-OG 3.09Å; N834-S837 PolarHBondContact O-N 2.94Å
838K66.9Low78.8Confident160 Ų16065 Ų6570%0.69632%0.316SS*.PPolyproline II helixtrans-56.4151.7158.8-75.5-167.2172.5-167.50110
839P76.9Confident78.9Confident47 Ų4763.3 Ų63.331%0.30530%0.304SS..PPolyproline II helixtrans-61.1142.1168.627.2-34000110.5M832 D842M832-P839 HydrophobicContact CG-CB 4.19Å; P839-D842 HydrophobicContact CB-CB 4.17Å; P839-D842 HydrophobicContact CG-CB 4.05Å
840A81.4Confident78.8Confident19 Ų1965.1 Ų65.116%0.15732%0.315CS..SBendtrans-92.8-19.9173.600000112.2K831 Y833 G863 T866K831-A840 PolarHBondContact O-N 3.39Å; Y833-A840 HydrophobicContact CD2-CB 3.8Å; Y833-A840 HydrophobicContact CE2-CB 3.69Å; A840-G863 WeakPolarHBondContact O-CA 3.23Å; A840-T866 HydrophobicContact CB-CG2 4.43Å
841L88.1Confident78.7Confident0 Ų067 Ų670%032%0.324CS..EExtended strand (participates in β ladder)trans-140.8136.7162.9-67.1174000106.8L829 S830 K831 L844 T866 L867 I870L829-L841 HydrophobicContact CD2-CD1 4.12Å; S830-L841 CarbonylContact C-O 3.56Å; S830-L841 VanDerWaalsContact CA-O 3.28Å; S830-L841 WeakPolarHBondContact CA-O 3.26Å; K831-L841 HydrophobicContact CB-CB 4.1Å; K831-L841 HydrophobicContact CB-CD1 4.42Å; K831-L841 HydrophobicContact CB-CG 4.46Å; K831-L841 PolarHBondContact N-O 3.32Å; K831-L841 PolarHBondContact O-N 2.83Å; L841-L844 HydrophobicContact CD2-CD2 4.46Å; L841-T866 HydrophobicContact CD1-CG2 3.94Å; L841-T866 HydrophobicContact CG-CG2 4.12Å; L841-L867 HydrophobicContact CD1-CB 4.14Å; L841-L867 HydrophobicContact CD1-CD1 4.17Å; L841-L867 HydrophobicContact CD2-CB 4.5Å; L841-I870 HydrophobicContact CD1-CD1 3.87Å
842D85.6Confident78.7Confident39 Ų3966.1 Ų66.121%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-131.7105.4-177.4-172.126.4000110.2P839 L844 G1031 K1032P839-D842 HydrophobicContact CB-CB 4.17Å; P839-D842 HydrophobicContact CG-CB 4.05Å; D842-L844 VanDerWaalsContact C-N 3.27Å; D842-L844 PolarHBondContact O-N 3.38Å; D842-G1031 PolarHBondContact N-O 3.01Å; D842-K1032 HydrophobicContact CB-CG 4.17Å; D842-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D842-K1032 IonicContact OD2-NZ 3.3Å; D842-K1032 PolarHBondContact OD2-NZ 3.28Å
843H86.7Confident79.1Confident100 Ų10061.9 Ų61.946%0.46330%0.3SS..EExtended strand (participates in β ladder)trans47.642.4178.4-59.785.5000114.7L829 N845L829-H843 PolarHBondContact O-N 3.02Å; H843-N845 PolarHBondContact O-N 2.85Å
844L87.9Confident80.2Confident2 Ų258 Ų581%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-68.6125-176.6-162.387.1000111.4N828 L829 L841 D842 I846 L867 I1028 L1033N828-L844 PolarHBondContact N-O 3.19Å; L829-L844 HydrophobicContact CB-CB 4.5Å; L829-L844 PolarHBondContact N-O 3.48Å; L829-L844 PolarHBondContact O-N 2.9Å; L841-L844 HydrophobicContact CD2-CD2 4.46Å; D842-L844 VanDerWaalsContact C-N 3.27Å; D842-L844 PolarHBondContact O-N 3.38Å; L844-I846 HydrophobicContact CD2-CG2 3.87Å; L844-I846 HydrophobicContact CG-CG2 4.44Å; L844-L867 HydrophobicContact CD2-CD1 3.89Å; L844-L867 HydrophobicContact CD2-CD2 3.84Å; L844-L867 HydrophobicContact CD2-CG 4.47Å; L844-I1028 HydrophobicContact CD1-CD1 4.13Å; L844-I1028 HydrophobicContact CD2-CD1 4.37Å; L844-L1033 HydrophobicContact CD1-CB 4.21Å
845N87.9Confident81.5Confident43 Ų4351 Ų5123%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-112.6123.3168.2-71.5-48000109V826 K827 N828 H843V826-N845 WeakPolarHBondContact O-CA 3.48Å; K827-N845 VanDerWaalsContact CA-OD1 3.31Å; K827-N845 WeakPolarHBondContact CA-OD1 3.38Å; N828-N845 PolarHBondContact N-OD1 3.1Å; N828-N845 PolarHBondContact OD1-ND2 3.03Å; N828-N845 PolarHBondContact OD1-OD1 2.91Å; N828-N845 VanDerWaalsContact OD1-OD1 3.13Å; H843-N845 PolarHBondContact O-N 2.85Å
846I89.1Confident83.4Confident10 Ų1040.9 Ų40.95%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-161.5146.7175.1-170.9163.1000110.7V826 L844 F848 L856 A1026 L1033V826-I846 HydrophobicContact CB-CG2 3.94Å; V826-I846 WeakPolarHBondContact CB-O 3.39Å; V826-I846 HydrophobicContact CG1-CG2 4.46Å; V826-I846 HydrophobicContact CG2-CG2 4.21Å; V826-I846 PolarHBondContact N-O 2.73Å; V826-I846 PolarHBondContact O-N 2.81Å; V826-I846 VanDerWaalsContact O-N 3.13Å; L844-I846 HydrophobicContact CD2-CG2 3.87Å; L844-I846 HydrophobicContact CG-CG2 4.44Å; I846-F848 HydrophobicContact CB-CE2 4.5Å; I846-F848 HydrophobicContact CD1-CE1 4.07Å; I846-F848 HydrophobicContact CD1-CZ 3.86Å; I846-F848 HydrophobicContact CG1-CE1 4.34Å; I846-F848 HydrophobicContact CG1-CE2 4.19Å; I846-F848 HydrophobicContact CG1-CZ 3.96Å; I846-F848 HydrophobicContact CG2-CE2 3.7Å; I846-F848 HydrophobicContact CG2-CZ 3.86Å; I846-L856 HydrophobicContact CD1-CD2 4.36Å; I846-A1026 HydrophobicContact CD1-CB 3.8Å; I846-L1033 HydrophobicContact CD1-CD1 4.45Å
847E88.5Confident85.1Confident41 Ų4130.6 Ų30.619%0.19216%0.158CC..EExtended strand (participates in β ladder)trans-130.2146.6179.7-56.8-165.8133.200110I822 I824 S825 K827 Y1036I822-E847 HydrophobicContact CG2-CB 4.19Å; I824-E847 WeakPolarHBondContact O-CA 3.44Å; S825-E847 PolarHBondContact OG-OE1 3.09Å; K827-E847 WeakPolarHBondContact CE-OE1 3.45Å; K827-E847 IonicContact NZ-OE1 3.47Å; K827-E847 PolarHBondContact NZ-OE1 3.39Å; E847-Y1036 PolarHBondContact O-OH 2.81Å
848F90.1Very high86.4Confident0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-130132.3-173.4-54.1-93.4000110.5S823 I824 V826 I846 T854 T1007 I1009S823-F848 PolarHBondContact N-O 3.21Å; I824-F848 HydrophobicContact CB-CB 4.16Å; I824-F848 HydrophobicContact CB-CD2 3.8Å; I824-F848 HydrophobicContact CB-CG 4.39Å; I824-F848 HydrophobicContact CG2-CD2 3.82Å; I824-F848 HydrophobicContact CG2-CE2 4.3Å; I824-F848 PolarHBondContact N-O 3.27Å; I824-F848 PolarHBondContact O-N 2.88Å; V826-F848 HydrophobicContact CG2-CE2 4.29Å; I846-F848 HydrophobicContact CB-CE2 4.5Å; I846-F848 HydrophobicContact CD1-CE1 4.07Å; I846-F848 HydrophobicContact CD1-CZ 3.86Å; I846-F848 HydrophobicContact CG1-CE1 4.34Å; I846-F848 HydrophobicContact CG1-CE2 4.19Å; I846-F848 HydrophobicContact CG1-CZ 3.96Å; I846-F848 HydrophobicContact CG2-CE2 3.7Å; I846-F848 HydrophobicContact CG2-CZ 3.86Å; F848-T854 HydrophobicContact CD1-CG2 3.7Å; F848-T854 HydrophobicContact CE1-CG2 3.7Å; F848-T1007 HydrophobicContact CB-CG2 4.17Å; F848-I1009 HydrophobicContact CB-CD1 4.29Å; F848-I1009 HydrophobicContact CD1-CD1 3.52Å; F848-I1009 HydrophobicContact CD1-CG1 3.64Å; F848-I1009 HydrophobicContact CD2-CD1 3.74Å; F848-I1009 HydrophobicContact CE1-CD1 3.59Å; F848-I1009 HydrophobicContact CE1-CG1 3.87Å; F848-I1009 HydrophobicContact CE1-CG2 4.19Å; F848-I1009 HydrophobicContact CE2-CD1 3.78Å; F848-I1009 HydrophobicContact CG-CD1 3.59Å; F848-I1009 HydrophobicContact CG-CG1 4.08Å; F848-I1009 HydrophobicContact CZ-CD1 3.72Å; F848-I1009 HydrophobicContact CZ-CG1 4.48Å
849Y87.7Confident86.8Confident36 Ų3622.9 Ų22.914%0.14112%0.12CC..EExtended strand (participates in β ladder)trans-103.1149.9-167.4-54-87.3000112.2N816 L820 I822N816-Y849 HydrophobicContact CB-CE1 4.28Å; N816-Y849 HydrophobicContact CB-CE2 4.22Å; N816-Y849 VanDerWaalsContact ND2-CD1 3.3Å; N816-Y849 WeakPolarHBondContact ND2-CD1 3.4Å; N816-Y849 WeakPolarHBondContact ND2-CD2 3.28Å; N816-Y849 WeakPolarHBondContact ND2-CE1 3.43Å; N816-Y849 WeakPolarHBondContact ND2-CE2 3.3Å; L820-Y849 WeakPolarHBondContact O-CD1 3.42Å; I822-Y849 HydrophobicContact CG1-CD1 4.02Å; I822-Y849 HydrophobicContact CG1-CE1 3.8Å
850T87.2Confident86.6Confident37 Ų3724.3 Ų24.323%0.22713%0.125CC..THydrogen-bonded Turntrans-65.4148.6172.357.10000111.7P821 Q852P821-T850 WeakPolarHBondContact CD-OG1 3.39Å; P821-T850 HydrophobicContact CG-CG2 4.17Å; P821-T850 WeakPolarHBondContact CG-OG1 3.46Å; P821-T850 PolarHBondContact O-N 3.22Å; P821-T850 PolarHBondContact O-OG1 3.31Å; T850-Q852 PolarHBondContact O-N 2.97Å
851N86.2Confident86.2Confident51 Ų5126.9 Ų26.927%0.27315%0.153SC..THydrogen-bonded Turntrans66.311.2177.8-151.553.5000114.7K1003 L1004 N1005 K1006N851-K1003 WeakPolarHBondContact O-CE 3.46Å; N851-L1004 WeakPolarHBondContact OD1-CA 2.9Å; N851-N1005 PolarHBondContact OD1-N 2.81Å; N851-K1006 VanDerWaalsContact CA-O 3.25Å; N851-K1006 WeakPolarHBondContact CA-O 3.46Å; N851-K1006 PolarHBondContact N-O 3.24Å
852Q86.4Confident85.8Confident11 Ų1127 Ų275%0.05115%0.154CC..  trans-117148.1171.6-73-179.2-8.300111.1N816 E818 L820 T850 I1008 D1023N816-Q852 PolarHBondContact OD1-NE2 3.3Å; N816-Q852 VanDerWaalsContact OD1-NE2 3.17Å; E818-Q852 PolarHBondContact OE2-NE2 3.43Å; E818-Q852 VanDerWaalsContact OE2-NE2 3.08Å; L820-Q852 HydrophobicContact CD1-CG 3.8Å; T850-Q852 PolarHBondContact O-N 2.97Å; Q852-I1008 PolarHBondContact O-N 3.44Å; Q852-D1023 WeakPolarHBondContact CA-OD2 3.33Å; Q852-D1023 HydrophobicContact CB-CB 4.44Å; Q852-D1023 HydrophobicContact CG-CB 4.49Å
853I91.1Very high85.7Confident0 Ų025.3 Ų25.30%015%0.147CC..EExtended strand (participates in β ladder)trans-98.1125168.4-54.1174000108I999 L1000 K1003 I1008 I1010 L1021 D1023 R1024I853-I999 HydrophobicContact CD1-CG2 3.97Å; I853-L1000 HydrophobicContact CD1-CD2 4.07Å; I853-K1003 HydrophobicContact CD1-CB 4.43Å; I853-K1003 HydrophobicContact CD1-CD 4.03Å; I853-K1003 HydrophobicContact CD1-CG 4.33Å; I853-K1003 HydrophobicContact CG1-CD 4.07Å; I853-K1003 HydrophobicContact CG1-CG 4.12Å; I853-I1008 CarbonylContact C-O 3.58Å; I853-I1008 WeakPolarHBondContact CA-O 3.42Å; I853-I1008 HydrophobicContact CG1-CB 4.19Å; I853-I1008 HydrophobicContact CG1-CD1 4.31Å; I853-I1008 HydrophobicContact CG2-CB 4.36Å; I853-I1008 HydrophobicContact CG2-CG2 4.32Å; I853-I1010 HydrophobicContact CG2-CD1 3.58Å; I853-I1010 HydrophobicContact CG2-CG1 3.95Å; I853-L1021 VanDerWaalsContact CB-O 3.22Å; I853-L1021 WeakPolarHBondContact CB-O 3.41Å; I853-L1021 HydrophobicContact CG2-CB 4.48Å; I853-L1021 VanDerWaalsContact CG2-O 3.22Å; I853-L1021 WeakPolarHBondContact CG2-O 3.48Å; I853-D1023 PolarHBondContact N-OD2 3.2Å; I853-D1023 PolarHBondContact O-N 3.18Å; I853-R1024 PolarHBondContact O-N 3.47Å
854T92.1Very high85.7Confident0 Ų021 Ų210%013%0.126CC..EExtended strand (participates in β ladder)trans-114118.7178.4-50.90000111.5F848 I1008 I1010 R1024 Y1036F848-T854 HydrophobicContact CD1-CG2 3.7Å; F848-T854 HydrophobicContact CE1-CG2 3.7Å; T854-I1008 PolarHBondContact N-O 3.04Å; T854-I1010 PolarHBondContact O-N 2.63Å; T854-R1024 CarbonylContact C-O 3.57Å; T854-R1024 WeakPolarHBondContact CA-O 3.32Å; T854-R1024 HydrophobicContact CG2-CB 4.49Å; T854-Y1036 HydrophobicContact CG2-CE2 3.9Å
855S92.3Very high85.5Confident0 Ų022.8 Ų22.80%014%0.139CC..EExtended strand (participates in β ladder)trans-97.1118.3-178.4-69.90000111.9I1010 G1022 R1024 I1025 A1026S855-I1010 CarbonylContact C-O 3.48Å; S855-I1010 WeakPolarHBondContact CA-O 3.43Å; S855-G1022 WeakPolarHBondContact OG-CA 3.27Å; S855-R1024 PolarHBondContact N-O 3.39Å; S855-I1025 CarbonylContact O-C 3.52Å; S855-I1025 WeakPolarHBondContact O-CA 3.44Å; S855-A1026 PolarHBondContact O-N 2.99Å
856L91.4Very high85.4Confident0 Ų021.8 Ų21.80%014%0.135CC..EExtended strand (participates in β ladder)trans-92.7109.6176.8-74.6162.1000110.2I846 K864 L867 I1009 I1010 T1011 T1012 A1026 I1028I846-L856 HydrophobicContact CD1-CD2 4.36Å; L856-K864 VanDerWaalsContact O-CD 3.27Å; L856-K864 WeakPolarHBondContact O-CD 3.39Å; L856-L867 HydrophobicContact CD1-CD2 4.08Å; L856-L867 HydrophobicContact CD2-CD2 4.41Å; L856-I1009 HydrophobicContact CD1-CG2 3.49Å; L856-I1009 VanDerWaalsContact CD1-CG2 3.49Å; L856-I1009 HydrophobicContact CG-CG2 4.34Å; L856-I1010 PolarHBondContact N-O 3.43Å; L856-T1011 HydrophobicContact CB-CG2 3.82Å; L856-T1011 HydrophobicContact CD1-CG2 3.94Å; L856-T1012 PolarHBondContact O-N 2.87Å; L856-A1026 HydrophobicContact CD2-CB 3.95Å; L856-I1028 HydrophobicContact CD2-CD1 3.71Å; L856-I1028 HydrophobicContact CD2-CG1 4.43Å
857L87Confident85.4Confident0 Ų021.3 Ų21.30%013%0.132CC..EExtended strand (participates in β ladder)trans-101.9162.4175.6-67.3179.9000111.3T1012 M1015 A1018 I1025 A1026 I1027 I1028 L1155L857-T1012 HydrophobicContact CD2-CG2 3.78Å; L857-M1015 HydrophobicContact CD1-CE 4.14Å; L857-M1015 HydrophobicContact CD1-SD 3.68Å; L857-M1015 HydrophobicContact CD2-CE 3.99Å; L857-M1015 HydrophobicContact CD2-SD 4.14Å; L857-A1018 HydrophobicContact CD1-CB 3.92Å; L857-A1018 HydrophobicContact CD2-CB 3.91Å; L857-A1018 HydrophobicContact CG-CB 4.1Å; L857-I1025 HydrophobicContact CD1-CG2 3.46Å; L857-I1025 VanDerWaalsContact CD1-CG2 3.46Å; L857-I1025 HydrophobicContact CG-CG2 4.01Å; L857-A1026 PolarHBondContact N-O 3.35Å; L857-I1027 HydrophobicContact CB-CG1 4.26Å; L857-I1027 HydrophobicContact CD1-CG1 4.47Å; L857-I1028 PolarHBondContact O-N 3.39Å; L857-L1155 HydrophobicContact CD1-CD2 3.53Å
858G83.4Confident85.5Confident1 Ų119.4 Ų19.41%0.0112%0.123CC..  trans152.7153.2-173.700000112.6K864 H1013 I1028G858-K864 WeakPolarHBondContact O-CE 3.41Å; G858-K864 PolarHBondContact O-NZ 2.88Å; G858-H1013 PolarHBondContact O-CE1 2.94Å; G858-H1013 PolarHBondContact O-ND1 3.04Å; G858-I1028 WeakPolarHBondContact CA-O 3.41Å
859H75.7Confident85.2Confident44 Ų4420.4 Ų20.420%0.20413%0.13CC..  trans-63.2164.3177.967.979.7000112.4G861 S862 Q1030H859-G861 PolarHBondContact O-N 2.95Å; H859-S862 VanDerWaalsContact CE1-CA 3.45Å; H859-S862 WeakPolarHBondContact CE1-CA 3.25Å; H859-S862 PolarHBondContact CE1-N 3.4Å; H859-S862 WeakPolarHBondContact O-CB 3.27Å; H859-S862 PolarHBondContact O-N 2.85Å; H859-S862 PolarHBondContact O-OG 3.44Å; H859-Q1030 PolarHBondContact NE2-N 2.98Å
860N74Confident85.2Confident76 Ų7618.8 Ų18.841%0.40612%0.124SC..THydrogen-bonded Turntrans-58.6125.9175-99.9-55.4000110.3D2128N860-D2128 WeakPolarHBondContact CB-OD2 3.41Å; N860-D2128 PolarHBondContact N-OD2 3.19Å; N860-D2128 WeakPolarHBondContact ND2-CB 3.46Å; N860-D2128 PolarHBondContact ND2-OD1 3.12Å
861G72.3Confident85.2Confident73 Ų7317 Ų1775%0.75311%0.113SC*.THydrogen-bonded Turntrans82.47.2-176.700000116.4H859 G863H859-G861 PolarHBondContact O-N 2.95Å; G861-G863 PolarHBondContact O-N 2.78Å
862S79.6Confident85.2Confident2 Ų214.6 Ų14.61%0.01410%0.1CC..SBendtrans-63.1-15.717848.80000116.3H859 I1028 G1031H859-S862 VanDerWaalsContact CE1-CA 3.45Å; H859-S862 WeakPolarHBondContact CE1-CA 3.25Å; H859-S862 PolarHBondContact CE1-N 3.4Å; H859-S862 WeakPolarHBondContact O-CB 3.27Å; H859-S862 PolarHBondContact O-N 2.85Å; H859-S862 PolarHBondContact O-OG 3.44Å; S862-I1028 WeakPolarHBondContact CB-O 3.11Å; S862-I1028 WeakPolarHBondContact O-CG2 3.48Å; S862-G1031 VanDerWaalsContact O-CA 3.29Å; S862-G1031 WeakPolarHBondContact O-CA 3.28Å; S862-G1031 PolarHBondContact O-N 3.4Å
863G82.2Confident84.8Confident5 Ų514.8 Ų14.85%0.05211%0.105CC..SBendtrans121.4-17.4179.800000115.2A840 G861 S865 T866 L867A840-G863 WeakPolarHBondContact O-CA 3.23Å; G861-G863 PolarHBondContact O-N 2.78Å; G863-S865 PolarHBondContact O-N 2.9Å; G863-T866 WeakPolarHBondContact O-CA 3.39Å; G863-T866 VanDerWaalsContact O-CB 3.26Å; G863-T866 WeakPolarHBondContact O-CB 3.46Å; G863-T866 PolarHBondContact O-N 3.15Å; G863-L867 PolarHBondContact O-N 3.48Å
864K86.9Confident84.1Confident9 Ų916 Ų164%0.03911%0.111CC..Hα-helixtrans-37.4-70.4-176.1-68.5-170.6-58.2-171.40115.2L856 G858 T866 L867 I868 T1011 T1012 H1013L856-K864 VanDerWaalsContact O-CD 3.27Å; L856-K864 WeakPolarHBondContact O-CD 3.39Å; G858-K864 WeakPolarHBondContact O-CE 3.41Å; G858-K864 PolarHBondContact O-NZ 2.88Å; K864-T866 PolarHBondContact O-N 3.22Å; K864-L867 WeakPolarHBondContact O-CB 3.14Å; K864-L867 PolarHBondContact O-N 3.05Å; K864-I868 PolarHBondContact O-N 2.99Å; K864-T1011 HydrophobicContact CB-CG2 3.78Å; K864-T1011 HydrophobicContact CD-CG2 4.46Å; K864-T1011 HydrophobicContact CG-CG2 4.41Å; K864-T1012 PolarHBondContact NZ-O 3.23Å; K864-H1013 PolarHBondContact NZ-CD2 3.21Å; K864-H1013 VanDerWaalsContact NZ-CD2 3.34Å; K864-H1013 PolarHBondContact NZ-CE1 2.67Å; K864-H1013 PolarHBondContact NZ-ND1 2.71Å; K864-H1013 PolarHBondContact NZ-NE2 3.26Å
865S83.6Confident83.3Confident40 Ų4019 Ų1928%0.2813%0.125SC..Hα-helixtrans-71.1-13.6-177.6-43.70000113.6G863 S869 D981G863-S865 PolarHBondContact O-N 2.9Å; S865-S869 VanDerWaalsContact O-CB 3.3Å; S865-S869 WeakPolarHBondContact O-CB 3.42Å; S865-S869 PolarHBondContact O-N 2.7Å; S865-S869 PolarHBondContact O-OG 2.96Å; S865-D981 WeakPolarHBondContact CB-OD1 3.44Å; S865-D981 PolarHBondContact OG-OD1 3.01Å; S865-D981 PolarHBondContact OG-OD2 2.9Å
866T86.8Confident82.4Confident22 Ų2223 Ų2314%0.13514%0.142CC..Hα-helixtrans-71.9-36.6168.2-74.30000111.4K831 Y833 A840 L841 G863 K864 S869 I870K831-T866 HydrophobicContact CB-CG2 4.03Å; K831-T866 HydrophobicContact CG-CG2 3.63Å; Y833-T866 HydrophobicContact CE2-CG2 3.98Å; Y833-T866 WeakPolarHBondContact OH-CG2 3.38Å; Y833-T866 PolarHBondContact OH-OG1 3.48Å; A840-T866 HydrophobicContact CB-CG2 4.43Å; L841-T866 HydrophobicContact CD1-CG2 3.94Å; L841-T866 HydrophobicContact CG-CG2 4.12Å; G863-T866 WeakPolarHBondContact O-CA 3.39Å; G863-T866 VanDerWaalsContact O-CB 3.26Å; G863-T866 WeakPolarHBondContact O-CB 3.46Å; G863-T866 PolarHBondContact O-N 3.15Å; K864-T866 PolarHBondContact O-N 3.22Å; T866-S869 PolarHBondContact O-N 2.97Å; T866-I870 HydrophobicContact CG2-CD1 4.22Å; T866-I870 WeakPolarHBondContact O-CG1 3.44Å; T866-I870 PolarHBondContact O-N 3.04Å; T866-I870 VanDerWaalsContact O-N 3.1Å
867L89.6Confident82.1Confident0 Ų023.9 Ų23.90%015%0.148CC..Hα-helixtrans-62.1-49.7172.3-176.165.4000110.5V826 L829 L841 L844 L856 G863 K864 S869 I870 L871V826-L867 HydrophobicContact CG1-CD1 4.32Å; L829-L867 HydrophobicContact CD2-CD1 3.56Å; L841-L867 HydrophobicContact CD1-CB 4.14Å; L841-L867 HydrophobicContact CD1-CD1 4.17Å; L841-L867 HydrophobicContact CD2-CB 4.5Å; L844-L867 HydrophobicContact CD2-CD1 3.89Å; L844-L867 HydrophobicContact CD2-CD2 3.84Å; L844-L867 HydrophobicContact CD2-CG 4.47Å; L856-L867 HydrophobicContact CD1-CD2 4.08Å; L856-L867 HydrophobicContact CD2-CD2 4.41Å; G863-L867 PolarHBondContact O-N 3.48Å; K864-L867 WeakPolarHBondContact O-CB 3.14Å; K864-L867 PolarHBondContact O-N 3.05Å; L867-S869 VanDerWaalsContact C-N 3.31Å; L867-S869 PolarHBondContact O-N 3.33Å; L867-I870 PolarHBondContact O-N 3.48Å; L867-L871 HydrophobicContact CG-CD1 4.31Å; L867-L871 WeakPolarHBondContact O-CG 3.2Å; L867-L871 PolarHBondContact O-N 3.42Å
868I89.2Confident81.9Confident0 Ų026.6 Ų26.60%017%0.167CC..Hα-helixtrans-58.9-40.5174.6-70-175.9000111.6K864 I870 L871 T872 Y902 L979 D981 T1011K864-I868 PolarHBondContact O-N 2.99Å; I868-I870 PolarHBondContact O-N 3Å; I868-L871 PolarHBondContact O-N 3.06Å; I868-T872 HydrophobicContact CG2-CG2 4.13Å; I868-T872 WeakPolarHBondContact O-CB 3.25Å; I868-T872 WeakPolarHBondContact O-CG2 3.37Å; I868-T872 PolarHBondContact O-N 2.85Å; I868-T872 PolarHBondContact O-OG1 3.33Å; I868-Y902 HydrophobicContact CG2-CD2 4.26Å; I868-Y902 HydrophobicContact CG2-CE2 3.55Å; I868-L979 HydrophobicContact CG2-CB 4.46Å; I868-D981 HydrophobicContact CD1-CB 3.93Å; I868-D981 HydrophobicContact CG2-CB 4.48Å; I868-T1011 HydrophobicContact CD1-CG2 3.55Å; I868-T1011 HydrophobicContact CG1-CG2 4.28Å
869S84.6Confident81.8Confident22 Ų2231.7 Ų31.715%0.15419%0.194CC..Hα-helixtrans-64.1-25176.6-63.30000113.8S865 T866 L867 T872 I874 H875S865-S869 VanDerWaalsContact O-CB 3.3Å; S865-S869 WeakPolarHBondContact O-CB 3.42Å; S865-S869 PolarHBondContact O-N 2.7Å; S865-S869 PolarHBondContact O-OG 2.96Å; T866-S869 PolarHBondContact O-N 2.97Å; L867-S869 VanDerWaalsContact C-N 3.31Å; L867-S869 PolarHBondContact O-N 3.33Å; S869-T872 WeakPolarHBondContact CA-OG1 3.42Å; S869-T872 PolarHBondContact O-OG1 3.45Å; S869-I874 WeakPolarHBondContact O-CB 3.44Å; S869-I874 PolarHBondContact O-N 3.33Å; S869-H875 PolarHBondContact O-N 2.88Å
870I87.4Confident82.2Confident2 Ų231.2 Ų31.21%0.0120%0.201CC..Hα-helixtrans-81.5-46172.7-67.1163.1000110.4L829 K831 L841 T866 L867 I868 T872 G873 H875 P877L829-I870 HydrophobicContact CD1-CG2 4.41Å; L829-I870 HydrophobicContact CD2-CD1 4.01Å; L829-I870 HydrophobicContact CD2-CG2 4.14Å; K831-I870 HydrophobicContact CB-CD1 4.19Å; K831-I870 HydrophobicContact CG-CD1 4.31Å; L841-I870 HydrophobicContact CD1-CD1 3.87Å; T866-I870 HydrophobicContact CG2-CD1 4.22Å; T866-I870 WeakPolarHBondContact O-CG1 3.44Å; T866-I870 PolarHBondContact O-N 3.04Å; T866-I870 VanDerWaalsContact O-N 3.1Å; L867-I870 PolarHBondContact O-N 3.48Å; I868-I870 PolarHBondContact O-N 3Å; I870-T872 VanDerWaalsContact C-N 3.31Å; I870-T872 PolarHBondContact O-N 3.03Å; I870-G873 PolarHBondContact O-N 3Å; I870-H875 WeakPolarHBondContact CA-O 3.14Å; I870-H875 HydrophobicContact CG1-CB 4.18Å; I870-H875 WeakPolarHBondContact CG1-O 3.35Å; I870-P877 HydrophobicContact CD1-CB 4.34Å; I870-P877 HydrophobicContact CG2-CB 4.32Å; I870-P877 HydrophobicContact CG2-CG 4.37Å
871L87.9Confident82.8Confident0 Ų032.3 Ų32.30%021%0.206CC..Hα-helixtrans-60.6-37.3178.1-66.5174.9000112.9I824 V826 L867 I868 G873 A882 I884 I889 L979 I1009I824-L871 HydrophobicContact CG2-CD2 3.88Å; V826-L871 HydrophobicContact CG2-CD2 4.31Å; L867-L871 HydrophobicContact CG-CD1 4.31Å; L867-L871 WeakPolarHBondContact O-CG 3.2Å; L867-L871 PolarHBondContact O-N 3.42Å; I868-L871 PolarHBondContact O-N 3.06Å; L871-G873 VanDerWaalsContact C-N 3.26Å; L871-G873 PolarHBondContact O-N 3.27Å; L871-A882 HydrophobicContact CD2-CB 4.2Å; L871-I884 HydrophobicContact CB-CD1 4.4Å; L871-I884 HydrophobicContact CD2-CD1 4.29Å; L871-I884 WeakPolarHBondContact O-CD1 3.21Å; L871-I889 HydrophobicContact CD2-CD1 4.06Å; L871-L979 HydrophobicContact CB-CD1 3.8Å; L871-L979 HydrophobicContact CD1-CD2 4.31Å; L871-I1009 HydrophobicContact CD1-CD1 4.21Å
872T85.2Confident83.4Confident0 Ų029.2 Ų29.20%017%0.174CC..THydrogen-bonded Turntrans-77.1-4.4174.351.70000114.3I868 S869 I870 I874 M893 Y902 L979I868-T872 HydrophobicContact CG2-CG2 4.13Å; I868-T872 WeakPolarHBondContact O-CB 3.25Å; I868-T872 WeakPolarHBondContact O-CG2 3.37Å; I868-T872 PolarHBondContact O-N 2.85Å; I868-T872 PolarHBondContact O-OG1 3.33Å; S869-T872 WeakPolarHBondContact CA-OG1 3.42Å; S869-T872 PolarHBondContact O-OG1 3.45Å; I870-T872 VanDerWaalsContact C-N 3.31Å; I870-T872 PolarHBondContact O-N 3.03Å; T872-I874 VanDerWaalsContact C-N 3.31Å; T872-I874 PolarHBondContact O-N 3Å; T872-I874 WeakPolarHBondContact OG1-CD1 3.45Å; T872-I874 WeakPolarHBondContact OG1-CG1 3.31Å; T872-M893 VanDerWaalsContact O-CE 3.31Å; T872-M893 WeakPolarHBondContact O-CE 3.37Å; T872-Y902 HydrophobicContact CG2-CD1 3.85Å; T872-Y902 HydrophobicContact CG2-CD2 3.79Å; T872-Y902 HydrophobicContact CG2-CE1 4.05Å; T872-Y902 HydrophobicContact CG2-CE2 4.02Å; T872-Y902 HydrophobicContact CG2-CG 3.71Å; T872-L979 HydrophobicContact CG2-CD1 3.68Å
873G78.8Confident83.8Confident14 Ų1433 Ų3314%0.14419%0.192CC..THydrogen-bonded Turntrans7216.817900000115.3I870 L871I870-G873 PolarHBondContact O-N 3Å; L871-G873 VanDerWaalsContact C-N 3.26Å; L871-G873 PolarHBondContact O-N 3.27Å
874I76.4Confident84Confident26 Ų2632.9 Ų32.913%0.13319%0.19CC..SBendtrans-74.1-35.5173.5-52.1169.2000110.1I591 S869 T872 Y902I591-I874 HydrophobicContact CD1-CD1 3.54Å; I591-I874 HydrophobicContact CD1-CG1 3.58Å; I591-I874 HydrophobicContact CG1-CG1 4Å; S869-I874 WeakPolarHBondContact O-CB 3.44Å; S869-I874 PolarHBondContact O-N 3.33Å; T872-I874 VanDerWaalsContact C-N 3.31Å; T872-I874 PolarHBondContact O-N 3Å; T872-I874 WeakPolarHBondContact OG1-CD1 3.45Å; T872-I874 WeakPolarHBondContact OG1-CG1 3.31Å; I874-Y902 HydrophobicContact CD1-CE1 4.46Å
875H75.8Confident83.8Confident62 Ų6234.9 Ų34.929%0.28720%0.204SC..SBendtrans-126126.5-175.3-72.5-9.6000112Y833 S869 I870Y833-H875 PolarHBondContact OH-CD2 3.46Å; S869-H875 PolarHBondContact O-N 2.88Å; I870-H875 WeakPolarHBondContact CA-O 3.14Å; I870-H875 HydrophobicContact CG1-CB 4.18Å; I870-H875 WeakPolarHBondContact CG1-O 3.35Å
876K73.6Confident83.6Confident85 Ų8535.8 Ų35.837%0.3722%0.221SC..  trans-66.6132.8166.9164.9160.4-169.8164.50110.3Y771 K831 H890Y771-K876 HydrophobicContact CE2-CD 4.16Å; K831-K876 PolarHBondContact NZ-O 2.72Å; K876-H890 VanDerWaalsContact CD-NE2 3.28Å; K876-H890 WeakPolarHBondContact CD-NE2 3.42Å; K876-H890 VanDerWaalsContact CE-NE2 3.33Å; K876-H890 WeakPolarHBondContact CE-NE2 3.39Å
877P83.3Confident83.5Confident19 Ų1939 Ų3912%0.12323%0.231CC..  trans-64.6158.6169.728.5-34.9000111.4L829 I870L829-P877 HydrophobicContact CD1-CB 3.66Å; L829-P877 HydrophobicContact CD1-CG 4.15Å; L829-P877 HydrophobicContact CG-CB 4.33Å; I870-P877 HydrophobicContact CD1-CB 4.34Å; I870-P877 HydrophobicContact CG2-CB 4.32Å; I870-P877 HydrophobicContact CG2-CG 4.37Å
878S83.2Confident83.2Confident56 Ų5640.4 Ų40.439%0.39224%0.238SC..SBendtrans-77.9-60.4175.7-69.60000110S830 M832S830-S878 WeakPolarHBondContact O-CB 3.27Å; S830-S878 PolarHBondContact O-N 2.94Å; M832-S878 PolarHBondContact N-OG 3.05Å
879N82.1Confident82.8Confident109 Ų10941.1 Ų41.158%0.58324%0.242SC*.EExtended strand (participates in β ladder)trans-126171.7165.4-70.2-14.9000109.9S830S830-N879 PolarHBondContact N-O 3Å; S830-N879 PolarHBondContact OG-N 3.01Å
880G84Confident82.2Confident33 Ų3343.7 Ų43.734%0.3425%0.251SS..EExtended strand (participates in β ladder)trans88.9177.1177.100000114.6K827 N828K827-G880 WeakPolarHBondContact O-CA 3.32Å; N828-G880 VanDerWaalsContact O-CA 3.25Å; N828-G880 WeakPolarHBondContact O-CA 3.46Å
881L85.7Confident81.4Confident100 Ų10051 Ų5152%0.52429%0.286SS..EExtended strand (participates in β ladder)trans-130.8148.8-175.4-81.1164.4000110.9K827 N888K827-L881 PolarHBondContact N-O 3.04Å; K827-L881 PolarHBondContact O-N 3.25Å; L881-N888 WeakPolarHBondContact CD2-ND2 3.12Å
882A86.7Confident81Confident8 Ų854.1 Ų54.17%0.06630%0.3CS..EExtended strand (participates in β ladder)trans-141.5134.4170.500000109.1S825 V826 L829 L871 I889S825-A882 WeakPolarHBondContact O-CA 3.43Å; V826-A882 HydrophobicContact CG2-CB 4.23Å; L829-A882 HydrophobicContact CD1-CB 4.26Å; L871-A882 HydrophobicContact CD2-CB 4.2Å; A882-I889 HydrophobicContact CB-CD1 3.75Å; A882-I889 WeakPolarHBondContact O-CG1 3.33Å
883M87.5Confident80.6Confident81 Ų8154.9 Ų54.940%0.39930%0.304SS..EExtended strand (participates in β ladder)trans-127.9144.7-178-54.4-159.8-55.400110.5I824 S825 Y887I824-M883 WeakPolarHBondContact CA-O 3.44Å; S825-M883 PolarHBondContact N-O 2.86Å; S825-M883 VanDerWaalsContact N-O 3.14Å; S825-M883 PolarHBondContact O-N 3.32Å; M883-Y887 CarbonylContact C-O 3.6Å; M883-Y887 VanDerWaalsContact CA-O 3.31Å; M883-Y887 WeakPolarHBondContact CA-O 3.46Å
884I86.8Confident80.3Confident3 Ų358.7 Ų58.72%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-129.7120-176.6-54.4-176.5000108I824 L871 G886 Y887 I889 I896 L900 V977I824-I884 HydrophobicContact CG1-CB 4.47Å; I824-I884 HydrophobicContact CG1-CG1 4.18Å; I824-I884 HydrophobicContact CG1-CG2 4.15Å; L871-I884 HydrophobicContact CB-CD1 4.4Å; L871-I884 HydrophobicContact CD2-CD1 4.29Å; L871-I884 WeakPolarHBondContact O-CD1 3.21Å; I884-G886 PolarHBondContact O-N 3.16Å; I884-Y887 PolarHBondContact N-O 3.23Å; I884-Y887 WeakPolarHBondContact O-CB 3.38Å; I884-Y887 PolarHBondContact O-N 2.6Å; I884-I889 HydrophobicContact CD1-CD1 3.84Å; I884-I889 HydrophobicContact CD1-CG1 4Å; I884-I889 HydrophobicContact CG1-CD1 4.02Å; I884-I889 HydrophobicContact CG1-CG1 4.03Å; I884-I896 HydrophobicContact CB-CD1 4.33Å; I884-I896 HydrophobicContact CB-CG1 4.45Å; I884-I896 HydrophobicContact CB-CG2 4.17Å; I884-I896 HydrophobicContact CD1-CG2 4.02Å; I884-I896 HydrophobicContact CG2-CG2 4.11Å; I884-L900 HydrophobicContact CD1-CD1 4.48Å; I884-V977 HydrophobicContact CG2-CB 4.43Å; I884-V977 HydrophobicContact CG2-CG1 4.18Å; I884-V977 HydrophobicContact CG2-CG2 4.04Å
885C82.8Confident80.3Confident50 Ų5062 Ų6234%0.33834%0.336SS..THydrogen-bonded Turntrans49.941.7-171.6-56.60000112.7S823 Y887S823-C885 PolarHBondContact O-N 3.15Å; C885-Y887 HydrophobicContact CB-CD2 4.25Å; C885-Y887 WeakPolarHBondContact O-CD2 3.43Å; C885-Y887 WeakPolarHBondContact O-CE2 3.39Å; C885-Y887 PolarHBondContact O-N 3.01Å
886G78.7Confident80.5Confident60 Ų6059.3 Ų59.362%0.61932%0.324SS*.THydrogen-bonded Turntrans77.4-16.5-174.500000115.6I884I884-G886 PolarHBondContact O-N 3.16Å
887Y84.3Confident80.8Confident88 Ų8855.9 Ų55.935%0.34531%0.308SS..EExtended strand (participates in β ladder)trans-82.6138.2-178.4-61.9-77.6000112.5M883 I884 C885 Q892M883-Y887 CarbonylContact C-O 3.6Å; M883-Y887 VanDerWaalsContact CA-O 3.31Å; M883-Y887 WeakPolarHBondContact CA-O 3.46Å; I884-Y887 PolarHBondContact N-O 3.23Å; I884-Y887 WeakPolarHBondContact O-CB 3.38Å; I884-Y887 PolarHBondContact O-N 2.6Å; C885-Y887 HydrophobicContact CB-CD2 4.25Å; C885-Y887 WeakPolarHBondContact O-CD2 3.43Å; C885-Y887 WeakPolarHBondContact O-CE2 3.39Å; C885-Y887 PolarHBondContact O-N 3.01Å; Y887-Q892 HydrophobicContact CD1-CB 4.11Å; Y887-Q892 HydrophobicContact CD1-CG 4.32Å
888N83.5Confident80.5Confident30 Ų3059 Ų5916%0.1633%0.327CS..EExtended strand (participates in β ladder)trans-82.4123.1177.7-173.8-41.6000110.9L881 H890 Q891 Q892L881-N888 WeakPolarHBondContact CD2-ND2 3.12Å; N888-H890 PolarHBondContact O-N 2.96Å; N888-H890 VanDerWaalsContact O-N 3.12Å; N888-H890 PolarHBondContact OD1-N 3.49Å; N888-Q891 HydrophobicContact CB-CB 4.46Å; N888-Q891 PolarHBondContact O-N 3.13Å; N888-Q892 PolarHBondContact O-N 2.63Å
889I81.1Confident80.5Confident16 Ų1659.8 Ų59.88%0.08233%0.327CS..Hα-helixtrans-52.2-37.2-178.3-63174.2000112.4L871 A882 I884 M893 I896L871-I889 HydrophobicContact CD2-CD1 4.06Å; A882-I889 HydrophobicContact CB-CD1 3.75Å; A882-I889 WeakPolarHBondContact O-CG1 3.33Å; I884-I889 HydrophobicContact CD1-CD1 3.84Å; I884-I889 HydrophobicContact CD1-CG1 4Å; I884-I889 HydrophobicContact CG1-CD1 4.02Å; I884-I889 HydrophobicContact CG1-CG1 4.03Å; I889-M893 HydrophobicContact CG2-SD 3.77Å; I889-I896 HydrophobicContact CB-CD1 4.48Å; I889-I896 HydrophobicContact CG1-CD1 4.07Å
890H71.7Confident80.7Confident75 Ų7554.9 Ų54.935%0.34730%0.3SS..Hα-helixtrans-75.3-20.7-179.4-99.233.1000114.6K876 N888K876-H890 VanDerWaalsContact CD-NE2 3.28Å; K876-H890 WeakPolarHBondContact CD-NE2 3.42Å; K876-H890 VanDerWaalsContact CE-NE2 3.33Å; K876-H890 WeakPolarHBondContact CE-NE2 3.39Å; N888-H890 PolarHBondContact O-N 2.96Å; N888-H890 VanDerWaalsContact O-N 3.12Å; N888-H890 PolarHBondContact OD1-N 3.49Å
891Q71.2Confident80.9Confident157 Ų15753.3 Ų53.373%0.73429%0.285SS*.Hα-helixtrans-108.2-38.9-174.6-63.1-173.9-3.400112.9N888N888-Q891 HydrophobicContact CB-CB 4.46Å; N888-Q891 PolarHBondContact O-N 3.13Å
892Q78.5Confident81.1Confident64 Ų6449.3 Ų49.330%0.29926%0.263SS..Hα-helixtrans-124.424.3-161.7-71.9155.2-45.800113.9Y887 N888 N894 Q895 I896Y887-Q892 HydrophobicContact CD1-CB 4.11Å; Y887-Q892 HydrophobicContact CD1-CG 4.32Å; N888-Q892 PolarHBondContact O-N 2.63Å; Q892-N894 PolarHBondContact O-N 3.1Å; Q892-Q895 PolarHBondContact O-N 2.95Å; Q892-I896 PolarHBondContact O-N 3.35Å
893M77.3Confident81.2Confident17 Ų1748.9 Ų48.98%0.08426%0.259CS..Hα-helixtrans-50.9-31.3-174.2-159.667.4-161.500115.1T872 I889 Q895 I896 R897T872-M893 VanDerWaalsContact O-CE 3.31Å; T872-M893 WeakPolarHBondContact O-CE 3.37Å; I889-M893 HydrophobicContact CG2-SD 3.77Å; M893-Q895 VanDerWaalsContact C-N 3.33Å; M893-Q895 PolarHBondContact O-N 2.92Å; M893-I896 HydrophobicContact CE-CG2 4.32Å; M893-I896 PolarHBondContact O-N 3.31Å; M893-I896 HydrophobicContact SD-CD1 4.34Å; M893-R897 HydrophobicContact CE-CG 4.36Å; M893-R897 HydrophobicContact CG-CG 4.44Å; M893-R897 WeakPolarHBondContact O-CB 3.39Å; M893-R897 WeakPolarHBondContact O-CG 3.48Å; M893-R897 PolarHBondContact O-N 2.78Å
894N72Confident81.1Confident94 Ų9445.4 Ų45.450%0.50324%0.243SC..Hα-helixtrans-66.3-30.7177.1-76.327.5000113.6Q772 Q892Q772-N894 PolarHBondContact NE2-OD1 3.27Å; Q892-N894 PolarHBondContact O-N 3.1Å
895Q75.9Confident80.7Confident96 Ų9648.7 Ų48.745%0.44926%0.258SS..Hα-helixtrans-81-33.6175.9-65.8172.9-88.400111.3Q892 M893 R897 T898Q892-Q895 PolarHBondContact O-N 2.95Å; M893-Q895 VanDerWaalsContact C-N 3.33Å; M893-Q895 PolarHBondContact O-N 2.92Å; Q895-R897 VanDerWaalsContact C-N 3.31Å; Q895-R897 PolarHBondContact O-N 3.44Å; Q895-T898 PolarHBondContact O-OG1 3.05Å
896I80.7Confident80.3Confident5 Ų552.3 Ų52.33%0.02627%0.27CS..Hα-helixtrans-62.5-41.5174.3-64.5171.3000110.4I884 I889 Q892 M893 T898 N899 L900I884-I896 HydrophobicContact CB-CD1 4.33Å; I884-I896 HydrophobicContact CB-CG1 4.45Å; I884-I896 HydrophobicContact CB-CG2 4.17Å; I884-I896 HydrophobicContact CD1-CG2 4.02Å; I884-I896 HydrophobicContact CG2-CG2 4.11Å; I889-I896 HydrophobicContact CB-CD1 4.48Å; I889-I896 HydrophobicContact CG1-CD1 4.07Å; Q892-I896 PolarHBondContact O-N 3.35Å; M893-I896 HydrophobicContact CE-CG2 4.32Å; M893-I896 PolarHBondContact O-N 3.31Å; M893-I896 HydrophobicContact SD-CD1 4.34Å; I896-T898 PolarHBondContact O-N 3.3Å; I896-N899 PolarHBondContact O-N 3.42Å; I896-N899 VanDerWaalsContact O-N 3.12Å; I896-L900 HydrophobicContact CG2-CD1 4.45Å; I896-L900 WeakPolarHBondContact O-CB 3.23Å; I896-L900 PolarHBondContact O-N 3.13Å
897R80.7Confident80.4Confident13 Ų1352.1 Ų52.15%0.04926%0.255CS..Hα-helixtrans-64.5-25.9-173.9-78.7172173.8164.9-0.4116.3K590 I591 M893 Q895 N899K590-R897 PolarHBondContact O-NH1 3.33Å; K590-R897 PolarHBondContact O-NH2 3.31Å; I591-R897 WeakPolarHBondContact O-CD 3.38Å; I591-R897 WeakPolarHBondContact O-CG 3.39Å; I591-R897 PolarHBondContact O-NE 3.43Å; M893-R897 HydrophobicContact CE-CG 4.36Å; M893-R897 HydrophobicContact CG-CG 4.44Å; M893-R897 WeakPolarHBondContact O-CB 3.39Å; M893-R897 WeakPolarHBondContact O-CG 3.48Å; M893-R897 PolarHBondContact O-N 2.78Å; Q895-R897 VanDerWaalsContact C-N 3.31Å; Q895-R897 PolarHBondContact O-N 3.44Å; R897-N899 VanDerWaalsContact C-N 3.29Å
898T76.2Confident80.3Confident84 Ų8449.3 Ų49.352%0.51525%0.245SC..Hα-helixtrans-68.7-35174.5510000111.2Q895 I896Q895-T898 PolarHBondContact O-OG1 3.05Å; I896-T898 PolarHBondContact O-N 3.3Å
899N83Confident80.4Confident72 Ų7248.7 Ų48.739%0.38524%0.242SC..Hα-helixtrans-97.7-10.6-172.3-61.723.9000112.5I896 R897 A975 S976 V977I896-N899 PolarHBondContact O-N 3.42Å; I896-N899 VanDerWaalsContact O-N 3.12Å; R897-N899 VanDerWaalsContact C-N 3.29Å; N899-A975 CarbonylContact O-C 3.53Å; N899-A975 WeakPolarHBondContact O-CA 3.49Å; N899-A975 WeakPolarHBondContact O-CB 3.4Å; N899-S976 PolarHBondContact O-N 3.01Å; N899-V977 PolarHBondContact O-N 3.42Å; N899-V977 VanDerWaalsContact O-N 3.16Å
900L86.4Confident80.5Confident6 Ų648.4 Ų48.43%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-82.9140177.7-160.779.9000111.9I884 I896 K926 V977 L979I884-L900 HydrophobicContact CD1-CD1 4.48Å; I896-L900 HydrophobicContact CG2-CD1 4.45Å; I896-L900 WeakPolarHBondContact O-CB 3.23Å; I896-L900 PolarHBondContact O-N 3.13Å; L900-K926 PolarHBondContact O-NZ 3.09Å; L900-V977 CarbonylContact C-O 3.6Å; L900-V977 WeakPolarHBondContact CA-O 3.37Å; L900-V977 HydrophobicContact CD1-CB 4.36Å; L900-V977 HydrophobicContact CD1-CG1 3.86Å; L900-L979 HydrophobicContact CD1-CD1 4.16Å; L900-L979 HydrophobicContact CD1-CG 4.4Å
901G88Confident80.8Confident1 Ų149.7 Ų49.71%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-117142.3160.600000109.8A970 V977 I978 L979G901-A970 VanDerWaalsContact CA-O 3.23Å; G901-A970 WeakPolarHBondContact CA-O 3.38Å; G901-V977 PolarHBondContact N-O 3.19Å; G901-I978 WeakPolarHBondContact O-CA 3.1Å; G901-L979 PolarHBondContact O-N 3.09Å
902Y89.8Confident81.4Confident15 Ų1544.7 Ų44.76%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-141.6124.7177.5177.4-136.9000111.9F588 I591 I868 T872 I874 P904 L979 D981F588-Y902 HydrophobicContact CD2-CD1 4.25Å; F588-Y902 AromaticContact CE2-CD1 3.93Å; F588-Y902 HydrophobicContact CE2-CD1 3.93Å; I591-Y902 HydrophobicContact CD1-CD1 4.2Å; I591-Y902 HydrophobicContact CD1-CE1 4.09Å; I591-Y902 HydrophobicContact CG2-CD1 4.41Å; I868-Y902 HydrophobicContact CG2-CD2 4.26Å; I868-Y902 HydrophobicContact CG2-CE2 3.55Å; T872-Y902 HydrophobicContact CG2-CD1 3.85Å; T872-Y902 HydrophobicContact CG2-CD2 3.79Å; T872-Y902 HydrophobicContact CG2-CE1 4.05Å; T872-Y902 HydrophobicContact CG2-CE2 4.02Å; T872-Y902 HydrophobicContact CG2-CG 3.71Å; I874-Y902 HydrophobicContact CD1-CE1 4.46Å; Y902-P904 HydrophobicContact CE1-CB 3.96Å; Y902-P904 HydrophobicContact CE1-CG 4.34Å; Y902-P904 HydrophobicContact CE2-CB 4.3Å; Y902-L979 WeakPolarHBondContact CA-O 3.5Å; Y902-L979 HydrophobicContact CD2-CB 4.03Å; Y902-L979 WeakPolarHBondContact CD2-O 3.26Å; Y902-D981 HydrophobicContact CE2-CB 4.26Å
903C89.3Confident81.8Confident0 Ų041.7 Ų41.70%021%0.207CC..EExtended strand (participates in β ladder)trans-114.4106.3168.9-166.50000109R963 S966 A970 L979 L980 D981C903-R963 PolarHBondContact SG-NH1 2.81Å; C903-S966 PolarHBondContact SG-OG 3.05Å; C903-S966 VanDerWaalsContact SG-OG 3.33Å; C903-A970 HydrophobicContact CB-CB 4.16Å; C903-L979 PolarHBondContact N-O 3.04Å; C903-L980 HydrophobicContact CB-CD2 3.5Å; C903-D981 PolarHBondContact O-N 2.85Å
904P84.6Confident82.4Confident7 Ų741.2 Ų41.25%0.04521%0.205CC..  trans-71.4161.1177.624.3-30.8000112.8F588 Y902 H906 I908 R963 D981F588-P904 HydrophobicContact CD2-CG 4.35Å; F588-P904 HydrophobicContact CE2-CG 4.12Å; Y902-P904 HydrophobicContact CE1-CB 3.96Å; Y902-P904 HydrophobicContact CE1-CG 4.34Å; Y902-P904 HydrophobicContact CE2-CB 4.3Å; P904-H906 WeakPolarHBondContact CG-O 3.22Å; P904-H906 PolarHBondContact O-N 3.01Å; P904-I908 HydrophobicContact CB-CD1 4.37Å; P904-I908 HydrophobicContact CG-CB 4.47Å; P904-I908 HydrophobicContact CG-CD1 3.8Å; P904-I908 HydrophobicContact CG-CG1 3.84Å; P904-R963 PolarHBondContact O-NH1 3.09Å; P904-R963 PolarHBondContact O-NH2 3.01Å; P904-R963 VanDerWaalsContact O-NH2 3.11Å; P904-D981 CarbonylContact C-O 3.59Å
905Q79Confident83.2Confident72 Ų7236.7 Ų36.734%0.33618%0.181SC..SBendtrans-52.3-38.8176.5-175.5-17559.700113D981 E982Q905-D981 WeakPolarHBondContact CA-O 3.5Å; Q905-D981 PolarHBondContact N-O 3.19Å; Q905-E982 HydrophobicContact CB-CB 4.42Å; Q905-E982 HydrophobicContact CG-CB 4.01Å; Q905-E982 HydrophobicContact CG-CG 4.24Å; Q905-E982 PolarHBondContact NE2-OE2 3.09Å
906H75Confident83.8Confident126 Ų12633.9 Ų33.958%0.58317%0.168SC*.SBendtrans-98.5137.4177.1-22-44.5000110.3P904 I908P904-H906 WeakPolarHBondContact CG-O 3.22Å; P904-H906 PolarHBondContact O-N 3.01Å; H906-I908 PolarHBondContact O-N 3.43Å
907N80.3Confident84.3Confident57 Ų5735 Ų3531%0.30517%0.174SC..  trans-69.591.7-179.9-68.3-36.2000112.4L909 R963 S966N907-L909 VanDerWaalsContact C-N 3.28Å; N907-L909 HydrophobicContact CB-CD1 4.16Å; N907-L909 HydrophobicContact CB-CG 4.28Å; N907-L909 PolarHBondContact O-N 3.17Å; N907-R963 WeakPolarHBondContact OD1-CD 3.49Å; N907-R963 PolarHBondContact OD1-NH1 2.76Å; N907-S966 WeakPolarHBondContact OD1-CB 3.47Å
908I82.2Confident84.8Confident28 Ų2834.4 Ų34.414%0.14417%0.171CC..  trans-76.477.2176.5-51.1-177.7000110I585 F588 P904 H906I585-I908 HydrophobicContact CG1-CG2 3.8Å; F588-I908 HydrophobicContact CB-CD1 4.07Å; F588-I908 HydrophobicContact CB-CG2 3.94Å; F588-I908 HydrophobicContact CD1-CG2 4.33Å; F588-I908 HydrophobicContact CD2-CD1 4.19Å; F588-I908 HydrophobicContact CG-CB 4.35Å; F588-I908 HydrophobicContact CG-CD1 4.3Å; F588-I908 HydrophobicContact CG-CG2 4.17Å; P904-I908 HydrophobicContact CB-CD1 4.37Å; P904-I908 HydrophobicContact CG-CB 4.47Å; P904-I908 HydrophobicContact CG-CD1 3.8Å; P904-I908 HydrophobicContact CG-CG1 3.84Å; H906-I908 PolarHBondContact O-N 3.43Å
909L84.7Confident85.4Confident18 Ų1830.4 Ų30.49%0.09415%0.147CC..  trans-116.9154.8-179-58.5173.6000111.7N907 E911 V954 K962 L965 I969N907-L909 VanDerWaalsContact C-N 3.28Å; N907-L909 HydrophobicContact CB-CD1 4.16Å; N907-L909 HydrophobicContact CB-CG 4.28Å; N907-L909 PolarHBondContact O-N 3.17Å; L909-E911 PolarHBondContact O-N 3.17Å; L909-V954 HydrophobicContact CB-CG1 3.85Å; L909-V954 HydrophobicContact CD1-CG1 3.8Å; L909-V954 HydrophobicContact CG-CG1 4.48Å; L909-K962 HydrophobicContact CD1-CB 3.99Å; L909-K962 HydrophobicContact CD1-CG 4.31Å; L909-L965 HydrophobicContact CD1-CD2 4.4Å; L909-L965 HydrophobicContact CD2-CG 4.4Å; L909-I969 HydrophobicContact CD2-CD1 3.49Å; L909-I969 VanDerWaalsContact CD2-CD1 3.49Å
910F83.4Confident85.6Confident9 Ų930.6 Ų30.64%0.03914%0.144CC..  trans-87.1100.8175.5-60.9-86.4000110.5K29 L33 I585 Y912 L913 H918 F921K29-F910 HydrophobicContact CD-CD1 4.34Å; K29-F910 HydrophobicContact CD-CE1 3.62Å; K29-F910 HydrophobicContact CD-CZ 3.78Å; K29-F910 HydrophobicContact CG-CE1 4.36Å; L33-F910 HydrophobicContact CD1-CD1 4.37Å; I585-F910 HydrophobicContact CD1-CD1 4.09Å; I585-F910 HydrophobicContact CD1-CE1 4.21Å; I585-F910 HydrophobicContact CG2-CD1 4.26Å; I585-F910 HydrophobicContact CG2-CE1 3.36Å; I585-F910 HydrophobicContact CG2-CZ 3.6Å; F910-Y912 PolarHBondContact O-N 3.42Å; F910-L913 HydrophobicContact CB-CB 4.09Å; F910-L913 HydrophobicContact CB-CD1 3.52Å; F910-L913 HydrophobicContact CB-CG 4.25Å; F910-L913 HydrophobicContact CD1-CD1 4.29Å; F910-L913 HydrophobicContact CD2-CD1 3.84Å; F910-L913 HydrophobicContact CG-CD1 3.66Å; F910-L913 PolarHBondContact O-N 2.98Å; F910-H918 AromaticContact CD2-NE2 3.77Å; F910-H918 PolarHBondContact N-NE2 3.19Å; F910-H918 PolarHBondContact O-CE1 3.06Å; F910-H918 VanDerWaalsContact O-CE1 3.25Å; F910-F921 HydrophobicContact CE2-CE1 4.38Å
911E79.4Confident85.7Confident102 Ų10230.4 Ų30.448%0.47714%0.143SC..THydrogen-bonded Turntrans-46.6-32.7-172.9-59.4-169.2132.500116.2L909 V954 K955L909-E911 PolarHBondContact O-N 3.17Å; E911-V954 PolarHBondContact O-N 2.92Å; E911-K955 HydrophobicContact CB-CB 4.26Å; E911-K955 PolarHBondContact O-N 2.98Å
912Y83.3Confident85.6Confident52 Ų5230.7 Ų30.720%0.20414%0.144CC..THydrogen-bonded Turntrans-97.9-9.4-174.3-57.7-92.6000114.6L33 R36 R37 F910L33-Y912 HydrophobicContact CD2-CD2 4.47Å; R36-Y912 WeakPolarHBondContact CD-O 3.44Å; R36-Y912 PolarHBondContact NH1-O 3.43Å; R37-Y912 HydrophobicContact CG-CD1 4.42Å; R37-Y912 HydrophobicContact CG-CE1 4.01Å; R37-Y912 VanDerWaalsContact NE-CZ 3.26Å; R37-Y912 PolarHBondContact NE-OH 2.95Å; R37-Y912 VanDerWaalsContact NE-OH 3.15Å; R37-Y912 VanDerWaalsContact NH2-CE2 3.29Å; R37-Y912 PolarHBondContact NH2-OH 3.45Å; F910-Y912 PolarHBondContact O-N 3.42Å
913L87.4Confident85.5Confident2 Ų230 Ų301%0.0114%0.141CC..SBendtrans-82.8153.3171-81.5150.8000109.2W28 K29 L32 L33 F910 E917 H918 V954W28-L913 HydrophobicContact CH2-CD2 3.86Å; W28-L913 HydrophobicContact CZ3-CD2 4.01Å; K29-L913 HydrophobicContact CG-CD1 3.9Å; L32-L913 HydrophobicContact CD1-CD2 4.43Å; L32-L913 HydrophobicContact CD2-CD2 3.76Å; L32-L913 HydrophobicContact CD2-CG 4.26Å; L33-L913 HydrophobicContact CD2-CD1 4.36Å; L33-L913 HydrophobicContact CD2-CG 4.44Å; F910-L913 HydrophobicContact CB-CB 4.09Å; F910-L913 HydrophobicContact CB-CD1 3.52Å; F910-L913 HydrophobicContact CB-CG 4.25Å; F910-L913 HydrophobicContact CD1-CD1 4.29Å; F910-L913 HydrophobicContact CD2-CD1 3.84Å; F910-L913 HydrophobicContact CG-CD1 3.66Å; F910-L913 PolarHBondContact O-N 2.98Å; L913-E917 WeakPolarHBondContact CA-OE2 3.23Å; L913-E917 HydrophobicContact CB-CB 4.4Å; L913-E917 HydrophobicContact CD2-CB 3.76Å; L913-E917 HydrophobicContact CD2-CG 4.37Å; L913-E917 WeakPolarHBondContact CD2-OE2 3.34Å; L913-H918 VanDerWaalsContact CB-CE1 3.45Å; L913-H918 WeakPolarHBondContact CB-CE1 3.5Å; L913-V954 WeakPolarHBondContact O-CG2 3.37Å; L913-V954 PolarHBondContact O-N 3.25Å
914T89Confident85.3Confident6 Ų632.9 Ų32.94%0.03715%0.154CC..BIsolated β-bridgetrans-83.7170.5177.372.10000112.2E917 H918 L950 N951 D952T914-E917 PolarHBondContact N-OE2 2.95Å; T914-E917 PolarHBondContact O-N 3.15Å; T914-E917 VanDerWaalsContact OG1-CG 3.29Å; T914-E917 WeakPolarHBondContact OG1-CG 3.4Å; T914-E917 PolarHBondContact OG1-N 3.29Å; T914-E917 PolarHBondContact OG1-OE2 3.44Å; T914-H918 PolarHBondContact O-N 2.91Å; T914-H918 VanDerWaalsContact O-N 3.09Å; T914-H918 PolarHBondContact O-ND1 3.31Å; T914-L950 PolarHBondContact OG1-O 3.18Å; T914-N951 VanDerWaalsContact CG2-O 3.25Å; T914-N951 WeakPolarHBondContact CG2-O 3.36Å; T914-D952 WeakPolarHBondContact CA-O 3.48Å; T914-D952 VanDerWaalsContact CB-O 3.26Å; T914-D952 WeakPolarHBondContact CB-O 3.28Å
915V88.1Confident85.1Confident0 Ų033.4 Ų33.40%016%0.156CC..Hα-helixtrans-54.8-52.1172.2177.40000110.8E917 H918 I919 L946 K949 L950 D952 L957 L965V915-E917 VanDerWaalsContact C-N 3.27Å; V915-E917 PolarHBondContact O-N 3.11Å; V915-H918 PolarHBondContact O-N 3.41Å; V915-I919 HydrophobicContact CG1-CD1 4.32Å; V915-I919 PolarHBondContact O-N 3.3Å; V915-L946 HydrophobicContact CG1-CD1 4.47Å; V915-K949 WeakPolarHBondContact CG2-O 3.36Å; V915-L950 HydrophobicContact CG1-CD2 3.99Å; V915-D952 PolarHBondContact N-O 3.36Å; V915-L957 HydrophobicContact CG2-CD1 3.76Å; V915-L957 HydrophobicContact CG2-CD2 4.2Å; V915-L965 HydrophobicContact CG1-CD1 4.2Å; V915-L965 HydrophobicContact CG2-CD2 4.36Å
916I90Very high85.1Confident36 Ų3632.1 Ų32.119%0.18515%0.149CC..Hα-helixtrans-64.3-33.8-177.8-135.8175.3000111.9K920 V937 L950I916-K920 WeakPolarHBondContact O-CB 3.23Å; I916-K920 VanDerWaalsContact O-CG 3.25Å; I916-K920 WeakPolarHBondContact O-CG 3.34Å; I916-K920 PolarHBondContact O-N 3.18Å; I916-K920 VanDerWaalsContact O-N 3.09Å; I916-V937 HydrophobicContact CD1-CG1 3.69Å; I916-V937 HydrophobicContact CG1-CG1 3.45Å; I916-V937 VanDerWaalsContact CG1-CG1 3.45Å; I916-V937 HydrophobicContact CG1-CG2 4.44Å; I916-L950 HydrophobicContact CB-CB 4.32Å; I916-L950 WeakPolarHBondContact CB-O 3.39Å; I916-L950 HydrophobicContact CD1-CB 4.24Å; I916-L950 HydrophobicContact CD1-CD1 4.25Å; I916-L950 HydrophobicContact CG1-CB 4.43Å; I916-L950 HydrophobicContact CG1-CD2 4.45Å; I916-L950 PolarHBondContact N-O 3.03Å
917E90.8Very high85.2Confident29 Ų2928.5 Ų28.514%0.13615%0.147CC..Hα-helixtrans-71.8-33.8179.4-74.1168.7167.800112.8W28 R36 L913 T914 V915 F921W28-E917 HydrophobicContact CH2-CB 4.02Å; W28-E917 HydrophobicContact CH2-CG 4.01Å; W28-E917 HydrophobicContact CZ2-CG 4.31Å; R36-E917 IonicContact CZ-OE1 3.99Å; R36-E917 IonicContact CZ-OE2 2.76Å; R36-E917 IonicContact NH1-OE1 3.51Å; R36-E917 IonicContact NH1-OE2 3.67Å; R36-E917 PolarHBondContact NH1-OE2 3.07Å; R36-E917 IonicContact NH2-OE1 3.15Å; R36-E917 PolarHBondContact NH2-OE1 3.29Å; R36-E917 IonicContact NH2-OE2 2.84Å; R36-E917 PolarHBondContact NH2-OE2 3.14Å; L913-E917 WeakPolarHBondContact CA-OE2 3.23Å; L913-E917 HydrophobicContact CB-CB 4.4Å; L913-E917 HydrophobicContact CD2-CB 3.76Å; L913-E917 HydrophobicContact CD2-CG 4.37Å; L913-E917 WeakPolarHBondContact CD2-OE2 3.34Å; T914-E917 PolarHBondContact N-OE2 2.95Å; T914-E917 PolarHBondContact O-N 3.15Å; T914-E917 VanDerWaalsContact OG1-CG 3.29Å; T914-E917 WeakPolarHBondContact OG1-CG 3.4Å; T914-E917 PolarHBondContact OG1-N 3.29Å; T914-E917 PolarHBondContact OG1-OE2 3.44Å; V915-E917 VanDerWaalsContact C-N 3.27Å; V915-E917 PolarHBondContact O-N 3.11Å; E917-F921 VanDerWaalsContact O-CB 3.26Å; E917-F921 WeakPolarHBondContact O-CB 3.48Å; E917-F921 PolarHBondContact O-N 3.08Å
918H90.2Very high85.3Confident1 Ų128 Ų281%0.00514%0.141CC..Hα-helixtrans-64.3-50.2173.1-80.478.1000111.4F910 L913 T914 V915 K920 F921 Y922 V954 L965 I969F910-H918 AromaticContact CD2-NE2 3.77Å; F910-H918 PolarHBondContact N-NE2 3.19Å; F910-H918 PolarHBondContact O-CE1 3.06Å; F910-H918 VanDerWaalsContact O-CE1 3.25Å; L913-H918 VanDerWaalsContact CB-CE1 3.45Å; L913-H918 WeakPolarHBondContact CB-CE1 3.5Å; T914-H918 PolarHBondContact O-N 2.91Å; T914-H918 VanDerWaalsContact O-N 3.09Å; T914-H918 PolarHBondContact O-ND1 3.31Å; V915-H918 PolarHBondContact O-N 3.41Å; H918-K920 VanDerWaalsContact C-N 3.33Å; H918-K920 PolarHBondContact O-N 3.18Å; H918-F921 WeakPolarHBondContact O-CB 3.49Å; H918-F921 PolarHBondContact O-N 3.41Å; H918-F921 VanDerWaalsContact O-N 3.14Å; H918-Y922 VanDerWaalsContact O-CD2 3.31Å; H918-Y922 WeakPolarHBondContact O-CD2 3.32Å; H918-Y922 PolarHBondContact O-N 2.81Å; H918-V954 WeakPolarHBondContact CE1-CG2 3.04Å; H918-L965 HydrophobicContact CB-CD1 4.24Å; H918-L965 HydrophobicContact CB-CD2 4.36Å; H918-I969 HydrophobicContact CB-CD1 4.08Å
919I88.8Confident85.4Confident0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-60.1-46.3-179.4-59.1166.2000109.5V915 F921 Y922 A923 V937 F940 L965 V972V915-I919 HydrophobicContact CG1-CD1 4.32Å; V915-I919 PolarHBondContact O-N 3.3Å; I919-F921 VanDerWaalsContact C-N 3.32Å; I919-F921 PolarHBondContact O-N 3.2Å; I919-Y922 PolarHBondContact O-N 3.03Å; I919-A923 VanDerWaalsContact O-CB 3.26Å; I919-A923 WeakPolarHBondContact O-CB 3.31Å; I919-A923 PolarHBondContact O-N 3.01Å; I919-V937 HydrophobicContact CB-CG2 4.03Å; I919-V937 HydrophobicContact CG2-CG2 3.61Å; I919-F940 HydrophobicContact CD1-CB 4.02Å; I919-L965 HydrophobicContact CG1-CD1 4.19Å; I919-V972 HydrophobicContact CG2-CG2 4.09Å
920K88.9Confident85.3Confident75 Ų7539.7 Ų39.733%0.32620%0.196SC..Hα-helixtrans-63.2-33.2176.5-67.8-173.1179.5-167.50113.5I916 H918 K924 I933 N934 V937I916-K920 WeakPolarHBondContact O-CB 3.23Å; I916-K920 VanDerWaalsContact O-CG 3.25Å; I916-K920 WeakPolarHBondContact O-CG 3.34Å; I916-K920 PolarHBondContact O-N 3.18Å; I916-K920 VanDerWaalsContact O-N 3.09Å; H918-K920 VanDerWaalsContact C-N 3.33Å; H918-K920 PolarHBondContact O-N 3.18Å; K920-K924 VanDerWaalsContact O-CB 3.31Å; K920-K924 WeakPolarHBondContact O-CB 3.49Å; K920-K924 PolarHBondContact O-N 3.3Å; K920-I933 HydrophobicContact CB-CG2 4.09Å; K920-I933 HydrophobicContact CD-CG2 4.37Å; K920-I933 HydrophobicContact CG-CG2 3.67Å; K920-N934 PolarHBondContact NZ-OD1 3.29Å; K920-N934 VanDerWaalsContact NZ-OD1 3.13Å; K920-V937 HydrophobicContact CD-CG2 4.32Å; K920-V937 HydrophobicContact CG-CG2 3.6Å
921F88.3Confident85.4Confident2 Ų246.5 Ų46.51%0.00923%0.228CC..Hα-helixtrans-67.9-49.7176.2-179.8-91.8000111.9L25 L26 W28 K29 F594 F910 E917 H918 I919 L925L25-F921 HydrophobicContact CB-CD2 4.44Å; L25-F921 HydrophobicContact CB-CE2 4.08Å; L25-F921 HydrophobicContact CD2-CD2 3.64Å; L25-F921 HydrophobicContact CD2-CE2 4.14Å; L25-F921 HydrophobicContact CD2-CG 4.28Å; L26-F921 HydrophobicContact CD2-CZ 4.37Å; W28-F921 HydrophobicContact CZ3-CD2 4.29Å; K29-F921 HydrophobicContact CB-CE2 4.05Å; K29-F921 HydrophobicContact CD-CE2 4.47Å; K29-F921 HydrophobicContact CG-CE2 4.33Å; F594-F921 HydrophobicContact CE2-CE1 4.08Å; F594-F921 AromaticContact CE2-CZ 3.84Å; F594-F921 HydrophobicContact CE2-CZ 3.84Å; F594-F921 HydrophobicContact CZ-CE1 4.34Å; F594-F921 HydrophobicContact CZ-CE2 4.5Å; F594-F921 AromaticContact CZ-CZ 3.77Å; F594-F921 HydrophobicContact CZ-CZ 3.77Å; F910-F921 HydrophobicContact CE2-CE1 4.38Å; E917-F921 VanDerWaalsContact O-CB 3.26Å; E917-F921 WeakPolarHBondContact O-CB 3.48Å; E917-F921 PolarHBondContact O-N 3.08Å; H918-F921 WeakPolarHBondContact O-CB 3.49Å; H918-F921 PolarHBondContact O-N 3.41Å; H918-F921 VanDerWaalsContact O-N 3.14Å; I919-F921 VanDerWaalsContact C-N 3.32Å; I919-F921 PolarHBondContact O-N 3.2Å; F921-L925 HydrophobicContact CE1-CD1 4.42Å; F921-L925 WeakPolarHBondContact O-CB 3.42Å; F921-L925 PolarHBondContact O-N 3.33Å; F921-L925 VanDerWaalsContact O-N 3.13Å
922Y86.1Confident85.8Confident7 Ų746.1 Ų46.13%0.02723%0.226CC..Hα-helixtrans-77.3-33.3-176.9-71.7-73.6000113.6F588 M592 H918 I919 L925 K926 I969F588-Y922 HydrophobicContact CE1-CE1 4.1Å; F588-Y922 AromaticContact CE1-CZ 3.96Å; F588-Y922 WeakPolarHBondContact CE1-OH 3.33Å; M592-Y922 HydrophobicContact CG-CE1 4.28Å; H918-Y922 VanDerWaalsContact O-CD2 3.31Å; H918-Y922 WeakPolarHBondContact O-CD2 3.32Å; H918-Y922 PolarHBondContact O-N 2.81Å; I919-Y922 PolarHBondContact O-N 3.03Å; Y922-L925 HydrophobicContact CD1-CD1 4.03Å; Y922-L925 HydrophobicContact CE1-CD1 4.34Å; Y922-L925 WeakPolarHBondContact O-CB 3.45Å; Y922-L925 PolarHBondContact O-N 3Å; Y922-K926 PolarHBondContact O-N 3.46Å; Y922-K926 VanDerWaalsContact O-N 3.14Å; Y922-I969 HydrophobicContact CD1-CG2 4.05Å; Y922-I969 HydrophobicContact CD2-CB 4.29Å; Y922-I969 HydrophobicContact CD2-CD1 4.02Å; Y922-I969 HydrophobicContact CD2-CG1 3.82Å; Y922-I969 HydrophobicContact CD2-CG2 3.5Å; Y922-I969 HydrophobicContact CE1-CG2 4.25Å; Y922-I969 HydrophobicContact CE2-CD1 3.93Å; Y922-I969 HydrophobicContact CE2-CG1 4.22Å; Y922-I969 HydrophobicContact CE2-CG2 3.72Å; Y922-I969 HydrophobicContact CG-CG2 3.69Å
923A86.5Confident85.9Confident0 Ų044.3 Ų44.30%022%0.22CC..Hα-helixtrans-64.4-43.5173.400000111.5I919 L925 K926 F928 I933 V972I919-A923 VanDerWaalsContact O-CB 3.26Å; I919-A923 WeakPolarHBondContact O-CB 3.31Å; I919-A923 PolarHBondContact O-N 3.01Å; A923-L925 VanDerWaalsContact C-N 3.29Å; A923-L925 PolarHBondContact O-N 3.37Å; A923-K926 PolarHBondContact O-N 3.42Å; A923-F928 WeakPolarHBondContact O-CB 3.26Å; A923-F928 PolarHBondContact O-N 3.5Å; A923-I933 HydrophobicContact CB-CG1 3.93Å; A923-V972 HydrophobicContact CB-CG1 3.91Å
924K85.4Confident85.9Confident62 Ų6247.6 Ų47.627%0.2724%0.238SC..Hα-helixtrans-68.4-26.7175.6-162.9-176.5175.9-159.90112.8I21 L25 K920 G927 I933I21-K924 HydrophobicContact CG2-CG 4.38Å; L25-K924 HydrophobicContact CD1-CB 4.05Å; L25-K924 HydrophobicContact CD1-CD 4.17Å; L25-K924 HydrophobicContact CD1-CG 4.05Å; L25-K924 HydrophobicContact CD2-CB 4.23Å; L25-K924 HydrophobicContact CD2-CD 4.02Å; L25-K924 HydrophobicContact CG-CD 4.06Å; L25-K924 HydrophobicContact CG-CG 4.48Å; K920-K924 VanDerWaalsContact O-CB 3.31Å; K920-K924 WeakPolarHBondContact O-CB 3.49Å; K920-K924 PolarHBondContact O-N 3.3Å; K924-G927 PolarHBondContact O-N 3.16Å; K924-I933 HydrophobicContact CB-CD1 3.67Å; K924-I933 HydrophobicContact CG-CD1 3.95Å
925L80Confident85.8Confident18 Ų1852.6 Ų52.69%0.09426%0.264CS..Hα-helixtrans-65.6-42.6172.6-173.4168.6000110.9M592 F594 F921 Y922 A923 G927M592-L925 HydrophobicContact CB-CD1 4Å; M592-L925 HydrophobicContact CB-CD2 4.22Å; M592-L925 WeakPolarHBondContact O-CD2 3.33Å; F594-L925 HydrophobicContact CD2-CD1 3.93Å; F594-L925 HydrophobicContact CE2-CD1 3.27Å; F594-L925 HydrophobicContact CE2-CG 4.11Å; F594-L925 HydrophobicContact CZ-CD1 3.84Å; F594-L925 HydrophobicContact CZ-CG 4.28Å; F921-L925 HydrophobicContact CE1-CD1 4.42Å; F921-L925 WeakPolarHBondContact O-CB 3.42Å; F921-L925 PolarHBondContact O-N 3.33Å; F921-L925 VanDerWaalsContact O-N 3.13Å; Y922-L925 HydrophobicContact CD1-CD1 4.03Å; Y922-L925 HydrophobicContact CE1-CD1 4.34Å; Y922-L925 WeakPolarHBondContact O-CB 3.45Å; Y922-L925 PolarHBondContact O-N 3Å; A923-L925 VanDerWaalsContact C-N 3.29Å; A923-L925 PolarHBondContact O-N 3.37Å; L925-G927 PolarHBondContact O-N 2.92Å; L925-G927 VanDerWaalsContact O-N 3.09Å
926K78.6Confident85.7Confident44 Ų4453.6 Ų53.619%0.19127%0.269CS..THydrogen-bonded Turntrans-73.712.3172.2-71.7-172.6172.1-175.30114.5L900 Y922 A923 F928 V972L900-K926 PolarHBondContact O-NZ 3.09Å; Y922-K926 PolarHBondContact O-N 3.46Å; Y922-K926 VanDerWaalsContact O-N 3.14Å; A923-K926 PolarHBondContact O-N 3.42Å; K926-F928 HydrophobicContact CB-CD2 4.39Å; K926-V972 VanDerWaalsContact CD-O 3.29Å; K926-V972 WeakPolarHBondContact CD-O 3.15Å; K926-V972 WeakPolarHBondContact CE-O 3.29Å; K926-V972 PolarHBondContact NZ-O 3.17Å
927G77.6Confident85.4Confident51 Ų5152 Ų5253%0.52626%0.261SS..THydrogen-bonded Turntrans80.91017200000115.8K924 L925K924-G927 PolarHBondContact O-N 3.16Å; L925-G927 PolarHBondContact O-N 2.92Å; L925-G927 VanDerWaalsContact O-N 3.09Å
928F82.6Confident85.2Confident45 Ų4555.2 Ų55.220%0.19728%0.279CS..  trans-67.3143.7-177.3-81.7-140.7000112A923 K926 Q932 I933 E936 G973A923-F928 WeakPolarHBondContact O-CB 3.26Å; A923-F928 PolarHBondContact O-N 3.5Å; K926-F928 HydrophobicContact CB-CD2 4.39Å; F928-Q932 HydrophobicContact CB-CB 4.17Å; F928-Q932 HydrophobicContact CD1-CB 3.8Å; F928-Q932 HydrophobicContact CG-CB 4.34Å; F928-I933 HydrophobicContact CB-CG1 3.87Å; F928-I933 WeakPolarHBondContact O-CD1 3.4Å; F928-E936 HydrophobicContact CD1-CG 4.08Å; F928-E936 HydrophobicContact CE1-CG 3.99Å; F928-G973 VanDerWaalsContact CZ-CA 3.44Å
929N84.4Confident85.1Confident112 Ų11260.6 Ų60.660%0.59930%0.3SS*.  trans-72.7161.8176.1-80.4-29.9000112.1E931 Q932 I933N929-E931 VanDerWaalsContact C-N 3.25Å; N929-E931 PolarHBondContact O-N 2.94Å; N929-E931 VanDerWaalsContact O-N 3.16Å; N929-Q932 HydrophobicContact CB-CG 4.41Å; N929-Q932 WeakPolarHBondContact O-CB 3.26Å; N929-Q932 PolarHBondContact O-N 3.33Å; N929-Q932 VanDerWaalsContact O-N 3.1Å; N929-I933 VanDerWaalsContact O-CG1 3.32Å; N929-I933 WeakPolarHBondContact O-CG1 3.24Å; N929-I933 PolarHBondContact O-N 3.16Å
930K82Confident84.9Confident180 Ų18060.7 Ų60.778%0.78330%0.3SS*.Hα-helixtrans-57.9-34.1-171.3-151.4-178-176.1-170.80113.9N934K930-N934 PolarHBondContact O-N 3.48Å
931E86.4Confident84.5Confident153 Ų15357.5 Ų57.572%0.71529%0.287SS*.Hα-helixtrans-74.2-49.7175-69.7156.4-172.900111.4N929 I933 N934 N935N929-E931 VanDerWaalsContact C-N 3.25Å; N929-E931 PolarHBondContact O-N 2.94Å; N929-E931 VanDerWaalsContact O-N 3.16Å; E931-I933 PolarHBondContact O-N 3.1Å; E931-N934 WeakPolarHBondContact O-CA 3.38Å; E931-N934 PolarHBondContact O-N 3.48Å; E931-N935 PolarHBondContact O-N 3.23Å; E931-N935 PolarHBondContact O-OD1 3.01Å
932Q87Confident84.1Confident93 Ų9362.5 Ų62.544%0.43531%0.314SS..Hα-helixtrans-55.6-38.3175.2-63.2172.9-42.800111.8F928 N929 N935 E936F928-Q932 HydrophobicContact CB-CB 4.17Å; F928-Q932 HydrophobicContact CD1-CB 3.8Å; F928-Q932 HydrophobicContact CG-CB 4.34Å; N929-Q932 HydrophobicContact CB-CG 4.41Å; N929-Q932 WeakPolarHBondContact O-CB 3.26Å; N929-Q932 PolarHBondContact O-N 3.33Å; N929-Q932 VanDerWaalsContact O-N 3.1Å; Q932-N935 PolarHBondContact O-N 3.34Å; Q932-E936 PolarHBondContact O-N 3.46Å
933I85.3Confident83.9Confident15 Ų1564.2 Ų64.28%0.07732%0.323CS..Hα-helixtrans-63.2-40.8174.2-70.4164.3000111.8K920 A923 K924 F928 N929 E931 V937K920-I933 HydrophobicContact CB-CG2 4.09Å; K920-I933 HydrophobicContact CD-CG2 4.37Å; K920-I933 HydrophobicContact CG-CG2 3.67Å; A923-I933 HydrophobicContact CB-CG1 3.93Å; K924-I933 HydrophobicContact CB-CD1 3.67Å; K924-I933 HydrophobicContact CG-CD1 3.95Å; F928-I933 HydrophobicContact CB-CG1 3.87Å; F928-I933 WeakPolarHBondContact O-CD1 3.4Å; N929-I933 VanDerWaalsContact O-CG1 3.32Å; N929-I933 WeakPolarHBondContact O-CG1 3.24Å; N929-I933 PolarHBondContact O-N 3.16Å; E931-I933 PolarHBondContact O-N 3.1Å; I933-V937 WeakPolarHBondContact O-CB 3.32Å; I933-V937 WeakPolarHBondContact O-CG2 3.39Å; I933-V937 PolarHBondContact O-N 3.4Å
934N87.3Confident83.3Confident71 Ų7164.3 Ų64.338%0.3832%0.324SS..Hα-helixtrans-69.8-36.5176.1-76.7-18000111.2K920 K930 E931 V937 N938K920-N934 PolarHBondContact NZ-OD1 3.29Å; K920-N934 VanDerWaalsContact NZ-OD1 3.13Å; K930-N934 PolarHBondContact O-N 3.48Å; E931-N934 WeakPolarHBondContact O-CA 3.38Å; E931-N934 PolarHBondContact O-N 3.48Å; N934-V937 PolarHBondContact O-N 3.31Å; N934-N938 PolarHBondContact O-N 3.44Å; N934-N938 PolarHBondContact O-OD1 3.11Å
935N87.5Confident82.8Confident110 Ų11066.7 Ų66.759%0.58834%0.34SS*.Hα-helixtrans-66.1-45.3175.7-65.80.9000111.5E931 Q932 V937 N938 Y939E931-N935 PolarHBondContact O-N 3.23Å; E931-N935 PolarHBondContact O-OD1 3.01Å; Q932-N935 PolarHBondContact O-N 3.34Å; N935-V937 VanDerWaalsContact C-N 3.31Å; N935-V937 PolarHBondContact O-N 2.87Å; N935-N938 PolarHBondContact O-N 2.78Å; N935-Y939 VanDerWaalsContact O-CB 3.28Å; N935-Y939 WeakPolarHBondContact O-CB 3.3Å; N935-Y939 PolarHBondContact O-N 3.44Å
936E85.7Confident82.5Confident22 Ų2266.1 Ų66.110%0.10334%0.337CS..Hα-helixtrans-60.1-39.7171.7-78.3-121.414400111.9F928 Q932 Y939 F940 V972 G973F928-E936 HydrophobicContact CD1-CG 4.08Å; F928-E936 HydrophobicContact CE1-CG 3.99Å; Q932-E936 PolarHBondContact O-N 3.46Å; E936-Y939 PolarHBondContact O-N 3.19Å; E936-F940 HydrophobicContact CB-CD2 4.48Å; E936-F940 WeakPolarHBondContact O-CB 3.29Å; E936-F940 VanDerWaalsContact O-CD2 3.27Å; E936-F940 WeakPolarHBondContact O-CD2 3.26Å; E936-F940 PolarHBondContact O-N 2.76Å; E936-V972 WeakPolarHBondContact OE2-CA 3.32Å; E936-G973 PolarHBondContact OE1-N 3.47Å; E936-G973 PolarHBondContact OE2-N 3.48Å
937V84.7Confident82.4Confident2 Ų267.3 Ų67.31%0.01235%0.348CS..Hα-helixtrans-63.5-43.6176.5160.40000112.2I916 I919 K920 I933 N934 N935 S941I916-V937 HydrophobicContact CD1-CG1 3.69Å; I916-V937 HydrophobicContact CG1-CG1 3.45Å; I916-V937 VanDerWaalsContact CG1-CG1 3.45Å; I916-V937 HydrophobicContact CG1-CG2 4.44Å; I919-V937 HydrophobicContact CB-CG2 4.03Å; I919-V937 HydrophobicContact CG2-CG2 3.61Å; K920-V937 HydrophobicContact CD-CG2 4.32Å; K920-V937 HydrophobicContact CG-CG2 3.6Å; I933-V937 WeakPolarHBondContact O-CB 3.32Å; I933-V937 WeakPolarHBondContact O-CG2 3.39Å; I933-V937 PolarHBondContact O-N 3.4Å; N934-V937 PolarHBondContact O-N 3.31Å; N935-V937 VanDerWaalsContact C-N 3.31Å; N935-V937 PolarHBondContact O-N 2.87Å; V937-S941 WeakPolarHBondContact O-CB 3.4Å; V937-S941 PolarHBondContact O-N 3.28Å
938N86Confident82.4Confident97 Ų9770.7 Ų70.752%0.51935%0.354SS..Hα-helixtrans-69.4-38.2177.4-68.7-0.6000111.2N934 N935 S941 N942N934-N938 PolarHBondContact O-N 3.44Å; N934-N938 PolarHBondContact O-OD1 3.11Å; N935-N938 PolarHBondContact O-N 2.78Å; N938-S941 WeakPolarHBondContact O-CB 3.39Å; N938-N942 PolarHBondContact O-N 2.85Å; N938-N942 PolarHBondContact O-OD1 3.12Å
939Y87.5Confident82.2Confident114 Ų11471.5 Ų71.545%0.44736%0.357SS..Hα-helixtrans-60.4-55.9174.4-179.8-101.2000111.6N935 E936 S941 N942 L943 M1002N935-Y939 VanDerWaalsContact O-CB 3.28Å; N935-Y939 WeakPolarHBondContact O-CB 3.3Å; N935-Y939 PolarHBondContact O-N 3.44Å; E936-Y939 PolarHBondContact O-N 3.19Å; Y939-S941 PolarHBondContact O-N 3.45Å; Y939-N942 PolarHBondContact O-N 3.31Å; Y939-L943 HydrophobicContact CE1-CD2 3.93Å; Y939-L943 VanDerWaalsContact O-CB 3.31Å; Y939-L943 WeakPolarHBondContact O-CB 3.36Å; Y939-L943 PolarHBondContact O-N 2.93Å; Y939-M1002 HydrophobicContact CE1-CE 4.13Å; Y939-M1002 HydrophobicContact CE1-SD 4.01Å; Y939-M1002 PolarHBondContact OH-SD 3.29Å
940F85.2Confident82.1Confident1 Ų167.4 Ų67.40%0.00434%0.335CS..Hα-helixtrans-69.4-30.7178.9-77-69000113.1I919 E936 N942 L943 L944 A968 F971 V972 M1002I919-F940 HydrophobicContact CD1-CB 4.02Å; E936-F940 HydrophobicContact CB-CD2 4.48Å; E936-F940 WeakPolarHBondContact O-CB 3.29Å; E936-F940 VanDerWaalsContact O-CD2 3.27Å; E936-F940 WeakPolarHBondContact O-CD2 3.26Å; E936-F940 PolarHBondContact O-N 2.76Å; F940-N942 VanDerWaalsContact C-N 3.29Å; F940-N942 PolarHBondContact O-N 3.43Å; F940-L943 HydrophobicContact CD1-CD2 4.07Å; F940-L943 HydrophobicContact CE1-CD2 4.1Å; F940-L943 PolarHBondContact O-N 3.29Å; F940-L944 HydrophobicContact CB-CD1 4.13Å; F940-L944 VanDerWaalsContact O-CB 3.23Å; F940-L944 WeakPolarHBondContact O-CB 3.4Å; F940-L944 VanDerWaalsContact O-CD1 3.23Å; F940-L944 WeakPolarHBondContact O-CD1 3.28Å; F940-L944 WeakPolarHBondContact O-CG 3.45Å; F940-L944 PolarHBondContact O-N 3.45Å; F940-A968 HydrophobicContact CD1-CB 3.84Å; F940-A968 HydrophobicContact CE1-CB 4.16Å; F940-A968 HydrophobicContact CG-CB 4.44Å; F940-F971 HydrophobicContact CE1-CB 4.15Å; F940-F971 HydrophobicContact CZ-CB 3.96Å; F940-V972 HydrophobicContact CD2-CG2 3.8Å; F940-V972 HydrophobicContact CE2-CB 4.31Å; F940-V972 HydrophobicContact CE2-CG2 3.5Å; F940-V972 VanDerWaalsContact CE2-CG2 3.5Å; F940-V972 HydrophobicContact CZ-CG2 4.09Å; F940-M1002 HydrophobicContact CE1-CE 3.87Å; F940-M1002 HydrophobicContact CZ-CE 3.84Å
941S79.9Confident82.2Confident8 Ų865.2 Ų65.26%0.05633%0.332CS..Hα-helixtrans-50.4-52170.3159.80000111.4V937 N938 Y939 L946 T947V937-S941 WeakPolarHBondContact O-CB 3.4Å; V937-S941 PolarHBondContact O-N 3.28Å; N938-S941 WeakPolarHBondContact O-CB 3.39Å; Y939-S941 PolarHBondContact O-N 3.45Å; S941-L946 PolarHBondContact O-N 3.19Å; S941-T947 WeakPolarHBondContact OG-CG2 3.46Å
942N81.1Confident82Confident107 Ų10760.9 Ų60.957%0.57231%0.314SS*.Hα-helixtrans-80.7-35.9-173.9-62.19.9000111N938 Y939 F940 L944 N945N938-N942 PolarHBondContact O-N 2.85Å; N938-N942 PolarHBondContact O-OD1 3.12Å; Y939-N942 PolarHBondContact O-N 3.31Å; F940-N942 VanDerWaalsContact C-N 3.29Å; F940-N942 PolarHBondContact O-N 3.43Å; N942-L944 VanDerWaalsContact C-N 3.31Å; N942-L944 PolarHBondContact O-N 3.39Å; N942-N945 PolarHBondContact O-OD1 3.33Å
943L81.5Confident81.9Confident43 Ų4359.1 Ų59.123%0.22531%0.306CS..Hα-helixtrans-65.8-30.2176.9-167.672.9000113.2Y939 F940 L998 M1002Y939-L943 HydrophobicContact CE1-CD2 3.93Å; Y939-L943 VanDerWaalsContact O-CB 3.31Å; Y939-L943 WeakPolarHBondContact O-CB 3.36Å; Y939-L943 PolarHBondContact O-N 2.93Å; F940-L943 HydrophobicContact CD1-CD2 4.07Å; F940-L943 HydrophobicContact CE1-CD2 4.1Å; F940-L943 PolarHBondContact O-N 3.29Å; L943-L998 HydrophobicContact CD2-CD1 4.21Å; L943-L998 HydrophobicContact CD2-CD2 4.38Å; L943-L998 HydrophobicContact CD2-CG 4.01Å; L943-L998 HydrophobicContact CG-CD1 3.97Å; L943-L998 HydrophobicContact CG-CG 4.05Å; L943-M1002 HydrophobicContact CD2-CE 4.39Å; L943-M1002 HydrophobicContact CD2-CG 4.15Å; L943-M1002 HydrophobicContact CD2-SD 3.9Å
944L74.1Confident81.8Confident3 Ų358.6 Ų58.62%0.01630%0.303CS..THydrogen-bonded Turntrans-91.4-9.9-175-65.9166.2000114.5F940 N942 L946 K964 A968 L998F940-L944 HydrophobicContact CB-CD1 4.13Å; F940-L944 VanDerWaalsContact O-CB 3.23Å; F940-L944 WeakPolarHBondContact O-CB 3.4Å; F940-L944 VanDerWaalsContact O-CD1 3.23Å; F940-L944 WeakPolarHBondContact O-CD1 3.28Å; F940-L944 WeakPolarHBondContact O-CG 3.45Å; F940-L944 PolarHBondContact O-N 3.45Å; N942-L944 VanDerWaalsContact C-N 3.31Å; N942-L944 PolarHBondContact O-N 3.39Å; L944-L946 VanDerWaalsContact C-N 3.3Å; L944-L946 HydrophobicContact CB-CB 4.13Å; L944-L946 HydrophobicContact CB-CD1 3.98Å; L944-L946 HydrophobicContact CB-CG 4Å; L944-L946 HydrophobicContact CD1-CD1 4.33Å; L944-L946 PolarHBondContact O-N 3.27Å; L944-K964 HydrophobicContact CD2-CB 3.92Å; L944-K964 WeakPolarHBondContact CD2-O 3.48Å; L944-A968 HydrophobicContact CD1-CB 3.79Å; L944-A968 HydrophobicContact CD2-CB 4.01Å; L944-A968 HydrophobicContact CG-CB 4.41Å; L944-L998 HydrophobicContact CD2-CD1 3.56Å; L944-L998 HydrophobicContact CG-CD1 4.4Å
945N75.5Confident81.3Confident112 Ų11260.8 Ų60.860%0.59931%0.309SS*.THydrogen-bonded Turntrans47.749.9-163.3-67.614.3000112.1N942N942-N945 PolarHBondContact O-OD1 3.33Å
946L73Confident80.8Confident6 Ų659 Ų593%0.03130%0.302CS..  trans-120.814.2-179.5-74.6179000114.1V915 S941 L944 N948 K949 L950 Q961V915-L946 HydrophobicContact CG1-CD1 4.47Å; S941-L946 PolarHBondContact O-N 3.19Å; L944-L946 VanDerWaalsContact C-N 3.3Å; L944-L946 HydrophobicContact CB-CB 4.13Å; L944-L946 HydrophobicContact CB-CD1 3.98Å; L944-L946 HydrophobicContact CB-CG 4Å; L944-L946 HydrophobicContact CD1-CD1 4.33Å; L944-L946 PolarHBondContact O-N 3.27Å; L946-N948 PolarHBondContact O-N 2.88Å; L946-K949 HydrophobicContact CD2-CB 4.35Å; L946-K949 CarbonylContact O-C 3.55Å; L946-K949 WeakPolarHBondContact O-CA 3.43Å; L946-K949 PolarHBondContact O-N 2.97Å; L946-L950 PolarHBondContact O-N 3.34Å; L946-L950 VanDerWaalsContact O-N 3.1Å; L946-Q961 HydrophobicContact CD2-CB 4.41Å; L946-Q961 HydrophobicContact CD2-CG 4.02Å
947T75.5Confident80.5Confident69 Ų6958.1 Ų58.142%0.42330%0.298SS..G310 helixtrans-40.4-58.7175.947.60000112.8S941 K949 L950S941-T947 WeakPolarHBondContact OG-CG2 3.46Å; T947-K949 PolarHBondContact O-N 2.99Å; T947-L950 WeakPolarHBondContact O-CG 3.22Å; T947-L950 PolarHBondContact O-N 2.92Å
948N77.6Confident79.9Confident122 Ų12260.5 Ų60.565%0.65232%0.315SS*.G310 helixtrans-69.4-3.6-177.1-63.1-7.1000113.7L946L946-N948 PolarHBondContact O-N 2.88Å
949K79.8Confident79.3Confident62 Ų6258.1 Ų58.127%0.2731%0.313SS..G310 helixtrans-123.99.5179.6-68.3-156.4176.7-167.80114.4V915 L946 T947 N951 D952 L957V915-K949 WeakPolarHBondContact CG2-O 3.36Å; L946-K949 HydrophobicContact CD2-CB 4.35Å; L946-K949 CarbonylContact O-C 3.55Å; L946-K949 WeakPolarHBondContact O-CA 3.43Å; L946-K949 PolarHBondContact O-N 2.97Å; T947-K949 PolarHBondContact O-N 2.99Å; K949-N951 PolarHBondContact O-N 3.48Å; K949-N951 VanDerWaalsContact O-N 3.13Å; K949-D952 HydrophobicContact CB-CB 4.14Å; K949-D952 WeakPolarHBondContact O-CB 3.16Å; K949-D952 PolarHBondContact O-N 3.17Å; K949-L957 HydrophobicContact CB-CD2 4.34Å; K949-L957 HydrophobicContact CD-CD2 3.74Å
950L81.4Confident78.8Confident25 Ų2552.8 Ų52.813%0.13129%0.293CS..THydrogen-bonded Turntrans-56.9-32.7179.5-69.7176.5000113.3T914 V915 I916 L946 T947T914-L950 PolarHBondContact OG1-O 3.18Å; V915-L950 HydrophobicContact CG1-CD2 3.99Å; I916-L950 HydrophobicContact CB-CB 4.32Å; I916-L950 WeakPolarHBondContact CB-O 3.39Å; I916-L950 HydrophobicContact CD1-CB 4.24Å; I916-L950 HydrophobicContact CD1-CD1 4.25Å; I916-L950 HydrophobicContact CG1-CB 4.43Å; I916-L950 HydrophobicContact CG1-CD2 4.45Å; I916-L950 PolarHBondContact N-O 3.03Å; L946-L950 PolarHBondContact O-N 3.34Å; L946-L950 VanDerWaalsContact O-N 3.1Å; T947-L950 WeakPolarHBondContact O-CG 3.22Å; T947-L950 PolarHBondContact O-N 2.92Å
951N84.7Confident78.7Confident135 Ų13555 Ų5572%0.72230%0.303SS*.THydrogen-bonded Turntrans-92.8-4.2179.6-64.8-35.3000114.1T914 K949T914-N951 VanDerWaalsContact CG2-O 3.25Å; T914-N951 WeakPolarHBondContact CG2-O 3.36Å; K949-N951 PolarHBondContact O-N 3.48Å; K949-N951 VanDerWaalsContact O-N 3.13Å
952D81.6Confident78.9Confident62 Ų6257.4 Ų57.433%0.33231%0.313SS..SBendtrans-74142178.4-117.622.7000110.6T914 V915 K949 T956T914-D952 WeakPolarHBondContact CA-O 3.48Å; T914-D952 VanDerWaalsContact CB-O 3.26Å; T914-D952 WeakPolarHBondContact CB-O 3.28Å; V915-D952 PolarHBondContact N-O 3.36Å; K949-D952 HydrophobicContact CB-CB 4.14Å; K949-D952 WeakPolarHBondContact O-CB 3.16Å; K949-D952 PolarHBondContact O-N 3.17Å; D952-T956 PolarHBondContact OD2-OG1 3.29Å
953Q84.2Confident79.2Confident56 Ų5652.5 Ų52.526%0.26229%0.286SS..BIsolated β-bridgetrans-71.8139.5174.1-68.8178.67.200110.1K955 T956Q953-K955 PolarHBondContact O-N 3.35Å; Q953-T956 PolarHBondContact O-N 2.93Å; Q953-T956 PolarHBondContact O-OG1 3.35Å
954V85.2Confident79.4Confident4 Ų451.7 Ų51.72%0.02428%0.281CS..G310 helixtrans-52.5-31.5-176.7164.90000113.4L909 E911 L913 H918 T956 L957 K962 L965L909-V954 HydrophobicContact CB-CG1 3.85Å; L909-V954 HydrophobicContact CD1-CG1 3.8Å; L909-V954 HydrophobicContact CG-CG1 4.48Å; E911-V954 PolarHBondContact O-N 2.92Å; L913-V954 WeakPolarHBondContact O-CG2 3.37Å; L913-V954 PolarHBondContact O-N 3.25Å; H918-V954 WeakPolarHBondContact CE1-CG2 3.04Å; V954-T956 PolarHBondContact O-N 2.92Å; V954-L957 HydrophobicContact CB-CD1 4.38Å; V954-L957 HydrophobicContact CG1-CD1 4.49Å; V954-L957 HydrophobicContact CG2-CD1 4.05Å; V954-L957 WeakPolarHBondContact O-CB 3.43Å; V954-L957 PolarHBondContact O-N 3.25Å; V954-K962 HydrophobicContact CG1-CG 4.24Å; V954-K962 WeakPolarHBondContact O-CE 3.44Å; V954-L965 HydrophobicContact CG2-CD2 3.54Å
955K76.2Confident80.2Confident117 Ų11751.6 Ų51.651%0.50928%0.28SS..G310 helixtrans-55.7-34.5176.790.1178-168.2-179.40114.1E911 Q953 K962E911-K955 HydrophobicContact CB-CB 4.26Å; E911-K955 PolarHBondContact O-N 2.98Å; Q953-K955 PolarHBondContact O-N 3.35Å; K955-K962 PolarHBondContact O-NZ 3.32Å
956T77.1Confident80.8Confident71 Ų7146.4 Ų46.444%0.43625%0.253SS..G310 helixtrans-82.2-10-176.460.20000113.9D952 Q953 V954D952-T956 PolarHBondContact OD2-OG1 3.29Å; Q953-T956 PolarHBondContact O-N 2.93Å; Q953-T956 PolarHBondContact O-OG1 3.35Å; V954-T956 PolarHBondContact O-N 2.92Å
957L78.2Confident81.6Confident5 Ų546.2 Ų46.23%0.02625%0.252CS..SBendtrans-71146.1174.8-58.3178.3000111.5V915 K949 V954 Q961 K962 L965V915-L957 HydrophobicContact CG2-CD1 3.76Å; V915-L957 HydrophobicContact CG2-CD2 4.2Å; K949-L957 HydrophobicContact CB-CD2 4.34Å; K949-L957 HydrophobicContact CD-CD2 3.74Å; V954-L957 HydrophobicContact CB-CD1 4.38Å; V954-L957 HydrophobicContact CG1-CD1 4.49Å; V954-L957 HydrophobicContact CG2-CD1 4.05Å; V954-L957 WeakPolarHBondContact O-CB 3.43Å; V954-L957 PolarHBondContact O-N 3.25Å; L957-Q961 HydrophobicContact CB-CB 3.93Å; L957-Q961 HydrophobicContact CD2-CB 4.34Å; L957-K962 HydrophobicContact CB-CG 3.79Å; L957-K962 WeakPolarHBondContact O-CE 3.32Å; L957-K962 PolarHBondContact O-NZ 2.84Å; L957-L965 HydrophobicContact CD1-CD2 4.26Å
958S73Confident82.2Confident52 Ų5243 Ų4336%0.36423%0.232SC..  trans-67.8170.2171.3710000111.9G960 Q961 K962S958-G960 PolarHBondContact O-N 3.47Å; S958-Q961 PolarHBondContact O-N 2.9Å; S958-Q961 WeakPolarHBondContact OG-CB 3.45Å; S958-Q961 WeakPolarHBondContact OG-CG 3.21Å; S958-Q961 PolarHBondContact OG-N 3.21Å; S958-K962 WeakPolarHBondContact O-CG 3.5Å; S958-K962 PolarHBondContact O-N 2.78Å
959G73.2Confident82.7Confident46 Ų4637.4 Ų37.447%0.47420%0.202SC..Hα-helixtrans-54.7-52.4176.100000112.6Q961 K962 R963G959-Q961 PolarHBondContact O-N 3.35Å; G959-K962 WeakPolarHBondContact O-CB 3.32Å; G959-K962 PolarHBondContact O-N 3.31Å; G959-R963 PolarHBondContact O-N 2.87Å
960G76.6Confident83.1Confident2 Ų234.5 Ų34.52%0.02119%0.189CC..Hα-helixtrans-60.2-40.8174.900000113.7S958 R963 K964S958-G960 PolarHBondContact O-N 3.47Å; G960-R963 WeakPolarHBondContact O-CB 3.3Å; G960-R963 PolarHBondContact O-N 3.22Å; G960-R963 VanDerWaalsContact O-N 3.12Å; G960-K964 PolarHBondContact O-N 2.59Å
961Q83.2Confident83.5Confident49 Ų4933.3 Ų33.323%0.22918%0.183CC..Hα-helixtrans-67.3-37.4177.4-71.2179.3-20.800112.6L946 L957 S958 G959 R963 L965L946-Q961 HydrophobicContact CD2-CB 4.41Å; L946-Q961 HydrophobicContact CD2-CG 4.02Å; L957-Q961 HydrophobicContact CB-CB 3.93Å; L957-Q961 HydrophobicContact CD2-CB 4.34Å; S958-Q961 PolarHBondContact O-N 2.9Å; S958-Q961 WeakPolarHBondContact OG-CB 3.45Å; S958-Q961 WeakPolarHBondContact OG-CG 3.21Å; S958-Q961 PolarHBondContact OG-N 3.21Å; G959-Q961 PolarHBondContact O-N 3.35Å; Q961-R963 VanDerWaalsContact C-N 3.32Å; Q961-L965 PolarHBondContact O-N 3.03Å
962K84.7Confident83.6Confident57 Ų5726.9 Ų26.925%0.24815%0.149CC..Hα-helixtrans-62.6-39.8169.3-72.2168175.1144.50111.1L909 V954 K955 L957 S958 G959 L965 S966L909-K962 HydrophobicContact CD1-CB 3.99Å; L909-K962 HydrophobicContact CD1-CG 4.31Å; V954-K962 HydrophobicContact CG1-CG 4.24Å; V954-K962 WeakPolarHBondContact O-CE 3.44Å; K955-K962 PolarHBondContact O-NZ 3.32Å; L957-K962 HydrophobicContact CB-CG 3.79Å; L957-K962 WeakPolarHBondContact O-CE 3.32Å; L957-K962 PolarHBondContact O-NZ 2.84Å; S958-K962 WeakPolarHBondContact O-CG 3.5Å; S958-K962 PolarHBondContact O-N 2.78Å; G959-K962 WeakPolarHBondContact O-CB 3.32Å; G959-K962 PolarHBondContact O-N 3.31Å; K962-L965 PolarHBondContact O-N 2.76Å; K962-S966 PolarHBondContact O-N 3.48Å
963R86.2Confident83.4Confident5 Ų524.3 Ų24.32%0.01914%0.137CC..Hα-helixtrans-67.6-46.3-179.9-161.456.6169.6164.11.5112.3C903 P904 N907 G959 G960 Q961 L965 S966 I967 D981 E982 P983 V987 I995C903-R963 PolarHBondContact SG-NH1 2.81Å; P904-R963 PolarHBondContact O-NH1 3.09Å; P904-R963 PolarHBondContact O-NH2 3.01Å; P904-R963 VanDerWaalsContact O-NH2 3.11Å; N907-R963 WeakPolarHBondContact OD1-CD 3.49Å; N907-R963 PolarHBondContact OD1-NH1 2.76Å; G959-R963 PolarHBondContact O-N 2.87Å; G960-R963 WeakPolarHBondContact O-CB 3.3Å; G960-R963 PolarHBondContact O-N 3.22Å; G960-R963 VanDerWaalsContact O-N 3.12Å; Q961-R963 VanDerWaalsContact C-N 3.32Å; R963-L965 VanDerWaalsContact C-N 3.32Å; R963-L965 PolarHBondContact O-N 3.43Å; R963-S966 WeakPolarHBondContact O-CB 3.49Å; R963-S966 PolarHBondContact O-N 3.13Å; R963-S966 VanDerWaalsContact O-N 3.09Å; R963-I967 HydrophobicContact CG-CD1 4.3Å; R963-I967 WeakPolarHBondContact O-CG1 3.5Å; R963-I967 PolarHBondContact O-N 3.12Å; R963-D981 PolarHBondContact NH2-O 2.96Å; R963-E982 PolarHBondContact NH2-O 3.05Å; R963-P983 WeakPolarHBondContact CD-O 3.45Å; R963-P983 WeakPolarHBondContact CG-O 3.09Å; R963-P983 PolarHBondContact NE-O 3.33Å; R963-V987 HydrophobicContact CB-CG2 4.2Å; R963-V987 HydrophobicContact CG-CG2 4.16Å; R963-I995 HydrophobicContact CB-CD1 4.23Å; R963-I995 HydrophobicContact CG-CD1 4.08Å
964K87.2Confident83.3Confident26 Ų2628.8 Ų28.811%0.11316%0.158CC..Hα-helixtrans-53.1-46.1171.5-75.9-169.2176.8-166.50112.1L944 G960 I967 A968 S994 I995L944-K964 HydrophobicContact CD2-CB 3.92Å; L944-K964 WeakPolarHBondContact CD2-O 3.48Å; G960-K964 PolarHBondContact O-N 2.59Å; K964-I967 PolarHBondContact O-N 2.88Å; K964-A968 PolarHBondContact O-N 3.44Å; K964-S994 WeakPolarHBondContact CE-O 3.2Å; K964-S994 WeakPolarHBondContact CE-OG 3.33Å; K964-S994 VanDerWaalsContact NZ-CB 3.31Å; K964-S994 PolarHBondContact NZ-O 3.45Å; K964-S994 PolarHBondContact NZ-OG 2.81Å; K964-I995 HydrophobicContact CG-CD1 4.11Å; K964-I995 HydrophobicContact CG-CG1 3.7Å
965L89.3Confident83.3Confident0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-64.7-41.2175.2178.957.9000113L909 V915 H918 I919 V954 L957 Q961 K962 R963 I967 A968 I969L909-L965 HydrophobicContact CD1-CD2 4.4Å; L909-L965 HydrophobicContact CD2-CG 4.4Å; V915-L965 HydrophobicContact CG1-CD1 4.2Å; V915-L965 HydrophobicContact CG2-CD2 4.36Å; H918-L965 HydrophobicContact CB-CD1 4.24Å; H918-L965 HydrophobicContact CB-CD2 4.36Å; I919-L965 HydrophobicContact CG1-CD1 4.19Å; V954-L965 HydrophobicContact CG2-CD2 3.54Å; L957-L965 HydrophobicContact CD1-CD2 4.26Å; Q961-L965 PolarHBondContact O-N 3.03Å; K962-L965 PolarHBondContact O-N 2.76Å; R963-L965 VanDerWaalsContact C-N 3.32Å; R963-L965 PolarHBondContact O-N 3.43Å; L965-I967 VanDerWaalsContact C-N 3.32Å; L965-I967 PolarHBondContact O-N 2.94Å; L965-A968 PolarHBondContact O-N 2.81Å; L965-I969 HydrophobicContact CD1-CD1 4.16Å; L965-I969 HydrophobicContact CD1-CG1 4.33Å; L965-I969 HydrophobicContact CG-CD1 4.04Å; L965-I969 WeakPolarHBondContact O-CD1 3.32Å; L965-I969 VanDerWaalsContact O-CG1 3.29Å; L965-I969 WeakPolarHBondContact O-CG1 3.17Å; L965-I969 PolarHBondContact O-N 2.89Å
966S89.4Confident83.8Confident4 Ų424.8 Ų24.83%0.02815%0.145CC..Hα-helixtrans-62.8-38.8176.9-164.80000112.1C903 N907 K962 R963 A970C903-S966 PolarHBondContact SG-OG 3.05Å; C903-S966 VanDerWaalsContact SG-OG 3.33Å; N907-S966 WeakPolarHBondContact OD1-CB 3.47Å; K962-S966 PolarHBondContact O-N 3.48Å; R963-S966 WeakPolarHBondContact O-CB 3.49Å; R963-S966 PolarHBondContact O-N 3.13Å; R963-S966 VanDerWaalsContact O-N 3.09Å; S966-A970 PolarHBondContact O-N 3.47Å
967I88.9Confident84.5Confident2 Ų221.4 Ų21.41%0.0112%0.124CC..Hα-helixtrans-67.2-47.4174.7-67.5172.3000110.2R963 K964 L965 I969 A970 F971 P983 I995 L998R963-I967 HydrophobicContact CG-CD1 4.3Å; R963-I967 WeakPolarHBondContact O-CG1 3.5Å; R963-I967 PolarHBondContact O-N 3.12Å; K964-I967 PolarHBondContact O-N 2.88Å; L965-I967 VanDerWaalsContact C-N 3.32Å; L965-I967 PolarHBondContact O-N 2.94Å; I967-I969 VanDerWaalsContact C-N 3.28Å; I967-I969 PolarHBondContact O-N 3.01Å; I967-A970 WeakPolarHBondContact O-CB 3.06Å; I967-A970 PolarHBondContact O-N 2.7Å; I967-F971 HydrophobicContact CG2-CD2 3.77Å; I967-F971 HydrophobicContact CG2-CE2 3.67Å; I967-F971 WeakPolarHBondContact O-CD2 3.31Å; I967-F971 PolarHBondContact O-N 3.28Å; I967-P983 HydrophobicContact CD1-CB 4.12Å; I967-I995 HydrophobicContact CD1-CD1 4.19Å; I967-I995 HydrophobicContact CD1-CG1 4.23Å; I967-I995 HydrophobicContact CD1-CG2 3.48Å; I967-I995 VanDerWaalsContact CD1-CG2 3.48Å; I967-L998 HydrophobicContact CG2-CD2 4.12Å
968A88.4Confident85.2Confident0 Ų021.2 Ų21.20%012%0.123CC..Hα-helixtrans-53.6-43.717600000112.6F940 L944 K964 L965 A970 F971 V972F940-A968 HydrophobicContact CD1-CB 3.84Å; F940-A968 HydrophobicContact CE1-CB 4.16Å; F940-A968 HydrophobicContact CG-CB 4.44Å; L944-A968 HydrophobicContact CD1-CB 3.79Å; L944-A968 HydrophobicContact CD2-CB 4.01Å; L944-A968 HydrophobicContact CG-CB 4.41Å; K964-A968 PolarHBondContact O-N 3.44Å; L965-A968 PolarHBondContact O-N 2.81Å; A968-A970 PolarHBondContact O-N 2.68Å; A968-F971 PolarHBondContact O-N 3.23Å; A968-V972 VanDerWaalsContact O-CG2 3.32Å; A968-V972 WeakPolarHBondContact O-CG2 3.49Å; A968-V972 PolarHBondContact O-N 2.71Å
969I88.3Confident86.1Confident6 Ų618.7 Ų18.73%0.03111%0.106CC..Hα-helixtrans-59.4-31.6177.1-71.5162.3000112.8L909 H918 Y922 L965 I967L909-I969 HydrophobicContact CD2-CD1 3.49Å; L909-I969 VanDerWaalsContact CD2-CD1 3.49Å; H918-I969 HydrophobicContact CB-CD1 4.08Å; Y922-I969 HydrophobicContact CD1-CG2 4.05Å; Y922-I969 HydrophobicContact CD2-CB 4.29Å; Y922-I969 HydrophobicContact CD2-CD1 4.02Å; Y922-I969 HydrophobicContact CD2-CG1 3.82Å; Y922-I969 HydrophobicContact CD2-CG2 3.5Å; Y922-I969 HydrophobicContact CE1-CG2 4.25Å; Y922-I969 HydrophobicContact CE2-CD1 3.93Å; Y922-I969 HydrophobicContact CE2-CG1 4.22Å; Y922-I969 HydrophobicContact CE2-CG2 3.72Å; Y922-I969 HydrophobicContact CG-CG2 3.69Å; L965-I969 HydrophobicContact CD1-CD1 4.16Å; L965-I969 HydrophobicContact CD1-CG1 4.33Å; L965-I969 HydrophobicContact CG-CD1 4.04Å; L965-I969 WeakPolarHBondContact O-CD1 3.32Å; L965-I969 VanDerWaalsContact O-CG1 3.29Å; L965-I969 WeakPolarHBondContact O-CG1 3.17Å; L965-I969 PolarHBondContact O-N 2.89Å; I967-I969 VanDerWaalsContact C-N 3.28Å; I967-I969 PolarHBondContact O-N 3.01Å
970A88.6Confident87.1Confident0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-73.4-36.3174.700000112.4G901 C903 S966 I967 A968 I978G901-A970 VanDerWaalsContact CA-O 3.23Å; G901-A970 WeakPolarHBondContact CA-O 3.38Å; C903-A970 HydrophobicContact CB-CB 4.16Å; S966-A970 PolarHBondContact O-N 3.47Å; I967-A970 WeakPolarHBondContact O-CB 3.06Å; I967-A970 PolarHBondContact O-N 2.7Å; A968-A970 PolarHBondContact O-N 2.68Å; A970-I978 HydrophobicContact CB-CG2 4.44Å
971F88.7Confident87.7Confident1 Ų116.9 Ų16.90%0.0049%0.085CC..Hα-helixtrans-81.6-25.8179.8-79.8-82.6000114.5F940 I967 A968 Q974 I978 M1002 K1006 I1008F940-F971 HydrophobicContact CE1-CB 4.15Å; F940-F971 HydrophobicContact CZ-CB 3.96Å; I967-F971 HydrophobicContact CG2-CD2 3.77Å; I967-F971 HydrophobicContact CG2-CE2 3.67Å; I967-F971 WeakPolarHBondContact O-CD2 3.31Å; I967-F971 PolarHBondContact O-N 3.28Å; A968-F971 PolarHBondContact O-N 3.23Å; F971-Q974 PolarHBondContact O-N 3.02Å; F971-I978 HydrophobicContact CD1-CD1 3.58Å; F971-I978 HydrophobicContact CD1-CG1 4.29Å; F971-I978 HydrophobicContact CE1-CD1 3.5Å; F971-I978 HydrophobicContact CE1-CG1 4.33Å; F971-I978 HydrophobicContact CE2-CG2 4.43Å; F971-I978 HydrophobicContact CG-CD1 4.43Å; F971-I978 HydrophobicContact CZ-CD1 4.29Å; F971-I978 HydrophobicContact CZ-CG2 4.38Å; F971-M1002 HydrophobicContact CB-CE 3.65Å; F971-M1002 HydrophobicContact CD1-CB 3.76Å; F971-M1002 HydrophobicContact CD1-CE 3.73Å; F971-M1002 HydrophobicContact CD1-CG 4.31Å; F971-M1002 HydrophobicContact CE1-CB 3.38Å; F971-M1002 HydrophobicContact CE1-CG 4.33Å; F971-M1002 HydrophobicContact CG-CE 3.88Å; F971-M1002 HydrophobicContact CZ-CB 3.9Å; F971-K1006 HydrophobicContact CD1-CD 4.43Å; F971-K1006 HydrophobicContact CE1-CD 4.42Å; F971-I1008 HydrophobicContact CE1-CD1 4.05Å; F971-I1008 HydrophobicContact CZ-CD1 3.96Å
972V87.3Confident87.8Confident0 Ų015 Ų150%08%0.076CC..THydrogen-bonded Turntrans-47.3140.9177.2151.50000112I919 A923 K926 E936 F940 A968I919-V972 HydrophobicContact CG2-CG2 4.09Å; A923-V972 HydrophobicContact CB-CG1 3.91Å; K926-V972 VanDerWaalsContact CD-O 3.29Å; K926-V972 WeakPolarHBondContact CD-O 3.15Å; K926-V972 WeakPolarHBondContact CE-O 3.29Å; K926-V972 PolarHBondContact NZ-O 3.17Å; E936-V972 WeakPolarHBondContact OE2-CA 3.32Å; F940-V972 HydrophobicContact CD2-CG2 3.8Å; F940-V972 HydrophobicContact CE2-CB 4.31Å; F940-V972 HydrophobicContact CE2-CG2 3.5Å; F940-V972 VanDerWaalsContact CE2-CG2 3.5Å; F940-V972 HydrophobicContact CZ-CG2 4.09Å; A968-V972 VanDerWaalsContact O-CG2 3.32Å; A968-V972 WeakPolarHBondContact O-CG2 3.49Å; A968-V972 PolarHBondContact O-N 2.71Å
973G77.9Confident87.8Confident8 Ų812.2 Ų12.28%0.0826%0.064CC..THydrogen-bonded Turntrans62.938.6179.700000113.5F928 E936 A975F928-G973 VanDerWaalsContact CZ-CA 3.44Å; E936-G973 PolarHBondContact OE1-N 3.47Å; E936-G973 PolarHBondContact OE2-N 3.48Å; G973-A975 PolarHBondContact O-N 3.19Å
974Q81.5Confident87.7Confident149 Ų14912 Ų1270%0.6966%0.063SC*.THydrogen-bonded Turntrans47.249.1170.3-59.7-174.2-10.500115.7F971 S976F971-Q974 PolarHBondContact O-N 3.02Å; Q974-S976 PolarHBondContact O-N 3.29Å
975A84.8Confident87Confident0 Ų012.8 Ų12.80%07%0.07CC..  trans-54.3136.8167.700000111.3N899 G973 I978 K1006N899-A975 CarbonylContact O-C 3.53Å; N899-A975 WeakPolarHBondContact O-CA 3.49Å; N899-A975 WeakPolarHBondContact O-CB 3.4Å; G973-A975 PolarHBondContact O-N 3.19Å; A975-I978 HydrophobicContact CB-CD1 4.3Å; A975-I978 HydrophobicContact CB-CG1 3.99Å; A975-K1006 WeakPolarHBondContact O-CD 3.43Å; A975-K1006 VanDerWaalsContact O-CE 3.29Å; A975-K1006 WeakPolarHBondContact O-CE 3.34Å
976S87Confident85.9Confident38 Ų3815 Ų1527%0.2669%0.092SC..SBendtrans-90.8-22.7175.167.60000112.6N899 Q974 K1006 T1007N899-S976 PolarHBondContact O-N 3.01Å; Q974-S976 PolarHBondContact O-N 3.29Å; S976-K1006 WeakPolarHBondContact O-CA 3.32Å; S976-T1007 PolarHBondContact O-N 2.93Å
977V91.4Very high85.2Confident0 Ų014.9 Ų14.90%09%0.092CC..EExtended strand (participates in β ladder)trans-124.2118.9178.71740000108.3S823 I824 I884 N899 L900 G901 T1007S823-V977 WeakPolarHBondContact OG-CG2 3.24Å; I824-V977 HydrophobicContact CD1-CG1 3.62Å; I824-V977 HydrophobicContact CG1-CG1 4.29Å; I884-V977 HydrophobicContact CG2-CB 4.43Å; I884-V977 HydrophobicContact CG2-CG1 4.18Å; I884-V977 HydrophobicContact CG2-CG2 4.04Å; N899-V977 PolarHBondContact O-N 3.42Å; N899-V977 VanDerWaalsContact O-N 3.16Å; L900-V977 CarbonylContact C-O 3.6Å; L900-V977 WeakPolarHBondContact CA-O 3.37Å; L900-V977 HydrophobicContact CD1-CB 4.36Å; L900-V977 HydrophobicContact CD1-CG1 3.86Å; G901-V977 PolarHBondContact N-O 3.19Å; V977-T1007 WeakPolarHBondContact CA-O 3.35Å
978I93.4Very high84.4Confident0 Ų015.1 Ų15.10%09%0.093CC..EExtended strand (participates in β ladder)trans-121.6130.7-179.8-67.3122.9000110.3G901 A970 F971 A975 L980 K1006 T1007 I1008 I1009G901-I978 WeakPolarHBondContact O-CA 3.1Å; A970-I978 HydrophobicContact CB-CG2 4.44Å; F971-I978 HydrophobicContact CD1-CD1 3.58Å; F971-I978 HydrophobicContact CD1-CG1 4.29Å; F971-I978 HydrophobicContact CE1-CD1 3.5Å; F971-I978 HydrophobicContact CE1-CG1 4.33Å; F971-I978 HydrophobicContact CE2-CG2 4.43Å; F971-I978 HydrophobicContact CG-CD1 4.43Å; F971-I978 HydrophobicContact CZ-CD1 4.29Å; F971-I978 HydrophobicContact CZ-CG2 4.38Å; A975-I978 HydrophobicContact CB-CD1 4.3Å; A975-I978 HydrophobicContact CB-CG1 3.99Å; I978-L980 HydrophobicContact CG2-CD2 3.6Å; I978-L980 HydrophobicContact CG2-CG 3.87Å; I978-K1006 HydrophobicContact CD1-CB 4.28Å; I978-K1006 HydrophobicContact CD1-CD 3.59Å; I978-K1006 HydrophobicContact CD1-CG 4.44Å; I978-T1007 PolarHBondContact N-O 3.21Å; I978-I1008 WeakPolarHBondContact O-CA 3.46Å; I978-I1009 PolarHBondContact O-N 3.33Å
979L93.2Very high83.6Confident0 Ų015.1 Ų15.10%09%0.093CC..EExtended strand (participates in β ladder)trans-110.1115.7175-53.8178000108.5I824 I868 L871 T872 L900 G901 Y902 C903 I1009I824-L979 HydrophobicContact CD1-CD2 4.38Å; I868-L979 HydrophobicContact CG2-CB 4.46Å; L871-L979 HydrophobicContact CB-CD1 3.8Å; L871-L979 HydrophobicContact CD1-CD2 4.31Å; T872-L979 HydrophobicContact CG2-CD1 3.68Å; L900-L979 HydrophobicContact CD1-CD1 4.16Å; L900-L979 HydrophobicContact CD1-CG 4.4Å; G901-L979 PolarHBondContact O-N 3.09Å; Y902-L979 WeakPolarHBondContact CA-O 3.5Å; Y902-L979 HydrophobicContact CD2-CB 4.03Å; Y902-L979 WeakPolarHBondContact CD2-O 3.26Å; C903-L979 PolarHBondContact N-O 3.04Å; L979-I1009 HydrophobicContact CD2-CB 3.83Å; L979-I1009 HydrophobicContact CD2-CD1 3.8Å; L979-I1009 HydrophobicContact CD2-CG1 4.1Å
980L92.4Very high83Confident0 Ų017.1 Ų17.10%010%0.1CC..EExtended strand (participates in β ladder)trans-109.8104.5175.7-56.1-177.6000108.6C903 I978 E982 P983 I999 I1008 I1009 I1010 T1011C903-L980 HydrophobicContact CB-CD2 3.5Å; I978-L980 HydrophobicContact CG2-CD2 3.6Å; I978-L980 HydrophobicContact CG2-CG 3.87Å; L980-E982 PolarHBondContact O-N 2.95Å; L980-P983 HydrophobicContact CB-CB 4.27Å; L980-P983 HydrophobicContact CB-CG 4.31Å; L980-P983 HydrophobicContact CD1-CB 4.36Å; L980-I999 HydrophobicContact CD1-CD1 3.67Å; L980-I999 HydrophobicContact CD1-CG1 4.01Å; L980-I1008 HydrophobicContact CD1-CG2 4.15Å; L980-I1008 HydrophobicContact CG-CG2 4.45Å; L980-I1009 PolarHBondContact N-O 2.68Å; L980-I1010 HydrophobicContact CB-CG1 4.32Å; L980-I1010 HydrophobicContact CD1-CD1 4.34Å; L980-I1010 HydrophobicContact CD1-CG1 4.24Å; L980-I1010 WeakPolarHBondContact O-CA 3.44Å; L980-T1011 PolarHBondContact O-N 3.21Å
981D89.3Confident82.4Confident10 Ų1018.1 Ų18.15%0.05311%0.107CC..EExtended strand (participates in β ladder)trans-85.8104.6173.8-16640.7000108.2S865 I868 Y902 C903 P904 Q905 R963 T1011S865-D981 WeakPolarHBondContact CB-OD1 3.44Å; S865-D981 PolarHBondContact OG-OD1 3.01Å; S865-D981 PolarHBondContact OG-OD2 2.9Å; I868-D981 HydrophobicContact CD1-CB 3.93Å; I868-D981 HydrophobicContact CG2-CB 4.48Å; Y902-D981 HydrophobicContact CE2-CB 4.26Å; C903-D981 PolarHBondContact O-N 2.85Å; P904-D981 CarbonylContact C-O 3.59Å; Q905-D981 WeakPolarHBondContact CA-O 3.5Å; Q905-D981 PolarHBondContact N-O 3.19Å; R963-D981 PolarHBondContact NH2-O 2.96Å; D981-T1011 VanDerWaalsContact CA-OG1 3.24Å; D981-T1011 WeakPolarHBondContact CA-OG1 3.29Å; D981-T1011 PolarHBondContact OD1-OG1 2.92Å
982E85.7Confident82Confident8 Ų818.4 Ų18.44%0.03711%0.109CC..SBendtrans55.264.6177.1-54.6-122.5104.300114.8Q905 R963 L980 T984 T985 T1011 T1012 H1013Q905-E982 HydrophobicContact CB-CB 4.42Å; Q905-E982 HydrophobicContact CG-CB 4.01Å; Q905-E982 HydrophobicContact CG-CG 4.24Å; Q905-E982 PolarHBondContact NE2-OE2 3.09Å; R963-E982 PolarHBondContact NH2-O 3.05Å; L980-E982 PolarHBondContact O-N 2.95Å; E982-T984 VanDerWaalsContact C-N 3.32Å; E982-T984 PolarHBondContact O-N 3.15Å; E982-T985 HydrophobicContact CB-CG2 3.9Å; E982-T985 PolarHBondContact O-OG1 3.36Å; E982-T1011 WeakPolarHBondContact CA-O 3.47Å; E982-T1011 PolarHBondContact N-O 3.01Å; E982-T1011 PolarHBondContact N-OG1 3.23Å; E982-T1012 VanDerWaalsContact OE1-C 3.31Å; E982-T1012 WeakPolarHBondContact OE1-CA 3.47Å; E982-H1013 IonicContact OE1-CD2 2.88Å; E982-H1013 PolarHBondContact OE1-CD2 2.88Å; E982-H1013 IonicContact OE1-CG 3.72Å; E982-H1013 PolarHBondContact OE1-N 2.8Å; E982-H1013 IonicContact OE2-CD2 3.46Å
983P85.7Confident81.5Confident0 Ų020 Ų200%011%0.114CC..THydrogen-bonded Turntrans-61.4-28.9-16722.5-32.3000115.2R963 I967 L980 I999 I1010 T1011R963-P983 WeakPolarHBondContact CD-O 3.45Å; R963-P983 WeakPolarHBondContact CG-O 3.09Å; R963-P983 PolarHBondContact NE-O 3.33Å; I967-P983 HydrophobicContact CD1-CB 4.12Å; L980-P983 HydrophobicContact CB-CB 4.27Å; L980-P983 HydrophobicContact CB-CG 4.31Å; L980-P983 HydrophobicContact CD1-CB 4.36Å; P983-I999 HydrophobicContact CB-CD1 4.39Å; P983-I1010 HydrophobicContact CG-CG2 3.65Å; P983-T1011 WeakPolarHBondContact CD-O 3.47Å
984T83.2Confident81.6Confident0 Ų020.5 Ų20.50%012%0.117CC..THydrogen-bonded Turntrans-122.210.3-173.267.20000116.5E982 G986 V987 R992 I995 E1017E982-T984 VanDerWaalsContact C-N 3.32Å; E982-T984 PolarHBondContact O-N 3.15Å; T984-G986 PolarHBondContact O-N 2.82Å; T984-V987 VanDerWaalsContact O-CB 3.28Å; T984-V987 WeakPolarHBondContact O-CB 3.33Å; T984-V987 PolarHBondContact O-N 3.14Å; T984-R992 HydrophobicContact CG2-CB 4.5Å; T984-R992 HydrophobicContact CG2-CG 3.84Å; T984-I995 HydrophobicContact CG2-CB 4.11Å; T984-I995 HydrophobicContact CG2-CD1 4.29Å; T984-I995 HydrophobicContact CG2-CG2 3.67Å; T984-E1017 WeakPolarHBondContact CG2-OE1 3.39Å; T984-E1017 PolarHBondContact OG1-OE1 3.37Å; T984-E1017 PolarHBondContact OG1-OE2 3.14Å
985T73.5Confident81.8Confident43 Ų4313.5 Ų13.526%0.2648%0.084SC..THydrogen-bonded Turntrans-59.7128176.850.90000111.5E982 V987E982-T985 HydrophobicContact CB-CG2 3.9Å; E982-T985 PolarHBondContact O-OG1 3.36Å; T985-V987 VanDerWaalsContact C-N 3.34Å
986G66.2Low81.8Confident45 Ų4513.7 Ų13.746%0.4649%0.085SC..THydrogen-bonded Turntrans74.620.9-176.400000114.4T984T984-G986 PolarHBondContact O-N 2.82Å
987V74.6Confident81.6Confident3 Ų315.2 Ų15.22%0.0189%0.09CC..  trans-113.9134176-173.50000110.2R963 T984 T985 R992 I995R963-V987 HydrophobicContact CB-CG2 4.2Å; R963-V987 HydrophobicContact CG-CG2 4.16Å; T984-V987 VanDerWaalsContact O-CB 3.28Å; T984-V987 WeakPolarHBondContact O-CB 3.33Å; T984-V987 PolarHBondContact O-N 3.14Å; T985-V987 VanDerWaalsContact C-N 3.34Å; V987-R992 PolarHBondContact O-NH2 3.15Å; V987-I995 HydrophobicContact CG1-CD1 4.23Å
988D71.5Confident81.3Confident6 Ų615.6 Ų15.63%0.0329%0.092CC..  trans-61.5149176.545.9-72.6000112.8Y990 S991 R992 N2000D988-Y990 VanDerWaalsContact C-N 3.29Å; D988-Y990 PolarHBondContact O-N 3.45Å; D988-Y990 VanDerWaalsContact O-N 3.15Å; D988-S991 VanDerWaalsContact CG-CB 3.5Å; D988-S991 VanDerWaalsContact CG-OG 3.3Å; D988-S991 CarbonylContact O-C 3.57Å; D988-S991 PolarHBondContact O-N 3.31Å; D988-S991 WeakPolarHBondContact OD1-CB 3.45Å; D988-S991 PolarHBondContact OD1-OG 2.9Å; D988-S991 WeakPolarHBondContact OD2-CB 3.42Å; D988-S991 PolarHBondContact OD2-N 2.87Å; D988-S991 VanDerWaalsContact OD2-N 3.1Å; D988-S991 PolarHBondContact OD2-OG 3.4Å; D988-R992 VanDerWaalsContact O-CB 3.28Å; D988-R992 WeakPolarHBondContact O-CB 3.44Å; D988-R992 PolarHBondContact O-N 3.4Å; D988-N2000 HydrophobicContact CB-CB 4.02Å; D988-N2000 WeakPolarHBondContact CB-ND2 3.29Å; D988-N2000 WeakPolarHBondContact OD1-CB 3.28Å; D988-N2000 PolarHBondContact OD1-ND2 3.16Å
989P70.9Confident81.1Confident0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-50-40.3-176.3-32.336.5000115.5R992 R993 H2154 M2156 D2267 F2270P989-R992 WeakPolarHBondContact O-CB 3.07Å; P989-R992 PolarHBondContact O-N 3.15Å; P989-R993 PolarHBondContact O-N 3.15Å; P989-H2154 VanDerWaalsContact CD-O 3.28Å; P989-H2154 WeakPolarHBondContact CD-O 3.33Å; P989-H2154 WeakPolarHBondContact CG-O 3.03Å; P989-M2156 HydrophobicContact CB-CE 4.21Å; P989-M2156 HydrophobicContact CG-CE 3.78Å; P989-M2156 HydrophobicContact CG-SD 3.86Å; P989-D2267 WeakPolarHBondContact CB-OD1 3.39Å; P989-F2270 HydrophobicContact CB-CD1 4.18Å; P989-F2270 HydrophobicContact CB-CE1 4.14Å; P989-F2270 HydrophobicContact CG-CE1 4.44Å
990Y75.9Confident80.7Confident48 Ų4817.6 Ų17.619%0.18810%0.103CC..Hα-helixtrans-67.8-49.1176.7-177.9-86.9000112.3D988 R992 R993 S994 M2278D988-Y990 VanDerWaalsContact C-N 3.29Å; D988-Y990 PolarHBondContact O-N 3.45Å; D988-Y990 VanDerWaalsContact O-N 3.15Å; Y990-R992 PolarHBondContact O-N 3.29Å; Y990-R993 PolarHBondContact O-N 3.28Å; Y990-S994 PolarHBondContact O-N 3.26Å; Y990-S994 PolarHBondContact O-OG 2.78Å; Y990-M2278 HydrophobicContact CE1-CE 3.94Å; Y990-M2278 HydrophobicContact CE1-SD 3.75Å; Y990-M2278 PolarHBondContact OH-SD 2.82Å; Y990-M2278 VanDerWaalsContact OH-SD 3.34Å
991S76.5Confident80.3Confident21 Ų2124.6 Ų24.615%0.14713%0.133CC..Hα-helixtrans-65.9-21.5174.3-62.30000112.9D988 S994 I995D988-S991 VanDerWaalsContact CG-CB 3.5Å; D988-S991 VanDerWaalsContact CG-OG 3.3Å; D988-S991 CarbonylContact O-C 3.57Å; D988-S991 PolarHBondContact O-N 3.31Å; D988-S991 WeakPolarHBondContact OD1-CB 3.45Å; D988-S991 PolarHBondContact OD1-OG 2.9Å; D988-S991 WeakPolarHBondContact OD2-CB 3.42Å; D988-S991 PolarHBondContact OD2-N 2.87Å; D988-S991 VanDerWaalsContact OD2-N 3.1Å; D988-S991 PolarHBondContact OD2-OG 3.4Å; S991-S994 WeakPolarHBondContact CA-OG 3.38Å; S991-I995 WeakPolarHBondContact O-CD1 3.3Å; S991-I995 VanDerWaalsContact O-CG1 3.26Å; S991-I995 WeakPolarHBondContact O-CG1 3.21Å; S991-I995 PolarHBondContact O-N 3.23Å
992R79.5Confident80.1Confident8 Ų824.7 Ų24.73%0.0313%0.133CC..Hα-helixtrans-75.9-53.1174.6-175.3-172.1-46.61457.6111.4T984 V987 D988 P989 Y990 S994 I995 W996T984-R992 HydrophobicContact CG2-CB 4.5Å; T984-R992 HydrophobicContact CG2-CG 3.84Å; V987-R992 PolarHBondContact O-NH2 3.15Å; D988-R992 VanDerWaalsContact O-CB 3.28Å; D988-R992 WeakPolarHBondContact O-CB 3.44Å; D988-R992 PolarHBondContact O-N 3.4Å; P989-R992 WeakPolarHBondContact O-CB 3.07Å; P989-R992 PolarHBondContact O-N 3.15Å; Y990-R992 PolarHBondContact O-N 3.29Å; R992-S994 VanDerWaalsContact C-N 3.3Å; R992-S994 PolarHBondContact O-N 3.3Å; R992-I995 WeakPolarHBondContact O-CA 3.47Å; R992-I995 WeakPolarHBondContact O-CB 3.33Å; R992-I995 PolarHBondContact O-N 2.98Å; R992-W996 HydrophobicContact CG-CD2 4.24Å; R992-W996 HydrophobicContact CG-CH2 4.25Å; R992-W996 HydrophobicContact CG-CZ2 3.54Å; R992-W996 PolarHBondContact O-N 3.27Å
993R78.5Confident80.1Confident33 Ų3325.7 Ų25.713%0.12514%0.137CC..Hα-helixtrans-48.4-53.7170.4-118.368.5164.4-172-10.2110.3P989 Y990 I995 W996 D997 D2267 V2271P989-R993 PolarHBondContact O-N 3.15Å; Y990-R993 PolarHBondContact O-N 3.28Å; R993-I995 PolarHBondContact O-N 3.17Å; R993-W996 CarbonylContact O-C 3.5Å; R993-W996 WeakPolarHBondContact O-CA 3.44Å; R993-W996 WeakPolarHBondContact O-CB 3.47Å; R993-W996 PolarHBondContact O-N 2.97Å; R993-D997 PolarHBondContact O-N 2.8Å; R993-D2267 IonicContact CZ-OD2 2.7Å; R993-D2267 IonicContact NH1-OD2 3.78Å; R993-D2267 PolarHBondContact NH1-OD2 3.22Å; R993-D2267 IonicContact NH2-OD2 3.47Å; R993-V2271 HydrophobicContact CG-CG2 4.3Å
994S79.7Confident80.1Confident19 Ų1931.9 Ų31.913%0.13317%0.17CC..Hα-helixtrans-75.46.2179.9630000115.7K964 Y990 S991 R992 D997K964-S994 WeakPolarHBondContact CE-O 3.2Å; K964-S994 WeakPolarHBondContact CE-OG 3.33Å; K964-S994 VanDerWaalsContact NZ-CB 3.31Å; K964-S994 PolarHBondContact NZ-O 3.45Å; K964-S994 PolarHBondContact NZ-OG 2.81Å; Y990-S994 PolarHBondContact O-N 3.26Å; Y990-S994 PolarHBondContact O-OG 2.78Å; S991-S994 WeakPolarHBondContact CA-OG 3.38Å; R992-S994 VanDerWaalsContact C-N 3.3Å; R992-S994 PolarHBondContact O-N 3.3Å; S994-D997 WeakPolarHBondContact CA-OD2 3.33Å
995I85.4Confident80.2Confident2 Ų238.5 Ų38.51%0.0121%0.205CC..Hα-helixtrans-97.2-41.9159.1-79.3167.5000109.9R963 K964 I967 T984 V987 S991 R992 R993 L998 I999R963-I995 HydrophobicContact CB-CD1 4.23Å; R963-I995 HydrophobicContact CG-CD1 4.08Å; K964-I995 HydrophobicContact CG-CD1 4.11Å; K964-I995 HydrophobicContact CG-CG1 3.7Å; I967-I995 HydrophobicContact CD1-CD1 4.19Å; I967-I995 HydrophobicContact CD1-CG1 4.23Å; I967-I995 HydrophobicContact CD1-CG2 3.48Å; I967-I995 VanDerWaalsContact CD1-CG2 3.48Å; T984-I995 HydrophobicContact CG2-CB 4.11Å; T984-I995 HydrophobicContact CG2-CD1 4.29Å; T984-I995 HydrophobicContact CG2-CG2 3.67Å; V987-I995 HydrophobicContact CG1-CD1 4.23Å; S991-I995 WeakPolarHBondContact O-CD1 3.3Å; S991-I995 VanDerWaalsContact O-CG1 3.26Å; S991-I995 WeakPolarHBondContact O-CG1 3.21Å; S991-I995 PolarHBondContact O-N 3.23Å; R992-I995 WeakPolarHBondContact O-CA 3.47Å; R992-I995 WeakPolarHBondContact O-CB 3.33Å; R992-I995 PolarHBondContact O-N 2.98Å; R993-I995 PolarHBondContact O-N 3.17Å; I995-L998 WeakPolarHBondContact O-CB 3.02Å; I995-L998 PolarHBondContact O-N 3.14Å; I995-L998 VanDerWaalsContact O-N 3.16Å; I995-I999 HydrophobicContact CG2-CD1 3.81Å; I995-I999 HydrophobicContact CG2-CG1 4.47Å; I995-I999 WeakPolarHBondContact O-CG1 3.42Å; I995-I999 PolarHBondContact O-N 3.14Å
996W85.6Confident81Confident4 Ų437.7 Ų37.72%0.01520%0.198CC..Hα-helixtrans-58.1-49.5174.6-60.4-13.8000111.5R992 R993 L998 I999 L1000 D1016 E1017 I1020 L1021R992-W996 HydrophobicContact CG-CD2 4.24Å; R992-W996 HydrophobicContact CG-CH2 4.25Å; R992-W996 HydrophobicContact CG-CZ2 3.54Å; R992-W996 PolarHBondContact O-N 3.27Å; R993-W996 CarbonylContact O-C 3.5Å; R993-W996 WeakPolarHBondContact O-CA 3.44Å; R993-W996 WeakPolarHBondContact O-CB 3.47Å; R993-W996 PolarHBondContact O-N 2.97Å; W996-L998 PolarHBondContact O-N 2.65Å; W996-L998 VanDerWaalsContact O-N 3.15Å; W996-I999 PolarHBondContact O-N 3.38Å; W996-L1000 WeakPolarHBondContact O-CG 3.26Å; W996-L1000 PolarHBondContact O-N 2.93Å; W996-D1016 HydrophobicContact CH2-CB 4.28Å; W996-E1017 HydrophobicContact CZ2-CB 3.71Å; W996-E1017 HydrophobicContact CZ2-CG 4.23Å; W996-E1017 PolarHBondContact NE1-OE1 3.3Å; W996-I1020 HydrophobicContact CE3-CD1 4.21Å; W996-I1020 HydrophobicContact CE3-CG2 4.06Å; W996-I1020 HydrophobicContact CH2-CD1 4.04Å; W996-I1020 HydrophobicContact CZ3-CB 4.45Å; W996-I1020 HydrophobicContact CZ3-CD1 3.48Å; W996-I1020 VanDerWaalsContact CZ3-CD1 3.48Å; W996-I1020 HydrophobicContact CZ3-CG2 4.4Å; W996-L1021 HydrophobicContact CB-CD1 4.38Å; W996-L1021 HydrophobicContact CB-CD2 3.86Å; W996-L1021 HydrophobicContact CB-CG 4.24Å; W996-L1021 HydrophobicContact CG-CD1 4.07Å; W996-L1021 HydrophobicContact CG-CD2 4.27Å; W996-L1021 HydrophobicContact CG-CG 4.1Å
997D82.8Confident82.2Confident70 Ų7035.6 Ų35.637%0.37418%0.176SC..Hα-helixtrans-54.1-37.1175.2-52.5-29.8000112R993 S994 K1001R993-D997 PolarHBondContact O-N 2.8Å; S994-D997 WeakPolarHBondContact CA-OD2 3.33Å; D997-K1001 VanDerWaalsContact O-CB 3.27Å; D997-K1001 WeakPolarHBondContact O-CB 3.4Å; D997-K1001 WeakPolarHBondContact O-CD 3.32Å; D997-K1001 WeakPolarHBondContact O-CG 3.14Å; D997-K1001 PolarHBondContact O-N 2.64Å
998L84.7Confident83Confident8 Ų835.5 Ų35.54%0.04218%0.175CC..Hα-helixtrans-76.1-35.7-178.7-169.9151.5000111.3L943 L944 I967 I995 W996 M1002L943-L998 HydrophobicContact CD2-CD1 4.21Å; L943-L998 HydrophobicContact CD2-CD2 4.38Å; L943-L998 HydrophobicContact CD2-CG 4.01Å; L943-L998 HydrophobicContact CG-CD1 3.97Å; L943-L998 HydrophobicContact CG-CG 4.05Å; L944-L998 HydrophobicContact CD2-CD1 3.56Å; L944-L998 HydrophobicContact CG-CD1 4.4Å; I967-L998 HydrophobicContact CG2-CD2 4.12Å; I995-L998 WeakPolarHBondContact O-CB 3.02Å; I995-L998 PolarHBondContact O-N 3.14Å; I995-L998 VanDerWaalsContact O-N 3.16Å; W996-L998 PolarHBondContact O-N 2.65Å; W996-L998 VanDerWaalsContact O-N 3.15Å; L998-M1002 WeakPolarHBondContact O-CB 3.33Å; L998-M1002 WeakPolarHBondContact O-CG 3.23Å; L998-M1002 PolarHBondContact O-N 3.18Å
999I88.4Confident84.1Confident0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-67.8-47.1172.9-68.1166000110.1I853 L980 P983 I995 W996 M1002 K1003 I1008 I1010 L1021I853-I999 HydrophobicContact CD1-CG2 3.97Å; L980-I999 HydrophobicContact CD1-CD1 3.67Å; L980-I999 HydrophobicContact CD1-CG1 4.01Å; P983-I999 HydrophobicContact CB-CD1 4.39Å; I995-I999 HydrophobicContact CG2-CD1 3.81Å; I995-I999 HydrophobicContact CG2-CG1 4.47Å; I995-I999 WeakPolarHBondContact O-CG1 3.42Å; I995-I999 PolarHBondContact O-N 3.14Å; W996-I999 PolarHBondContact O-N 3.38Å; I999-M1002 CarbonylContact O-C 3.57Å; I999-M1002 WeakPolarHBondContact O-CA 3.48Å; I999-M1002 PolarHBondContact O-N 3.11Å; I999-K1003 PolarHBondContact O-N 2.96Å; I999-K1003 VanDerWaalsContact O-N 3.09Å; I999-I1008 HydrophobicContact CG2-CD1 4.21Å; I999-I1010 HydrophobicContact CD1-CD1 4.43Å; I999-I1010 HydrophobicContact CG2-CD1 4.28Å; I999-L1021 HydrophobicContact CB-CD1 4.48Å; I999-L1021 HydrophobicContact CD1-CD1 3.89Å; I999-L1021 HydrophobicContact CG2-CD1 4.31Å; I999-L1021 HydrophobicContact CG2-CD2 4.41Å
1000L84.9Confident85.1Confident42 Ų4235.2 Ų35.222%0.2217%0.174CC..Hα-helixtrans-60-48.9178.3-69.7168.7000111.7I853 W996 M1002 K1003 L1021I853-L1000 HydrophobicContact CD1-CD2 4.07Å; W996-L1000 WeakPolarHBondContact O-CG 3.26Å; W996-L1000 PolarHBondContact O-N 2.93Å; L1000-M1002 PolarHBondContact O-N 3.19Å; L1000-K1003 VanDerWaalsContact O-CB 3.26Å; L1000-K1003 WeakPolarHBondContact O-CB 3.21Å; L1000-K1003 PolarHBondContact O-N 3.49Å; L1000-K1003 VanDerWaalsContact O-N 3.11Å; L1000-L1021 HydrophobicContact CD1-CD2 4.03Å; L1000-L1021 HydrophobicContact CD2-CD2 3.84Å; L1000-L1021 HydrophobicContact CG-CD2 3.62Å
1001K83.9Confident85.9Confident146 Ų14633 Ų3364%0.63517%0.165SC*.Hα-helixtrans-59.7-19174.5-74.6167-175.3168.60113.7D997D997-K1001 VanDerWaalsContact O-CB 3.27Å; D997-K1001 WeakPolarHBondContact O-CB 3.4Å; D997-K1001 WeakPolarHBondContact O-CD 3.32Å; D997-K1001 WeakPolarHBondContact O-CG 3.14Å; D997-K1001 PolarHBondContact O-N 2.64Å
1002M84.9Confident86.3Confident13 Ų1332 Ų326%0.06416%0.158CC..THydrogen-bonded Turntrans-107.66.1-179-63.4-72.9-83.100113.8Y939 F940 L943 F971 L998 I999 L1000 K1006Y939-M1002 HydrophobicContact CE1-CE 4.13Å; Y939-M1002 HydrophobicContact CE1-SD 4.01Å; Y939-M1002 PolarHBondContact OH-SD 3.29Å; F940-M1002 HydrophobicContact CE1-CE 3.87Å; F940-M1002 HydrophobicContact CZ-CE 3.84Å; L943-M1002 HydrophobicContact CD2-CE 4.39Å; L943-M1002 HydrophobicContact CD2-CG 4.15Å; L943-M1002 HydrophobicContact CD2-SD 3.9Å; F971-M1002 HydrophobicContact CB-CE 3.65Å; F971-M1002 HydrophobicContact CD1-CB 3.76Å; F971-M1002 HydrophobicContact CD1-CE 3.73Å; F971-M1002 HydrophobicContact CD1-CG 4.31Å; F971-M1002 HydrophobicContact CE1-CB 3.38Å; F971-M1002 HydrophobicContact CE1-CG 4.33Å; F971-M1002 HydrophobicContact CG-CE 3.88Å; F971-M1002 HydrophobicContact CZ-CB 3.9Å; L998-M1002 WeakPolarHBondContact O-CB 3.33Å; L998-M1002 WeakPolarHBondContact O-CG 3.23Å; L998-M1002 PolarHBondContact O-N 3.18Å; I999-M1002 CarbonylContact O-C 3.57Å; I999-M1002 WeakPolarHBondContact O-CA 3.48Å; I999-M1002 PolarHBondContact O-N 3.11Å; L1000-M1002 PolarHBondContact O-N 3.19Å; M1002-K1006 WeakPolarHBondContact O-CD 3.44Å
1003K86.7Confident86.2Confident28 Ų2832.8 Ų32.812%0.12216%0.162CC..  trans-64.1-36.3179.1176.8177.7167.2175.90113.6N851 I853 I999 L1000 N1005 K1006 D1023N851-K1003 WeakPolarHBondContact O-CE 3.46Å; I853-K1003 HydrophobicContact CD1-CB 4.43Å; I853-K1003 HydrophobicContact CD1-CD 4.03Å; I853-K1003 HydrophobicContact CD1-CG 4.33Å; I853-K1003 HydrophobicContact CG1-CD 4.07Å; I853-K1003 HydrophobicContact CG1-CG 4.12Å; I999-K1003 PolarHBondContact O-N 2.96Å; I999-K1003 VanDerWaalsContact O-N 3.09Å; L1000-K1003 VanDerWaalsContact O-CB 3.26Å; L1000-K1003 WeakPolarHBondContact O-CB 3.21Å; L1000-K1003 PolarHBondContact O-N 3.49Å; L1000-K1003 VanDerWaalsContact O-N 3.11Å; K1003-N1005 PolarHBondContact O-N 3.49Å; K1003-K1006 PolarHBondContact O-N 2.84Å; K1003-D1023 WeakPolarHBondContact CE-OD2 3.29Å; K1003-D1023 IonicContact NZ-OD1 3.87Å; K1003-D1023 PolarHBondContact NZ-OD1 2.97Å; K1003-D1023 IonicContact NZ-OD2 2.84Å; K1003-D1023 PolarHBondContact NZ-OD2 3.43Å
1004L84.9Confident86.2Confident131 Ų13132.7 Ų32.769%0.68616%0.163SC*.THydrogen-bonded Turntrans-53.8122.5-169.4-74.9170000113.6N851 K1006N851-L1004 WeakPolarHBondContact OD1-CA 2.9Å; L1004-K1006 VanDerWaalsContact C-N 3.27Å; L1004-K1006 PolarHBondContact O-N 3.42Å
1005N85.3Confident86.2Confident139 Ų13932.2 Ų32.274%0.74316%0.159SC*.THydrogen-bonded Turntrans59.127.8-178-65.8-19.5000114.9N851 K1003N851-N1005 PolarHBondContact OD1-N 2.81Å; K1003-N1005 PolarHBondContact O-N 3.49Å
1006K89.5Confident85.9Confident26 Ų2634.9 Ų34.911%0.11317%0.173CC..  trans-128.7154.1-179.7-59.4-172.5-175-175.70113N851 F971 A975 S976 I978 M1002 K1003 L1004 I1008N851-K1006 VanDerWaalsContact CA-O 3.25Å; N851-K1006 WeakPolarHBondContact CA-O 3.46Å; N851-K1006 PolarHBondContact N-O 3.24Å; F971-K1006 HydrophobicContact CD1-CD 4.43Å; F971-K1006 HydrophobicContact CE1-CD 4.42Å; A975-K1006 WeakPolarHBondContact O-CD 3.43Å; A975-K1006 VanDerWaalsContact O-CE 3.29Å; A975-K1006 WeakPolarHBondContact O-CE 3.34Å; S976-K1006 WeakPolarHBondContact O-CA 3.32Å; I978-K1006 HydrophobicContact CD1-CB 4.28Å; I978-K1006 HydrophobicContact CD1-CD 3.59Å; I978-K1006 HydrophobicContact CD1-CG 4.44Å; M1002-K1006 WeakPolarHBondContact O-CD 3.44Å; K1003-K1006 PolarHBondContact O-N 2.84Å; L1004-K1006 VanDerWaalsContact C-N 3.27Å; L1004-K1006 PolarHBondContact O-N 3.42Å; K1006-I1008 HydrophobicContact CB-CG1 4.37Å
1007T91.9Very high85.8Confident1 Ų134.7 Ų34.71%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-101.2115171.9-48.60000107.4S823 F848 S976 V977 I978S823-T1007 WeakPolarHBondContact CB-OG1 3.23Å; S823-T1007 PolarHBondContact OG-OG1 2.94Å; F848-T1007 HydrophobicContact CB-CG2 4.17Å; S976-T1007 PolarHBondContact O-N 2.93Å; V977-T1007 WeakPolarHBondContact CA-O 3.35Å; I978-T1007 PolarHBondContact N-O 3.21Å
1008I92.8Very high86Confident0 Ų031.3 Ų31.30%016%0.155CC..EExtended strand (participates in β ladder)trans-116.8118.9-178.4-53.7-179.9000108.8Q852 I853 T854 F971 I978 L980 I999 K1006 I1010Q852-I1008 PolarHBondContact O-N 3.44Å; I853-I1008 CarbonylContact C-O 3.58Å; I853-I1008 WeakPolarHBondContact CA-O 3.42Å; I853-I1008 HydrophobicContact CG1-CB 4.19Å; I853-I1008 HydrophobicContact CG1-CD1 4.31Å; I853-I1008 HydrophobicContact CG2-CB 4.36Å; I853-I1008 HydrophobicContact CG2-CG2 4.32Å; T854-I1008 PolarHBondContact N-O 3.04Å; F971-I1008 HydrophobicContact CE1-CD1 4.05Å; F971-I1008 HydrophobicContact CZ-CD1 3.96Å; I978-I1008 WeakPolarHBondContact O-CA 3.46Å; L980-I1008 HydrophobicContact CD1-CG2 4.15Å; L980-I1008 HydrophobicContact CG-CG2 4.45Å; I999-I1008 HydrophobicContact CG2-CD1 4.21Å; K1006-I1008 HydrophobicContact CB-CG1 4.37Å; I1008-I1010 HydrophobicContact CG2-CD1 4.3Å; I1008-I1010 HydrophobicContact CG2-CG1 3.93Å
1009I93.6Very high85.9Confident1 Ų132.1 Ų32.11%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-104.8126.4171.2-59179.6000108I824 F848 L856 L871 I978 L979 L980I824-I1009 HydrophobicContact CD1-CD1 3.51Å; I824-I1009 HydrophobicContact CD1-CG1 4.48Å; F848-I1009 HydrophobicContact CB-CD1 4.29Å; F848-I1009 HydrophobicContact CD1-CD1 3.52Å; F848-I1009 HydrophobicContact CD1-CG1 3.64Å; F848-I1009 HydrophobicContact CD2-CD1 3.74Å; F848-I1009 HydrophobicContact CE1-CD1 3.59Å; F848-I1009 HydrophobicContact CE1-CG1 3.87Å; F848-I1009 HydrophobicContact CE1-CG2 4.19Å; F848-I1009 HydrophobicContact CE2-CD1 3.78Å; F848-I1009 HydrophobicContact CG-CD1 3.59Å; F848-I1009 HydrophobicContact CG-CG1 4.08Å; F848-I1009 HydrophobicContact CZ-CD1 3.72Å; F848-I1009 HydrophobicContact CZ-CG1 4.48Å; L856-I1009 HydrophobicContact CD1-CG2 3.49Å; L856-I1009 VanDerWaalsContact CD1-CG2 3.49Å; L856-I1009 HydrophobicContact CG-CG2 4.34Å; L871-I1009 HydrophobicContact CD1-CD1 4.21Å; I978-I1009 PolarHBondContact O-N 3.33Å; L979-I1009 HydrophobicContact CD2-CB 3.83Å; L979-I1009 HydrophobicContact CD2-CD1 3.8Å; L979-I1009 HydrophobicContact CD2-CG1 4.1Å; L980-I1009 PolarHBondContact N-O 2.68Å
1010I92.8Very high85.6Confident0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-116.5127.7177.6-56.7-172.7000108.2I853 T854 S855 L856 L980 P983 I999 I1008 L1021I853-I1010 HydrophobicContact CG2-CD1 3.58Å; I853-I1010 HydrophobicContact CG2-CG1 3.95Å; T854-I1010 PolarHBondContact O-N 2.63Å; S855-I1010 CarbonylContact C-O 3.48Å; S855-I1010 WeakPolarHBondContact CA-O 3.43Å; L856-I1010 PolarHBondContact N-O 3.43Å; L980-I1010 HydrophobicContact CB-CG1 4.32Å; L980-I1010 HydrophobicContact CD1-CD1 4.34Å; L980-I1010 HydrophobicContact CD1-CG1 4.24Å; L980-I1010 WeakPolarHBondContact O-CA 3.44Å; P983-I1010 HydrophobicContact CG-CG2 3.65Å; I999-I1010 HydrophobicContact CD1-CD1 4.43Å; I999-I1010 HydrophobicContact CG2-CD1 4.28Å; I1008-I1010 HydrophobicContact CG2-CD1 4.3Å; I1008-I1010 HydrophobicContact CG2-CG1 3.93Å; I1010-L1021 HydrophobicContact CD1-CB 4.26Å; I1010-L1021 HydrophobicContact CD1-CD1 3.67Å
1011T90.8Very high85.6Confident0 Ų032.9 Ų32.90%016%0.163CC..EExtended strand (participates in β ladder)trans-93.7140.1156.952.90000108.5L856 K864 I868 L980 D981 E982 P983L856-T1011 HydrophobicContact CB-CG2 3.82Å; L856-T1011 HydrophobicContact CD1-CG2 3.94Å; K864-T1011 HydrophobicContact CB-CG2 3.78Å; K864-T1011 HydrophobicContact CD-CG2 4.46Å; K864-T1011 HydrophobicContact CG-CG2 4.41Å; I868-T1011 HydrophobicContact CD1-CG2 3.55Å; I868-T1011 HydrophobicContact CG1-CG2 4.28Å; L980-T1011 PolarHBondContact O-N 3.21Å; D981-T1011 VanDerWaalsContact CA-OG1 3.24Å; D981-T1011 WeakPolarHBondContact CA-OG1 3.29Å; D981-T1011 PolarHBondContact OD1-OG1 2.92Å; E982-T1011 WeakPolarHBondContact CA-O 3.47Å; E982-T1011 PolarHBondContact N-O 3.01Å; E982-T1011 PolarHBondContact N-OG1 3.23Å; P983-T1011 WeakPolarHBondContact CD-O 3.47Å
1012T86.1Confident85.6Confident0 Ų026.2 Ų26.20%014%0.136CC..  trans-150.1163.6172.2-169.40000111.9L856 L857 K864 E982 H1014 E1017 A1018L856-T1012 PolarHBondContact O-N 2.87Å; L857-T1012 HydrophobicContact CD2-CG2 3.78Å; K864-T1012 PolarHBondContact NZ-O 3.23Å; E982-T1012 VanDerWaalsContact OE1-C 3.31Å; E982-T1012 WeakPolarHBondContact OE1-CA 3.47Å; T1012-H1014 WeakPolarHBondContact CG2-O 3.43Å; T1012-H1014 PolarHBondContact OG1-N 2.79Å; T1012-E1017 WeakPolarHBondContact CB-OE2 3.38Å; T1012-E1017 HydrophobicContact CG2-CB 4.29Å; T1012-E1017 HydrophobicContact CG2-CG 4.29Å; T1012-E1017 PolarHBondContact OG1-OE2 3.37Å; T1012-A1018 HydrophobicContact CG2-CB 4.29Å
1013H77.9Confident85.7Confident25 Ų2527 Ų2712%0.11614%0.14CC..SBendtrans-110.9-6.6165.6-81.1-72.1000112.6G858 K864 E982G858-H1013 PolarHBondContact O-CE1 2.94Å; G858-H1013 PolarHBondContact O-ND1 3.04Å; K864-H1013 PolarHBondContact NZ-CD2 3.21Å; K864-H1013 VanDerWaalsContact NZ-CD2 3.34Å; K864-H1013 PolarHBondContact NZ-CE1 2.67Å; K864-H1013 PolarHBondContact NZ-ND1 2.71Å; K864-H1013 PolarHBondContact NZ-NE2 3.26Å; E982-H1013 IonicContact OE1-CD2 2.88Å; E982-H1013 PolarHBondContact OE1-CD2 2.88Å; E982-H1013 IonicContact OE1-CG 3.72Å; E982-H1013 PolarHBondContact OE1-N 2.8Å; E982-H1013 IonicContact OE2-CD2 3.46Å
1014H77.9Confident85.7Confident31 Ų3126 Ų2614%0.14414%0.135CC..  trans-87.2122.6175.5-68-78.2000110.1T1012 E1017 A1018T1012-H1014 WeakPolarHBondContact CG2-O 3.43Å; T1012-H1014 PolarHBondContact OG1-N 2.79Å; H1014-E1017 HydrophobicContact CB-CB 3.82Å; H1014-E1017 PolarHBondContact O-N 3.38Å; H1014-A1018 PolarHBondContact O-N 3.1Å
1015M80.2Confident86Confident10 Ų1019.8 Ų19.85%0.04910%0.103CC..Hα-helixtrans-72.9-40.9-176.6-67.3-71157.400111.5L857 E1017 A1018 D1019 L1155 E1156 F1159 P2129L857-M1015 HydrophobicContact CD1-CE 4.14Å; L857-M1015 HydrophobicContact CD1-SD 3.68Å; L857-M1015 HydrophobicContact CD2-CE 3.99Å; L857-M1015 HydrophobicContact CD2-SD 4.14Å; M1015-E1017 PolarHBondContact O-N 3.44Å; M1015-A1018 CarbonylContact O-C 3.56Å; M1015-A1018 WeakPolarHBondContact O-CA 3.32Å; M1015-A1018 WeakPolarHBondContact O-CB 3.36Å; M1015-A1018 PolarHBondContact O-N 2.76Å; M1015-D1019 PolarHBondContact O-N 3.26Å; M1015-L1155 HydrophobicContact SD-CD2 3.73Å; M1015-E1156 HydrophobicContact CB-CB 4.07Å; M1015-E1156 HydrophobicContact CG-CB 3.66Å; M1015-E1156 HydrophobicContact CG-CG 3.89Å; M1015-F1159 HydrophobicContact CE-CB 3.61Å; M1015-F1159 HydrophobicContact CE-CD1 3.49Å; M1015-F1159 VanDerWaalsContact CE-CD1 3.49Å; M1015-F1159 HydrophobicContact CE-CD2 3.71Å; M1015-F1159 HydrophobicContact CE-CE1 4.09Å; M1015-F1159 HydrophobicContact CE-CE2 4.29Å; M1015-F1159 HydrophobicContact CE-CG 3.27Å; M1015-F1159 HydrophobicContact CE-CZ 4.46Å; M1015-F1159 HydrophobicContact SD-CB 3.82Å; M1015-F1159 HydrophobicContact SD-CG 4.17Å; M1015-P2129 HydrophobicContact CE-CG 4.17Å
1016D78.7Confident86.2Confident57 Ų5713.1 Ų13.131%0.3057%0.067SC..Hα-helixtrans-59.6-34.4174-583.9000112.6W996 A1018 D1019 I1020W996-D1016 HydrophobicContact CH2-CB 4.28Å; D1016-A1018 VanDerWaalsContact C-N 3.31Å; D1016-A1018 PolarHBondContact O-N 3.07Å; D1016-D1019 PolarHBondContact O-N 2.92Å; D1016-I1020 VanDerWaalsContact O-CB 3.32Å; D1016-I1020 WeakPolarHBondContact O-CB 3.25Å; D1016-I1020 WeakPolarHBondContact O-CG1 3.25Å; D1016-I1020 PolarHBondContact O-N 3.32Å
1017E83.7Confident86.2Confident0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-65.4-37174.2-179.4161-117.800111.4T984 W996 T1012 H1014 M1015 L1021T984-E1017 WeakPolarHBondContact CG2-OE1 3.39Å; T984-E1017 PolarHBondContact OG1-OE1 3.37Å; T984-E1017 PolarHBondContact OG1-OE2 3.14Å; W996-E1017 HydrophobicContact CZ2-CB 3.71Å; W996-E1017 HydrophobicContact CZ2-CG 4.23Å; W996-E1017 PolarHBondContact NE1-OE1 3.3Å; T1012-E1017 WeakPolarHBondContact CB-OE2 3.38Å; T1012-E1017 HydrophobicContact CG2-CB 4.29Å; T1012-E1017 HydrophobicContact CG2-CG 4.29Å; T1012-E1017 PolarHBondContact OG1-OE2 3.37Å; H1014-E1017 HydrophobicContact CB-CB 3.82Å; H1014-E1017 PolarHBondContact O-N 3.38Å; M1015-E1017 PolarHBondContact O-N 3.44Å; E1017-L1021 HydrophobicContact CG-CD1 4.15Å; E1017-L1021 VanDerWaalsContact O-CB 3.29Å; E1017-L1021 WeakPolarHBondContact O-CB 3.42Å; E1017-L1021 PolarHBondContact O-N 3.48Å
1018A86.5Confident85.9Confident0 Ų011.9 Ų11.90%06%0.062CC..Hα-helixtrans-75.7-37.3174.600000112.7L857 T1012 H1014 M1015 D1016 I1020 G1022 I1025L857-A1018 HydrophobicContact CD1-CB 3.92Å; L857-A1018 HydrophobicContact CD2-CB 3.91Å; L857-A1018 HydrophobicContact CG-CB 4.1Å; T1012-A1018 HydrophobicContact CG2-CB 4.29Å; H1014-A1018 PolarHBondContact O-N 3.1Å; M1015-A1018 CarbonylContact O-C 3.56Å; M1015-A1018 WeakPolarHBondContact O-CA 3.32Å; M1015-A1018 WeakPolarHBondContact O-CB 3.36Å; M1015-A1018 PolarHBondContact O-N 2.76Å; D1016-A1018 VanDerWaalsContact C-N 3.31Å; D1016-A1018 PolarHBondContact O-N 3.07Å; A1018-I1020 VanDerWaalsContact C-N 3.3Å; A1018-I1020 PolarHBondContact O-N 3.41Å; A1018-G1022 VanDerWaalsContact O-CA 3.24Å; A1018-G1022 WeakPolarHBondContact O-CA 3.15Å; A1018-G1022 PolarHBondContact O-N 3.31Å; A1018-I1025 HydrophobicContact CB-CD1 4.13Å; A1018-I1025 HydrophobicContact CB-CG1 4.36Å; A1018-I1025 WeakPolarHBondContact O-CD1 3.49Å
1019D83.4Confident85.4Confident25 Ų2512.1 Ų12.113%0.1346%0.064CC..Hα-helixtrans-62.4-35.3174.8-166.926.9000111.6M1015 D1016 S1039 K1043 R2262M1015-D1019 PolarHBondContact O-N 3.26Å; D1016-D1019 PolarHBondContact O-N 2.92Å; D1019-S1039 VanDerWaalsContact OD1-CB 3.29Å; D1019-S1039 WeakPolarHBondContact OD1-CB 3.36Å; D1019-S1039 PolarHBondContact OD1-OG 2.72Å; D1019-K1043 IonicContact OD1-NZ 3.42Å; D1019-K1043 IonicContact OD2-NZ 3.83Å; D1019-K1043 PolarHBondContact OD2-NZ 3.13Å; D1019-R2262 IonicContact OD2-CZ 3.19Å; D1019-R2262 IonicContact OD2-NH1 3.58Å; D1019-R2262 PolarHBondContact OD2-NH1 3.04Å; D1019-R2262 IonicContact OD2-NH2 2.78Å; D1019-R2262 PolarHBondContact OD2-NH2 2.85Å
1020I81.1Confident84.7Confident56 Ų5616.6 Ų16.629%0.2878%0.084SC..Hα-helixtrans-96.6-40.1-174.6-64.9167.9000113.5W996 D1016 A1018W996-I1020 HydrophobicContact CE3-CD1 4.21Å; W996-I1020 HydrophobicContact CE3-CG2 4.06Å; W996-I1020 HydrophobicContact CH2-CD1 4.04Å; W996-I1020 HydrophobicContact CZ3-CB 4.45Å; W996-I1020 HydrophobicContact CZ3-CD1 3.48Å; W996-I1020 VanDerWaalsContact CZ3-CD1 3.48Å; W996-I1020 HydrophobicContact CZ3-CG2 4.4Å; D1016-I1020 VanDerWaalsContact O-CB 3.32Å; D1016-I1020 WeakPolarHBondContact O-CB 3.25Å; D1016-I1020 WeakPolarHBondContact O-CG1 3.25Å; D1016-I1020 PolarHBondContact O-N 3.32Å; A1018-I1020 VanDerWaalsContact C-N 3.3Å; A1018-I1020 PolarHBondContact O-N 3.41Å
1021L84.2Confident84.1Confident1 Ų116.6 Ų16.61%0.0059%0.085CC..Hα-helixtrans-94.3-20.9178.7-68-175.2000114.4I853 W996 I999 L1000 I1010 E1017 D1023I853-L1021 VanDerWaalsContact CB-O 3.22Å; I853-L1021 WeakPolarHBondContact CB-O 3.41Å; I853-L1021 HydrophobicContact CG2-CB 4.48Å; I853-L1021 VanDerWaalsContact CG2-O 3.22Å; I853-L1021 WeakPolarHBondContact CG2-O 3.48Å; W996-L1021 HydrophobicContact CB-CD1 4.38Å; W996-L1021 HydrophobicContact CB-CD2 3.86Å; W996-L1021 HydrophobicContact CB-CG 4.24Å; W996-L1021 HydrophobicContact CG-CD1 4.07Å; W996-L1021 HydrophobicContact CG-CD2 4.27Å; W996-L1021 HydrophobicContact CG-CG 4.1Å; I999-L1021 HydrophobicContact CB-CD1 4.48Å; I999-L1021 HydrophobicContact CD1-CD1 3.89Å; I999-L1021 HydrophobicContact CG2-CD1 4.31Å; I999-L1021 HydrophobicContact CG2-CD2 4.41Å; L1000-L1021 HydrophobicContact CD1-CD2 4.03Å; L1000-L1021 HydrophobicContact CD2-CD2 3.84Å; L1000-L1021 HydrophobicContact CG-CD2 3.62Å; I1010-L1021 HydrophobicContact CD1-CB 4.26Å; I1010-L1021 HydrophobicContact CD1-CD1 3.67Å; E1017-L1021 HydrophobicContact CG-CD1 4.15Å; E1017-L1021 VanDerWaalsContact O-CB 3.29Å; E1017-L1021 WeakPolarHBondContact O-CB 3.42Å; E1017-L1021 PolarHBondContact O-N 3.48Å; L1021-D1023 PolarHBondContact O-N 2.95Å
1022G85.3Confident83.8Confident7 Ų721.9 Ų21.97%0.07211%0.108CC..  trans-86.189.6-169.800000113.3S855 A1018 R1024S855-G1022 WeakPolarHBondContact OG-CA 3.27Å; A1018-G1022 VanDerWaalsContact O-CA 3.24Å; A1018-G1022 WeakPolarHBondContact O-CA 3.15Å; A1018-G1022 PolarHBondContact O-N 3.31Å; G1022-R1024 PolarHBondContact O-N 3.16Å; G1022-R1024 VanDerWaalsContact O-N 3.17Å
1023D85.7Confident83.8Confident28 Ų2823.1 Ų23.115%0.1511%0.114CC..SBendtrans-51.7-37.2166-55.3-49.4000110.4Q852 I853 K1003 L1021 S1038 Q2226Q852-D1023 WeakPolarHBondContact CA-OD2 3.33Å; Q852-D1023 HydrophobicContact CB-CB 4.44Å; Q852-D1023 HydrophobicContact CG-CB 4.49Å; I853-D1023 PolarHBondContact N-OD2 3.2Å; I853-D1023 PolarHBondContact O-N 3.18Å; K1003-D1023 WeakPolarHBondContact CE-OD2 3.29Å; K1003-D1023 IonicContact NZ-OD1 3.87Å; K1003-D1023 PolarHBondContact NZ-OD1 2.97Å; K1003-D1023 IonicContact NZ-OD2 2.84Å; K1003-D1023 PolarHBondContact NZ-OD2 3.43Å; L1021-D1023 PolarHBondContact O-N 2.95Å; D1023-S1038 VanDerWaalsContact O-CB 3.31Å; D1023-S1038 WeakPolarHBondContact O-CB 3.2Å; D1023-Q2226 PolarHBondContact OD1-NE2 3.2Å; D1023-Q2226 PolarHBondContact OD1-OE1 3.48Å
1024R87.8Confident84.1Confident8 Ų824.3 Ų24.33%0.0312%0.119CC..EExtended strand (participates in β ladder)trans-133140.9166.5-69.1-172.6156.5-124.5-16111.8E814 S815 N816 I853 T854 S855 G1022 Y1036E814-R1024 PolarHBondContact O-NH1 2.94Å; E814-R1024 PolarHBondContact O-NH2 3.08Å; E814-R1024 IonicContact OE2-CZ 3.16Å; E814-R1024 IonicContact OE2-NH2 2.66Å; E814-R1024 PolarHBondContact OE2-NH2 3.4Å; S815-R1024 VanDerWaalsContact C-NH2 3.35Å; S815-R1024 PolarHBondContact O-NH2 2.82Å; N816-R1024 PolarHBondContact OD1-NE 3.05Å; N816-R1024 PolarHBondContact OD1-NH2 2.74Å; I853-R1024 PolarHBondContact O-N 3.47Å; T854-R1024 CarbonylContact C-O 3.57Å; T854-R1024 WeakPolarHBondContact CA-O 3.32Å; T854-R1024 HydrophobicContact CG2-CB 4.49Å; S855-R1024 PolarHBondContact N-O 3.39Å; G1022-R1024 PolarHBondContact O-N 3.16Å; G1022-R1024 VanDerWaalsContact O-N 3.17Å; R1024-Y1036 HydrophobicContact CB-CE2 3.78Å; R1024-Y1036 WeakPolarHBondContact CD-OH 3.07Å
1025I90.8Very high84.5Confident0 Ų022.8 Ų22.80%011%0.112CC..EExtended strand (participates in β ladder)trans-118.9131.7-178.3-59.2174.6000108.8S855 L857 A1018 I1027 Y1036 G1037 L1042 L1155S855-I1025 CarbonylContact O-C 3.52Å; S855-I1025 WeakPolarHBondContact O-CA 3.44Å; L857-I1025 HydrophobicContact CD1-CG2 3.46Å; L857-I1025 VanDerWaalsContact CD1-CG2 3.46Å; L857-I1025 HydrophobicContact CG-CG2 4.01Å; A1018-I1025 HydrophobicContact CB-CD1 4.13Å; A1018-I1025 HydrophobicContact CB-CG1 4.36Å; A1018-I1025 WeakPolarHBondContact O-CD1 3.49Å; I1025-I1027 HydrophobicContact CG2-CG1 4.48Å; I1025-Y1036 WeakPolarHBondContact O-CA 3.2Å; I1025-Y1036 WeakPolarHBondContact O-CD2 3.4Å; I1025-G1037 WeakPolarHBondContact CA-O 3.44Å; I1025-G1037 WeakPolarHBondContact CB-O 3.31Å; I1025-G1037 PolarHBondContact N-O 3.3Å; I1025-G1037 PolarHBondContact O-N 3.36Å; I1025-L1042 HydrophobicContact CB-CD1 3.9Å; I1025-L1042 HydrophobicContact CG2-CD1 3.99Å; I1025-L1155 HydrophobicContact CD1-CD1 3.52Å; I1025-L1155 HydrophobicContact CD1-CD2 4.3Å
1026A89.7Confident84.9Confident0 Ų022.9 Ų22.90%011%0.112CC..EExtended strand (participates in β ladder)trans-121115.3179.200000109.9I846 S855 L856 L857 L1033 Y1036I846-A1026 HydrophobicContact CD1-CB 3.8Å; S855-A1026 PolarHBondContact O-N 2.99Å; L856-A1026 HydrophobicContact CD2-CB 3.95Å; L857-A1026 PolarHBondContact N-O 3.35Å; A1026-L1033 HydrophobicContact CB-CD1 3.94Å; A1026-Y1036 HydrophobicContact CB-CD2 3.74Å; A1026-Y1036 HydrophobicContact CB-CE2 4.24Å
1027I89.1Confident85.3Confident1 Ų120.1 Ų20.11%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-93.5121.1178.7-55.6-173.4000109.6L857 I1025 K1034 C1035 F1159 I1162L857-I1027 HydrophobicContact CB-CG1 4.26Å; L857-I1027 HydrophobicContact CD1-CG1 4.47Å; I1025-I1027 HydrophobicContact CG2-CG1 4.48Å; I1027-K1034 PolarHBondContact O-N 3.46Å; I1027-C1035 PolarHBondContact N-O 2.93Å; I1027-C1035 VanDerWaalsContact N-O 3.12Å; I1027-F1159 HydrophobicContact CD1-CD2 4.35Å; I1027-F1159 HydrophobicContact CG2-CD2 3.92Å; I1027-F1159 HydrophobicContact CG2-CE2 4.04Å; I1027-I1162 HydrophobicContact CD1-CD1 4.29Å; I1027-I1162 HydrophobicContact CG2-CG2 4.41Å
1028I86.1Confident85.3Confident0 Ų020.8 Ų20.80%010%0.102CC..EExtended strand (participates in β ladder)trans-110.8129.1176.9-61.4-177.6000110.3L844 L856 L857 G858 S862 K1032 L1033L844-I1028 HydrophobicContact CD1-CD1 4.13Å; L844-I1028 HydrophobicContact CD2-CD1 4.37Å; L856-I1028 HydrophobicContact CD2-CD1 3.71Å; L856-I1028 HydrophobicContact CD2-CG1 4.43Å; L857-I1028 PolarHBondContact O-N 3.39Å; G858-I1028 WeakPolarHBondContact CA-O 3.41Å; S862-I1028 WeakPolarHBondContact CB-O 3.11Å; S862-I1028 WeakPolarHBondContact O-CG2 3.48Å; I1028-K1032 CarbonylContact C-O 3.58Å; I1028-K1032 VanDerWaalsContact CA-O 3.27Å; I1028-K1032 WeakPolarHBondContact CA-O 3.27Å; I1028-K1032 WeakPolarHBondContact CG2-O 3.24Å; I1028-L1033 HydrophobicContact CG1-CD1 4.37Å
1029S82.1Confident85.2Confident5 Ų521.2 Ų21.24%0.03511%0.105CC..EExtended strand (participates in β ladder)trans-133.4139.8171.7-1710000110.2G1031 K1032S1029-G1031 PolarHBondContact O-N 3.35Å; S1029-K1032 PolarHBondContact N-O 3.49Å; S1029-K1032 PolarHBondContact O-N 3.43Å
1030Q78.1Confident85.1Confident94 Ų9420.5 Ų20.544%0.43910%0.101SC..THydrogen-bonded Turntrans50.329.7-178.4-51.1-165.450.900115.4H859H859-Q1030 PolarHBondContact NE2-N 2.98Å
1031G80.8Confident85.3Confident1 Ų119.7 Ų19.71%0.0110%0.095CC..THydrogen-bonded Turntrans83.73.3-178.600000115.7D842 S862 S1029D842-G1031 PolarHBondContact N-O 3.01Å; S862-G1031 VanDerWaalsContact O-CA 3.29Å; S862-G1031 WeakPolarHBondContact O-CA 3.28Å; S862-G1031 PolarHBondContact O-N 3.4Å; S1029-G1031 PolarHBondContact O-N 3.35Å
1032K83.9Confident85.3Confident111 Ų11119.6 Ų19.648%0.48310%0.095SC..EExtended strand (participates in β ladder)trans-115.5151.4177.8-62.4-166.7176.8-169.20112D842 I1028 S1029D842-K1032 HydrophobicContact CB-CG 4.17Å; D842-K1032 WeakPolarHBondContact OD2-CE 3.45Å; D842-K1032 IonicContact OD2-NZ 3.3Å; D842-K1032 PolarHBondContact OD2-NZ 3.28Å; I1028-K1032 CarbonylContact C-O 3.58Å; I1028-K1032 VanDerWaalsContact CA-O 3.27Å; I1028-K1032 WeakPolarHBondContact CA-O 3.27Å; I1028-K1032 WeakPolarHBondContact CG2-O 3.24Å; S1029-K1032 PolarHBondContact N-O 3.49Å; S1029-K1032 PolarHBondContact O-N 3.43Å
1033L86.8Confident85.2Confident26 Ų2620 Ų2014%0.13610%0.095CC..EExtended strand (participates in β ladder)trans-72.4138.6168.9-171.867.5000109.7L811 L844 I846 A1026 I1028L811-L1033 HydrophobicContact CD2-CD2 4.45Å; L811-L1033 HydrophobicContact CD2-CG 4.5Å; L844-L1033 HydrophobicContact CD1-CB 4.21Å; I846-L1033 HydrophobicContact CD1-CD1 4.45Å; A1026-L1033 HydrophobicContact CB-CD1 3.94Å; I1028-L1033 HydrophobicContact CG1-CD1 4.37Å
1034K85.3Confident84.9Confident49 Ų4921.1 Ų21.121%0.21311%0.105CC..EExtended strand (participates in β ladder)trans-109.2-43177.6-78.6-78.4-167.5160.20112.7I1027 I1162 D1165I1027-K1034 PolarHBondContact O-N 3.46Å; K1034-I1162 HydrophobicContact CB-CG2 3.89Å; K1034-I1162 HydrophobicContact CG-CG2 4.43Å; K1034-D1165 WeakPolarHBondContact CE-OD2 3.42Å; K1034-D1165 IonicContact NZ-OD2 3.54Å; K1034-D1165 PolarHBondContact NZ-OD2 3.26Å
1035C86.1Confident84.5Confident0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-155.4158.5174.557.70000110.6C812 I1027 L1042 Y1046C812-C1035 WeakPolarHBondContact O-CA 3.34Å; I1027-C1035 PolarHBondContact N-O 2.93Å; I1027-C1035 VanDerWaalsContact N-O 3.12Å; C1035-L1042 HydrophobicContact CB-CD2 4.24Å; C1035-Y1046 HydrophobicContact CB-CE2 4.32Å
1036Y88.1Confident84Confident11 Ų1127 Ų274%0.04314%0.135CC..EExtended strand (participates in β ladder)trans-147.9119.5-178.9-179.5-132.2000112.1C812 V813 E814 E847 T854 R1024 I1025 A1026C812-Y1036 PolarHBondContact O-N 3.02Å; C812-Y1036 VanDerWaalsContact O-N 3.12Å; V813-Y1036 WeakPolarHBondContact CA-O 3.3Å; V813-Y1036 HydrophobicContact CG1-CD1 4.09Å; E814-Y1036 PolarHBondContact N-O 2.9Å; E847-Y1036 PolarHBondContact O-OH 2.81Å; T854-Y1036 HydrophobicContact CG2-CE2 3.9Å; R1024-Y1036 HydrophobicContact CB-CE2 3.78Å; R1024-Y1036 WeakPolarHBondContact CD-OH 3.07Å; I1025-Y1036 WeakPolarHBondContact O-CA 3.2Å; I1025-Y1036 WeakPolarHBondContact O-CD2 3.4Å; A1026-Y1036 HydrophobicContact CB-CD2 3.74Å; A1026-Y1036 HydrophobicContact CB-CE2 4.24Å
1037G86.4Confident83.2Confident0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans171.4176.7178.500000112.9E814 I1025E814-G1037 WeakPolarHBondContact OE2-CA 3.25Å; I1025-G1037 WeakPolarHBondContact CA-O 3.44Å; I1025-G1037 WeakPolarHBondContact CB-O 3.31Å; I1025-G1037 PolarHBondContact N-O 3.3Å; I1025-G1037 PolarHBondContact O-N 3.36Å
1038S84Confident82.6Confident14 Ų1428.8 Ų28.810%0.09815%0.147CC..  trans-66.2159.8177.970.30000113.3E814 D1023 L1040 F1041 L1042 R2196E814-S1038 PolarHBondContact OE2-N 2.76Å; D1023-S1038 VanDerWaalsContact O-CB 3.31Å; D1023-S1038 WeakPolarHBondContact O-CB 3.2Å; S1038-L1040 PolarHBondContact O-N 3.3Å; S1038-F1041 PolarHBondContact O-N 3.35Å; S1038-L1042 PolarHBondContact O-N 3.32Å; S1038-R2196 PolarHBondContact OG-NH1 3.42Å
1039S84.2Confident82.3Confident9 Ų928.9 Ų28.96%0.06315%0.148CC..Hα-helixtrans-53-50.1178.5174.20000113D1019 F1041 L1042 K1043 L1155D1019-S1039 VanDerWaalsContact OD1-CB 3.29Å; D1019-S1039 WeakPolarHBondContact OD1-CB 3.36Å; D1019-S1039 PolarHBondContact OD1-OG 2.72Å; S1039-F1041 VanDerWaalsContact C-N 3.27Å; S1039-F1041 PolarHBondContact O-N 3.12Å; S1039-L1042 PolarHBondContact O-N 2.69Å; S1039-K1043 WeakPolarHBondContact O-CG 3.46Å; S1039-K1043 PolarHBondContact O-N 2.8Å; S1039-L1155 VanDerWaalsContact OG-CD1 3.32Å; S1039-L1155 WeakPolarHBondContact OG-CD1 3.24Å
1040L82.1Confident82.5Confident9 Ų929.4 Ų29.45%0.04715%0.15CC..Hα-helixtrans-66.7-30.4-174.3-150.770.8000112.3S1038 S1044 D2194 R2196 Y2229 H2258S1038-L1040 PolarHBondContact O-N 3.3Å; L1040-S1044 PolarHBondContact O-N 2.96Å; L1040-S1044 PolarHBondContact O-OG 3.35Å; L1040-D2194 HydrophobicContact CD1-CB 4.36Å; L1040-R2196 HydrophobicContact CD2-CB 3.59Å; L1040-Y2229 HydrophobicContact CD2-CE2 4.16Å; L1040-H2258 HydrophobicContact CD2-CB 3.78Å; L1040-H2258 WeakPolarHBondContact CD2-O 3.45Å; L1040-H2258 HydrophobicContact CG-CB 3.88Å
1041F84.4Confident82.9Confident39 Ų3926 Ų2617%0.17113%0.133CC..Hα-helixtrans-69.4-40.2170.4170.1-99.2000112.5E814 S1038 S1039 S1044 T1045 H2258E814-F1041 HydrophobicContact CB-CD1 4.14Å; E814-F1041 HydrophobicContact CB-CE1 4.07Å; E814-F1041 HydrophobicContact CB-CZ 4.42Å; S1038-F1041 PolarHBondContact O-N 3.35Å; S1039-F1041 VanDerWaalsContact C-N 3.27Å; S1039-F1041 PolarHBondContact O-N 3.12Å; F1041-S1044 PolarHBondContact O-OG 3.43Å; F1041-T1045 HydrophobicContact CD2-CG2 4.17Å; F1041-T1045 HydrophobicContact CE2-CG2 3.82Å; F1041-T1045 HydrophobicContact CZ-CG2 4.07Å; F1041-T1045 WeakPolarHBondContact O-CB 3.17Å; F1041-T1045 WeakPolarHBondContact O-CG2 3.45Å; F1041-T1045 PolarHBondContact O-N 2.92Å; F1041-T1045 VanDerWaalsContact O-N 3.08Å; F1041-T1045 PolarHBondContact O-OG1 2.74Å; F1041-H2258 AromaticContact CD2-NE2 3.96Å
1042L84.6Confident83.1Confident0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-69-35.3175.1-66.7174.6000111.8I1025 C1035 S1038 S1039 Y1046I1025-L1042 HydrophobicContact CB-CD1 3.9Å; I1025-L1042 HydrophobicContact CG2-CD1 3.99Å; C1035-L1042 HydrophobicContact CB-CD2 4.24Å; S1038-L1042 PolarHBondContact O-N 3.32Å; S1039-L1042 PolarHBondContact O-N 2.69Å; L1042-Y1046 HydrophobicContact CD2-CD2 4.1Å; L1042-Y1046 HydrophobicContact CD2-CE2 4.09Å; L1042-Y1046 WeakPolarHBondContact O-CB 3.14Å; L1042-Y1046 PolarHBondContact O-N 2.76Å
1043K83Confident83.1Confident16 Ų1621.4 Ų21.47%0.0711%0.113CC..Hα-helixtrans-67.5-41174.1-71.3-178.1-180-172.80112.8D1019 S1039 G1047 D1152 I1158D1019-K1043 IonicContact OD1-NZ 3.42Å; D1019-K1043 IonicContact OD2-NZ 3.83Å; D1019-K1043 PolarHBondContact OD2-NZ 3.13Å; S1039-K1043 WeakPolarHBondContact O-CG 3.46Å; S1039-K1043 PolarHBondContact O-N 2.8Å; K1043-G1047 WeakPolarHBondContact O-CA 3.49Å; K1043-G1047 PolarHBondContact O-N 3.16Å; K1043-D1152 IonicContact NZ-OD2 3.2Å; K1043-D1152 PolarHBondContact NZ-OD2 2.83Å; K1043-I1158 HydrophobicContact CB-CD1 4.23Å; K1043-I1158 HydrophobicContact CG-CD1 3.75Å
1044S78.5Confident82.9Confident51 Ų5120.2 Ų20.236%0.35711%0.107SC..Hα-helixtrans-71-34.4176.564.50000113.2L1040 F1041 H2258L1040-S1044 PolarHBondContact O-N 2.96Å; L1040-S1044 PolarHBondContact O-OG 3.35Å; F1041-S1044 PolarHBondContact O-OG 3.43Å; S1044-H2258 PolarHBondContact OG-CD2 2.9Å; S1044-H2258 PolarHBondContact OG-CE1 3.48Å; S1044-H2258 VanDerWaalsContact OG-CE1 3.22Å; S1044-H2258 PolarHBondContact OG-NE2 2.91Å
1045T80.6Confident82.5Confident63 Ų6318.2 Ų18.239%0.38710%0.098SC..Hα-helixtrans-89-28.3-175.652.30000115.1F1041F1041-T1045 HydrophobicContact CD2-CG2 4.17Å; F1041-T1045 HydrophobicContact CE2-CG2 3.82Å; F1041-T1045 HydrophobicContact CZ-CG2 4.07Å; F1041-T1045 WeakPolarHBondContact O-CB 3.17Å; F1041-T1045 WeakPolarHBondContact O-CG2 3.45Å; F1041-T1045 PolarHBondContact O-N 2.92Å; F1041-T1045 VanDerWaalsContact O-N 3.08Å; F1041-T1045 PolarHBondContact O-OG1 2.74Å
1046Y80.5Confident81.9Confident69 Ų6921.8 Ų21.827%0.27111%0.112SC..Hα-helixtrans-127.71.2-176.9-61.5-77.6000114.4C812 C1035 L1042 I1162C812-Y1046 HydrophobicContact CB-CE2 4.47Å; C812-Y1046 WeakPolarHBondContact CB-OH 3.45Å; C812-Y1046 PolarHBondContact SG-OH 2.77Å; C1035-Y1046 HydrophobicContact CB-CE2 4.32Å; L1042-Y1046 HydrophobicContact CD2-CD2 4.1Å; L1042-Y1046 HydrophobicContact CD2-CE2 4.09Å; L1042-Y1046 WeakPolarHBondContact O-CB 3.14Å; L1042-Y1046 PolarHBondContact O-N 2.76Å; Y1046-I1162 HydrophobicContact CD1-CD1 3.93Å; Y1046-I1162 HydrophobicContact CD1-CG1 4.19Å; Y1046-I1162 HydrophobicContact CD2-CD1 3.73Å; Y1046-I1162 HydrophobicContact CE1-CD1 4.19Å; Y1046-I1162 HydrophobicContact CE1-CG1 4.41Å; Y1046-I1162 HydrophobicContact CE2-CD1 3.99Å; Y1046-I1162 HydrophobicContact CG-CD1 3.68Å; Y1046-I1162 HydrophobicContact CG-CG1 4.38Å
1047G73.4Confident80.8Confident17 Ų1726.7 Ų26.718%0.17514%0.135CC..  trans-65160.8175.900000113.1K1043 T1153K1043-G1047 WeakPolarHBondContact O-CA 3.49Å; K1043-G1047 PolarHBondContact O-N 3.16Å; G1047-T1153 WeakPolarHBondContact CA-OG1 3.07Å
1048Q74.7Confident79.4Confident20 Ų2029.5 Ų29.59%0.09315%0.15CC..  trans-116.9-9.7-172.3-89.8-167.367.500114.8R1106 T1153 N1161 T1248Q1048-R1106 VanDerWaalsContact CB-NH2 3.34Å; Q1048-R1106 VanDerWaalsContact O-CZ 3.31Å; Q1048-R1106 PolarHBondContact O-NE 3.08Å; Q1048-R1106 PolarHBondContact O-NH2 3Å; Q1048-R1106 VanDerWaalsContact OE1-NH2 3.13Å; Q1048-T1153 HydrophobicContact CB-CG2 3.83Å; Q1048-T1153 PolarHBondContact N-OG1 2.96Å; Q1048-N1161 PolarHBondContact NE2-ND2 3.17Å; Q1048-N1161 PolarHBondContact NE2-OD1 3.49Å; Q1048-T1248 VanDerWaalsContact OE1-CG2 3.32Å
1049G81.3Confident77.5Confident2 Ų237.5 Ų37.52%0.02119%0.186CC..  trans146.4-160.1-177.500000113.6I1107 T1153G1049-I1107 CarbonylContact C-O 3.6Å; G1049-I1107 WeakPolarHBondContact CA-O 3.14Å; G1049-T1153 WeakPolarHBondContact O-CG2 3.5Å; G1049-T1153 PolarHBondContact O-N 3Å
1050Y85.3Confident75.5Confident17 Ų1744 Ų447%0.06722%0.219CC..EExtended strand (participates in β ladder)trans-116.4160.7163.4-77-111.8000109.3I1107 I1112 L1150 T1151 D1152 F2244 S2260 V2261Y1050-I1107 PolarHBondContact N-O 3.49Å; Y1050-I1107 PolarHBondContact O-N 3.41Å; Y1050-I1112 HydrophobicContact CD2-CD1 3.34Å; Y1050-I1112 HydrophobicContact CE2-CD1 3.37Å; Y1050-I1112 HydrophobicContact CG-CD1 4.48Å; Y1050-L1150 HydrophobicContact CD1-CD1 4.3Å; Y1050-L1150 HydrophobicContact CD1-CD2 4.29Å; Y1050-L1150 HydrophobicContact CD1-CG 4.13Å; Y1050-T1151 CarbonylContact C-O 3.24Å; Y1050-T1151 VanDerWaalsContact CA-O 3.28Å; Y1050-T1151 WeakPolarHBondContact CA-O 3.31Å; Y1050-T1151 WeakPolarHBondContact CB-O 3.44Å; Y1050-T1151 WeakPolarHBondContact CD1-O 3.38Å; Y1050-D1152 HydrophobicContact CD1-CB 4.28Å; Y1050-D1152 HydrophobicContact CE1-CB 4.02Å; Y1050-F2244 HydrophobicContact CE1-CZ 4.43Å; Y1050-S2260 WeakPolarHBondContact OH-CA 3.18Å; Y1050-V2261 HydrophobicContact CE1-CB 4.34Å; Y1050-V2261 VanDerWaalsContact CE1-O 3.27Å; Y1050-V2261 WeakPolarHBondContact CE1-O 3.44Å; Y1050-V2261 PolarHBondContact OH-N 3.46Å
1051Y85.8Confident73.4Confident22 Ų2249.3 Ų49.39%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-116.5125.8178-57.1-56000110.9I1096 Y1105 R1106 L1150 T1151 T1153 E1157Y1051-I1096 HydrophobicContact CD1-CD1 3.47Å; Y1051-I1096 VanDerWaalsContact CD1-CD1 3.47Å; Y1051-I1096 HydrophobicContact CE1-CD1 3.32Å; Y1051-I1096 HydrophobicContact CG-CD1 4.48Å; Y1051-Y1105 CarbonylContact C-O 3.59Å; Y1051-Y1105 VanDerWaalsContact CA-O 3.28Å; Y1051-Y1105 WeakPolarHBondContact CA-O 3.49Å; Y1051-R1106 HydrophobicContact CD1-CB 4.07Å; Y1051-R1106 HydrophobicContact CD1-CG 4.2Å; Y1051-R1106 HydrophobicContact CE1-CB 4.01Å; Y1051-R1106 HydrophobicContact CE1-CG 3.81Å; Y1051-L1150 WeakPolarHBondContact O-CA 3.22Å; Y1051-T1151 PolarHBondContact N-O 3.18Å; Y1051-T1151 PolarHBondContact O-N 3.33Å; Y1051-T1153 HydrophobicContact CE2-CG2 3.66Å; Y1051-T1153 WeakPolarHBondContact OH-CG2 3.29Å; Y1051-E1157 VanDerWaalsContact CE2-OE2 3.27Å; Y1051-E1157 WeakPolarHBondContact CE2-OE2 3.36Å; Y1051-E1157 PolarHBondContact OH-OE1 2.65Å; Y1051-E1157 PolarHBondContact OH-OE2 2.85Å
1052L85.6Confident70.9Confident0 Ų055.7 Ų55.70%028%0.283CS..EExtended strand (participates in β ladder)trans-100.2122.3175.9-169.979.3000108.2L1086 Y1105 I1107 L1120 F1121 F1124 C1148 L1150L1052-L1086 HydrophobicContact CD2-CD2 4.06Å; L1052-Y1105 PolarHBondContact N-O 2.71Å; L1052-Y1105 PolarHBondContact O-N 3.19Å; L1052-I1107 HydrophobicContact CB-CD1 4.12Å; L1052-L1120 HydrophobicContact CD2-CD2 4.13Å; L1052-F1121 HydrophobicContact CD1-CE1 4.15Å; L1052-F1121 HydrophobicContact CD1-CZ 3.74Å; L1052-F1124 HydrophobicContact CD1-CE2 4.47Å; L1052-F1124 HydrophobicContact CD2-CE2 4.3Å; L1052-C1148 VanDerWaalsContact CD1-SG 3.55Å; L1052-L1150 HydrophobicContact CD1-CD1 4.29Å
1053I83.7Confident68.4Low16 Ų1659.2 Ų59.28%0.08232%0.319CS..EExtended strand (participates in β ladder)trans-109.6136.4-178.2-55.2175000108.1M1103 C1148 G1149I1053-M1103 WeakPolarHBondContact CA-O 3.25Å; I1053-C1148 CarbonylContact O-C 3.31Å; I1053-C1148 VanDerWaalsContact O-CA 3.25Å; I1053-C1148 WeakPolarHBondContact O-CA 3.35Å; I1053-C1148 PolarHBondContact O-SG 3.23Å; I1053-C1148 VanDerWaalsContact O-SG 3.37Å; I1053-G1149 PolarHBondContact N-O 3.41Å; I1053-G1149 PolarHBondContact O-N 2.67Å
1054L83.3Confident65.7Low1 Ų166.4 Ų66.41%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-126.5130176.3-61.7169.4000109.5I1082 L1086 E1102 M1103 Y1105 L1136 I1145 S1147 C1148L1054-I1082 HydrophobicContact CD1-CG2 4.42Å; L1054-L1086 HydrophobicContact CD1-CD1 4.26Å; L1054-E1102 CarbonylContact O-C 3.56Å; L1054-E1102 WeakPolarHBondContact O-CA 3.31Å; L1054-M1103 HydrophobicContact CB-CB 4.22Å; L1054-M1103 PolarHBondContact N-O 3.03Å; L1054-M1103 PolarHBondContact O-N 2.86Å; L1054-Y1105 HydrophobicContact CD1-CD2 4.25Å; L1054-Y1105 HydrophobicContact CD1-CE2 4.05Å; L1054-L1136 HydrophobicContact CD2-CD2 4.43Å; L1054-I1145 HydrophobicContact CB-CG2 4.12Å; L1054-I1145 HydrophobicContact CD1-CD1 4.3Å; L1054-I1145 HydrophobicContact CD2-CG2 4.25Å; L1054-S1147 WeakPolarHBondContact CA-O 3.32Å; L1054-C1148 HydrophobicContact CD2-CB 3.78Å; L1054-C1148 VanDerWaalsContact CD2-SG 3.57Å
1055E76.6Confident63.3Low7 Ų769.7 Ų69.73%0.03338%0.381CS..EExtended strand (participates in β ladder)trans-104.5139.1-176.1-176.1170.7-141.800111.5N1101 I1145 I1146 S1147 T2179 Q2181 H2182E1055-N1101 CarbonylContact C-O 3.59Å; E1055-N1101 WeakPolarHBondContact CA-O 3.2Å; E1055-I1145 CarbonylContact O-C 3.52Å; E1055-I1145 VanDerWaalsContact O-CA 3.27Å; E1055-I1145 WeakPolarHBondContact O-CA 3.37Å; E1055-I1145 WeakPolarHBondContact O-CG2 3.26Å; E1055-I1146 PolarHBondContact O-N 2.81Å; E1055-S1147 WeakPolarHBondContact CB-OG 3.38Å; E1055-S1147 PolarHBondContact N-O 3.46Å; E1055-S1147 PolarHBondContact OE2-OG 2.89Å; E1055-T2179 WeakPolarHBondContact OE1-CB 3.4Å; E1055-T2179 PolarHBondContact OE1-OG1 3.38Å; E1055-Q2181 HydrophobicContact CB-CB 4.17Å; E1055-Q2181 HydrophobicContact CB-CG 4.2Å; E1055-Q2181 HydrophobicContact CG-CB 4.31Å; E1055-H2182 VanDerWaalsContact CD-N 3.33Å; E1055-H2182 WeakPolarHBondContact OE1-CB 3.47Å; E1055-H2182 PolarHBondContact OE1-N 3.37Å; E1055-H2182 PolarHBondContact OE2-N 2.04Å; E1055-H2182 VanDerWaalsContact OE2-N 3.15Å
1056R74.2Confident60.8Low74 Ų7472.9 Ų72.928%0.27940%0.401SS..EExtended strand (participates in β ladder)trans-120.5141.6-170.7-160.2-175.373.4111.311.3112.6N1058 Q1100 N1101 G1144R1056-N1058 PolarHBondContact NH2-OD1 2.89Å; R1056-Q1100 PolarHBondContact NE-O 3.4Å; R1056-Q1100 PolarHBondContact NH2-O 3.34Å; R1056-N1101 PolarHBondContact N-O 3.08Å; R1056-G1144 CarbonylContact C-O 3.55Å; R1056-G1144 WeakPolarHBondContact CA-O 3.39Å; R1056-G1144 WeakPolarHBondContact CG-O 3.47Å
1057H65.3Low58.1Low115 Ų11578.2 Ų78.253%0.53243%0.428SS..  trans-80.7142.1178.4-152.736.8000112.5G1144 I1146H1057-G1144 PolarHBondContact N-O 3.1Å; H1057-I1146 HydrophobicContact CB-CD1 3.71Å; H1057-I1146 HydrophobicContact CB-CG1 3.8Å
1058N55.4Low55.9Low59 Ų5983.1 Ų83.132%0.31646%0.46SS..  trans-107.794.7174.7-78.7-26.8000110.1R1056 L1060 N1101R1056-N1058 PolarHBondContact NH2-OD1 2.89Å; N1058-L1060 PolarHBondContact O-N 2.94Å; N1058-L1060 VanDerWaalsContact O-N 3.08Å; N1058-N1101 PolarHBondContact ND2-OD1 2.84Å
1059Q45.8Very low53.6Low181 Ų18190 Ų9085%0.84650%0.496SS*.  trans-70.496.4168.8-71.5177.3-23.500109.9
1060L42.1Very low51.1Low146 Ų14698.3 Ų98.376%0.76453%0.534SS*.  trans-163.738.6172.7-119.2175.6000112.5N1058N1058-L1060 PolarHBondContact O-N 2.94Å; N1058-L1060 VanDerWaalsContact O-N 3.08Å
1061L37.1Very low48.4Very low120 Ų120102.3 Ų102.363%0.62857%0.565SS**SBendtrans-129.9-22.1-175.1-89.6169.5000116.3
1062D31.6Very low45.7Very low174 Ų174109 Ų10993%0.9360%0.602SS**  trans-96.992.3172.9-66.6-46.3000110
1063G33.3Very low43.4Very low74 Ų74114.8 Ų114.876%0.76364%0.637SS**  trans-115.181.1-176.100000112.5
1064D26Very low41.6Very low167 Ų167117.9 Ų117.989%0.89365%0.654SS**  trans-121.852.2171.7-137.75.1000111
1065S27.1Very low39.8Very low119 Ų119121.6 Ų121.683%0.83268%0.676SS**  trans-167.4152.6160.633.90000110.9
1066T28.2Very low38.8Very low131 Ų131127.6 Ų127.680%0.80471%0.709SS**  trans-99.9166.5-179.947.50000112.3
1067E25.3Very low37.9Very low181 Ų181130.9 Ų130.985%0.84673%0.727SS**  trans83.279.6167.8-51-166.8164.400118.2
1068S27Very low37.6Very low119 Ų119128.3 Ų128.383%0.83272%0.718SS**  -170.9142.1116.6370000111.9
1069L25.8Very low38.1Very low165 Ų165127 Ų12786%0.86471%0.709SS**  trans-118.291.6169.6-81.691.8000109.7
1070H28.2Very low39.4Very low177 Ų177122.4 Ų122.482%0.81969%0.69SS**  trans-154.3105.3160.2-91.5-59.8000113.5
1071S28.1Very low40.8Very low100 Ų100119.6 Ų119.670%0.69968%0.676SS**  trans49.973.7147.756.90000119.5T1073S1071-T1073 PolarHBondContact O-N 3.29Å; S1071-T1073 VanDerWaalsContact O-N 3.1Å
1072D30.9Very low42.6Very low164 Ų164114.4 Ų114.488%0.87765%0.649SS**  trans-76.788.1159-68.6-49.3000111.4
1073T36.8Very low44.7Very low120 Ų120107.3 Ų107.374%0.73661%0.611SS**  trans-119.4120.4160.150.20000108.7S1071 T1075S1071-T1073 PolarHBondContact O-N 3.29Å; S1071-T1073 VanDerWaalsContact O-N 3.1Å; T1073-T1075 PolarHBondContact O-N 3.17Å
1074L45.7Very low46.8Very low81 Ų81107.5 Ų107.542%0.42459%0.594SS.*  trans-42.6134174.6-77.3156000111.6F1079L1074-F1079 HydrophobicContact CD1-CE2 4.46Å
1075T46Very low49.5Very low79 Ų79100.9 Ų100.949%0.48556%0.557SS.*  trans-71.2152.9167.249.80000109.7T1073 E1077T1073-T1075 PolarHBondContact O-N 3.17Å; T1075-E1077 PolarHBondContact O-N 3.02Å; T1075-E1077 VanDerWaalsContact O-N 3.12Å
1076D54.5Low52.1Low133 Ų13395.2 Ų95.271%0.71152%0.517SS*.Hα-helixtrans-67.2-6.9175.3-71.6-49.8000112.5N1080D1076-N1080 PolarHBondContact O-N 3.49Å; D1076-N1080 PolarHBondContact O-ND2 2.89Å
1077E56.3Low54.5Low143 Ų14393.3 Ų93.367%0.66850%0.498SS*.Hα-helixtrans-77.1-53.8-173.5-65.7178.1144.600112.4T1075 F1079 N1080 D1081T1075-E1077 PolarHBondContact O-N 3.02Å; T1075-E1077 VanDerWaalsContact O-N 3.12Å; E1077-F1079 PolarHBondContact O-N 3.1Å; E1077-N1080 PolarHBondContact O-N 3Å; E1077-D1081 PolarHBondContact O-N 3.46Å; E1077-D1081 VanDerWaalsContact O-N 3.13Å
1078D59.1Low57.2Low62 Ų6291.8 Ų91.833%0.33249%0.491SS..Hα-helixtrans-49.9-37.4173.1-80.3-49.9000112.1I1082 H1143D1078-I1082 WeakPolarHBondContact O-CD1 3.23Å; D1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; D1078-I1082 PolarHBondContact O-N 3.43Å; D1078-H1143 IonicContact OD1-CE1 3.37Å; D1078-H1143 PolarHBondContact OD1-CE1 2.6Å; D1078-H1143 IonicContact OD1-ND1 2.72Å; D1078-H1143 PolarHBondContact OD1-ND1 3.32Å
1079F65.9Low59.7Low32 Ų3289.3 Ų89.314%0.1446%0.463CS..Hα-helixtrans-64.3-43177.5-112.6-91000112.8L1074 E1077 I1083 L1095 Y1098 M1103L1074-F1079 HydrophobicContact CD1-CE2 4.46Å; E1077-F1079 PolarHBondContact O-N 3.1Å; F1079-I1083 VanDerWaalsContact O-CD1 3.28Å; F1079-I1083 WeakPolarHBondContact O-CD1 3.45Å; F1079-I1083 WeakPolarHBondContact O-CG1 3.43Å; F1079-I1083 PolarHBondContact O-N 3.33Å; F1079-L1095 HydrophobicContact CD1-CD2 4.48Å; F1079-L1095 HydrophobicContact CE1-CD2 4.01Å; F1079-Y1098 HydrophobicContact CE1-CD1 4.41Å; F1079-Y1098 HydrophobicContact CE1-CG 4.12Å; F1079-Y1098 HydrophobicContact CE2-CD2 4.04Å; F1079-Y1098 HydrophobicContact CE2-CE2 4.12Å; F1079-Y1098 HydrophobicContact CE2-CG 4.43Å; F1079-Y1098 HydrophobicContact CZ-CD1 4Å; F1079-Y1098 AromaticContact CZ-CD2 3.46Å; F1079-Y1098 HydrophobicContact CZ-CD2 3.46Å; F1079-Y1098 VanDerWaalsContact CZ-CD2 3.46Å; F1079-Y1098 HydrophobicContact CZ-CE1 4.45Å; F1079-Y1098 AromaticContact CZ-CE2 3.96Å; F1079-Y1098 HydrophobicContact CZ-CE2 3.96Å; F1079-Y1098 AromaticContact CZ-CG 3.48Å; F1079-Y1098 HydrophobicContact CZ-CG 3.48Å; F1079-Y1098 VanDerWaalsContact CZ-CG 3.48Å; F1079-M1103 HydrophobicContact CD1-CE 3.82Å; F1079-M1103 HydrophobicContact CD1-SD 4.31Å; F1079-M1103 HydrophobicContact CD2-CE 4.26Å; F1079-M1103 HydrophobicContact CE1-CE 3.41Å; F1079-M1103 VanDerWaalsContact CE1-CE 3.41Å; F1079-M1103 HydrophobicContact CE1-SD 3.38Å; F1079-M1103 WeakPolarHBondContact CE1-SD 3.05Å; F1079-M1103 HydrophobicContact CE2-CE 3.89Å; F1079-M1103 HydrophobicContact CE2-SD 4.4Å; F1079-M1103 HydrophobicContact CG-CE 4.22Å; F1079-M1103 HydrophobicContact CZ-CE 3.42Å; F1079-M1103 VanDerWaalsContact CZ-CE 3.42Å; F1079-M1103 HydrophobicContact CZ-SD 3.42Å; F1079-M1103 WeakPolarHBondContact CZ-SD 3.02Å
1080N71.6Confident62.3Low83 Ų8381.5 Ų81.544%0.44442%0.423SS..Hα-helixtrans-72.6-33.9-178.7-81.3-71.3000112D1076 E1077 I1083 N1084D1076-N1080 PolarHBondContact O-N 3.49Å; D1076-N1080 PolarHBondContact O-ND2 2.89Å; E1077-N1080 PolarHBondContact O-N 3Å; N1080-I1083 CarbonylContact O-C 3.51Å; N1080-I1083 WeakPolarHBondContact O-CB 3.42Å; N1080-I1083 PolarHBondContact O-N 2.87Å; N1080-N1084 WeakPolarHBondContact O-CB 3.49Å; N1080-N1084 PolarHBondContact O-N 2.82Å; N1080-N1084 PolarHBondContact O-ND2 3.4Å; N1080-N1084 VanDerWaalsContact O-ND2 3.09Å
1081D72.4Confident64.3Low88 Ų8881.5 Ų81.547%0.47142%0.42SS..Hα-helixtrans-69.7-40.7-178.9-72.7-23.9000112.7E1077 I1083 N1084 Y1085E1077-D1081 PolarHBondContact O-N 3.46Å; E1077-D1081 VanDerWaalsContact O-N 3.13Å; D1081-I1083 VanDerWaalsContact C-N 3.31Å; D1081-I1083 PolarHBondContact O-N 2.89Å; D1081-N1084 PolarHBondContact O-N 2.77Å; D1081-Y1085 WeakPolarHBondContact O-CB 3.03Å; D1081-Y1085 PolarHBondContact O-N 2.84Å
1082I75.1Confident66.7Low11 Ų1182 Ų826%0.05642%0.415CS..Hα-helixtrans-60.3-42.5170.7-60161.8000110.8L1054 D1078 L1086 M1103 Y1105 L1140 H1143 I1145L1054-I1082 HydrophobicContact CD1-CG2 4.42Å; D1078-I1082 WeakPolarHBondContact O-CD1 3.23Å; D1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; D1078-I1082 PolarHBondContact O-N 3.43Å; I1082-L1086 HydrophobicContact CG2-CD1 4.34Å; I1082-L1086 WeakPolarHBondContact O-CG 3.39Å; I1082-L1086 PolarHBondContact O-N 3.32Å; I1082-M1103 HydrophobicContact CD1-CE 3.89Å; I1082-Y1105 HydrophobicContact CG2-CE2 4.48Å; I1082-L1140 HydrophobicContact CG2-CD2 4.42Å; I1082-H1143 HydrophobicContact CD1-CB 4.06Å; I1082-H1143 HydrophobicContact CG1-CB 4.3Å; I1082-I1145 HydrophobicContact CD1-CD1 4.12Å; I1082-I1145 HydrophobicContact CG1-CD1 4.37Å; I1082-I1145 HydrophobicContact CG2-CD1 4.32Å
1083I76.3Confident69Low25 Ų2574.7 Ų74.713%0.12838%0.376CS..Hα-helixtrans-62.9-42.7176.4-70.4167.2000111.1F1079 N1080 D1081 K1087 Y1105F1079-I1083 VanDerWaalsContact O-CD1 3.28Å; F1079-I1083 WeakPolarHBondContact O-CD1 3.45Å; F1079-I1083 WeakPolarHBondContact O-CG1 3.43Å; F1079-I1083 PolarHBondContact O-N 3.33Å; N1080-I1083 CarbonylContact O-C 3.51Å; N1080-I1083 WeakPolarHBondContact O-CB 3.42Å; N1080-I1083 PolarHBondContact O-N 2.87Å; D1081-I1083 VanDerWaalsContact C-N 3.31Å; D1081-I1083 PolarHBondContact O-N 2.89Å; I1083-K1087 HydrophobicContact CG2-CD 3.86Å; I1083-K1087 VanDerWaalsContact CG2-CE 3.48Å; I1083-K1087 VanDerWaalsContact CG2-NZ 3.31Å; I1083-K1087 WeakPolarHBondContact O-CB 3.35Å; I1083-K1087 VanDerWaalsContact O-CG 3.28Å; I1083-K1087 WeakPolarHBondContact O-CG 3.11Å; I1083-K1087 PolarHBondContact O-N 3.5Å; I1083-Y1105 HydrophobicContact CG1-CE1 3.96Å; I1083-Y1105 WeakPolarHBondContact CG1-OH 3.28Å
1084N77.4Confident71.1Confident78 Ų7871.5 Ų71.542%0.41736%0.359SS..Hα-helixtrans-67.5-42.2-178.4-72.4-29000111.3N1080 D1081 K1087 Q1088N1080-N1084 WeakPolarHBondContact O-CB 3.49Å; N1080-N1084 PolarHBondContact O-N 2.82Å; N1080-N1084 PolarHBondContact O-ND2 3.4Å; N1080-N1084 VanDerWaalsContact O-ND2 3.09Å; D1081-N1084 PolarHBondContact O-N 2.77Å; N1084-K1087 PolarHBondContact O-N 3.47Å; N1084-Q1088 PolarHBondContact O-N 3.19Å
1085Y81.4Confident72.7Confident28 Ų2870.7 Ų70.711%0.1136%0.355CS..Hα-helixtrans-57.1-51.5175.3-171-98.5000111.9D1081 K1087 Q1088 F1124 E1139 L1140D1081-Y1085 WeakPolarHBondContact O-CB 3.03Å; D1081-Y1085 PolarHBondContact O-N 2.84Å; Y1085-K1087 VanDerWaalsContact C-N 3.3Å; Y1085-K1087 PolarHBondContact O-N 3.46Å; Y1085-Q1088 WeakPolarHBondContact O-CB 3.35Å; Y1085-Q1088 PolarHBondContact O-N 3.26Å; Y1085-F1124 HydrophobicContact CE1-CE1 4.41Å; Y1085-E1139 HydrophobicContact CE2-CB 4.26Å; Y1085-E1139 HydrophobicContact CE2-CG 4.45Å; Y1085-E1139 WeakPolarHBondContact CE2-OE2 3.38Å; Y1085-E1139 VanDerWaalsContact CZ-OE2 3.28Å; Y1085-E1139 PolarHBondContact OH-OE2 3.43Å; Y1085-L1140 HydrophobicContact CD1-CD1 4.49Å; Y1085-L1140 HydrophobicContact CD1-CD2 4.29Å; Y1085-L1140 HydrophobicContact CD1-CG 4.48Å; Y1085-L1140 HydrophobicContact CE1-CD1 4.05Å; Y1085-L1140 HydrophobicContact CE1-CG 4.27Å
1086L81.3Confident74Confident0 Ų069 Ų690%034%0.342CS..Hα-helixtrans-62.7-36178.1-66.5171000112.3L1052 L1054 I1082 Q1088 Y1089 I1090 I1093 Y1105 L1120 F1124L1052-L1086 HydrophobicContact CD2-CD2 4.06Å; L1054-L1086 HydrophobicContact CD1-CD1 4.26Å; I1082-L1086 HydrophobicContact CG2-CD1 4.34Å; I1082-L1086 WeakPolarHBondContact O-CG 3.39Å; I1082-L1086 PolarHBondContact O-N 3.32Å; L1086-Q1088 VanDerWaalsContact C-N 3.32Å; L1086-Q1088 PolarHBondContact O-N 2.93Å; L1086-Y1089 PolarHBondContact O-N 2.84Å; L1086-I1090 PolarHBondContact O-N 3.44Å; L1086-I1093 HydrophobicContact CB-CD1 4.05Å; L1086-I1093 HydrophobicContact CB-CG2 4.13Å; L1086-I1093 HydrophobicContact CD1-CD1 4.46Å; L1086-Y1105 HydrophobicContact CD1-CD1 3.94Å; L1086-Y1105 HydrophobicContact CD1-CD2 3.75Å; L1086-Y1105 HydrophobicContact CD1-CE1 3.8Å; L1086-Y1105 HydrophobicContact CD1-CE2 3.61Å; L1086-Y1105 HydrophobicContact CD1-CG 3.91Å; L1086-L1120 HydrophobicContact CD2-CD1 4.19Å; L1086-F1124 HydrophobicContact CD2-CZ 4.09Å
1087K79.7Confident74.6Confident90 Ų9065.1 Ų65.139%0.39132%0.321SS..Hα-helixtrans-69.2-20.5177.8-79.6175.3-179.6168.50114.9I1083 N1084 Y1085 Y1089 I1093I1083-K1087 HydrophobicContact CG2-CD 3.86Å; I1083-K1087 VanDerWaalsContact CG2-CE 3.48Å; I1083-K1087 VanDerWaalsContact CG2-NZ 3.31Å; I1083-K1087 WeakPolarHBondContact O-CB 3.35Å; I1083-K1087 VanDerWaalsContact O-CG 3.28Å; I1083-K1087 WeakPolarHBondContact O-CG 3.11Å; I1083-K1087 PolarHBondContact O-N 3.5Å; N1084-K1087 PolarHBondContact O-N 3.47Å; Y1085-K1087 VanDerWaalsContact C-N 3.3Å; Y1085-K1087 PolarHBondContact O-N 3.46Å; K1087-Y1089 VanDerWaalsContact C-N 3.27Å; K1087-Y1089 PolarHBondContact O-N 2.91Å; K1087-I1093 HydrophobicContact CG-CG2 3.88Å
1088Q80.8Confident75.3Confident149 Ų14964.1 Ų64.170%0.69631%0.312SS*.Hα-helixtrans-61.9-38.4173.7-68.3-173.84.100111.5N1084 Y1085 L1086N1084-Q1088 PolarHBondContact O-N 3.19Å; Y1085-Q1088 WeakPolarHBondContact O-CB 3.35Å; Y1085-Q1088 PolarHBondContact O-N 3.26Å; L1086-Q1088 VanDerWaalsContact C-N 3.32Å; L1086-Q1088 PolarHBondContact O-N 2.93Å
1089Y80.3Confident75.6Confident67 Ų6765.5 Ų65.526%0.26332%0.319SS..Hα-helixtrans-91.7-36.8180-59.6-85000112.6L1086 K1087 L1120 Q1123L1086-Y1089 PolarHBondContact O-N 2.84Å; K1087-Y1089 VanDerWaalsContact C-N 3.27Å; K1087-Y1089 PolarHBondContact O-N 2.91Å; Y1089-L1120 HydrophobicContact CD2-CD1 4.09Å; Y1089-L1120 HydrophobicContact CG-CD1 4.09Å; Y1089-Q1123 HydrophobicContact CE1-CG 4.06Å; Y1089-Q1123 PolarHBondContact OH-NE2 3.49Å
1090I80.2Confident75.4Confident1 Ų170.2 Ų70.21%0.00534%0.342CS..  trans-130.691.9-174.2-54.2-176.8000109.6L1086 D1092 I1093 I1107 L1120L1086-I1090 PolarHBondContact O-N 3.44Å; I1090-D1092 VanDerWaalsContact C-N 3.29Å; I1090-D1092 PolarHBondContact O-N 3.49Å; I1090-I1093 HydrophobicContact CB-CB 4.27Å; I1090-I1093 HydrophobicContact CB-CD1 4.34Å; I1090-I1093 HydrophobicContact CD1-CD1 4.4Å; I1090-I1093 HydrophobicContact CG2-CB 4.01Å; I1090-I1093 HydrophobicContact CG2-CD1 4.46Å; I1090-I1093 HydrophobicContact CG2-CG1 4.2Å; I1090-I1093 WeakPolarHBondContact O-CB 3.37Å; I1090-I1093 PolarHBondContact O-N 2.85Å; I1090-I1107 HydrophobicContact CD1-CD1 3.84Å; I1090-I1107 HydrophobicContact CD1-CG1 4.15Å; I1090-I1107 HydrophobicContact CD1-CG2 4.08Å; I1090-I1107 HydrophobicContact CG2-CG2 4.21Å; I1090-L1120 HydrophobicContact CD1-CB 4.3Å; I1090-L1120 HydrophobicContact CD1-CD1 4.38Å; I1090-L1120 HydrophobicContact CD1-CD2 4.01Å; I1090-L1120 HydrophobicContact CD1-CG 4.46Å
1091K71.4Confident75.2Confident177 Ų17766.7 Ų66.777%0.7732%0.323SS*.THydrogen-bonded Turntrans-53.5-40.8-174.7-74.8-177.7175.1176.50114.5I1093K1091-I1093 VanDerWaalsContact C-N 3.34Å; K1091-I1093 PolarHBondContact O-N 3.36Å
1092D77.8Confident75.3Confident112 Ų11263.5 Ų63.560%0.59931%0.305SS*.THydrogen-bonded Turntrans-96.125.8-173-58.2-31.1000113.2I1090 P1108I1090-D1092 VanDerWaalsContact C-N 3.29Å; I1090-D1092 PolarHBondContact O-N 3.49Å; D1092-P1108 HydrophobicContact CB-CG 4.12Å
1093I79.3Confident75.5Confident9 Ų963.7 Ų63.75%0.04631%0.306CS..  trans-73.8135.5176.5-138.2175.6000110.9L1086 K1087 I1090 K1091 Y1105 R1106 I1107L1086-I1093 HydrophobicContact CB-CD1 4.05Å; L1086-I1093 HydrophobicContact CB-CG2 4.13Å; L1086-I1093 HydrophobicContact CD1-CD1 4.46Å; K1087-I1093 HydrophobicContact CG-CG2 3.88Å; I1090-I1093 HydrophobicContact CB-CB 4.27Å; I1090-I1093 HydrophobicContact CB-CD1 4.34Å; I1090-I1093 HydrophobicContact CD1-CD1 4.4Å; I1090-I1093 HydrophobicContact CG2-CB 4.01Å; I1090-I1093 HydrophobicContact CG2-CD1 4.46Å; I1090-I1093 HydrophobicContact CG2-CG1 4.2Å; I1090-I1093 WeakPolarHBondContact O-CB 3.37Å; I1090-I1093 PolarHBondContact O-N 2.85Å; K1091-I1093 VanDerWaalsContact C-N 3.34Å; K1091-I1093 PolarHBondContact O-N 3.36Å; I1093-Y1105 HydrophobicContact CG2-CD1 4.44Å; I1093-R1106 WeakPolarHBondContact CA-O 3.41Å; I1093-R1106 WeakPolarHBondContact CG1-O 3.47Å; I1093-I1107 HydrophobicContact CD1-CD1 4.49Å; I1093-I1107 HydrophobicContact CD1-CG1 3.97Å; I1093-I1107 HydrophobicContact CG1-CG1 4.02Å
1094S80.7Confident75.8Confident54 Ų5464.9 Ų64.938%0.37831%0.312SS..EExtended strand (participates in β ladder)trans-129.6126.8-179.870.90000112.3R1106S1094-R1106 PolarHBondContact N-O 3.32Å; S1094-R1106 PolarHBondContact O-N 2.88Å
1095L78.7Confident76.1Confident64 Ų6461.2 Ų61.234%0.33529%0.293SS..EExtended strand (participates in β ladder)trans-62.8134.8167.7-17280.3000109.7F1079 M1103 Y1105F1079-L1095 HydrophobicContact CD1-CD2 4.48Å; F1079-L1095 HydrophobicContact CE1-CD2 4.01Å; L1095-M1103 HydrophobicContact CD1-SD 3.97Å; L1095-Y1105 HydrophobicContact CB-CD1 4.28Å; L1095-Y1105 HydrophobicContact CB-CE1 4.03Å; L1095-Y1105 HydrophobicContact CD1-CD1 4.22Å; L1095-Y1105 HydrophobicContact CD1-CD2 4.37Å; L1095-Y1105 HydrophobicContact CD1-CE1 3.77Å; L1095-Y1105 HydrophobicContact CD1-CE2 3.94Å; L1095-Y1105 HydrophobicContact CD1-CG 4.49Å
1096I72.9Confident76.2Confident44 Ų4462.2 Ų62.223%0.22630%0.296CS..EExtended strand (participates in β ladder)trans-103.9-48.5176.8-49.8175.1000110.7Y1051 I1104 R1106 L1249 L1253Y1051-I1096 HydrophobicContact CD1-CD1 3.47Å; Y1051-I1096 VanDerWaalsContact CD1-CD1 3.47Å; Y1051-I1096 HydrophobicContact CE1-CD1 3.32Å; Y1051-I1096 HydrophobicContact CG-CD1 4.48Å; I1096-I1104 HydrophobicContact CD1-CG2 4.16Å; I1096-I1104 PolarHBondContact N-O 3.44Å; I1096-R1106 HydrophobicContact CD1-CB 3.97Å; I1096-R1106 HydrophobicContact CG1-CB 4.11Å; I1096-L1249 HydrophobicContact CG2-CD2 3.95Å; I1096-L1253 HydrophobicContact CG2-CD1 3.72Å
1097D67.8Low76.4Confident51 Ų5162.2 Ų62.227%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-153.3160.4-177.9-141.9-21.2000111.8I1104 K1256D1097-I1104 PolarHBondContact O-N 3.25Å; D1097-I1104 VanDerWaalsContact O-N 3.07Å; D1097-K1256 IonicContact OD1-NZ 2.8Å; D1097-K1256 PolarHBondContact OD1-NZ 3.48Å; D1097-K1256 IonicContact OD2-NZ 3.54Å; D1097-K1256 PolarHBondContact OD2-NZ 3.3Å
1098Y70.8Confident76.4Confident121 Ų12159.2 Ų59.248%0.47529%0.286SS..EExtended strand (participates in β ladder)trans-141.9143.2173.6102-90.5000111.3F1079F1079-Y1098 HydrophobicContact CE1-CD1 4.41Å; F1079-Y1098 HydrophobicContact CE1-CG 4.12Å; F1079-Y1098 HydrophobicContact CE2-CD2 4.04Å; F1079-Y1098 HydrophobicContact CE2-CE2 4.12Å; F1079-Y1098 HydrophobicContact CE2-CG 4.43Å; F1079-Y1098 HydrophobicContact CZ-CD1 4Å; F1079-Y1098 AromaticContact CZ-CD2 3.46Å; F1079-Y1098 HydrophobicContact CZ-CD2 3.46Å; F1079-Y1098 VanDerWaalsContact CZ-CD2 3.46Å; F1079-Y1098 HydrophobicContact CZ-CE1 4.45Å; F1079-Y1098 AromaticContact CZ-CE2 3.96Å; F1079-Y1098 HydrophobicContact CZ-CE2 3.96Å; F1079-Y1098 AromaticContact CZ-CG 3.48Å; F1079-Y1098 HydrophobicContact CZ-CG 3.48Å; F1079-Y1098 VanDerWaalsContact CZ-CG 3.48Å
1099N65.9Low76.1Confident91 Ų9155.1 Ų55.149%0.48727%0.268SS..  trans-123.1169.4169.8-77.6-42.8000109N1101 E1102N1099-N1101 PolarHBondContact O-N 2.76Å; N1099-E1102 PolarHBondContact N-O 3.15Å; N1099-E1102 PolarHBondContact O-N 3.46Å
1100Q62.2Low75.8Confident131 Ų13158.8 Ų58.861%0.61229%0.288SS*.SBendtrans-57.6-23.4177.7-71.7175-4600113.8R1056R1056-Q1100 PolarHBondContact NE-O 3.4Å; R1056-Q1100 PolarHBondContact NH2-O 3.34Å
1101N66.5Low75.4Confident9 Ų959.5 Ų59.55%0.04829%0.291CS..SBendtrans-116.2-13.4-173.7-52.410.7000113.3E1055 R1056 N1058 N1099 T2179E1055-N1101 CarbonylContact C-O 3.59Å; E1055-N1101 WeakPolarHBondContact CA-O 3.2Å; R1056-N1101 PolarHBondContact N-O 3.08Å; N1058-N1101 PolarHBondContact ND2-OD1 2.84Å; N1099-N1101 PolarHBondContact O-N 2.76Å; N1101-T2179 HydrophobicContact CB-CG2 4.09Å; N1101-T2179 VanDerWaalsContact ND2-CG2 3.32Å; N1101-T2179 WeakPolarHBondContact ND2-CG2 3.41Å
1102E74.8Confident75.3Confident21 Ų2151.5 Ų51.510%0.09826%0.257CS..EExtended strand (participates in β ladder)trans-148.5142.2-166.8-64.5-177.3-162.100111.9L1054 N1099 I2180L1054-E1102 CarbonylContact O-C 3.56Å; L1054-E1102 WeakPolarHBondContact O-CA 3.31Å; N1099-E1102 PolarHBondContact N-O 3.15Å; N1099-E1102 PolarHBondContact O-N 3.46Å; E1102-I2180 PolarHBondContact OE1-N 3.19Å
1103M79.3Confident74.9Confident15 Ų1550.2 Ų50.27%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-127.9132-177.1-79.1-93.5-126.400110.3I1053 L1054 F1079 I1082 L1095 Y1105I1053-M1103 WeakPolarHBondContact CA-O 3.25Å; L1054-M1103 HydrophobicContact CB-CB 4.22Å; L1054-M1103 PolarHBondContact N-O 3.03Å; L1054-M1103 PolarHBondContact O-N 2.86Å; F1079-M1103 HydrophobicContact CD1-CE 3.82Å; F1079-M1103 HydrophobicContact CD1-SD 4.31Å; F1079-M1103 HydrophobicContact CD2-CE 4.26Å; F1079-M1103 HydrophobicContact CE1-CE 3.41Å; F1079-M1103 VanDerWaalsContact CE1-CE 3.41Å; F1079-M1103 HydrophobicContact CE1-SD 3.38Å; F1079-M1103 WeakPolarHBondContact CE1-SD 3.05Å; F1079-M1103 HydrophobicContact CE2-CE 3.89Å; F1079-M1103 HydrophobicContact CE2-SD 4.4Å; F1079-M1103 HydrophobicContact CG-CE 4.22Å; F1079-M1103 HydrophobicContact CZ-CE 3.42Å; F1079-M1103 VanDerWaalsContact CZ-CE 3.42Å; F1079-M1103 HydrophobicContact CZ-SD 3.42Å; F1079-M1103 WeakPolarHBondContact CZ-SD 3.02Å; I1082-M1103 HydrophobicContact CD1-CE 3.89Å; L1095-M1103 HydrophobicContact CD1-SD 3.97Å; M1103-Y1105 HydrophobicContact CB-CE2 4.2Å
1104I82Confident74.6Confident50 Ų5055.9 Ų55.926%0.25628%0.28SS..EExtended strand (participates in β ladder)trans-123.2120.2-174.3-53.1179.1000112I1096 D1097I1096-I1104 HydrophobicContact CD1-CG2 4.16Å; I1096-I1104 PolarHBondContact N-O 3.44Å; D1097-I1104 PolarHBondContact O-N 3.25Å; D1097-I1104 VanDerWaalsContact O-N 3.07Å
1105Y85Confident74.2Confident1 Ų154.1 Ų54.10%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-114.6146.1179-70-87000112.2Y1051 L1052 L1054 I1082 I1083 L1086 I1093 L1095 M1103Y1051-Y1105 CarbonylContact C-O 3.59Å; Y1051-Y1105 VanDerWaalsContact CA-O 3.28Å; Y1051-Y1105 WeakPolarHBondContact CA-O 3.49Å; L1052-Y1105 PolarHBondContact N-O 2.71Å; L1052-Y1105 PolarHBondContact O-N 3.19Å; L1054-Y1105 HydrophobicContact CD1-CD2 4.25Å; L1054-Y1105 HydrophobicContact CD1-CE2 4.05Å; I1082-Y1105 HydrophobicContact CG2-CE2 4.48Å; I1083-Y1105 HydrophobicContact CG1-CE1 3.96Å; I1083-Y1105 WeakPolarHBondContact CG1-OH 3.28Å; L1086-Y1105 HydrophobicContact CD1-CD1 3.94Å; L1086-Y1105 HydrophobicContact CD1-CD2 3.75Å; L1086-Y1105 HydrophobicContact CD1-CE1 3.8Å; L1086-Y1105 HydrophobicContact CD1-CE2 3.61Å; L1086-Y1105 HydrophobicContact CD1-CG 3.91Å; I1093-Y1105 HydrophobicContact CG2-CD1 4.44Å; L1095-Y1105 HydrophobicContact CB-CD1 4.28Å; L1095-Y1105 HydrophobicContact CB-CE1 4.03Å; L1095-Y1105 HydrophobicContact CD1-CD1 4.22Å; L1095-Y1105 HydrophobicContact CD1-CD2 4.37Å; L1095-Y1105 HydrophobicContact CD1-CE1 3.77Å; L1095-Y1105 HydrophobicContact CD1-CE2 3.94Å; L1095-Y1105 HydrophobicContact CD1-CG 4.49Å; M1103-Y1105 HydrophobicContact CB-CE2 4.2Å
1106R83.9Confident74.2Confident50 Ų5052 Ų5219%0.18926%0.261CS..EExtended strand (participates in β ladder)trans-102.8137.4173.5-177.7177.1168-180-4.5111.9Q1048 Y1051 I1093 S1094 I1096Q1048-R1106 VanDerWaalsContact CB-NH2 3.34Å; Q1048-R1106 VanDerWaalsContact O-CZ 3.31Å; Q1048-R1106 PolarHBondContact O-NE 3.08Å; Q1048-R1106 PolarHBondContact O-NH2 3Å; Q1048-R1106 VanDerWaalsContact OE1-NH2 3.13Å; Y1051-R1106 HydrophobicContact CD1-CB 4.07Å; Y1051-R1106 HydrophobicContact CD1-CG 4.2Å; Y1051-R1106 HydrophobicContact CE1-CB 4.01Å; Y1051-R1106 HydrophobicContact CE1-CG 3.81Å; I1093-R1106 WeakPolarHBondContact CA-O 3.41Å; I1093-R1106 WeakPolarHBondContact CG1-O 3.47Å; S1094-R1106 PolarHBondContact N-O 3.32Å; S1094-R1106 PolarHBondContact O-N 2.88Å; I1096-R1106 HydrophobicContact CD1-CB 3.97Å; I1096-R1106 HydrophobicContact CG1-CB 4.11Å
1107I83.7Confident74.6Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-117.7120.9173.3-55.8173.7000109.1G1049 Y1050 L1052 I1090 I1093 N1111 L1117G1049-I1107 CarbonylContact C-O 3.6Å; G1049-I1107 WeakPolarHBondContact CA-O 3.14Å; Y1050-I1107 PolarHBondContact N-O 3.49Å; Y1050-I1107 PolarHBondContact O-N 3.41Å; L1052-I1107 HydrophobicContact CB-CD1 4.12Å; I1090-I1107 HydrophobicContact CD1-CD1 3.84Å; I1090-I1107 HydrophobicContact CD1-CG1 4.15Å; I1090-I1107 HydrophobicContact CD1-CG2 4.08Å; I1090-I1107 HydrophobicContact CG2-CG2 4.21Å; I1093-I1107 HydrophobicContact CD1-CD1 4.49Å; I1093-I1107 HydrophobicContact CD1-CG1 3.97Å; I1093-I1107 HydrophobicContact CG1-CG1 4.02Å; I1107-N1111 HydrophobicContact CG2-CB 4.35Å; I1107-L1117 HydrophobicContact CD1-CD1 3.53Å; I1107-L1117 HydrophobicContact CG2-CD1 4.27Å
1108P80.6Confident75.1Confident26 Ų2648.3 Ų48.317%0.16924%0.243CC..  trans-66.1155.5179.4-19.631.5000114.1D1092 Q1110 N1111D1092-P1108 HydrophobicContact CB-CG 4.12Å; P1108-Q1110 VanDerWaalsContact C-N 3.35Å; P1108-Q1110 PolarHBondContact O-N 3.28Å; P1108-N1111 PolarHBondContact O-N 3.23Å
1109I75.1Confident75.6Confident64 Ų6448.4 Ų48.433%0.32825%0.247SC..SBendtrans-63.2-36.6-177.8-63.3-178.9000112.6N1111 I1112I1109-N1111 VanDerWaalsContact C-N 3.3Å; I1109-N1111 PolarHBondContact O-N 3.17Å; I1109-I1112 VanDerWaalsContact O-CB 3.31Å; I1109-I1112 WeakPolarHBondContact O-CB 3.48Å; I1109-I1112 WeakPolarHBondContact O-CG1 3.38Å; I1109-I1112 PolarHBondContact O-N 3.18Å; I1109-I1112 VanDerWaalsContact O-N 3.13Å
1110Q73.9Confident76.4Confident144 Ų14444.1 Ų44.167%0.67322%0.224SC*.Hα-helixtrans-59.6-42.3-177.5-68.3166.3-91.800111.6P1108 I1112 I1113 D1114P1108-Q1110 VanDerWaalsContact C-N 3.35Å; P1108-Q1110 PolarHBondContact O-N 3.28Å; Q1110-I1112 PolarHBondContact O-N 3.46Å; Q1110-I1113 WeakPolarHBondContact O-CB 3.38Å; Q1110-I1113 PolarHBondContact O-N 2.9Å; Q1110-D1114 PolarHBondContact O-N 3.47Å
1111N71.6Confident77.3Confident15 Ų1538.1 Ų38.18%0.0820%0.196CC..Hα-helixtrans-61.8-18.8-179.2-53.543.6000113.1I1107 P1108 I1109 G1115 S1116I1107-N1111 HydrophobicContact CG2-CB 4.35Å; P1108-N1111 PolarHBondContact O-N 3.23Å; I1109-N1111 VanDerWaalsContact C-N 3.3Å; I1109-N1111 PolarHBondContact O-N 3.17Å; N1111-G1115 PolarHBondContact O-N 3.11Å; N1111-S1116 PolarHBondContact O-N 3.23Å; N1111-S1116 VanDerWaalsContact O-N 3.16Å; N1111-S1116 PolarHBondContact O-OG 3.3Å
1112I69.6Low77.9Confident9 Ų944 Ų445%0.04622%0.221CC..Hα-helixtrans-78.8-47.3174.8-44.2172.5000109.9Y1050 I1109 Q1110 D1114 G1115 L1117 F2244 N2248 Y2259Y1050-I1112 HydrophobicContact CD2-CD1 3.34Å; Y1050-I1112 HydrophobicContact CE2-CD1 3.37Å; Y1050-I1112 HydrophobicContact CG-CD1 4.48Å; I1109-I1112 VanDerWaalsContact O-CB 3.31Å; I1109-I1112 WeakPolarHBondContact O-CB 3.48Å; I1109-I1112 WeakPolarHBondContact O-CG1 3.38Å; I1109-I1112 PolarHBondContact O-N 3.18Å; I1109-I1112 VanDerWaalsContact O-N 3.13Å; Q1110-I1112 PolarHBondContact O-N 3.46Å; I1112-D1114 VanDerWaalsContact C-N 3.26Å; I1112-D1114 PolarHBondContact O-N 3.2Å; I1112-G1115 WeakPolarHBondContact O-CA 3.27Å; I1112-G1115 PolarHBondContact O-N 3.17Å; I1112-L1117 HydrophobicContact CG1-CD2 4.29Å; I1112-L1117 HydrophobicContact CG2-CD2 4.13Å; I1112-F2244 HydrophobicContact CG2-CD1 4.34Å; I1112-N2248 PolarHBondContact O-ND2 3.09Å; I1112-Y2259 WeakPolarHBondContact CG2-OH 3.43Å
1113I68.8Low77.9Confident86 Ų8646.8 Ų46.844%0.44124%0.235SC..Hα-helixtrans-61.8-39.7177.9-55172.6000109.8Q1110 G1115 M2252Q1110-I1113 WeakPolarHBondContact O-CB 3.38Å; Q1110-I1113 PolarHBondContact O-N 2.9Å; I1113-G1115 PolarHBondContact O-N 3.32Å; I1113-M2252 HydrophobicContact CG2-CE 3.82Å
1114D73.2Confident77.7Confident127 Ų12746.8 Ų46.868%0.67923%0.234SC*.THydrogen-bonded Turntrans-72.9-1174.3-59.5-26.3000113.5Q1110 I1112 S1116Q1110-D1114 PolarHBondContact O-N 3.47Å; I1112-D1114 VanDerWaalsContact C-N 3.26Å; I1112-D1114 PolarHBondContact O-N 3.2Å; D1114-S1116 PolarHBondContact O-N 2.94Å; D1114-S1116 VanDerWaalsContact O-N 3.15Å
1115G72.1Confident77.2Confident18 Ų1846 Ų4619%0.18623%0.229CC..THydrogen-bonded Turntrans75-6.217400000116.5N1111 I1112 I1113 L1117 S1118N1111-G1115 PolarHBondContact O-N 3.11Å; I1112-G1115 WeakPolarHBondContact O-CA 3.27Å; I1112-G1115 PolarHBondContact O-N 3.17Å; I1113-G1115 PolarHBondContact O-N 3.32Å; G1115-L1117 VanDerWaalsContact C-N 3.26Å; G1115-L1117 PolarHBondContact O-N 3.07Å; G1115-S1118 WeakPolarHBondContact O-CB 3.47Å; G1115-S1118 PolarHBondContact O-N 3.1Å; G1115-S1118 PolarHBondContact O-OG 3.22Å
1116S78.6Confident76.2Confident20 Ų2050.4 Ų50.414%0.1425%0.253CS..Hα-helixtrans-60.8-31.2-174.163.30000113.6N1111 D1114 S1118 Q1119 L1120N1111-S1116 PolarHBondContact O-N 3.23Å; N1111-S1116 VanDerWaalsContact O-N 3.16Å; N1111-S1116 PolarHBondContact O-OG 3.3Å; D1114-S1116 PolarHBondContact O-N 2.94Å; D1114-S1116 VanDerWaalsContact O-N 3.15Å; S1116-S1118 PolarHBondContact O-N 3.25Å; S1116-Q1119 PolarHBondContact O-N 2.87Å; S1116-Q1119 VanDerWaalsContact O-N 3.09Å; S1116-L1120 PolarHBondContact O-N 3.13Å
1117L80.9Confident74.7Confident1 Ų153.2 Ų53.21%0.00528%0.278CS..Hα-helixtrans-53.7-39.6171-174.670.3000112.7I1107 I1112 G1115 Q1119 L1120 F1121 F2244I1107-L1117 HydrophobicContact CD1-CD1 3.53Å; I1107-L1117 HydrophobicContact CG2-CD1 4.27Å; I1112-L1117 HydrophobicContact CG1-CD2 4.29Å; I1112-L1117 HydrophobicContact CG2-CD2 4.13Å; G1115-L1117 VanDerWaalsContact C-N 3.26Å; G1115-L1117 PolarHBondContact O-N 3.07Å; L1117-Q1119 VanDerWaalsContact C-N 3.33Å; L1117-Q1119 PolarHBondContact O-N 2.76Å; L1117-L1120 PolarHBondContact O-N 3.37Å; L1117-F1121 HydrophobicContact CD1-CD2 4.21Å; L1117-F1121 HydrophobicContact CD1-CE2 3.76Å; L1117-F1121 HydrophobicContact CG-CD2 4.13Å; L1117-F1121 HydrophobicContact CG-CE2 4.05Å; L1117-F1121 WeakPolarHBondContact O-CD2 3.4Å; L1117-F1121 PolarHBondContact O-N 3.05Å; L1117-F2244 HydrophobicContact CD2-CD1 3.93Å; L1117-F2244 HydrophobicContact CD2-CD2 3.97Å; L1117-F2244 HydrophobicContact CD2-CE1 3.74Å; L1117-F2244 HydrophobicContact CD2-CE2 3.8Å; L1117-F2244 HydrophobicContact CD2-CG 4.05Å; L1117-F2244 HydrophobicContact CD2-CZ 3.68Å; L1117-F2244 HydrophobicContact CG-CD2 4.49Å
1118S79Confident73.1Confident15 Ų1561.1 Ų61.111%0.10532%0.319CS..Hα-helixtrans-70.9-28-179.572.50000112.8G1115 S1116 K1122 S2241G1115-S1118 WeakPolarHBondContact O-CB 3.47Å; G1115-S1118 PolarHBondContact O-N 3.1Å; G1115-S1118 PolarHBondContact O-OG 3.22Å; S1116-S1118 PolarHBondContact O-N 3.25Å; S1118-K1122 WeakPolarHBondContact O-CB 3.35Å; S1118-K1122 PolarHBondContact O-N 3.47Å; S1118-K1122 VanDerWaalsContact O-N 3.12Å; S1118-S2241 WeakPolarHBondContact O-CB 3.31Å
1119Q80.1Confident71.5Confident123 Ų12362.5 Ų62.558%0.57533%0.329SS*.Hα-helixtrans-73.2-38.6175.1-69.4-177.5-36.900111.9S1116 L1117 K1122 Q1123S1116-Q1119 PolarHBondContact O-N 2.87Å; S1116-Q1119 VanDerWaalsContact O-N 3.09Å; L1117-Q1119 VanDerWaalsContact C-N 3.33Å; L1117-Q1119 PolarHBondContact O-N 2.76Å; Q1119-K1122 PolarHBondContact O-N 2.97Å; Q1119-Q1123 PolarHBondContact O-N 2.89Å
1120L83.3Confident70.2Confident1 Ų165.4 Ų65.41%0.00535%0.352CS..Hα-helixtrans-58.2-54.9173.9-175.691.9000110.8L1052 L1086 Y1089 I1090 S1116 L1117 K1122 Q1123 F1124L1052-L1120 HydrophobicContact CD2-CD2 4.13Å; L1086-L1120 HydrophobicContact CD2-CD1 4.19Å; Y1089-L1120 HydrophobicContact CD2-CD1 4.09Å; Y1089-L1120 HydrophobicContact CG-CD1 4.09Å; I1090-L1120 HydrophobicContact CD1-CB 4.3Å; I1090-L1120 HydrophobicContact CD1-CD1 4.38Å; I1090-L1120 HydrophobicContact CD1-CD2 4.01Å; I1090-L1120 HydrophobicContact CD1-CG 4.46Å; S1116-L1120 PolarHBondContact O-N 3.13Å; L1117-L1120 PolarHBondContact O-N 3.37Å; L1120-K1122 VanDerWaalsContact C-N 3.26Å; L1120-K1122 PolarHBondContact O-N 3.36Å; L1120-Q1123 PolarHBondContact O-N 2.91Å; L1120-F1124 HydrophobicContact CD1-CZ 4.13Å; L1120-F1124 HydrophobicContact CD2-CE2 3.81Å; L1120-F1124 HydrophobicContact CD2-CZ 4.05Å; L1120-F1124 HydrophobicContact CG-CE1 4.48Å; L1120-F1124 HydrophobicContact CG-CE2 4.03Å; L1120-F1124 HydrophobicContact CG-CZ 3.95Å; L1120-F1124 PolarHBondContact O-N 3.43Å
1121F80.3Confident68.8Low5 Ų565.5 Ų65.52%0.02236%0.358CS..Hα-helixtrans-62.7-33.5180-79.5-62.6000112.8L1052 L1117 Q1123 F1124 E1125 L1150 L2240 F2244L1052-F1121 HydrophobicContact CD1-CE1 4.15Å; L1052-F1121 HydrophobicContact CD1-CZ 3.74Å; L1117-F1121 HydrophobicContact CD1-CD2 4.21Å; L1117-F1121 HydrophobicContact CD1-CE2 3.76Å; L1117-F1121 HydrophobicContact CG-CD2 4.13Å; L1117-F1121 HydrophobicContact CG-CE2 4.05Å; L1117-F1121 WeakPolarHBondContact O-CD2 3.4Å; L1117-F1121 PolarHBondContact O-N 3.05Å; F1121-Q1123 PolarHBondContact O-N 2.91Å; F1121-Q1123 VanDerWaalsContact O-N 3.16Å; F1121-F1124 AromaticContact CD1-CD2 3.93Å; F1121-F1124 HydrophobicContact CD1-CD2 3.93Å; F1121-F1124 HydrophobicContact CE1-CD2 4.07Å; F1121-F1124 PolarHBondContact O-N 2.9Å; F1121-F1124 VanDerWaalsContact O-N 3.08Å; F1121-E1125 VanDerWaalsContact O-CB 3.29Å; F1121-E1125 WeakPolarHBondContact O-CB 3.47Å; F1121-E1125 WeakPolarHBondContact O-CG 3.29Å; F1121-E1125 PolarHBondContact O-N 3.1Å; F1121-L1150 HydrophobicContact CE2-CD1 4.26Å; F1121-L1150 HydrophobicContact CE2-CD2 3.75Å; F1121-L1150 HydrophobicContact CZ-CB 4.15Å; F1121-L1150 HydrophobicContact CZ-CD1 4.04Å; F1121-L1150 HydrophobicContact CZ-CD2 3.85Å; F1121-L1150 HydrophobicContact CZ-CG 4.23Å; F1121-L2240 HydrophobicContact CB-CB 4.19Å; F1121-L2240 HydrophobicContact CD1-CB 4.26Å; F1121-L2240 HydrophobicContact CD1-CD1 3.63Å; F1121-L2240 HydrophobicContact CD2-CB 4.18Å; F1121-L2240 HydrophobicContact CD2-CD1 4.47Å; F1121-L2240 HydrophobicContact CE1-CD1 3.56Å; F1121-L2240 HydrophobicContact CE2-CD1 4.38Å; F1121-L2240 HydrophobicContact CG-CB 3.95Å; F1121-L2240 HydrophobicContact CG-CD1 4.13Å; F1121-L2240 HydrophobicContact CZ-CD1 3.96Å; F1121-F2244 HydrophobicContact CD2-CE2 4.48Å; F1121-F2244 HydrophobicContact CE2-CE2 4.34Å
1122K79.4Confident67.4Low132 Ų13270.5 Ų70.557%0.57438%0.384SS*.Hα-helixtrans-62-22.7176.1-165.5172.2-176.5179.10113.5S1118 Q1119 L1120 N1126S1118-K1122 WeakPolarHBondContact O-CB 3.35Å; S1118-K1122 PolarHBondContact O-N 3.47Å; S1118-K1122 VanDerWaalsContact O-N 3.12Å; Q1119-K1122 PolarHBondContact O-N 2.97Å; L1120-K1122 VanDerWaalsContact C-N 3.26Å; L1120-K1122 PolarHBondContact O-N 3.36Å; K1122-N1126 VanDerWaalsContact O-CG 3.27Å; K1122-N1126 PolarHBondContact O-ND2 3.08Å; K1122-N1126 VanDerWaalsContact O-ND2 3.13Å; K1122-N1126 PolarHBondContact O-OD1 3.23Å
1123Q76.3Confident66.4Low80 Ų8078.6 Ų78.637%0.37442%0.422SS..Hα-helixtrans-85.3-37171.1-75.3-78.158.500112.8Y1089 Q1119 L1120 F1121 E1125 N1126Y1089-Q1123 HydrophobicContact CE1-CG 4.06Å; Y1089-Q1123 PolarHBondContact OH-NE2 3.49Å; Q1119-Q1123 PolarHBondContact O-N 2.89Å; L1120-Q1123 PolarHBondContact O-N 2.91Å; F1121-Q1123 PolarHBondContact O-N 2.91Å; F1121-Q1123 VanDerWaalsContact O-N 3.16Å; Q1123-E1125 PolarHBondContact O-N 3.4Å; Q1123-N1126 PolarHBondContact OE1-ND2 3.33Å
1124F74.4Confident65.6Low16 Ų1679.6 Ų79.67%0.0743%0.427CS..Hα-helixtrans-66.3-22.7173.5-63.6-10.6000113L1052 Y1085 L1086 L1120 F1121 P1137 L1140L1052-F1124 HydrophobicContact CD1-CE2 4.47Å; L1052-F1124 HydrophobicContact CD2-CE2 4.3Å; Y1085-F1124 HydrophobicContact CE1-CE1 4.41Å; L1086-F1124 HydrophobicContact CD2-CZ 4.09Å; L1120-F1124 HydrophobicContact CD1-CZ 4.13Å; L1120-F1124 HydrophobicContact CD2-CE2 3.81Å; L1120-F1124 HydrophobicContact CD2-CZ 4.05Å; L1120-F1124 HydrophobicContact CG-CE1 4.48Å; L1120-F1124 HydrophobicContact CG-CE2 4.03Å; L1120-F1124 HydrophobicContact CG-CZ 3.95Å; L1120-F1124 PolarHBondContact O-N 3.43Å; F1121-F1124 AromaticContact CD1-CD2 3.93Å; F1121-F1124 HydrophobicContact CD1-CD2 3.93Å; F1121-F1124 HydrophobicContact CE1-CD2 4.07Å; F1121-F1124 PolarHBondContact O-N 2.9Å; F1121-F1124 VanDerWaalsContact O-N 3.08Å; F1124-P1137 HydrophobicContact CD1-CG 4.11Å; F1124-L1140 HydrophobicContact CD1-CD1 4.37Å; F1124-L1140 HydrophobicContact CE1-CD1 3.75Å; F1124-L1140 HydrophobicContact CZ-CD1 4.32Å
1125E71.7Confident64.6Low33 Ų3379.2 Ų79.215%0.15442%0.424CS..THydrogen-bonded Turntrans-97.50.2-174.8-70.9166.2-175.300114.6F1121 Q1123 P1127 Q2239 L2240 S2241F1121-E1125 VanDerWaalsContact O-CB 3.29Å; F1121-E1125 WeakPolarHBondContact O-CB 3.47Å; F1121-E1125 WeakPolarHBondContact O-CG 3.29Å; F1121-E1125 PolarHBondContact O-N 3.1Å; Q1123-E1125 PolarHBondContact O-N 3.4Å; E1125-P1127 VanDerWaalsContact O-CD 3.25Å; E1125-P1127 WeakPolarHBondContact O-CD 2.97Å; E1125-Q2239 WeakPolarHBondContact OE2-CA 3.3Å; E1125-Q2239 WeakPolarHBondContact OE2-CB 3.09Å; E1125-L2240 WeakPolarHBondContact OE1-CA 3.35Å; E1125-L2240 VanDerWaalsContact OE1-CB 3.24Å; E1125-L2240 WeakPolarHBondContact OE1-CB 3.29Å; E1125-L2240 PolarHBondContact OE1-N 3.34Å; E1125-S2241 PolarHBondContact OE1-N 2.84Å; E1125-S2241 VanDerWaalsContact OE2-CB 3.24Å; E1125-S2241 WeakPolarHBondContact OE2-CB 3.2Å; E1125-S2241 PolarHBondContact OE2-N 2.84Å; E1125-S2241 PolarHBondContact OE2-OG 3.31Å
1126N63Low64.2Low94 Ų9479 Ų7950%0.50342%0.419SS..  trans-79.6110.4-178.4-85-32.2000111.7K1122 Q1123K1122-N1126 VanDerWaalsContact O-CG 3.27Å; K1122-N1126 PolarHBondContact O-ND2 3.08Å; K1122-N1126 VanDerWaalsContact O-ND2 3.13Å; K1122-N1126 PolarHBondContact O-OD1 3.23Å; Q1123-N1126 PolarHBondContact OE1-ND2 3.33Å
1127P52.9Low63.6Low108 Ų10879.2 Ų79.270%0.70142%0.419SS*.  trans-87.9130.4-176.634.5-30.2000111.6E1125E1125-P1127 VanDerWaalsContact O-CD 3.25Å; E1125-P1127 WeakPolarHBondContact O-CD 2.97Å
1128L50.9Low62.7Low166 Ų16685 Ų8587%0.86945%0.449SS*.SBendtrans-89.9-8.6175.6-79.4161000113.8
1129S45.8Very low62.2Low55 Ų5589.5 Ų89.539%0.38547%0.468SS..SBendtrans-143.1155.8171.975.50000110.9
1130P48.3Very low61.8Low125 Ų12583.8 Ų83.881%0.81244%0.442SS*.SBendtrans-90.8-3.2-173.934.8-36.7000115.8
1131N44.1Very low61.1Low147 Ų14786.3 Ų86.379%0.78646%0.457SS*.SBendtrans-118.9-13.3-166.1-84.610.4000116.2
1132D42Very low60.6Low119 Ų11990.1 Ų90.164%0.63648%0.484SS*.SBendtrans-105.3165.5-177.2-69.7-63.4000112.5I1135D1132-I1135 HydrophobicContact CB-CD1 4.26Å
1133Q49.8Very low60.1Low179 Ų17986.6 Ų86.684%0.83647%0.47SS*.  trans-67.5168.3178.4-63.2-178.25.400111.5I1135Q1133-I1135 WeakPolarHBondContact O-CG1 3.25Å; Q1133-I1135 PolarHBondContact O-N 2.93Å
1134I51.5Low59.8Low108 Ų10884 Ų8455%0.55447%0.465SS*.  trans-64.394.4-177.5-55.6170.5000110
1135I52.5Low59.8Low118 Ų11883.7 Ų83.761%0.60546%0.464SS*.PPolyproline II helixtrans-87.2132.6173.6-66.9157.1000108D1132 Q1133 T1141D1132-I1135 HydrophobicContact CB-CD1 4.26Å; Q1133-I1135 WeakPolarHBondContact O-CG1 3.25Å; Q1133-I1135 PolarHBondContact O-N 2.93Å; I1135-T1141 HydrophobicContact CG2-CG2 4.2Å
1136L63.7Low59.8Low15 Ų1586.4 Ų86.48%0.07948%0.478CS..PPolyproline II helixtrans-63.3160.5178-85.6107.4000112.5L1054 I1138 L1140 T1141 I1145 I1146 C1148L1054-L1136 HydrophobicContact CD2-CD2 4.43Å; L1136-I1138 PolarHBondContact O-N 3.41Å; L1136-L1140 HydrophobicContact CB-CB 4.44Å; L1136-L1140 HydrophobicContact CD2-CB 4.3Å; L1136-L1140 HydrophobicContact CD2-CD1 3.71Å; L1136-T1141 HydrophobicContact CB-CG2 4.09Å; L1136-T1141 WeakPolarHBondContact O-CG2 3.37Å; L1136-I1145 HydrophobicContact CD2-CG2 4.28Å; L1136-I1146 VanDerWaalsContact CD1-O 3.31Å; L1136-I1146 WeakPolarHBondContact CD1-O 3.43Å; L1136-C1148 HydrophobicContact CD2-CB 4.32Å
1137P65.3Low60.4Low24 Ų2482.6 Ų82.616%0.15646%0.459CS..PPolyproline II helixtrans-46.8139.1170.7-29.735.2000112.5F1124 E1139 L1140 T1141F1124-P1137 HydrophobicContact CD1-CG 4.11Å; P1137-E1139 PolarHBondContact O-N 3.08Å; P1137-L1140 HydrophobicContact CG-CD1 4.48Å; P1137-L1140 PolarHBondContact O-N 3.02Å; P1137-T1141 PolarHBondContact O-N 2.88Å
1138I63.2Low61.8Low122 Ų12278.6 Ų78.663%0.62643%0.433SS*.Hα-helixtrans-49.9-42.8-172.9-64.4172.8000111.1L1136 L1140 T1141 S1142L1136-I1138 PolarHBondContact O-N 3.41Å; I1138-L1140 VanDerWaalsContact C-N 3.27Å; I1138-L1140 PolarHBondContact O-N 2.91Å; I1138-T1141 WeakPolarHBondContact CA-OG1 3.37Å; I1138-T1141 CarbonylContact O-C 3.59Å; I1138-T1141 PolarHBondContact O-N 3.06Å; I1138-T1141 PolarHBondContact O-OG1 3.41Å; I1138-S1142 PolarHBondContact O-N 3.03Å; I1138-S1142 PolarHBondContact O-OG 3.47Å; I1138-S1142 VanDerWaalsContact O-OG 3.11Å
1139E67.8Low63.3Low109 Ų10970.7 Ų70.751%0.50939%0.392SS..Hα-helixtrans-54.6-36.4179-59.4151.9133.500113.3Y1085 P1137 S1142 H1143Y1085-E1139 HydrophobicContact CE2-CB 4.26Å; Y1085-E1139 HydrophobicContact CE2-CG 4.45Å; Y1085-E1139 WeakPolarHBondContact CE2-OE2 3.38Å; Y1085-E1139 VanDerWaalsContact CZ-OE2 3.28Å; Y1085-E1139 PolarHBondContact OH-OE2 3.43Å; P1137-E1139 PolarHBondContact O-N 3.08Å; E1139-S1142 WeakPolarHBondContact CA-OG 3.4Å; E1139-S1142 PolarHBondContact O-OG 2.9Å; E1139-H1143 PolarHBondContact O-CD2 3.25Å
1140L71.5Confident65.2Low3 Ų368.1 Ų68.12%0.01637%0.374CS..Hα-helixtrans-81.8-37176.5-67168.2000111.2I1082 Y1085 F1124 L1136 P1137 I1138 S1142 H1143 I1145I1082-L1140 HydrophobicContact CG2-CD2 4.42Å; Y1085-L1140 HydrophobicContact CD1-CD1 4.49Å; Y1085-L1140 HydrophobicContact CD1-CD2 4.29Å; Y1085-L1140 HydrophobicContact CD1-CG 4.48Å; Y1085-L1140 HydrophobicContact CE1-CD1 4.05Å; Y1085-L1140 HydrophobicContact CE1-CG 4.27Å; F1124-L1140 HydrophobicContact CD1-CD1 4.37Å; F1124-L1140 HydrophobicContact CE1-CD1 3.75Å; F1124-L1140 HydrophobicContact CZ-CD1 4.32Å; L1136-L1140 HydrophobicContact CB-CB 4.44Å; L1136-L1140 HydrophobicContact CD2-CB 4.3Å; L1136-L1140 HydrophobicContact CD2-CD1 3.71Å; P1137-L1140 HydrophobicContact CG-CD1 4.48Å; P1137-L1140 PolarHBondContact O-N 3.02Å; I1138-L1140 VanDerWaalsContact C-N 3.27Å; I1138-L1140 PolarHBondContact O-N 2.91Å; L1140-S1142 VanDerWaalsContact C-N 3.32Å; L1140-S1142 PolarHBondContact O-N 3.11Å; L1140-H1143 PolarHBondContact O-N 2.98Å; L1140-I1145 HydrophobicContact CB-CB 4.33Å; L1140-I1145 HydrophobicContact CB-CD1 4.19Å; L1140-I1145 HydrophobicContact CD2-CD1 3.76Å; L1140-I1145 WeakPolarHBondContact O-CB 3.17Å; L1140-I1145 PolarHBondContact O-N 3.29Å; L1140-I1145 VanDerWaalsContact O-N 3.08Å
1141T69.2Low66.9Low54 Ų5463.8 Ų63.833%0.33135%0.345SS..Hα-helixtrans-66.8-31.3176.5680000112.8I1135 L1136 P1137 I1138 H1143 G1144I1135-T1141 HydrophobicContact CG2-CG2 4.2Å; L1136-T1141 HydrophobicContact CB-CG2 4.09Å; L1136-T1141 WeakPolarHBondContact O-CG2 3.37Å; P1137-T1141 PolarHBondContact O-N 2.88Å; I1138-T1141 WeakPolarHBondContact CA-OG1 3.37Å; I1138-T1141 CarbonylContact O-C 3.59Å; I1138-T1141 PolarHBondContact O-N 3.06Å; I1138-T1141 PolarHBondContact O-OG1 3.41Å; T1141-H1143 VanDerWaalsContact C-N 3.33Å; T1141-H1143 PolarHBondContact O-N 3.32Å; T1141-G1144 WeakPolarHBondContact O-CA 3.43Å; T1141-G1144 PolarHBondContact O-N 3.2Å
1142S69.6Low68.9Low85 Ų8557.9 Ų57.959%0.59431%0.313SS*.Hα-helixtrans-67.3-29.8175.643.70000113.5I1138 E1139 L1140 G1144I1138-S1142 PolarHBondContact O-N 3.03Å; I1138-S1142 PolarHBondContact O-OG 3.47Å; I1138-S1142 VanDerWaalsContact O-OG 3.11Å; E1139-S1142 WeakPolarHBondContact CA-OG 3.4Å; E1139-S1142 PolarHBondContact O-OG 2.9Å; L1140-S1142 VanDerWaalsContact C-N 3.32Å; L1140-S1142 PolarHBondContact O-N 3.11Å; S1142-G1144 PolarHBondContact O-N 3.11Å
1143H69.7Low70.9Confident59 Ų5952.5 Ų52.527%0.27329%0.285SS..THydrogen-bonded Turntrans-87.818.1168.5-57.1-72.3000112.5D1078 I1082 E1139 L1140 T1141D1078-H1143 IonicContact OD1-CE1 3.37Å; D1078-H1143 PolarHBondContact OD1-CE1 2.6Å; D1078-H1143 IonicContact OD1-ND1 2.72Å; D1078-H1143 PolarHBondContact OD1-ND1 3.32Å; I1082-H1143 HydrophobicContact CD1-CB 4.06Å; I1082-H1143 HydrophobicContact CG1-CB 4.3Å; E1139-H1143 PolarHBondContact O-CD2 3.25Å; L1140-H1143 PolarHBondContact O-N 2.98Å; T1141-H1143 VanDerWaalsContact C-N 3.33Å; T1141-H1143 PolarHBondContact O-N 3.32Å
1144G69.1Low72.5Confident26 Ų2646 Ų4627%0.26826%0.26SS..THydrogen-bonded Turntrans79.515.4171.100000115.8R1056 H1057 T1141 S1142R1056-G1144 CarbonylContact C-O 3.55Å; R1056-G1144 WeakPolarHBondContact CA-O 3.39Å; R1056-G1144 WeakPolarHBondContact CG-O 3.47Å; H1057-G1144 PolarHBondContact N-O 3.1Å; T1141-G1144 WeakPolarHBondContact O-CA 3.43Å; T1141-G1144 PolarHBondContact O-N 3.2Å; S1142-G1144 PolarHBondContact O-N 3.11Å
1145I73.6Confident73.9Confident8 Ų841.1 Ų41.14%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-80.8123.6179.6-60.4167.4000110.1L1054 E1055 I1082 L1136 L1140L1054-I1145 HydrophobicContact CB-CG2 4.12Å; L1054-I1145 HydrophobicContact CD1-CD1 4.3Å; L1054-I1145 HydrophobicContact CD2-CG2 4.25Å; E1055-I1145 CarbonylContact O-C 3.52Å; E1055-I1145 VanDerWaalsContact O-CA 3.27Å; E1055-I1145 WeakPolarHBondContact O-CA 3.37Å; E1055-I1145 WeakPolarHBondContact O-CG2 3.26Å; I1082-I1145 HydrophobicContact CD1-CD1 4.12Å; I1082-I1145 HydrophobicContact CG1-CD1 4.37Å; I1082-I1145 HydrophobicContact CG2-CD1 4.32Å; L1136-I1145 HydrophobicContact CD2-CG2 4.28Å; L1140-I1145 HydrophobicContact CB-CB 4.33Å; L1140-I1145 HydrophobicContact CB-CD1 4.19Å; L1140-I1145 HydrophobicContact CD2-CD1 3.76Å; L1140-I1145 WeakPolarHBondContact O-CB 3.17Å; L1140-I1145 PolarHBondContact O-N 3.29Å; L1140-I1145 VanDerWaalsContact O-N 3.08Å
1146I72.9Confident75.2Confident91 Ų9136.5 Ų36.547%0.46721%0.21SC..EExtended strand (participates in β ladder)trans-94-41-177.9-38.3174.8000111.5E1055 H1057 L1136E1055-I1146 PolarHBondContact O-N 2.81Å; H1057-I1146 HydrophobicContact CB-CD1 3.71Å; H1057-I1146 HydrophobicContact CB-CG1 3.8Å; L1136-I1146 VanDerWaalsContact CD1-O 3.31Å; L1136-I1146 WeakPolarHBondContact CD1-O 3.43Å
1147S75.9Confident76Confident14 Ų1436.7 Ų36.710%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-147.9162.2-165.193.90000113.1L1054 E1055 N2185L1054-S1147 WeakPolarHBondContact CA-O 3.32Å; E1055-S1147 WeakPolarHBondContact CB-OG 3.38Å; E1055-S1147 PolarHBondContact N-O 3.46Å; E1055-S1147 PolarHBondContact OE2-OG 2.89Å; S1147-N2185 WeakPolarHBondContact CB-ND2 3.41Å; S1147-N2185 PolarHBondContact OG-ND2 3.29Å
1148C81.7Confident76.8Confident24 Ų2435.6 Ų35.616%0.16220%0.204CC..EExtended strand (participates in β ladder)trans-133.6153177.1-172.80000111.3L1052 I1053 L1054 L1136L1052-C1148 VanDerWaalsContact CD1-SG 3.55Å; I1053-C1148 CarbonylContact O-C 3.31Å; I1053-C1148 VanDerWaalsContact O-CA 3.25Å; I1053-C1148 WeakPolarHBondContact O-CA 3.35Å; I1053-C1148 PolarHBondContact O-SG 3.23Å; I1053-C1148 VanDerWaalsContact O-SG 3.37Å; L1054-C1148 HydrophobicContact CD2-CB 3.78Å; L1054-C1148 VanDerWaalsContact CD2-SG 3.57Å; L1136-C1148 HydrophobicContact CD2-CB 4.32Å
1149G81.5Confident77.7Confident0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-146.4158.2173.900000112.7I1053I1053-G1149 PolarHBondContact N-O 3.41Å; I1053-G1149 PolarHBondContact O-N 2.67Å
1150L86.5Confident78.1Confident0 Ų025.6 Ų25.60%016%0.155CC..EExtended strand (participates in β ladder)trans-132.3131.7-178.4-173.772.5000111.8Y1050 Y1051 L1052 F1121 Y2191 F2244 Q2263Y1050-L1150 HydrophobicContact CD1-CD1 4.3Å; Y1050-L1150 HydrophobicContact CD1-CD2 4.29Å; Y1050-L1150 HydrophobicContact CD1-CG 4.13Å; Y1051-L1150 WeakPolarHBondContact O-CA 3.22Å; L1052-L1150 HydrophobicContact CD1-CD1 4.29Å; F1121-L1150 HydrophobicContact CE2-CD1 4.26Å; F1121-L1150 HydrophobicContact CE2-CD2 3.75Å; F1121-L1150 HydrophobicContact CZ-CB 4.15Å; F1121-L1150 HydrophobicContact CZ-CD1 4.04Å; F1121-L1150 HydrophobicContact CZ-CD2 3.85Å; F1121-L1150 HydrophobicContact CZ-CG 4.23Å; L1150-Y2191 HydrophobicContact CB-CE1 4.28Å; L1150-F2244 HydrophobicContact CD2-CE2 3.58Å; L1150-F2244 HydrophobicContact CD2-CZ 3.58Å; L1150-Q2263 WeakPolarHBondContact O-CB 3.45Å; L1150-Q2263 PolarHBondContact O-N 3.28Å
1151T83.4Confident78.3Confident34 Ų3428 Ų2821%0.20917%0.167CC..EExtended strand (participates in β ladder)trans-136.1155.817852.70000112.5Y1050 Y1051Y1050-T1151 CarbonylContact C-O 3.24Å; Y1050-T1151 VanDerWaalsContact CA-O 3.28Å; Y1050-T1151 WeakPolarHBondContact CA-O 3.31Å; Y1050-T1151 WeakPolarHBondContact CB-O 3.44Å; Y1050-T1151 WeakPolarHBondContact CD1-O 3.38Å; Y1051-T1151 PolarHBondContact N-O 3.18Å; Y1051-T1151 PolarHBondContact O-N 3.33Å
1152D86.3Confident78.6Confident23 Ų2326.5 Ų26.512%0.12316%0.157CC..EExtended strand (participates in β ladder)trans-89.8163.6175.767.9-42.2000112K1043 Y1050 S1154 S2260 R2262K1043-D1152 IonicContact NZ-OD2 3.2Å; K1043-D1152 PolarHBondContact NZ-OD2 2.83Å; Y1050-D1152 HydrophobicContact CD1-CB 4.28Å; Y1050-D1152 HydrophobicContact CE1-CB 4.02Å; D1152-S1154 PolarHBondContact O-N 2.86Å; D1152-S2260 PolarHBondContact OD2-OG 3.41Å; D1152-R2262 VanDerWaalsContact OD1-CD 3.32Å; D1152-R2262 WeakPolarHBondContact OD1-CD 3.45Å
1153T83.8Confident78.4Confident7 Ų722.9 Ų22.94%0.04313%0.133CC..PPolyproline II helixtrans-65.3123.5171.844.30000111.9G1047 Q1048 G1049 Y1051G1047-T1153 WeakPolarHBondContact CA-OG1 3.07Å; Q1048-T1153 HydrophobicContact CB-CG2 3.83Å; Q1048-T1153 PolarHBondContact N-OG1 2.96Å; G1049-T1153 WeakPolarHBondContact O-CG2 3.5Å; G1049-T1153 PolarHBondContact O-N 3Å; Y1051-T1153 HydrophobicContact CE2-CG2 3.66Å; Y1051-T1153 WeakPolarHBondContact OH-CG2 3.29Å
1154S83.5Confident77.7Confident43 Ų4325 Ų2530%0.30115%0.146SC..PPolyproline II helixtrans-71.6156-176.381.60000112.4D1152 E1156 E1157 I1158D1152-S1154 PolarHBondContact O-N 2.86Å; S1154-E1156 PolarHBondContact O-N 3.03Å; S1154-E1156 PolarHBondContact OG-N 3.18Å; S1154-E1157 PolarHBondContact O-N 3.15Å; S1154-E1157 PolarHBondContact OG-N 3.49Å; S1154-I1158 PolarHBondContact O-N 3.08Å
1155L82.4Confident76.8Confident4 Ų427 Ų272%0.02115%0.151CC..Hα-helixtrans-67.1-18177.1-154.7138.5000112.3L857 M1015 I1025 S1039 F1159L857-L1155 HydrophobicContact CD1-CD2 3.53Å; M1015-L1155 HydrophobicContact SD-CD2 3.73Å; I1025-L1155 HydrophobicContact CD1-CD1 3.52Å; I1025-L1155 HydrophobicContact CD1-CD2 4.3Å; S1039-L1155 VanDerWaalsContact OG-CD1 3.32Å; S1039-L1155 WeakPolarHBondContact OG-CD1 3.24Å; L1155-F1159 VanDerWaalsContact O-CB 3.31Å; L1155-F1159 WeakPolarHBondContact O-CB 3.46Å; L1155-F1159 PolarHBondContact O-N 3.21Å
1156E79.3Confident75.2Confident21 Ų2130.3 Ų30.310%0.09817%0.172CC..Hα-helixtrans-69.5-41172.5-163.4-173.3-150.300112.6M1015 S1154 F1159 L1160 P2129 R2133M1015-E1156 HydrophobicContact CB-CB 4.07Å; M1015-E1156 HydrophobicContact CG-CB 3.66Å; M1015-E1156 HydrophobicContact CG-CG 3.89Å; S1154-E1156 PolarHBondContact O-N 3.03Å; S1154-E1156 PolarHBondContact OG-N 3.18Å; E1156-F1159 WeakPolarHBondContact O-CB 3.44Å; E1156-F1159 PolarHBondContact O-N 3.49Å; E1156-L1160 WeakPolarHBondContact O-CG 3.44Å; E1156-L1160 PolarHBondContact O-N 2.7Å; E1156-P2129 HydrophobicContact CG-CB 4.01Å; E1156-P2129 HydrophobicContact CG-CG 4.18Å; E1156-P2129 VanDerWaalsContact OE1-CB 3.24Å; E1156-P2129 WeakPolarHBondContact OE1-CB 3.34Å; E1156-R2133 IonicContact OE1-NH1 3.78Å; E1156-R2133 IonicContact OE2-CZ 3.28Å; E1156-R2133 IonicContact OE2-NH1 2.71Å; E1156-R2133 PolarHBondContact OE2-NH1 3.17Å; E1156-R2133 IonicContact OE2-NH2 3.23Å
1157E79.3Confident73.4Confident19 Ų1929.5 Ų29.59%0.08918%0.18CC..Hα-helixtrans-65.4-44.7175.8-64.8-161.8118.700110.9Y1051 S1154 F1159 L1160 N1161Y1051-E1157 VanDerWaalsContact CE2-OE2 3.27Å; Y1051-E1157 WeakPolarHBondContact CE2-OE2 3.36Å; Y1051-E1157 PolarHBondContact OH-OE1 2.65Å; Y1051-E1157 PolarHBondContact OH-OE2 2.85Å; S1154-E1157 PolarHBondContact O-N 3.15Å; S1154-E1157 PolarHBondContact OG-N 3.49Å; E1157-F1159 VanDerWaalsContact C-N 3.29Å; E1157-F1159 PolarHBondContact O-N 3.41Å; E1157-L1160 PolarHBondContact O-N 3.39Å; E1157-L1160 VanDerWaalsContact O-N 3.15Å; E1157-N1161 PolarHBondContact O-N 3.22Å; E1157-N1161 PolarHBondContact O-ND2 3.44Å
1158I82.7Confident71.6Confident1 Ų137.3 Ų37.31%0.00522%0.217CC..Hα-helixtrans-57.1-44.7174.2-67.6161.1000110.6K1043 S1154 L1160 N1161 I1162K1043-I1158 HydrophobicContact CB-CD1 4.23Å; K1043-I1158 HydrophobicContact CG-CD1 3.75Å; S1154-I1158 PolarHBondContact O-N 3.08Å; I1158-L1160 PolarHBondContact O-N 3.13Å; I1158-N1161 PolarHBondContact O-N 2.88Å; I1158-I1162 HydrophobicContact CG2-CD1 3.69Å; I1158-I1162 WeakPolarHBondContact O-CB 3.44Å; I1158-I1162 VanDerWaalsContact O-CG1 3.28Å; I1158-I1162 WeakPolarHBondContact O-CG1 3.4Å; I1158-I1162 PolarHBondContact O-N 2.86Å; I1158-I1162 VanDerWaalsContact O-N 3.14Å
1159F82.5Confident69.2Low2 Ų242.3 Ų42.31%0.00924%0.241CC..Hα-helixtrans-58.9-46.2174.7169.9-98.9000112.4M1015 I1027 L1155 E1156 E1157 I1162 A1163 P2129M1015-F1159 HydrophobicContact CE-CB 3.61Å; M1015-F1159 HydrophobicContact CE-CD1 3.49Å; M1015-F1159 VanDerWaalsContact CE-CD1 3.49Å; M1015-F1159 HydrophobicContact CE-CD2 3.71Å; M1015-F1159 HydrophobicContact CE-CE1 4.09Å; M1015-F1159 HydrophobicContact CE-CE2 4.29Å; M1015-F1159 HydrophobicContact CE-CG 3.27Å; M1015-F1159 HydrophobicContact CE-CZ 4.46Å; M1015-F1159 HydrophobicContact SD-CB 3.82Å; M1015-F1159 HydrophobicContact SD-CG 4.17Å; I1027-F1159 HydrophobicContact CD1-CD2 4.35Å; I1027-F1159 HydrophobicContact CG2-CD2 3.92Å; I1027-F1159 HydrophobicContact CG2-CE2 4.04Å; L1155-F1159 VanDerWaalsContact O-CB 3.31Å; L1155-F1159 WeakPolarHBondContact O-CB 3.46Å; L1155-F1159 PolarHBondContact O-N 3.21Å; E1156-F1159 WeakPolarHBondContact O-CB 3.44Å; E1156-F1159 PolarHBondContact O-N 3.49Å; E1157-F1159 VanDerWaalsContact C-N 3.29Å; E1157-F1159 PolarHBondContact O-N 3.41Å; F1159-I1162 PolarHBondContact O-N 3.31Å; F1159-A1163 HydrophobicContact CD2-CB 4.38Å; F1159-A1163 HydrophobicContact CE1-CB 4.15Å; F1159-A1163 HydrophobicContact CE2-CB 3.95Å; F1159-A1163 HydrophobicContact CZ-CB 3.82Å; F1159-A1163 WeakPolarHBondContact O-CB 3.41Å; F1159-A1163 PolarHBondContact O-N 3.16Å; F1159-P2129 HydrophobicContact CD1-CB 4.49Å; F1159-P2129 HydrophobicContact CD1-CG 4.41Å; F1159-P2129 HydrophobicContact CE1-CB 4.43Å; F1159-P2129 HydrophobicContact CE1-CG 4.34Å
1160L74.9Confident66.6Low19 Ų1948.1 Ų48.110%0.09927%0.271CS..Hα-helixtrans-62.6-49.4178.4-69.5167.1000111.3E1156 E1157 I1158 I1162 A1163 D1164 P2129 I2130E1156-L1160 WeakPolarHBondContact O-CG 3.44Å; E1156-L1160 PolarHBondContact O-N 2.7Å; E1157-L1160 PolarHBondContact O-N 3.39Å; E1157-L1160 VanDerWaalsContact O-N 3.15Å; I1158-L1160 PolarHBondContact O-N 3.13Å; L1160-I1162 PolarHBondContact O-N 3.39Å; L1160-I1162 VanDerWaalsContact O-N 3.09Å; L1160-A1163 PolarHBondContact O-N 3.49Å; L1160-D1164 WeakPolarHBondContact O-CB 3.33Å; L1160-D1164 PolarHBondContact O-N 3.43Å; L1160-D1164 VanDerWaalsContact O-N 3.08Å; L1160-P2129 HydrophobicContact CD2-CB 4.46Å; L1160-I2130 HydrophobicContact CD2-CD1 4.5Å; L1160-I2130 HydrophobicContact CD2-CG1 3.6Å
1161N76Confident63.7Low53 Ų5355.2 Ų55.228%0.28331%0.305SS..Hα-helixtrans-57.2-27.1178.3-62.8-46.9000113.5Q1048 E1157 I1158Q1048-N1161 PolarHBondContact NE2-ND2 3.17Å; Q1048-N1161 PolarHBondContact NE2-OD1 3.49Å; E1157-N1161 PolarHBondContact O-N 3.22Å; E1157-N1161 PolarHBondContact O-ND2 3.44Å; I1158-N1161 PolarHBondContact O-N 2.88Å
1162I76.3Confident60.9Low23 Ų2361.3 Ų61.312%0.11834%0.336CS..Hα-helixtrans-97.2-29.2-179.5-64.6170.7000112.5I1027 K1034 Y1046 I1158 F1159 L1160I1027-I1162 HydrophobicContact CD1-CD1 4.29Å; I1027-I1162 HydrophobicContact CG2-CG2 4.41Å; K1034-I1162 HydrophobicContact CB-CG2 3.89Å; K1034-I1162 HydrophobicContact CG-CG2 4.43Å; Y1046-I1162 HydrophobicContact CD1-CD1 3.93Å; Y1046-I1162 HydrophobicContact CD1-CG1 4.19Å; Y1046-I1162 HydrophobicContact CD2-CD1 3.73Å; Y1046-I1162 HydrophobicContact CE1-CD1 4.19Å; Y1046-I1162 HydrophobicContact CE1-CG1 4.41Å; Y1046-I1162 HydrophobicContact CE2-CD1 3.99Å; Y1046-I1162 HydrophobicContact CG-CD1 3.68Å; Y1046-I1162 HydrophobicContact CG-CG1 4.38Å; I1158-I1162 HydrophobicContact CG2-CD1 3.69Å; I1158-I1162 WeakPolarHBondContact O-CB 3.44Å; I1158-I1162 VanDerWaalsContact O-CG1 3.28Å; I1158-I1162 WeakPolarHBondContact O-CG1 3.4Å; I1158-I1162 PolarHBondContact O-N 2.86Å; I1158-I1162 VanDerWaalsContact O-N 3.14Å; F1159-I1162 PolarHBondContact O-N 3.31Å; L1160-I1162 PolarHBondContact O-N 3.39Å; L1160-I1162 VanDerWaalsContact O-N 3.09Å
1163A65.8Low57.9Low10 Ų1064.6 Ų64.68%0.08336%0.361CS..Hα-helixtrans-83.7-26.8-176.600000113.5F1159 L1160 D1165F1159-A1163 HydrophobicContact CD2-CB 4.38Å; F1159-A1163 HydrophobicContact CE1-CB 4.15Å; F1159-A1163 HydrophobicContact CE2-CB 3.95Å; F1159-A1163 HydrophobicContact CZ-CB 3.82Å; F1159-A1163 WeakPolarHBondContact O-CB 3.41Å; F1159-A1163 PolarHBondContact O-N 3.16Å; L1160-A1163 PolarHBondContact O-N 3.49Å; A1163-D1165 VanDerWaalsContact C-N 3.3Å; A1163-D1165 PolarHBondContact O-N 3.44Å
1164D55Low55Low103 Ų10369.5 Ų69.555%0.55140%0.396SS*.  trans-76.271.9-175.7-76.8-16.2000113.3L1160L1160-D1164 WeakPolarHBondContact O-CB 3.33Å; L1160-D1164 PolarHBondContact O-N 3.43Å; L1160-D1164 VanDerWaalsContact O-N 3.08Å
1165D49.6Very low52.1Low69 Ų6977.7 Ų77.737%0.36942%0.421SS..  trans-78149.5153.2-94.8-52.9000110.3K1034 A1163 A1167K1034-D1165 WeakPolarHBondContact CE-OD2 3.42Å; K1034-D1165 IonicContact NZ-OD2 3.54Å; K1034-D1165 PolarHBondContact NZ-OD2 3.26Å; A1163-D1165 VanDerWaalsContact C-N 3.3Å; A1163-D1165 PolarHBondContact O-N 3.44Å; D1165-A1167 VanDerWaalsContact C-N 3.26Å; D1165-A1167 PolarHBondContact O-N 3.16Å
1166P40Very low49.4Very low76 Ų7685.7 Ų85.749%0.49446%0.458SS..SBendtrans-75.643.6-154.429.5-37.9000117.4M1168 L1169P1166-M1168 VanDerWaalsContact C-N 3.27Å; P1166-M1168 PolarHBondContact O-N 3.44Å; P1166-L1169 HydrophobicContact CB-CB 4.43Å; P1166-L1169 HydrophobicContact CB-CD1 4.36Å; P1166-L1169 PolarHBondContact O-N 2.82Å; P1166-L1169 VanDerWaalsContact O-N 3.1Å
1167A35.9Very low46.8Very low75 Ų7593 Ų9362%0.6250%0.497SS*.G310 helixtrans-65.3-23.9176.500000114D1165 L1169D1165-A1167 VanDerWaalsContact C-N 3.26Å; D1165-A1167 PolarHBondContact O-N 3.16Å; A1167-L1169 VanDerWaalsContact C-N 3.31Å
1168M36.6Very low44.1Very low177 Ų17796 Ų9687%0.87253%0.533SS*.G310 helixtrans-79.2-7.1172.6-90.2-166.665.600114.5P1166P1166-M1168 VanDerWaalsContact C-N 3.27Å; P1166-M1168 PolarHBondContact O-N 3.44Å
1169L31.3Very low41.3Very low130 Ų13099.4 Ų99.468%0.68157%0.568SS**G310 helixtrans-105.33.8177-68.8172.7000113.4P1166 A1167P1166-L1169 HydrophobicContact CB-CB 4.43Å; P1166-L1169 HydrophobicContact CB-CD1 4.36Å; P1166-L1169 PolarHBondContact O-N 2.82Å; P1166-L1169 VanDerWaalsContact O-N 3.1Å; A1167-L1169 VanDerWaalsContact C-N 3.31Å
1170L26.6Very low38.4Very low121 Ų121107.6 Ų107.663%0.63461%0.609SS**  trans-120.553.1-177.9-70.3172.9000112.3
1171Q27.1Very low36.2Very low149 Ų149113.1 Ų113.170%0.69664%0.643SS**SBendtrans-104.6-16.9162.8-97.5-178.4-5.900114.1
1172D24.6Very low33.6Very low163 Ų163116.4 Ų116.487%0.87267%0.665SS**SBendtrans-104.262.5178.9-65.8-48.8000112.6
1173S22.7Very low31.3Very low91 Ų91119.3 Ų119.364%0.63669%0.693SS**  trans-167.357.9169.434.30000114.2
1174S23Very low29.3Very low111 Ų111124.9 Ų124.978%0.77673%0.726SS**  trans-147.844.5165.873.90000114.9
1175Y23.3Very low28Very low214 Ų214126.8 Ų126.884%0.83974%0.736SS**SBendtrans-117.9127.9157.1-81.2-77.9000109
1176H24Very low26.9Very low172 Ų172129 Ų12980%0.79675%0.748SS**  trans39.595.7167.9-60.2-83.5000118.7
1177L25Very low26.2Very low176 Ų176133.8 Ų133.892%0.92176%0.761SS**  -151.9123.3110-145.172.1000111.7
1178G22.2Very low25.7Very low81 Ų81137.2 Ų137.284%0.83577%0.769SS**  trans-98.6111.1163.300000108.6
1179G24.8Very low25.1Very low72 Ų72136.8 Ų136.874%0.74277%0.77SS**  trans-102.6137174.900000111.1
1180M22.7Very low24.7Very low175 Ų175138.3 Ų138.386%0.86278%0.779SS**  trans-82.2138.6-177-68.2174.1169.200113
1181T28Very low24.7Very low135 Ų135140.1 Ų140.183%0.82878%0.784SS**  trans-172.8110.2143.413.50000106.2
1182T22.2Very low24.6Very low121 Ų121142.1 Ų142.174%0.74279%0.787SS**  cis7861.741.878.20000115.8
1183A27.1Very low24.5Very low85 Ų85143.3 Ų143.370%0.70279%0.787SS**  trans-158.486.7153.400000107.8
1184T24.6Very low24.6Very low127 Ų127144.5 Ų144.578%0.77979%0.791SS**  89.1134.189.847.50000114.3
1185D26.5Very low24.7Very low143 Ų143146.1 Ų146.177%0.76579%0.791SS**  trans69.9136.9163.1-69.5-4.6000121.5
1186N26Very low24.8Very low116 Ų116141 Ų14162%0.6278%0.782SS**  cis-163.3147.5-28.8-138.8-48.5000111.1
1187K26.8Very low24.8Very low176 Ų176139.8 Ų139.877%0.76578%0.781SS**  trans62.8156.6166.5-59.8172.5-171.5171.20118.4
1188N24.2Very low24.8Very low147 Ų147140.4 Ų140.479%0.78678%0.776SS**  cis-168.1127.1-45.9-108.54.8000107.2
1189D24.9Very low25Very low168 Ų168142.9 Ų142.990%0.89877%0.77SS**  trans-167.9102156.3-109.3-19.1000108.2
1190N22.6Very low24.8Very low162 Ų162146.4 Ų146.487%0.86677%0.772SS**  trans-158.6119.1-174-118.70.9000110.5
1191Q26Very low25Very low158 Ų158144.2 Ų144.274%0.73877%0.769SS**  trans-176.8135.6161.9-107.816712.800108
1192Y25.3Very low24.7Very low192 Ų192142.7 Ų142.775%0.75376%0.764SS**  cis-136.3146.911.3-91.1-86.1000113.7
1193E23Very low24.7Very low188 Ų188144.5 Ų144.588%0.87977%0.766SS**  trans-145.7140.2150.8-96.9-170.4161.200107
1194T24.4Very low24.5Very low116 Ų116145.9 Ų145.971%0.71276%0.761SS**  trans-175.5167.1146.160.90000107.7
1195D24.9Very low24.4Very low144 Ų144147.7 Ų147.777%0.7776%0.761SS**  cis-128.2157.77.5-44.1-70.9000110.7
1196V25.8Very low24.2Very low108 Ų108146.9 Ų146.966%0.65576%0.755SS**  cis106.2131.98.3178.80000115.9
1197N24.7Very low24.1Very low146 Ų146148.6 Ų148.678%0.78176%0.76SS**  trans74.8150.7176.2-58.9-26.6000117.6
1198K24.8Very low23.9Very low188 Ų188146.7 Ų146.782%0.81775%0.753SS**  cis-140.7167.519.3-72.4-175.6177.4-178.80110.7
1199N25.3Very low23.9Very low133 Ų133146.4 Ų146.471%0.71175%0.747SS**  cis-162163.4-10.1-110.529.3000109.3
1200D22.1Very low23.8Very low146 Ų146146.1 Ų146.178%0.78174%0.74SS**  trans-85.5164.6174.2-50.8-87.8000114.8
1201T25.2Very low23.9Very low130 Ų130141.4 Ų141.480%0.79873%0.73SS**  176.911210342.50000115.1
1202S22.6Very low23.8Very low103 Ų103142.1 Ų142.172%0.7273%0.733SS**  trans35.8116.2138.161.60000125.4
1203M22.3Very low23.6Very low159 Ų159139.3 Ų139.378%0.78373%0.727SS**  84.2126.2118.4-63.4-64.8-89.700125
1204N22.4Very low23.7Very low113 Ų113137.8 Ų137.860%0.60472%0.722SS**  trans84109140.3-73.3-5.7000124
1205Q22.6Very low23.6Very low166 Ų166139.4 Ų139.478%0.77672%0.719SS**  trans66.9142.1132.4-61-176.4-2.600119
1206I22.8Very low23.4Very low126 Ų126138.2 Ų138.265%0.64672%0.717SS**  cis-156.4150.3-1.6-114.4163.3000108.8
1207Q22.7Very low23.2Very low152 Ų152137.5 Ų137.571%0.7172%0.717SS**  trans26.9150153.3-60.1173.6-37.200122.1
1208Q23.1Very low23.1Very low135 Ų135137.3 Ų137.363%0.63172%0.721SS**  cis-170.3149.90.4-116.5167.7-16.900111.6
1209Q23.6Very low23.1Very low142 Ų142131.5 Ų131.566%0.66472%0.715SS**  trans63.6161142.9-73.6170.6-8.300120.7
1210H24.2Very low23Very low162 Ų162133.9 Ų133.975%0.7573%0.727SS**  cis-153.7149-1.3-129.1-48000114.6
1211G24.1Very low23.1Very low63 Ų63135.9 Ų135.965%0.64972%0.723SS**  trans93.5145.8150.800000116.9
1212Q23.5Very low23Very low172 Ų172139.4 Ų139.480%0.80473%0.731SS**  cis-154161.4-6.1-71.2-162.861.500108
1213Q22.6Very low23.1Very low134 Ų134138.7 Ų138.763%0.62673%0.726SS**  cis-140.1-143.4-4.9-136.8-170.480.100108.1
1214M23.5Very low23.1Very low156 Ų156139.5 Ų139.577%0.76873%0.727SS**  cis-145.9159.28.5-113.3-158.7171.200110.6
1215F23Very low23.2Very low149 Ų149142.2 Ų142.265%0.65474%0.739SS**  trans27.999.4156.6-75-81000123.3
1216T21.2Very low23.2Very low120 Ų120142.4 Ų142.474%0.73675%0.745SS**  61.9142.811954.60000122.1
1217S22.1Very low23.2Very low92 Ų92140.9 Ų140.964%0.64375%0.746SS**  cis-167163.7-2.849.80000112.3
1218T22.2Very low23.3Very low142 Ų142141.6 Ų141.687%0.87175%0.753SS**  trans57.2141.4154.348.60000119.6
1219G23.6Very low23.4Very low67 Ų67146.2 Ų146.269%0.69177%0.765SS**  cis177.9133.1-5.100000107.5
1220L23.9Very low23.2Very low183 Ų183148.6 Ų148.696%0.95878%0.776SS**  5277.779-90.9170.7000115.8
1221R23.1Very low23.1Very low187 Ų187146.3 Ų146.371%0.70678%0.779SS**  trans-165.6100142.2-114.1-174.9-178.7-165.1-0.3110.8D1263R1221-D1263 IonicContact CZ-OD2 3.19Å; R1221-D1263 IonicContact NH1-OD2 2.65Å; R1221-D1263 PolarHBondContact NH1-OD2 3.06Å; R1221-D1263 IonicContact NH2-OD1 2.92Å; R1221-D1263 IonicContact NH2-OD2 2.7Å; R1221-D1263 PolarHBondContact NH2-OD2 3.39Å; R1221-D1263 VanDerWaalsContact NH2-OD2 3.15Å
1222Q24.3Very low23.1Very low205 Ų205149 Ų14996%0.95879%0.788SS**  trans-153.872.3146.4-128.6177.214.600110.1
1223S24.2Very low23.1Very low87 Ų87149.5 Ų149.561%0.60879%0.789SS**  trans-86.2155.3173.445.70000111.4
1224Q22.7Very low23.1Very low176 Ų176151.1 Ų151.182%0.82280%0.802SS**  trans58.778157.2-66.2170.7-1600117.6
1225M23.7Very low23.2Very low170 Ų170149.5 Ų149.584%0.83781%0.805SS**  trans-140.14144.6-109.6-64.1-178.800114.1S1227M1225-S1227 PolarHBondContact O-N 2.91Å
1226N22.6Very low23.2Very low170 Ų170151.2 Ų151.291%0.90982%0.815SS**SBendtrans-102.755-178.4-75-2000112.2
1227S23.4Very low23.3Very low95 Ų95153.2 Ų153.266%0.66482%0.82SS**SBendtrans-154.652.7179.162.70000113.3M1225M1225-S1227 PolarHBondContact O-N 2.91Å
1228L24.7Very low23.5Very low166 Ų166154 Ų15487%0.86982%0.821SS**SBendtrans-173.162164.9-107.9165.7000112.2
1229R24.4Very low23.6Very low233 Ų233154 Ų15488%0.87982%0.816SS**  trans-166.849.4168.2-109.5156.9-152.4-153.94.3114.3
1230Q20.2Very low23.5Very low192 Ų192162.8 Ų162.890%0.89783%0.828SS**  trans-136.780.5167.6-81.6-167.9-19.500111.1
1231S22.8Very low23.5Very low114 Ų114157.1 Ų157.180%0.79781%0.814SS**  trans-178.3108.9160.639.40000111.8
1232S24.4Very low23.7Very low120 Ų120154.6 Ų154.684%0.83982%0.822SS**  trans164.387.1138.241.20000111.6
1233H22.3Very low23.7Very low181 Ų181152.9 Ų152.984%0.83882%0.817SS**  trans-74.6172.2139.3-92.8-85.2000108.6
1234L23.7Very low23.7Very low169 Ų169154 Ų15489%0.88583%0.826SS**  trans73.2108.4-178.4-63.293.4000116.2
1235S24Very low23.8Very low121 Ų121149.2 Ų149.285%0.84682%0.816SS**  trans-141.290147.951.80000110.1
1236H24Very low23.9Very low186 Ų186145.2 Ų145.286%0.86180%0.803SS**  trans-144.695.6167-111.9-50.3000108.3
1237L24Very low24Very low161 Ų161142.5 Ų142.584%0.84379%0.794SS**  trans169145.1141.6-91.5159.6000112.5
1238T25.6Very low24.3Very low108 Ų108139.3 Ų139.366%0.66377%0.771SS**  trans56114.6153.453.10000122.6
1239N23.1Very low24.8Very low142 Ų142133.5 Ų133.576%0.75974%0.74SS**  63.5123.9125.5-62.4-17.3000122.9
1240R23.2Very low25.1Very low253 Ų253125.3 Ų125.396%0.95572%0.717SS**  trans54.276.1142.3-63.5-174.9177.2-178.6-1.2117.3
1241G23.1Very low25.5Very low63 Ų63122 Ų12265%0.64971%0.706SS**  trans-143.8154.7153.300000110
1242P26.9Very low26.1Very low135 Ų135123.4 Ų123.488%0.87770%0.704SS**PPolyproline II helixtrans-65.4148174.428.7-34000110.9S1244P1242-S1244 PolarHBondContact O-N 2.69Å
1243I24.2Very low26.5Very low168 Ų168120.1 Ų120.186%0.86268%0.676SS**PPolyproline II helixtrans-68.7122.8-172.8-63.2166000110.1A1245I1243-A1245 PolarHBondContact O-N 2.83Å
1244S24Very low26.8Very low112 Ų112117.7 Ų117.778%0.78367%0.665SS**PPolyproline II helixtrans-64.7121.1169.855.30000110.3P1242P1242-S1244 PolarHBondContact O-N 2.69Å
1245A25.4Very low27.2Very low75 Ų75119.6 Ų119.662%0.6266%0.66SS**PPolyproline II helixtrans-60.8155.9-179.300000113.1I1243I1243-A1245 PolarHBondContact O-N 2.83Å
1246P25Very low27.5Very low86 Ų86118.5 Ų118.556%0.55864%0.64SS**PPolyproline II helixtrans-58.9166.1169.426.5-35.7000111.9T1248P1246-T1248 WeakPolarHBondContact O-CG2 3.45Å; P1246-T1248 PolarHBondContact O-N 2.64Å
1247P26Very low27.7Very low112 Ų112116.8 Ų116.873%0.72763%0.633SS**SBendtrans-68.592-176.328.4-36000112.1
1248T30.2Very low27.9Very low29 Ų29118.5 Ų118.518%0.17863%0.629CS.*  trans-77.8168.1-176.754.60000113.9Q1048 P1246 P1250 N1251Q1048-T1248 VanDerWaalsContact OE1-CG2 3.32Å; P1246-T1248 WeakPolarHBondContact O-CG2 3.45Å; P1246-T1248 PolarHBondContact O-N 2.64Å; T1248-P1250 VanDerWaalsContact O-CD 3.23Å; T1248-P1250 WeakPolarHBondContact O-CD 3.46Å; T1248-N1251 PolarHBondContact O-N 3.41Å; T1248-N1251 VanDerWaalsContact O-N 3.14Å
1249L34.4Very low28.2Very low43 Ų43123.4 Ų123.423%0.22564%0.637CS.*THydrogen-bonded Turntrans-17.8-53.4173.7-158.475.2000118.2I1096 N1251 L1252 L1253I1096-L1249 HydrophobicContact CG2-CD2 3.95Å; L1249-N1251 PolarHBondContact O-N 2.87Å; L1249-N1251 VanDerWaalsContact O-N 3.08Å; L1249-L1252 PolarHBondContact O-N 2.62Å; L1249-L1252 VanDerWaalsContact O-N 3.13Å; L1249-L1253 HydrophobicContact CD2-CD1 4.35Å; L1249-L1253 HydrophobicContact CG-CD1 4.14Å
1250P30.3Very low28.5Very low61 Ų61124.2 Ų124.240%0.39664%0.641SS.*Hα-helixtrans-52.1-31.6-178.916-33000115.6T1248 L1252 L1253 H1254T1248-P1250 VanDerWaalsContact O-CD 3.23Å; T1248-P1250 WeakPolarHBondContact O-CD 3.46Å; P1250-L1252 PolarHBondContact O-N 2.97Å; P1250-L1253 PolarHBondContact O-N 3.29Å; P1250-H1254 PolarHBondContact O-N 3.24Å; P1250-H1254 VanDerWaalsContact O-N 3.16Å
1251N29.8Very low28.6Very low124 Ų124121.7 Ų121.766%0.66364%0.637SS**Hα-helixtrans-70.5-11.9-178-87.3-41.9000114.8T1248 L1249T1248-N1251 PolarHBondContact O-N 3.41Å; T1248-N1251 VanDerWaalsContact O-N 3.14Å; L1249-N1251 PolarHBondContact O-N 2.87Å; L1249-N1251 VanDerWaalsContact O-N 3.08Å
1252L34.2Very low28.6Very low143 Ų143124.7 Ų124.775%0.74964%0.643SS**Hα-helixtrans-97.7-36.4171.9-73.5168000112.2L1249 P1250L1249-L1252 PolarHBondContact O-N 2.62Å; L1249-L1252 VanDerWaalsContact O-N 3.13Å; P1250-L1252 PolarHBondContact O-N 2.97Å
1253L32.1Very low28.7Very low50 Ų50123 Ų12326%0.26263%0.626SS.*Hα-helixtrans-72.5-27.8-178.9-74.8165.7000113.6I1096 L1249 P1250 R1255 K1256I1096-L1253 HydrophobicContact CG2-CD1 3.72Å; L1249-L1253 HydrophobicContact CD2-CD1 4.35Å; L1249-L1253 HydrophobicContact CG-CD1 4.14Å; P1250-L1253 PolarHBondContact O-N 3.29Å; L1253-R1255 PolarHBondContact O-N 3.49Å; L1253-K1256 PolarHBondContact O-N 3.34Å; L1253-K1256 VanDerWaalsContact O-N 3.09Å
1254H29.2Very low28.7Very low130 Ų130125.5 Ų125.560%0.60263%0.631SS**G310 helixtrans-62.8-8.6-178.5-114.3-57.5000115.5P1250 K1256P1250-H1254 PolarHBondContact O-N 3.24Å; P1250-H1254 VanDerWaalsContact O-N 3.16Å; H1254-K1256 PolarHBondContact O-N 3Å
1255R32Very low28.8Very low209 Ų209124.5 Ų124.579%0.78962%0.624SS**G310 helixtrans-61.1-18.4168.8-99.2-175.9171177.9-1.5114L1253 H1257 Y1258L1253-R1255 PolarHBondContact O-N 3.49Å; R1255-H1257 PolarHBondContact O-N 2.9Å; R1255-H1257 VanDerWaalsContact O-N 3.11Å; R1255-Y1258 PolarHBondContact O-N 2.95Å
1256K30Very low28.8Very low98 Ų98128.8 Ų128.843%0.42664%0.637SS.*G310 helixtrans-56.8-23177.5-77.8174.9177.1169.90114.5D1097 L1253 H1254D1097-K1256 IonicContact OD1-NZ 2.8Å; D1097-K1256 PolarHBondContact OD1-NZ 3.48Å; D1097-K1256 IonicContact OD2-NZ 3.54Å; D1097-K1256 PolarHBondContact OD2-NZ 3.3Å; L1253-K1256 PolarHBondContact O-N 3.34Å; L1253-K1256 VanDerWaalsContact O-N 3.09Å; H1254-K1256 PolarHBondContact O-N 3Å
1257H28.8Very low28.8Very low151 Ų151132.2 Ų132.270%0.69965%0.65SS**G310 helixtrans-102.8-4.5-179.9-78.2-75.2000116.2R1255 Y1259R1255-H1257 PolarHBondContact O-N 2.9Å; R1255-H1257 VanDerWaalsContact O-N 3.11Å; H1257-Y1259 VanDerWaalsContact C-N 3.3Å; H1257-Y1259 PolarHBondContact O-N 3.41Å
1258Y28Very low28.8Very low197 Ų197133.7 Ų133.777%0.77366%0.657SS**THydrogen-bonded Turntrans-86.616.1-170.9-108.5-76.4000116.1R1255R1255-Y1258 PolarHBondContact O-N 2.95Å
1259Y32.8Very low28.5Very low211 Ų211138.4 Ų138.483%0.82769%0.686SS**THydrogen-bonded Turntrans-112.7-6.3178.3-82.5-79.6000115.4H1257H1257-Y1259 VanDerWaalsContact C-N 3.3Å; H1257-Y1259 PolarHBondContact O-N 3.41Å
1260N28.3Very low28Very low158 Ų158143.7 Ų143.785%0.84571%0.714SS**SBendtrans-115.114.7-175.2-82.88.6000115.2
1261K25Very low27.7Very low200 Ų200147.2 Ų147.287%0.8774%0.735SS**  trans-138.465.7179.1-77.4-171.5175.3174.30114.1
1262T24.9Very low27.4Very low126 Ų126148.6 Ų148.677%0.77374%0.737SS**  trans-137.4149.1158.346.50000110.3
1263D27.7Very low27Very low99 Ų99147 Ų14753%0.52974%0.735SS.*  trans74.756.9172.2-583.3000116.4R1221R1221-D1263 IonicContact CZ-OD2 3.19Å; R1221-D1263 IonicContact NH1-OD2 2.65Å; R1221-D1263 PolarHBondContact NH1-OD2 3.06Å; R1221-D1263 IonicContact NH2-OD1 2.92Å; R1221-D1263 IonicContact NH2-OD2 2.7Å; R1221-D1263 PolarHBondContact NH2-OD2 3.39Å; R1221-D1263 VanDerWaalsContact NH2-OD2 3.15Å
1264K24.9Very low26.7Very low222 Ų222152.3 Ų152.397%0.96576%0.762SS**  trans-98.278.8141.6-97.9-164.2177.9-175.70109.4
1265S26.3Very low26.5Very low90 Ų90150.1 Ų150.163%0.62976%0.761SS**  trans-147.3120.3169.854.40000108.4D1267S1265-D1267 PolarHBondContact O-N 3.22Å
1266N25.7Very low26.4Very low166 Ų166147.2 Ų147.289%0.88876%0.761SS**  trans-69114.7-179.9-65.1-14.5000110
1267D24.8Very low26.4Very low158 Ų158147.3 Ų147.385%0.84577%0.77SS**  trans-154.8140.8148.2-105.8-34000109.7S1265 V1269S1265-D1267 PolarHBondContact O-N 3.22Å; D1267-V1269 PolarHBondContact O-N 2.95Å
1268T25.7Very low26.9Very low142 Ų142146.4 Ų146.487%0.87177%0.77SS**  trans-87.894.9-16153.20000113.4
1269V23.5Very low27.5Very low129 Ų129140.1 Ų140.178%0.78275%0.752SS**  trans-133.8128.3162.1-175.90000110.1D1267 V1271D1267-V1269 PolarHBondContact O-N 2.95Å; V1269-V1271 PolarHBondContact O-N 3.16Å
1270N24.7Very low28Very low153 Ų153134.5 Ų134.582%0.81874%0.741SS**  trans-65.9103.9-175.5-68.1-23.1000112.5
1271V23.9Very low29.2Very low136 Ų136129.3 Ų129.382%0.82471%0.714SS**  trans-90.3100.7160.3-179.80000107.7V1269V1269-V1271 PolarHBondContact O-N 3.16Å
1272H23.9Very low30.6Very low153 Ų153125.2 Ų125.271%0.70870%0.701SS**  trans-57.7146165.9-82.5-82.6000109.6I1274H1272-I1274 PolarHBondContact O-N 3Å
1273P24.5Very low32.2Very low110 Ų110126.6 Ų126.671%0.71470%0.699SS**  trans-57128.9165.426.6-33.4000107.9S1275P1273-S1275 PolarHBondContact O-N 3.23Å
1274I27Very low33.9Very low161 Ų161122.9 Ų122.983%0.82668%0.68SS**  trans-70.488.5164.3-61.4178.9000105.3H1272 V1277H1272-I1274 PolarHBondContact O-N 3Å; I1274-V1277 HydrophobicContact CG2-CG2 4.43Å
1275S24.4Very low36.3Very low83 Ų83117.3 Ų117.358%0.5866%0.661SS**  trans-55.8175.3168.858.50000110.2P1273 V1277P1273-S1275 PolarHBondContact O-N 3.23Å; S1275-V1277 PolarHBondContact O-N 2.94Å
1276N30.1Very low39Very low148 Ų148116.4 Ų116.479%0.79165%0.651SS**  trans-63.478.8176-70.9-41.9000111.5N1278N1276-N1278 PolarHBondContact O-N 2.88Å
1277V30.2Very low41.9Very low100 Ų100118.7 Ų118.761%0.60665%0.648SS**  trans-73.963.8161.1-164.50000107.5I1274 S1275 V1279I1274-V1277 HydrophobicContact CG2-CG2 4.43Å; S1275-V1277 PolarHBondContact O-N 2.94Å; V1277-V1279 HydrophobicContact CG1-CG2 3.73Å; V1277-V1279 PolarHBondContact O-N 3.26Å
1278N38.1Very low44.8Very low133 Ų133112.8 Ų112.871%0.71162%0.615SS**  trans-52.582.1139.9-73-32.5000106.3N1276 P1280N1276-N1278 PolarHBondContact O-N 2.88Å; N1278-P1280 WeakPolarHBondContact O-CD 3.27Å
1279V40.1Very low47.9Very low65 Ų65106 Ų10639%0.39457%0.573SS.*  trans-51.9111165177.40000103.8V1277 L1281V1277-V1279 HydrophobicContact CG1-CG2 3.73Å; V1277-V1279 PolarHBondContact O-N 3.26Å; V1279-L1281 PolarHBondContact O-N 3.15Å
1280P44.7Very low51Low92 Ų92102.9 Ų102.960%0.59755%0.552SS**  trans-63112.9-174.224.2-31.6000105.4N1278 N1282N1278-P1280 WeakPolarHBondContact O-CD 3.27Å; P1280-N1282 PolarHBondContact O-N 2.85Å
1281L52.7Low54.2Low50 Ų50100.1 Ų100.126%0.26253%0.533SS..  trans-65.284.5178.9-90.8164.6000106.8V1279 K2038 R2066V1279-L1281 PolarHBondContact O-N 3.15Å; L1281-K2038 PolarHBondContact O-NZ 2.76Å; L1281-R2066 HydrophobicContact CD2-CB 4.47Å
1282N54.7Low57.3Low114 Ų11493.7 Ų93.761%0.6149%0.494SS*.  trans-52.5144.5-177.3-80.2-41.3000108.2P1280 P1284P1280-N1282 PolarHBondContact O-N 2.85Å; N1282-P1284 WeakPolarHBondContact O-CD 3.4Å
1283Q59.3Low60.5Low154 Ų15486.6 Ų86.672%0.7246%0.461SS*.  trans-54.9119.5178.8-70.9-16318.600108.3N1285Q1283-N1285 PolarHBondContact O-N 3.07Å
1284P63Low63.7Low21 Ų2183.9 Ų83.914%0.13644%0.438CS..  trans-56.8116-167.417.7-32000109.2N1282 T1286 Q1289 L2065N1282-P1284 WeakPolarHBondContact O-CD 3.4Å; P1284-T1286 PolarHBondContact O-N 2.81Å; P1284-Q1289 HydrophobicContact CB-CG 4.17Å; P1284-L2065 VanDerWaalsContact CB-O 3.24Å; P1284-L2065 WeakPolarHBondContact CB-O 3.48Å; P1284-L2065 WeakPolarHBondContact CG-O 3.49Å
1285N74.8Confident66.8Low106 Ų10678.7 Ų78.757%0.56741%0.412SS*.  trans-59.2136.2-167.7-108.8-43.6000108.8Q1283 R1287 Q1288 Q1289Q1283-N1285 PolarHBondContact O-N 3.07Å; N1285-R1287 PolarHBondContact O-N 3.35Å; N1285-R1287 VanDerWaalsContact O-N 3.07Å; N1285-Q1288 HydrophobicContact CB-CB 4.38Å; N1285-Q1288 HydrophobicContact CB-CG 4.06Å; N1285-Q1288 WeakPolarHBondContact O-CA 3.16Å; N1285-Q1288 WeakPolarHBondContact O-CB 3.39Å; N1285-Q1288 PolarHBondContact O-N 3.17Å; N1285-Q1289 PolarHBondContact O-N 3Å
1286T83.8Confident70Confident70 Ų7075.1 Ų75.143%0.42939%0.386SS..Hα-helixtrans-54.5-37.1-17753.10000111.2P1284 Q1288 Q1289 I1290 I1683P1284-T1286 PolarHBondContact O-N 2.81Å; T1286-Q1288 PolarHBondContact O-N 3.41Å; T1286-Q1289 PolarHBondContact O-N 2.87Å; T1286-I1290 WeakPolarHBondContact O-CD1 3.16Å; T1286-I1290 WeakPolarHBondContact O-CG1 3.37Å; T1286-I1290 PolarHBondContact O-N 2.9Å; T1286-I1683 HydrophobicContact CG2-CD1 3.9Å
1287R85.7Confident72.8Confident215 Ų21568.4 Ų68.481%0.81135%0.349SS*.Hα-helixtrans-61.5-37172.8-158.6174.5-172.1176.72.1113.8N1285 K1291N1285-R1287 PolarHBondContact O-N 3.35Å; N1285-R1287 VanDerWaalsContact O-N 3.07Å; R1287-K1291 VanDerWaalsContact O-CB 3.29Å; R1287-K1291 WeakPolarHBondContact O-CB 3.29Å; R1287-K1291 PolarHBondContact O-N 3.17Å
1288Q86.6Confident75.6Confident33 Ų3368.3 Ų68.315%0.15434%0.341CS..Hα-helixtrans-70.1-42.3172.8-69.4179.6-5700111.6N1285 T1286 I1290 K1291 A1292 F2068N1285-Q1288 HydrophobicContact CB-CB 4.38Å; N1285-Q1288 HydrophobicContact CB-CG 4.06Å; N1285-Q1288 WeakPolarHBondContact O-CA 3.16Å; N1285-Q1288 WeakPolarHBondContact O-CB 3.39Å; N1285-Q1288 PolarHBondContact O-N 3.17Å; T1286-Q1288 PolarHBondContact O-N 3.41Å; Q1288-I1290 PolarHBondContact O-N 2.95Å; Q1288-K1291 PolarHBondContact O-N 3.18Å; Q1288-A1292 WeakPolarHBondContact O-CB 3.46Å; Q1288-A1292 PolarHBondContact O-N 3.16Å; Q1288-F2068 PolarHBondContact NE2-O 3.16Å
1289Q89Confident78Confident0 Ų064.3 Ų64.30%032%0.318CS..Hα-helixtrans-62.3-42.6177-63.6-161.5-24.900111.7P1284 N1285 T1286 A1292 M1293 G1678 L1679 I1683P1284-Q1289 HydrophobicContact CB-CG 4.17Å; N1285-Q1289 PolarHBondContact O-N 3Å; T1286-Q1289 PolarHBondContact O-N 2.87Å; Q1289-A1292 PolarHBondContact O-N 3.4Å; Q1289-M1293 PolarHBondContact O-N 3.17Å; Q1289-M1293 VanDerWaalsContact O-N 3.09Å; Q1289-G1678 PolarHBondContact NE2-O 3.28Å; Q1289-L1679 HydrophobicContact CB-CD1 4.02Å; Q1289-L1679 HydrophobicContact CG-CD1 4.46Å; Q1289-I1683 HydrophobicContact CB-CG2 4.28Å
1290I90.4Very high80.2Confident63 Ų6362.4 Ų62.432%0.32330%0.304SS..Hα-helixtrans-60-51.8172.6-66.1160000110.2T1286 Q1288 A1292 M1293 F1294 I1683T1286-I1290 WeakPolarHBondContact O-CD1 3.16Å; T1286-I1290 WeakPolarHBondContact O-CG1 3.37Å; T1286-I1290 PolarHBondContact O-N 2.9Å; Q1288-I1290 PolarHBondContact O-N 2.95Å; I1290-A1292 VanDerWaalsContact C-N 3.3Å; I1290-A1292 PolarHBondContact O-N 3.24Å; I1290-M1293 PolarHBondContact O-N 3.28Å; I1290-F1294 HydrophobicContact CG2-CD2 3.82Å; I1290-F1294 HydrophobicContact CG2-CE2 3.92Å; I1290-F1294 WeakPolarHBondContact O-CD2 3.46Å; I1290-F1294 PolarHBondContact O-N 3.43Å; I1290-I1683 HydrophobicContact CG1-CG2 4.17Å
1291K90.1Very high82Confident96 Ų9659.2 Ų59.242%0.41728%0.281SS..Hα-helixtrans-57.5-40.1179.2-172.4175.5-179-178.40112.4R1287 Q1288 L1295 E2070R1287-K1291 VanDerWaalsContact O-CB 3.29Å; R1287-K1291 WeakPolarHBondContact O-CB 3.29Å; R1287-K1291 PolarHBondContact O-N 3.17Å; Q1288-K1291 PolarHBondContact O-N 3.18Å; K1291-L1295 HydrophobicContact CG-CD1 4.17Å; K1291-L1295 WeakPolarHBondContact O-CB 3.37Å; K1291-L1295 VanDerWaalsContact O-CG 3.31Å; K1291-L1295 WeakPolarHBondContact O-CG 3.24Å; K1291-L1295 PolarHBondContact O-N 3.19Å; K1291-E2070 VanDerWaalsContact CE-OE1 3.25Å; K1291-E2070 WeakPolarHBondContact CE-OE1 3.34Å; K1291-E2070 IonicContact NZ-OE1 3.31Å; K1291-E2070 PolarHBondContact NZ-OE1 2.84Å; K1291-E2070 IonicContact NZ-OE2 3.79Å; K1291-E2070 PolarHBondContact NZ-OE2 3.42Å
1292A89.6Confident83.4Confident1 Ų163.9 Ų63.91%0.00830%0.299CS..Hα-helixtrans-64.4-46.3176.200000112.4Q1288 Q1289 I1290 L1295 K1296 L2061 R2064 L2065Q1288-A1292 WeakPolarHBondContact O-CB 3.46Å; Q1288-A1292 PolarHBondContact O-N 3.16Å; Q1289-A1292 PolarHBondContact O-N 3.4Å; I1290-A1292 VanDerWaalsContact C-N 3.3Å; I1290-A1292 PolarHBondContact O-N 3.24Å; A1292-L1295 PolarHBondContact O-N 3.31Å; A1292-K1296 PolarHBondContact O-N 3.5Å; A1292-L2061 HydrophobicContact CB-CD1 4.2Å; A1292-L2061 VanDerWaalsContact O-CD1 3.27Å; A1292-L2061 WeakPolarHBondContact O-CD1 3.49Å; A1292-R2064 HydrophobicContact CB-CB 3.82Å; A1292-L2065 HydrophobicContact CB-CD2 4.27Å
1293M91.7Very high84.8Confident3 Ų362.1 Ų62.12%0.01528%0.284CS..Hα-helixtrans-66.7-41.1178.1-72.9-61.3-65.600112.6Q1289 I1290 K1296 R1297 Q1674 L1679 Y1684 C1687Q1289-M1293 PolarHBondContact O-N 3.17Å; Q1289-M1293 VanDerWaalsContact O-N 3.09Å; I1290-M1293 PolarHBondContact O-N 3.28Å; M1293-K1296 WeakPolarHBondContact O-CB 3.38Å; M1293-K1296 PolarHBondContact O-N 3.15Å; M1293-R1297 PolarHBondContact O-N 3.02Å; M1293-R1297 VanDerWaalsContact O-N 3.08Å; M1293-Q1674 PolarHBondContact SD-NE2 3.49Å; M1293-L1679 HydrophobicContact CG-CD1 4.4Å; M1293-L1679 HydrophobicContact CG-CD2 4.24Å; M1293-L1679 HydrophobicContact SD-CD2 3.81Å; M1293-Y1684 HydrophobicContact CE-CD2 3.64Å; M1293-Y1684 HydrophobicContact CE-CE2 3.91Å; M1293-C1687 HydrophobicContact CB-CB 3.87Å; M1293-C1687 HydrophobicContact CG-CB 4.44Å
1294F92.2Very high85.7Confident53 Ų5355.2 Ų55.223%0.23225%0.253CS..Hα-helixtrans-62.9-44174.8-89.6-114000111.7I1290 R1297 F1298 C1687 L1690 W1691 I1694I1290-F1294 HydrophobicContact CG2-CD2 3.82Å; I1290-F1294 HydrophobicContact CG2-CE2 3.92Å; I1290-F1294 WeakPolarHBondContact O-CD2 3.46Å; I1290-F1294 PolarHBondContact O-N 3.43Å; F1294-R1297 PolarHBondContact O-N 3.5Å; F1294-F1298 WeakPolarHBondContact O-CB 3.29Å; F1294-F1298 PolarHBondContact O-N 3.4Å; F1294-C1687 HydrophobicContact CD2-CB 4.37Å; F1294-C1687 HydrophobicContact CE2-CB 4.14Å; F1294-L1690 HydrophobicContact CZ-CB 4.06Å; F1294-W1691 HydrophobicContact CB-CE3 4.44Å; F1294-W1691 AromaticContact CD1-CE3 3.53Å; F1294-W1691 HydrophobicContact CD1-CE3 3.53Å; F1294-W1691 AromaticContact CD1-CZ3 3.85Å; F1294-W1691 HydrophobicContact CD1-CZ3 3.85Å; F1294-W1691 AromaticContact CE1-CE3 3.9Å; F1294-W1691 HydrophobicContact CE1-CE3 3.9Å; F1294-W1691 HydrophobicContact CE1-CZ3 4.48Å; F1294-W1691 HydrophobicContact CG-CE3 4.07Å; F1294-W1691 HydrophobicContact CG-CZ3 4.48Å; F1294-I1694 HydrophobicContact CE1-CD1 4.11Å
1295L90.8Very high86.2Confident53 Ų5362.8 Ų62.828%0.27728%0.284SS..Hα-helixtrans-60-48.4172.8-77.4167.6000111.3K1291 A1292 R1297 F1298 H1299K1291-L1295 HydrophobicContact CG-CD1 4.17Å; K1291-L1295 WeakPolarHBondContact O-CB 3.37Å; K1291-L1295 VanDerWaalsContact O-CG 3.31Å; K1291-L1295 WeakPolarHBondContact O-CG 3.24Å; K1291-L1295 PolarHBondContact O-N 3.19Å; A1292-L1295 PolarHBondContact O-N 3.31Å; L1295-R1297 VanDerWaalsContact C-N 3.26Å; L1295-R1297 PolarHBondContact O-N 3.19Å; L1295-F1298 PolarHBondContact O-N 3.31Å; L1295-F1298 VanDerWaalsContact O-N 3.1Å; L1295-H1299 PolarHBondContact O-CD2 3.18Å; L1295-H1299 PolarHBondContact O-N 3.01Å
1296K91.8Very high86Confident8 Ų861.5 Ų61.54%0.03528%0.276CS..Hα-helixtrans-50.7-48.6178-160.1-174.2-171.9-176.70111.8A1292 M1293 Y1300 E1665 Q1674 L2053 L2061A1292-K1296 PolarHBondContact O-N 3.5Å; M1293-K1296 WeakPolarHBondContact O-CB 3.38Å; M1293-K1296 PolarHBondContact O-N 3.15Å; K1296-Y1300 WeakPolarHBondContact O-CB 3.3Å; K1296-Y1300 PolarHBondContact O-N 2.74Å; K1296-E1665 VanDerWaalsContact CE-OE1 3.27Å; K1296-E1665 WeakPolarHBondContact CE-OE1 3.47Å; K1296-E1665 IonicContact NZ-OE1 3.82Å; K1296-E1665 PolarHBondContact NZ-OE1 2.83Å; K1296-Q1674 VanDerWaalsContact NZ-CD 3.29Å; K1296-Q1674 VanDerWaalsContact NZ-NE2 3.19Å; K1296-L2053 HydrophobicContact CG-CD1 4.19Å; K1296-L2061 HydrophobicContact CB-CD1 3.7Å; K1296-L2061 HydrophobicContact CD-CD1 4.15Å; K1296-L2061 HydrophobicContact CD-CD2 3.97Å; K1296-L2061 HydrophobicContact CG-CD1 3.99Å; K1296-L2061 HydrophobicContact CG-CD2 4.36Å
1297R89.4Confident85.3Confident7 Ų758.6 Ų58.63%0.02626%0.259CS..Hα-helixtrans-67.6-40.8179.1-79.5-65.6-153.6122.610.5112.9M1293 F1294 L1295 Y1300 L1301 N1688 W1691 D1692M1293-R1297 PolarHBondContact O-N 3.02Å; M1293-R1297 VanDerWaalsContact O-N 3.08Å; F1294-R1297 PolarHBondContact O-N 3.5Å; L1295-R1297 VanDerWaalsContact C-N 3.26Å; L1295-R1297 PolarHBondContact O-N 3.19Å; R1297-Y1300 PolarHBondContact O-N 2.92Å; R1297-L1301 WeakPolarHBondContact O-CB 3.41Å; R1297-L1301 PolarHBondContact O-N 3Å; R1297-N1688 VanDerWaalsContact CZ-OD1 3.27Å; R1297-N1688 PolarHBondContact NE-OD1 3.49Å; R1297-N1688 PolarHBondContact NH2-OD1 3.47Å; R1297-W1691 HydrophobicContact CB-CD2 3.56Å; R1297-W1691 HydrophobicContact CB-CE3 4.17Å; R1297-W1691 HydrophobicContact CB-CG 3.77Å; R1297-W1691 HydrophobicContact CB-CZ2 4.1Å; R1297-W1691 HydrophobicContact CG-CD2 4.26Å; R1297-W1691 HydrophobicContact CG-CG 3.93Å; R1297-D1692 IonicContact CZ-OD1 3.57Å; R1297-D1692 IonicContact CZ-OD2 3.08Å; R1297-D1692 IonicContact NH1-OD1 2.67Å; R1297-D1692 PolarHBondContact NH1-OD1 3.08Å; R1297-D1692 IonicContact NH1-OD2 2.73Å; R1297-D1692 PolarHBondContact NH1-OD2 3.4Å; R1297-D1692 IonicContact NH2-OD1 2.69Å; R1297-D1692 PolarHBondContact NH2-OD1 3.06Å; R1297-D1692 IonicContact NH2-OD2 2.81Å; R1297-D1692 PolarHBondContact NH2-OD2 2.92Å
1298F89Confident84.8Confident97 Ų9751.4 Ų51.443%0.42524%0.236SC..Hα-helixtrans-61.8-48.8175.3178.6-110.6000112.5F1294 L1295 Y1300 L1301 K1302 W1691F1294-F1298 WeakPolarHBondContact O-CB 3.29Å; F1294-F1298 PolarHBondContact O-N 3.4Å; L1295-F1298 PolarHBondContact O-N 3.31Å; L1295-F1298 VanDerWaalsContact O-N 3.1Å; F1298-Y1300 VanDerWaalsContact C-N 3.34Å; F1298-Y1300 PolarHBondContact O-N 2.99Å; F1298-L1301 PolarHBondContact O-N 3.07Å; F1298-K1302 HydrophobicContact CE1-CD 4.34Å; F1298-K1302 HydrophobicContact CZ-CD 4.32Å; F1298-K1302 VanDerWaalsContact O-CB 3.27Å; F1298-K1302 WeakPolarHBondContact O-CB 3.43Å; F1298-K1302 PolarHBondContact O-N 2.99Å; F1298-W1691 HydrophobicContact CB-CH2 3.66Å; F1298-W1691 HydrophobicContact CB-CZ2 4.27Å; F1298-W1691 HydrophobicContact CB-CZ3 4.34Å; F1298-W1691 HydrophobicContact CD2-CH2 4.1Å; F1298-W1691 HydrophobicContact CG-CH2 4.38Å
1299H88.1Confident84.3Confident49 Ų4954 Ų5423%0.22725%0.248CC..Hα-helixtrans-65.4-37178.5-75.2-97.1000111.8L1295 R1303 L2053 E2057L1295-H1299 PolarHBondContact O-CD2 3.18Å; L1295-H1299 PolarHBondContact O-N 3.01Å; H1299-R1303 PolarHBondContact O-N 2.83Å; H1299-L2053 HydrophobicContact CB-CD2 3.81Å; H1299-E2057 IonicContact CE1-OE1 3.13Å; H1299-E2057 PolarHBondContact CE1-OE1 3.12Å; H1299-E2057 VanDerWaalsContact CE1-OE1 3.23Å; H1299-E2057 IonicContact CG-OE1 3.76Å; H1299-E2057 IonicContact ND1-OE1 2.68Å; H1299-E2057 PolarHBondContact ND1-OE1 3.31Å; H1299-E2057 IonicContact ND1-OE2 3.34Å
1300Y85.7Confident83.6Confident26 Ų2654.3 Ų54.310%0.10225%0.249CC..Hα-helixtrans-59.7-54.3170.4172.7-91.3000111.8K1296 R1297 F1298 K1302 R1303 S1304 S1307 F1661 H2050 L2052K1296-Y1300 WeakPolarHBondContact O-CB 3.3Å; K1296-Y1300 PolarHBondContact O-N 2.74Å; R1297-Y1300 PolarHBondContact O-N 2.92Å; F1298-Y1300 VanDerWaalsContact C-N 3.34Å; F1298-Y1300 PolarHBondContact O-N 2.99Å; Y1300-K1302 PolarHBondContact O-N 2.87Å; Y1300-R1303 PolarHBondContact O-N 3.5Å; Y1300-S1304 WeakPolarHBondContact O-CB 3.39Å; Y1300-S1304 PolarHBondContact O-N 2.95Å; Y1300-S1307 PolarHBondContact OH-OG 2.91Å; Y1300-F1661 AromaticContact CD1-CD2 3.87Å; Y1300-F1661 HydrophobicContact CD1-CD2 3.87Å; Y1300-F1661 HydrophobicContact CD1-CE2 4.26Å; Y1300-F1661 AromaticContact CD2-CD2 3.63Å; Y1300-F1661 HydrophobicContact CD2-CD2 3.63Å; Y1300-F1661 AromaticContact CD2-CE2 3.78Å; Y1300-F1661 HydrophobicContact CD2-CE2 3.78Å; Y1300-F1661 HydrophobicContact CE1-CB 4.36Å; Y1300-F1661 AromaticContact CE1-CD2 3.9Å; Y1300-F1661 HydrophobicContact CE1-CD2 3.9Å; Y1300-F1661 HydrophobicContact CE1-CG 4.45Å; Y1300-F1661 AromaticContact CE2-CD2 3.63Å; Y1300-F1661 HydrophobicContact CE2-CD2 3.63Å; Y1300-F1661 HydrophobicContact CE2-CE2 4.24Å; Y1300-F1661 AromaticContact CG-CD2 3.76Å; Y1300-F1661 HydrophobicContact CG-CD2 3.76Å; Y1300-F1661 AromaticContact CG-CE2 3.8Å; Y1300-F1661 HydrophobicContact CG-CE2 3.8Å; Y1300-F1661 AromaticContact CZ-CD2 3.78Å; Y1300-H2050 AromaticContact CD2-CE1 3.46Å; Y1300-H2050 VanDerWaalsContact CD2-CE1 3.46Å; Y1300-H2050 WeakPolarHBondContact CD2-CE1 3.48Å; Y1300-H2050 AromaticContact CD2-NE2 3.82Å; Y1300-H2050 AromaticContact CE2-CE1 3.63Å; Y1300-H2050 AromaticContact CE2-NE2 3.95Å; Y1300-L2052 HydrophobicContact CD2-CB 4.39Å; Y1300-L2052 HydrophobicContact CD2-CD1 3.8Å; Y1300-L2052 HydrophobicContact CE2-CD1 3.67Å
1301L82.6Confident83.1Confident24 Ų2451.5 Ų51.513%0.12623%0.234CC..Hα-helixtrans-63.2-43.2-176-172.4149.9000111.3R1297 F1298 R1303 S1304 L1308 F1312 W1691R1297-L1301 WeakPolarHBondContact O-CB 3.41Å; R1297-L1301 PolarHBondContact O-N 3Å; F1298-L1301 PolarHBondContact O-N 3.07Å; L1301-R1303 VanDerWaalsContact C-N 3.28Å; L1301-R1303 PolarHBondContact O-N 3.48Å; L1301-S1304 PolarHBondContact O-N 2.92Å; L1301-L1308 HydrophobicContact CD2-CD1 4.33Å; L1301-L1308 HydrophobicContact CD2-CG 4.37Å; L1301-F1312 HydrophobicContact CD1-CE2 4.36Å; L1301-F1312 HydrophobicContact CD2-CE2 4.47Å; L1301-W1691 HydrophobicContact CD1-CZ2 4.32Å
1302K83.7Confident82.7Confident148 Ų14848.5 Ų48.564%0.64322%0.221SC*.Hα-helixtrans-60.4-31.1177.4-174.6174.3-179.4178.10113.6F1298 Y1300F1298-K1302 HydrophobicContact CE1-CD 4.34Å; F1298-K1302 HydrophobicContact CZ-CD 4.32Å; F1298-K1302 VanDerWaalsContact O-CB 3.27Å; F1298-K1302 WeakPolarHBondContact O-CB 3.43Å; F1298-K1302 PolarHBondContact O-N 2.99Å; Y1300-K1302 PolarHBondContact O-N 2.87Å
1303R83.3Confident82.4Confident77 Ų7752.2 Ų52.229%0.29124%0.24SC..Hα-helixtrans-98.3-26178.6-65.6-154.5-172.389.46.8114.4H1299 Y1300 L1301 K1305 L2052 E2057H1299-R1303 PolarHBondContact O-N 2.83Å; Y1300-R1303 PolarHBondContact O-N 3.5Å; L1301-R1303 VanDerWaalsContact C-N 3.28Å; L1301-R1303 PolarHBondContact O-N 3.48Å; R1303-K1305 VanDerWaalsContact C-N 3.27Å; R1303-K1305 PolarHBondContact O-N 3.31Å; R1303-L2052 WeakPolarHBondContact CD-O 3.27Å; R1303-L2052 PolarHBondContact NH1-O 3.26Å; R1303-E2057 IonicContact CZ-OE1 3.62Å; R1303-E2057 IonicContact CZ-OE2 3.53Å; R1303-E2057 IonicContact NH1-OE1 3.36Å; R1303-E2057 PolarHBondContact NH1-OE1 2.99Å; R1303-E2057 IonicContact NH1-OE2 3.65Å; R1303-E2057 PolarHBondContact NH1-OE2 2.86Å; R1303-E2057 IonicContact NH2-OE1 2.72Å; R1303-E2057 PolarHBondContact NH2-OE1 2.78Å; R1303-E2057 IonicContact NH2-OE2 3.16Å; R1303-E2057 PolarHBondContact NH2-OE2 3.09Å
1304S78.8Confident81.6Confident9 Ų953 Ų536%0.06325%0.245CC..  trans-76.477.2179.5-171.60000110.7Y1300 L1301 L1306 S1307 L1308Y1300-S1304 WeakPolarHBondContact O-CB 3.39Å; Y1300-S1304 PolarHBondContact O-N 2.95Å; L1301-S1304 PolarHBondContact O-N 2.92Å; S1304-L1306 PolarHBondContact O-N 2.97Å; S1304-S1307 WeakPolarHBondContact O-CB 3.44Å; S1304-S1307 PolarHBondContact O-N 3.36Å; S1304-S1307 VanDerWaalsContact OG-CB 3.23Å; S1304-S1307 WeakPolarHBondContact OG-CB 3.43Å; S1304-S1307 PolarHBondContact OG-N 3.49Å; S1304-S1307 PolarHBondContact OG-OG 2.85Å; S1304-L1308 PolarHBondContact O-N 3.48Å
1305K73.7Confident80.9Confident181 Ų18150.6 Ų50.679%0.78723%0.234SC*.Hα-helixtrans-51.4-29.9173.5-65.4-172.2177.3-173.40112.7R1303 F1309R1303-K1305 VanDerWaalsContact C-N 3.27Å; R1303-K1305 PolarHBondContact O-N 3.31Å; K1305-F1309 VanDerWaalsContact O-CB 3.28Å; K1305-F1309 WeakPolarHBondContact O-CB 3.49Å; K1305-F1309 PolarHBondContact O-N 3.49Å; K1305-F1309 VanDerWaalsContact O-N 3.12Å
1306L70Confident80.5Confident78 Ų7849.8 Ų49.841%0.40823%0.23SC..Hα-helixtrans-66.8-51.5175.3-170.374.9000112L663 S1304 I1310L663-L1306 HydrophobicContact CB-CD1 4.46Å; L663-L1306 HydrophobicContact CD1-CD1 3.83Å; L663-L1306 HydrophobicContact CD2-CD1 3.78Å; L663-L1306 HydrophobicContact CG-CD1 4.22Å; S1304-L1306 PolarHBondContact O-N 2.97Å; L1306-I1310 HydrophobicContact CD1-CD1 4.41Å; L1306-I1310 HydrophobicContact CG-CD1 4.19Å; L1306-I1310 WeakPolarHBondContact O-CG1 3.19Å; L1306-I1310 PolarHBondContact O-N 2.99Å; L1306-I1310 VanDerWaalsContact O-N 3.15Å
1307S69Low80.1Confident10 Ų1052.7 Ų52.77%0.0725%0.25CC..Hα-helixtrans-56.6-56.4173.3-91.40000110.6Y1300 S1304 F1309 I1310 E1311Y1300-S1307 PolarHBondContact OH-OG 2.91Å; S1304-S1307 WeakPolarHBondContact O-CB 3.44Å; S1304-S1307 PolarHBondContact O-N 3.36Å; S1304-S1307 VanDerWaalsContact OG-CB 3.23Å; S1304-S1307 WeakPolarHBondContact OG-CB 3.43Å; S1304-S1307 PolarHBondContact OG-N 3.49Å; S1304-S1307 PolarHBondContact OG-OG 2.85Å; S1307-F1309 PolarHBondContact O-N 3.11Å; S1307-F1309 VanDerWaalsContact O-N 3.17Å; S1307-I1310 PolarHBondContact O-N 3.04Å; S1307-E1311 WeakPolarHBondContact CB-OE1 3.37Å; S1307-E1311 VanDerWaalsContact O-CB 3.25Å; S1307-E1311 WeakPolarHBondContact O-CB 3.29Å; S1307-E1311 VanDerWaalsContact O-CG 3.3Å; S1307-E1311 WeakPolarHBondContact O-CG 3.26Å; S1307-E1311 PolarHBondContact O-N 3.5Å; S1307-E1311 PolarHBondContact OG-OE1 3.04Å
1308L75.1Confident79.5Confident64 Ų6452.6 Ų52.634%0.33525%0.25SS..Hα-helixtrans-59.1-35.8-173.8-142.6167.3000112L1301 S1304 F1312L1301-L1308 HydrophobicContact CD2-CD1 4.33Å; L1301-L1308 HydrophobicContact CD2-CG 4.37Å; S1304-L1308 PolarHBondContact O-N 3.48Å; L1308-F1312 HydrophobicContact CD2-CD2 3.85Å; L1308-F1312 HydrophobicContact CD2-CG 4.43Å; L1308-F1312 HydrophobicContact CG-CD2 4.18Å; L1308-F1312 HydrophobicContact CG-CE2 4.5Å; L1308-F1312 PolarHBondContact O-N 3.39Å
1309F76.7Confident79.2Confident88 Ų8848 Ų4839%0.38623%0.23SC..Iπ-helixtrans-67.2-46.3172.7-177.9-97.6000112.9K1305 S1307 I1313 L1314K1305-F1309 VanDerWaalsContact O-CB 3.28Å; K1305-F1309 WeakPolarHBondContact O-CB 3.49Å; K1305-F1309 PolarHBondContact O-N 3.49Å; K1305-F1309 VanDerWaalsContact O-N 3.12Å; S1307-F1309 PolarHBondContact O-N 3.11Å; S1307-F1309 VanDerWaalsContact O-N 3.17Å; F1309-I1313 HydrophobicContact CD2-CB 3.98Å; F1309-I1313 HydrophobicContact CD2-CD1 4.05Å; F1309-I1313 HydrophobicContact CD2-CG2 3.98Å; F1309-I1313 HydrophobicContact CE2-CB 4.34Å; F1309-I1313 HydrophobicContact CE2-CG2 3.87Å; F1309-I1313 PolarHBondContact O-N 2.91Å; F1309-L1314 HydrophobicContact CD1-CD2 4.44Å; F1309-L1314 HydrophobicContact CE1-CB 4.36Å; F1309-L1314 HydrophobicContact CE1-CD1 3.84Å; F1309-L1314 HydrophobicContact CE1-CD2 4.18Å; F1309-L1314 HydrophobicContact CE1-CG 4.38Å; F1309-L1314 HydrophobicContact CZ-CD1 4.13Å; F1309-L1314 VanDerWaalsContact O-CB 3.29Å; F1309-L1314 WeakPolarHBondContact O-CB 3.36Å; F1309-L1314 PolarHBondContact O-N 2.87Å
1310I73Confident79Confident5 Ų548.7 Ų48.73%0.02624%0.235CC..Iπ-helixtrans-73.1-35.4-178.1-65.9170.3000112.2L663 L1306 S1307 L1314 P1315 L1753L663-I1310 HydrophobicContact CD1-CD1 4.36Å; L1306-I1310 HydrophobicContact CD1-CD1 4.41Å; L1306-I1310 HydrophobicContact CG-CD1 4.19Å; L1306-I1310 WeakPolarHBondContact O-CG1 3.19Å; L1306-I1310 PolarHBondContact O-N 2.99Å; L1306-I1310 VanDerWaalsContact O-N 3.15Å; S1307-I1310 PolarHBondContact O-N 3.04Å; I1310-L1314 HydrophobicContact CB-CD2 4.41Å; I1310-L1314 HydrophobicContact CG1-CD2 4.06Å; I1310-L1314 HydrophobicContact CG2-CD2 4.48Å; I1310-P1315 WeakPolarHBondContact O-CD 3.45Å; I1310-L1753 HydrophobicContact CD1-CD2 4.44Å
1311E79.6Confident78.8Confident5 Ų551 Ų512%0.02325%0.249CC..Iπ-helixtrans-75-46.5-177.2-73.7157.9-153.500111.8S1307 S1657 F1658 C1699S1307-E1311 WeakPolarHBondContact CB-OE1 3.37Å; S1307-E1311 VanDerWaalsContact O-CB 3.25Å; S1307-E1311 WeakPolarHBondContact O-CB 3.29Å; S1307-E1311 VanDerWaalsContact O-CG 3.3Å; S1307-E1311 WeakPolarHBondContact O-CG 3.26Å; S1307-E1311 PolarHBondContact O-N 3.5Å; S1307-E1311 PolarHBondContact OG-OE1 3.04Å; E1311-S1657 WeakPolarHBondContact CG-OG 3.44Å; E1311-S1657 PolarHBondContact OE1-OG 3.34Å; E1311-F1658 HydrophobicContact CG-CE1 4.02Å; E1311-C1699 PolarHBondContact O-SG 2.99Å
1312F82.5Confident78.6Confident33 Ų3350 Ų5015%0.14524%0.243CC..Iπ-helixtrans-110.6-49.8-171.2-60.4-90.7000113.8L1301 L1308 I1316 N1695 I1698 C1699L1301-F1312 HydrophobicContact CD1-CE2 4.36Å; L1301-F1312 HydrophobicContact CD2-CE2 4.47Å; L1308-F1312 HydrophobicContact CD2-CD2 3.85Å; L1308-F1312 HydrophobicContact CD2-CG 4.43Å; L1308-F1312 HydrophobicContact CG-CD2 4.18Å; L1308-F1312 HydrophobicContact CG-CE2 4.5Å; L1308-F1312 PolarHBondContact O-N 3.39Å; F1312-I1316 WeakPolarHBondContact O-CB 3.46Å; F1312-I1316 WeakPolarHBondContact O-CD1 3.36Å; F1312-I1316 VanDerWaalsContact O-CG1 3.23Å; F1312-I1316 WeakPolarHBondContact O-CG1 3.29Å; F1312-N1695 HydrophobicContact CZ-CB 4.39Å; F1312-I1698 HydrophobicContact CD1-CG2 4.41Å; F1312-I1698 HydrophobicContact CE1-CB 4.26Å; F1312-I1698 HydrophobicContact CE1-CG2 3.84Å; F1312-C1699 WeakPolarHBondContact CD1-SG 3.47Å; F1312-C1699 WeakPolarHBondContact CE1-SG 3.38Å
1313I82.9Confident78.5Confident78 Ų7843.4 Ų43.440%0.422%0.215SC..Iπ-helixtrans-77.5-46.9-168.9-60.4174.5000111.1F1309 I1316 C1317F1309-I1313 HydrophobicContact CD2-CB 3.98Å; F1309-I1313 HydrophobicContact CD2-CD1 4.05Å; F1309-I1313 HydrophobicContact CD2-CG2 3.98Å; F1309-I1313 HydrophobicContact CE2-CB 4.34Å; F1309-I1313 HydrophobicContact CE2-CG2 3.87Å; F1309-I1313 PolarHBondContact O-N 2.91Å; I1313-I1316 PolarHBondContact O-N 3.34Å; I1313-C1317 WeakPolarHBondContact O-CB 3.38Å; I1313-C1317 PolarHBondContact O-N 3.09Å; I1313-C1317 PolarHBondContact O-SG 3.33Å; I1313-C1317 VanDerWaalsContact O-SG 3.34Å
1314L75.8Confident78.4Confident21 Ų2146.1 Ų46.111%0.1123%0.229CC..Hα-helixtrans-62.7-43.6-173.1-163.656.2000113.7L670 F1309 I1310 V1318L670-L1314 HydrophobicContact CD1-CD1 3.97Å; L670-L1314 HydrophobicContact CD1-CD2 3.45Å; L670-L1314 VanDerWaalsContact CD1-CD2 3.45Å; L670-L1314 HydrophobicContact CD1-CG 3.69Å; F1309-L1314 HydrophobicContact CD1-CD2 4.44Å; F1309-L1314 HydrophobicContact CE1-CB 4.36Å; F1309-L1314 HydrophobicContact CE1-CD1 3.84Å; F1309-L1314 HydrophobicContact CE1-CD2 4.18Å; F1309-L1314 HydrophobicContact CE1-CG 4.38Å; F1309-L1314 HydrophobicContact CZ-CD1 4.13Å; F1309-L1314 VanDerWaalsContact O-CB 3.29Å; F1309-L1314 WeakPolarHBondContact O-CB 3.36Å; F1309-L1314 PolarHBondContact O-N 2.87Å; I1310-L1314 HydrophobicContact CB-CD2 4.41Å; I1310-L1314 HydrophobicContact CG1-CD2 4.06Å; I1310-L1314 HydrophobicContact CG2-CD2 4.48Å; L1314-V1318 WeakPolarHBondContact O-CG2 3.47Å; L1314-V1318 PolarHBondContact O-N 3.28Å
1315P76.8Confident78.1Confident1 Ų146.8 Ų46.81%0.00623%0.234CC..Hα-helixtrans-63.8-45175.3-22.136.4000111.9I1310 V1318 L1319 S1650 I1654I1310-P1315 WeakPolarHBondContact O-CD 3.45Å; P1315-V1318 PolarHBondContact O-N 3.19Å; P1315-L1319 PolarHBondContact O-N 3.2Å; P1315-L1319 VanDerWaalsContact O-N 3.08Å; P1315-S1650 WeakPolarHBondContact CA-OG 3.49Å; P1315-S1650 WeakPolarHBondContact CB-OG 3.44Å; P1315-S1650 PolarHBondContact O-OG 3.05Å; P1315-I1654 HydrophobicContact CB-CD1 4.37Å; P1315-I1654 HydrophobicContact CG-CD1 3.99Å; P1315-I1654 HydrophobicContact CG-CG1 3.81Å
1316I83.1Confident77.9Confident37 Ų3739.3 Ų39.319%0.1920%0.202CC..Hα-helixtrans-60.2-47.6179.2-72.8177.9000111.4F1312 I1313 V1318 L1319 I1320 L1702 I1706F1312-I1316 WeakPolarHBondContact O-CB 3.46Å; F1312-I1316 WeakPolarHBondContact O-CD1 3.36Å; F1312-I1316 VanDerWaalsContact O-CG1 3.23Å; F1312-I1316 WeakPolarHBondContact O-CG1 3.29Å; I1313-I1316 PolarHBondContact O-N 3.34Å; I1316-V1318 VanDerWaalsContact C-N 3.35Å; I1316-V1318 PolarHBondContact O-N 2.89Å; I1316-L1319 PolarHBondContact O-N 3.31Å; I1316-I1320 HydrophobicContact CG2-CD1 3.66Å; I1316-I1320 WeakPolarHBondContact O-CB 3.28Å; I1316-I1320 WeakPolarHBondContact O-CG1 3.31Å; I1316-I1320 PolarHBondContact O-N 3.3Å; I1316-L1702 HydrophobicContact CD1-CB 3.76Å; I1316-L1702 HydrophobicContact CD1-CD1 3.87Å; I1316-L1702 HydrophobicContact CD1-CG 4.31Å; I1316-L1702 HydrophobicContact CG1-CB 4.43Å; I1316-I1706 HydrophobicContact CB-CD1 4.04Å; I1316-I1706 HydrophobicContact CG1-CD1 3.82Å; I1316-I1706 HydrophobicContact CG2-CD1 3.73Å
1317C82.8Confident78Confident68 Ų6841.9 Ų41.946%0.45921%0.212SC..Hα-helixtrans-62.2-39.5178.6-730000112.5I1313 L1321I1313-C1317 WeakPolarHBondContact O-CB 3.38Å; I1313-C1317 PolarHBondContact O-N 3.09Å; I1313-C1317 PolarHBondContact O-SG 3.33Å; I1313-C1317 VanDerWaalsContact O-SG 3.34Å; C1317-L1321 VanDerWaalsContact O-CB 3.27Å; C1317-L1321 WeakPolarHBondContact O-CB 3.24Å; C1317-L1321 PolarHBondContact O-N 2.85Å
1318V77.9Confident77.8Confident6 Ų649.9 Ų49.94%0.03625%0.246CC..Hα-helixtrans-63.1-49176.2170.80000110.9L670 L1314 P1315 I1316 I1320 L1321 V1322 F1646 L1649L670-V1318 HydrophobicContact CD2-CG2 3.68Å; L1314-V1318 WeakPolarHBondContact O-CG2 3.47Å; L1314-V1318 PolarHBondContact O-N 3.28Å; P1315-V1318 PolarHBondContact O-N 3.19Å; I1316-V1318 VanDerWaalsContact C-N 3.35Å; I1316-V1318 PolarHBondContact O-N 2.89Å; V1318-I1320 PolarHBondContact O-N 3.23Å; V1318-L1321 PolarHBondContact O-N 3.29Å; V1318-V1322 HydrophobicContact CG1-CG2 4.42Å; V1318-V1322 VanDerWaalsContact O-CG2 3.24Å; V1318-V1322 WeakPolarHBondContact O-CG2 3.4Å; V1318-V1322 PolarHBondContact O-N 3.01Å; V1318-F1646 HydrophobicContact CG1-CD1 3.9Å; V1318-L1649 HydrophobicContact CG1-CD2 4.33Å
1319L82Confident77Confident1 Ų149.6 Ų49.61%0.00524%0.242CC..Hα-helixtrans-62.3-43.6179.8-74.4173.7000112.8P1315 I1316 V1322 L1323 T1647 S1650 C1703 I1706 F1707P1315-L1319 PolarHBondContact O-N 3.2Å; P1315-L1319 VanDerWaalsContact O-N 3.08Å; I1316-L1319 PolarHBondContact O-N 3.31Å; L1319-V1322 PolarHBondContact O-N 3.08Å; L1319-L1323 WeakPolarHBondContact O-CB 3.08Å; L1319-L1323 WeakPolarHBondContact O-CG 3.45Å; L1319-L1323 PolarHBondContact O-N 3.29Å; L1319-T1647 HydrophobicContact CD2-CG2 3.64Å; L1319-S1650 WeakPolarHBondContact CD1-OG 3.45Å; L1319-C1703 HydrophobicContact CD1-CB 3.85Å; L1319-I1706 HydrophobicContact CB-CG2 4.38Å; L1319-F1707 HydrophobicContact CD2-CE2 4.11Å
1320I85Confident76Confident63 Ų6351.3 Ų51.332%0.32325%0.25SC..Hα-helixtrans-61.5-45177.1-71.7170.9000110.9I1316 V1318 K1324 I1706I1316-I1320 HydrophobicContact CG2-CD1 3.66Å; I1316-I1320 WeakPolarHBondContact O-CB 3.28Å; I1316-I1320 WeakPolarHBondContact O-CG1 3.31Å; I1316-I1320 PolarHBondContact O-N 3.3Å; V1318-I1320 PolarHBondContact O-N 3.23Å; I1320-K1324 WeakPolarHBondContact O-CB 3.35Å; I1320-K1324 PolarHBondContact O-N 3.45Å; I1320-I1706 HydrophobicContact CD1-CD1 4.36Å; I1320-I1706 HydrophobicContact CG1-CD1 4.25Å; I1320-I1706 HydrophobicContact CG1-CG1 4.36Å; I1320-I1706 HydrophobicContact CG1-CG2 3.92Å
1321L81.3Confident74.9Confident75 Ų7560.2 Ų60.239%0.39329%0.288SS..Hα-helixtrans-64.7-43.8-178.9-166.2159.8000111.1I674 I677 C1317 V1318 S1325I674-L1321 HydrophobicContact CG2-CD1 4.2Å; I674-L1321 HydrophobicContact CG2-CD2 4.39Å; I677-L1321 HydrophobicContact CD1-CD2 3.46Å; I677-L1321 VanDerWaalsContact CD1-CD2 3.46Å; C1317-L1321 VanDerWaalsContact O-CB 3.27Å; C1317-L1321 WeakPolarHBondContact O-CB 3.24Å; C1317-L1321 PolarHBondContact O-N 2.85Å; V1318-L1321 PolarHBondContact O-N 3.29Å; L1321-S1325 WeakPolarHBondContact O-CB 3.09Å; L1321-S1325 PolarHBondContact O-N 3.05Å
1322V78.3Confident73.4Confident2 Ų265.4 Ų65.41%0.01232%0.322CS..Hα-helixtrans-63.7-53.4177.11750000111I677 V1318 L1319 K1324 S1325 L1326 L1643 F1646I677-V1322 HydrophobicContact CD1-CG2 3.64Å; I677-V1322 HydrophobicContact CG1-CG2 4.28Å; V1318-V1322 HydrophobicContact CG1-CG2 4.42Å; V1318-V1322 VanDerWaalsContact O-CG2 3.24Å; V1318-V1322 WeakPolarHBondContact O-CG2 3.4Å; V1318-V1322 PolarHBondContact O-N 3.01Å; L1319-V1322 PolarHBondContact O-N 3.08Å; V1322-K1324 VanDerWaalsContact C-N 3.32Å; V1322-K1324 PolarHBondContact O-N 2.96Å; V1322-S1325 PolarHBondContact O-N 2.91Å; V1322-S1325 VanDerWaalsContact O-N 3.12Å; V1322-S1325 PolarHBondContact O-OG 2.88Å; V1322-L1326 HydrophobicContact CG1-CD1 4.18Å; V1322-L1326 WeakPolarHBondContact O-CG 3.16Å; V1322-L1326 PolarHBondContact O-N 3.25Å; V1322-L1643 HydrophobicContact CG1-CD1 3.87Å; V1322-F1646 HydrophobicContact CB-CB 4.44Å; V1322-F1646 HydrophobicContact CB-CD2 4.49Å; V1322-F1646 HydrophobicContact CB-CG 4.38Å; V1322-F1646 HydrophobicContact CG1-CB 4.15Å; V1322-F1646 HydrophobicContact CG1-CD2 3.88Å; V1322-F1646 HydrophobicContact CG1-CG 4.13Å; V1322-F1646 HydrophobicContact CG2-CB 3.85Å; V1322-F1646 HydrophobicContact CG2-CD1 3.59Å; V1322-F1646 HydrophobicContact CG2-CD2 3.72Å; V1322-F1646 HydrophobicContact CG2-CE1 4.06Å; V1322-F1646 HydrophobicContact CG2-CE2 4.2Å; V1322-F1646 HydrophobicContact CG2-CG 3.43Å; V1322-F1646 VanDerWaalsContact CG2-CG 3.43Å; V1322-F1646 HydrophobicContact CG2-CZ 4.36Å
1323L81.5Confident72Confident9 Ų966.7 Ų66.75%0.04734%0.335CS..Hα-helixtrans-59.1-42.4-179.1-74.7165.3000112.2L1319 L1326 Q1327 L1643 I1706 Y1710L1319-L1323 WeakPolarHBondContact O-CB 3.08Å; L1319-L1323 WeakPolarHBondContact O-CG 3.45Å; L1319-L1323 PolarHBondContact O-N 3.29Å; L1323-L1326 PolarHBondContact O-N 3.16Å; L1323-Q1327 PolarHBondContact O-N 2.64Å; L1323-L1643 HydrophobicContact CD2-CD1 3.88Å; L1323-L1643 HydrophobicContact CD2-CD2 3.81Å; L1323-L1643 HydrophobicContact CG-CD1 4.14Å; L1323-I1706 HydrophobicContact CD1-CG2 3.7Å; L1323-Y1710 HydrophobicContact CB-CD1 4.16Å; L1323-Y1710 HydrophobicContact CB-CD2 4.07Å; L1323-Y1710 HydrophobicContact CB-CE1 4.46Å; L1323-Y1710 HydrophobicContact CB-CE2 4.38Å; L1323-Y1710 HydrophobicContact CB-CG 3.97Å; L1323-Y1710 HydrophobicContact CD1-CD2 3.89Å; L1323-Y1710 HydrophobicContact CD1-CG 4.2Å
1324K80.9Confident70.8Confident135 Ų13566.1 Ų66.159%0.58734%0.338SS*.Hα-helixtrans-67.2-35177.2-166.7166.3-176.5172.10112.7I1320 V1322 Q1327 F1328 Y1710I1320-K1324 WeakPolarHBondContact O-CB 3.35Å; I1320-K1324 PolarHBondContact O-N 3.45Å; V1322-K1324 VanDerWaalsContact C-N 3.32Å; V1322-K1324 PolarHBondContact O-N 2.96Å; K1324-Q1327 PolarHBondContact O-N 2.68Å; K1324-F1328 PolarHBondContact O-N 2.85Å; K1324-Y1710 HydrophobicContact CB-CE1 4.33Å
1325S71.9Confident70.2Confident23 Ų2366.5 Ų66.516%0.16134%0.34CS..Hα-helixtrans-65.8-43.5173.977.20000112.2I677 L1321 V1322 Q1327 F1328 F1329I677-S1325 VanDerWaalsContact CG2-OG 3.26Å; I677-S1325 WeakPolarHBondContact CG2-OG 3.45Å; L1321-S1325 WeakPolarHBondContact O-CB 3.09Å; L1321-S1325 PolarHBondContact O-N 3.05Å; V1322-S1325 PolarHBondContact O-N 2.91Å; V1322-S1325 VanDerWaalsContact O-N 3.12Å; V1322-S1325 PolarHBondContact O-OG 2.88Å; S1325-Q1327 VanDerWaalsContact C-N 3.25Å; S1325-Q1327 PolarHBondContact O-N 3.5Å; S1325-F1328 PolarHBondContact O-N 3.26Å; S1325-F1329 WeakPolarHBondContact O-CD2 3.15Å
1326L70.6Confident69.9Low23 Ų2368.8 Ų68.812%0.1235%0.351CS..Hα-helixtrans-61.1-35.1177.6-67.9171.9000111.8L681 V1322 L1323 Y1639 L1643L681-L1326 HydrophobicContact CD2-CD2 4.24Å; V1322-L1326 HydrophobicContact CG1-CD1 4.18Å; V1322-L1326 WeakPolarHBondContact O-CG 3.16Å; V1322-L1326 PolarHBondContact O-N 3.25Å; L1323-L1326 PolarHBondContact O-N 3.16Å; L1326-Y1639 HydrophobicContact CD2-CD1 3.56Å; L1326-Y1639 HydrophobicContact CD2-CE1 4.36Å; L1326-Y1639 HydrophobicContact CD2-CG 3.97Å; L1326-L1643 HydrophobicContact CD1-CB 4.32Å; L1326-L1643 HydrophobicContact CD1-CD1 4.35Å; L1326-L1643 HydrophobicContact CD1-CD2 4.22Å
1327Q71.1Confident69.5Low132 Ų13269 Ų6962%0.61736%0.355SS*.Hα-helixtrans-71.1-37.5-179.4-167175.212.400112.9L1323 K1324 S1325 F1329L1323-Q1327 PolarHBondContact O-N 2.64Å; K1324-Q1327 PolarHBondContact O-N 2.68Å; S1325-Q1327 VanDerWaalsContact C-N 3.25Å; S1325-Q1327 PolarHBondContact O-N 3.5Å; Q1327-F1329 PolarHBondContact O-N 2.91Å
1328F66Low69.2Low179 Ų17965.9 Ų65.979%0.78533%0.333SS*.Hα-helixtrans-64.4-24.2-175.5-162-93.9000113.7K1324 S1325K1324-F1328 PolarHBondContact O-N 2.85Å; S1325-F1328 PolarHBondContact O-N 3.26Å
1329F57.4Low69.3Low58 Ų5866.4 Ų66.425%0.25434%0.336SS..THydrogen-bonded Turntrans-1025.6-170.2-84.2-79.2000114.8L681 N685 I689 S1325 Q1327L681-F1329 HydrophobicContact CB-CD2 4.04Å; L681-F1329 HydrophobicContact CB-CE2 4.15Å; L681-F1329 HydrophobicContact CB-CG 4.23Å; L681-F1329 HydrophobicContact CB-CZ 4.45Å; L681-F1329 HydrophobicContact CD1-CD2 3.82Å; L681-F1329 HydrophobicContact CD1-CE2 3.95Å; L681-F1329 HydrophobicContact CD2-CB 3.76Å; L681-F1329 HydrophobicContact CD2-CD2 3.75Å; L681-F1329 HydrophobicContact CD2-CG 3.91Å; L681-F1329 HydrophobicContact CG-CD2 4.09Å; L681-F1329 HydrophobicContact CG-CE2 4.46Å; N685-F1329 PolarHBondContact ND2-O 3.01Å; I689-F1329 HydrophobicContact CD1-CE1 4.27Å; S1325-F1329 WeakPolarHBondContact O-CD2 3.15Å; Q1327-F1329 PolarHBondContact O-N 2.91Å
1330K54.8Low69.3Low124 Ų12466.3 Ų66.354%0.53934%0.335SS..  trans-10399.2-175.6-164.4171.5-171.6174.70112.3E1636K1330-E1636 WeakPolarHBondContact CE-OE1 3.43Å; K1330-E1636 IonicContact NZ-OE1 2.73Å; K1330-E1636 PolarHBondContact NZ-OE1 3.01Å; K1330-E1636 IonicContact NZ-OE2 2.7Å; K1330-E1636 PolarHBondContact NZ-OE2 3.49Å
1331K49.9Very low69.1Low191 Ų19163.5 Ų63.583%0.8332%0.321SS*.PPolyproline II helixtrans-101.8139-177.1-154.1169.8-173.2178.20112.1
1332P49.7Very low68.9Low115 Ų11560.1 Ų60.175%0.74730%0.303SS*.PPolyproline II helixtrans-70.7140.5-179.727.9-35000112.8
1333S52.7Low68.7Low59 Ų5961.6 Ų61.641%0.41331%0.309SS..PPolyproline II helixtrans-89.7129.2174.456.10000111.3
1334S58Low68.2Low66 Ų6662.4 Ų62.446%0.46231%0.313SS..  trans-137.4116.817758.30000110.3N452 Q1336N452-S1334 PolarHBondContact OD1-N 2.98Å; N452-S1334 PolarHBondContact OD1-O 2.97Å; N452-S1334 VanDerWaalsContact OD1-O 3.1Å; S1334-Q1336 PolarHBondContact O-N 2.91Å
1335N62.6Low67.9Low29 Ų2956 Ų5616%0.15529%0.285CS..BIsolated β-bridgetrans-67.6124.7179.3-67.68000110.2D450 P1621D450-N1335 PolarHBondContact OD1-ND2 3.04Å; N1335-P1621 HydrophobicContact CB-CG 4.08Å
1336Q69.5Low67.8Low50 Ų5056.3 Ų56.323%0.23429%0.287CS..  trans-105.9156.3-177.7-66.3-177.49.600110.5T451 S1334 M1338T451-Q1336 WeakPolarHBondContact CB-O 3.31Å; T451-Q1336 PolarHBondContact OG1-N 3.48Å; T451-Q1336 PolarHBondContact OG1-O 3.42Å; S1334-Q1336 PolarHBondContact O-N 2.91Å; Q1336-M1338 PolarHBondContact O-N 3.45Å
1337P74.9Confident67.3Low41 Ų4157.3 Ų57.327%0.26629%0.293SS..  trans-67.7129.6174.227.7-34.1000110.9Y454 I1618 H1620Y454-P1337 VanDerWaalsContact CE1-O 3.24Å; Y454-P1337 WeakPolarHBondContact CE1-O 3.36Å; P1337-I1618 HydrophobicContact CB-CG2 3.87Å; P1337-H1620 HydrophobicContact CB-CB 4.29Å
1338M78.1Confident66.5Low2 Ų257.5 Ų57.51%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-122.1123.6-174.8-176.2169.684.600111.6T451 Y454 V456 Q1336 L1344 V1582 I1618 N1619T451-M1338 HydrophobicContact CG2-CB 3.83Å; T451-M1338 HydrophobicContact CG2-CE 4.12Å; T451-M1338 HydrophobicContact CG2-SD 4.41Å; Y454-M1338 HydrophobicContact CD1-CB 4.22Å; Y454-M1338 HydrophobicContact CD1-CG 4.02Å; Y454-M1338 HydrophobicContact CE1-CB 4.48Å; V456-M1338 HydrophobicContact CG2-SD 4.41Å; Q1336-M1338 PolarHBondContact O-N 3.45Å; M1338-L1344 HydrophobicContact CG-CD2 3.68Å; M1338-L1344 HydrophobicContact SD-CD2 4.12Å; M1338-V1582 HydrophobicContact CE-CB 4.38Å; M1338-V1582 HydrophobicContact CE-CG1 3.54Å; M1338-V1582 HydrophobicContact CE-CG2 3.88Å; M1338-I1618 CarbonylContact O-C 3.39Å; M1338-I1618 WeakPolarHBondContact O-CA 3.47Å; M1338-I1618 WeakPolarHBondContact O-CG2 3.2Å; M1338-N1619 PolarHBondContact N-O 3.47Å; M1338-N1619 PolarHBondContact O-N 2.93Å
1339I79.9Confident65.9Low17 Ų1754.4 Ų54.49%0.08729%0.285CS..EExtended strand (participates in β ladder)trans-72.7140178.1-38.1179000109.8T1341 L1344 I1413 I1616 I1618I1339-T1341 HydrophobicContact CG2-CG2 3.93Å; I1339-T1341 PolarHBondContact O-N 3.32Å; I1339-L1344 WeakPolarHBondContact O-CD2 3.27Å; I1339-I1413 HydrophobicContact CD1-CB 4.4Å; I1339-I1413 HydrophobicContact CD1-CD1 3.73Å; I1339-I1413 HydrophobicContact CD1-CG2 3.94Å; I1339-I1413 HydrophobicContact CG1-CD1 4.33Å; I1339-I1413 HydrophobicContact CG1-CG2 3.92Å; I1339-I1616 HydrophobicContact CG2-CG2 3.61Å; I1339-I1618 HydrophobicContact CG2-CG1 4.45Å
1340I82.1Confident65.6Low0 Ų055.8 Ų55.80%030%0.295CS..  trans-97.589.4-177.2-60.9177.5000109.3F481 V1582 P1585 A1586 N1589 F1617 N1619F481-I1340 HydrophobicContact CE1-CD1 3.7Å; F481-I1340 HydrophobicContact CE2-CD1 4.46Å; F481-I1340 HydrophobicContact CZ-CD1 3.35Å; I1340-V1582 HydrophobicContact CG1-CG1 4.36Å; I1340-V1582 HydrophobicContact CG2-CB 4.47Å; I1340-P1585 HydrophobicContact CG2-CB 3.69Å; I1340-P1585 HydrophobicContact CG2-CG 4.1Å; I1340-P1585 WeakPolarHBondContact CG2-O 3.49Å; I1340-A1586 HydrophobicContact CG2-CB 4.14Å; I1340-N1589 PolarHBondContact O-ND2 2.98Å; I1340-F1617 HydrophobicContact CB-CB 4.26Å; I1340-F1617 HydrophobicContact CD1-CB 4.09Å; I1340-F1617 PolarHBondContact N-O 3.24Å; I1340-N1619 HydrophobicContact CD1-CB 4.13Å; I1340-N1619 HydrophobicContact CG1-CB 4.45Å
1341T79.8Confident65.6Low3 Ų357.7 Ų57.72%0.01830%0.304CS..  trans-144.6146.5-175.652.10000112.4I1339 W1343 L1344 I1402I1339-T1341 HydrophobicContact CG2-CG2 3.93Å; I1339-T1341 PolarHBondContact O-N 3.32Å; T1341-W1343 VanDerWaalsContact CB-CH2 3.43Å; T1341-W1343 HydrophobicContact CG2-CH2 3.31Å; T1341-W1343 HydrophobicContact CG2-CZ2 3.59Å; T1341-W1343 HydrophobicContact CG2-CZ3 3.98Å; T1341-L1344 WeakPolarHBondContact O-CB 3.3Å; T1341-L1344 PolarHBondContact O-N 2.99Å; T1341-I1402 HydrophobicContact CG2-CD1 4.1Å; T1341-I1402 HydrophobicContact CG2-CG2 4.02Å
1342P77.3Confident66.1Low4 Ų451.6 Ų51.63%0.02628%0.28CS..G310 helixtrans-66.2-40.6-173.2-2838000115.8L1344 M1345 L1354 A1586 Y1587 T1590P1342-L1344 PolarHBondContact O-N 2.92Å; P1342-L1344 VanDerWaalsContact O-N 3.17Å; P1342-M1345 HydrophobicContact CB-CE 4.31Å; P1342-M1345 WeakPolarHBondContact O-CB 3.29Å; P1342-M1345 WeakPolarHBondContact O-CE 3.28Å; P1342-M1345 PolarHBondContact O-N 3.01Å; P1342-L1354 HydrophobicContact CB-CD2 4.04Å; P1342-A1586 HydrophobicContact CG-CB 4.05Å; P1342-Y1587 HydrophobicContact CB-CE1 4.17Å; P1342-Y1587 HydrophobicContact CB-CE2 4.42Å; P1342-Y1587 HydrophobicContact CG-CD1 4.33Å; P1342-Y1587 HydrophobicContact CG-CE1 4.23Å; P1342-T1590 HydrophobicContact CG-CG2 3.6Å
1343W73.6Confident67.1Low34 Ų3448.5 Ų48.513%0.12926%0.26CS..G310 helixtrans-69.8-10.1-178.76689.3000113.2T1341 M1345 S1346 I1402 T1476T1341-W1343 VanDerWaalsContact CB-CH2 3.43Å; T1341-W1343 HydrophobicContact CG2-CH2 3.31Å; T1341-W1343 HydrophobicContact CG2-CZ2 3.59Å; T1341-W1343 HydrophobicContact CG2-CZ3 3.98Å; W1343-M1345 PolarHBondContact O-N 2.88Å; W1343-S1346 VanDerWaalsContact O-CB 3.29Å; W1343-S1346 WeakPolarHBondContact O-CB 3.37Å; W1343-S1346 PolarHBondContact O-N 3.48Å; W1343-S1346 PolarHBondContact O-OG 3.39Å; W1343-I1402 HydrophobicContact CH2-CB 3.74Å; W1343-I1402 HydrophobicContact CH2-CG2 3.73Å; W1343-I1402 HydrophobicContact CZ2-CG2 4.23Å; W1343-T1476 HydrophobicContact CD2-CG2 4.4Å; W1343-T1476 HydrophobicContact CE3-CG2 4.28Å
1344L71.5Confident68.3Low26 Ų2645.8 Ų45.814%0.13624%0.241CC..G310 helixtrans-66.3-17.8167.9-157.580.1000112V456 M1338 I1339 T1341 P1342 S1346 Y1417V456-L1344 HydrophobicContact CG1-CD2 4.39Å; V456-L1344 HydrophobicContact CG2-CD2 3.82Å; V456-L1344 HydrophobicContact CG2-CG 3.94Å; V456-L1344 WeakPolarHBondContact CG2-O 3.42Å; M1338-L1344 HydrophobicContact CG-CD2 3.68Å; M1338-L1344 HydrophobicContact SD-CD2 4.12Å; I1339-L1344 WeakPolarHBondContact O-CD2 3.27Å; T1341-L1344 WeakPolarHBondContact O-CB 3.3Å; T1341-L1344 PolarHBondContact O-N 2.99Å; P1342-L1344 PolarHBondContact O-N 2.92Å; P1342-L1344 VanDerWaalsContact O-N 3.17Å; L1344-S1346 VanDerWaalsContact C-N 3.29Å; L1344-Y1417 HydrophobicContact CD1-CE1 3.75Å
1345M75.2Confident69.5Low1 Ų142.9 Ų42.91%0.00522%0.22CC..G310 helixtrans-866.3170.8-65.7173.9-76.100113.3V456 L457 P1342 W1343 L1354 Y1504 A1586 Y1587V456-M1345 HydrophobicContact CB-CG 4.31Å; V456-M1345 HydrophobicContact CG1-CG 3.48Å; V456-M1345 VanDerWaalsContact CG1-CG 3.48Å; L457-M1345 HydrophobicContact CD2-CB 4.13Å; L457-M1345 HydrophobicContact CD2-CG 4.02Å; P1342-M1345 HydrophobicContact CB-CE 4.31Å; P1342-M1345 WeakPolarHBondContact O-CB 3.29Å; P1342-M1345 WeakPolarHBondContact O-CE 3.28Å; P1342-M1345 PolarHBondContact O-N 3.01Å; W1343-M1345 PolarHBondContact O-N 2.88Å; M1345-L1354 HydrophobicContact CB-CD1 3.96Å; M1345-Y1504 HydrophobicContact CB-CD2 3.85Å; M1345-Y1504 HydrophobicContact CB-CE2 4.09Å; M1345-Y1504 HydrophobicContact CB-CG 4.24Å; M1345-Y1504 HydrophobicContact SD-CD1 4.1Å; M1345-Y1504 HydrophobicContact SD-CD2 4.44Å; M1345-Y1504 HydrophobicContact SD-CG 3.86Å; M1345-A1586 HydrophobicContact CE-CB 4.23Å; M1345-Y1587 HydrophobicContact CE-CE2 3.92Å
1346S69.6Low70.5Confident28 Ų2841.5 Ų41.520%0.19621%0.212CC..SBendtrans-75.9149.2168.567.50000111.1W1343 L1344 Y1420W1343-S1346 VanDerWaalsContact O-CB 3.29Å; W1343-S1346 WeakPolarHBondContact O-CB 3.37Å; W1343-S1346 PolarHBondContact O-N 3.48Å; W1343-S1346 PolarHBondContact O-OG 3.39Å; L1344-S1346 VanDerWaalsContact C-N 3.29Å; S1346-Y1420 PolarHBondContact OG-OH 2.96Å
1347D59.9Low71.4Confident44 Ų4439.1 Ų39.124%0.23520%0.201CC..  trans-76.3134.3-174.5-153.4-33.7000110.9S733 N1349 N1350S733-D1347 WeakPolarHBondContact CB-OD2 3.46Å; S733-D1347 PolarHBondContact OG-OD2 3.09Å; D1347-N1349 PolarHBondContact O-N 3.18Å; D1347-N1350 PolarHBondContact O-N 3.31Å
1348E54Low72Confident137 Ų13737.3 Ų37.364%0.6419%0.189SC*.THydrogen-bonded Turntrans-53.1-26.8-163.4-72.1-168.3114.400114.4N1350 Y1416E1348-N1350 PolarHBondContact O-N 3.44Å; E1348-Y1416 VanDerWaalsContact OE1-CE1 3.25Å; E1348-Y1416 WeakPolarHBondContact OE1-CE1 3.34Å; E1348-Y1416 PolarHBondContact OE1-OH 3.21Å
1349N54.3Low72.4Confident113 Ų11337.6 Ų37.660%0.60419%0.19SC*.THydrogen-bonded Turntrans-87.58.8-176.6-71.3-75000114.9D1347 K1351D1347-N1349 PolarHBondContact O-N 3.18Å; N1349-K1351 HydrophobicContact CB-CD 4.28Å; N1349-K1351 HydrophobicContact CB-CG 4.15Å; N1349-K1351 PolarHBondContact O-N 3.27Å
1350N51.1Low72.6Confident87 Ų8737 Ų3747%0.46519%0.187SC..SBendtrans57.315-178.7-68.7-55.8000115.5D1347 E1348 Y1420D1347-N1350 PolarHBondContact O-N 3.31Å; E1348-N1350 PolarHBondContact O-N 3.44Å; N1350-Y1420 PolarHBondContact OD1-OH 2.86Å
1351K53.9Low72.3Confident165 Ų16538.2 Ų38.272%0.71719%0.194SC*.  trans-78.6-23.7-170.9-72.6-178.8-179.2173.50114.7N1349N1349-K1351 HydrophobicContact CB-CD 4.28Å; N1349-K1351 HydrophobicContact CB-CG 4.15Å; N1349-K1351 PolarHBondContact O-N 3.27Å
1352L59.7Low71.9Confident63 Ų6339.1 Ų39.133%0.3320%0.198SC..SBendtrans-133.4119.8-173.8-57.5174.4000108.8Q1502L1352-Q1502 HydrophobicContact CB-CG 4.32Å
1353P71.1Confident71.3Confident50 Ų5042.7 Ų42.733%0.32521%0.212SC..PPolyproline II helixtrans-71.7151.3177.430.4-34.3000111.3K1477 I1479P1353-K1477 WeakPolarHBondContact CB-O 3.37Å; P1353-I1479 HydrophobicContact CB-CD1 4.33Å; P1353-I1479 HydrophobicContact CB-CG1 4.14Å; P1353-I1479 HydrophobicContact CG-CD1 3.7Å; P1353-I1479 HydrophobicContact CG-CG1 4.08Å
1354L77.5Confident70.5Confident2 Ų246.6 Ų46.61%0.0123%0.232CC..PPolyproline II helixtrans-75.4128.8174.7-159.297.3000109.1P1342 M1345 T1356 D1478 I1479 Y1504P1342-L1354 HydrophobicContact CB-CD2 4.04Å; M1345-L1354 HydrophobicContact CB-CD1 3.96Å; L1354-T1356 HydrophobicContact CD2-CG2 3.8Å; L1354-D1478 HydrophobicContact CB-CB 4.25Å; L1354-D1478 WeakPolarHBondContact CB-OD1 3.39Å; L1354-D1478 CarbonylContact O-C 3.59Å; L1354-D1478 VanDerWaalsContact O-CA 3.31Å; L1354-D1478 WeakPolarHBondContact O-CA 3.27Å; L1354-D1478 WeakPolarHBondContact O-CB 3.47Å; L1354-I1479 PolarHBondContact O-N 3.19Å; L1354-Y1504 HydrophobicContact CD1-CD2 3.82Å; L1354-Y1504 HydrophobicContact CD1-CE2 4.4Å
1355N82.9Confident69.8Low5 Ų548.7 Ų48.73%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-99.4123.2177.6-64.4-22.8000109.6I1479 Y1499 Q1502 R1503N1355-I1479 WeakPolarHBondContact CA-O 3.21Å; N1355-I1479 WeakPolarHBondContact OD1-CB 3.18Å; N1355-Y1499 WeakPolarHBondContact ND2-CD1 3.5Å; N1355-Y1499 WeakPolarHBondContact ND2-CE1 3.32Å; N1355-Q1502 HydrophobicContact CB-CB 4.4Å; N1355-Q1502 PolarHBondContact N-O 3Å; N1355-Q1502 PolarHBondContact ND2-OE1 3.29Å; N1355-R1503 HydrophobicContact CB-CB 4.39Å; N1355-R1503 WeakPolarHBondContact O-CA 3.22Å; N1355-R1503 WeakPolarHBondContact O-CG 3.23Å
1356T84.9Confident68.5Low0 Ų056.5 Ų56.50%028%0.279CS..EExtended strand (participates in β ladder)trans-122.6163.9179.764.50000110L1354 W1399 I1479 L1481 Y1587L1354-T1356 HydrophobicContact CD2-CG2 3.8Å; T1356-W1399 HydrophobicContact CG2-CZ2 4.26Å; T1356-W1399 PolarHBondContact OG1-NE1 3.27Å; T1356-I1479 PolarHBondContact N-O 3.03Å; T1356-L1481 WeakPolarHBondContact O-CB 3.45Å; T1356-L1481 WeakPolarHBondContact O-CG 3.3Å; T1356-L1481 PolarHBondContact O-N 3.48Å; T1356-Y1587 HydrophobicContact CG2-CE1 4.03Å
1357F88.3Confident67.4Low0 Ų057.8 Ų57.80%028%0.284CS..EExtended strand (participates in β ladder)trans-147.2157.4-179.468-93.4000115F540 W1399 L1481 L1483 V1488 L1492 R1503 G1506 L1507 W1575F540-F1357 AromaticContact CE1-CE1 3.91Å; F540-F1357 HydrophobicContact CE1-CE1 3.91Å; F540-F1357 HydrophobicContact CE1-CZ 4.18Å; F540-F1357 AromaticContact CZ-CE1 3.79Å; F540-F1357 HydrophobicContact CZ-CE1 3.79Å; F1357-W1399 VanDerWaalsContact O-CH2 3.27Å; F1357-W1399 WeakPolarHBondContact O-CH2 3.07Å; F1357-L1481 CarbonylContact C-O 3.55Å; F1357-L1481 WeakPolarHBondContact CA-O 3.29Å; F1357-L1481 HydrophobicContact CB-CB 4.15Å; F1357-L1481 WeakPolarHBondContact CB-O 3.27Å; F1357-L1483 HydrophobicContact CB-CD1 3.65Å; F1357-L1483 HydrophobicContact CB-CG 3.95Å; F1357-L1483 HydrophobicContact CD1-CD1 4.3Å; F1357-L1483 HydrophobicContact CD2-CD1 3.69Å; F1357-L1483 HydrophobicContact CD2-CG 4.46Å; F1357-L1483 HydrophobicContact CE2-CD1 4.38Å; F1357-L1483 HydrophobicContact CG-CD1 3.63Å; F1357-L1483 HydrophobicContact CG-CG 4.41Å; F1357-V1488 HydrophobicContact CE2-CG1 3.64Å; F1357-V1488 HydrophobicContact CE2-CG2 4.21Å; F1357-V1488 HydrophobicContact CZ-CG1 3.86Å; F1357-L1492 HydrophobicContact CE1-CD1 4.45Å; F1357-L1492 HydrophobicContact CE1-CD2 3.94Å; F1357-L1492 HydrophobicContact CZ-CD1 4.11Å; F1357-L1492 HydrophobicContact CZ-CD2 4.36Å; F1357-R1503 HydrophobicContact CD1-CG 4.42Å; F1357-G1506 CarbonylContact O-C 3.51Å; F1357-G1506 WeakPolarHBondContact O-CA 3.47Å; F1357-L1507 PolarHBondContact O-N 3.49Å; F1357-W1575 HydrophobicContact CE2-CB 4.27Å; F1357-W1575 AromaticContact CE2-CD1 3.89Å; F1357-W1575 HydrophobicContact CE2-CG 4.15Å; F1357-W1575 HydrophobicContact CZ-CB 3.62Å; F1357-W1575 AromaticContact CZ-CG 3.85Å; F1357-W1575 HydrophobicContact CZ-CG 3.85Å
1358Y87.7Confident67Low3 Ų356.7 Ų56.71%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-124.9149.5169.7176.3-114.6000111.9N1360 E1390 L1393 F1480 L1481 N1482 L1483 L1507 F1572Y1358-N1360 HydrophobicContact CE1-CB 3.81Å; Y1358-E1390 HydrophobicContact CE1-CB 4.41Å; Y1358-E1390 HydrophobicContact CE1-CG 4.03Å; Y1358-L1393 HydrophobicContact CD1-CD1 3.69Å; Y1358-L1393 HydrophobicContact CD2-CD1 3.44Å; Y1358-L1393 VanDerWaalsContact CD2-CD1 3.44Å; Y1358-L1393 HydrophobicContact CE1-CD1 3.7Å; Y1358-L1393 HydrophobicContact CE2-CD1 3.48Å; Y1358-L1393 VanDerWaalsContact CE2-CD1 3.48Å; Y1358-L1393 HydrophobicContact CG-CD1 3.54Å; Y1358-F1480 VanDerWaalsContact CB-CZ 3.4Å; Y1358-F1480 HydrophobicContact CG-CZ 4.32Å; Y1358-L1481 PolarHBondContact N-O 3.34Å; Y1358-N1482 PolarHBondContact O-OD1 2.96Å; Y1358-L1483 PolarHBondContact O-N 3.46Å; Y1358-L1507 CarbonylContact C-O 3.6Å; Y1358-L1507 VanDerWaalsContact CA-O 3.26Å; Y1358-L1507 WeakPolarHBondContact CA-O 3.42Å; Y1358-L1507 HydrophobicContact CD2-CB 4.35Å; Y1358-L1507 WeakPolarHBondContact CD2-O 3.2Å; Y1358-F1572 HydrophobicContact CE2-CE1 4.27Å
1359E86.4Confident66.8Low8 Ų854.7 Ų54.74%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-137.3128.3170.6167.7-174.4-11900109N1361 R1444 V1488 L1507 S1508 Y1509 H1510E1359-N1361 HydrophobicContact CG-CB 4.24Å; E1359-R1444 IonicContact OE1-NH2 3.52Å; E1359-R1444 PolarHBondContact OE1-NH2 3.36Å; E1359-V1488 HydrophobicContact CB-CG2 3.92Å; E1359-V1488 VanDerWaalsContact CD-CG2 3.41Å; E1359-V1488 HydrophobicContact CG-CG2 4.15Å; E1359-V1488 VanDerWaalsContact OE1-CG2 3.25Å; E1359-V1488 WeakPolarHBondContact OE1-CG2 3.49Å; E1359-L1507 PolarHBondContact N-O 2.93Å; E1359-S1508 CarbonylContact O-C 3.58Å; E1359-S1508 VanDerWaalsContact O-CA 3.23Å; E1359-S1508 WeakPolarHBondContact O-CA 3.46Å; E1359-S1508 WeakPolarHBondContact OE2-CB 3.4Å; E1359-S1508 PolarHBondContact OE2-OG 2.9Å; E1359-Y1509 PolarHBondContact O-N 3.01Å; E1359-H1510 IonicContact OE2-CE1 3.7Å
1360N83.2Confident66.5Low4 Ų454.3 Ų54.32%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-102.697.5166.8-174.7-6.4000107.9Y1358 L1362 Y1363 E1390 T1484Y1358-N1360 HydrophobicContact CE1-CB 3.81Å; N1360-L1362 PolarHBondContact O-N 2.86Å; N1360-L1362 WeakPolarHBondContact OD1-CB 3.26Å; N1360-L1362 PolarHBondContact OD1-N 3.28Å; N1360-Y1363 HydrophobicContact CB-CD2 4.16Å; N1360-Y1363 HydrophobicContact CB-CE2 4.03Å; N1360-Y1363 WeakPolarHBondContact O-CD2 3.24Å; N1360-E1390 PolarHBondContact ND2-OE2 3Å; N1360-T1484 HydrophobicContact CB-CG2 3.78Å
1361N76.1Confident66.3Low25 Ų2556.5 Ų56.513%0.13429%0.286CS..G310 helixtrans-814.6-171.8-153.740.6000113.9E1359 Y1363 E1364 R1444 Y1509E1359-N1361 HydrophobicContact CG-CB 4.24Å; N1361-Y1363 PolarHBondContact O-N 3.32Å; N1361-E1364 PolarHBondContact ND2-OE2 3.47Å; N1361-E1364 VanDerWaalsContact O-CB 3.3Å; N1361-E1364 WeakPolarHBondContact O-CB 3.5Å; N1361-E1364 PolarHBondContact O-N 3.33Å; N1361-R1444 PolarHBondContact OD1-NH1 3.44Å; N1361-R1444 PolarHBondContact OD1-NH2 2.85Å; N1361-Y1509 WeakPolarHBondContact CB-O 3.39Å; N1361-Y1509 PolarHBondContact N-O 3.39Å
1362L71.1Confident65.9Low22 Ų2251.5 Ų51.512%0.11527%0.267CS..G310 helixtrans-62-28.1174.5-157.376.8000112.1N1360 E1364 L1365 L1383 A1386 T1511N1360-L1362 PolarHBondContact O-N 2.86Å; N1360-L1362 WeakPolarHBondContact OD1-CB 3.26Å; N1360-L1362 PolarHBondContact OD1-N 3.28Å; L1362-E1364 PolarHBondContact O-N 3.35Å; L1362-L1365 PolarHBondContact O-N 3.06Å; L1362-L1383 HydrophobicContact CD2-CB 4.09Å; L1362-L1383 HydrophobicContact CD2-CD1 3.94Å; L1362-L1383 HydrophobicContact CD2-CG 3.68Å; L1362-A1386 HydrophobicContact CD2-CB 4.44Å; L1362-T1511 HydrophobicContact CD1-CG2 3.75Å
1363Y64.6Low65.2Low80 Ų8054.3 Ų54.331%0.31428%0.282SS..G310 helixtrans-73.33.6174.2-57.8-75.9000114.2N1360 N1361 P1368 H1437 T1484N1360-Y1363 HydrophobicContact CB-CD2 4.16Å; N1360-Y1363 HydrophobicContact CB-CE2 4.03Å; N1360-Y1363 WeakPolarHBondContact O-CD2 3.24Å; N1361-Y1363 PolarHBondContact O-N 3.32Å; Y1363-P1368 HydrophobicContact CD1-CG 4.14Å; Y1363-H1437 AromaticContact CD1-CD2 3.82Å; Y1363-H1437 AromaticContact CD1-NE2 3.73Å; Y1363-T1484 HydrophobicContact CD2-CG2 4.29Å; Y1363-T1484 HydrophobicContact CE2-CG2 4.46Å
1364E57.6Low64Low116 Ų11659.4 Ų59.454%0.54231%0.306SS..G310 helixtrans-84.9-19.5169.5-156.8164.6-121.300112.7N1361 L1362 R1444N1361-E1364 PolarHBondContact ND2-OE2 3.47Å; N1361-E1364 VanDerWaalsContact O-CB 3.3Å; N1361-E1364 WeakPolarHBondContact O-CB 3.5Å; N1361-E1364 PolarHBondContact O-N 3.33Å; L1362-E1364 PolarHBondContact O-N 3.35Å; E1364-R1444 IonicContact OE1-NH1 3.86Å
1365L56.5Low62.6Low69 Ų6967.2 Ų67.236%0.36134%0.34SS..SBendtrans-80.6139.6171.7-61.4171.2000109.4L1362 N1367L1362-L1365 PolarHBondContact O-N 3.06Å; L1365-N1367 PolarHBondContact O-N 2.95Å
1366E47.9Very low61.3Low165 Ų16569.7 Ų69.777%0.77136%0.358SS*.SBendtrans-63.5123.2-168.9-62.1-166115.200113.5
1367N47.6Very low60.1Low56 Ų5676.6 Ų76.630%0.29940%0.395SS..  trans41.680.2173.6-79.535.4000114.2L1365 T1369 D1370 K1441L1365-N1367 PolarHBondContact O-N 2.95Å; N1367-T1369 PolarHBondContact O-N 2.67Å; N1367-D1370 PolarHBondContact ND2-OD2 2.97Å; N1367-D1370 PolarHBondContact O-N 2.87Å; N1367-K1441 PolarHBondContact OD1-NZ 3.21Å
1368P50.9Low58.6Low21 Ų2179.5 Ų79.514%0.13641%0.412CS..THydrogen-bonded Turntrans-63.7-10.8-17325-35000115.5Y1363 L1383Y1363-P1368 HydrophobicContact CD1-CG 4.14Å; P1368-L1383 HydrophobicContact CB-CD1 4.34Å
1369T50.2Low57.3Low95 Ų9582.7 Ų82.758%0.58343%0.426SS*.THydrogen-bonded Turntrans-86.2-37.1179.545.60000113.9N1367N1367-T1369 PolarHBondContact O-N 2.67Å
1370D47.5Very low56.2Low105 Ų10588.3 Ų88.356%0.56145%0.451SS*.THydrogen-bonded Turntrans-100.4-38.5-155.4-48.3-26.8000112.7N1367N1367-D1370 PolarHBondContact ND2-OD2 2.97Å; N1367-D1370 PolarHBondContact O-N 2.87Å
1371N45.8Very low55.3Low132 Ų13290.3 Ų90.371%0.70647%0.465SS*.SBendtrans-99.8-7.3-175.5-84.6-31.7000114.8
1372L45.8Very low55Low61 Ų6189.5 Ų89.532%0.31946%0.461SS..SBendtrans-100.6-8.4-167.1-97.1160.6000115.7N1374 F1379L1372-N1374 VanDerWaalsContact C-N 3.35Å; L1372-N1374 PolarHBondContact O-N 3.48Å; L1372-F1379 HydrophobicContact CD2-CB 3.98Å; L1372-F1379 HydrophobicContact CD2-CD1 4.36Å; L1372-F1379 HydrophobicContact CD2-CG 4.09Å
1373L45.5Very low54.9Low122 Ų12291.4 Ų91.464%0.63947%0.471SS*.THydrogen-bonded Turntrans-69.5-27.5-178.5-84.2164.1000114.2
1374N46.7Very low55.2Low157 Ų15791.6 Ų91.684%0.8448%0.478SS*.THydrogen-bonded Turntrans-102.11.3-171.3-71.5-5.4000115.3L1372L1372-N1374 VanDerWaalsContact C-N 3.35Å; L1372-N1374 PolarHBondContact O-N 3.48Å
1375K46.4Very low55.9Low166 Ų16686.9 Ų86.972%0.72246%0.456SS*.SBendtrans-12480.3-177.2-72.9-173.8177178.30113.7
1376S56.9Low56.8Low57 Ų5783.6 Ų83.640%0.39944%0.439SS..  trans74.6130.7167.776.30000118.3T1378 F1379S1376-T1378 PolarHBondContact O-N 2.92Å; S1376-T1378 PolarHBondContact OG-OG1 3.46Å; S1376-T1378 VanDerWaalsContact OG-OG1 3.08Å; S1376-F1379 PolarHBondContact O-N 3.16Å; S1376-F1379 VanDerWaalsContact O-N 3.14Å
1377N58.7Low58Low145 Ų14582.8 Ų82.878%0.77543%0.429SS*.Hα-helixtrans-54.7-23.5178.8-71-17.9000114.3F1379 K1380 S1381N1377-F1379 VanDerWaalsContact C-N 3.33Å; N1377-F1379 PolarHBondContact O-N 3.38Å; N1377-K1380 PolarHBondContact O-N 3.47Å; N1377-S1381 PolarHBondContact O-N 3.08Å
1378T58.2Low59.4Low61 Ų6182.9 Ų82.937%0.37443%0.429SS..Hα-helixtrans-66.1-25.9178.834.60000114.6S1376 S1381 V1382S1376-T1378 PolarHBondContact O-N 2.92Å; S1376-T1378 PolarHBondContact OG-OG1 3.46Å; S1376-T1378 VanDerWaalsContact OG-OG1 3.08Å; T1378-S1381 PolarHBondContact O-OG 3.07Å; T1378-V1382 WeakPolarHBondContact O-CG2 3.37Å
1379F60.3Low60.7Low70 Ų7082 Ų8231%0.30742%0.423SS..Hα-helixtrans-81.3-36173.5-82.7-79000112L1372 S1376 N1377 S1381 V1382 L1383L1372-F1379 HydrophobicContact CD2-CB 3.98Å; L1372-F1379 HydrophobicContact CD2-CD1 4.36Å; L1372-F1379 HydrophobicContact CD2-CG 4.09Å; S1376-F1379 PolarHBondContact O-N 3.16Å; S1376-F1379 VanDerWaalsContact O-N 3.14Å; N1377-F1379 VanDerWaalsContact C-N 3.33Å; N1377-F1379 PolarHBondContact O-N 3.38Å; F1379-S1381 VanDerWaalsContact C-N 3.33Å; F1379-S1381 PolarHBondContact O-N 2.89Å; F1379-V1382 PolarHBondContact O-N 3.36Å; F1379-L1383 PolarHBondContact O-N 3.49Å
1380K62.7Low61.9Low125 Ų12578.3 Ų78.354%0.54340%0.399SS..Hα-helixtrans-64-36.8178.7-161.9168.5-173.5171.50112.3N1377 N1384N1377-K1380 PolarHBondContact O-N 3.47Å; K1380-N1384 PolarHBondContact O-N 2.97Å; K1380-N1384 VanDerWaalsContact O-N 3.13Å; K1380-N1384 PolarHBondContact O-OD1 2.97Å
1381S65.4Low63.2Low46 Ų4676.1 Ų76.132%0.32239%0.388SS..Hα-helixtrans-68-40.3172.957.20000112.9N1377 T1378 F1379 N1384 I1385N1377-S1381 PolarHBondContact O-N 3.08Å; T1378-S1381 PolarHBondContact O-OG 3.07Å; F1379-S1381 VanDerWaalsContact C-N 3.33Å; F1379-S1381 PolarHBondContact O-N 2.89Å; S1381-N1384 PolarHBondContact O-N 3.36Å; S1381-I1385 WeakPolarHBondContact O-CB 3.2Å; S1381-I1385 WeakPolarHBondContact O-CD1 3.48Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.43Å; S1381-I1385 PolarHBondContact O-N 3.3Å
1382V68.5Low64.5Low8 Ų870.2 Ų70.25%0.04836%0.357CS..Hα-helixtrans-61.6-43.2175.6169.20000111.6T1378 F1379 I1385 A1386 Y1509 T1511 I1569T1378-V1382 WeakPolarHBondContact O-CG2 3.37Å; F1379-V1382 PolarHBondContact O-N 3.36Å; V1382-I1385 PolarHBondContact O-N 3.17Å; V1382-A1386 PolarHBondContact O-N 3.03Å; V1382-Y1509 PolarHBondContact O-OH 2.98Å; V1382-T1511 HydrophobicContact CG1-CG2 3.57Å; V1382-I1569 HydrophobicContact CG2-CG2 3.94Å
1383L68.9Low65.8Low62 Ų6267.6 Ų67.633%0.32534%0.343SS..Hα-helixtrans-66-43.2179.3-162.3150.4000111.8L1362 P1368 F1379 I1385 A1386 W1387L1362-L1383 HydrophobicContact CD2-CB 4.09Å; L1362-L1383 HydrophobicContact CD2-CD1 3.94Å; L1362-L1383 HydrophobicContact CD2-CG 3.68Å; P1368-L1383 HydrophobicContact CB-CD1 4.34Å; F1379-L1383 PolarHBondContact O-N 3.49Å; L1383-I1385 VanDerWaalsContact C-N 3.33Å; L1383-I1385 PolarHBondContact O-N 3.25Å; L1383-A1386 PolarHBondContact O-N 3.02Å; L1383-W1387 PolarHBondContact O-N 3.32Å
1384N71.6Confident66.8Low85 Ų8565.7 Ų65.746%0.45533%0.33SS..Hα-helixtrans-60.8-40.4172.2-74.25.7000112.3K1380 S1381 W1387 N1388K1380-N1384 PolarHBondContact O-N 2.97Å; K1380-N1384 VanDerWaalsContact O-N 3.13Å; K1380-N1384 PolarHBondContact O-OD1 2.97Å; S1381-N1384 PolarHBondContact O-N 3.36Å; N1384-W1387 PolarHBondContact O-N 3.46Å; N1384-N1388 PolarHBondContact O-N 2.99Å
1385I72.3Confident67.8Low16 Ų1661.8 Ų61.88%0.08231%0.306CS..Hα-helixtrans-63-47176.6-71.8164.6000110.3H530 I533 S1381 V1382 L1383 W1387 N1388 Y1389H530-I1385 HydrophobicContact CB-CD1 3.9Å; I533-I1385 HydrophobicContact CD1-CG2 3.75Å; S1381-I1385 WeakPolarHBondContact O-CB 3.2Å; S1381-I1385 WeakPolarHBondContact O-CD1 3.48Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.43Å; S1381-I1385 PolarHBondContact O-N 3.3Å; V1382-I1385 PolarHBondContact O-N 3.17Å; L1383-I1385 VanDerWaalsContact C-N 3.33Å; L1383-I1385 PolarHBondContact O-N 3.25Å; I1385-W1387 VanDerWaalsContact C-N 3.3Å; I1385-W1387 PolarHBondContact O-N 3.02Å; I1385-N1388 PolarHBondContact O-N 3.3Å; I1385-Y1389 HydrophobicContact CG2-CD2 3.95Å; I1385-Y1389 HydrophobicContact CG2-CE2 3.8Å; I1385-Y1389 VanDerWaalsContact O-CD2 3.28Å; I1385-Y1389 WeakPolarHBondContact O-CD2 3.25Å; I1385-Y1389 PolarHBondContact O-N 3.23Å; I1385-Y1389 VanDerWaalsContact O-N 3.15Å
1386A74.3Confident68.4Low1 Ų155.5 Ų55.51%0.00828%0.283CS..Hα-helixtrans-55.8-45.6176.600000111.8L1362 V1382 L1383 N1388 Y1389 E1390 Y1509L1362-A1386 HydrophobicContact CD2-CB 4.44Å; V1382-A1386 PolarHBondContact O-N 3.03Å; L1383-A1386 PolarHBondContact O-N 3.02Å; A1386-N1388 PolarHBondContact O-N 2.98Å; A1386-Y1389 PolarHBondContact O-N 2.7Å; A1386-E1390 PolarHBondContact O-N 2.83Å; A1386-Y1509 HydrophobicContact CB-CD1 3.98Å; A1386-Y1509 HydrophobicContact CB-CE1 3.57Å; A1386-Y1509 HydrophobicContact CB-CE2 4.2Å; A1386-Y1509 HydrophobicContact CB-CG 4.48Å
1387W74.3Confident68.6Low148 Ų14855 Ų5556%0.56127%0.272SS*.Hα-helixtrans-65.6-36.4178.6-168.851.1000113.2L1383 N1384 I1385 Y1389 E1390 N1391L1383-W1387 PolarHBondContact O-N 3.32Å; N1384-W1387 PolarHBondContact O-N 3.46Å; I1385-W1387 VanDerWaalsContact C-N 3.3Å; I1385-W1387 PolarHBondContact O-N 3.02Å; W1387-Y1389 VanDerWaalsContact C-N 3.34Å; W1387-Y1389 PolarHBondContact O-N 3.46Å; W1387-E1390 PolarHBondContact O-N 2.99Å; W1387-N1391 VanDerWaalsContact CE2-ND2 3.27Å; W1387-N1391 WeakPolarHBondContact O-CB 3.29Å; W1387-N1391 PolarHBondContact O-N 2.91Å; W1387-N1391 PolarHBondContact O-ND2 2.93Å
1388N76.1Confident68.7Low57 Ų5748.3 Ų48.331%0.30524%0.238SC..Hα-helixtrans-63.1-38.6173.5-73.5-8.8000112.4N1384 I1385 A1386 A1392 M1598N1384-N1388 PolarHBondContact O-N 2.99Å; I1385-N1388 PolarHBondContact O-N 3.3Å; A1386-N1388 PolarHBondContact O-N 2.98Å; N1388-A1392 WeakPolarHBondContact O-CB 3.44Å; N1388-A1392 PolarHBondContact O-N 3.38Å; N1388-M1598 HydrophobicContact CB-CE 4.14Å; N1388-M1598 HydrophobicContact CB-SD 4.02Å
1389Y78.5Confident69Low3 Ų345.6 Ų45.61%0.01222%0.221CC..Hα-helixtrans-66.5-42.6172.4-81.3-80.1000111.7L531 I533 I1385 A1386 W1387 N1391 A1392 L1393 Y1509 F1572 L1594 Q1595 M1598L531-Y1389 PolarHBondContact O-OH 3.33Å; I533-Y1389 HydrophobicContact CD1-CD2 4.11Å; I533-Y1389 HydrophobicContact CD1-CE2 3.36Å; I1385-Y1389 HydrophobicContact CG2-CD2 3.95Å; I1385-Y1389 HydrophobicContact CG2-CE2 3.8Å; I1385-Y1389 VanDerWaalsContact O-CD2 3.28Å; I1385-Y1389 WeakPolarHBondContact O-CD2 3.25Å; I1385-Y1389 PolarHBondContact O-N 3.23Å; I1385-Y1389 VanDerWaalsContact O-N 3.15Å; A1386-Y1389 PolarHBondContact O-N 2.7Å; W1387-Y1389 VanDerWaalsContact C-N 3.34Å; W1387-Y1389 PolarHBondContact O-N 3.46Å; Y1389-N1391 VanDerWaalsContact C-N 3.34Å; Y1389-N1391 PolarHBondContact O-N 2.99Å; Y1389-A1392 PolarHBondContact O-N 3.27Å; Y1389-L1393 WeakPolarHBondContact O-CD1 3.31Å; Y1389-L1393 VanDerWaalsContact O-CG 3.25Å; Y1389-L1393 WeakPolarHBondContact O-CG 3.41Å; Y1389-L1393 PolarHBondContact O-N 3.39Å; Y1389-Y1509 HydrophobicContact CD2-CE2 4.47Å; Y1389-F1572 AromaticContact CD1-CE2 3.61Å; Y1389-F1572 HydrophobicContact CD1-CE2 3.61Å; Y1389-F1572 AromaticContact CD1-CZ 3.47Å; Y1389-F1572 HydrophobicContact CD1-CZ 3.47Å; Y1389-F1572 VanDerWaalsContact CD1-CZ 3.47Å; Y1389-F1572 HydrophobicContact CD2-CE2 4Å; Y1389-F1572 HydrophobicContact CD2-CZ 4.07Å; Y1389-F1572 AromaticContact CE1-CE2 3.52Å; Y1389-F1572 HydrophobicContact CE1-CE2 3.52Å; Y1389-F1572 AromaticContact CE1-CZ 3.91Å; Y1389-F1572 HydrophobicContact CE1-CZ 3.91Å; Y1389-F1572 AromaticContact CE2-CE2 3.97Å; Y1389-F1572 HydrophobicContact CE2-CE2 3.97Å; Y1389-F1572 HydrophobicContact CE2-CZ 4.49Å; Y1389-F1572 AromaticContact CG-CE2 3.86Å; Y1389-F1572 HydrophobicContact CG-CE2 3.86Å; Y1389-F1572 AromaticContact CG-CZ 3.57Å; Y1389-F1572 HydrophobicContact CG-CZ 3.57Å; Y1389-F1572 AromaticContact CZ-CE2 3.72Å; Y1389-L1594 HydrophobicContact CD1-CD2 3.59Å; Y1389-L1594 HydrophobicContact CE1-CD2 3.94Å; Y1389-Q1595 HydrophobicContact CE1-CG 3.82Å; Y1389-Q1595 WeakPolarHBondContact OH-CG 3.46Å; Y1389-Q1595 PolarHBondContact OH-NE2 3.47Å; Y1389-M1598 HydrophobicContact CD1-CE 3.45Å; Y1389-M1598 VanDerWaalsContact CD1-CE 3.45Å; Y1389-M1598 HydrophobicContact CD2-CE 3.47Å; Y1389-M1598 VanDerWaalsContact CD2-CE 3.47Å; Y1389-M1598 HydrophobicContact CE1-CE 3.51Å; Y1389-M1598 HydrophobicContact CE2-CE 3.49Å; Y1389-M1598 VanDerWaalsContact CE2-CE 3.49Å; Y1389-M1598 HydrophobicContact CG-CE 3.43Å; Y1389-M1598 VanDerWaalsContact CG-CE 3.43Å
1390E76Confident69Low18 Ų1842.4 Ų42.48%0.08421%0.207CC..Hα-helixtrans-62.7-38.8176.4-162.3172.9145.400112.2Y1358 N1360 A1386 W1387 L1393 K1394Y1358-E1390 HydrophobicContact CE1-CB 4.41Å; Y1358-E1390 HydrophobicContact CE1-CG 4.03Å; N1360-E1390 PolarHBondContact ND2-OE2 3Å; A1386-E1390 PolarHBondContact O-N 2.83Å; W1387-E1390 PolarHBondContact O-N 2.99Å; E1390-L1393 WeakPolarHBondContact O-CB 3.29Å; E1390-L1393 PolarHBondContact O-N 2.96Å; E1390-K1394 WeakPolarHBondContact O-CG 3.32Å; E1390-K1394 PolarHBondContact O-N 2.85Å
1391N74.4Confident68.7Low59 Ų5936.6 Ų36.632%0.31618%0.182SC..Hα-helixtrans-70.5-38.5174.9-72.8-27.3000112.7W1387 Y1389 L1393 K1394W1387-N1391 VanDerWaalsContact CE2-ND2 3.27Å; W1387-N1391 WeakPolarHBondContact O-CB 3.29Å; W1387-N1391 PolarHBondContact O-N 2.91Å; W1387-N1391 PolarHBondContact O-ND2 2.93Å; Y1389-N1391 VanDerWaalsContact C-N 3.34Å; Y1389-N1391 PolarHBondContact O-N 2.99Å; N1391-L1393 VanDerWaalsContact C-N 3.31Å; N1391-L1393 PolarHBondContact O-N 3.25Å; N1391-K1394 PolarHBondContact O-N 2.65Å; N1391-K1394 VanDerWaalsContact O-N 3.1Å
1392A73.8Confident68.3Low8 Ų834.6 Ų34.67%0.06617%0.168CC..Hα-helixtrans-62.4-38.3173.300000112.1N1388 Y1389 K1394 Q1395 L1594 M1598N1388-A1392 WeakPolarHBondContact O-CB 3.44Å; N1388-A1392 PolarHBondContact O-N 3.38Å; Y1389-A1392 PolarHBondContact O-N 3.27Å; A1392-K1394 PolarHBondContact O-N 3.31Å; A1392-Q1395 WeakPolarHBondContact O-CB 3.38Å; A1392-Q1395 PolarHBondContact O-N 3.24Å; A1392-Q1395 VanDerWaalsContact O-N 3.15Å; A1392-L1594 HydrophobicContact CB-CD2 4.26Å; A1392-M1598 HydrophobicContact CB-CB 4.06Å; A1392-M1598 HydrophobicContact CB-CG 4.01Å
1393L72.8Confident67.7Low5 Ų534.8 Ų34.83%0.02617%0.172CC..Hα-helixtrans-62.6-27.9173-72.7163.1000113.2Y1358 Y1389 E1390 N1391 Q1395 W1399 F1480 L1594Y1358-L1393 HydrophobicContact CD1-CD1 3.69Å; Y1358-L1393 HydrophobicContact CD2-CD1 3.44Å; Y1358-L1393 VanDerWaalsContact CD2-CD1 3.44Å; Y1358-L1393 HydrophobicContact CE1-CD1 3.7Å; Y1358-L1393 HydrophobicContact CE2-CD1 3.48Å; Y1358-L1393 VanDerWaalsContact CE2-CD1 3.48Å; Y1358-L1393 HydrophobicContact CG-CD1 3.54Å; Y1389-L1393 WeakPolarHBondContact O-CD1 3.31Å; Y1389-L1393 VanDerWaalsContact O-CG 3.25Å; Y1389-L1393 WeakPolarHBondContact O-CG 3.41Å; Y1389-L1393 PolarHBondContact O-N 3.39Å; E1390-L1393 WeakPolarHBondContact O-CB 3.29Å; E1390-L1393 PolarHBondContact O-N 2.96Å; N1391-L1393 VanDerWaalsContact C-N 3.31Å; N1391-L1393 PolarHBondContact O-N 3.25Å; L1393-Q1395 VanDerWaalsContact C-N 3.32Å; L1393-W1399 HydrophobicContact CD2-CE3 3.35Å; L1393-W1399 HydrophobicContact CD2-CZ3 3.62Å; L1393-F1480 HydrophobicContact CB-CZ 4.38Å; L1393-F1480 HydrophobicContact CD2-CE2 4.41Å; L1393-F1480 HydrophobicContact CD2-CZ 4.16Å; L1393-L1594 HydrophobicContact CD2-CD1 3.46Å; L1393-L1594 VanDerWaalsContact CD2-CD1 3.46Å; L1393-L1594 HydrophobicContact CG-CD1 3.97Å
1394K65.8Low67.3Low82 Ų8233.3 Ų33.336%0.35717%0.166SC..Hα-helixtrans-76.6-15.3176.1-66.7-176.6-166.5-154.90113.1E1390 N1391 A1392 E1434 K1472E1390-K1394 WeakPolarHBondContact O-CG 3.32Å; E1390-K1394 PolarHBondContact O-N 2.85Å; N1391-K1394 PolarHBondContact O-N 2.65Å; N1391-K1394 VanDerWaalsContact O-N 3.1Å; A1392-K1394 PolarHBondContact O-N 3.31Å; K1394-E1434 WeakPolarHBondContact CE-OE1 3.44Å; K1394-E1434 IonicContact NZ-OE1 2.79Å; K1394-E1434 PolarHBondContact NZ-OE1 3.17Å; K1394-E1434 IonicContact NZ-OE2 3.17Å; K1394-E1434 PolarHBondContact NZ-OE2 3.27Å; K1394-K1472 PolarHBondContact O-NZ 3.13Å
1395Q68.9Low66.8Low75 Ų7530.7 Ų30.735%0.3515%0.152SC..SBendtrans-77.2153.1176.3-69-162300113.8A1392 L1393 Y1397 G1398 N1601A1392-Q1395 WeakPolarHBondContact O-CB 3.38Å; A1392-Q1395 PolarHBondContact O-N 3.24Å; A1392-Q1395 VanDerWaalsContact O-N 3.15Å; L1393-Q1395 VanDerWaalsContact C-N 3.32Å; Q1395-Y1397 PolarHBondContact O-N 3.49Å; Q1395-G1398 PolarHBondContact O-N 3.43Å; Q1395-N1601 PolarHBondContact NE2-ND2 2.95Å; Q1395-N1601 PolarHBondContact OE1-ND2 3.44Å
1396P57.6Low66.1Low35 Ų3531.7 Ų31.723%0.22716%0.16CC..THydrogen-bonded Turntrans-60.2-37.8-176.320.4-32.6000114.9L1425 I1428 P1475P1396-L1425 HydrophobicContact CB-CD2 3.72Å; P1396-L1425 HydrophobicContact CG-CD2 3.79Å; P1396-I1428 HydrophobicContact CB-CD1 3.86Å; P1396-P1475 HydrophobicContact CB-CG 4.4Å; P1396-P1475 WeakPolarHBondContact O-CD 3.24Å; P1396-P1475 WeakPolarHBondContact O-CG 3.34Å
1397Y60.9Low65.2Low45 Ų4538.1 Ų38.118%0.17619%0.187CC..THydrogen-bonded Turntrans-86.8-13.3-178.7-53.3-85.1000113.2Q1395 W1399 T1400 G1401 C1404 L1425 Q1609Q1395-Y1397 PolarHBondContact O-N 3.49Å; Y1397-W1399 PolarHBondContact O-N 3.24Å; Y1397-T1400 PolarHBondContact O-N 3.03Å; Y1397-G1401 WeakPolarHBondContact O-CA 3.3Å; Y1397-G1401 PolarHBondContact O-N 3.4Å; Y1397-C1404 HydrophobicContact CD1-CB 4.42Å; Y1397-C1404 HydrophobicContact CE1-CB 4.25Å; Y1397-L1425 HydrophobicContact CE2-CD2 4.02Å; Y1397-Q1609 PolarHBondContact OH-O 3.42Å; Y1397-Q1609 VanDerWaalsContact OH-O 3.13Å
1398G61.5Low64.6Low5 Ų536.9 Ų36.95%0.05218%0.183CC..THydrogen-bonded Turntrans-63.2-40.3-163.300000115.6Q1395 L1594Q1395-G1398 PolarHBondContact O-N 3.43Å; G1398-L1594 WeakPolarHBondContact O-CB 3.18Å; G1398-L1594 WeakPolarHBondContact O-CD1 3.49Å; G1398-L1594 WeakPolarHBondContact O-CG 3.39Å
1399W63.8Low63.8Low5 Ų534.2 Ų34.22%0.01917%0.169CC..THydrogen-bonded Turntrans-78.4-35-178.4-171.3-98.1000113.7T1356 F1357 L1393 Y1397 L1474 F1480 L1507 Y1587 T1590T1356-W1399 HydrophobicContact CG2-CZ2 4.26Å; T1356-W1399 PolarHBondContact OG1-NE1 3.27Å; F1357-W1399 VanDerWaalsContact O-CH2 3.27Å; F1357-W1399 WeakPolarHBondContact O-CH2 3.07Å; L1393-W1399 HydrophobicContact CD2-CE3 3.35Å; L1393-W1399 HydrophobicContact CD2-CZ3 3.62Å; Y1397-W1399 PolarHBondContact O-N 3.24Å; W1399-L1474 HydrophobicContact CB-CD1 3.75Å; W1399-L1474 HydrophobicContact CB-CD2 4.02Å; W1399-L1474 HydrophobicContact CG-CD1 3.64Å; W1399-F1480 AromaticContact CD2-CD2 3.99Å; W1399-F1480 HydrophobicContact CD2-CD2 3.99Å; W1399-F1480 HydrophobicContact CD2-CE2 4.05Å; W1399-F1480 AromaticContact CE3-CD2 3.85Å; W1399-F1480 HydrophobicContact CE3-CD2 3.85Å; W1399-F1480 AromaticContact CE3-CE2 3.43Å; W1399-F1480 HydrophobicContact CE3-CE2 3.43Å; W1399-F1480 VanDerWaalsContact CE3-CE2 3.43Å; W1399-F1480 HydrophobicContact CE3-CZ 4.28Å; W1399-F1480 HydrophobicContact CH2-CE2 4.11Å; W1399-F1480 HydrophobicContact CZ3-CD2 4.15Å; W1399-F1480 AromaticContact CZ3-CE2 3.46Å; W1399-F1480 HydrophobicContact CZ3-CE2 3.46Å; W1399-F1480 VanDerWaalsContact CZ3-CE2 3.46Å; W1399-F1480 HydrophobicContact CZ3-CZ 4.37Å; W1399-L1507 HydrophobicContact CH2-CB 4.1Å; W1399-L1507 HydrophobicContact CH2-CD1 3.86Å; W1399-L1507 HydrophobicContact CH2-CG 3.68Å; W1399-L1507 HydrophobicContact CZ3-CB 4.33Å; W1399-L1507 HydrophobicContact CZ3-CD1 3.75Å; W1399-L1507 HydrophobicContact CZ3-CG 4.04Å; W1399-Y1587 HydrophobicContact CZ2-CD1 4.22Å; W1399-Y1587 HydrophobicContact CZ2-CE1 4.06Å; W1399-T1590 WeakPolarHBondContact O-CB 3.41Å; W1399-T1590 WeakPolarHBondContact O-CG2 3.34Å
1400T61.1Low62.8Low3 Ų335.9 Ų35.92%0.01818%0.178CC..THydrogen-bonded Turntrans-112.7-30.1-166.154.80000114.2Y1397 I1402 G1403 L1474 T1476Y1397-T1400 PolarHBondContact O-N 3.03Å; T1400-I1402 VanDerWaalsContact C-N 3.29Å; T1400-I1402 PolarHBondContact O-N 3.24Å; T1400-G1403 PolarHBondContact O-N 3.35Å; T1400-L1474 HydrophobicContact CG2-CD1 4.26Å; T1400-T1476 HydrophobicContact CG2-CG2 3.79Å
1401G56.3Low61.9Low2 Ų242 Ų422%0.02121%0.207CC..SBendtrans53-79.5178.200000114.8Y1397 G1403 H1597Y1397-G1401 WeakPolarHBondContact O-CA 3.3Å; Y1397-G1401 PolarHBondContact O-N 3.4Å; G1401-G1403 PolarHBondContact O-N 2.96Å; G1401-H1597 WeakPolarHBondContact CA-NE2 3.25Å
1402I58Low60.9Low4 Ų445.2 Ų45.22%0.02122%0.224CC..G310 helixtrans-54.2-16173.5-53.5156.1000113.1T1341 W1343 T1400 C1404 L1405 N1589 I1615 I1616T1341-I1402 HydrophobicContact CG2-CD1 4.1Å; T1341-I1402 HydrophobicContact CG2-CG2 4.02Å; W1343-I1402 HydrophobicContact CH2-CB 3.74Å; W1343-I1402 HydrophobicContact CH2-CG2 3.73Å; W1343-I1402 HydrophobicContact CZ2-CG2 4.23Å; T1400-I1402 VanDerWaalsContact C-N 3.29Å; T1400-I1402 PolarHBondContact O-N 3.24Å; I1402-C1404 PolarHBondContact O-N 2.72Å; I1402-C1404 VanDerWaalsContact O-N 3.14Å; I1402-L1405 HydrophobicContact CG2-CD1 3.72Å; I1402-L1405 HydrophobicContact CG2-CG 4.35Å; I1402-L1405 VanDerWaalsContact O-CG 3.3Å; I1402-L1405 WeakPolarHBondContact O-CG 3.38Å; I1402-N1589 VanDerWaalsContact CD1-ND2 3.31Å; I1402-N1589 WeakPolarHBondContact CD1-ND2 3.37Å; I1402-I1615 WeakPolarHBondContact CD1-O 3.39Å; I1402-I1616 HydrophobicContact CG1-CG1 4.37Å; I1402-I1616 HydrophobicContact CG2-CD1 4.49Å; I1402-I1616 HydrophobicContact CG2-CG1 4.05Å
1403G55.1Low60Low12 Ų1245.7 Ų45.712%0.12423%0.225CC..G310 helixtrans-61.7-19.9-17800000115.7T1400 G1401T1400-G1403 PolarHBondContact O-N 3.35Å; G1401-G1403 PolarHBondContact O-N 2.96Å
1404C60.9Low59Low31 Ų3149.4 Ų49.421%0.20925%0.245CC..G310 helixtrans-112.746.1-175.9-59.40000113.5Y1397 I1402 C1423Y1397-C1404 HydrophobicContact CD1-CB 4.42Å; Y1397-C1404 HydrophobicContact CE1-CB 4.25Å; I1402-C1404 PolarHBondContact O-N 2.72Å; I1402-C1404 VanDerWaalsContact O-N 3.14Å; C1404-C1423 WeakPolarHBondContact CA-SG 3.13Å; C1404-C1423 HydrophobicContact CB-CB 3.81Å; C1404-C1423 WeakPolarHBondContact CB-SG 3.08Å; C1404-C1423 WeakPolarHBondContact SG-CB 3.43Å; C1404-C1423 CovalentContact SG-SG 2.04Å; C1404-C1423 PolarHBondContact SG-SG 2.85Å
1405L60Low58Low30 Ų3049.5 Ų49.516%0.15726%0.261CS..  trans-74.2141.3-178.6-81.3169.4000114.2I1402 L1410 I1616I1402-L1405 HydrophobicContact CG2-CD1 3.72Å; I1402-L1405 HydrophobicContact CG2-CG 4.35Å; I1402-L1405 VanDerWaalsContact O-CG 3.3Å; I1402-L1405 WeakPolarHBondContact O-CG 3.38Å; L1405-L1410 HydrophobicContact CB-CD1 4.41Å; L1405-L1410 HydrophobicContact CB-CG 4.34Å; L1405-I1616 HydrophobicContact CD1-CD1 3.74Å; L1405-I1616 HydrophobicContact CD2-CD1 3.88Å; L1405-I1616 HydrophobicContact CG-CD1 4.44Å
1406P57.5Low57.2Low38 Ų3853.4 Ų53.425%0.24727%0.274CS..  trans-71.4144.5175.330.7-35000111.6Y1408 T1409P1406-Y1408 HydrophobicContact CB-CD1 3.89Å; P1406-Y1408 HydrophobicContact CB-CE1 3.57Å; P1406-Y1408 HydrophobicContact CG-CD1 3.99Å; P1406-Y1408 HydrophobicContact CG-CE1 3.32Å; P1406-Y1408 PolarHBondContact O-N 3.03Å; P1406-T1409 HydrophobicContact CG-CG2 4.3Å; P1406-T1409 PolarHBondContact O-N 3.1Å; P1406-T1409 PolarHBondContact O-OG1 2.87Å
1407K56.9Low57Low135 Ų13553.8 Ų53.859%0.58727%0.271SS*.Hα-helixtrans-51-31.4-167.6-71.6177.4178.7171.30115.8T1409 L1410 Q1411K1407-T1409 PolarHBondContact O-N 3.08Å; K1407-L1410 PolarHBondContact O-N 3.22Å; K1407-Q1411 WeakPolarHBondContact O-CG 3.49Å; K1407-Q1411 PolarHBondContact O-N 3.35Å
1408Y60Low56.4Low122 Ų12259.4 Ų59.448%0.47830%0.297SS..Hα-helixtrans-66.4-32.1-178.869.4-94.3000113.5P1406P1406-Y1408 HydrophobicContact CB-CD1 3.89Å; P1406-Y1408 HydrophobicContact CB-CE1 3.57Å; P1406-Y1408 HydrophobicContact CG-CD1 3.99Å; P1406-Y1408 HydrophobicContact CG-CE1 3.32Å; P1406-Y1408 PolarHBondContact O-N 3.03Å
1409T59.2Low55.9Low2 Ų264.1 Ų64.11%0.01232%0.324CS..Hα-helixtrans-72.5-33176.761.50000111.4P1406 K1407 I1413P1406-T1409 HydrophobicContact CG-CG2 4.3Å; P1406-T1409 PolarHBondContact O-N 3.1Å; P1406-T1409 PolarHBondContact O-OG1 2.87Å; K1407-T1409 PolarHBondContact O-N 3.08Å; T1409-I1413 WeakPolarHBondContact O-CD1 3.47Å; T1409-I1413 WeakPolarHBondContact O-CG1 3.21Å
1410L58.6Low55.4Low38 Ų3867.1 Ų67.120%0.19934%0.336CS..Hα-helixtrans-77-34.6177.1-67.8168.5000112.8L1405 K1407 N1412 I1413L1405-L1410 HydrophobicContact CB-CD1 4.41Å; L1405-L1410 HydrophobicContact CB-CG 4.34Å; K1407-L1410 PolarHBondContact O-N 3.22Å; L1410-N1412 PolarHBondContact O-N 2.62Å; L1410-I1413 PolarHBondContact O-N 3.46Å
1411Q56.5Low54.8Low147 Ų14769.2 Ų69.269%0.68735%0.351SS*.Hα-helixtrans-59.3-32.9178.5-82.3173.1-48.900113K1407 I1413K1407-Q1411 WeakPolarHBondContact O-CG 3.49Å; K1407-Q1411 PolarHBondContact O-N 3.35Å; Q1411-I1413 PolarHBondContact O-N 2.95Å
1412N53.2Low54.6Low126 Ų12677.2 Ų77.267%0.67439%0.388SS*.THydrogen-bonded Turntrans-75.4-0.5177.2-71.3-2.9000114L1410L1410-N1412 PolarHBondContact O-N 2.62Å
1413I56Low54.5Low17 Ų1778.9 Ų78.99%0.08740%0.399CS..THydrogen-bonded Turntrans-127.745.8-172.3-38.1173.7000111.4I1339 T1409 L1410 Q1411 I1618I1339-I1413 HydrophobicContact CD1-CB 4.4Å; I1339-I1413 HydrophobicContact CD1-CD1 3.73Å; I1339-I1413 HydrophobicContact CD1-CG2 3.94Å; I1339-I1413 HydrophobicContact CG1-CD1 4.33Å; I1339-I1413 HydrophobicContact CG1-CG2 3.92Å; T1409-I1413 WeakPolarHBondContact O-CD1 3.47Å; T1409-I1413 WeakPolarHBondContact O-CG1 3.21Å; L1410-I1413 PolarHBondContact O-N 3.46Å; Q1411-I1413 PolarHBondContact O-N 2.95Å; I1413-I1618 HydrophobicContact CD1-CD1 4.26Å
1414N51.5Low54.5Low83 Ų8383.7 Ų83.744%0.44442%0.422SS..  trans66.7148.1180-70.1-29.9000116.6Y454 Y1416Y454-N1414 PolarHBondContact OH-ND2 3.21Å; N1414-Y1416 PolarHBondContact O-N 3.37Å
1415A45.2Very low54.3Low84 Ų8485.2 Ų85.269%0.69443%0.428SS*.G310 helixtrans-72.51.9-168.300000116.5
1416Y50.7Low54.1Low158 Ų15888 Ų8862%0.6245%0.45SS*.G310 helixtrans-74.1-27.1-172.1-147.5-109.5000112.9E1348 N1414 K1418E1348-Y1416 VanDerWaalsContact OE1-CE1 3.25Å; E1348-Y1416 WeakPolarHBondContact OE1-CE1 3.34Å; E1348-Y1416 PolarHBondContact OE1-OH 3.21Å; N1414-Y1416 PolarHBondContact O-N 3.37Å; Y1416-K1418 PolarHBondContact O-N 3.24Å
1417Y53.8Low53.8Low43 Ų4392 Ų9217%0.16947%0.469CS..G310 helixtrans-94.126.4-166-59-69000116.1Y454 L1344 T1419Y454-Y1417 WeakPolarHBondContact CD1-OH 3.39Å; Y454-Y1417 HydrophobicContact CE1-CE2 4.28Å; Y454-Y1417 VanDerWaalsContact CE1-OH 3.31Å; Y454-Y1417 WeakPolarHBondContact CE1-OH 3.35Å; Y454-Y1417 VanDerWaalsContact CG-OH 3.31Å; L1344-Y1417 HydrophobicContact CD1-CE1 3.75Å; Y1417-T1419 PolarHBondContact O-N 3.16Å
1418K48.3Very low53.9Low163 Ų16388.3 Ų88.371%0.70946%0.455SS*.G310 helixtrans-61.1-25.9-175.9-73.6-177.3177.5179.90114.9Y1416 Y1420 S1421Y1416-K1418 PolarHBondContact O-N 3.24Å; K1418-Y1420 PolarHBondContact O-N 3.45Å; K1418-S1421 WeakPolarHBondContact O-CB 3.36Å; K1418-S1421 PolarHBondContact O-OG 2.98Å
1419T50.7Low53.8Low104 Ų10489.9 Ų89.964%0.63847%0.465SS*.G310 helixtrans-72.1-23.4-169.540.40000115.4Y1417 S1421Y1417-T1419 PolarHBondContact O-N 3.16Å; T1419-S1421 VanDerWaalsContact C-N 3.32Å; T1419-S1421 PolarHBondContact O-N 3.34Å
1420Y53.4Low53.8Low68 Ų6895.7 Ų95.727%0.26749%0.494SS..G310 helixtrans-9216.4-177.2-67.1-79000113.7S1346 N1350 K1418 Q1422S1346-Y1420 PolarHBondContact OG-OH 2.96Å; N1350-Y1420 PolarHBondContact OD1-OH 2.86Å; K1418-Y1420 PolarHBondContact O-N 3.45Å; Y1420-Q1422 VanDerWaalsContact C-N 3.31Å; Y1420-Q1422 PolarHBondContact O-N 2.92Å
1421S49.8Very low53.9Low46 Ų4697.9 Ų97.932%0.32251%0.505SS..  trans-86.720.7-168.960.70000116K1418 T1419K1418-S1421 WeakPolarHBondContact O-CB 3.36Å; K1418-S1421 PolarHBondContact O-OG 2.98Å; T1419-S1421 VanDerWaalsContact C-N 3.32Å; T1419-S1421 PolarHBondContact O-N 3.34Å
1422Q51.7Low54.1Low171 Ų17194.8 Ų94.880%0.79949%0.489SS*.  trans-143.987.4-179-71.2-176.5-30.700112.3Y1420 N1424Y1420-Q1422 VanDerWaalsContact C-N 3.31Å; Y1420-Q1422 PolarHBondContact O-N 2.92Å; Q1422-N1424 VanDerWaalsContact C-N 3.32Å; Q1422-N1424 PolarHBondContact O-N 2.67Å
1423C54.8Low54.5Low38 Ų3897.9 Ų97.926%0.25750%0.497SS..  trans-74.882.1166-84.20000110.9C1404 L1425C1404-C1423 WeakPolarHBondContact CA-SG 3.13Å; C1404-C1423 HydrophobicContact CB-CB 3.81Å; C1404-C1423 WeakPolarHBondContact CB-SG 3.08Å; C1404-C1423 WeakPolarHBondContact SG-CB 3.43Å; C1404-C1423 CovalentContact SG-SG 2.04Å; C1404-C1423 PolarHBondContact SG-SG 2.85Å; C1423-L1425 PolarHBondContact O-N 3.02Å
1424N55.3Low54.8Low113 Ų113102.9 Ų102.960%0.60452%0.52SS*.  trans-86.295.4178.4-159.42000110.6Q1422 S1426Q1422-N1424 VanDerWaalsContact C-N 3.32Å; Q1422-N1424 PolarHBondContact O-N 2.67Å; N1424-S1426 PolarHBondContact O-N 2.92Å; N1424-S1426 VanDerWaalsContact O-N 3.13Å; N1424-S1426 PolarHBondContact OD1-OG 3.03Å
1425L56.7Low55.5Low63 Ų63101.4 Ų101.433%0.3351%0.512SS..G310 helixtrans-64.7-15.7-168.9-72.4114.2000115.4P1396 Y1397 C1423 N1427P1396-L1425 HydrophobicContact CB-CD2 3.72Å; P1396-L1425 HydrophobicContact CG-CD2 3.79Å; Y1397-L1425 HydrophobicContact CE2-CD2 4.02Å; C1423-L1425 PolarHBondContact O-N 3.02Å; L1425-N1427 VanDerWaalsContact C-N 3.26Å; L1425-N1427 PolarHBondContact O-N 2.97Å
1426S55.4Low56.6Low90 Ų90101 Ų10163%0.62950%0.501SS*.G310 helixtrans-67.7-18-175.456.60000115.3N1424N1424-S1426 PolarHBondContact O-N 2.92Å; N1424-S1426 VanDerWaalsContact O-N 3.13Å; N1424-S1426 PolarHBondContact OD1-OG 3.03Å
1427N53.2Low57.3Low122 Ų12297 Ų9765%0.65249%0.487SS*.G310 helixtrans-105.928.4-165.6-76.8-19.9000115.2L1425 K1429L1425-N1427 VanDerWaalsContact C-N 3.26Å; L1425-N1427 PolarHBondContact O-N 2.97Å; N1427-K1429 PolarHBondContact O-N 3.12Å
1428I57.5Low57.8Low57 Ų57102.7 Ų102.729%0.29252%0.516SS..  trans-73.585.8177.9-58.9174.5000110.3P1396 I1430 K1472P1396-I1428 HydrophobicContact CB-CD1 3.86Å; I1428-I1430 PolarHBondContact O-N 3.32Å; I1428-K1472 HydrophobicContact CG2-CD 4.38Å; I1428-K1472 HydrophobicContact CG2-CG 4.15Å
1429K58.2Low58.8Low155 Ų15599.5 Ų99.567%0.67450%0.503SS*.  trans-74.9117.5171.9-77.1-172.8173.6-176.90110.9N1427 I1473N1427-K1429 PolarHBondContact O-N 3.12Å; K1429-I1473 HydrophobicContact CB-CD1 4.3Å; K1429-I1473 PolarHBondContact O-N 3.46Å; K1429-I1473 VanDerWaalsContact O-N 3.11Å
1430I59.8Low59.6Low124 Ų12496.1 Ų96.164%0.63648%0.481SS*.EExtended strand (participates in β ladder)trans-75125.9160.4-60.3171.8000106.9I1428 K1432I1428-I1430 PolarHBondContact O-N 3.32Å; I1430-K1432 VanDerWaalsContact CG2-O 3.32Å; I1430-K1432 WeakPolarHBondContact CG2-O 3.31Å
1431I60.9Low60.2Low84 Ų8498.1 Ų98.143%0.43149%0.491SS..EExtended strand (participates in β ladder)trans-87.8-40.5-176.8-55.1175.3000110.4S1471 I1473 I1479I1431-S1471 PolarHBondContact N-O 2.86Å; I1431-I1473 HydrophobicContact CD1-CD1 4.25Å; I1431-I1473 HydrophobicContact CD1-CG1 3.82Å; I1431-I1473 HydrophobicContact CG1-CD1 4.41Å; I1431-I1473 HydrophobicContact CG1-CG1 4.08Å; I1431-I1479 HydrophobicContact CD1-CG2 4.16Å
1432K60.9Low61.2Low81 Ų81102.8 Ų102.835%0.35250%0.502SS..EExtended strand (participates in β ladder)trans-141.6146.3176.9-75.2-176169.4177.70111I1430I1430-K1432 VanDerWaalsContact CG2-O 3.32Å; I1430-K1432 WeakPolarHBondContact CG2-O 3.31Å
1433K60.5Low62Low192 Ų19295 Ų9584%0.83547%0.466SS*.PPolyproline II helixtrans-63.8158.8175.8-73.8-176.9174.4-178.60111.7S1470K1433-S1470 VanDerWaalsContact O-CB 3.29Å; K1433-S1470 WeakPolarHBondContact O-CB 3.43Å
1434E62.7Low62.4Low122 Ų12295.2 Ų95.257%0.5746%0.462SS*.PPolyproline II helixtrans-69.1149.2173.5-59.3-173.7160.500110.9K1394K1394-E1434 WeakPolarHBondContact CE-OE1 3.44Å; K1394-E1434 IonicContact NZ-OE1 2.79Å; K1394-E1434 PolarHBondContact NZ-OE1 3.17Å; K1394-E1434 IonicContact NZ-OE2 3.17Å; K1394-E1434 PolarHBondContact NZ-OE2 3.27Å
1435L66.3Low62.8Low51 Ų5193.3 Ų93.327%0.26746%0.457SS..PPolyproline II helixtrans-86.9147.7-178.5-70.6162.9000111.1Q1439 M1440 I1443 S1485L1435-Q1439 HydrophobicContact CB-CB 4.47Å; L1435-Q1439 HydrophobicContact CD2-CB 4.33Å; L1435-M1440 HydrophobicContact CB-CG 3.77Å; L1435-M1440 HydrophobicContact CB-SD 4.45Å; L1435-I1443 HydrophobicContact CD1-CD1 4.04Å; L1435-I1443 HydrophobicContact CD2-CD1 4.44Å; L1435-S1485 WeakPolarHBondContact CD1-OG 3.27Å
1436T68.4Low63Low75 Ų7595.6 Ų95.646%0.4646%0.462SS..PPolyproline II helixtrans-75153.3174.8720000111.5Q1438 Q1439 M1440T1436-Q1438 PolarHBondContact O-N 2.97Å; T1436-Q1438 VanDerWaalsContact O-N 3.16Å; T1436-Q1439 WeakPolarHBondContact O-CA 3.35Å; T1436-Q1439 WeakPolarHBondContact O-CB 3.4Å; T1436-Q1439 PolarHBondContact O-N 3.34Å; T1436-Q1439 WeakPolarHBondContact OG1-CG 3.48Å; T1436-Q1439 PolarHBondContact OG1-N 2.95Å; T1436-Q1439 PolarHBondContact OG1-OE1 3.43Å; T1436-M1440 WeakPolarHBondContact O-CG 3.35Å; T1436-M1440 PolarHBondContact O-N 3.02Å
1437H64.5Low63.1Low74 Ų7492.5 Ų92.534%0.34344%0.438SS..Hα-helixtrans-55.2-36.6-177.9-171.2-88.6000113.3Y1363 M1440 K1441Y1363-H1437 AromaticContact CD1-CD2 3.82Å; Y1363-H1437 AromaticContact CD1-NE2 3.73Å; H1437-M1440 PolarHBondContact O-N 2.94Å; H1437-K1441 PolarHBondContact O-N 3.27Å
1438Q64.9Low63.1Low164 Ų16491.2 Ų91.277%0.76644%0.438SS*.Hα-helixtrans-65.4-43.6174.5-70.2175.6-19.500112.3T1436 M1440 K1441 Y1442T1436-Q1438 PolarHBondContact O-N 2.97Å; T1436-Q1438 VanDerWaalsContact O-N 3.16Å; Q1438-M1440 VanDerWaalsContact C-N 3.33Å; Q1438-M1440 PolarHBondContact O-N 3.13Å; Q1438-K1441 PolarHBondContact O-N 3.08Å; Q1438-Y1442 PolarHBondContact O-N 3.03Å
1439Q68.8Low62.3Low95 Ų9593.9 Ų93.944%0.44445%0.453SS..Hα-helixtrans-61.5-42173.7-68.9167.5-21.400111L1435 T1436 K1441 Y1442 I1443L1435-Q1439 HydrophobicContact CB-CB 4.47Å; L1435-Q1439 HydrophobicContact CD2-CB 4.33Å; T1436-Q1439 WeakPolarHBondContact O-CA 3.35Å; T1436-Q1439 WeakPolarHBondContact O-CB 3.4Å; T1436-Q1439 PolarHBondContact O-N 3.34Å; T1436-Q1439 WeakPolarHBondContact OG1-CG 3.48Å; T1436-Q1439 PolarHBondContact OG1-N 2.95Å; T1436-Q1439 PolarHBondContact OG1-OE1 3.43Å; Q1439-K1441 PolarHBondContact O-N 3.43Å; Q1439-Y1442 PolarHBondContact O-N 3.35Å; Q1439-I1443 WeakPolarHBondContact O-CG1 3.2Å; Q1439-I1443 PolarHBondContact O-N 3.39Å
1440M67.8Low61.5Low33 Ų3392.4 Ų92.416%0.16345%0.449CS..Hα-helixtrans-62.7-40.5177.7-60-160.8-80.800112.5L1435 T1436 H1437 Q1438 R1444 T1484L1435-M1440 HydrophobicContact CB-CG 3.77Å; L1435-M1440 HydrophobicContact CB-SD 4.45Å; T1436-M1440 WeakPolarHBondContact O-CG 3.35Å; T1436-M1440 PolarHBondContact O-N 3.02Å; H1437-M1440 PolarHBondContact O-N 2.94Å; Q1438-M1440 VanDerWaalsContact C-N 3.33Å; Q1438-M1440 PolarHBondContact O-N 3.13Å; M1440-R1444 PolarHBondContact O-N 2.86Å; M1440-T1484 PolarHBondContact SD-OG1 3.3Å
1441K66.2Low61Low110 Ų11092 Ų9248%0.47846%0.456SS..Hα-helixtrans-65.8-43.5176.2-160.3172.1-171.4178.10111.8N1367 H1437 Q1438 Q1439 R1444 S1445N1367-K1441 PolarHBondContact OD1-NZ 3.21Å; H1437-K1441 PolarHBondContact O-N 3.27Å; Q1438-K1441 PolarHBondContact O-N 3.08Å; Q1439-K1441 PolarHBondContact O-N 3.43Å; K1441-R1444 PolarHBondContact O-N 2.86Å; K1441-S1445 PolarHBondContact O-N 3Å; K1441-S1445 VanDerWaalsContact O-N 3.09Å; K1441-S1445 PolarHBondContact O-OG 3.45Å
1442Y70.6Confident59.9Low144 Ų14493.6 Ų93.657%0.56547%0.474SS*.Hα-helixtrans-59.2-50.3175.5-179.2-97.3000112.1Q1438 Q1439 R1444 S1445 Y1446Q1438-Y1442 PolarHBondContact O-N 3.03Å; Q1439-Y1442 PolarHBondContact O-N 3.35Å; Y1442-R1444 VanDerWaalsContact C-N 3.32Å; Y1442-R1444 PolarHBondContact O-N 3.26Å; Y1442-S1445 PolarHBondContact O-N 3.4Å; Y1442-S1445 VanDerWaalsContact O-N 3.08Å; Y1442-S1445 PolarHBondContact O-OG 3.41Å; Y1442-Y1446 PolarHBondContact O-N 3.11Å
1443I67.8Low59.1Low9 Ų994.9 Ų94.95%0.04649%0.492CS..Hα-helixtrans-62.5-37.8-177.2-64.9170.7000111.7L1435 Q1439 Q1447 S1485 F1486L1435-I1443 HydrophobicContact CD1-CD1 4.04Å; L1435-I1443 HydrophobicContact CD2-CD1 4.44Å; Q1439-I1443 WeakPolarHBondContact O-CG1 3.2Å; Q1439-I1443 PolarHBondContact O-N 3.39Å; I1443-Q1447 PolarHBondContact O-NE2 3.45Å; I1443-S1485 VanDerWaalsContact CG2-O 3.22Å; I1443-S1485 WeakPolarHBondContact CG2-O 3.43Å; I1443-F1486 HydrophobicContact CG2-CD1 4.2Å; I1443-F1486 HydrophobicContact CG2-CE1 3.81Å; I1443-F1486 HydrophobicContact CG2-CZ 4.03Å
1444R64.9Low58.2Low41 Ų4193 Ų9316%0.15549%0.491CS..Hα-helixtrans-65.4-43.2172.2-78.6-171.2158.3-163.9-11.6112.3E1359 N1361 E1364 M1440 K1441 Y1442 Y1446 Q1447 T1484 S1485 F1486E1359-R1444 IonicContact OE1-NH2 3.52Å; E1359-R1444 PolarHBondContact OE1-NH2 3.36Å; N1361-R1444 PolarHBondContact OD1-NH1 3.44Å; N1361-R1444 PolarHBondContact OD1-NH2 2.85Å; E1364-R1444 IonicContact OE1-NH1 3.86Å; M1440-R1444 PolarHBondContact O-N 2.86Å; K1441-R1444 PolarHBondContact O-N 2.86Å; Y1442-R1444 VanDerWaalsContact C-N 3.32Å; Y1442-R1444 PolarHBondContact O-N 3.26Å; R1444-Y1446 VanDerWaalsContact C-N 3.32Å; R1444-Y1446 PolarHBondContact O-N 3.02Å; R1444-Q1447 PolarHBondContact O-N 3.31Å; R1444-Q1447 VanDerWaalsContact O-N 3.14Å; R1444-T1484 VanDerWaalsContact CZ-O 3.3Å; R1444-T1484 PolarHBondContact NE-O 3.2Å; R1444-S1485 WeakPolarHBondContact CG-O 3.48Å; R1444-F1486 PolarHBondContact NE-O 3.39Å; R1444-F1486 PolarHBondContact NH2-O 3.16Å
1445S63.9Low57.5Low73 Ų7394 Ų9451%0.5151%0.505SS..Hα-helixtrans-64.3-29.1-17866.30000114.8K1441 Y1442 Q1447 S1448K1441-S1445 PolarHBondContact O-N 3Å; K1441-S1445 VanDerWaalsContact O-N 3.09Å; K1441-S1445 PolarHBondContact O-OG 3.45Å; Y1442-S1445 PolarHBondContact O-N 3.4Å; Y1442-S1445 VanDerWaalsContact O-N 3.08Å; Y1442-S1445 PolarHBondContact O-OG 3.41Å; S1445-Q1447 VanDerWaalsContact C-N 3.28Å; S1445-Q1447 PolarHBondContact O-N 3.35Å; S1445-S1448 PolarHBondContact O-OG 3.38Å
1446Y60.4Low56.9Low111 Ų11194.8 Ų94.844%0.43552%0.515SS..Hα-helixtrans-70.4-23.6176.1-157.2-78.8000112.7Y1442 R1444 S1448 Y1465Y1442-Y1446 PolarHBondContact O-N 3.11Å; R1444-Y1446 VanDerWaalsContact C-N 3.32Å; R1444-Y1446 PolarHBondContact O-N 3.02Å; Y1446-S1448 PolarHBondContact O-N 3.31Å; Y1446-Y1465 WeakPolarHBondContact CD1-OH 3.32Å; Y1446-Y1465 WeakPolarHBondContact CE1-OH 3.46Å
1447Q57.2Low56.3Low26 Ų2692.7 Ų92.712%0.12150%0.503CS..THydrogen-bonded Turntrans-81-11.5-169.5-71.8166.246.900114.9I1443 R1444 S1445 F1486I1443-Q1447 PolarHBondContact O-NE2 3.45Å; R1444-Q1447 PolarHBondContact O-N 3.31Å; R1444-Q1447 VanDerWaalsContact O-N 3.14Å; S1445-Q1447 VanDerWaalsContact C-N 3.28Å; S1445-Q1447 PolarHBondContact O-N 3.35Å; Q1447-F1486 VanDerWaalsContact NE2-CD1 3.34Å
1448S52.3Low55.6Low95 Ų9596.1 Ų96.166%0.66452%0.518SS*.THydrogen-bonded Turntrans-78.4-20.1178.760.10000113.8S1445 Y1446S1445-S1448 PolarHBondContact O-OG 3.38Å; Y1446-S1448 PolarHBondContact O-N 3.31Å
1449N41.9Very low54.8Low113 Ų11392.1 Ų92.160%0.60450%0.5SS*.SBendtrans-106.6160.1-175.4-59.3-1.6000109.4
1450E41.8Very low53.6Low124 Ų12494.4 Ų94.458%0.57952%0.515SS*.  trans64.790.9180-52.2-177.1153.200116R1494E1450-R1494 PolarHBondContact O-NH2 2.99Å
1451C48.1Very low52.5Low116 Ų11696.1 Ų96.178%0.78453%0.531SS*.  172.2121102.5-93.60000112.8
1452S38.5Very low51.3Low117 Ų117100 Ų10082%0.81855%0.548SS*.  trans-102.590.4176.155.80000112.2N1454S1452-N1454 PolarHBondContact O-N 3.12Å
1453C43.4Very low49.8Very low107 Ų10798.6 Ų98.672%0.72356%0.555SS**  trans-9751.2179.8-66.40000113.7T1455C1453-T1455 PolarHBondContact O-N 2.98Å
1454N42.6Very low48.4Very low154 Ų154106 Ų10682%0.82459%0.589SS**  trans-70.291.8170-81.4-11.2000110.4S1452S1452-N1454 PolarHBondContact O-N 3.12Å
1455T47.7Very low47.4Very low141 Ų141111 Ų11187%0.86561%0.609SS**SBendtrans162.9-25.9139.936.70000113.6C1453C1453-T1455 PolarHBondContact O-N 2.98Å
1456S52.4Low46.7Very low68 Ų68115.7 Ų115.748%0.47662%0.623SS.*  trans-141.8135.8-176.6720000114.5F1458S1456-F1458 PolarHBondContact O-N 3.01Å
1457C57.3Low46.7Very low31 Ų31115 Ų11521%0.20962%0.623CS.*  trans-79.358.8174.2-72.70000112.1C544C544-C1457 HydrophobicContact CB-CB 4.36Å; C544-C1457 WeakPolarHBondContact CB-SG 3.4Å; C544-C1457 VanDerWaalsContact SG-CA 3.57Å; C544-C1457 WeakPolarHBondContact SG-CB 3.22Å; C544-C1457 CovalentContact SG-SG 2.04Å; C544-C1457 PolarHBondContact SG-SG 3.34Å
1458F49.7Very low47Very low146 Ų146118.7 Ų118.764%0.6464%0.641SS**  trans-88.3105.5167.4-93.1-76.8000110.2S1456 N1460S1456-F1458 PolarHBondContact O-N 3.01Å; F1458-N1460 PolarHBondContact O-N 3.33Å
1459M47.8Very low47.9Very low81 Ų81114.5 Ų114.540%0.39961%0.611SS.*  trans-70.879.3167.3-91.6-79-147.400109.7S543 S1461S543-M1459 VanDerWaalsContact CB-CE 3.47Å; M1459-S1461 PolarHBondContact O-N 3.48Å
1460N42.8Very low49.6Very low142 Ų142109.7 Ų109.776%0.75959%0.587SS**  trans-7083.2162.7-83.911.3000109F1458F1458-N1460 PolarHBondContact O-N 3.33Å
1461S44.7Very low51.3Low70 Ų70104.5 Ų104.549%0.4956%0.564SS.*  trans-61.5152.1154.752.20000110M1459M1459-S1461 PolarHBondContact O-N 3.48Å
1462F41.3Very low52.6Low191 Ų191100.9 Ų100.984%0.83854%0.535SS*.  trans72.1137.1-171.8-48.8-80.7000112.8
1463T38.8Very low54.3Low115 Ų11598 Ų9871%0.70651%0.509SS*.SBendcis-129.2165.416.9450000113.5
1464Q39.4Very low55.5Low165 Ų16593.2 Ų93.277%0.77148%0.477SS*.  trans45.396.7157.6-69.7168.5-40.500118.9
1465Y43.8Very low56.5Low144 Ų14487.4 Ų87.457%0.56545%0.448SS*.  trans-125.4111.7145.9-104.5-101.6000108Y1446 Q1467Y1446-Y1465 WeakPolarHBondContact CD1-OH 3.32Å; Y1446-Y1465 WeakPolarHBondContact CE1-OH 3.46Å; Y1465-Q1467 VanDerWaalsContact C-N 3.28Å; Y1465-Q1467 PolarHBondContact O-N 3.35Å
1466E50Low57.3Low172 Ų17281.3 Ų81.380%0.80441%0.41SS*.  trans-72.4-24.5-172.5-57.5-172124.400113Q1468E1466-Q1468 PolarHBondContact O-N 2.99Å; E1466-Q1468 VanDerWaalsContact O-N 3.08Å
1467Q59Low58Low96 Ų9684.7 Ų84.745%0.44942%0.416SS..  trans-89.274.6-171.7-66.7171.1-5.500111.2Y1465 F1486Y1465-Q1467 VanDerWaalsContact C-N 3.28Å; Y1465-Q1467 PolarHBondContact O-N 3.35Å; Q1467-F1486 WeakPolarHBondContact O-CZ 3.32Å
1468Q63.2Low58.8Low105 Ų10583.5 Ų83.549%0.49141%0.408SS..PPolyproline II helixtrans-66.4142.6164.3-65.8172.5-23.200110.6E1466E1466-Q1468 PolarHBondContact O-N 2.99Å; E1466-Q1468 VanDerWaalsContact O-N 3.08Å
1469P72.7Confident60.2Low6 Ų678.1 Ų78.14%0.03939%0.385CS..PPolyproline II helixtrans-62152.3177.625-34.6000113.2S1471 L1481 N1482 L1483 F1486P1469-S1471 PolarHBondContact O-N 3.44Å; P1469-S1471 PolarHBondContact O-OG 2.99Å; P1469-L1481 HydrophobicContact CG-CB 4.42Å; P1469-L1481 HydrophobicContact CG-CD2 4.45Å; P1469-N1482 WeakPolarHBondContact CB-O 3.24Å; P1469-L1483 HydrophobicContact CB-CD2 3.76Å; P1469-L1483 HydrophobicContact CG-CD2 3.81Å; P1469-F1486 HydrophobicContact CB-CD2 4.43Å; P1469-F1486 HydrophobicContact CB-CE2 3.84Å
1470S75.9Confident61.8Low13 Ų1375.3 Ų75.39%0.09137%0.371CS..PPolyproline II helixtrans-59.5137.4172.267.50000110.6K1433 N1482K1433-S1470 VanDerWaalsContact O-CB 3.29Å; K1433-S1470 WeakPolarHBondContact O-CB 3.43Å; S1470-N1482 PolarHBondContact O-N 2.69Å
1471S77.7Confident63.8Low14 Ų1469 Ų6910%0.09834%0.337CS..EExtended strand (participates in β ladder)trans-149.6142.6-161.141.10000113.5I1431 P1469 F1480I1431-S1471 PolarHBondContact N-O 2.86Å; P1469-S1471 PolarHBondContact O-N 3.44Å; P1469-S1471 PolarHBondContact O-OG 2.99Å; S1471-F1480 VanDerWaalsContact CA-O 3.29Å; S1471-F1480 WeakPolarHBondContact CA-O 3.47Å
1472K76.2Confident65.7Low41 Ų4166.7 Ų66.718%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-139.9138.1-171-178.3-177.5179.6-174.40110.3K1394 I1428 F1480K1394-K1472 PolarHBondContact O-NZ 3.13Å; I1428-K1472 HydrophobicContact CG2-CD 4.38Å; I1428-K1472 HydrophobicContact CG2-CG 4.15Å; K1472-F1480 PolarHBondContact N-O 2.83Å; K1472-F1480 PolarHBondContact O-N 3.1Å
1473I73.9Confident67.7Low55 Ų5557.6 Ų57.628%0.28228%0.279SS..EExtended strand (participates in β ladder)trans-85.2128.7173.2-54.4-178.2000109.3K1429 I1431K1429-I1473 HydrophobicContact CB-CD1 4.3Å; K1429-I1473 PolarHBondContact O-N 3.46Å; K1429-I1473 VanDerWaalsContact O-N 3.11Å; I1431-I1473 HydrophobicContact CD1-CD1 4.25Å; I1431-I1473 HydrophobicContact CD1-CG1 3.82Å; I1431-I1473 HydrophobicContact CG1-CD1 4.41Å; I1431-I1473 HydrophobicContact CG1-CG1 4.08Å
1474L69.2Low69.7Low7 Ų752.4 Ų52.44%0.03725%0.248CC..  trans-86.1162.7177-65.6172.6000111.6W1399 T1400 T1476 K1477 D1478 F1480W1399-L1474 HydrophobicContact CB-CD1 3.75Å; W1399-L1474 HydrophobicContact CB-CD2 4.02Å; W1399-L1474 HydrophobicContact CG-CD1 3.64Å; T1400-L1474 HydrophobicContact CG2-CD1 4.26Å; L1474-T1476 PolarHBondContact O-N 3.13Å; L1474-T1476 VanDerWaalsContact O-N 3.11Å; L1474-K1477 WeakPolarHBondContact O-CA 3.28Å; L1474-K1477 PolarHBondContact O-N 2.83Å; L1474-D1478 HydrophobicContact CB-CB 4.41Å; L1474-D1478 WeakPolarHBondContact CB-O 3.48Å; L1474-D1478 HydrophobicContact CD1-CB 4.08Å; L1474-D1478 PolarHBondContact N-O 2.66Å; L1474-F1480 HydrophobicContact CD1-CB 3.98Å; L1474-F1480 HydrophobicContact CD2-CB 4.27Å; L1474-F1480 HydrophobicContact CG-CB 4Å
1475P62.5Low71.4Confident33 Ų3344.6 Ų44.621%0.21421%0.211CC..THydrogen-bonded Turntrans-58-25.2178.6-26.736.3000114.7P1396 K1477P1396-P1475 HydrophobicContact CB-CG 4.4Å; P1396-P1475 WeakPolarHBondContact O-CD 3.24Å; P1396-P1475 WeakPolarHBondContact O-CG 3.34Å; P1475-K1477 PolarHBondContact O-N 2.87Å
1476T64.6Low73Confident12 Ų1238.4 Ų38.47%0.07419%0.187CC..THydrogen-bonded Turntrans-75.2-5173.447.40000114.3W1343 T1400 L1474 D1478W1343-T1476 HydrophobicContact CD2-CG2 4.4Å; W1343-T1476 HydrophobicContact CE3-CG2 4.28Å; T1400-T1476 HydrophobicContact CG2-CG2 3.79Å; L1474-T1476 PolarHBondContact O-N 3.13Å; L1474-T1476 VanDerWaalsContact O-N 3.11Å; T1476-D1478 VanDerWaalsContact C-N 3.27Å; T1476-D1478 VanDerWaalsContact CB-OD2 3.3Å; T1476-D1478 WeakPolarHBondContact CB-OD2 3.26Å; T1476-D1478 PolarHBondContact OG1-OD2 2.84Å
1477K68.2Low74.3Confident140 Ų14034 Ų3461%0.60917%0.166SC*.SBendtrans74.32.8-167.6-49.6172.8-175.1170.70115.5P1353 L1474 P1475P1353-K1477 WeakPolarHBondContact CB-O 3.37Å; L1474-K1477 WeakPolarHBondContact O-CA 3.28Å; L1474-K1477 PolarHBondContact O-N 2.83Å; P1475-K1477 PolarHBondContact O-N 2.87Å
1478D73Confident75.4Confident5 Ų529.6 Ų29.63%0.02715%0.145CC..PPolyproline II helixtrans-65.8145.3173-55.2-34.8000110.6L1354 L1474 T1476L1354-D1478 HydrophobicContact CB-CB 4.25Å; L1354-D1478 WeakPolarHBondContact CB-OD1 3.39Å; L1354-D1478 CarbonylContact O-C 3.59Å; L1354-D1478 VanDerWaalsContact O-CA 3.31Å; L1354-D1478 WeakPolarHBondContact O-CA 3.27Å; L1354-D1478 WeakPolarHBondContact O-CB 3.47Å; L1474-D1478 HydrophobicContact CB-CB 4.41Å; L1474-D1478 WeakPolarHBondContact CB-O 3.48Å; L1474-D1478 HydrophobicContact CD1-CB 4.08Å; L1474-D1478 PolarHBondContact N-O 2.66Å; T1476-D1478 VanDerWaalsContact C-N 3.27Å; T1476-D1478 VanDerWaalsContact CB-OD2 3.3Å; T1476-D1478 WeakPolarHBondContact CB-OD2 3.26Å; T1476-D1478 PolarHBondContact OG1-OD2 2.84Å
1479I79.3Confident76.3Confident34 Ų3425 Ų2517%0.17412%0.124CC..EExtended strand (participates in β ladder)trans-96.6116.6175.5-54.6177000108.9P1353 L1354 N1355 T1356 I1431 L1481P1353-I1479 HydrophobicContact CB-CD1 4.33Å; P1353-I1479 HydrophobicContact CB-CG1 4.14Å; P1353-I1479 HydrophobicContact CG-CD1 3.7Å; P1353-I1479 HydrophobicContact CG-CG1 4.08Å; L1354-I1479 PolarHBondContact O-N 3.19Å; N1355-I1479 WeakPolarHBondContact CA-O 3.21Å; N1355-I1479 WeakPolarHBondContact OD1-CB 3.18Å; T1356-I1479 PolarHBondContact N-O 3.03Å; I1431-I1479 HydrophobicContact CD1-CG2 4.16Å; I1479-L1481 HydrophobicContact CG2-CD2 3.78Å
1480F81.8Confident76.5Confident21 Ų2126.4 Ų26.49%0.09213%0.132CC..EExtended strand (participates in β ladder)trans-90.5127.6173.9179.4-114.9000110.3Y1358 L1393 W1399 S1471 K1472 L1474Y1358-F1480 VanDerWaalsContact CB-CZ 3.4Å; Y1358-F1480 HydrophobicContact CG-CZ 4.32Å; L1393-F1480 HydrophobicContact CB-CZ 4.38Å; L1393-F1480 HydrophobicContact CD2-CE2 4.41Å; L1393-F1480 HydrophobicContact CD2-CZ 4.16Å; W1399-F1480 AromaticContact CD2-CD2 3.99Å; W1399-F1480 HydrophobicContact CD2-CD2 3.99Å; W1399-F1480 HydrophobicContact CD2-CE2 4.05Å; W1399-F1480 AromaticContact CE3-CD2 3.85Å; W1399-F1480 HydrophobicContact CE3-CD2 3.85Å; W1399-F1480 AromaticContact CE3-CE2 3.43Å; W1399-F1480 HydrophobicContact CE3-CE2 3.43Å; W1399-F1480 VanDerWaalsContact CE3-CE2 3.43Å; W1399-F1480 HydrophobicContact CE3-CZ 4.28Å; W1399-F1480 HydrophobicContact CH2-CE2 4.11Å; W1399-F1480 HydrophobicContact CZ3-CD2 4.15Å; W1399-F1480 AromaticContact CZ3-CE2 3.46Å; W1399-F1480 HydrophobicContact CZ3-CE2 3.46Å; W1399-F1480 VanDerWaalsContact CZ3-CE2 3.46Å; W1399-F1480 HydrophobicContact CZ3-CZ 4.37Å; S1471-F1480 VanDerWaalsContact CA-O 3.29Å; S1471-F1480 WeakPolarHBondContact CA-O 3.47Å; K1472-F1480 PolarHBondContact N-O 2.83Å; K1472-F1480 PolarHBondContact O-N 3.1Å; L1474-F1480 HydrophobicContact CD1-CB 3.98Å; L1474-F1480 HydrophobicContact CD2-CB 4.27Å; L1474-F1480 HydrophobicContact CG-CB 4Å
1481L84.5Confident76.8Confident10 Ų1026.8 Ų26.85%0.05213%0.131CC..EExtended strand (participates in β ladder)trans-112.9127.3-178.9-51.8178.1000110.4T1356 F1357 Y1358 P1469 I1479T1356-L1481 WeakPolarHBondContact O-CB 3.45Å; T1356-L1481 WeakPolarHBondContact O-CG 3.3Å; T1356-L1481 PolarHBondContact O-N 3.48Å; F1357-L1481 CarbonylContact C-O 3.55Å; F1357-L1481 WeakPolarHBondContact CA-O 3.29Å; F1357-L1481 HydrophobicContact CB-CB 4.15Å; F1357-L1481 WeakPolarHBondContact CB-O 3.27Å; Y1358-L1481 PolarHBondContact N-O 3.34Å; P1469-L1481 HydrophobicContact CG-CB 4.42Å; P1469-L1481 HydrophobicContact CG-CD2 4.45Å; I1479-L1481 HydrophobicContact CG2-CD2 3.78Å
1482N84.5Confident77.1Confident21 Ų2126.5 Ų26.511%0.11213%0.128CC..EExtended strand (participates in β ladder)trans-89.1119.3168.7-167.11.5000109.9Y1358 P1469 S1470 T1484Y1358-N1482 PolarHBondContact O-OD1 2.96Å; P1469-N1482 WeakPolarHBondContact CB-O 3.24Å; S1470-N1482 PolarHBondContact O-N 2.69Å; N1482-T1484 WeakPolarHBondContact OD1-CG2 3.4Å; N1482-T1484 PolarHBondContact OD1-N 3.15Å; N1482-T1484 PolarHBondContact OD1-OG1 2.82Å
1483L83.3Confident77.2Confident0 Ų026 Ų260%013%0.128CC..  trans-108.913.2-177-62.8-176.4000113.6F1357 Y1358 P1469 S1485 F1486 V1488 Y1491F1357-L1483 HydrophobicContact CB-CD1 3.65Å; F1357-L1483 HydrophobicContact CB-CG 3.95Å; F1357-L1483 HydrophobicContact CD1-CD1 4.3Å; F1357-L1483 HydrophobicContact CD2-CD1 3.69Å; F1357-L1483 HydrophobicContact CD2-CG 4.46Å; F1357-L1483 HydrophobicContact CE2-CD1 4.38Å; F1357-L1483 HydrophobicContact CG-CD1 3.63Å; F1357-L1483 HydrophobicContact CG-CG 4.41Å; Y1358-L1483 PolarHBondContact O-N 3.46Å; P1469-L1483 HydrophobicContact CB-CD2 3.76Å; P1469-L1483 HydrophobicContact CG-CD2 3.81Å; L1483-S1485 PolarHBondContact O-N 3.45Å; L1483-F1486 HydrophobicContact CD2-CD2 4.01Å; L1483-F1486 PolarHBondContact O-N 2.94Å; L1483-V1488 HydrophobicContact CB-CG2 3.99Å; L1483-V1488 HydrophobicContact CD1-CG2 4.09Å; L1483-Y1491 HydrophobicContact CD1-CD1 3.63Å; L1483-Y1491 HydrophobicContact CD1-CE1 3.78Å; L1483-Y1491 HydrophobicContact CD2-CD1 3.86Å; L1483-Y1491 HydrophobicContact CD2-CE1 3.58Å; L1483-Y1491 HydrophobicContact CD2-CE2 4.47Å; L1483-Y1491 HydrophobicContact CD2-CG 4.41Å; L1483-Y1491 HydrophobicContact CG-CD1 4.43Å; L1483-Y1491 HydrophobicContact CG-CE1 4.37Å
1484T80.9Confident77.2Confident7 Ų729.7 Ų29.74%0.04314%0.138CC..THydrogen-bonded Turntrans-48.9-31.6173.2440000114.4N1360 Y1363 M1440 R1444 N1482 F1486N1360-T1484 HydrophobicContact CB-CG2 3.78Å; Y1363-T1484 HydrophobicContact CD2-CG2 4.29Å; Y1363-T1484 HydrophobicContact CE2-CG2 4.46Å; M1440-T1484 PolarHBondContact SD-OG1 3.3Å; R1444-T1484 VanDerWaalsContact CZ-O 3.3Å; R1444-T1484 PolarHBondContact NE-O 3.2Å; N1482-T1484 WeakPolarHBondContact OD1-CG2 3.4Å; N1482-T1484 PolarHBondContact OD1-N 3.15Å; N1482-T1484 PolarHBondContact OD1-OG1 2.82Å; T1484-F1486 VanDerWaalsContact C-N 3.32Å
1485S75.1Confident77.7Confident1 Ų130.3 Ų30.31%0.00714%0.142CC..THydrogen-bonded Turntrans-85.55.4178.463.70000114.8L1435 I1443 R1444 L1483L1435-S1485 WeakPolarHBondContact CD1-OG 3.27Å; I1443-S1485 VanDerWaalsContact CG2-O 3.22Å; I1443-S1485 WeakPolarHBondContact CG2-O 3.43Å; R1444-S1485 WeakPolarHBondContact CG-O 3.48Å; L1483-S1485 PolarHBondContact O-N 3.45Å
1486F77Confident78.3Confident14 Ų1430.5 Ų30.56%0.06114%0.14CC..SBendtrans-127163.3-177.2-64.2-89.7000110.8I1443 R1444 Q1447 Q1467 P1469 L1483 T1484 Y1491I1443-F1486 HydrophobicContact CG2-CD1 4.2Å; I1443-F1486 HydrophobicContact CG2-CE1 3.81Å; I1443-F1486 HydrophobicContact CG2-CZ 4.03Å; R1444-F1486 PolarHBondContact NE-O 3.39Å; R1444-F1486 PolarHBondContact NH2-O 3.16Å; Q1447-F1486 VanDerWaalsContact NE2-CD1 3.34Å; Q1467-F1486 WeakPolarHBondContact O-CZ 3.32Å; P1469-F1486 HydrophobicContact CB-CD2 4.43Å; P1469-F1486 HydrophobicContact CB-CE2 3.84Å; L1483-F1486 HydrophobicContact CD2-CD2 4.01Å; L1483-F1486 PolarHBondContact O-N 2.94Å; T1484-F1486 VanDerWaalsContact C-N 3.32Å; F1486-Y1491 HydrophobicContact CD1-CD2 4Å; F1486-Y1491 HydrophobicContact CE1-CD2 4.39Å; F1486-Y1491 HydrophobicContact CG-CD2 4.34Å
1487K78.1Confident78.4Confident80 Ų8032.9 Ų32.935%0.34815%0.152SC..  trans-91.2109.1163.5-177.8175.8165.6-144.10108.3S1489 D1490 Y1491K1487-S1489 VanDerWaalsContact C-N 3.34Å; K1487-S1489 WeakPolarHBondContact CE-OG 3.36Å; K1487-S1489 PolarHBondContact O-N 3.34Å; K1487-D1490 WeakPolarHBondContact CD-OD2 3.32Å; K1487-D1490 WeakPolarHBondContact CE-OD2 3.48Å; K1487-D1490 IonicContact NZ-OD1 3.91Å; K1487-D1490 PolarHBondContact NZ-OD1 3.12Å; K1487-D1490 IonicContact NZ-OD2 2.9Å; K1487-D1490 PolarHBondContact NZ-OD2 3.44Å; K1487-D1490 PolarHBondContact O-N 3.05Å; K1487-D1490 VanDerWaalsContact O-N 3.15Å; K1487-Y1491 PolarHBondContact O-N 3.3Å; K1487-Y1491 VanDerWaalsContact O-N 3.1Å
1488V82.4Confident78.4Confident2 Ų231.8 Ų31.81%0.01215%0.149CC..Hα-helixtrans-57.3-40.1-167.3163.30000113.6F1357 E1359 L1483 D1490 L1492 W1575F1357-V1488 HydrophobicContact CE2-CG1 3.64Å; F1357-V1488 HydrophobicContact CE2-CG2 4.21Å; F1357-V1488 HydrophobicContact CZ-CG1 3.86Å; E1359-V1488 HydrophobicContact CB-CG2 3.92Å; E1359-V1488 VanDerWaalsContact CD-CG2 3.41Å; E1359-V1488 HydrophobicContact CG-CG2 4.15Å; E1359-V1488 VanDerWaalsContact OE1-CG2 3.25Å; E1359-V1488 WeakPolarHBondContact OE1-CG2 3.49Å; L1483-V1488 HydrophobicContact CB-CG2 3.99Å; L1483-V1488 HydrophobicContact CD1-CG2 4.09Å; V1488-D1490 VanDerWaalsContact C-N 3.31Å; V1488-D1490 PolarHBondContact O-N 3.45Å; V1488-L1492 HydrophobicContact CG1-CD1 3.74Å; V1488-L1492 HydrophobicContact CG1-CG 4.16Å; V1488-L1492 WeakPolarHBondContact O-CB 3.22Å; V1488-L1492 WeakPolarHBondContact O-CG 3.29Å; V1488-L1492 PolarHBondContact O-N 3.13Å; V1488-W1575 HydrophobicContact CB-CZ2 4.43Å; V1488-W1575 HydrophobicContact CG1-CD2 4.06Å; V1488-W1575 HydrophobicContact CG1-CG 4.44Å; V1488-W1575 HydrophobicContact CG1-CH2 4.48Å; V1488-W1575 HydrophobicContact CG1-CZ2 3.95Å
1489S82.2Confident78.4Confident9 Ų933.3 Ų33.36%0.06316%0.155CC..Hα-helixtrans-55.6-46.1178.552.90000112.5K1487 L1492 I1493K1487-S1489 VanDerWaalsContact C-N 3.34Å; K1487-S1489 WeakPolarHBondContact CE-OG 3.36Å; K1487-S1489 PolarHBondContact O-N 3.34Å; S1489-L1492 PolarHBondContact O-N 3.34Å; S1489-I1493 WeakPolarHBondContact O-CG1 3.5Å; S1489-I1493 PolarHBondContact O-N 3.49Å; S1489-I1493 VanDerWaalsContact O-N 3.14Å
1490D77.3Confident77.9Confident36 Ų3633.7 Ų33.719%0.19316%0.157CC..Hα-helixtrans-84.9-34.6-167.5-56.15.1000109.6K1487 V1488 I1493 R1494K1487-D1490 WeakPolarHBondContact CD-OD2 3.32Å; K1487-D1490 WeakPolarHBondContact CE-OD2 3.48Å; K1487-D1490 IonicContact NZ-OD1 3.91Å; K1487-D1490 PolarHBondContact NZ-OD1 3.12Å; K1487-D1490 IonicContact NZ-OD2 2.9Å; K1487-D1490 PolarHBondContact NZ-OD2 3.44Å; K1487-D1490 PolarHBondContact O-N 3.05Å; K1487-D1490 VanDerWaalsContact O-N 3.15Å; V1488-D1490 VanDerWaalsContact C-N 3.31Å; V1488-D1490 PolarHBondContact O-N 3.45Å; D1490-I1493 PolarHBondContact O-N 2.9Å; D1490-R1494 WeakPolarHBondContact O-CB 3.46Å; D1490-R1494 VanDerWaalsContact O-CG 3.32Å; D1490-R1494 WeakPolarHBondContact O-CG 3.33Å; D1490-R1494 PolarHBondContact O-N 2.75Å
1491Y81.9Confident77.1Confident21 Ų2134 Ų348%0.08216%0.158CC..Hα-helixtrans-62.2-39.6167.8179.2-97.5000112.3L1483 F1486 K1487 T1495 R1503L1483-Y1491 HydrophobicContact CD1-CD1 3.63Å; L1483-Y1491 HydrophobicContact CD1-CE1 3.78Å; L1483-Y1491 HydrophobicContact CD2-CD1 3.86Å; L1483-Y1491 HydrophobicContact CD2-CE1 3.58Å; L1483-Y1491 HydrophobicContact CD2-CE2 4.47Å; L1483-Y1491 HydrophobicContact CD2-CG 4.41Å; L1483-Y1491 HydrophobicContact CG-CD1 4.43Å; L1483-Y1491 HydrophobicContact CG-CE1 4.37Å; F1486-Y1491 HydrophobicContact CD1-CD2 4Å; F1486-Y1491 HydrophobicContact CE1-CD2 4.39Å; F1486-Y1491 HydrophobicContact CG-CD2 4.34Å; K1487-Y1491 PolarHBondContact O-N 3.3Å; K1487-Y1491 VanDerWaalsContact O-N 3.1Å; Y1491-T1495 HydrophobicContact CD2-CG2 3.95Å; Y1491-T1495 HydrophobicContact CE1-CG2 4.47Å; Y1491-T1495 HydrophobicContact CE2-CG2 3.59Å; Y1491-T1495 WeakPolarHBondContact O-CB 3.01Å; Y1491-T1495 PolarHBondContact O-N 2.89Å; Y1491-T1495 PolarHBondContact O-OG1 2.82Å; Y1491-R1503 PolarHBondContact OH-NH2 3.47Å
1492L83.8Confident76.7Confident7 Ų735.3 Ų35.34%0.03716%0.164CC..Hα-helixtrans-64.7-42.5175.8-75.9176000112.1F540 P541 F1357 V1488 S1489 Q1496 R1503 W1575F540-L1492 HydrophobicContact CD1-CD1 3.96Å; F540-L1492 HydrophobicContact CD2-CD1 4.45Å; F540-L1492 HydrophobicContact CD2-CD2 4.16Å; F540-L1492 HydrophobicContact CE1-CD1 4.23Å; F540-L1492 HydrophobicContact CE2-CD2 3.93Å; F540-L1492 HydrophobicContact CG-CD1 4.08Å; F540-L1492 HydrophobicContact CZ-CD2 4.14Å; P541-L1492 HydrophobicContact CG-CB 4.29Å; F1357-L1492 HydrophobicContact CE1-CD1 4.45Å; F1357-L1492 HydrophobicContact CE1-CD2 3.94Å; F1357-L1492 HydrophobicContact CZ-CD1 4.11Å; F1357-L1492 HydrophobicContact CZ-CD2 4.36Å; V1488-L1492 HydrophobicContact CG1-CD1 3.74Å; V1488-L1492 HydrophobicContact CG1-CG 4.16Å; V1488-L1492 WeakPolarHBondContact O-CB 3.22Å; V1488-L1492 WeakPolarHBondContact O-CG 3.29Å; V1488-L1492 PolarHBondContact O-N 3.13Å; S1489-L1492 PolarHBondContact O-N 3.34Å; L1492-Q1496 WeakPolarHBondContact O-CA 3.37Å; L1492-Q1496 WeakPolarHBondContact O-CB 3.4Å; L1492-Q1496 PolarHBondContact O-N 3.2Å; L1492-Q1496 VanDerWaalsContact O-N 3.11Å; L1492-R1503 VanDerWaalsContact CD2-CD 3.5Å; L1492-W1575 HydrophobicContact CD1-CE3 4.15Å
1493I78.4Confident76.7Confident32 Ų3234.8 Ų34.816%0.16416%0.16CC..Hα-helixtrans-65.4-54.4175.4-64.5166.6000110.5P541 S1489 D1490 T1495 Q1496P541-I1493 HydrophobicContact CB-CD1 4.04Å; P541-I1493 HydrophobicContact CB-CG1 3.97Å; P541-I1493 HydrophobicContact CG-CD1 4.15Å; P541-I1493 HydrophobicContact CG-CG1 3.8Å; S1489-I1493 WeakPolarHBondContact O-CG1 3.5Å; S1489-I1493 PolarHBondContact O-N 3.49Å; S1489-I1493 VanDerWaalsContact O-N 3.14Å; D1490-I1493 PolarHBondContact O-N 2.9Å; I1493-T1495 VanDerWaalsContact C-N 3.29Å; I1493-T1495 PolarHBondContact O-N 2.88Å; I1493-Q1496 VanDerWaalsContact O-CB 3.28Å; I1493-Q1496 WeakPolarHBondContact O-CB 3.42Å; I1493-Q1496 PolarHBondContact O-N 2.99Å
1494R74.3Confident76.8Confident132 Ų13235.1 Ų35.150%0.49816%0.162SC..Hα-helixtrans-62.8-32.7-175.5-71.1178.6177.6-166.3-2.2112.7E1450 D1490E1450-R1494 PolarHBondContact O-NH2 2.99Å; D1490-R1494 WeakPolarHBondContact O-CB 3.46Å; D1490-R1494 VanDerWaalsContact O-CG 3.32Å; D1490-R1494 WeakPolarHBondContact O-CG 3.33Å; D1490-R1494 PolarHBondContact O-N 2.75Å
1495T77.9Confident77.2Confident19 Ų1934.8 Ų34.812%0.11716%0.16CC..THydrogen-bonded Turntrans-99.27.6178.367.60000114.8Y1491 I1493 N1497 Q1498 Y1499 R1503Y1491-T1495 HydrophobicContact CD2-CG2 3.95Å; Y1491-T1495 HydrophobicContact CE1-CG2 4.47Å; Y1491-T1495 HydrophobicContact CE2-CG2 3.59Å; Y1491-T1495 WeakPolarHBondContact O-CB 3.01Å; Y1491-T1495 PolarHBondContact O-N 2.89Å; Y1491-T1495 PolarHBondContact O-OG1 2.82Å; I1493-T1495 VanDerWaalsContact C-N 3.29Å; I1493-T1495 PolarHBondContact O-N 2.88Å; T1495-N1497 VanDerWaalsContact C-N 3.31Å; T1495-N1497 PolarHBondContact O-N 2.61Å; T1495-Q1498 PolarHBondContact O-N 2.69Å; T1495-Y1499 HydrophobicContact CG2-CE2 4.3Å; T1495-Y1499 WeakPolarHBondContact O-CD2 3.45Å; T1495-Y1499 PolarHBondContact O-N 2.97Å; T1495-R1503 PolarHBondContact OG1-NH1 3.15Å
1496Q76.1Confident77.8Confident38 Ų3834.8 Ų34.818%0.17816%0.16CC..THydrogen-bonded Turntrans-53.3-46.1-176.4-170.5-171.3-92.500112.4S543 L1492 I1493 I1500S543-Q1496 PolarHBondContact OG-NE2 3.08Å; L1492-Q1496 WeakPolarHBondContact O-CA 3.37Å; L1492-Q1496 WeakPolarHBondContact O-CB 3.4Å; L1492-Q1496 PolarHBondContact O-N 3.2Å; L1492-Q1496 VanDerWaalsContact O-N 3.11Å; I1493-Q1496 VanDerWaalsContact O-CB 3.28Å; I1493-Q1496 WeakPolarHBondContact O-CB 3.42Å; I1493-Q1496 PolarHBondContact O-N 2.99Å; Q1496-I1500 WeakPolarHBondContact O-CG1 3.47Å; Q1496-I1500 PolarHBondContact O-N 3.09Å
1497N66.1Low78.4Confident61 Ų6134.2 Ų34.233%0.32616%0.157SC..THydrogen-bonded Turntrans-72.2-30-176.4-72.22.6000113.4T1495T1495-N1497 VanDerWaalsContact C-N 3.31Å; T1495-N1497 PolarHBondContact O-N 2.61Å
1498Q69.1Low78.9Confident118 Ų11830.4 Ų30.455%0.55114%0.141SC*.THydrogen-bonded Turntrans-72.2-31.4179.2-172.8179.118.500112.3T1495T1495-Q1498 PolarHBondContact O-N 2.69Å
1499Y72.1Confident79.1Confident37 Ų3730.3 Ų30.315%0.14514%0.14CC..THydrogen-bonded Turntrans-117.825-172.3-57.3-63.3000113.4N1355 T1495 K1501 Q1502 R1503N1355-Y1499 WeakPolarHBondContact ND2-CD1 3.5Å; N1355-Y1499 WeakPolarHBondContact ND2-CE1 3.32Å; T1495-Y1499 HydrophobicContact CG2-CE2 4.3Å; T1495-Y1499 WeakPolarHBondContact O-CD2 3.45Å; T1495-Y1499 PolarHBondContact O-N 2.97Å; Y1499-K1501 PolarHBondContact O-N 3.1Å; Y1499-Q1502 PolarHBondContact O-N 2.95Å; Y1499-R1503 PolarHBondContact O-N 3.04Å
1500I68.3Low79Confident42 Ų4230.7 Ų30.722%0.21514%0.141CC..THydrogen-bonded Turntrans-51.8126.9170.1-65.1-177.4000108.5W461 Q1496 Q1502W461-I1500 HydrophobicContact CH2-CD1 4.43Å; W461-I1500 HydrophobicContact CZ2-CD1 4.16Å; Q1496-I1500 WeakPolarHBondContact O-CG1 3.47Å; Q1496-I1500 PolarHBondContact O-N 3.09Å; I1500-Q1502 PolarHBondContact O-N 3.44Å; I1500-Q1502 VanDerWaalsContact O-N 3.08Å
1501K65.2Low78.9Confident27 Ų2730.2 Ų30.212%0.11714%0.139CC..THydrogen-bonded Turntrans60.36.3-176.6-63.9174.9167.8-176.80117.1D734 Y1499 Y1504D734-K1501 IonicContact OD1-NZ 2.69Å; D734-K1501 PolarHBondContact OD1-NZ 2.73Å; D734-K1501 IonicContact OD2-NZ 2.77Å; D734-K1501 PolarHBondContact OD2-NZ 2.69Å; Y1499-K1501 PolarHBondContact O-N 3.1Å; K1501-Y1504 WeakPolarHBondContact CA-OH 3.18Å; K1501-Y1504 VanDerWaalsContact O-CE2 3.23Å; K1501-Y1504 WeakPolarHBondContact O-CE2 3.16Å
1502Q76Confident78.3Confident37 Ų3731.8 Ų31.817%0.17315%0.147CC..THydrogen-bonded Turntrans-99-36.7169.3-65.2-179.98.700111.6L1352 N1355 Y1499 I1500L1352-Q1502 HydrophobicContact CB-CG 4.32Å; N1355-Q1502 HydrophobicContact CB-CB 4.4Å; N1355-Q1502 PolarHBondContact N-O 3Å; N1355-Q1502 PolarHBondContact ND2-OE1 3.29Å; Y1499-Q1502 PolarHBondContact O-N 2.95Å; I1500-Q1502 PolarHBondContact O-N 3.44Å; I1500-Q1502 VanDerWaalsContact O-N 3.08Å
1503R85.3Confident77Confident10 Ų1036.1 Ų36.14%0.03817%0.171CC..BIsolated β-bridgetrans-106.4115.3-174.4-165.8-177.5-70.1144.20.4112.7F540 N1355 F1357 Y1491 L1492 T1495 Y1499F540-R1503 HydrophobicContact CE2-CB 4.36Å; F540-R1503 HydrophobicContact CE2-CG 3.79Å; F540-R1503 HydrophobicContact CZ-CG 3.87Å; N1355-R1503 HydrophobicContact CB-CB 4.39Å; N1355-R1503 WeakPolarHBondContact O-CA 3.22Å; N1355-R1503 WeakPolarHBondContact O-CG 3.23Å; F1357-R1503 HydrophobicContact CD1-CG 4.42Å; Y1491-R1503 PolarHBondContact OH-NH2 3.47Å; L1492-R1503 VanDerWaalsContact CD2-CD 3.5Å; T1495-R1503 PolarHBondContact OG1-NH1 3.15Å; Y1499-R1503 PolarHBondContact O-N 3.04Å
1504Y85.6Confident76.2Confident8 Ų839.1 Ų39.13%0.03118%0.18CC..  trans-117.6-13.6-178.8-71.6-76.9000115.5L457 M1345 L1354 K1501 N1577 Y1587L457-Y1504 WeakPolarHBondContact CD1-OH 3.45Å; L457-Y1504 HydrophobicContact CD2-CD1 4.28Å; L457-Y1504 HydrophobicContact CD2-CE1 3.46Å; L457-Y1504 VanDerWaalsContact CD2-CE1 3.46Å; L457-Y1504 HydrophobicContact CD2-CE2 4.1Å; L457-Y1504 VanDerWaalsContact CD2-OH 3.28Å; L457-Y1504 WeakPolarHBondContact CD2-OH 3.14Å; M1345-Y1504 HydrophobicContact CB-CD2 3.85Å; M1345-Y1504 HydrophobicContact CB-CE2 4.09Å; M1345-Y1504 HydrophobicContact CB-CG 4.24Å; M1345-Y1504 HydrophobicContact SD-CD1 4.1Å; M1345-Y1504 HydrophobicContact SD-CD2 4.44Å; M1345-Y1504 HydrophobicContact SD-CG 3.86Å; L1354-Y1504 HydrophobicContact CD1-CD2 3.82Å; L1354-Y1504 HydrophobicContact CD1-CE2 4.4Å; K1501-Y1504 WeakPolarHBondContact CA-OH 3.18Å; K1501-Y1504 VanDerWaalsContact O-CE2 3.23Å; K1501-Y1504 WeakPolarHBondContact O-CE2 3.16Å; Y1504-N1577 HydrophobicContact CD1-CB 4.44Å; Y1504-N1577 PolarHBondContact O-N 3.35Å; Y1504-Y1587 VanDerWaalsContact C-CE2 3.46Å
1505G88.8Confident75.2Confident0 Ų035.7 Ų35.70%018%0.175CC..EExtended strand (participates in β ladder)trans-177.8-179.9175.800000114.3W1575 Y1587G1505-W1575 CarbonylContact C-O 3.12Å; G1505-W1575 WeakPolarHBondContact CA-O 3.36Å; G1505-Y1587 VanDerWaalsContact CA-CZ 3.47Å; G1505-Y1587 VanDerWaalsContact N-CE2 3.31Å; G1505-Y1587 PolarHBondContact N-OH 3.15Å
1506G88.5Confident74.1Confident0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-175.5172.5179.800000111.3F1357 W1575F1357-G1506 CarbonylContact O-C 3.51Å; F1357-G1506 WeakPolarHBondContact O-CA 3.47Å; G1506-W1575 PolarHBondContact N-O 2.79Å; G1506-W1575 PolarHBondContact O-N 2.78Å
1507L88.7Confident73Confident3 Ų336.3 Ų36.32%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-122.4136.2-176.2-62.2179.9000110.3F1357 Y1358 E1359 W1399 I1574 L1591F1357-L1507 PolarHBondContact O-N 3.49Å; Y1358-L1507 CarbonylContact C-O 3.6Å; Y1358-L1507 VanDerWaalsContact CA-O 3.26Å; Y1358-L1507 WeakPolarHBondContact CA-O 3.42Å; Y1358-L1507 HydrophobicContact CD2-CB 4.35Å; Y1358-L1507 WeakPolarHBondContact CD2-O 3.2Å; E1359-L1507 PolarHBondContact N-O 2.93Å; W1399-L1507 HydrophobicContact CH2-CB 4.1Å; W1399-L1507 HydrophobicContact CH2-CD1 3.86Å; W1399-L1507 HydrophobicContact CH2-CG 3.68Å; W1399-L1507 HydrophobicContact CZ3-CB 4.33Å; W1399-L1507 HydrophobicContact CZ3-CD1 3.75Å; W1399-L1507 HydrophobicContact CZ3-CG 4.04Å; L1507-I1574 HydrophobicContact CD2-CB 4.25Å; L1507-I1574 HydrophobicContact CD2-CG1 3.71Å; L1507-I1574 HydrophobicContact CD2-CG2 4.23Å; L1507-L1591 HydrophobicContact CD1-CB 4.22Å; L1507-L1591 HydrophobicContact CD1-CD1 4.23Å; L1507-L1591 HydrophobicContact CD2-CB 4.27Å; L1507-L1591 HydrophobicContact CD2-CD1 3.88Å
1508S88Confident72.5Confident0 Ų036.9 Ų36.90%018%0.181CC..EExtended strand (participates in β ladder)trans-126.8131.5169.465.40000113E1359 H1510 F1572 R1573 W1575E1359-S1508 CarbonylContact O-C 3.58Å; E1359-S1508 VanDerWaalsContact O-CA 3.23Å; E1359-S1508 WeakPolarHBondContact O-CA 3.46Å; E1359-S1508 WeakPolarHBondContact OE2-CB 3.4Å; E1359-S1508 PolarHBondContact OE2-OG 2.9Å; S1508-H1510 PolarHBondContact OG-CE1 3.47Å; S1508-H1510 VanDerWaalsContact OG-CE1 3.23Å; S1508-F1572 WeakPolarHBondContact O-CA 3.41Å; S1508-R1573 PolarHBondContact N-O 2.78Å; S1508-R1573 PolarHBondContact O-N 3.4Å; S1508-R1573 WeakPolarHBondContact OG-CB 3.37Å; S1508-R1573 PolarHBondContact OG-O 2.04Å; S1508-W1575 PolarHBondContact OG-NE1 3.37Å
1509Y86.9Confident72Confident0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-86.3131.4175.5-175.1-86.3000109.7I533 E1359 N1361 V1382 A1386 Y1389 T1511 S1570 F1572I533-Y1509 HydrophobicContact CD1-CE2 3.82Å; E1359-Y1509 PolarHBondContact O-N 3.01Å; N1361-Y1509 WeakPolarHBondContact CB-O 3.39Å; N1361-Y1509 PolarHBondContact N-O 3.39Å; V1382-Y1509 PolarHBondContact O-OH 2.98Å; A1386-Y1509 HydrophobicContact CB-CD1 3.98Å; A1386-Y1509 HydrophobicContact CB-CE1 3.57Å; A1386-Y1509 HydrophobicContact CB-CE2 4.2Å; A1386-Y1509 HydrophobicContact CB-CG 4.48Å; Y1389-Y1509 HydrophobicContact CD2-CE2 4.47Å; Y1509-T1511 HydrophobicContact CE1-CG2 4.08Å; Y1509-S1570 VanDerWaalsContact OH-CB 3.3Å; Y1509-S1570 WeakPolarHBondContact OH-CB 3.09Å; Y1509-S1570 PolarHBondContact OH-OG 2.97Å; Y1509-F1572 HydrophobicContact CD2-CD1 4.5Å; Y1509-F1572 AromaticContact CD2-CE1 3.94Å; Y1509-F1572 HydrophobicContact CD2-CE1 3.94Å; Y1509-F1572 HydrophobicContact CD2-CE2 4Å; Y1509-F1572 AromaticContact CD2-CZ 3.67Å; Y1509-F1572 HydrophobicContact CD2-CZ 3.67Å; Y1509-F1572 HydrophobicContact CE2-CE2 4.48Å; Y1509-F1572 HydrophobicContact CE2-CZ 4.47Å; Y1509-F1572 HydrophobicContact CG-CE1 4.49Å
1510H80.8Confident71.2Confident17 Ų1737.8 Ų37.88%0.07919%0.185CC..EExtended strand (participates in β ladder)trans-138.5159.7-175.7-76.936.6000111.4E1359 S1508 S1570 Y1571 R1573E1359-H1510 IonicContact OE2-CE1 3.7Å; S1508-H1510 PolarHBondContact OG-CE1 3.47Å; S1508-H1510 VanDerWaalsContact OG-CE1 3.23Å; H1510-S1570 WeakPolarHBondContact O-CA 3.35Å; H1510-Y1571 HydrophobicContact CB-CD1 4.01Å; H1510-Y1571 HydrophobicContact CB-CD2 3.97Å; H1510-Y1571 HydrophobicContact CB-CE1 3.6Å; H1510-Y1571 HydrophobicContact CB-CE2 3.56Å; H1510-Y1571 HydrophobicContact CB-CG 4.2Å; H1510-Y1571 AromaticContact CD2-CZ 3.85Å; H1510-Y1571 PolarHBondContact CD2-OH 3.22Å; H1510-Y1571 AromaticContact CG-CE2 3.99Å; H1510-Y1571 AromaticContact CG-CZ 3.96Å; H1510-Y1571 PolarHBondContact N-O 3.41Å; H1510-Y1571 PolarHBondContact O-N 3.35Å; H1510-Y1571 VanDerWaalsContact O-O 3.14Å; H1510-R1573 PolarHBondContact CD2-NH1 2.83Å; H1510-R1573 PolarHBondContact NE2-NH1 2.76Å
1511T75.1Confident70.8Confident25 Ų2536 Ų3615%0.15318%0.177CC..EExtended strand (participates in β ladder)trans-129.1148.8175.7500000110.6L1362 V1382 Y1509 I1569L1362-T1511 HydrophobicContact CD1-CG2 3.75Å; V1382-T1511 HydrophobicContact CG1-CG2 3.57Å; Y1509-T1511 HydrophobicContact CE1-CG2 4.08Å; T1511-I1569 WeakPolarHBondContact CA-O 3.35Å
1512H68.5Low70.4Confident54 Ų5440.6 Ų40.625%0.2520%0.197CC..  trans-91.4132174-78.2-69.5000111.8Y1514 P1568 I1569 Y1571H1512-Y1514 PolarHBondContact O-N 3.21Å; H1512-P1568 PolarHBondContact CD2-O 3.01Å; H1512-I1569 PolarHBondContact N-O 3.47Å; H1512-Y1571 AromaticContact CD2-CD1 3.48Å; H1512-Y1571 VanDerWaalsContact CD2-CD1 3.48Å; H1512-Y1571 WeakPolarHBondContact CD2-CD1 3.26Å; H1512-Y1571 AromaticContact CD2-CE1 3.65Å; H1512-Y1571 AromaticContact CE1-CE1 3.56Å; H1512-Y1571 AromaticContact CG-CE1 3.94Å; H1512-Y1571 AromaticContact ND1-CE1 3.88Å; H1512-Y1571 AromaticContact NE2-CD1 3.37Å; H1512-Y1571 WeakPolarHBondContact NE2-CD1 3.42Å; H1512-Y1571 AromaticContact NE2-CE1 3.4Å; H1512-Y1571 WeakPolarHBondContact NE2-CE1 3.07Å
1513N57.9Low69.7Low99 Ų9946.2 Ų46.253%0.52922%0.218SC..SBendtrans-76.418-177.8-66.43.1000114.6P1515N1513-P1515 WeakPolarHBondContact O-CD 3.37Å
1514Y60.4Low68.1Low95 Ų9549 Ų4937%0.37323%0.233SC..  trans-115.262.5-173.1-60.9-77.9000113.3D115 H1512 S1516D115-Y1514 WeakPolarHBondContact OD1-CE1 3.47Å; H1512-Y1514 PolarHBondContact O-N 3.21Å; Y1514-S1516 VanDerWaalsContact C-N 3.28Å; Y1514-S1516 PolarHBondContact O-N 3Å
1515P53.7Low66.6Low59 Ų5950.3 Ų50.338%0.38324%0.24SC..Hα-helixtrans-71.5-21.5175.931.2-34.9000112.9N1513 K1519N1513-P1515 WeakPolarHBondContact O-CD 3.37Å; P1515-K1519 WeakPolarHBondContact O-CB 3.47Å; P1515-K1519 WeakPolarHBondContact O-CG 3.37Å; P1515-K1519 PolarHBondContact O-N 3.21Å
1516S54.1Low65.1Low53 Ų5354.4 Ų54.437%0.37126%0.262SS..Hα-helixtrans-55.4-62.1-179.949.10000112.5N118 Y1514 R1518 K1519 L1520N118-S1516 PolarHBondContact OD1-OG 3.42Å; Y1514-S1516 VanDerWaalsContact C-N 3.28Å; Y1514-S1516 PolarHBondContact O-N 3Å; S1516-R1518 PolarHBondContact O-N 3.13Å; S1516-R1518 VanDerWaalsContact O-N 3.11Å; S1516-K1519 WeakPolarHBondContact O-CA 3.32Å; S1516-K1519 WeakPolarHBondContact O-CB 3.39Å; S1516-K1519 PolarHBondContact O-N 3.05Å; S1516-L1520 PolarHBondContact O-N 2.98Å
1517L54.8Low63.4Low17 Ų1757.4 Ų57.49%0.08928%0.283CS..Hα-helixtrans-61-28.5-173.2-137.4169.7000112.4F114 F117 S1521 L1566F114-L1517 HydrophobicContact CB-CD1 3.8Å; F114-L1517 HydrophobicContact CD1-CD1 3.88Å; F114-L1517 HydrophobicContact CG-CD1 4.3Å; F114-L1517 WeakPolarHBondContact O-CD1 3.2Å; F117-L1517 HydrophobicContact CB-CD1 4.03Å; F117-L1517 HydrophobicContact CB-CD2 4.42Å; F117-L1517 HydrophobicContact CB-CG 4.35Å; L1517-S1521 PolarHBondContact O-N 2.79Å; L1517-S1521 PolarHBondContact O-OG 3.49Å; L1517-L1566 HydrophobicContact CD2-CD1 4.45Å; L1517-L1566 HydrophobicContact CD2-CD2 4.35Å
1518R55.3Low61.6Low74 Ų7463.8 Ų63.828%0.27932%0.317SS..Hα-helixtrans-90.9-22.5175.9-153178.7-162.8149.616.1114.7S1516 S1521 K1522 P1567S1516-R1518 PolarHBondContact O-N 3.13Å; S1516-R1518 VanDerWaalsContact O-N 3.11Å; R1518-S1521 PolarHBondContact O-OG 3.45Å; R1518-K1522 PolarHBondContact O-N 3.39Å; R1518-P1567 PolarHBondContact NH1-O 3.41Å
1519K57.9Low60.1Low122 Ų12266 Ų6653%0.5333%0.329SS..Hα-helixtrans-63-48.4159.5-80177.2170.5-1710109.2P1515 S1516 S1521 K1522 Y1523P1515-K1519 WeakPolarHBondContact O-CB 3.47Å; P1515-K1519 WeakPolarHBondContact O-CG 3.37Å; P1515-K1519 PolarHBondContact O-N 3.21Å; S1516-K1519 WeakPolarHBondContact O-CA 3.32Å; S1516-K1519 WeakPolarHBondContact O-CB 3.39Å; S1516-K1519 PolarHBondContact O-N 3.05Å; K1519-S1521 PolarHBondContact O-N 2.92Å; K1519-K1522 CarbonylContact O-C 3.58Å; K1519-K1522 WeakPolarHBondContact O-CA 3.44Å; K1519-K1522 WeakPolarHBondContact O-CB 3.45Å; K1519-K1522 PolarHBondContact O-N 3.38Å; K1519-K1522 VanDerWaalsContact O-N 3.14Å; K1519-Y1523 WeakPolarHBondContact O-CB 3.42Å; K1519-Y1523 PolarHBondContact O-N 3.27Å
1520L56.4Low58.6Low51 Ų5172.6 Ų72.627%0.26736%0.364SS..Hα-helixtrans-59.4-46.5-179.9-169.5102.6000112.4T121 S1516 K1522 Y1523 L1524T121-L1520 HydrophobicContact CG2-CD1 3.51Å; T121-L1520 HydrophobicContact CG2-CD2 3.65Å; T121-L1520 HydrophobicContact CG2-CG 4.19Å; S1516-L1520 PolarHBondContact O-N 2.98Å; L1520-K1522 VanDerWaalsContact C-N 3.32Å; L1520-K1522 PolarHBondContact O-N 2.83Å; L1520-Y1523 WeakPolarHBondContact O-CA 3.49Å; L1520-Y1523 WeakPolarHBondContact O-CB 3.41Å; L1520-Y1523 PolarHBondContact O-N 3.25Å; L1520-L1524 HydrophobicContact CD2-CD1 3.77Å; L1520-L1524 HydrophobicContact CG-CD1 4.05Å; L1520-L1524 HydrophobicContact CG-CG 4.39Å; L1520-L1524 WeakPolarHBondContact O-CG 3.31Å; L1520-L1524 PolarHBondContact O-N 3.5Å
1521S58.7Low57.6Low6 Ų678.6 Ų78.64%0.04239%0.39CS..Hα-helixtrans-64.9-34.9176.360.70000112.7L1517 R1518 K1519 Y1523 L1525L1517-S1521 PolarHBondContact O-N 2.79Å; L1517-S1521 PolarHBondContact O-OG 3.49Å; R1518-S1521 PolarHBondContact O-OG 3.45Å; K1519-S1521 PolarHBondContact O-N 2.92Å; S1521-Y1523 VanDerWaalsContact C-N 3.33Å; S1521-L1525 VanDerWaalsContact O-CB 3.26Å; S1521-L1525 WeakPolarHBondContact O-CB 3.47Å; S1521-L1525 WeakPolarHBondContact O-CD1 3.35Å; S1521-L1525 VanDerWaalsContact O-CG 3.24Å; S1521-L1525 WeakPolarHBondContact O-CG 3.38Å; S1521-L1525 PolarHBondContact O-N 2.79Å
1522K57.4Low56.8Low123 Ų12378.9 Ų78.954%0.53539%0.39SS..Hα-helixtrans-66.2-30.7168.2-80.9-170.8170-169.30113.6R1518 K1519 L1520 N1526R1518-K1522 PolarHBondContact O-N 3.39Å; K1519-K1522 CarbonylContact O-C 3.58Å; K1519-K1522 WeakPolarHBondContact O-CA 3.44Å; K1519-K1522 WeakPolarHBondContact O-CB 3.45Å; K1519-K1522 PolarHBondContact O-N 3.38Å; K1519-K1522 VanDerWaalsContact O-N 3.14Å; L1520-K1522 VanDerWaalsContact C-N 3.32Å; L1520-K1522 PolarHBondContact O-N 2.83Å; K1522-N1526 PolarHBondContact O-N 3.13Å
1523Y60.2Low56.5Low155 Ų15582.5 Ų82.561%0.60840%0.402SS*.Hα-helixtrans-74.7-44.9179.6-164.3-95000111.3K1519 L1520 S1521 L1525 N1526 N1529K1519-Y1523 WeakPolarHBondContact O-CB 3.42Å; K1519-Y1523 PolarHBondContact O-N 3.27Å; L1520-Y1523 WeakPolarHBondContact O-CA 3.49Å; L1520-Y1523 WeakPolarHBondContact O-CB 3.41Å; L1520-Y1523 PolarHBondContact O-N 3.25Å; S1521-Y1523 VanDerWaalsContact C-N 3.33Å; Y1523-L1525 VanDerWaalsContact C-N 3.32Å; Y1523-L1525 PolarHBondContact O-N 3.1Å; Y1523-N1526 VanDerWaalsContact O-CB 3.29Å; Y1523-N1526 WeakPolarHBondContact O-CB 3.29Å; Y1523-N1526 PolarHBondContact O-N 2.71Å; Y1523-N1529 PolarHBondContact O-ND2 3.16Å
1524L53.5Low56.7Low67 Ų6780 Ų8035%0.35139%0.393SS..Hα-helixtrans-66.1-31.8173.5-67.1169.8000112.4L1520 N1526 I1532L1520-L1524 HydrophobicContact CD2-CD1 3.77Å; L1520-L1524 HydrophobicContact CG-CD1 4.05Å; L1520-L1524 HydrophobicContact CG-CG 4.39Å; L1520-L1524 WeakPolarHBondContact O-CG 3.31Å; L1520-L1524 PolarHBondContact O-N 3.5Å; L1524-N1526 VanDerWaalsContact C-N 3.27Å; L1524-N1526 PolarHBondContact O-N 3.37Å; L1524-I1532 HydrophobicContact CB-CD1 4.02Å; L1524-I1532 HydrophobicContact CD2-CD1 4.05Å; L1524-I1532 WeakPolarHBondContact O-CD1 3.39Å
1525L53.6Low56.8Low37 Ų3777.7 Ų77.719%0.19439%0.387CS..THydrogen-bonded Turntrans-78-4.5173.6-77.4167.3000114.5S1521 Y1523 S1527 I1559 T1560 Q1563S1521-L1525 VanDerWaalsContact O-CB 3.26Å; S1521-L1525 WeakPolarHBondContact O-CB 3.47Å; S1521-L1525 WeakPolarHBondContact O-CD1 3.35Å; S1521-L1525 VanDerWaalsContact O-CG 3.24Å; S1521-L1525 WeakPolarHBondContact O-CG 3.38Å; S1521-L1525 PolarHBondContact O-N 2.79Å; Y1523-L1525 VanDerWaalsContact C-N 3.32Å; Y1523-L1525 PolarHBondContact O-N 3.1Å; L1525-S1527 PolarHBondContact O-N 3.3Å; L1525-I1559 HydrophobicContact CD1-CG2 4.28Å; L1525-I1559 HydrophobicContact CD2-CB 4.4Å; L1525-I1559 HydrophobicContact CD2-CG2 3.59Å; L1525-I1559 HydrophobicContact CG-CG2 3.61Å; L1525-T1560 HydrophobicContact CD2-CG2 4.26Å; L1525-Q1563 HydrophobicContact CD1-CB 4Å; L1525-Q1563 HydrophobicContact CD1-CG 3.83Å; L1525-Q1563 VanDerWaalsContact CD1-NE2 3.31Å
1526N57.1Low57.4Low86 Ų8675.3 Ų75.346%0.4637%0.371SS..SBendtrans-76.8119.9175.5-163.313.9000109.2K1522 Y1523 L1524 N1528 N1529K1522-N1526 PolarHBondContact O-N 3.13Å; Y1523-N1526 VanDerWaalsContact O-CB 3.29Å; Y1523-N1526 WeakPolarHBondContact O-CB 3.29Å; Y1523-N1526 PolarHBondContact O-N 2.71Å; L1524-N1526 VanDerWaalsContact C-N 3.27Å; L1524-N1526 PolarHBondContact O-N 3.37Å; N1526-N1528 PolarHBondContact O-N 3.24Å; N1526-N1529 PolarHBondContact O-N 3.31Å
1527S52Low57.9Low63 Ų6375 Ų7544%0.44137%0.365SS..THydrogen-bonded Turntrans-54.4-23.4-168.946.10000115.4W513 L1525 N1529W513-S1527 WeakPolarHBondContact CZ3-OG 3.3Å; L1525-S1527 PolarHBondContact O-N 3.3Å; S1527-N1529 VanDerWaalsContact C-N 3.26Å; S1527-N1529 PolarHBondContact O-N 3.25Å
1528N52Low58.4Low137 Ų13779.9 Ų79.973%0.73339%0.389SS*.THydrogen-bonded Turntrans-85.11.7-170.9-57.78.3000112.6N1526 L1530N1526-N1528 PolarHBondContact O-N 3.24Å; N1528-L1530 PolarHBondContact O-N 3.49Å; N1528-L1530 VanDerWaalsContact O-N 3.13Å
1529N55.8Low59Low45 Ų4576.8 Ų76.824%0.24138%0.378CS..  trans-76.697.6176.2-104.7-45.3000111.4Y1523 N1526 S1527 F1531 I1532Y1523-N1529 PolarHBondContact O-ND2 3.16Å; N1526-N1529 PolarHBondContact O-N 3.31Å; S1527-N1529 VanDerWaalsContact C-N 3.26Å; S1527-N1529 PolarHBondContact O-N 3.25Å; N1529-F1531 PolarHBondContact O-N 3.39Å; N1529-I1532 PolarHBondContact O-N 2.95Å
1530L54.7Low59.4Low139 Ų13971.4 Ų71.473%0.72836%0.356SS*.Hα-helixtrans-46.9-35.8-177.5-164.477.3000113.6N1528 Y1533 S1534N1528-L1530 PolarHBondContact O-N 3.49Å; N1528-L1530 VanDerWaalsContact O-N 3.13Å; L1530-Y1533 PolarHBondContact O-N 3.48Å; L1530-S1534 VanDerWaalsContact O-CB 3.25Å; L1530-S1534 WeakPolarHBondContact O-CB 3.46Å; L1530-S1534 PolarHBondContact O-N 2.67Å; L1530-S1534 PolarHBondContact O-OG 3.42Å
1531F60.1Low59.6Low143 Ų14372.5 Ų72.563%0.62736%0.361SS*.Hα-helixtrans-57-54.4-177.9-172.4-108000113N1529 S1534 L1535N1529-F1531 PolarHBondContact O-N 3.39Å; F1531-S1534 PolarHBondContact O-N 2.94Å; F1531-S1534 PolarHBondContact O-OG 3.11Å; F1531-L1535 HydrophobicContact CD1-CD1 3.89Å; F1531-L1535 HydrophobicContact CE1-CD1 3.57Å; F1531-L1535 HydrophobicContact CE2-CD1 4.49Å; F1531-L1535 HydrophobicContact CG-CD1 4.48Å; F1531-L1535 HydrophobicContact CZ-CD1 3.9Å; F1531-L1535 WeakPolarHBondContact O-CG 3.44Å; F1531-L1535 PolarHBondContact O-N 3.01Å
1532I59.6Low59.8Low32 Ų3277 Ų7716%0.16438%0.378CS..Hα-helixtrans-69.9-40.5-177.5-67.3161000110.6L1524 N1529 S1534 L1535 T1536 W1555 I1559L1524-I1532 HydrophobicContact CB-CD1 4.02Å; L1524-I1532 HydrophobicContact CD2-CD1 4.05Å; L1524-I1532 WeakPolarHBondContact O-CD1 3.39Å; N1529-I1532 PolarHBondContact O-N 2.95Å; I1532-S1534 VanDerWaalsContact C-N 3.33Å; I1532-S1534 PolarHBondContact O-N 3.36Å; I1532-L1535 PolarHBondContact O-N 2.92Å; I1532-T1536 PolarHBondContact O-N 2.91Å; I1532-T1536 PolarHBondContact O-OG1 3.29Å; I1532-W1555 HydrophobicContact CG2-CB 4.49Å; I1532-I1559 HydrophobicContact CD1-CD1 3.62Å; I1532-I1559 HydrophobicContact CG1-CD1 4.29Å
1533Y61.9Low59.9Low129 Ų12975.5 Ų75.551%0.50638%0.376SS..Hα-helixtrans-60.6-43.1176.1-172.9-103.2000111.7L1530 T1536 N1537L1530-Y1533 PolarHBondContact O-N 3.48Å; Y1533-T1536 PolarHBondContact O-N 2.71Å; Y1533-T1536 PolarHBondContact O-OG1 3.14Å; Y1533-N1537 VanDerWaalsContact CE1-ND2 3.34Å; Y1533-N1537 WeakPolarHBondContact CE1-ND2 3.41Å; Y1533-N1537 PolarHBondContact O-N 2.89Å
1534S62.3Low59.6Low47 Ų4776.4 Ų76.433%0.32939%0.39SS..Hα-helixtrans-64.9-39.5175.973.80000112.3L1530 F1531 I1532 N1537 M1538L1530-S1534 VanDerWaalsContact O-CB 3.25Å; L1530-S1534 WeakPolarHBondContact O-CB 3.46Å; L1530-S1534 PolarHBondContact O-N 2.67Å; L1530-S1534 PolarHBondContact O-OG 3.42Å; F1531-S1534 PolarHBondContact O-N 2.94Å; F1531-S1534 PolarHBondContact O-OG 3.11Å; I1532-S1534 VanDerWaalsContact C-N 3.33Å; I1532-S1534 PolarHBondContact O-N 3.36Å; S1534-N1537 PolarHBondContact O-N 3.13Å; S1534-M1538 WeakPolarHBondContact O-CB 3.06Å; S1534-M1538 WeakPolarHBondContact O-CG 3.23Å; S1534-M1538 PolarHBondContact O-N 3.41Å
1535L62.6Low59.6Low46 Ų4681.3 Ų81.324%0.24141%0.411CS..Hα-helixtrans-62.6-47.4174.5-77.7166.3000111.5F1531 I1532 N1537 M1538 T1539F1531-L1535 HydrophobicContact CD1-CD1 3.89Å; F1531-L1535 HydrophobicContact CE1-CD1 3.57Å; F1531-L1535 HydrophobicContact CE2-CD1 4.49Å; F1531-L1535 HydrophobicContact CG-CD1 4.48Å; F1531-L1535 HydrophobicContact CZ-CD1 3.9Å; F1531-L1535 WeakPolarHBondContact O-CG 3.44Å; F1531-L1535 PolarHBondContact O-N 3.01Å; I1532-L1535 PolarHBondContact O-N 2.92Å; L1535-N1537 VanDerWaalsContact C-N 3.27Å; L1535-N1537 PolarHBondContact O-N 3.26Å; L1535-M1538 PolarHBondContact O-N 2.92Å; L1535-T1539 PolarHBondContact O-N 3.12Å; L1535-T1539 VanDerWaalsContact O-N 3.14Å; L1535-T1539 PolarHBondContact O-OG1 3.19Å; L1535-T1539 VanDerWaalsContact O-OG1 3.04Å
1536T65.2Low59.8Low9 Ų981.9 Ų81.96%0.05543%0.426CS..Hα-helixtrans-64.5-29.3178.652.30000113.7I1532 Y1533 S1540 W1555I1532-T1536 PolarHBondContact O-N 2.91Å; I1532-T1536 PolarHBondContact O-OG1 3.29Å; Y1533-T1536 PolarHBondContact O-N 2.71Å; Y1533-T1536 PolarHBondContact O-OG1 3.14Å; T1536-S1540 WeakPolarHBondContact O-CB 3.43Å; T1536-S1540 PolarHBondContact O-N 3.04Å; T1536-S1540 VanDerWaalsContact O-N 3.17Å; T1536-S1540 PolarHBondContact O-OG 2.92Å; T1536-W1555 HydrophobicContact CG2-CB 3.87Å; T1536-W1555 HydrophobicContact CG2-CG 4.41Å
1537N65.8Low59.7Low47 Ų4783.2 Ų83.225%0.25143%0.434SS..Hα-helixtrans-84.1-23.2176.6-71.88.5000112.7Y1533 S1534 L1535 S1540Y1533-N1537 VanDerWaalsContact CE1-ND2 3.34Å; Y1533-N1537 WeakPolarHBondContact CE1-ND2 3.41Å; Y1533-N1537 PolarHBondContact O-N 2.89Å; S1534-N1537 PolarHBondContact O-N 3.13Å; L1535-N1537 VanDerWaalsContact C-N 3.27Å; L1535-N1537 PolarHBondContact O-N 3.26Å; N1537-S1540 PolarHBondContact O-OG 2.91Å
1538M64.6Low59.9Low119 Ų11984 Ų8459%0.58643%0.433SS*.Hα-helixtrans-74.8-26.7172-73.4-96.5-158.700112.6S1534 L1535S1534-M1538 WeakPolarHBondContact O-CB 3.06Å; S1534-M1538 WeakPolarHBondContact O-CG 3.23Å; S1534-M1538 PolarHBondContact O-N 3.41Å; L1535-M1538 PolarHBondContact O-N 2.92Å
1539T67.2Low60.3Low9 Ų982 Ų826%0.05542%0.42CS..Hα-helixtrans-105.5-10-178.7530000114.9I300 L1535 D1552I300-T1539 WeakPolarHBondContact CD1-O 3.37Å; L1535-T1539 PolarHBondContact O-N 3.12Å; L1535-T1539 VanDerWaalsContact O-N 3.14Å; L1535-T1539 PolarHBondContact O-OG1 3.19Å; L1535-T1539 VanDerWaalsContact O-OG1 3.04Å; T1539-D1552 VanDerWaalsContact CB-OD2 3.29Å; T1539-D1552 WeakPolarHBondContact CB-OD2 3.4Å; T1539-D1552 WeakPolarHBondContact OG1-CB 3.12Å; T1539-D1552 PolarHBondContact OG1-OD2 3.48Å
1540S65.9Low60.6Low9 Ų984.7 Ų84.76%0.06343%0.433CS..SBendtrans-70.1142.2172.655.50000112.5T1536 N1537 Y1542T1536-S1540 WeakPolarHBondContact O-CB 3.43Å; T1536-S1540 PolarHBondContact O-N 3.04Å; T1536-S1540 VanDerWaalsContact O-N 3.17Å; T1536-S1540 PolarHBondContact O-OG 2.92Å; N1537-S1540 PolarHBondContact O-OG 2.91Å; S1540-Y1542 WeakPolarHBondContact O-CD2 3.11Å; S1540-Y1542 WeakPolarHBondContact O-CE2 3.49Å; S1540-Y1542 WeakPolarHBondContact OG-CE2 3.16Å; S1540-Y1542 VanDerWaalsContact OG-CZ 3.32Å; S1540-Y1542 PolarHBondContact OG-OH 2.97Å
1541I62.1Low61.1Low74 Ų7482.9 Ų82.938%0.37942%0.419SS..EExtended strand (participates in β ladder)trans-90128-179.9-57.6176.3000109.8I300 I1549 M1550I300-I1541 HydrophobicContact CD1-CD1 4.26Å; I300-I1541 HydrophobicContact CD1-CG1 3.87Å; I1541-I1549 HydrophobicContact CG2-CD1 4.15Å; I1541-I1549 PolarHBondContact O-N 3.02Å; I1541-M1550 PolarHBondContact N-O 3.47Å; I1541-M1550 VanDerWaalsContact N-O 3.08Å; I1541-M1550 PolarHBondContact O-N 3.34Å
1542Y63.2Low61.6Low100 Ų10076.2 Ų76.239%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-112.3147.5175.2-58.4-93.2000110.9S1540 G1546 N1547 L1548S1540-Y1542 WeakPolarHBondContact O-CD2 3.11Å; S1540-Y1542 WeakPolarHBondContact O-CE2 3.49Å; S1540-Y1542 WeakPolarHBondContact OG-CE2 3.16Å; S1540-Y1542 VanDerWaalsContact OG-CZ 3.32Å; S1540-Y1542 PolarHBondContact OG-OH 2.97Å; Y1542-G1546 WeakPolarHBondContact CD1-O 3.35Å; Y1542-N1547 CarbonylContact C-O 3.54Å; Y1542-N1547 VanDerWaalsContact CA-O 3.25Å; Y1542-N1547 WeakPolarHBondContact CA-O 3.45Å; Y1542-L1548 HydrophobicContact CD1-CB 3.82Å; Y1542-L1548 HydrophobicContact CD1-CG 4.04Å; Y1542-L1548 HydrophobicContact CE1-CB 3.75Å; Y1542-L1548 HydrophobicContact CE1-CD1 3.73Å; Y1542-L1548 HydrophobicContact CE1-CG 3.67Å
1543D59Low62.3Low92 Ų9277 Ų7749%0.49240%0.397SS..  trans-72.5169.7172.7-116.1-40.3000112.1H1545 G1546 N1547 I1549D1543-H1545 PolarHBondContact O-N 3.32Å; D1543-G1546 PolarHBondContact O-N 2.91Å; D1543-N1547 PolarHBondContact N-O 2.97Å; D1543-I1549 HydrophobicContact CB-CD1 3.98Å; D1543-I1549 HydrophobicContact CB-CG1 4.01Å; D1543-I1549 VanDerWaalsContact CG-CD1 3.49Å
1544L53.8Low63.1Low174 Ų17471.5 Ų71.591%0.91138%0.375SS*.THydrogen-bonded Turntrans-56-16.9173.9-84.1160.6000114.4
1545H52.9Low63.7Low170 Ų17072.8 Ų72.879%0.78737%0.373SS*.THydrogen-bonded Turntrans-100.17.9174.8-66.5-58.7000114.5D1543 N1547D1543-H1545 PolarHBondContact O-N 3.32Å; H1545-N1547 VanDerWaalsContact C-N 3.26Å; H1545-N1547 PolarHBondContact O-N 3.34Å
1546G58.3Low64.2Low50 Ų5071 Ų7152%0.51537%0.365SS..SBendtrans76.46.7-17900000114.9Y1542 D1543Y1542-G1546 WeakPolarHBondContact CD1-O 3.35Å; D1543-G1546 PolarHBondContact O-N 2.91Å
1547N55.5Low64.8Low114 Ų11472.6 Ų72.661%0.6137%0.373SS*.  trans-75.9136.9173.4-73.4-28.4000110.6Y1542 D1543 H1545 I1549Y1542-N1547 CarbonylContact C-O 3.54Å; Y1542-N1547 VanDerWaalsContact CA-O 3.25Å; Y1542-N1547 WeakPolarHBondContact CA-O 3.45Å; D1543-N1547 PolarHBondContact N-O 2.97Å; H1545-N1547 VanDerWaalsContact C-N 3.26Å; H1545-N1547 PolarHBondContact O-N 3.34Å; N1547-I1549 PolarHBondContact O-N 3.13Å
1548L55.5Low65.4Low80 Ų8072.4 Ų72.442%0.41937%0.371SS..EExtended strand (participates in β ladder)trans-84.3105.5-172.2-162.7165.6000110.3Y1542 M1550 K1551Y1542-L1548 HydrophobicContact CD1-CB 3.82Å; Y1542-L1548 HydrophobicContact CD1-CG 4.04Å; Y1542-L1548 HydrophobicContact CE1-CB 3.75Å; Y1542-L1548 HydrophobicContact CE1-CD1 3.73Å; Y1542-L1548 HydrophobicContact CE1-CG 3.67Å; L1548-M1550 VanDerWaalsContact CD2-C 3.45Å; L1548-K1551 HydrophobicContact CD2-CB 3.78Å; L1548-K1551 VanDerWaalsContact CD2-N 3.29Å
1549I60.8Low65.8Low93 Ų9367.9 Ų67.948%0.47735%0.349SS..EExtended strand (participates in β ladder)trans-76.9-49.1-173.7-44.2177.6000111.2I1541 D1543 N1547I1541-I1549 HydrophobicContact CG2-CD1 4.15Å; I1541-I1549 PolarHBondContact O-N 3.02Å; D1543-I1549 HydrophobicContact CB-CD1 3.98Å; D1543-I1549 HydrophobicContact CB-CG1 4.01Å; D1543-I1549 VanDerWaalsContact CG-CD1 3.49Å; N1547-I1549 PolarHBondContact O-N 3.13Å
1550M60.8Low66.1Low103 Ų10368.1 Ų68.151%0.50735%0.351SS..EExtended strand (participates in β ladder)trans-138.5124.2173.9-72.1-165.980.200109.8Q296 I1541 L1548Q296-M1550 PolarHBondContact NE2-SD 3.2Å; I1541-M1550 PolarHBondContact N-O 3.47Å; I1541-M1550 VanDerWaalsContact N-O 3.08Å; I1541-M1550 PolarHBondContact O-N 3.34Å; L1548-M1550 VanDerWaalsContact CD2-C 3.45Å
1551K66.1Low66.9Low101 Ų10168 Ų6844%0.43935%0.349SS..  trans-78.2130.4171-167.9173.5-176176.60108.7L1548 T1553L1548-K1551 HydrophobicContact CD2-CB 3.78Å; L1548-K1551 VanDerWaalsContact CD2-N 3.29Å; K1551-T1553 PolarHBondContact O-N 3.09Å; K1551-T1553 VanDerWaalsContact O-N 3.1Å
1552D69.6Low67.5Low3 Ų366.9 Ų66.92%0.01634%0.343CS..  trans-74104.4173.8179.827000110.2Q292 T297 T1539 F1554Q292-D1552 PolarHBondContact NE2-OD1 2.93Å; T297-D1552 VanDerWaalsContact CG2-CG 3.49Å; T297-D1552 WeakPolarHBondContact CG2-OD1 3.24Å; T297-D1552 WeakPolarHBondContact CG2-OD2 3.21Å; T1539-D1552 VanDerWaalsContact CB-OD2 3.29Å; T1539-D1552 WeakPolarHBondContact CB-OD2 3.4Å; T1539-D1552 WeakPolarHBondContact OG1-CB 3.12Å; T1539-D1552 PolarHBondContact OG1-OD2 3.48Å; D1552-F1554 VanDerWaalsContact C-N 3.34Å; D1552-F1554 WeakPolarHBondContact OD1-CB 3.49Å; D1552-F1554 PolarHBondContact OD1-N 2.77Å
1553T75Confident68Low49 Ų4963.9 Ų63.930%0.30133%0.333SS..  trans-86.5-0.4174.267.20000113Q292 K1551 W1555 S1556 D1557Q292-T1553 VanDerWaalsContact NE2-N 3.18Å; Q292-T1553 PolarHBondContact NE2-OG1 3.42Å; Q292-T1553 PolarHBondContact OE1-OG1 3.14Å; K1551-T1553 PolarHBondContact O-N 3.09Å; K1551-T1553 VanDerWaalsContact O-N 3.1Å; T1553-W1555 PolarHBondContact O-N 2.81Å; T1553-W1555 VanDerWaalsContact O-N 3.14Å; T1553-S1556 WeakPolarHBondContact CA-OG 3.41Å; T1553-S1556 WeakPolarHBondContact CB-OG 3.34Å; T1553-S1556 PolarHBondContact O-N 2.89Å; T1553-S1556 PolarHBondContact O-OG 3.41Å; T1553-D1557 WeakPolarHBondContact CB-OD2 3.4Å; T1553-D1557 VanDerWaalsContact O-CB 3.28Å; T1553-D1557 WeakPolarHBondContact O-CB 3.26Å; T1553-D1557 PolarHBondContact O-N 3.46Å; T1553-D1557 PolarHBondContact OG1-OD2 3.1Å
1554F79.6Confident68.8Low13 Ų1360.8 Ų60.86%0.05732%0.316CS..Hα-helixtrans-50.8-45.6-179.6168.7-106.1000112.2I289 Q292 Y293 T297 D1552 I1558I289-F1554 HydrophobicContact CG2-CD2 3.61Å; I289-F1554 HydrophobicContact CG2-CE2 3.64Å; I289-F1554 WeakPolarHBondContact O-CD2 3.32Å; Q292-F1554 HydrophobicContact CG-CB 4.48Å; Y293-F1554 HydrophobicContact CD2-CE1 4.04Å; Y293-F1554 HydrophobicContact CD2-CE2 4.08Å; Y293-F1554 AromaticContact CD2-CZ 3.77Å; Y293-F1554 HydrophobicContact CD2-CZ 3.77Å; Y293-F1554 HydrophobicContact CG-CE2 4.21Å; Y293-F1554 HydrophobicContact CG-CZ 4.34Å; T297-F1554 HydrophobicContact CG2-CB 3.82Å; T297-F1554 HydrophobicContact CG2-CD1 4.33Å; T297-F1554 HydrophobicContact CG2-CG 4.16Å; D1552-F1554 VanDerWaalsContact C-N 3.34Å; D1552-F1554 WeakPolarHBondContact OD1-CB 3.49Å; D1552-F1554 PolarHBondContact OD1-N 2.77Å; F1554-I1558 HydrophobicContact CE2-CD1 4.01Å; F1554-I1558 HydrophobicContact CZ-CD1 3.82Å; F1554-I1558 WeakPolarHBondContact O-CB 2.93Å; F1554-I1558 WeakPolarHBondContact O-CG2 3.42Å; F1554-I1558 PolarHBondContact O-N 3.29Å
1555W74.2Confident69.9Low73 Ų7352.5 Ų52.528%0.27727%0.273SS..Hα-helixtrans-72.3-29-179.9-61.3109000114.1I1532 T1536 T1553 I1559I1532-W1555 HydrophobicContact CG2-CB 4.49Å; T1536-W1555 HydrophobicContact CG2-CB 3.87Å; T1536-W1555 HydrophobicContact CG2-CG 4.41Å; T1553-W1555 PolarHBondContact O-N 2.81Å; T1553-W1555 VanDerWaalsContact O-N 3.14Å; W1555-I1559 VanDerWaalsContact O-CD1 3.24Å; W1555-I1559 WeakPolarHBondContact O-CD1 3.33Å; W1555-I1559 WeakPolarHBondContact O-CG1 3.25Å
1556S74Confident71Confident10 Ų1045.1 Ų45.17%0.0724%0.239CC..Hα-helixtrans-74.7-42172.551.90000111.6T1553 I1559 T1560T1553-S1556 WeakPolarHBondContact CA-OG 3.41Å; T1553-S1556 WeakPolarHBondContact CB-OG 3.34Å; T1553-S1556 PolarHBondContact O-N 2.89Å; T1553-S1556 PolarHBondContact O-OG 3.41Å; S1556-I1559 PolarHBondContact O-N 3.29Å; S1556-T1560 WeakPolarHBondContact O-CG2 3.46Å; S1556-T1560 PolarHBondContact O-N 3Å; S1556-T1560 PolarHBondContact O-OG1 2.96Å; S1556-T1560 VanDerWaalsContact O-OG1 3.11Å
1557D76.3Confident71.6Confident42 Ų4244 Ų4423%0.22522%0.223CC..Hα-helixtrans-79.5-34.1-166.7-59.5-2000109.7I289 T1553 T1560 F1561I289-D1557 HydrophobicContact CD1-CB 3.88Å; I289-D1557 WeakPolarHBondContact CD1-O 3.29Å; I289-D1557 HydrophobicContact CG1-CB 3.65Å; T1553-D1557 WeakPolarHBondContact CB-OD2 3.4Å; T1553-D1557 VanDerWaalsContact O-CB 3.28Å; T1553-D1557 WeakPolarHBondContact O-CB 3.26Å; T1553-D1557 PolarHBondContact O-N 3.46Å; T1553-D1557 PolarHBondContact OG1-OD2 3.1Å; D1557-T1560 WeakPolarHBondContact CA-OG1 3.42Å; D1557-T1560 PolarHBondContact O-OG1 3.26Å; D1557-T1560 VanDerWaalsContact O-OG1 3.07Å; D1557-F1561 VanDerWaalsContact O-CB 3.23Å; D1557-F1561 WeakPolarHBondContact O-CB 3.12Å; D1557-F1561 PolarHBondContact O-N 2.97Å
1558I79.8Confident72.5Confident43 Ų4339.5 Ų39.522%0.22120%0.2CC..Hα-helixtrans-66.3-36.8170.7-158.5169.1000112.6I289 F1554 I1562I289-I1558 HydrophobicContact CG2-CB 3.97Å; I289-I1558 HydrophobicContact CG2-CG1 4.28Å; F1554-I1558 HydrophobicContact CE2-CD1 4.01Å; F1554-I1558 HydrophobicContact CZ-CD1 3.82Å; F1554-I1558 WeakPolarHBondContact O-CB 2.93Å; F1554-I1558 WeakPolarHBondContact O-CG2 3.42Å; F1554-I1558 PolarHBondContact O-N 3.29Å; I1558-I1562 HydrophobicContact CG1-CD1 4.32Å; I1558-I1562 WeakPolarHBondContact O-CB 3.44Å; I1558-I1562 WeakPolarHBondContact O-CD1 3.39Å; I1558-I1562 VanDerWaalsContact O-CG1 3.22Å; I1558-I1562 WeakPolarHBondContact O-CG1 3.29Å; I1558-I1562 PolarHBondContact O-N 3.05Å
1559I73.1Confident73.4Confident23 Ų2338.7 Ų38.712%0.11820%0.195CC..Hα-helixtrans-74.6-40.4180-62.7173.9000110.9L1525 I1532 W1555 S1556 I1562 Q1563L1525-I1559 HydrophobicContact CD1-CG2 4.28Å; L1525-I1559 HydrophobicContact CD2-CB 4.4Å; L1525-I1559 HydrophobicContact CD2-CG2 3.59Å; L1525-I1559 HydrophobicContact CG-CG2 3.61Å; I1532-I1559 HydrophobicContact CD1-CD1 3.62Å; I1532-I1559 HydrophobicContact CG1-CD1 4.29Å; W1555-I1559 VanDerWaalsContact O-CD1 3.24Å; W1555-I1559 WeakPolarHBondContact O-CD1 3.33Å; W1555-I1559 WeakPolarHBondContact O-CG1 3.25Å; S1556-I1559 PolarHBondContact O-N 3.29Å; I1559-I1562 PolarHBondContact O-N 3.47Å; I1559-Q1563 PolarHBondContact O-N 3.46Å
1560T73.5Confident74.2Confident14 Ų1434.7 Ų34.79%0.08618%0.175CC..Hα-helixtrans-65.7-39.1173.253.40000111.8L1525 S1556 D1557 I1562 Q1563 L1564L1525-T1560 HydrophobicContact CD2-CG2 4.26Å; S1556-T1560 WeakPolarHBondContact O-CG2 3.46Å; S1556-T1560 PolarHBondContact O-N 3Å; S1556-T1560 PolarHBondContact O-OG1 2.96Å; S1556-T1560 VanDerWaalsContact O-OG1 3.11Å; D1557-T1560 WeakPolarHBondContact CA-OG1 3.42Å; D1557-T1560 PolarHBondContact O-OG1 3.26Å; D1557-T1560 VanDerWaalsContact O-OG1 3.07Å; T1560-I1562 PolarHBondContact O-N 3.29Å; T1560-Q1563 PolarHBondContact O-N 2.93Å; T1560-L1564 PolarHBondContact O-N 3.42Å
1561F82.3Confident75.4Confident7 Ų730.6 Ų30.63%0.03115%0.154CC..Hα-helixtrans-58.1-46.1169.7171-96.8000112.1L82 F83 L282 L285 L286 I289 D1557 Q1563 L1564 S1565L82-F1561 HydrophobicContact CD2-CE2 3.7Å; L82-F1561 HydrophobicContact CD2-CZ 3.87Å; F83-F1561 HydrophobicContact CE1-CE1 4.2Å; F83-F1561 HydrophobicContact CE1-CZ 4.45Å; F83-F1561 AromaticContact CZ-CE1 3.85Å; F83-F1561 HydrophobicContact CZ-CE1 3.85Å; F83-F1561 HydrophobicContact CZ-CZ 4.46Å; L282-F1561 HydrophobicContact CB-CE2 4.29Å; L282-F1561 WeakPolarHBondContact O-CE2 3.3Å; L285-F1561 HydrophobicContact CD2-CB 4.28Å; L286-F1561 HydrophobicContact CB-CD2 4.17Å; L286-F1561 HydrophobicContact CB-CE2 3.77Å; L286-F1561 HydrophobicContact CB-CZ 3.97Å; L286-F1561 HydrophobicContact CD1-CD1 4.25Å; L286-F1561 HydrophobicContact CD1-CE1 3.91Å; L286-F1561 HydrophobicContact CD1-CZ 4.12Å; L286-F1561 HydrophobicContact CD2-CE1 4.37Å; L286-F1561 HydrophobicContact CD2-CE2 4.46Å; L286-F1561 HydrophobicContact CD2-CZ 3.88Å; L286-F1561 HydrophobicContact CG-CE1 4.5Å; L286-F1561 HydrophobicContact CG-CZ 4.21Å; I289-F1561 HydrophobicContact CD1-CB 3.92Å; D1557-F1561 VanDerWaalsContact O-CB 3.23Å; D1557-F1561 WeakPolarHBondContact O-CB 3.12Å; D1557-F1561 PolarHBondContact O-N 2.97Å; F1561-Q1563 VanDerWaalsContact C-N 3.35Å; F1561-Q1563 PolarHBondContact O-N 2.94Å; F1561-L1564 PolarHBondContact O-N 3.12Å; F1561-S1565 WeakPolarHBondContact O-CB 3.21Å; F1561-S1565 PolarHBondContact O-N 3.25Å; F1561-S1565 PolarHBondContact O-OG 2.89Å
1562I75.3Confident76.4Confident51 Ų5126 Ų2626%0.26213%0.134SC..Hα-helixtrans-60.8-42.7175.8-72.5163.3000111I1558 I1559 T1560 L1564 S1565 L1566I1558-I1562 HydrophobicContact CG1-CD1 4.32Å; I1558-I1562 WeakPolarHBondContact O-CB 3.44Å; I1558-I1562 WeakPolarHBondContact O-CD1 3.39Å; I1558-I1562 VanDerWaalsContact O-CG1 3.22Å; I1558-I1562 WeakPolarHBondContact O-CG1 3.29Å; I1558-I1562 PolarHBondContact O-N 3.05Å; I1559-I1562 PolarHBondContact O-N 3.47Å; T1560-I1562 PolarHBondContact O-N 3.29Å; I1562-L1564 VanDerWaalsContact C-N 3.35Å; I1562-L1564 PolarHBondContact O-N 2.86Å; I1562-S1565 WeakPolarHBondContact CA-OG 3.46Å; I1562-S1565 PolarHBondContact O-N 3.22Å; I1562-S1565 PolarHBondContact O-OG 3.19Å; I1562-L1566 HydrophobicContact CG2-CD1 3.95Å; I1562-L1566 HydrophobicContact CG2-CG 4.38Å; I1562-L1566 WeakPolarHBondContact O-CD1 3.44Å; I1562-L1566 VanDerWaalsContact O-CG 3.25Å; I1562-L1566 WeakPolarHBondContact O-CG 3.34Å; I1562-L1566 PolarHBondContact O-N 3.33Å; I1562-L1566 VanDerWaalsContact O-N 3.13Å
1563Q73.2Confident77.4Confident37 Ų3726.9 Ų26.917%0.17314%0.137CC..Hα-helixtrans-63.9-37.5179.7-162.9-165.42800113.1L506 L1525 I1559 T1560 F1561L506-Q1563 VanDerWaalsContact CD2-OE1 3.24Å; L1525-Q1563 HydrophobicContact CD1-CB 4Å; L1525-Q1563 HydrophobicContact CD1-CG 3.83Å; L1525-Q1563 VanDerWaalsContact CD1-NE2 3.31Å; I1559-Q1563 PolarHBondContact O-N 3.46Å; T1560-Q1563 PolarHBondContact O-N 2.93Å; F1561-Q1563 VanDerWaalsContact C-N 3.35Å; F1561-Q1563 PolarHBondContact O-N 2.94Å
1564L74.4Confident78.2Confident26 Ų2624.5 Ų24.514%0.13612%0.123CC..Hα-helixtrans-78.1-26.7177.9-75166.5000113.4L282 R502 I503 L506 T1560 F1561 I1562L282-L1564 HydrophobicContact CD1-CB 4.47Å; L282-L1564 HydrophobicContact CD2-CB 3.78Å; L282-L1564 HydrophobicContact CD2-CD1 3.8Å; L282-L1564 HydrophobicContact CD2-CG 4.39Å; R502-L1564 HydrophobicContact CB-CD2 4.15Å; I503-L1564 HydrophobicContact CG1-CD1 4.31Å; L506-L1564 HydrophobicContact CD1-CD1 3.88Å; L506-L1564 HydrophobicContact CD1-CD2 3.73Å; L506-L1564 HydrophobicContact CD1-CG 3.64Å; T1560-L1564 PolarHBondContact O-N 3.42Å; F1561-L1564 PolarHBondContact O-N 3.12Å; I1562-L1564 VanDerWaalsContact C-N 3.35Å; I1562-L1564 PolarHBondContact O-N 2.86Å
1565S78.4Confident78.8Confident0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-90-13.9-178.952.30000114.4G81 L82 F83 F1561 I1562G81-S1565 CarbonylContact C-O 3.45Å; L82-S1565 PolarHBondContact N-O 3.38Å; F83-S1565 WeakPolarHBondContact CD2-OG 3.39Å; F83-S1565 WeakPolarHBondContact CE2-OG 3.43Å; F83-S1565 PolarHBondContact N-O 3.29Å; F1561-S1565 WeakPolarHBondContact O-CB 3.21Å; F1561-S1565 PolarHBondContact O-N 3.25Å; F1561-S1565 PolarHBondContact O-OG 2.89Å; I1562-S1565 WeakPolarHBondContact CA-OG 3.46Å; I1562-S1565 PolarHBondContact O-N 3.22Å; I1562-S1565 PolarHBondContact O-OG 3.19Å
1566L74.3Confident79.5Confident15 Ų1520.9 Ų20.98%0.07911%0.109CC..SBendtrans-72.9145.3173.7-82.5167000113.4F114 L1517 I1562F114-L1566 HydrophobicContact CD1-CD2 4.05Å; F114-L1566 HydrophobicContact CE1-CD2 3.58Å; F114-L1566 HydrophobicContact CZ-CD2 4.46Å; L1517-L1566 HydrophobicContact CD2-CD1 4.45Å; L1517-L1566 HydrophobicContact CD2-CD2 4.35Å; I1562-L1566 HydrophobicContact CG2-CD1 3.95Å; I1562-L1566 HydrophobicContact CG2-CG 4.38Å; I1562-L1566 WeakPolarHBondContact O-CD1 3.44Å; I1562-L1566 VanDerWaalsContact O-CG 3.25Å; I1562-L1566 WeakPolarHBondContact O-CG 3.34Å; I1562-L1566 PolarHBondContact O-N 3.33Å; I1562-L1566 VanDerWaalsContact O-N 3.13Å
1567P72.6Confident80.2Confident27 Ų2722.1 Ų22.118%0.17512%0.115CC..PPolyproline II helixtrans-69.5155.1-176.127.4-34.9000114.5M80 R1518M80-P1567 HydrophobicContact CG-CB 4.37Å; M80-P1567 VanDerWaalsContact O-CA 3.23Å; M80-P1567 WeakPolarHBondContact O-CA 3.28Å; M80-P1567 WeakPolarHBondContact O-CB 3.46Å; M80-P1567 HydrophobicContact SD-CB 4.46Å; R1518-P1567 PolarHBondContact NH1-O 3.41Å
1568P74.1Confident80.5Confident19 Ų1920.4 Ų20.412%0.12311%0.106CC..PPolyproline II helixtrans-65.1156.2172.125.5-29.4000112.4M80 G534 H1512 S1570M80-P1568 HydrophobicContact SD-CG 4.19Å; G534-P1568 VanDerWaalsContact CA-CG 3.44Å; H1512-P1568 PolarHBondContact CD2-O 3.01Å; P1568-S1570 WeakPolarHBondContact CB-O 3.29Å
1569I73.6Confident80.5Confident63 Ų6319.5 Ų19.532%0.32310%0.1SC..SBendtrans-67.9-39.8-176.4-59.4172.7000111.2V1382 T1511 H1512V1382-I1569 HydrophobicContact CG2-CG2 3.94Å; T1511-I1569 WeakPolarHBondContact CA-O 3.35Å; H1512-I1569 PolarHBondContact N-O 3.47Å
1570S78.2Confident80.8Confident9 Ų918.4 Ų18.46%0.06310%0.095CC..EExtended strand (participates in β ladder)trans-113.1152.6171.851.90000110.9Y1509 H1510 P1568Y1509-S1570 VanDerWaalsContact OH-CB 3.3Å; Y1509-S1570 WeakPolarHBondContact OH-CB 3.09Å; Y1509-S1570 PolarHBondContact OH-OG 2.97Å; H1510-S1570 WeakPolarHBondContact O-CA 3.35Å; P1568-S1570 WeakPolarHBondContact CB-O 3.29Å
1571Y85.9Confident81.1Confident18 Ų1818.9 Ų18.97%0.07110%0.095CC..EExtended strand (participates in β ladder)trans-144.2155.3176.666.6-85.4000111.7M80 I533 G534 Q536 H1510 H1512 R1573M80-Y1571 HydrophobicContact CE-CD2 3.82Å; M80-Y1571 HydrophobicContact CE-CG 3.81Å; M80-Y1571 HydrophobicContact SD-CG 4.34Å; I533-Y1571 VanDerWaalsContact CG2-CA 3.42Å; G534-Y1571 CarbonylContact O-C 3.48Å; G534-Y1571 WeakPolarHBondContact O-CA 3.3Å; G534-Y1571 VanDerWaalsContact O-CB 3.32Å; G534-Y1571 WeakPolarHBondContact O-CB 3.46Å; Q536-Y1571 HydrophobicContact CB-CD2 4.09Å; Q536-Y1571 HydrophobicContact CB-CE2 4.38Å; H1510-Y1571 HydrophobicContact CB-CD1 4.01Å; H1510-Y1571 HydrophobicContact CB-CD2 3.97Å; H1510-Y1571 HydrophobicContact CB-CE1 3.6Å; H1510-Y1571 HydrophobicContact CB-CE2 3.56Å; H1510-Y1571 HydrophobicContact CB-CG 4.2Å; H1510-Y1571 AromaticContact CD2-CZ 3.85Å; H1510-Y1571 PolarHBondContact CD2-OH 3.22Å; H1510-Y1571 AromaticContact CG-CE2 3.99Å; H1510-Y1571 AromaticContact CG-CZ 3.96Å; H1510-Y1571 PolarHBondContact N-O 3.41Å; H1510-Y1571 PolarHBondContact O-N 3.35Å; H1510-Y1571 VanDerWaalsContact O-O 3.14Å; H1512-Y1571 AromaticContact CD2-CD1 3.48Å; H1512-Y1571 VanDerWaalsContact CD2-CD1 3.48Å; H1512-Y1571 WeakPolarHBondContact CD2-CD1 3.26Å; H1512-Y1571 AromaticContact CD2-CE1 3.65Å; H1512-Y1571 AromaticContact CE1-CE1 3.56Å; H1512-Y1571 AromaticContact CG-CE1 3.94Å; H1512-Y1571 AromaticContact ND1-CE1 3.88Å; H1512-Y1571 AromaticContact NE2-CD1 3.37Å; H1512-Y1571 WeakPolarHBondContact NE2-CD1 3.42Å; H1512-Y1571 AromaticContact NE2-CE1 3.4Å; H1512-Y1571 WeakPolarHBondContact NE2-CE1 3.07Å; Y1571-R1573 HydrophobicContact CD2-CB 4.49Å; Y1571-R1573 HydrophobicContact CE2-CB 4.27Å; Y1571-R1573 PolarHBondContact OH-NH2 2.81Å
1572F88Confident81.3Confident4 Ų418.5 Ų18.52%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-99.2128.2166.8-87.6-74.2000110.3I533 G534 K535 Q536 Y1358 Y1389 S1508 Y1509 L1591I533-F1572 HydrophobicContact CB-CD2 4.39Å; I533-F1572 HydrophobicContact CD1-CD2 4.39Å; I533-F1572 HydrophobicContact CD1-CE2 4.06Å; I533-F1572 HydrophobicContact CG2-CD2 3.69Å; I533-F1572 HydrophobicContact CG2-CE2 4.36Å; I533-F1572 HydrophobicContact CG2-CG 4.5Å; G534-F1572 PolarHBondContact O-N 3.14Å; K535-F1572 WeakPolarHBondContact CA-O 3.46Å; Q536-F1572 PolarHBondContact N-O 3.33Å; Y1358-F1572 HydrophobicContact CE2-CE1 4.27Å; Y1389-F1572 AromaticContact CD1-CE2 3.61Å; Y1389-F1572 HydrophobicContact CD1-CE2 3.61Å; Y1389-F1572 AromaticContact CD1-CZ 3.47Å; Y1389-F1572 HydrophobicContact CD1-CZ 3.47Å; Y1389-F1572 VanDerWaalsContact CD1-CZ 3.47Å; Y1389-F1572 HydrophobicContact CD2-CE2 4Å; Y1389-F1572 HydrophobicContact CD2-CZ 4.07Å; Y1389-F1572 AromaticContact CE1-CE2 3.52Å; Y1389-F1572 HydrophobicContact CE1-CE2 3.52Å; Y1389-F1572 AromaticContact CE1-CZ 3.91Å; Y1389-F1572 HydrophobicContact CE1-CZ 3.91Å; Y1389-F1572 AromaticContact CE2-CE2 3.97Å; Y1389-F1572 HydrophobicContact CE2-CE2 3.97Å; Y1389-F1572 HydrophobicContact CE2-CZ 4.49Å; Y1389-F1572 AromaticContact CG-CE2 3.86Å; Y1389-F1572 HydrophobicContact CG-CE2 3.86Å; Y1389-F1572 AromaticContact CG-CZ 3.57Å; Y1389-F1572 HydrophobicContact CG-CZ 3.57Å; Y1389-F1572 AromaticContact CZ-CE2 3.72Å; S1508-F1572 WeakPolarHBondContact O-CA 3.41Å; Y1509-F1572 HydrophobicContact CD2-CD1 4.5Å; Y1509-F1572 AromaticContact CD2-CE1 3.94Å; Y1509-F1572 HydrophobicContact CD2-CE1 3.94Å; Y1509-F1572 HydrophobicContact CD2-CE2 4Å; Y1509-F1572 AromaticContact CD2-CZ 3.67Å; Y1509-F1572 HydrophobicContact CD2-CZ 3.67Å; Y1509-F1572 HydrophobicContact CE2-CE2 4.48Å; Y1509-F1572 HydrophobicContact CE2-CZ 4.47Å; Y1509-F1572 HydrophobicContact CG-CE1 4.49Å; F1572-L1591 HydrophobicContact CB-CD1 3.54Å; F1572-L1591 HydrophobicContact CD1-CD1 4.02Å; F1572-L1591 HydrophobicContact CD2-CD1 3.96Å; F1572-L1591 HydrophobicContact CG-CD1 3.59Å
1573R89.6Confident81.9Confident21 Ų2116.1 Ų16.18%0.0798%0.081CC..EExtended strand (participates in β ladder)trans-99111.6169172.1-177.4-68.4171-5.9108.7Q536 K538 S1508 H1510 Y1571Q536-R1573 HydrophobicContact CB-CB 4.44Å; Q536-R1573 CarbonylContact O-C 3.52Å; Q536-R1573 WeakPolarHBondContact O-CA 3.49Å; K538-R1573 HydrophobicContact CB-CG 3.82Å; K538-R1573 HydrophobicContact CG-CG 4.5Å; S1508-R1573 PolarHBondContact N-O 2.78Å; S1508-R1573 PolarHBondContact O-N 3.4Å; S1508-R1573 WeakPolarHBondContact OG-CB 3.37Å; S1508-R1573 PolarHBondContact OG-O 2.04Å; H1510-R1573 PolarHBondContact CD2-NH1 2.83Å; H1510-R1573 PolarHBondContact NE2-NH1 2.76Å; Y1571-R1573 HydrophobicContact CD2-CB 4.49Å; Y1571-R1573 HydrophobicContact CE2-CB 4.27Å; Y1571-R1573 PolarHBondContact OH-NH2 2.81Å
1574I91.7Very high82.6Confident0 Ų014.4 Ų14.40%07%0.073CC..EExtended strand (participates in β ladder)trans-85112.2175.4-59.7160.6000107.3Q536 M537 K538 L1507 L1588 L1591Q536-I1574 PolarHBondContact O-N 2.96Å; M537-I1574 HydrophobicContact CE-CB 4.38Å; M537-I1574 HydrophobicContact CE-CD1 3.76Å; M537-I1574 HydrophobicContact CE-CG2 4.24Å; M537-I1574 HydrophobicContact SD-CB 3.84Å; M537-I1574 HydrophobicContact SD-CD1 4.25Å; M537-I1574 HydrophobicContact SD-CG2 3.84Å; K538-I1574 PolarHBondContact N-O 2.96Å; L1507-I1574 HydrophobicContact CD2-CB 4.25Å; L1507-I1574 HydrophobicContact CD2-CG1 3.71Å; L1507-I1574 HydrophobicContact CD2-CG2 4.23Å; I1574-L1588 HydrophobicContact CD1-CB 4.14Å; I1574-L1588 HydrophobicContact CD1-CD1 3.67Å; I1574-L1591 HydrophobicContact CD1-CD1 4.44Å; I1574-L1591 HydrophobicContact CG1-CD1 4.19Å
1575W91.7Very high83.2Confident9 Ų913.2 Ų13.23%0.0347%0.067CC..EExtended strand (participates in β ladder)trans-85130.1171.6-66.690.4000109.2K538 F540 F1357 V1488 L1492 G1505 G1506 S1508K538-W1575 HydrophobicContact CB-CD2 4.3Å; K538-W1575 HydrophobicContact CB-CE3 4.12Å; K538-W1575 HydrophobicContact CB-CZ3 4.44Å; K538-W1575 HydrophobicContact CD-CZ3 4.24Å; K538-W1575 HydrophobicContact CG-CD2 4Å; K538-W1575 HydrophobicContact CG-CE3 3.45Å; K538-W1575 VanDerWaalsContact CG-CE3 3.45Å; K538-W1575 HydrophobicContact CG-CH2 3.78Å; K538-W1575 HydrophobicContact CG-CZ2 4.28Å; K538-W1575 HydrophobicContact CG-CZ3 3.33Å; K538-W1575 CarbonylContact O-C 3.48Å; K538-W1575 WeakPolarHBondContact O-CA 3.35Å; F540-W1575 HydrophobicContact CD1-CB 4.07Å; F540-W1575 HydrophobicContact CE1-CB 3.79Å; F1357-W1575 HydrophobicContact CE2-CB 4.27Å; F1357-W1575 AromaticContact CE2-CD1 3.89Å; F1357-W1575 HydrophobicContact CE2-CG 4.15Å; F1357-W1575 HydrophobicContact CZ-CB 3.62Å; F1357-W1575 AromaticContact CZ-CG 3.85Å; F1357-W1575 HydrophobicContact CZ-CG 3.85Å; V1488-W1575 HydrophobicContact CB-CZ2 4.43Å; V1488-W1575 HydrophobicContact CG1-CD2 4.06Å; V1488-W1575 HydrophobicContact CG1-CG 4.44Å; V1488-W1575 HydrophobicContact CG1-CH2 4.48Å; V1488-W1575 HydrophobicContact CG1-CZ2 3.95Å; L1492-W1575 HydrophobicContact CD1-CE3 4.15Å; G1505-W1575 CarbonylContact C-O 3.12Å; G1505-W1575 WeakPolarHBondContact CA-O 3.36Å; G1506-W1575 PolarHBondContact N-O 2.79Å; G1506-W1575 PolarHBondContact O-N 2.78Å; S1508-W1575 PolarHBondContact OG-NE1 3.37Å
1576F90.6Very high83.7Confident1 Ų113.2 Ų13.20%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-142.8150.2178.871.6-75.4000112.9L477 M537 K538 F539 F540 N1578L477-F1576 HydrophobicContact CD1-CE2 4.31Å; L477-F1576 HydrophobicContact CD1-CZ 4.03Å; L477-F1576 HydrophobicContact CD2-CE2 4.47Å; L477-F1576 HydrophobicContact CD2-CZ 3.84Å; L477-F1576 HydrophobicContact CG-CZ 4.5Å; M537-F1576 HydrophobicContact CB-CE1 3.97Å; M537-F1576 HydrophobicContact SD-CD1 3.84Å; M537-F1576 HydrophobicContact SD-CE1 3.97Å; K538-F1576 VanDerWaalsContact O-CD1 3.23Å; K538-F1576 WeakPolarHBondContact O-CD1 3.44Å; K538-F1576 PolarHBondContact O-N 3.29Å; F539-F1576 CarbonylContact C-O 3.53Å; F539-F1576 WeakPolarHBondContact CA-O 3.42Å; F539-F1576 HydrophobicContact CD1-CE2 4.49Å; F539-F1576 HydrophobicContact CD1-CZ 4.43Å; F539-F1576 HydrophobicContact CD2-CE1 4.39Å; F539-F1576 AromaticContact CD2-CZ 3.96Å; F539-F1576 HydrophobicContact CD2-CZ 3.96Å; F539-F1576 HydrophobicContact CE1-CE2 4.39Å; F539-F1576 HydrophobicContact CE1-CZ 4.42Å; F539-F1576 AromaticContact CE2-CZ 3.93Å; F539-F1576 HydrophobicContact CE2-CZ 3.93Å; F539-F1576 HydrophobicContact CG-CZ 4.22Å; F539-F1576 HydrophobicContact CZ-CE2 4.46Å; F539-F1576 HydrophobicContact CZ-CZ 4.17Å; F540-F1576 PolarHBondContact N-O 2.94Å; F1576-N1578 HydrophobicContact CD2-CB 4.27Å; F1576-N1578 HydrophobicContact CE2-CB 3.92Å
1577N87.2Confident84.4Confident35 Ų3512.5 Ų12.519%0.1876%0.063CC..  trans-106.198.5175.6-175.9-5.3000109.7F540 Y1504 K1579 G1580 S1583F540-N1577 HydrophobicContact CB-CB 4.45Å; F540-N1577 HydrophobicContact CD1-CB 4.48Å; F540-N1577 HydrophobicContact CD2-CB 3.69Å; F540-N1577 HydrophobicContact CE2-CB 3.93Å; F540-N1577 HydrophobicContact CG-CB 3.97Å; F540-N1577 HydrophobicContact CZ-CB 4.44Å; Y1504-N1577 HydrophobicContact CD1-CB 4.44Å; Y1504-N1577 PolarHBondContact O-N 3.35Å; N1577-K1579 PolarHBondContact O-N 2.78Å; N1577-K1579 WeakPolarHBondContact OD1-CB 3.24Å; N1577-K1579 WeakPolarHBondContact OD1-CG 3.48Å; N1577-K1579 PolarHBondContact OD1-N 3.39Å; N1577-G1580 PolarHBondContact O-N 3.34Å; N1577-S1583 PolarHBondContact O-OG 3.37Å
1578N83.5Confident85.2Confident7 Ų711.2 Ų11.24%0.0376%0.055CC..THydrogen-bonded Turntrans-60-9.1-174.2-160.746.8000114.8R466 D473 F539 F1576 G1580R466-N1578 HydrophobicContact CB-CB 4.36Å; R466-N1578 WeakPolarHBondContact CD-O 3.29Å; R466-N1578 PolarHBondContact O-ND2 3.48Å; D473-N1578 PolarHBondContact O-ND2 3.37Å; F539-N1578 HydrophobicContact CD1-CB 4.08Å; F539-N1578 HydrophobicContact CE1-CB 3.6Å; F1576-N1578 HydrophobicContact CD2-CB 4.27Å; F1576-N1578 HydrophobicContact CE2-CB 3.92Å; N1578-G1580 CarbonylContact C-O 3.51Å; N1578-G1580 CarbonylContact O-C 3.56Å; N1578-G1580 PolarHBondContact O-N 3.04Å
1579K79.1Confident85.8Confident24 Ų2410.3 Ų10.310%0.1045%0.049CC..THydrogen-bonded Turntrans-64-20.7167.4-59.6-177.9-174-172.60112.8N462 P463 K464 R466 N1577N462-K1579 PolarHBondContact O-NZ 3.23Å; P463-K1579 PolarHBondContact O-NZ 3.46Å; K464-K1579 WeakPolarHBondContact O-CE 3.48Å; K464-K1579 PolarHBondContact O-NZ 3.17Å; R466-K1579 HydrophobicContact CB-CG 4.18Å; N1577-K1579 PolarHBondContact O-N 2.78Å; N1577-K1579 WeakPolarHBondContact OD1-CB 3.24Å; N1577-K1579 WeakPolarHBondContact OD1-CG 3.48Å; N1577-K1579 PolarHBondContact OD1-N 3.39Å
1580G80.6Confident86.3Confident0 Ų07.4 Ų7.40%03%0.034CC..BIsolated β-bridgetrans-91.5117.6157.300000109.3V456 N1577 N1578 V1582 S1583V456-G1580 CarbonylContact O-C 3.6Å; N1577-G1580 PolarHBondContact O-N 3.34Å; N1578-G1580 CarbonylContact C-O 3.51Å; N1578-G1580 CarbonylContact O-C 3.56Å; N1578-G1580 PolarHBondContact O-N 3.04Å; G1580-V1582 PolarHBondContact O-N 2.04Å; G1580-S1583 WeakPolarHBondContact O-CB 3.36Å; G1580-S1583 PolarHBondContact O-N 2.6Å; G1580-S1583 PolarHBondContact O-OG 3.17Å
1581Y80.1Confident86.7Confident23 Ų237.1 Ų7.19%0.093%0.032CC..THydrogen-bonded Turntrans-64.8-39.7-162.2-75.714.9000112.9D449 K455 V456 D458 R466 Y476D449-Y1581 HydrophobicContact CB-CD2 4.04Å; K455-Y1581 HydrophobicContact CD-CE2 3.92Å; K455-Y1581 PolarHBondContact NZ-OH 2.71Å; V456-Y1581 WeakPolarHBondContact O-CB 3.4Å; V456-Y1581 PolarHBondContact O-N 2.68Å; D458-Y1581 VanDerWaalsContact CG-OH 3.32Å; D458-Y1581 PolarHBondContact OD1-OH 3.26Å; D458-Y1581 VanDerWaalsContact OD2-CE1 3.32Å; D458-Y1581 WeakPolarHBondContact OD2-CE1 3.42Å; D458-Y1581 PolarHBondContact OD2-OH 3.35Å; R466-Y1581 VanDerWaalsContact NH1-CD1 3.25Å; Y476-Y1581 WeakPolarHBondContact CD2-O 3.19Å; Y476-Y1581 WeakPolarHBondContact CE2-O 3.43Å
1582V85.4Confident86.7Confident0 Ų06.2 Ų6.20%03%0.029CC..THydrogen-bonded Turntrans-100.719.2174.3-75.70000113.1V456 Y476 M1338 I1340 G1580 P1585 A1586V456-V1582 HydrophobicContact CG1-CG2 3.41Å; V456-V1582 VanDerWaalsContact CG1-CG2 3.41Å; Y476-V1582 HydrophobicContact CE1-CG1 4.14Å; Y476-V1582 HydrophobicContact CE2-CG1 3.95Å; Y476-V1582 WeakPolarHBondContact OH-CG1 3.07Å; M1338-V1582 HydrophobicContact CE-CB 4.38Å; M1338-V1582 HydrophobicContact CE-CG1 3.54Å; M1338-V1582 HydrophobicContact CE-CG2 3.88Å; I1340-V1582 HydrophobicContact CG1-CG1 4.36Å; I1340-V1582 HydrophobicContact CG2-CB 4.47Å; G1580-V1582 PolarHBondContact O-N 2.04Å; V1582-P1585 HydrophobicContact CB-CG 3.99Å; V1582-P1585 HydrophobicContact CG1-CG 4.17Å; V1582-P1585 WeakPolarHBondContact O-CD 3Å; V1582-P1585 WeakPolarHBondContact O-CG 3.46Å; V1582-A1586 WeakPolarHBondContact O-CB 3.23Å; V1582-A1586 PolarHBondContact O-N 3.3Å
1583S87.2Confident86.4Confident0 Ų06.1 Ų6.10%03%0.028CC..Hα-helixtrans-55.9-59.9-18055.50000112.4N1577 G1580 A1586 Y1587N1577-S1583 PolarHBondContact O-OG 3.37Å; G1580-S1583 WeakPolarHBondContact O-CB 3.36Å; G1580-S1583 PolarHBondContact O-N 2.6Å; G1580-S1583 PolarHBondContact O-OG 3.17Å; S1583-A1586 PolarHBondContact O-N 2.65Å; S1583-A1586 VanDerWaalsContact O-N 3.15Å; S1583-Y1587 VanDerWaalsContact O-CD2 3.23Å; S1583-Y1587 WeakPolarHBondContact O-CD2 3.28Å; S1583-Y1587 PolarHBondContact O-N 3.21Å
1584G87.9Confident86Confident1 Ų15.4 Ų5.41%0.013%0.026CC..Hα-helixtrans-47.6-60.3175.400000113.6M537 A1586 Y1587 L1588M537-G1584 WeakPolarHBondContact CE-O 3.42Å; G1584-A1586 VanDerWaalsContact C-N 3.28Å; G1584-A1586 PolarHBondContact O-N 2.89Å; G1584-Y1587 PolarHBondContact O-N 3.2Å; G1584-L1588 WeakPolarHBondContact O-CB 3.25Å; G1584-L1588 PolarHBondContact O-N 3.46Å
1585P88.7Confident85.4Confident2 Ų25.7 Ų5.71%0.0133%0.027CC..Hα-helixtrans-65.7-26.2-179.125.1-33.7000113.6Y476 F481 L482 Q485 I1340 V1582 N1589Y476-P1585 HydrophobicContact CD1-CG 4.01Å; Y476-P1585 HydrophobicContact CE1-CG 4.29Å; Y476-P1585 HydrophobicContact CG-CG 4.2Å; F481-P1585 HydrophobicContact CD1-CB 4.31Å; F481-P1585 HydrophobicContact CE1-CB 3.98Å; L482-P1585 HydrophobicContact CD2-CB 3.63Å; L482-P1585 HydrophobicContact CD2-CG 4.35Å; Q485-P1585 PolarHBondContact NE2-O 3.04Å; I1340-P1585 HydrophobicContact CG2-CB 3.69Å; I1340-P1585 HydrophobicContact CG2-CG 4.1Å; I1340-P1585 WeakPolarHBondContact CG2-O 3.49Å; V1582-P1585 HydrophobicContact CB-CG 3.99Å; V1582-P1585 HydrophobicContact CG1-CG 4.17Å; V1582-P1585 WeakPolarHBondContact O-CD 3Å; V1582-P1585 WeakPolarHBondContact O-CG 3.46Å; P1585-N1589 WeakPolarHBondContact O-CB 3.39Å; P1585-N1589 PolarHBondContact O-N 3.41Å
1586A87.4Confident84.7Confident0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-73.4-44.7175.800000113.2I1340 P1342 M1345 V1582 S1583 G1584 L1588 N1589 T1590I1340-A1586 HydrophobicContact CG2-CB 4.14Å; P1342-A1586 HydrophobicContact CG-CB 4.05Å; M1345-A1586 HydrophobicContact CE-CB 4.23Å; V1582-A1586 WeakPolarHBondContact O-CB 3.23Å; V1582-A1586 PolarHBondContact O-N 3.3Å; S1583-A1586 PolarHBondContact O-N 2.65Å; S1583-A1586 VanDerWaalsContact O-N 3.15Å; G1584-A1586 VanDerWaalsContact C-N 3.28Å; G1584-A1586 PolarHBondContact O-N 2.89Å; A1586-L1588 VanDerWaalsContact C-N 3.31Å; A1586-N1589 PolarHBondContact O-N 3.25Å; A1586-T1590 PolarHBondContact O-N 3.19Å; A1586-T1590 PolarHBondContact O-OG1 3.5Å
1587Y89Confident83.9Confident0 Ų06.5 Ų6.50%03%0.031CC..Hα-helixtrans-71.4-28.5176.8-73.7-78.3000112.4P1342 M1345 T1356 W1399 Y1504 G1505 S1583 G1584 T1590 L1591P1342-Y1587 HydrophobicContact CB-CE1 4.17Å; P1342-Y1587 HydrophobicContact CB-CE2 4.42Å; P1342-Y1587 HydrophobicContact CG-CD1 4.33Å; P1342-Y1587 HydrophobicContact CG-CE1 4.23Å; M1345-Y1587 HydrophobicContact CE-CE2 3.92Å; T1356-Y1587 HydrophobicContact CG2-CE1 4.03Å; W1399-Y1587 HydrophobicContact CZ2-CD1 4.22Å; W1399-Y1587 HydrophobicContact CZ2-CE1 4.06Å; Y1504-Y1587 VanDerWaalsContact C-CE2 3.46Å; G1505-Y1587 VanDerWaalsContact CA-CZ 3.47Å; G1505-Y1587 VanDerWaalsContact N-CE2 3.31Å; G1505-Y1587 PolarHBondContact N-OH 3.15Å; S1583-Y1587 VanDerWaalsContact O-CD2 3.23Å; S1583-Y1587 WeakPolarHBondContact O-CD2 3.28Å; S1583-Y1587 PolarHBondContact O-N 3.21Å; G1584-Y1587 PolarHBondContact O-N 3.2Å; Y1587-T1590 WeakPolarHBondContact CA-OG1 3.23Å; Y1587-T1590 PolarHBondContact O-OG1 2.89Å; Y1587-L1591 WeakPolarHBondContact O-CB 3.49Å; Y1587-L1591 PolarHBondContact O-N 3.24Å; Y1587-L1591 VanDerWaalsContact O-N 3.12Å
1588L89.4Confident83.2Confident0 Ų05.2 Ų5.20%02%0.024CC..Hα-helixtrans-61.7-48.7166-178.458.8000111.3L77 L482 Q485 K535 M537 I1574 G1584 A1586 T1590 L1591 H1592L77-L1588 HydrophobicContact CD1-CD1 3.97Å; L77-L1588 HydrophobicContact CD1-CD2 4.09Å; L482-L1588 HydrophobicContact CD2-CD2 3.74Å; Q485-L1588 HydrophobicContact CB-CD2 4.22Å; Q485-L1588 HydrophobicContact CG-CD2 4.17Å; K535-L1588 HydrophobicContact CD-CD1 4.21Å; M537-L1588 HydrophobicContact CE-CB 3.73Å; M537-L1588 HydrophobicContact CE-CD1 4.42Å; M537-L1588 HydrophobicContact CE-CD2 4.04Å; M537-L1588 HydrophobicContact CE-CG 4.27Å; I1574-L1588 HydrophobicContact CD1-CB 4.14Å; I1574-L1588 HydrophobicContact CD1-CD1 3.67Å; G1584-L1588 WeakPolarHBondContact O-CB 3.25Å; G1584-L1588 PolarHBondContact O-N 3.46Å; A1586-L1588 VanDerWaalsContact C-N 3.31Å; L1588-T1590 PolarHBondContact O-N 3.21Å; L1588-L1591 PolarHBondContact O-N 2.88Å; L1588-L1591 VanDerWaalsContact O-N 3.12Å; L1588-H1592 WeakPolarHBondContact CD1-CE1 3.42Å; L1588-H1592 WeakPolarHBondContact CG-CE1 3.32Å; L1588-H1592 PolarHBondContact O-N 3.19Å; L1588-H1592 PolarHBondContact O-ND1 2.91Å
1589N87.5Confident82.6Confident0 Ų06 Ų60%03%0.028CC..Hα-helixtrans-61.3-41.2179.4-165.321.3000112.5I1340 I1402 P1585 A1586 L1591 H1592 N1593 I1615I1340-N1589 PolarHBondContact O-ND2 2.98Å; I1402-N1589 VanDerWaalsContact CD1-ND2 3.31Å; I1402-N1589 WeakPolarHBondContact CD1-ND2 3.37Å; P1585-N1589 WeakPolarHBondContact O-CB 3.39Å; P1585-N1589 PolarHBondContact O-N 3.41Å; A1586-N1589 PolarHBondContact O-N 3.25Å; N1589-L1591 VanDerWaalsContact C-N 3.35Å; N1589-L1591 PolarHBondContact O-N 3.47Å; N1589-H1592 PolarHBondContact O-N 3.1Å; N1589-N1593 PolarHBondContact O-N 3.41Å; N1589-N1593 PolarHBondContact O-ND2 3.48Å; N1589-N1593 PolarHBondContact OD1-ND2 3.23Å; N1589-I1615 PolarHBondContact OD1-O 3Å
1590T84.2Confident82Confident2 Ų26.7 Ų6.71%0.0123%0.031CC..Hα-helixtrans-64.9-37.3173.844.10000112.6P1342 W1399 A1586 Y1587 L1588 N1593 L1594P1342-T1590 HydrophobicContact CG-CG2 3.6Å; W1399-T1590 WeakPolarHBondContact O-CB 3.41Å; W1399-T1590 WeakPolarHBondContact O-CG2 3.34Å; A1586-T1590 PolarHBondContact O-N 3.19Å; A1586-T1590 PolarHBondContact O-OG1 3.5Å; Y1587-T1590 WeakPolarHBondContact CA-OG1 3.23Å; Y1587-T1590 PolarHBondContact O-OG1 2.89Å; L1588-T1590 PolarHBondContact O-N 3.21Å; T1590-N1593 PolarHBondContact O-N 3.2Å; T1590-L1594 VanDerWaalsContact O-CB 3.27Å; T1590-L1594 WeakPolarHBondContact O-CB 3.03Å; T1590-L1594 PolarHBondContact O-N 3.31Å
1591L85.7Confident80.9Confident2 Ų210 Ų101%0.015%0.048CC..Hα-helixtrans-64.6-41.7175.3178.4146.7000111.7K535 L1507 F1572 I1574 Y1587 L1588 N1589 L1594 Q1595K535-L1591 HydrophobicContact CD-CD2 4.07Å; K535-L1591 HydrophobicContact CG-CD2 4.1Å; L1507-L1591 HydrophobicContact CD1-CB 4.22Å; L1507-L1591 HydrophobicContact CD1-CD1 4.23Å; L1507-L1591 HydrophobicContact CD2-CB 4.27Å; L1507-L1591 HydrophobicContact CD2-CD1 3.88Å; F1572-L1591 HydrophobicContact CB-CD1 3.54Å; F1572-L1591 HydrophobicContact CD1-CD1 4.02Å; F1572-L1591 HydrophobicContact CD2-CD1 3.96Å; F1572-L1591 HydrophobicContact CG-CD1 3.59Å; I1574-L1591 HydrophobicContact CD1-CD1 4.44Å; I1574-L1591 HydrophobicContact CG1-CD1 4.19Å; Y1587-L1591 WeakPolarHBondContact O-CB 3.49Å; Y1587-L1591 PolarHBondContact O-N 3.24Å; Y1587-L1591 VanDerWaalsContact O-N 3.12Å; L1588-L1591 PolarHBondContact O-N 2.88Å; L1588-L1591 VanDerWaalsContact O-N 3.12Å; N1589-L1591 VanDerWaalsContact C-N 3.35Å; N1589-L1591 PolarHBondContact O-N 3.47Å; L1591-L1594 PolarHBondContact O-N 3.47Å; L1591-Q1595 HydrophobicContact CD2-CG 4.36Å; L1591-Q1595 VanDerWaalsContact O-CG 3.32Å; L1591-Q1595 WeakPolarHBondContact O-CG 3.37Å; L1591-Q1595 PolarHBondContact O-N 3.25Å
1592H86.4Confident79.7Confident0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-63.3-42.3175.2-65.3135.9000112.6D486 S489 I493 K535 L1588 N1589 Q1595 L1596D486-H1592 IonicContact OD1-CD2 3.77Å; D486-H1592 IonicContact OD1-CE1 2.71Å; D486-H1592 IonicContact OD1-NE2 3.68Å; D486-H1592 PolarHBondContact OD1-NE2 2.92Å; S489-H1592 VanDerWaalsContact CB-CD2 3.49Å; S489-H1592 WeakPolarHBondContact CB-CD2 3.37Å; S489-H1592 WeakPolarHBondContact CB-ND1 3.47Å; S489-H1592 PolarHBondContact OG-CE1 2.99Å; S489-H1592 PolarHBondContact OG-ND1 3.47Å; I493-H1592 HydrophobicContact CD1-CB 4.3Å; K535-H1592 PolarHBondContact NZ-NE2 3.33Å; L1588-H1592 WeakPolarHBondContact CD1-CE1 3.42Å; L1588-H1592 WeakPolarHBondContact CG-CE1 3.32Å; L1588-H1592 PolarHBondContact O-N 3.19Å; L1588-H1592 PolarHBondContact O-ND1 2.91Å; N1589-H1592 PolarHBondContact O-N 3.1Å; H1592-Q1595 WeakPolarHBondContact O-CB 3.48Å; H1592-Q1595 PolarHBondContact O-N 3.24Å; H1592-L1596 WeakPolarHBondContact O-CB 3.05Å; H1592-L1596 PolarHBondContact O-N 3.11Å
1593N81.5Confident78.1Confident1 Ų120.3 Ų20.31%0.00510%0.101CC..Hα-helixtrans-67.6-38.5176.8-78.8-90.5000111.9N1589 T1590 L1596 H1597 S1614 I1615N1589-N1593 PolarHBondContact O-N 3.41Å; N1589-N1593 PolarHBondContact O-ND2 3.48Å; N1589-N1593 PolarHBondContact OD1-ND2 3.23Å; T1590-N1593 PolarHBondContact O-N 3.2Å; N1593-L1596 PolarHBondContact O-N 3.38Å; N1593-H1597 PolarHBondContact O-CD2 3.23Å; N1593-H1597 VanDerWaalsContact O-CG 3.23Å; N1593-H1597 PolarHBondContact O-N 3.2Å; N1593-S1614 VanDerWaalsContact OD1-CA 3.23Å; N1593-S1614 WeakPolarHBondContact OD1-CA 3.28Å; N1593-S1614 VanDerWaalsContact OD1-CB 3.31Å; N1593-S1614 WeakPolarHBondContact OD1-CB 3.4Å; N1593-I1615 PolarHBondContact ND2-O 2.87Å; N1593-I1615 PolarHBondContact OD1-N 3.05Å
1594L80.6Confident76.2Confident6 Ų624.9 Ų24.93%0.03113%0.129CC..Hα-helixtrans-60.1-45.5172.6-171.8165.7000111.4Y1389 A1392 L1393 G1398 T1590 L1591 L1596 H1597 M1598Y1389-L1594 HydrophobicContact CD1-CD2 3.59Å; Y1389-L1594 HydrophobicContact CE1-CD2 3.94Å; A1392-L1594 HydrophobicContact CB-CD2 4.26Å; L1393-L1594 HydrophobicContact CD2-CD1 3.46Å; L1393-L1594 VanDerWaalsContact CD2-CD1 3.46Å; L1393-L1594 HydrophobicContact CG-CD1 3.97Å; G1398-L1594 WeakPolarHBondContact O-CB 3.18Å; G1398-L1594 WeakPolarHBondContact O-CD1 3.49Å; G1398-L1594 WeakPolarHBondContact O-CG 3.39Å; T1590-L1594 VanDerWaalsContact O-CB 3.27Å; T1590-L1594 WeakPolarHBondContact O-CB 3.03Å; T1590-L1594 PolarHBondContact O-N 3.31Å; L1591-L1594 PolarHBondContact O-N 3.47Å; L1594-L1596 VanDerWaalsContact C-N 3.33Å; L1594-L1596 PolarHBondContact O-N 3.42Å; L1594-H1597 PolarHBondContact O-N 2.9Å; L1594-M1598 WeakPolarHBondContact O-CB 3.49Å; L1594-M1598 PolarHBondContact O-N 2.82Å
1595Q80.1Confident73.9Confident6 Ų629.6 Ų29.63%0.02817%0.168CC..Hα-helixtrans-56.9-46.4174.3-75-174.6-52.300111.6I493 K535 Y1389 L1591 H1592 L1599I493-Q1595 HydrophobicContact CD1-CB 4.16Å; K535-Q1595 VanDerWaalsContact CE-OE1 3.28Å; Y1389-Q1595 HydrophobicContact CE1-CG 3.82Å; Y1389-Q1595 WeakPolarHBondContact OH-CG 3.46Å; Y1389-Q1595 PolarHBondContact OH-NE2 3.47Å; L1591-Q1595 HydrophobicContact CD2-CG 4.36Å; L1591-Q1595 VanDerWaalsContact O-CG 3.32Å; L1591-Q1595 WeakPolarHBondContact O-CG 3.37Å; L1591-Q1595 PolarHBondContact O-N 3.25Å; H1592-Q1595 WeakPolarHBondContact O-CB 3.48Å; H1592-Q1595 PolarHBondContact O-N 3.24Å; Q1595-L1599 WeakPolarHBondContact O-CG 3.47Å; Q1595-L1599 PolarHBondContact O-N 3.36Å
1596L77.4Confident71.6Confident7 Ų737.3 Ų37.34%0.03721%0.208CC..Hα-helixtrans-64.1-46.8178.2-178.5143.3000112.4I493 H1592 N1593 L1594 M1598 L1599 Y1600 S1613 I1615I493-L1596 HydrophobicContact CG1-CB 4.22Å; I493-L1596 HydrophobicContact CG1-CD1 4.34Å; H1592-L1596 WeakPolarHBondContact O-CB 3.05Å; H1592-L1596 PolarHBondContact O-N 3.11Å; N1593-L1596 PolarHBondContact O-N 3.38Å; L1594-L1596 VanDerWaalsContact C-N 3.33Å; L1594-L1596 PolarHBondContact O-N 3.42Å; L1596-M1598 PolarHBondContact O-N 3.46Å; L1596-L1599 PolarHBondContact O-N 3.11Å; L1596-Y1600 HydrophobicContact CD2-CD2 3.86Å; L1596-Y1600 HydrophobicContact CD2-CE2 3.71Å; L1596-Y1600 HydrophobicContact CG-CD2 4.21Å; L1596-Y1600 HydrophobicContact CG-CE2 3.92Å; L1596-Y1600 VanDerWaalsContact O-CD2 3.3Å; L1596-Y1600 WeakPolarHBondContact O-CD2 3.3Å; L1596-Y1600 PolarHBondContact O-N 3.14Å; L1596-S1613 WeakPolarHBondContact CD2-O 3.35Å; L1596-I1615 HydrophobicContact CD1-CD1 4.06Å; L1596-I1615 HydrophobicContact CD1-CG1 4.1Å
1597H73.4Confident69.4Low20 Ų2044.2 Ų44.29%0.09324%0.243CC..Hα-helixtrans-66-36.1178.8-63.6-43.3000113G1401 N1593 L1594 L1599 N1601 S1613G1401-H1597 WeakPolarHBondContact CA-NE2 3.25Å; N1593-H1597 PolarHBondContact O-CD2 3.23Å; N1593-H1597 VanDerWaalsContact O-CG 3.23Å; N1593-H1597 PolarHBondContact O-N 3.2Å; L1594-H1597 PolarHBondContact O-N 2.9Å; H1597-L1599 VanDerWaalsContact C-N 3.34Å; H1597-L1599 PolarHBondContact O-N 3.15Å; H1597-N1601 PolarHBondContact O-N 3.49Å; H1597-N1601 PolarHBondContact O-ND2 3.27Å; H1597-S1613 PolarHBondContact CE1-O 3.3Å
1598M73Confident67.3Low8 Ų851.1 Ų51.14%0.03928%0.28CS..Hα-helixtrans-64-40.1176-171.3-130.4-73.600111.9L531 N1388 Y1389 A1392 L1594 L1596 N1601L531-M1598 HydrophobicContact CD2-CE 4.07Å; L531-M1598 HydrophobicContact CD2-SD 3.56Å; L531-M1598 VanDerWaalsContact CD2-SD 3.56Å; N1388-M1598 HydrophobicContact CB-CE 4.14Å; N1388-M1598 HydrophobicContact CB-SD 4.02Å; Y1389-M1598 HydrophobicContact CD1-CE 3.45Å; Y1389-M1598 VanDerWaalsContact CD1-CE 3.45Å; Y1389-M1598 HydrophobicContact CD2-CE 3.47Å; Y1389-M1598 VanDerWaalsContact CD2-CE 3.47Å; Y1389-M1598 HydrophobicContact CE1-CE 3.51Å; Y1389-M1598 HydrophobicContact CE2-CE 3.49Å; Y1389-M1598 VanDerWaalsContact CE2-CE 3.49Å; Y1389-M1598 HydrophobicContact CG-CE 3.43Å; Y1389-M1598 VanDerWaalsContact CG-CE 3.43Å; A1392-M1598 HydrophobicContact CB-CB 4.06Å; A1392-M1598 HydrophobicContact CB-CG 4.01Å; L1594-M1598 WeakPolarHBondContact O-CB 3.49Å; L1594-M1598 PolarHBondContact O-N 2.82Å; L1596-M1598 PolarHBondContact O-N 3.46Å; M1598-N1601 PolarHBondContact O-N 3.29Å
1599L69.3Low65.4Low23 Ų2358.4 Ų58.412%0.1231%0.314CS..Hα-helixtrans-64.8-43.4179.8-73.2164.5000112I493 L531 Q1595 L1596 H1597 N1601 N1602I493-L1599 HydrophobicContact CG2-CD1 3.63Å; L531-L1599 HydrophobicContact CB-CD2 4.48Å; L531-L1599 HydrophobicContact CD1-CD2 4Å; L531-L1599 HydrophobicContact CD2-CD2 4.09Å; L531-L1599 HydrophobicContact CG-CD2 4.41Å; Q1595-L1599 WeakPolarHBondContact O-CG 3.47Å; Q1595-L1599 PolarHBondContact O-N 3.36Å; L1596-L1599 PolarHBondContact O-N 3.11Å; H1597-L1599 VanDerWaalsContact C-N 3.34Å; H1597-L1599 PolarHBondContact O-N 3.15Å; L1599-N1601 PolarHBondContact O-N 3.22Å; L1599-N1602 PolarHBondContact O-N 3.43Å
1600Y67Low63.5Low40 Ų4064.9 Ų64.916%0.15735%0.349CS..Hα-helixtrans-62.8-40.7175.2-79.9-64.2000113.6Q433 L1596 N1602 Q1603 S1613Q433-Y1600 HydrophobicContact CG-CE1 4.07Å; L1596-Y1600 HydrophobicContact CD2-CD2 3.86Å; L1596-Y1600 HydrophobicContact CD2-CE2 3.71Å; L1596-Y1600 HydrophobicContact CG-CD2 4.21Å; L1596-Y1600 HydrophobicContact CG-CE2 3.92Å; L1596-Y1600 VanDerWaalsContact O-CD2 3.3Å; L1596-Y1600 WeakPolarHBondContact O-CD2 3.3Å; L1596-Y1600 PolarHBondContact O-N 3.14Å; Y1600-N1602 PolarHBondContact O-N 2.89Å; Y1600-Q1603 PolarHBondContact O-N 3.04Å; Y1600-Q1603 VanDerWaalsContact O-N 3.09Å; Y1600-S1613 WeakPolarHBondContact CE2-OG 3.29Å
1601N57.8Low61.9Low68 Ų6870 Ų7036%0.36437%0.372SS..Hα-helixtrans-59.7-28.1-179.5-86.6-34.1000113.9Q1395 H1597 M1598 L1599 Q1603Q1395-N1601 PolarHBondContact NE2-ND2 2.95Å; Q1395-N1601 PolarHBondContact OE1-ND2 3.44Å; H1597-N1601 PolarHBondContact O-N 3.49Å; H1597-N1601 PolarHBondContact O-ND2 3.27Å; M1598-N1601 PolarHBondContact O-N 3.29Å; L1599-N1601 PolarHBondContact O-N 3.22Å; N1601-Q1603 PolarHBondContact O-N 2.95Å
1602N55.3Low60.6Low105 Ų10571.9 Ų71.956%0.56139%0.386SS*.THydrogen-bonded Turntrans-75.5-5.4179.1-74.9-23.7000113.8L1599 Y1600L1599-N1602 PolarHBondContact O-N 3.43Å; Y1600-N1602 PolarHBondContact O-N 2.89Å
1603Q51.4Low59.6Low136 Ų13672.5 Ų72.564%0.63639%0.39SS*.THydrogen-bonded Turntrans-111.3-28.1-176.8-67.6-173.5-14.400114.6Y1600 N1601Y1600-Q1603 PolarHBondContact O-N 3.04Å; Y1600-Q1603 VanDerWaalsContact O-N 3.09Å; N1601-Q1603 PolarHBondContact O-N 2.95Å
1604T46.1Very low59.3Low96 Ų9672.6 Ų72.659%0.58939%0.391SS*.  trans-143.2122.4179.654.10000111.7
1605A40.5Very low59.4Low100 Ų10072.3 Ų72.383%0.82639%0.389SS*.SBendtrans-98.1-10.2-168.400000115.8
1606L41Very low59.5Low163 Ų16372.1 Ų72.185%0.85339%0.388SS*.SBendtrans-146.9-1.3-155.3-105.7165.3000119.3
1607I40.7Very low60Low146 Ų14671.8 Ų71.875%0.74939%0.387SS*.SBendtrans-127.9125.6-171.5-57.4-178.1000112.9
1608N45.3Very low60.5Low144 Ų14471.2 Ų71.277%0.7738%0.384SS*.  trans60.582167.1-65.5-15.7000118.9N1610N1608-N1610 PolarHBondContact O-N 3.48Å
1609Q48.4Very low61.2Low154 Ų15470.9 Ų70.972%0.7238%0.382SS*.THydrogen-bonded Turntrans-69.19.5178.5-61.5176.9-14.700116.7Y1397Y1397-Q1609 PolarHBondContact OH-O 3.42Å; Y1397-Q1609 VanDerWaalsContact OH-O 3.13Å
1610N48.1Very low61.9Low136 Ų13671.9 Ų71.973%0.72739%0.387SS*.THydrogen-bonded Turntrans-92.7-21.2-163.2-79.1-11000116.3N1608N1608-N1610 PolarHBondContact O-N 3.48Å
1611H52Low62.4Low109 Ų10970 Ų7051%0.50538%0.379SS..  trans-13790.8-175.1-64.6-48.5000112.6S1613H1611-S1613 PolarHBondContact O-N 2.93Å
1612S57Low63.2Low42 Ų4267.1 Ų67.129%0.29436%0.364SS..  trans-81110.9171.856.10000111S1614S1612-S1614 PolarHBondContact O-N 3.02Å
1613S66.9Low63.5Low12 Ų1266 Ų668%0.08436%0.361CS..  trans-57.5129.6170.756.50000111Q433 L1596 H1597 Y1600 H1611Q433-S1613 WeakPolarHBondContact O-CB 3.4Å; L1596-S1613 WeakPolarHBondContact CD2-O 3.35Å; H1597-S1613 PolarHBondContact CE1-O 3.3Å; Y1600-S1613 WeakPolarHBondContact CE2-OG 3.29Å; H1611-S1613 PolarHBondContact O-N 2.93Å
1614S75.1Confident63.7Low3 Ų362.4 Ų62.42%0.02135%0.345CS..  trans-139.6145.4-175680000112.5S436 T437 N1593 S1612S436-S1614 CarbonylContact C-O 3.47Å; S436-S1614 VanDerWaalsContact CA-O 3.27Å; S436-S1614 WeakPolarHBondContact CA-O 3.45Å; S436-S1614 WeakPolarHBondContact CB-O 3.4Å; T437-S1614 PolarHBondContact N-O 3.18Å; N1593-S1614 VanDerWaalsContact OD1-CA 3.23Å; N1593-S1614 WeakPolarHBondContact OD1-CA 3.28Å; N1593-S1614 VanDerWaalsContact OD1-CB 3.31Å; N1593-S1614 WeakPolarHBondContact OD1-CB 3.4Å; S1612-S1614 PolarHBondContact O-N 3.02Å
1615I82.4Confident63.9Low0 Ų062.5 Ų62.50%034%0.342CS..EExtended strand (participates in β ladder)trans-90.2125.3173.6-51.7176.3000109.1I439 I492 I493 I1402 N1589 N1593 L1596 F1617I439-I1615 HydrophobicContact CD1-CG2 3.66Å; I492-I1615 HydrophobicContact CB-CD1 4.16Å; I492-I1615 HydrophobicContact CG2-CD1 3.78Å; I492-I1615 HydrophobicContact CG2-CG1 4.24Å; I493-I1615 HydrophobicContact CG1-CD1 4.39Å; I1402-I1615 WeakPolarHBondContact CD1-O 3.39Å; N1589-I1615 PolarHBondContact OD1-O 3Å; N1593-I1615 PolarHBondContact ND2-O 2.87Å; N1593-I1615 PolarHBondContact OD1-N 3.05Å; L1596-I1615 HydrophobicContact CD1-CD1 4.06Å; L1596-I1615 HydrophobicContact CD1-CG1 4.1Å; I1615-F1617 HydrophobicContact CG2-CD2 4.08Å; I1615-F1617 HydrophobicContact CG2-CE2 3.54Å; I1615-F1617 HydrophobicContact CG2-CZ 4.21Å
1616I81.7Confident64.3Low2 Ų262.2 Ų62.21%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-122.2108.1-174.7-56.1168000109.8T437 I438 I439 I1339 I1402 L1405 I1618T437-I1616 PolarHBondContact O-N 3.13Å; I438-I1616 HydrophobicContact CG1-CB 4.27Å; I438-I1616 HydrophobicContact CG1-CD1 4.02Å; I439-I1616 PolarHBondContact N-O 3.14Å; I1339-I1616 HydrophobicContact CG2-CG2 3.61Å; I1402-I1616 HydrophobicContact CG1-CG1 4.37Å; I1402-I1616 HydrophobicContact CG2-CD1 4.49Å; I1402-I1616 HydrophobicContact CG2-CG1 4.05Å; L1405-I1616 HydrophobicContact CD1-CD1 3.74Å; L1405-I1616 HydrophobicContact CD2-CD1 3.88Å; L1405-I1616 HydrophobicContact CG-CD1 4.44Å; I1616-I1618 HydrophobicContact CG2-CG1 4.43Å
1617F87.3Confident64.4Low0 Ų057.2 Ų57.20%030%0.301CS..EExtended strand (participates in β ladder)trans-87.5139.4171.5-72.1-89.2000112.1I439 I441 Q485 I488 S489 I1340 I1615I439-F1617 HydrophobicContact CB-CD1 3.94Å; I439-F1617 HydrophobicContact CB-CE1 3.95Å; I439-F1617 HydrophobicContact CD1-CD1 4.41Å; I439-F1617 HydrophobicContact CD1-CE1 3.75Å; I439-F1617 HydrophobicContact CD1-CE2 4.14Å; I439-F1617 HydrophobicContact CD1-CZ 3.6Å; I439-F1617 HydrophobicContact CG1-CE1 4.49Å; I439-F1617 HydrophobicContact CG2-CD1 3.95Å; I439-F1617 HydrophobicContact CG2-CE1 3.75Å; I439-F1617 CarbonylContact O-C 3.59Å; I439-F1617 WeakPolarHBondContact O-CA 3.42Å; I441-F1617 HydrophobicContact CD1-CD1 3.77Å; I441-F1617 HydrophobicContact CD1-CE1 4Å; I441-F1617 HydrophobicContact CG1-CD1 4.4Å; Q485-F1617 HydrophobicContact CG-CD1 4.11Å; Q485-F1617 HydrophobicContact CG-CD2 3.93Å; Q485-F1617 HydrophobicContact CG-CE1 3.96Å; Q485-F1617 HydrophobicContact CG-CE2 3.78Å; Q485-F1617 HydrophobicContact CG-CG 4.09Å; Q485-F1617 HydrophobicContact CG-CZ 3.79Å; I488-F1617 HydrophobicContact CB-CZ 4.47Å; I488-F1617 HydrophobicContact CG2-CZ 4.27Å; S489-F1617 WeakPolarHBondContact OG-CE2 3.28Å; S489-F1617 VanDerWaalsContact OG-CZ 3.31Å; S489-F1617 WeakPolarHBondContact OG-CZ 3.44Å; I1340-F1617 HydrophobicContact CB-CB 4.26Å; I1340-F1617 HydrophobicContact CD1-CB 4.09Å; I1340-F1617 PolarHBondContact N-O 3.24Å; I1615-F1617 HydrophobicContact CG2-CD2 4.08Å; I1615-F1617 HydrophobicContact CG2-CE2 3.54Å; I1615-F1617 HydrophobicContact CG2-CZ 4.21Å
1618I85.4Confident64.6Low9 Ų952.2 Ų52.25%0.04627%0.274CS..EExtended strand (participates in β ladder)trans-126124.8174.5-57.5-175.8000108.6I438 I439 T440 I441 P1337 M1338 I1339 I1413 I1616I438-I1618 HydrophobicContact CG2-CD1 3.7Å; I438-I1618 HydrophobicContact CG2-CG1 4.29Å; I439-I1618 PolarHBondContact O-N 3.39Å; T440-I1618 WeakPolarHBondContact CA-O 3.45Å; T440-I1618 HydrophobicContact CG2-CB 3.98Å; T440-I1618 HydrophobicContact CG2-CD1 4.1Å; T440-I1618 HydrophobicContact CG2-CG1 4.37Å; T440-I1618 HydrophobicContact CG2-CG2 4.47Å; I441-I1618 PolarHBondContact N-O 3.34Å; P1337-I1618 HydrophobicContact CB-CG2 3.87Å; M1338-I1618 CarbonylContact O-C 3.39Å; M1338-I1618 WeakPolarHBondContact O-CA 3.47Å; M1338-I1618 WeakPolarHBondContact O-CG2 3.2Å; I1339-I1618 HydrophobicContact CG2-CG1 4.45Å; I1413-I1618 HydrophobicContact CD1-CD1 4.26Å; I1616-I1618 HydrophobicContact CG2-CG1 4.43Å
1619N86.1Confident64.5Low0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-80.6124.6164.3177.513.5000109I448 D449 T451 Y476 M1338 I1340 P1621I448-N1619 HydrophobicContact CD1-CB 4.47Å; I448-N1619 VanDerWaalsContact CD1-CG 3.49Å; I448-N1619 VanDerWaalsContact CD1-OD1 3.3Å; I448-N1619 WeakPolarHBondContact CD1-OD1 3.17Å; D449-N1619 PolarHBondContact O-ND2 3.21Å; T451-N1619 HydrophobicContact CG2-CB 4.28Å; T451-N1619 WeakPolarHBondContact CG2-ND2 3.48Å; Y476-N1619 PolarHBondContact OH-ND2 2.86Å; M1338-N1619 PolarHBondContact N-O 3.47Å; M1338-N1619 PolarHBondContact O-N 2.93Å; I1340-N1619 HydrophobicContact CD1-CB 4.13Å; I1340-N1619 HydrophobicContact CG1-CB 4.45Å; N1619-P1621 VanDerWaalsContact OD1-CD 3.32Å; N1619-P1621 WeakPolarHBondContact OD1-CD 3.46Å
1620H83.8Confident64.1Low45 Ų4544.9 Ų44.921%0.20824%0.237CC..  trans-134.184.1172-177.1172.3000109.1I441 R442 P1337I441-H1620 PolarHBondContact O-N 3.17Å; R442-H1620 WeakPolarHBondContact CA-O 3.49Å; R442-H1620 WeakPolarHBondContact CB-O 3.4Å; R442-H1620 HydrophobicContact CG-CB 4.37Å; R442-H1620 PolarHBondContact NH2-CE1 2.78Å; R442-H1620 PolarHBondContact NH2-NE2 2.75Å; P1337-H1620 HydrophobicContact CB-CB 4.29Å
1621P78.1Confident63.8Low0 Ų046.4 Ų46.40%024%0.244CC..  trans-63.4150.3-177.928.8-34.5000110.9Q443 P445 I448 T451 N1335 N1619Q443-P1621 WeakPolarHBondContact O-CA 3.42Å; P445-P1621 HydrophobicContact CB-CB 4.33Å; I448-P1621 HydrophobicContact CG2-CB 3.81Å; T451-P1621 HydrophobicContact CG2-CG 4Å; T451-P1621 VanDerWaalsContact OG1-CD 3.28Å; T451-P1621 WeakPolarHBondContact OG1-CD 3.28Å; T451-P1621 WeakPolarHBondContact OG1-CG 3.22Å; N1335-P1621 HydrophobicContact CB-CG 4.08Å; N1619-P1621 VanDerWaalsContact OD1-CD 3.32Å; N1619-P1621 WeakPolarHBondContact OD1-CD 3.46Å
1622L74Confident63.5Low7 Ų742.3 Ų42.34%0.03723%0.232CC..  trans-61.5140.8178.8-62.2172.7000110.9M401 R442 Q443 I1624M401-L1622 HydrophobicContact CB-CD2 3.96Å; M401-L1622 HydrophobicContact CE-CD1 4Å; M401-L1622 HydrophobicContact CE-CD2 4.34Å; M401-L1622 WeakPolarHBondContact O-CD1 3.36Å; R442-L1622 HydrophobicContact CB-CD2 4.31Å; Q443-L1622 WeakPolarHBondContact O-CG 3.44Å; Q443-L1622 PolarHBondContact O-N 3.39Å; L1622-I1624 PolarHBondContact O-N 2.88Å; L1622-I1624 VanDerWaalsContact O-N 3.09Å
1623T62.4Low63Low83 Ų8342.9 Ų42.951%0.50923%0.231SC..  trans-58.2114.7178.547.30000110.7K405 L1625K405-T1623 WeakPolarHBondContact CE-O 3.44Å; K405-T1623 PolarHBondContact NZ-O 3.01Å; K405-T1623 PolarHBondContact NZ-OG1 2.87Å; T1623-L1625 PolarHBondContact O-N 2.97Å; T1623-L1625 VanDerWaalsContact O-N 3.11Å
1624I55.2Low62.5Low59 Ų5946.5 Ų46.530%0.30325%0.254SS..  trans-55.1118.8177.3-66.4168.7000108.7P445 L1622 D1626 H1628P445-I1624 HydrophobicContact CB-CD1 4.21Å; P445-I1624 HydrophobicContact CB-CG1 3.98Å; P445-I1624 HydrophobicContact CG-CD1 4.23Å; P445-I1624 HydrophobicContact CG-CG1 3.47Å; P445-I1624 VanDerWaalsContact CG-CG1 3.47Å; L1622-I1624 PolarHBondContact O-N 2.88Å; L1622-I1624 VanDerWaalsContact O-N 3.09Å; I1624-D1626 PolarHBondContact O-N 3.32Å; I1624-H1628 HydrophobicContact CG2-CB 3.94Å
1625L51Low61.6Low98 Ų9849.4 Ų49.451%0.51327%0.272SS..  trans-58137.7161.6-115.982.5000106.7K405 T1623 N1627 H1628K405-L1625 HydrophobicContact CD-CD1 4.04Å; T1623-L1625 PolarHBondContact O-N 2.97Å; T1623-L1625 VanDerWaalsContact O-N 3.11Å; L1625-N1627 WeakPolarHBondContact O-CA 3.27Å; L1625-N1627 PolarHBondContact O-N 3.28Å; L1625-H1628 PolarHBondContact O-N 3.37Å
1626D49.3Very low60.9Low94 Ų9451.7 Ų51.750%0.50328%0.283SS..G310 helixtrans-49.6-17.1-172.1-105.8-60.2000115.2I1624 H1628 K1629 K1822I1624-D1626 PolarHBondContact O-N 3.32Å; D1626-H1628 PolarHBondContact O-N 2.99Å; D1626-H1628 VanDerWaalsContact O-N 3.07Å; D1626-K1629 WeakPolarHBondContact OD1-CE 3.39Å; D1626-K1629 IonicContact OD1-NZ 3.05Å; D1626-K1629 PolarHBondContact OD1-NZ 3.03Å; D1626-K1822 PolarHBondContact O-NZ 2.91Å
1627N41.9Very low60.4Low59 Ų5952.7 Ų52.732%0.31629%0.288SS..G310 helixtrans-41.8-30.2169.8-62.8-4.5000116.1L1625 K1822L1625-N1627 WeakPolarHBondContact O-CA 3.27Å; L1625-N1627 PolarHBondContact O-N 3.28Å; N1627-K1822 VanDerWaalsContact CA-CE 3.48Å; N1627-K1822 HydrophobicContact CB-CD 4.48Å; N1627-K1822 HydrophobicContact CB-CG 4.05Å; N1627-K1822 WeakPolarHBondContact OD1-CE 3.49Å
1628H45.1Very low59.5Low41 Ų4154.5 Ų54.519%0.1930%0.297CS..G310 helixtrans-125.130.1-165.3-54.3-45.2000116.4Y446 I1624 L1625 D1626 S1630 Y1823Y446-H1628 HydrophobicContact CE2-CB 4.47Å; Y446-H1628 AromaticContact CE2-CD2 3.53Å; Y446-H1628 AromaticContact CE2-CG 3.99Å; Y446-H1628 AromaticContact CE2-NE2 3.86Å; Y446-H1628 AromaticContact CZ-CD2 3.83Å; Y446-H1628 AromaticContact CZ-CG 3.79Å; Y446-H1628 WeakPolarHBondContact OH-CB 3.33Å; Y446-H1628 PolarHBondContact OH-CD2 2.94Å; Y446-H1628 VanDerWaalsContact OH-CD2 3.32Å; Y446-H1628 PolarHBondContact OH-CE1 3.32Å; Y446-H1628 PolarHBondContact OH-ND1 3.24Å; I1624-H1628 HydrophobicContact CG2-CB 3.94Å; L1625-H1628 PolarHBondContact O-N 3.37Å; D1626-H1628 PolarHBondContact O-N 2.99Å; D1626-H1628 VanDerWaalsContact O-N 3.07Å; H1628-S1630 PolarHBondContact O-N 3.02Å; H1628-Y1823 AromaticContact CE1-CD1 3.69Å; H1628-Y1823 AromaticContact CE1-CE1 3.43Å; H1628-Y1823 VanDerWaalsContact CE1-CE1 3.43Å; H1628-Y1823 WeakPolarHBondContact CE1-CE1 3.15Å; H1628-Y1823 AromaticContact CE1-CZ 3.76Å; H1628-Y1823 AromaticContact ND1-CD1 3.98Å; H1628-Y1823 AromaticContact ND1-CE1 3.37Å; H1628-Y1823 WeakPolarHBondContact ND1-CE1 3.4Å; H1628-Y1823 AromaticContact ND1-CE2 3.68Å; H1628-Y1823 AromaticContact ND1-CZ 3.19Å; H1628-Y1823 PolarHBondContact ND1-OH 3.15Å
1629K43.5Very low58.9Low112 Ų11255.2 Ų55.249%0.48730%0.3SS..  trans-69.825.8163.8-74.2172.3175.6155.10113.5D1626 L1631 G1632D1626-K1629 WeakPolarHBondContact OD1-CE 3.39Å; D1626-K1629 IonicContact OD1-NZ 3.05Å; D1626-K1629 PolarHBondContact OD1-NZ 3.03Å; K1629-L1631 PolarHBondContact O-N 3.4Å; K1629-G1632 PolarHBondContact O-N 3.38Å
1630S40.3Very low58.6Low31 Ų3155.2 Ų55.222%0.21730%0.3CS..G310 helixtrans-73.4-23.1-165.545.90000114.8H1628 G1632 L1633 Y1823H1628-S1630 PolarHBondContact O-N 3.02Å; S1630-G1632 PolarHBondContact O-N 3.37Å; S1630-G1632 VanDerWaalsContact O-N 3.13Å; S1630-L1633 WeakPolarHBondContact O-CB 3.41Å; S1630-L1633 PolarHBondContact O-N 2.75Å; S1630-Y1823 PolarHBondContact OG-OH 3.16Å
1631L41.5Very low58.2Low168 Ų16853.7 Ų53.788%0.8829%0.293SS*.G310 helixtrans-62.5-15.9167.8-118.779.1000112.8K1629 L1633K1629-L1631 PolarHBondContact O-N 3.4Å; L1631-L1633 VanDerWaalsContact C-N 3.34Å
1632G44.5Very low58.1Low24 Ų2454 Ų5425%0.24729%0.294CS..G310 helixtrans-81.1-3.5173.300000115.1K1629 S1630 T1635 E1636K1629-G1632 PolarHBondContact O-N 3.38Å; S1630-G1632 PolarHBondContact O-N 3.37Å; S1630-G1632 VanDerWaalsContact O-N 3.13Å; G1632-T1635 WeakPolarHBondContact CA-OG1 3.42Å; G1632-T1635 PolarHBondContact O-N 3.38Å; G1632-T1635 PolarHBondContact O-OG1 3.19Å; G1632-E1636 PolarHBondContact O-N 3.37Å
1633L47.8Very low58.5Low53 Ų5353.6 Ų53.628%0.27729%0.293SS..Hα-helixtrans-50.8-51.9-178.8-147.299.2000113.4S1630 L1631 T1635 E1636 L1637 F1819S1630-L1633 WeakPolarHBondContact O-CB 3.41Å; S1630-L1633 PolarHBondContact O-N 2.75Å; L1631-L1633 VanDerWaalsContact C-N 3.34Å; L1633-T1635 VanDerWaalsContact C-N 3.25Å; L1633-T1635 PolarHBondContact O-N 3.05Å; L1633-E1636 PolarHBondContact O-N 3.34Å; L1633-L1637 HydrophobicContact CD2-CD1 4.13Å; L1633-L1637 HydrophobicContact CG-CD1 4.14Å; L1633-L1637 WeakPolarHBondContact O-CD1 3.27Å; L1633-L1637 PolarHBondContact O-N 2.96Å; L1633-F1819 HydrophobicContact CD1-CB 4.41Å; L1633-F1819 HydrophobicContact CD1-CD2 4.41Å
1634P55.5Low59.5Low88 Ų8849.7 Ų49.757%0.57127%0.268SS*.Hα-helixtrans-65.1-28178.226.4-35.7000112.9L1638P1634-L1638 WeakPolarHBondContact O-CB 3.35Å; P1634-L1638 PolarHBondContact O-N 3.45Å; P1634-L1638 VanDerWaalsContact O-N 3.14Å
1635T57.5Low60.6Low65 Ų6547.5 Ų47.540%0.39926%0.257SS..Hα-helixtrans-73.6-43.9178.955.20000112.7M684 G1632 L1633 L1637 L1638 Y1639M684-T1635 HydrophobicContact CE-CG2 4.28Å; M684-T1635 WeakPolarHBondContact CE-O 3.14Å; G1632-T1635 WeakPolarHBondContact CA-OG1 3.42Å; G1632-T1635 PolarHBondContact O-N 3.38Å; G1632-T1635 PolarHBondContact O-OG1 3.19Å; L1633-T1635 VanDerWaalsContact C-N 3.25Å; L1633-T1635 PolarHBondContact O-N 3.05Å; T1635-L1637 VanDerWaalsContact C-N 3.33Å; T1635-L1637 PolarHBondContact O-N 3.44Å; T1635-L1638 PolarHBondContact O-N 3.18Å; T1635-Y1639 PolarHBondContact O-N 3.35Å
1636E67.6Low61.9Low48 Ų4843 Ų4322%0.22423%0.234CC..Hα-helixtrans-70.4-31.5177.4-64-152.9-162.900112.4K1330 G1632 L1633 L1638 Y1639 D1640 Y1815K1330-E1636 WeakPolarHBondContact CE-OE1 3.43Å; K1330-E1636 IonicContact NZ-OE1 2.73Å; K1330-E1636 PolarHBondContact NZ-OE1 3.01Å; K1330-E1636 IonicContact NZ-OE2 2.7Å; K1330-E1636 PolarHBondContact NZ-OE2 3.49Å; G1632-E1636 PolarHBondContact O-N 3.37Å; L1633-E1636 PolarHBondContact O-N 3.34Å; E1636-L1638 VanDerWaalsContact C-N 3.34Å; E1636-L1638 PolarHBondContact O-N 3.48Å; E1636-Y1639 PolarHBondContact O-N 3.21Å; E1636-D1640 PolarHBondContact O-N 2.9Å; E1636-Y1815 HydrophobicContact CB-CD1 4.47Å; E1636-Y1815 HydrophobicContact CB-CE1 3.7Å; E1636-Y1815 HydrophobicContact CB-CE2 4.17Å; E1636-Y1815 HydrophobicContact CG-CE1 4.34Å; E1636-Y1815 WeakPolarHBondContact OE2-CE1 3.28Å; E1636-Y1815 PolarHBondContact OE2-OH 2.88Å
1637L70.3Confident63.6Low22 Ų2238.7 Ų38.712%0.11521%0.211CC..Hα-helixtrans-62.4-35.7169.9-98.3121.9000113.3L1633 T1635 D1640 L1641 F1808 K1812L1633-L1637 HydrophobicContact CD2-CD1 4.13Å; L1633-L1637 HydrophobicContact CG-CD1 4.14Å; L1633-L1637 WeakPolarHBondContact O-CD1 3.27Å; L1633-L1637 PolarHBondContact O-N 2.96Å; T1635-L1637 VanDerWaalsContact C-N 3.33Å; T1635-L1637 PolarHBondContact O-N 3.44Å; L1637-D1640 PolarHBondContact O-N 3.49Å; L1637-L1641 WeakPolarHBondContact O-CB 3.02Å; L1637-L1641 PolarHBondContact O-N 3.29Å; L1637-F1808 HydrophobicContact CD2-CE1 4.25Å; L1637-F1808 HydrophobicContact CD2-CE2 3.66Å; L1637-F1808 HydrophobicContact CD2-CZ 3.46Å; L1637-F1808 VanDerWaalsContact CD2-CZ 3.46Å; L1637-K1812 HydrophobicContact CD2-CB 3.89Å; L1637-K1812 HydrophobicContact CD2-CD 4.42Å; L1637-K1812 HydrophobicContact CD2-CG 4.05Å
1638L68.4Low65.6Low38 Ų3836 Ų3620%0.19920%0.196CC..Hα-helixtrans-71.7-35.4-179.4-146.5160.1000111.6M684 P1634 T1635 E1636 D1640 T1642M684-L1638 HydrophobicContact CE-CB 4.15Å; M684-L1638 HydrophobicContact SD-CB 4.13Å; M684-L1638 HydrophobicContact SD-CD2 3.99Å; M684-L1638 HydrophobicContact SD-CG 4.46Å; P1634-L1638 WeakPolarHBondContact O-CB 3.35Å; P1634-L1638 PolarHBondContact O-N 3.45Å; P1634-L1638 VanDerWaalsContact O-N 3.14Å; T1635-L1638 PolarHBondContact O-N 3.18Å; E1636-L1638 VanDerWaalsContact C-N 3.34Å; E1636-L1638 PolarHBondContact O-N 3.48Å; L1638-D1640 VanDerWaalsContact C-N 3.31Å; L1638-D1640 PolarHBondContact O-N 2.65Å; L1638-T1642 HydrophobicContact CD2-CG2 4.46Å; L1638-T1642 WeakPolarHBondContact O-CG2 3.35Å; L1638-T1642 PolarHBondContact O-N 3.06Å; L1638-T1642 VanDerWaalsContact O-N 3.11Å
1639Y73.9Confident67.1Low25 Ų2534.5 Ų34.510%0.09819%0.19CC..Hα-helixtrans-60.3-41.9168.4-68.7-43.7000111.7L681 M684 L1326 T1635 E1636 T1642 L1643L681-Y1639 HydrophobicContact CD2-CD1 4.39Å; L681-Y1639 HydrophobicContact CD2-CE1 3.74Å; M684-Y1639 HydrophobicContact CE-CD1 3.72Å; M684-Y1639 HydrophobicContact CE-CD2 3.82Å; M684-Y1639 HydrophobicContact CE-CE1 3.38Å; M684-Y1639 HydrophobicContact CE-CE2 3.51Å; M684-Y1639 HydrophobicContact CE-CG 3.92Å; M684-Y1639 HydrophobicContact SD-CD1 3.82Å; M684-Y1639 HydrophobicContact SD-CE1 3.46Å; M684-Y1639 WeakPolarHBondContact SD-CE1 3.11Å; L1326-Y1639 HydrophobicContact CD2-CD1 3.56Å; L1326-Y1639 HydrophobicContact CD2-CE1 4.36Å; L1326-Y1639 HydrophobicContact CD2-CG 3.97Å; T1635-Y1639 PolarHBondContact O-N 3.35Å; E1636-Y1639 PolarHBondContact O-N 3.21Å; Y1639-T1642 PolarHBondContact O-N 2.7Å; Y1639-T1642 VanDerWaalsContact O-N 3.15Å; Y1639-T1642 PolarHBondContact O-OG1 3.14Å; Y1639-L1643 PolarHBondContact O-N 3.26Å
1640D78.3Confident68.9Low0 Ų029.1 Ų29.10%017%0.166CC..Hα-helixtrans-79.5-23.1-174.5-70.414000112.7E1636 L1637 L1638 S1644 K1712 A1714 Y1715 A1811E1636-D1640 PolarHBondContact O-N 2.9Å; L1637-D1640 PolarHBondContact O-N 3.49Å; L1638-D1640 VanDerWaalsContact C-N 3.31Å; L1638-D1640 PolarHBondContact O-N 2.65Å; D1640-S1644 WeakPolarHBondContact O-CB 3.31Å; D1640-S1644 PolarHBondContact O-N 3.27Å; D1640-K1712 WeakPolarHBondContact OD1-CE 3.28Å; D1640-K1712 IonicContact OD1-NZ 3.66Å; D1640-K1712 PolarHBondContact OD1-NZ 2.69Å; D1640-K1712 WeakPolarHBondContact OD2-CE 3.34Å; D1640-K1712 IonicContact OD2-NZ 3.47Å; D1640-K1712 PolarHBondContact OD2-NZ 2.71Å; D1640-A1714 WeakPolarHBondContact OD2-CB 3.39Å; D1640-Y1715 PolarHBondContact O-OH 2.77Å; D1640-A1811 HydrophobicContact CB-CB 3.85Å
1641L76.9Confident71Confident13 Ų1327.8 Ų27.87%0.06816%0.157CC..Hα-helixtrans-64.4-42.4163171.5159.4000112.4L1637 S1644 L1645 M1769 L1772 F1808L1637-L1641 WeakPolarHBondContact O-CB 3.02Å; L1637-L1641 PolarHBondContact O-N 3.29Å; L1641-S1644 PolarHBondContact O-OG 2.82Å; L1641-S1644 VanDerWaalsContact O-OG 3.1Å; L1641-L1645 PolarHBondContact O-N 3.4Å; L1641-M1769 HydrophobicContact CD1-CE 4.12Å; L1641-M1769 HydrophobicContact CD2-CE 3.49Å; L1641-M1769 VanDerWaalsContact CD2-CE 3.49Å; L1641-M1769 HydrophobicContact CG-CE 3.75Å; L1641-L1772 HydrophobicContact CD1-CD1 3.77Å; L1641-L1772 HydrophobicContact CD1-CD2 4.46Å; L1641-L1772 HydrophobicContact CG-CD1 4.17Å; L1641-F1808 HydrophobicContact CB-CD2 3.88Å; L1641-F1808 HydrophobicContact CB-CE2 3.9Å; L1641-F1808 HydrophobicContact CD1-CE2 4.17Å
1642T74.4Confident73Confident5 Ų519.9 Ų19.93%0.03112%0.115CC..Hα-helixtrans-67.7-40.9174.463.70000110.7P680 L1638 Y1639 S1644 L1645 F1646P680-T1642 HydrophobicContact CB-CG2 3.77Å; P680-T1642 HydrophobicContact CG-CG2 3.76Å; L1638-T1642 HydrophobicContact CD2-CG2 4.46Å; L1638-T1642 WeakPolarHBondContact O-CG2 3.35Å; L1638-T1642 PolarHBondContact O-N 3.06Å; L1638-T1642 VanDerWaalsContact O-N 3.11Å; Y1639-T1642 PolarHBondContact O-N 2.7Å; Y1639-T1642 VanDerWaalsContact O-N 3.15Å; Y1639-T1642 PolarHBondContact O-OG1 3.14Å; T1642-S1644 PolarHBondContact O-N 3.15Å; T1642-L1645 PolarHBondContact O-N 3.3Å; T1642-F1646 WeakPolarHBondContact O-CD2 3.41Å; T1642-F1646 PolarHBondContact O-N 3.29Å
1643L82.2Confident74.6Confident0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-63.2-38.4177.8-171.954.5000112.2V1322 L1323 L1326 Y1639 F1646 T1647 F1707 K1712 Y1715V1322-L1643 HydrophobicContact CG1-CD1 3.87Å; L1323-L1643 HydrophobicContact CD2-CD1 3.88Å; L1323-L1643 HydrophobicContact CD2-CD2 3.81Å; L1323-L1643 HydrophobicContact CG-CD1 4.14Å; L1326-L1643 HydrophobicContact CD1-CB 4.32Å; L1326-L1643 HydrophobicContact CD1-CD1 4.35Å; L1326-L1643 HydrophobicContact CD1-CD2 4.22Å; Y1639-L1643 PolarHBondContact O-N 3.26Å; L1643-F1646 PolarHBondContact O-N 2.92Å; L1643-T1647 PolarHBondContact O-N 3.23Å; L1643-T1647 PolarHBondContact O-OG1 3.45Å; L1643-F1707 HydrophobicContact CD1-CE1 4.46Å; L1643-F1707 HydrophobicContact CD1-CZ 4.06Å; L1643-F1707 HydrophobicContact CD2-CE1 3.83Å; L1643-F1707 HydrophobicContact CD2-CZ 4.22Å; L1643-F1707 HydrophobicContact CG-CE1 4.14Å; L1643-F1707 HydrophobicContact CG-CZ 4.04Å; L1643-K1712 HydrophobicContact CD2-CG 4.14Å; L1643-Y1715 HydrophobicContact CD2-CE2 3.9Å
1644S84.6Confident76.4Confident0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-68.3-33.2177.174.90000113.4D1640 L1641 T1642 T1647 L1648D1640-S1644 WeakPolarHBondContact O-CB 3.31Å; D1640-S1644 PolarHBondContact O-N 3.27Å; L1641-S1644 PolarHBondContact O-OG 2.82Å; L1641-S1644 VanDerWaalsContact O-OG 3.1Å; T1642-S1644 PolarHBondContact O-N 3.15Å; S1644-T1647 VanDerWaalsContact C-OG1 3.29Å; S1644-T1647 VanDerWaalsContact CA-OG1 3.24Å; S1644-T1647 WeakPolarHBondContact CA-OG1 3.48Å; S1644-T1647 PolarHBondContact O-OG1 3.44Å; S1644-L1648 PolarHBondContact O-N 3.45Å; S1644-L1648 VanDerWaalsContact O-N 3.13Å
1645L78.4Confident77.8Confident13 Ų1312.4 Ų12.47%0.0687%0.065CC..Hα-helixtrans-66.6-41.5169-72.3-174.8000112.1L564 L1641 T1642 L1648 L1649 M1769L564-L1645 HydrophobicContact CD1-CD1 4.36Å; L1641-L1645 PolarHBondContact O-N 3.4Å; T1642-L1645 PolarHBondContact O-N 3.3Å; L1645-L1648 WeakPolarHBondContact O-CB 3.26Å; L1645-L1648 PolarHBondContact O-N 3.35Å; L1645-L1649 PolarHBondContact O-N 3.17Å; L1645-M1769 HydrophobicContact CD1-CE 3.61Å; L1645-M1769 HydrophobicContact CD2-CE 4.3Å; L1645-M1769 HydrophobicContact CG-CE 4.05Å
1646F78.7Confident78.9Confident5 Ų59.4 Ų9.42%0.0225%0.047CC..Hα-helixtrans-70-34178.9-81.6-70.1000113.1F673 Y676 I677 V1318 V1322 T1642 L1643 L1648 L1649 S1650F673-F1646 HydrophobicContact CB-CE1 4.09Å; F673-F1646 HydrophobicContact CD1-CE1 4.05Å; F673-F1646 HydrophobicContact CD1-CZ 4.17Å; F673-F1646 HydrophobicContact CG-CE1 4.43Å; F673-F1646 WeakPolarHBondContact O-CZ 3.24Å; Y676-F1646 HydrophobicContact CD1-CE2 4.3Å; Y676-F1646 HydrophobicContact CD1-CZ 4.04Å; Y676-F1646 HydrophobicContact CE1-CE2 4.46Å; I677-F1646 HydrophobicContact CD1-CE1 4.1Å; I677-F1646 HydrophobicContact CD1-CZ 3.98Å; I677-F1646 HydrophobicContact CG1-CE1 3.92Å; I677-F1646 HydrophobicContact CG1-CE2 3.77Å; I677-F1646 HydrophobicContact CG1-CZ 3.3Å; V1318-F1646 HydrophobicContact CG1-CD1 3.9Å; V1322-F1646 HydrophobicContact CB-CB 4.44Å; V1322-F1646 HydrophobicContact CB-CD2 4.49Å; V1322-F1646 HydrophobicContact CB-CG 4.38Å; V1322-F1646 HydrophobicContact CG1-CB 4.15Å; V1322-F1646 HydrophobicContact CG1-CD2 3.88Å; V1322-F1646 HydrophobicContact CG1-CG 4.13Å; V1322-F1646 HydrophobicContact CG2-CB 3.85Å; V1322-F1646 HydrophobicContact CG2-CD1 3.59Å; V1322-F1646 HydrophobicContact CG2-CD2 3.72Å; V1322-F1646 HydrophobicContact CG2-CE1 4.06Å; V1322-F1646 HydrophobicContact CG2-CE2 4.2Å; V1322-F1646 HydrophobicContact CG2-CG 3.43Å; V1322-F1646 VanDerWaalsContact CG2-CG 3.43Å; V1322-F1646 HydrophobicContact CG2-CZ 4.36Å; T1642-F1646 WeakPolarHBondContact O-CD2 3.41Å; T1642-F1646 PolarHBondContact O-N 3.29Å; L1643-F1646 PolarHBondContact O-N 2.92Å; F1646-L1648 VanDerWaalsContact C-N 3.34Å; F1646-L1649 HydrophobicContact CD1-CD2 3.98Å; F1646-L1649 HydrophobicContact CE1-CD2 4.16Å; F1646-L1649 PolarHBondContact O-N 3.19Å; F1646-S1650 WeakPolarHBondContact O-CB 3.42Å; F1646-S1650 PolarHBondContact O-N 2.87Å
1647T83.8Confident79.5Confident3 Ų37.3 Ų7.32%0.0184%0.037CC..Hα-helixtrans-63.9-37.3167.7440000112.7L1319 L1643 S1644 S1650 L1651 F1707 L1807L1319-T1647 HydrophobicContact CD2-CG2 3.64Å; L1643-T1647 PolarHBondContact O-N 3.23Å; L1643-T1647 PolarHBondContact O-OG1 3.45Å; S1644-T1647 VanDerWaalsContact C-OG1 3.29Å; S1644-T1647 VanDerWaalsContact CA-OG1 3.24Å; S1644-T1647 WeakPolarHBondContact CA-OG1 3.48Å; S1644-T1647 PolarHBondContact O-OG1 3.44Å; T1647-S1650 WeakPolarHBondContact O-CB 3.46Å; T1647-S1650 PolarHBondContact O-N 3.32Å; T1647-L1651 WeakPolarHBondContact O-CB 3.36Å; T1647-L1651 WeakPolarHBondContact O-CG 3.32Å; T1647-L1651 PolarHBondContact O-N 3.26Å; T1647-F1707 HydrophobicContact CG2-CE2 3.66Å; T1647-F1707 HydrophobicContact CG2-CZ 3.53Å; T1647-L1807 HydrophobicContact CG2-CD1 4.29Å; T1647-L1807 WeakPolarHBondContact OG1-CD1 3.33Å
1648L84.4Confident80.3Confident1 Ų16.4 Ų6.41%0.0053%0.033CC..Hα-helixtrans-64.7-47.5175.3170.969000111S1644 L1645 F1646 S1650 L1651 S1652 G1764 Q1800 L1803S1644-L1648 PolarHBondContact O-N 3.45Å; S1644-L1648 VanDerWaalsContact O-N 3.13Å; L1645-L1648 WeakPolarHBondContact O-CB 3.26Å; L1645-L1648 PolarHBondContact O-N 3.35Å; F1646-L1648 VanDerWaalsContact C-N 3.34Å; L1648-S1650 VanDerWaalsContact C-N 3.35Å; L1648-S1650 PolarHBondContact O-N 3.2Å; L1648-L1651 PolarHBondContact O-N 3.05Å; L1648-S1652 WeakPolarHBondContact O-CB 3.25Å; L1648-S1652 PolarHBondContact O-N 3.24Å; L1648-S1652 PolarHBondContact O-OG 3.07Å; L1648-G1764 VanDerWaalsContact CD2-C 3.41Å; L1648-Q1800 HydrophobicContact CD1-CB 3.89Å; L1648-Q1800 HydrophobicContact CD1-CG 4.32Å; L1648-L1803 HydrophobicContact CD1-CD2 4.19Å
1649L76.2Confident81.1Confident10 Ų104.7 Ų4.75%0.0522%0.023CC..Hα-helixtrans-55.7-50.2173.8166.461.6000111.1L670 F673 V1318 L1645 F1646 L1651 S1652 L1653 L1761L670-L1649 HydrophobicContact CD2-CD1 3.96Å; L670-L1649 HydrophobicContact CD2-CD2 4.06Å; L670-L1649 HydrophobicContact CD2-CG 4.17Å; F673-L1649 HydrophobicContact CB-CD2 3.63Å; F673-L1649 HydrophobicContact CD1-CD2 4.33Å; F673-L1649 HydrophobicContact CD2-CD1 4.32Å; F673-L1649 HydrophobicContact CD2-CD2 3.82Å; F673-L1649 HydrophobicContact CG-CD2 3.66Å; V1318-L1649 HydrophobicContact CG1-CD2 4.33Å; L1645-L1649 PolarHBondContact O-N 3.17Å; F1646-L1649 HydrophobicContact CD1-CD2 3.98Å; F1646-L1649 HydrophobicContact CE1-CD2 4.16Å; F1646-L1649 PolarHBondContact O-N 3.19Å; L1649-L1651 PolarHBondContact O-N 3.42Å; L1649-S1652 PolarHBondContact O-OG 3.02Å; L1649-L1653 HydrophobicContact CD1-CD1 4Å; L1649-L1653 WeakPolarHBondContact O-CD1 3.34Å; L1649-L1653 WeakPolarHBondContact O-CG 3.2Å; L1649-L1761 HydrophobicContact CB-CD1 3.85Å; L1649-L1761 HydrophobicContact CD1-CD1 3.44Å; L1649-L1761 VanDerWaalsContact CD1-CD1 3.44Å; L1649-L1761 HydrophobicContact CG-CD1 4.14Å
1650S81.6Confident81.3Confident0 Ų04.6 Ų4.60%03%0.027CC..Hα-helixtrans-54.4-51.8177.9-179.50000112.4P1315 L1319 F1646 T1647 L1648P1315-S1650 WeakPolarHBondContact CA-OG 3.49Å; P1315-S1650 WeakPolarHBondContact CB-OG 3.44Å; P1315-S1650 PolarHBondContact O-OG 3.05Å; L1319-S1650 WeakPolarHBondContact CD1-OG 3.45Å; F1646-S1650 WeakPolarHBondContact O-CB 3.42Å; F1646-S1650 PolarHBondContact O-N 2.87Å; T1647-S1650 WeakPolarHBondContact O-CB 3.46Å; T1647-S1650 PolarHBondContact O-N 3.32Å; L1648-S1650 VanDerWaalsContact C-N 3.35Å; L1648-S1650 PolarHBondContact O-N 3.2Å
1651L84.7Confident81.7Confident3 Ų34.7 Ų4.72%0.0163%0.027CC..Hα-helixtrans-84-22.3-173.6-65.3171.1000114T1647 L1648 L1649 I1654 P1655 Y1696 I1728 Y1731 L1803T1647-L1651 WeakPolarHBondContact O-CB 3.36Å; T1647-L1651 WeakPolarHBondContact O-CG 3.32Å; T1647-L1651 PolarHBondContact O-N 3.26Å; L1648-L1651 PolarHBondContact O-N 3.05Å; L1649-L1651 PolarHBondContact O-N 3.42Å; L1651-I1654 HydrophobicContact CD2-CD1 4.23Å; L1651-P1655 WeakPolarHBondContact O-CD 3.06Å; L1651-Y1696 HydrophobicContact CD2-CE2 4.26Å; L1651-I1728 HydrophobicContact CD1-CG1 4.27Å; L1651-I1728 HydrophobicContact CD1-CG2 4.02Å; L1651-Y1731 HydrophobicContact CB-CD1 4.34Å; L1651-Y1731 HydrophobicContact CB-CE1 3.97Å; L1651-L1803 HydrophobicContact CB-CD2 4.28Å; L1651-L1803 HydrophobicContact CD1-CD1 4.33Å; L1651-L1803 HydrophobicContact CD1-CD2 4Å
1652S82.3Confident82.2Confident1 Ų14.1 Ų4.11%0.0072%0.024CC..Hα-helixtrans-80.4-17.4-179.960.20000114.6L1648 L1649L1648-S1652 WeakPolarHBondContact O-CB 3.25Å; L1648-S1652 PolarHBondContact O-N 3.24Å; L1648-S1652 PolarHBondContact O-OG 3.07Å; L1649-S1652 PolarHBondContact O-OG 3.02Å
1653L79Confident82.6Confident8 Ų84 Ų44%0.0422%0.023CC..Hα-helixtrans-71-36.8173.4-77.5161.9000112.7I666 L670 L1649 A1656 S1657I666-L1653 HydrophobicContact CG2-CD2 3.79Å; L670-L1653 HydrophobicContact CD1-CD1 3.92Å; L670-L1653 HydrophobicContact CD2-CD1 3.99Å; L670-L1653 HydrophobicContact CG-CD1 4.29Å; L1649-L1653 HydrophobicContact CD1-CD1 4Å; L1649-L1653 WeakPolarHBondContact O-CD1 3.34Å; L1649-L1653 WeakPolarHBondContact O-CG 3.2Å; L1653-A1656 PolarHBondContact O-N 3.45Å; L1653-S1657 PolarHBondContact O-N 2.95Å
1654I85.2Confident82.6Confident0 Ų06.2 Ų6.20%03%0.033CC..Hα-helixtrans-63.8-51.3-172.4-51.4166.3000111.1P1315 L1651 A1656 S1657 F1658 Y1696 C1699P1315-I1654 HydrophobicContact CB-CD1 4.37Å; P1315-I1654 HydrophobicContact CG-CD1 3.99Å; P1315-I1654 HydrophobicContact CG-CG1 3.81Å; L1651-I1654 HydrophobicContact CD2-CD1 4.23Å; I1654-A1656 VanDerWaalsContact C-N 3.27Å; I1654-A1656 PolarHBondContact O-N 3.29Å; I1654-S1657 WeakPolarHBondContact O-CB 3.3Å; I1654-S1657 PolarHBondContact O-N 3.03Å; I1654-S1657 VanDerWaalsContact O-N 3.1Å; I1654-S1657 PolarHBondContact O-OG 3.01Å; I1654-F1658 HydrophobicContact CG2-CE1 4.16Å; I1654-F1658 HydrophobicContact CG2-CE2 3.97Å; I1654-F1658 HydrophobicContact CG2-CZ 3.52Å; I1654-Y1696 HydrophobicContact CB-CD2 4.47Å; I1654-Y1696 HydrophobicContact CG2-CD2 4.31Å; I1654-C1699 HydrophobicContact CD1-CB 3.65Å
1655P85.6Confident82.7Confident1 Ų16.2 Ų6.21%0.0063%0.033CC..Hα-helixtrans-62.2-30.2178.2-23.935.5000114.2L1651 S1657 I1735 I1736 L1739L1651-P1655 WeakPolarHBondContact O-CD 3.06Å; P1655-S1657 VanDerWaalsContact C-N 3.3Å; P1655-S1657 PolarHBondContact O-N 3.46Å; P1655-I1735 HydrophobicContact CB-CG1 4.39Å; P1655-I1735 HydrophobicContact CB-CG2 4.07Å; P1655-I1735 HydrophobicContact CG-CG1 4.23Å; P1655-I1735 HydrophobicContact CG-CG2 3.46Å; P1655-I1735 VanDerWaalsContact CG-CG2 3.46Å; P1655-I1736 HydrophobicContact CB-CG1 4.2Å; P1655-I1736 HydrophobicContact CG-CG1 4.49Å; P1655-L1739 HydrophobicContact CB-CD1 3.59Å
1656A79.7Confident82.8Confident1 Ų18.2 Ų8.21%0.0084%0.044CC..Hα-helixtrans-67.2-31.9177.300000112L1653 I1654 I1659 S1660 L1753 L1756L1653-A1656 PolarHBondContact O-N 3.45Å; I1654-A1656 VanDerWaalsContact C-N 3.27Å; I1654-A1656 PolarHBondContact O-N 3.29Å; A1656-I1659 PolarHBondContact O-N 3.13Å; A1656-S1660 PolarHBondContact O-N 3.03Å; A1656-L1753 HydrophobicContact CB-CD1 4.42Å; A1656-L1753 VanDerWaalsContact O-CD1 3.32Å; A1656-L1753 WeakPolarHBondContact O-CD1 3.21Å; A1656-L1756 HydrophobicContact CB-CB 4.11Å
1657S81.7Confident82.7Confident4 Ų413.1 Ų13.13%0.0287%0.07CC..Hα-helixtrans-62.3-47.617874.60000112.7E1311 L1653 I1654 P1655 I1659 S1660 L1753E1311-S1657 WeakPolarHBondContact CG-OG 3.44Å; E1311-S1657 PolarHBondContact OE1-OG 3.34Å; L1653-S1657 PolarHBondContact O-N 2.95Å; I1654-S1657 WeakPolarHBondContact O-CB 3.3Å; I1654-S1657 PolarHBondContact O-N 3.03Å; I1654-S1657 VanDerWaalsContact O-N 3.1Å; I1654-S1657 PolarHBondContact O-OG 3.01Å; P1655-S1657 VanDerWaalsContact C-N 3.3Å; P1655-S1657 PolarHBondContact O-N 3.46Å; S1657-I1659 PolarHBondContact O-N 3.29Å; S1657-S1660 WeakPolarHBondContact O-CB 3.35Å; S1657-S1660 PolarHBondContact O-N 2.94Å; S1657-S1660 VanDerWaalsContact O-N 3.11Å; S1657-L1753 VanDerWaalsContact CA-CD1 3.4Å
1658F86.3Confident82.5Confident4 Ų414.5 Ų14.52%0.0188%0.077CC..Hα-helixtrans-58.8-33.1-179.8-54.9-28.5000112.7E1311 I1654 F1661 L1662 D1692 N1695 I1736E1311-F1658 HydrophobicContact CG-CE1 4.02Å; I1654-F1658 HydrophobicContact CG2-CE1 4.16Å; I1654-F1658 HydrophobicContact CG2-CE2 3.97Å; I1654-F1658 HydrophobicContact CG2-CZ 3.52Å; F1658-F1661 WeakPolarHBondContact O-CB 3.49Å; F1658-F1661 PolarHBondContact O-N 3.14Å; F1658-L1662 PolarHBondContact O-N 3.37Å; F1658-D1692 HydrophobicContact CB-CB 4.4Å; F1658-D1692 WeakPolarHBondContact CB-OD2 3.47Å; F1658-D1692 WeakPolarHBondContact CD1-OD1 3.46Å; F1658-D1692 HydrophobicContact CD2-CB 3.5Å; F1658-D1692 HydrophobicContact CE2-CB 3.79Å; F1658-D1692 WeakPolarHBondContact CE2-O 3.11Å; F1658-D1692 HydrophobicContact CG-CB 3.95Å; F1658-D1692 VanDerWaalsContact CG-CG 3.48Å; F1658-D1692 WeakPolarHBondContact CG-OD1 3.21Å; F1658-D1692 HydrophobicContact CZ-CB 4.47Å; F1658-N1695 HydrophobicContact CE1-CB 4.06Å; F1658-N1695 HydrophobicContact CZ-CB 3.8Å; F1658-I1736 HydrophobicContact CD2-CD1 4.29Å; F1658-I1736 HydrophobicContact CD2-CG1 4.43Å; F1658-I1736 HydrophobicContact CE2-CD1 4.11Å
1659I85.9Confident82.3Confident1 Ų115.8 Ų15.81%0.0059%0.09CC..Hα-helixtrans-79.2-23.2-178.6-76159.3000113.3A1656 S1657 F1661 L1662 V1663 L1739 Y1740 T1743 L1756A1656-I1659 PolarHBondContact O-N 3.13Å; S1657-I1659 PolarHBondContact O-N 3.29Å; I1659-F1661 PolarHBondContact O-N 3.44Å; I1659-L1662 HydrophobicContact CG1-CD1 4.3Å; I1659-L1662 PolarHBondContact O-N 2.8Å; I1659-V1663 HydrophobicContact CG2-CG2 4.14Å; I1659-V1663 WeakPolarHBondContact O-CG2 3.32Å; I1659-V1663 PolarHBondContact O-N 3.34Å; I1659-L1739 HydrophobicContact CD1-CB 3.15Å; I1659-L1739 HydrophobicContact CD1-CD1 4.42Å; I1659-L1739 HydrophobicContact CD1-CG 4.41Å; I1659-L1739 WeakPolarHBondContact CD1-O 2.98Å; I1659-Y1740 HydrophobicContact CD1-CD1 4.01Å; I1659-Y1740 HydrophobicContact CG1-CD1 3.82Å; I1659-Y1740 HydrophobicContact CG1-CE1 4.18Å; I1659-T1743 HydrophobicContact CG1-CG2 4.26Å; I1659-T1743 HydrophobicContact CG2-CG2 3.81Å; I1659-L1756 HydrophobicContact CB-CD1 4.13Å; I1659-L1756 HydrophobicContact CD1-CD1 4.18Å; I1659-L1756 HydrophobicContact CG2-CD1 3.42Å; I1659-L1756 VanDerWaalsContact CG2-CD1 3.42Å
1660S78.5Confident82.7Confident24 Ų2415.3 Ų15.317%0.1689%0.088CC..Hα-helixtrans-61-36.7169.5-167.40000111.2A1656 S1657 K1664 P1749A1656-S1660 PolarHBondContact O-N 3.03Å; S1657-S1660 WeakPolarHBondContact O-CB 3.35Å; S1657-S1660 PolarHBondContact O-N 2.94Å; S1657-S1660 VanDerWaalsContact O-N 3.11Å; S1660-K1664 VanDerWaalsContact O-CB 3.29Å; S1660-K1664 WeakPolarHBondContact O-CB 3.44Å; S1660-K1664 PolarHBondContact O-N 3.37Å; S1660-K1664 VanDerWaalsContact O-N 3.16Å; S1660-P1749 WeakPolarHBondContact CB-O 3.36Å; S1660-P1749 VanDerWaalsContact O-CB 3.32Å; S1660-P1749 WeakPolarHBondContact O-CB 3.35Å; S1660-P1749 PolarHBondContact OG-O 3.03Å
1661F84.7Confident83Confident2 Ų215.9 Ų15.91%0.0099%0.09CC..Hα-helixtrans-65.8-51.2172.7174.8-92.4000112.2Y1300 F1658 I1659 V1663 K1664 E1665 H2050Y1300-F1661 AromaticContact CD1-CD2 3.87Å; Y1300-F1661 HydrophobicContact CD1-CD2 3.87Å; Y1300-F1661 HydrophobicContact CD1-CE2 4.26Å; Y1300-F1661 AromaticContact CD2-CD2 3.63Å; Y1300-F1661 HydrophobicContact CD2-CD2 3.63Å; Y1300-F1661 AromaticContact CD2-CE2 3.78Å; Y1300-F1661 HydrophobicContact CD2-CE2 3.78Å; Y1300-F1661 HydrophobicContact CE1-CB 4.36Å; Y1300-F1661 AromaticContact CE1-CD2 3.9Å; Y1300-F1661 HydrophobicContact CE1-CD2 3.9Å; Y1300-F1661 HydrophobicContact CE1-CG 4.45Å; Y1300-F1661 AromaticContact CE2-CD2 3.63Å; Y1300-F1661 HydrophobicContact CE2-CD2 3.63Å; Y1300-F1661 HydrophobicContact CE2-CE2 4.24Å; Y1300-F1661 AromaticContact CG-CD2 3.76Å; Y1300-F1661 HydrophobicContact CG-CD2 3.76Å; Y1300-F1661 AromaticContact CG-CE2 3.8Å; Y1300-F1661 HydrophobicContact CG-CE2 3.8Å; Y1300-F1661 AromaticContact CZ-CD2 3.78Å; F1658-F1661 WeakPolarHBondContact O-CB 3.49Å; F1658-F1661 PolarHBondContact O-N 3.14Å; I1659-F1661 PolarHBondContact O-N 3.44Å; F1661-V1663 PolarHBondContact O-N 3.15Å; F1661-K1664 WeakPolarHBondContact O-CA 3.25Å; F1661-K1664 VanDerWaalsContact O-CB 3.3Å; F1661-K1664 WeakPolarHBondContact O-CB 3.46Å; F1661-K1664 PolarHBondContact O-N 2.72Å; F1661-E1665 HydrophobicContact CD1-CG 4.33Å; F1661-E1665 HydrophobicContact CE1-CG 3.86Å; F1661-E1665 WeakPolarHBondContact CE1-OE2 3.4Å; F1661-E1665 HydrophobicContact CE2-CG 4.36Å; F1661-E1665 HydrophobicContact CZ-CG 3.88Å; F1661-E1665 WeakPolarHBondContact CZ-OE1 3.33Å; F1661-E1665 PolarHBondContact O-N 3.06Å; F1661-H2050 AromaticContact CD2-NE2 3.69Å; F1661-H2050 AromaticContact CE2-CD2 3.87Å; F1661-H2050 AromaticContact CE2-NE2 3.48Å; F1661-H2050 WeakPolarHBondContact CE2-NE2 3.45Å
1662L87.6Confident83Confident0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-61.2-42.2-178.3-71.3164.6000113.1F1658 I1659 K1664 E1665 N1666 Y1684 W1685 N1688 Y1740 T1743F1658-L1662 PolarHBondContact O-N 3.37Å; I1659-L1662 HydrophobicContact CG1-CD1 4.3Å; I1659-L1662 PolarHBondContact O-N 2.8Å; L1662-K1664 PolarHBondContact O-N 3.16Å; L1662-E1665 PolarHBondContact O-N 3.22Å; L1662-N1666 PolarHBondContact O-N 3.07Å; L1662-Y1684 HydrophobicContact CD2-CE1 4.25Å; L1662-Y1684 WeakPolarHBondContact CD2-OH 3.37Å; L1662-W1685 HydrophobicContact CD1-CZ3 4.29Å; L1662-W1685 HydrophobicContact CD2-CZ3 4.41Å; L1662-N1688 HydrophobicContact CD2-CB 4.3Å; L1662-Y1740 HydrophobicContact CD1-CD1 3.61Å; L1662-Y1740 HydrophobicContact CD1-CE1 3.24Å; L1662-Y1740 HydrophobicContact CD1-CE2 4.44Å; L1662-Y1740 HydrophobicContact CD1-CG 4.34Å; L1662-T1743 HydrophobicContact CB-CG2 4.08Å
1663V84.2Confident83.2Confident2 Ų218.1 Ų18.11%0.01210%0.099CC..Hα-helixtrans-66.9-28.4174.2178.20000111I1659 F1661 N1666 N1667 T1743 I1746 P1749I1659-V1663 HydrophobicContact CG2-CG2 4.14Å; I1659-V1663 WeakPolarHBondContact O-CG2 3.32Å; I1659-V1663 PolarHBondContact O-N 3.34Å; F1661-V1663 PolarHBondContact O-N 3.15Å; V1663-N1666 PolarHBondContact O-N 2.87Å; V1663-N1667 WeakPolarHBondContact O-CB 3.4Å; V1663-N1667 PolarHBondContact O-N 3.44Å; V1663-T1743 HydrophobicContact CG2-CG2 4.07Å; V1663-I1746 WeakPolarHBondContact CG1-O 3.37Å; V1663-P1749 HydrophobicContact CB-CB 4Å; V1663-P1749 VanDerWaalsContact CG1-CA 3.5Å; V1663-P1749 HydrophobicContact CG1-CB 3.9Å
1664K82.1Confident83.6Confident47 Ų4717.8 Ų17.820%0.20410%0.097CC..Hα-helixtrans-71.9-41.9177.5-175.3171.1-178.3166.80111.5S1660 F1661 L1662 N1666 N1667 I1668 P1749 D2051S1660-K1664 VanDerWaalsContact O-CB 3.29Å; S1660-K1664 WeakPolarHBondContact O-CB 3.44Å; S1660-K1664 PolarHBondContact O-N 3.37Å; S1660-K1664 VanDerWaalsContact O-N 3.16Å; F1661-K1664 WeakPolarHBondContact O-CA 3.25Å; F1661-K1664 VanDerWaalsContact O-CB 3.3Å; F1661-K1664 WeakPolarHBondContact O-CB 3.46Å; F1661-K1664 PolarHBondContact O-N 2.72Å; L1662-K1664 PolarHBondContact O-N 3.16Å; K1664-N1666 VanDerWaalsContact C-N 3.27Å; K1664-N1666 PolarHBondContact O-N 3.17Å; K1664-N1667 PolarHBondContact O-N 3.31Å; K1664-I1668 HydrophobicContact CD-CD1 4.29Å; K1664-I1668 HydrophobicContact CG-CD1 3.72Å; K1664-I1668 HydrophobicContact CG-CG1 4.3Å; K1664-I1668 WeakPolarHBondContact O-CB 3.45Å; K1664-I1668 WeakPolarHBondContact O-CG1 3.37Å; K1664-I1668 PolarHBondContact O-N 3.44Å; K1664-P1749 HydrophobicContact CB-CB 3.73Å; K1664-P1749 HydrophobicContact CB-CG 4.03Å; K1664-P1749 HydrophobicContact CG-CG 4.39Å; K1664-D2051 WeakPolarHBondContact CE-OD2 3.49Å; K1664-D2051 IonicContact NZ-OD2 2.9Å; K1664-D2051 PolarHBondContact NZ-OD2 3.03Å
1665E85.5Confident83.6Confident0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-62.6-33.6173.3-62.7-162126.900112.7K1296 F1661 L1662 G1669 S1670 K1671 Y1684K1296-E1665 VanDerWaalsContact CE-OE1 3.27Å; K1296-E1665 WeakPolarHBondContact CE-OE1 3.47Å; K1296-E1665 IonicContact NZ-OE1 3.82Å; K1296-E1665 PolarHBondContact NZ-OE1 2.83Å; F1661-E1665 HydrophobicContact CD1-CG 4.33Å; F1661-E1665 HydrophobicContact CE1-CG 3.86Å; F1661-E1665 WeakPolarHBondContact CE1-OE2 3.4Å; F1661-E1665 HydrophobicContact CE2-CG 4.36Å; F1661-E1665 HydrophobicContact CZ-CG 3.88Å; F1661-E1665 WeakPolarHBondContact CZ-OE1 3.33Å; F1661-E1665 PolarHBondContact O-N 3.06Å; L1662-E1665 PolarHBondContact O-N 3.22Å; E1665-G1669 CarbonylContact O-C 3.59Å; E1665-G1669 PolarHBondContact O-N 3.18Å; E1665-S1670 PolarHBondContact O-N 3.1Å; E1665-K1671 HydrophobicContact CB-CB 4.34Å; E1665-K1671 PolarHBondContact O-N 3.01Å; E1665-Y1684 WeakPolarHBondContact OE2-CE2 3.36Å; E1665-Y1684 PolarHBondContact OE2-OH 3.04Å
1666N81.6Confident83.4Confident56 Ų5620.3 Ų20.330%0.29911%0.108SC..Hα-helixtrans-67.8-49.3172.5-70.8-19.7000111.6L1662 V1663 K1664 G1669 K1671L1662-N1666 PolarHBondContact O-N 3.07Å; V1663-N1666 PolarHBondContact O-N 2.87Å; K1664-N1666 VanDerWaalsContact C-N 3.27Å; K1664-N1666 PolarHBondContact O-N 3.17Å; N1666-G1669 PolarHBondContact O-N 3.37Å; N1666-G1669 VanDerWaalsContact O-N 3.08Å; N1666-K1671 WeakPolarHBondContact OD1-CD 3.49Å
1667N76.6Confident83.5Confident107 Ų10720.8 Ų20.857%0.57211%0.111SC*.Hα-helixtrans-70.8-32.1-176-171.564.9000113.4V1663 K1664 G1669V1663-N1667 WeakPolarHBondContact O-CB 3.4Å; V1663-N1667 PolarHBondContact O-N 3.44Å; K1664-N1667 PolarHBondContact O-N 3.31Å; N1667-G1669 VanDerWaalsContact C-N 3.27Å
1668I79.8Confident83.4Confident33 Ų3322.4 Ų22.417%0.16913%0.129CC..SBendtrans-76.1-17.7170.7-68.9178.5000111.3K1664 S1670 A2048K1664-I1668 HydrophobicContact CD-CD1 4.29Å; K1664-I1668 HydrophobicContact CG-CD1 3.72Å; K1664-I1668 HydrophobicContact CG-CG1 4.3Å; K1664-I1668 WeakPolarHBondContact O-CB 3.45Å; K1664-I1668 WeakPolarHBondContact O-CG1 3.37Å; K1664-I1668 PolarHBondContact O-N 3.44Å; I1668-S1670 PolarHBondContact O-N 3.2Å; I1668-A2048 VanDerWaalsContact CG2-C 3.43Å; I1668-A2048 HydrophobicContact CG2-CB 4.42Å; I1668-A2048 WeakPolarHBondContact O-CA 3.37Å; I1668-A2048 WeakPolarHBondContact O-CB 3.45Å
1669G79.1Confident83.4Confident27 Ų2722.6 Ų22.628%0.27813%0.13SC..SBendtrans76.32.1-174.200000114.4E1665 N1666 N1667 K1671 Y1672 L1673E1665-G1669 CarbonylContact O-C 3.59Å; E1665-G1669 PolarHBondContact O-N 3.18Å; N1666-G1669 PolarHBondContact O-N 3.37Å; N1666-G1669 VanDerWaalsContact O-N 3.08Å; N1667-G1669 VanDerWaalsContact C-N 3.27Å; G1669-K1671 PolarHBondContact O-N 2.88Å; G1669-Y1672 PolarHBondContact O-N 3.27Å; G1669-L1673 PolarHBondContact O-N 3.03Å
1670S85.5Confident83.3Confident1 Ų127.9 Ų27.91%0.00715%0.153CC..Hα-helixtrans-59.7-33.4-17773.60000112.6E1665 I1668 Y1672 L1673 Q1674 A2048E1665-S1670 PolarHBondContact O-N 3.1Å; I1668-S1670 PolarHBondContact O-N 3.2Å; S1670-Y1672 VanDerWaalsContact C-N 3.33Å; S1670-Y1672 PolarHBondContact O-N 3.48Å; S1670-L1673 PolarHBondContact O-N 3.37Å; S1670-Q1674 VanDerWaalsContact O-CG 3.31Å; S1670-Q1674 WeakPolarHBondContact O-CG 3.48Å; S1670-Q1674 PolarHBondContact O-N 2.98Å; S1670-Q1674 PolarHBondContact O-OE1 2.69Å; S1670-A2048 VanDerWaalsContact CB-O 3.23Å; S1670-A2048 WeakPolarHBondContact CB-O 3.12Å
1671K87Confident83.5Confident11 Ų1127.9 Ų27.95%0.04815%0.153CC..Hα-helixtrans-58.4-44.3175.2179-174.4174.9-172.80111.7E1665 N1666 G1669 Q1674 Y1675 Y1684 E1868E1665-K1671 HydrophobicContact CB-CB 4.34Å; E1665-K1671 PolarHBondContact O-N 3.01Å; N1666-K1671 WeakPolarHBondContact OD1-CD 3.49Å; G1669-K1671 PolarHBondContact O-N 2.88Å; K1671-Q1674 PolarHBondContact O-N 3.44Å; K1671-Y1675 WeakPolarHBondContact CE-OH 3.36Å; K1671-Y1675 HydrophobicContact CG-CE2 4.23Å; K1671-Y1675 PolarHBondContact O-N 3.32Å; K1671-Y1675 VanDerWaalsContact O-N 3.16Å; K1671-Y1684 HydrophobicContact CB-CE2 4.39Å; K1671-Y1684 HydrophobicContact CD-CE1 3.87Å; K1671-Y1684 HydrophobicContact CD-CE2 4.28Å; K1671-Y1684 HydrophobicContact CG-CD2 4.39Å; K1671-Y1684 HydrophobicContact CG-CE1 4.27Å; K1671-Y1684 HydrophobicContact CG-CE2 3.83Å; K1671-E1868 WeakPolarHBondContact CE-OE1 3.45Å; K1671-E1868 IonicContact NZ-OE1 3.93Å; K1671-E1868 PolarHBondContact NZ-OE1 3.1Å; K1671-E1868 IonicContact NZ-OE2 3.78Å; K1671-E1868 PolarHBondContact NZ-OE2 3.45Å
1672Y84.7Confident83.7Confident46 Ų4632.9 Ų32.918%0.1818%0.175CC..Hα-helixtrans-66.9-42.2176.9174.3-106.9000111.5G1669 S1670 Q1674 Y1675 V1676 T2012 K2014 Y2042G1669-Y1672 PolarHBondContact O-N 3.27Å; S1670-Y1672 VanDerWaalsContact C-N 3.33Å; S1670-Y1672 PolarHBondContact O-N 3.48Å; Y1672-Q1674 PolarHBondContact O-N 3.34Å; Y1672-Y1675 WeakPolarHBondContact O-CB 3.23Å; Y1672-Y1675 PolarHBondContact O-N 3.02Å; Y1672-Y1675 VanDerWaalsContact O-N 3.08Å; Y1672-V1676 HydrophobicContact CD1-CG2 4.29Å; Y1672-V1676 HydrophobicContact CE1-CG2 3.62Å; Y1672-V1676 HydrophobicContact CE2-CG2 3.85Å; Y1672-V1676 PolarHBondContact O-N 2.98Å; Y1672-V1676 VanDerWaalsContact OH-CG2 3.32Å; Y1672-V1676 WeakPolarHBondContact OH-CG2 3.47Å; Y1672-T2012 WeakPolarHBondContact OH-CB 3.04Å; Y1672-T2012 PolarHBondContact OH-O 2.84Å; Y1672-T2012 PolarHBondContact OH-OG1 2.91Å; Y1672-K2014 HydrophobicContact CD1-CD 4.07Å; Y1672-K2014 HydrophobicContact CD2-CD 4.34Å; Y1672-K2014 HydrophobicContact CD2-CG 3.94Å; Y1672-K2014 HydrophobicContact CE1-CB 4.3Å; Y1672-K2014 HydrophobicContact CE1-CD 3.84Å; Y1672-K2014 HydrophobicContact CE1-CG 4.16Å; Y1672-K2014 HydrophobicContact CE2-CB 3.76Å; Y1672-K2014 HydrophobicContact CE2-CD 4.15Å; Y1672-K2014 HydrophobicContact CE2-CG 3.57Å; Y1672-K2014 HydrophobicContact CG-CD 4.33Å; Y1672-K2014 HydrophobicContact CG-CG 4.43Å; Y1672-K2014 WeakPolarHBondContact OH-CB 3.48Å; Y1672-Y2042 HydrophobicContact CE1-CD1 4.4Å; Y1672-Y2042 HydrophobicContact CE1-CE1 4.09Å
1673L86.2Confident83.8Confident6 Ų633.7 Ų33.73%0.03118%0.179CC..Hα-helixtrans-62.2-31.9176-171.561.2000112.3G1669 S1670 S1677 A2048 Y2062 I2109G1669-L1673 PolarHBondContact O-N 3.03Å; S1670-L1673 PolarHBondContact O-N 3.37Å; L1673-S1677 WeakPolarHBondContact O-CB 3.21Å; L1673-S1677 PolarHBondContact O-N 3.46Å; L1673-S1677 PolarHBondContact O-OG 3.28Å; L1673-A2048 HydrophobicContact CD2-CB 3.98Å; L1673-Y2062 HydrophobicContact CD2-CE1 4.3Å; L1673-Y2062 HydrophobicContact CG-CE1 4.03Å; L1673-I2109 HydrophobicContact CD2-CG2 4.02Å
1674Q88.6Confident84.1Confident0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-69.3-36.6172.7-70.3173.7-73.200112.9M1293 K1296 S1670 K1671 Y1672 S1677 G1678 L1679 Y2062 L2065M1293-Q1674 PolarHBondContact SD-NE2 3.49Å; K1296-Q1674 VanDerWaalsContact NZ-CD 3.29Å; K1296-Q1674 VanDerWaalsContact NZ-NE2 3.19Å; S1670-Q1674 VanDerWaalsContact O-CG 3.31Å; S1670-Q1674 WeakPolarHBondContact O-CG 3.48Å; S1670-Q1674 PolarHBondContact O-N 2.98Å; S1670-Q1674 PolarHBondContact O-OE1 2.69Å; K1671-Q1674 PolarHBondContact O-N 3.44Å; Y1672-Q1674 PolarHBondContact O-N 3.34Å; Q1674-S1677 CarbonylContact O-C 3.57Å; Q1674-S1677 PolarHBondContact O-N 3Å; Q1674-G1678 PolarHBondContact O-N 3.36Å; Q1674-L1679 HydrophobicContact CB-CB 4.35Å; Q1674-L1679 HydrophobicContact CB-CD2 3.99Å; Q1674-L1679 WeakPolarHBondContact O-CB 3.06Å; Q1674-L1679 PolarHBondContact O-N 2.81Å; Q1674-Y2062 HydrophobicContact CG-CE1 4.02Å; Q1674-L2065 HydrophobicContact CB-CD1 4.07Å; Q1674-L2065 HydrophobicContact CG-CD1 3.77Å
1675Y84.9Confident84.6Confident47 Ų4731.5 Ų31.518%0.18417%0.169CC..Hα-helixtrans-66.4-43.2172.4-66.7-21.1000112K1671 Y1672 S1677 G1678 L1679 Y1684 E1868K1671-Y1675 WeakPolarHBondContact CE-OH 3.36Å; K1671-Y1675 HydrophobicContact CG-CE2 4.23Å; K1671-Y1675 PolarHBondContact O-N 3.32Å; K1671-Y1675 VanDerWaalsContact O-N 3.16Å; Y1672-Y1675 WeakPolarHBondContact O-CB 3.23Å; Y1672-Y1675 PolarHBondContact O-N 3.02Å; Y1672-Y1675 VanDerWaalsContact O-N 3.08Å; Y1675-S1677 PolarHBondContact O-N 2.61Å; Y1675-G1678 PolarHBondContact O-N 3.09Å; Y1675-L1679 HydrophobicContact CD1-CB 4.27Å; Y1675-L1679 VanDerWaalsContact CD1-O 3.29Å; Y1675-L1679 WeakPolarHBondContact CD1-O 3.42Å; Y1675-Y1684 HydrophobicContact CE1-CG 4.26Å; Y1675-E1868 WeakPolarHBondContact CE2-OE1 3.11Å; Y1675-E1868 PolarHBondContact OH-OE1 2.63Å
1676V80.8Confident84.9Confident8 Ų834 Ų345%0.04818%0.182CC..Hα-helixtrans-56.8-39.4170.7168.70000111Y1672 G1678 L2037Y1672-V1676 HydrophobicContact CD1-CG2 4.29Å; Y1672-V1676 HydrophobicContact CE1-CG2 3.62Å; Y1672-V1676 HydrophobicContact CE2-CG2 3.85Å; Y1672-V1676 PolarHBondContact O-N 2.98Å; Y1672-V1676 VanDerWaalsContact OH-CG2 3.32Å; Y1672-V1676 WeakPolarHBondContact OH-CG2 3.47Å; V1676-G1678 PolarHBondContact O-N 2.87Å; V1676-G1678 VanDerWaalsContact O-N 3.17Å; V1676-L2037 HydrophobicContact CB-CD2 4.44Å; V1676-L2037 HydrophobicContact CG1-CD2 4.13Å; V1676-L2037 HydrophobicContact CG2-CD2 4.26Å
1677S82.8Confident85.4Confident11 Ų1131.4 Ų31.48%0.07717%0.169CC..THydrogen-bonded Turntrans-76.110.2176.1-52.50000114.6L1673 Q1674 Y1675 Y2062 L2065L1673-S1677 WeakPolarHBondContact O-CB 3.21Å; L1673-S1677 PolarHBondContact O-N 3.46Å; L1673-S1677 PolarHBondContact O-OG 3.28Å; Q1674-S1677 CarbonylContact O-C 3.57Å; Q1674-S1677 PolarHBondContact O-N 3Å; Y1675-S1677 PolarHBondContact O-N 2.61Å; S1677-Y2062 VanDerWaalsContact OG-CD1 3.32Å; S1677-Y2062 WeakPolarHBondContact OG-CD1 3.38Å; S1677-L2065 CarbonylContact O-C 3.49Å; S1677-L2065 VanDerWaalsContact O-C 3.24Å; S1677-L2065 VanDerWaalsContact O-O 3.12Å
1678G79.4Confident86.1Confident38 Ų3826.4 Ų26.439%0.39214%0.142SC..THydrogen-bonded Turntrans98.92.3171.900000117.1Q1289 Q1674 Y1675 V1676Q1289-G1678 PolarHBondContact NE2-O 3.28Å; Q1674-G1678 PolarHBondContact O-N 3.36Å; Y1675-G1678 PolarHBondContact O-N 3.09Å; V1676-G1678 PolarHBondContact O-N 2.87Å; V1676-G1678 VanDerWaalsContact O-N 3.17Å
1679L85.9Confident86.7Confident8 Ų826.2 Ų26.24%0.04214%0.139CC..  trans-70.2131.5178.9-17561.8000112Q1289 M1293 Q1674 Y1675 I1683 Y1684 L2065Q1289-L1679 HydrophobicContact CB-CD1 4.02Å; Q1289-L1679 HydrophobicContact CG-CD1 4.46Å; M1293-L1679 HydrophobicContact CG-CD1 4.4Å; M1293-L1679 HydrophobicContact CG-CD2 4.24Å; M1293-L1679 HydrophobicContact SD-CD2 3.81Å; Q1674-L1679 HydrophobicContact CB-CB 4.35Å; Q1674-L1679 HydrophobicContact CB-CD2 3.99Å; Q1674-L1679 WeakPolarHBondContact O-CB 3.06Å; Q1674-L1679 PolarHBondContact O-N 2.81Å; Y1675-L1679 HydrophobicContact CD1-CB 4.27Å; Y1675-L1679 VanDerWaalsContact CD1-O 3.29Å; Y1675-L1679 WeakPolarHBondContact CD1-O 3.42Å; L1679-I1683 HydrophobicContact CD1-CB 4.45Å; L1679-I1683 HydrophobicContact CD1-CG2 4.11Å; L1679-Y1684 HydrophobicContact CD2-CD2 3.93Å; L1679-Y1684 HydrophobicContact CD2-CG 4.43Å; L1679-L2065 HydrophobicContact CB-CD2 4.26Å; L1679-L2065 HydrophobicContact CD1-CD2 4.12Å
1680K84Confident87.4Confident111 Ų11128.6 Ų28.648%0.48315%0.145SC..  trans-79.3133177-56.9-179-173175.90111.3F1682 I1683 Y1684K1680-F1682 VanDerWaalsContact C-N 3.34Å; K1680-F1682 PolarHBondContact O-N 2.99Å; K1680-I1683 HydrophobicContact CB-CB 4.31Å; K1680-I1683 HydrophobicContact CB-CD1 4.05Å; K1680-I1683 HydrophobicContact CB-CG1 4.09Å; K1680-I1683 HydrophobicContact CD-CD1 3.95Å; K1680-I1683 HydrophobicContact CG-CD1 4.27Å; K1680-I1683 PolarHBondContact O-N 3.46Å; K1680-Y1684 PolarHBondContact O-N 2.67Å
1681S83.5Confident87.7Confident25 Ų2530 Ų3018%0.17515%0.15CC..Hα-helixtrans-44.2-51.8177.2157.20000113.7I1683 Y1684 W1685 E1868 N1869S1681-I1683 PolarHBondContact O-N 3.24Å; S1681-Y1684 WeakPolarHBondContact O-CB 3.4Å; S1681-Y1684 PolarHBondContact O-N 2.99Å; S1681-W1685 PolarHBondContact O-N 3.02Å; S1681-E1868 WeakPolarHBondContact OG-CG 3.38Å; S1681-N1869 PolarHBondContact OG-OD1 3.1Å
1682F87.6Confident87.9Confident107 Ų10729.5 Ų29.547%0.46915%0.148SC..Hα-helixtrans-60.2-41.3177.8178.9-103.6000113.2K1680 W1685 L1686 I1865K1680-F1682 VanDerWaalsContact C-N 3.34Å; K1680-F1682 PolarHBondContact O-N 2.99Å; F1682-W1685 PolarHBondContact O-N 3.36Å; F1682-L1686 HydrophobicContact CE1-CD1 3.81Å; F1682-L1686 HydrophobicContact CE2-CD1 4.47Å; F1682-L1686 HydrophobicContact CZ-CD1 3.65Å; F1682-L1686 VanDerWaalsContact O-CB 3.24Å; F1682-L1686 WeakPolarHBondContact O-CB 3.41Å; F1682-L1686 PolarHBondContact O-N 2.79Å; F1682-I1865 HydrophobicContact CD2-CD1 3.91Å; F1682-I1865 HydrophobicContact CE2-CD1 4.01Å
1683I89.9Confident88.3Confident17 Ų1728.5 Ų28.59%0.08715%0.146CC..Hα-helixtrans-67.8-38.7179.7-63.5179.9000110.5T1286 Q1289 I1290 L1679 K1680 S1681 C1687T1286-I1683 HydrophobicContact CG2-CD1 3.9Å; Q1289-I1683 HydrophobicContact CB-CG2 4.28Å; I1290-I1683 HydrophobicContact CG1-CG2 4.17Å; L1679-I1683 HydrophobicContact CD1-CB 4.45Å; L1679-I1683 HydrophobicContact CD1-CG2 4.11Å; K1680-I1683 HydrophobicContact CB-CB 4.31Å; K1680-I1683 HydrophobicContact CB-CD1 4.05Å; K1680-I1683 HydrophobicContact CB-CG1 4.09Å; K1680-I1683 HydrophobicContact CD-CD1 3.95Å; K1680-I1683 HydrophobicContact CG-CD1 4.27Å; K1680-I1683 PolarHBondContact O-N 3.46Å; S1681-I1683 PolarHBondContact O-N 3.24Å; I1683-C1687 VanDerWaalsContact O-CB 3.27Å; I1683-C1687 WeakPolarHBondContact O-CB 3.31Å; I1683-C1687 PolarHBondContact O-N 2.71Å; I1683-C1687 PolarHBondContact O-SG 3.27Å
1684Y91.5Very high88.5Confident1 Ų131.9 Ų31.90%0.00416%0.163CC..Hα-helixtrans-57.4-51.6174.6171.6-88.5000111.9M1293 L1662 E1665 K1671 Y1675 L1679 K1680 S1681 N1688M1293-Y1684 HydrophobicContact CE-CD2 3.64Å; M1293-Y1684 HydrophobicContact CE-CE2 3.91Å; L1662-Y1684 HydrophobicContact CD2-CE1 4.25Å; L1662-Y1684 WeakPolarHBondContact CD2-OH 3.37Å; E1665-Y1684 WeakPolarHBondContact OE2-CE2 3.36Å; E1665-Y1684 PolarHBondContact OE2-OH 3.04Å; K1671-Y1684 HydrophobicContact CB-CE2 4.39Å; K1671-Y1684 HydrophobicContact CD-CE1 3.87Å; K1671-Y1684 HydrophobicContact CD-CE2 4.28Å; K1671-Y1684 HydrophobicContact CG-CD2 4.39Å; K1671-Y1684 HydrophobicContact CG-CE1 4.27Å; K1671-Y1684 HydrophobicContact CG-CE2 3.83Å; Y1675-Y1684 HydrophobicContact CE1-CG 4.26Å; L1679-Y1684 HydrophobicContact CD2-CD2 3.93Å; L1679-Y1684 HydrophobicContact CD2-CG 4.43Å; K1680-Y1684 PolarHBondContact O-N 2.67Å; S1681-Y1684 WeakPolarHBondContact O-CB 3.4Å; S1681-Y1684 PolarHBondContact O-N 2.99Å; Y1684-N1688 WeakPolarHBondContact CE2-ND2 3.42Å; Y1684-N1688 WeakPolarHBondContact O-CB 3.15Å; Y1684-N1688 PolarHBondContact O-N 2.78Å; Y1684-N1688 VanDerWaalsContact O-N 3.16Å; Y1684-N1688 PolarHBondContact O-ND2 3.05Å
1685W91.7Very high88.5Confident1 Ų132.3 Ų32.30%0.00417%0.165CC..Hα-helixtrans-69.8-40.9-178.1-76.2115.2000112.4L1662 S1681 F1682 N1688 Y1689 Y1740 F1744 F1861 I1864 E1868L1662-W1685 HydrophobicContact CD1-CZ3 4.29Å; L1662-W1685 HydrophobicContact CD2-CZ3 4.41Å; S1681-W1685 PolarHBondContact O-N 3.02Å; F1682-W1685 PolarHBondContact O-N 3.36Å; W1685-N1688 PolarHBondContact O-N 2.81Å; W1685-Y1689 VanDerWaalsContact O-CB 3.29Å; W1685-Y1689 WeakPolarHBondContact O-CB 3.46Å; W1685-Y1689 PolarHBondContact O-N 2.69Å; W1685-Y1740 AromaticContact CE3-CD2 3.67Å; W1685-Y1740 HydrophobicContact CE3-CD2 3.67Å; W1685-Y1740 AromaticContact CE3-CE2 3.91Å; W1685-Y1740 HydrophobicContact CE3-CE2 3.91Å; W1685-Y1740 HydrophobicContact CE3-CG 4.45Å; W1685-Y1740 AromaticContact CZ3-CD2 3.54Å; W1685-Y1740 HydrophobicContact CZ3-CD2 3.54Å; W1685-Y1740 HydrophobicContact CZ3-CE2 4.04Å; W1685-Y1740 AromaticContact CZ3-CG 3.86Å; W1685-Y1740 HydrophobicContact CZ3-CG 3.86Å; W1685-F1744 HydrophobicContact CH2-CZ 4.38Å; W1685-F1744 HydrophobicContact CZ2-CE1 4.5Å; W1685-F1744 HydrophobicContact CZ2-CE2 4.36Å; W1685-F1744 AromaticContact CZ2-CZ 3.79Å; W1685-F1744 HydrophobicContact CZ2-CZ 3.79Å; W1685-F1861 HydrophobicContact CB-CE2 4.49Å; W1685-F1861 HydrophobicContact CB-CZ 4.45Å; W1685-I1864 HydrophobicContact CD2-CG2 3.71Å; W1685-I1864 HydrophobicContact CE3-CG2 4.08Å; W1685-I1864 HydrophobicContact CG-CG2 4.16Å; W1685-I1864 HydrophobicContact CH2-CG2 4.15Å; W1685-I1864 HydrophobicContact CZ2-CG2 3.8Å; W1685-I1864 HydrophobicContact CZ3-CG2 4.29Å; W1685-E1868 WeakPolarHBondContact CZ2-OE2 3.3Å; W1685-E1868 PolarHBondContact NE1-OE2 3.13Å
1686L91.7Very high88.8Confident52 Ų5230.2 Ų30.227%0.27216%0.157SC..Hα-helixtrans-66.3-40.9177.8-178.7140.5000112.6F1682 Y1689 L1690F1682-L1686 HydrophobicContact CE1-CD1 3.81Å; F1682-L1686 HydrophobicContact CE2-CD1 4.47Å; F1682-L1686 HydrophobicContact CZ-CD1 3.65Å; F1682-L1686 VanDerWaalsContact O-CB 3.24Å; F1682-L1686 WeakPolarHBondContact O-CB 3.41Å; F1682-L1686 PolarHBondContact O-N 2.79Å; L1686-Y1689 PolarHBondContact O-N 2.99Å; L1686-L1690 HydrophobicContact CD2-CD1 3.62Å; L1686-L1690 HydrophobicContact CD2-CG 4.47Å; L1686-L1690 HydrophobicContact CG-CD1 4.17Å; L1686-L1690 WeakPolarHBondContact O-CB 3.44Å; L1686-L1690 WeakPolarHBondContact O-CG 3.44Å; L1686-L1690 PolarHBondContact O-N 3.19Å
1687C92.4Very high89.3Confident3 Ų332.9 Ų32.92%0.0217%0.17CC..Hα-helixtrans-65-43.8175.9-67.70000112M1293 F1294 I1683 W1691M1293-C1687 HydrophobicContact CB-CB 3.87Å; M1293-C1687 HydrophobicContact CG-CB 4.44Å; F1294-C1687 HydrophobicContact CD2-CB 4.37Å; F1294-C1687 HydrophobicContact CE2-CB 4.14Å; I1683-C1687 VanDerWaalsContact O-CB 3.27Å; I1683-C1687 WeakPolarHBondContact O-CB 3.31Å; I1683-C1687 PolarHBondContact O-N 2.71Å; I1683-C1687 PolarHBondContact O-SG 3.27Å; C1687-W1691 WeakPolarHBondContact O-CB 3.02Å; C1687-W1691 PolarHBondContact O-N 3.47Å
1688N91.5Very high89.6Confident1 Ų136 Ų361%0.00519%0.186CC..Hα-helixtrans-62.8-45.4176.9-82-55.8000111.4R1297 L1662 Y1684 W1685 W1691 D1692 Y1740R1297-N1688 VanDerWaalsContact CZ-OD1 3.27Å; R1297-N1688 PolarHBondContact NE-OD1 3.49Å; R1297-N1688 PolarHBondContact NH2-OD1 3.47Å; L1662-N1688 HydrophobicContact CD2-CB 4.3Å; Y1684-N1688 WeakPolarHBondContact CE2-ND2 3.42Å; Y1684-N1688 WeakPolarHBondContact O-CB 3.15Å; Y1684-N1688 PolarHBondContact O-N 2.78Å; Y1684-N1688 VanDerWaalsContact O-N 3.16Å; Y1684-N1688 PolarHBondContact O-ND2 3.05Å; W1685-N1688 PolarHBondContact O-N 2.81Å; N1688-W1691 PolarHBondContact O-N 3.26Å; N1688-D1692 WeakPolarHBondContact O-CB 3.27Å; N1688-D1692 PolarHBondContact O-N 3.23Å; N1688-Y1740 PolarHBondContact O-OH 2.88Å
1689Y92.7Very high90Very high30 Ų3034.4 Ų34.412%0.11817%0.168CC..Hα-helixtrans-62.5-45.8177.9-176.7-138.3000112.9W1685 L1686 W1691 D1692 I1693 I1733 I1736 P1737 Y1740 F1861W1685-Y1689 VanDerWaalsContact O-CB 3.29Å; W1685-Y1689 WeakPolarHBondContact O-CB 3.46Å; W1685-Y1689 PolarHBondContact O-N 2.69Å; L1686-Y1689 PolarHBondContact O-N 2.99Å; Y1689-W1691 PolarHBondContact O-N 3.5Å; Y1689-D1692 PolarHBondContact O-N 3.4Å; Y1689-I1693 HydrophobicContact CD1-CD1 4.1Å; Y1689-I1693 HydrophobicContact CD2-CD1 3.82Å; Y1689-I1693 HydrophobicContact CD2-CG1 4.1Å; Y1689-I1693 HydrophobicContact CE1-CD1 3.85Å; Y1689-I1693 HydrophobicContact CE2-CD1 3.53Å; Y1689-I1693 HydrophobicContact CE2-CG1 3.91Å; Y1689-I1693 HydrophobicContact CG-CD1 4.1Å; Y1689-I1693 WeakPolarHBondContact O-CB 3.42Å; Y1689-I1693 VanDerWaalsContact O-CG1 3.3Å; Y1689-I1693 WeakPolarHBondContact O-CG1 3.44Å; Y1689-I1693 PolarHBondContact O-N 3.34Å; Y1689-I1733 WeakPolarHBondContact OH-CG2 3.35Å; Y1689-I1733 PolarHBondContact OH-O 3.26Å; Y1689-I1733 VanDerWaalsContact OH-O 3.13Å; Y1689-I1736 HydrophobicContact CD2-CB 4.47Å; Y1689-I1736 HydrophobicContact CD2-CG2 3.93Å; Y1689-I1736 HydrophobicContact CE2-CB 4.35Å; Y1689-I1736 HydrophobicContact CE2-CG2 4.29Å; Y1689-P1737 HydrophobicContact CD2-CG 4.2Å; Y1689-P1737 HydrophobicContact CE2-CG 3.47Å; Y1689-P1737 VanDerWaalsContact CE2-CG 3.47Å; Y1689-Y1740 PolarHBondContact N-OH 3.39Å; Y1689-F1861 HydrophobicContact CD1-CD2 4.02Å; Y1689-F1861 AromaticContact CD1-CE2 3.7Å; Y1689-F1861 HydrophobicContact CD1-CE2 3.7Å; Y1689-F1861 HydrophobicContact CD1-CZ 4.15Å; Y1689-F1861 HydrophobicContact CE1-CD2 4.27Å; Y1689-F1861 HydrophobicContact CE1-CE2 4.38Å; Y1689-F1861 HydrophobicContact CG-CD2 4.35Å; Y1689-F1861 AromaticContact CG-CE2 3.95Å; Y1689-F1861 HydrophobicContact CG-CE2 3.95Å
1690L92.4Very high90.1Very high77 Ų7734 Ų3440%0.40317%0.166SC..Hα-helixtrans-63.2-41.3175.6-72174.1000112.4F1294 L1686 I1694F1294-L1690 HydrophobicContact CZ-CB 4.06Å; L1686-L1690 HydrophobicContact CD2-CD1 3.62Å; L1686-L1690 HydrophobicContact CD2-CG 4.47Å; L1686-L1690 HydrophobicContact CG-CD1 4.17Å; L1686-L1690 WeakPolarHBondContact O-CB 3.44Å; L1686-L1690 WeakPolarHBondContact O-CG 3.44Å; L1686-L1690 PolarHBondContact O-N 3.19Å; L1690-I1694 WeakPolarHBondContact O-CD1 3.42Å; L1690-I1694 VanDerWaalsContact O-CG1 3.25Å; L1690-I1694 WeakPolarHBondContact O-CG1 3.25Å; L1690-I1694 PolarHBondContact O-N 3.43Å
1691W92.5Very high90.4Very high30 Ų3032.8 Ų32.811%0.11416%0.164CC..Hα-helixtrans-60.6-47.2176.2-177.9-92.8000111.9F1294 R1297 F1298 L1301 C1687 N1688 Y1689 I1694 N1695F1294-W1691 HydrophobicContact CB-CE3 4.44Å; F1294-W1691 AromaticContact CD1-CE3 3.53Å; F1294-W1691 HydrophobicContact CD1-CE3 3.53Å; F1294-W1691 AromaticContact CD1-CZ3 3.85Å; F1294-W1691 HydrophobicContact CD1-CZ3 3.85Å; F1294-W1691 AromaticContact CE1-CE3 3.9Å; F1294-W1691 HydrophobicContact CE1-CE3 3.9Å; F1294-W1691 HydrophobicContact CE1-CZ3 4.48Å; F1294-W1691 HydrophobicContact CG-CE3 4.07Å; F1294-W1691 HydrophobicContact CG-CZ3 4.48Å; R1297-W1691 HydrophobicContact CB-CD2 3.56Å; R1297-W1691 HydrophobicContact CB-CE3 4.17Å; R1297-W1691 HydrophobicContact CB-CG 3.77Å; R1297-W1691 HydrophobicContact CB-CZ2 4.1Å; R1297-W1691 HydrophobicContact CG-CD2 4.26Å; R1297-W1691 HydrophobicContact CG-CG 3.93Å; F1298-W1691 HydrophobicContact CB-CH2 3.66Å; F1298-W1691 HydrophobicContact CB-CZ2 4.27Å; F1298-W1691 HydrophobicContact CB-CZ3 4.34Å; F1298-W1691 HydrophobicContact CD2-CH2 4.1Å; F1298-W1691 HydrophobicContact CG-CH2 4.38Å; L1301-W1691 HydrophobicContact CD1-CZ2 4.32Å; C1687-W1691 WeakPolarHBondContact O-CB 3.02Å; C1687-W1691 PolarHBondContact O-N 3.47Å; N1688-W1691 PolarHBondContact O-N 3.26Å; Y1689-W1691 PolarHBondContact O-N 3.5Å; W1691-I1694 PolarHBondContact O-N 2.99Å; W1691-N1695 PolarHBondContact NE1-ND2 2.89Å; W1691-N1695 PolarHBondContact O-N 2.97Å; W1691-N1695 VanDerWaalsContact O-N 3.13Å; W1691-N1695 PolarHBondContact O-ND2 2.88Å
1692D92.1Very high90.7Very high0 Ų034.7 Ų34.70%017%0.172CC..Hα-helixtrans-72.8-32.3-177-71.1-25000112.7R1297 F1658 N1688 Y1689 Y1696 I1736 Y1740R1297-D1692 IonicContact CZ-OD1 3.57Å; R1297-D1692 IonicContact CZ-OD2 3.08Å; R1297-D1692 IonicContact NH1-OD1 2.67Å; R1297-D1692 PolarHBondContact NH1-OD1 3.08Å; R1297-D1692 IonicContact NH1-OD2 2.73Å; R1297-D1692 PolarHBondContact NH1-OD2 3.4Å; R1297-D1692 IonicContact NH2-OD1 2.69Å; R1297-D1692 PolarHBondContact NH2-OD1 3.06Å; R1297-D1692 IonicContact NH2-OD2 2.81Å; R1297-D1692 PolarHBondContact NH2-OD2 2.92Å; F1658-D1692 HydrophobicContact CB-CB 4.4Å; F1658-D1692 WeakPolarHBondContact CB-OD2 3.47Å; F1658-D1692 WeakPolarHBondContact CD1-OD1 3.46Å; F1658-D1692 HydrophobicContact CD2-CB 3.5Å; F1658-D1692 HydrophobicContact CE2-CB 3.79Å; F1658-D1692 WeakPolarHBondContact CE2-O 3.11Å; F1658-D1692 HydrophobicContact CG-CB 3.95Å; F1658-D1692 VanDerWaalsContact CG-CG 3.48Å; F1658-D1692 WeakPolarHBondContact CG-OD1 3.21Å; F1658-D1692 HydrophobicContact CZ-CB 4.47Å; N1688-D1692 WeakPolarHBondContact O-CB 3.27Å; N1688-D1692 PolarHBondContact O-N 3.23Å; Y1689-D1692 PolarHBondContact O-N 3.4Å; D1692-Y1696 VanDerWaalsContact O-CB 3.26Å; D1692-Y1696 WeakPolarHBondContact O-CB 3.35Å; D1692-Y1696 PolarHBondContact O-N 2.96Å; D1692-I1736 HydrophobicContact CB-CD1 4.18Å; D1692-I1736 HydrophobicContact CB-CG2 4.41Å; D1692-Y1740 PolarHBondContact OD2-OH 3.39Å
1693I91.8Very high90.7Very high25 Ų2529.8 Ų29.813%0.12815%0.151CC..Hα-helixtrans-58.5-49165.7-74.8167.2000110.7Y1689 N1695 Y1696 I1697Y1689-I1693 HydrophobicContact CD1-CD1 4.1Å; Y1689-I1693 HydrophobicContact CD2-CD1 3.82Å; Y1689-I1693 HydrophobicContact CD2-CG1 4.1Å; Y1689-I1693 HydrophobicContact CE1-CD1 3.85Å; Y1689-I1693 HydrophobicContact CE2-CD1 3.53Å; Y1689-I1693 HydrophobicContact CE2-CG1 3.91Å; Y1689-I1693 HydrophobicContact CG-CD1 4.1Å; Y1689-I1693 WeakPolarHBondContact O-CB 3.42Å; Y1689-I1693 VanDerWaalsContact O-CG1 3.3Å; Y1689-I1693 WeakPolarHBondContact O-CG1 3.44Å; Y1689-I1693 PolarHBondContact O-N 3.34Å; I1693-N1695 PolarHBondContact O-N 2.84Å; I1693-Y1696 PolarHBondContact O-N 2.87Å; I1693-I1697 HydrophobicContact CG2-CD1 3.52Å; I1693-I1697 HydrophobicContact CG2-CG1 4.13Å; I1693-I1697 VanDerWaalsContact O-CG1 3.29Å; I1693-I1697 WeakPolarHBondContact O-CG1 3.45Å; I1693-I1697 PolarHBondContact O-N 3.48Å
1694I91.5Very high90.7Very high78 Ų7829.6 Ų29.640%0.415%0.15SC..Hα-helixtrans-60.1-46.1-177-71.6162.7000111F1294 L1690 W1691 Y1696 I1697 I1698F1294-I1694 HydrophobicContact CE1-CD1 4.11Å; L1690-I1694 WeakPolarHBondContact O-CD1 3.42Å; L1690-I1694 VanDerWaalsContact O-CG1 3.25Å; L1690-I1694 WeakPolarHBondContact O-CG1 3.25Å; L1690-I1694 PolarHBondContact O-N 3.43Å; W1691-I1694 PolarHBondContact O-N 2.99Å; I1694-Y1696 PolarHBondContact O-N 2.89Å; I1694-I1697 PolarHBondContact O-N 3.43Å; I1694-I1698 HydrophobicContact CG2-CD1 4.19Å; I1694-I1698 WeakPolarHBondContact O-CG1 3.37Å; I1694-I1698 PolarHBondContact O-N 2.84Å; I1694-I1698 VanDerWaalsContact O-N 3.13Å
1695N89Confident90.6Very high9 Ų933.9 Ų33.95%0.04817%0.172CC..Hα-helixtrans-63.7-42.8176.8-57.6-44.3000111.7F1312 F1658 W1691 I1693 I1697 I1698 C1699F1312-N1695 HydrophobicContact CZ-CB 4.39Å; F1658-N1695 HydrophobicContact CE1-CB 4.06Å; F1658-N1695 HydrophobicContact CZ-CB 3.8Å; W1691-N1695 PolarHBondContact NE1-ND2 2.89Å; W1691-N1695 PolarHBondContact O-N 2.97Å; W1691-N1695 VanDerWaalsContact O-N 3.13Å; W1691-N1695 PolarHBondContact O-ND2 2.88Å; I1693-N1695 PolarHBondContact O-N 2.84Å; N1695-I1697 VanDerWaalsContact C-N 3.35Å; N1695-I1697 PolarHBondContact O-N 2.92Å; N1695-I1698 PolarHBondContact O-N 2.86Å; N1695-C1699 PolarHBondContact O-N 2.85Å; N1695-C1699 PolarHBondContact O-SG 2.95Å
1696Y90.6Very high90.5Very high2 Ų234.7 Ų34.71%0.00818%0.176CC..Hα-helixtrans-62.9-39177.5179.1-88.6000112.4L1651 I1654 D1692 I1693 I1694 C1699 S1700 I1728 Y1731L1651-Y1696 HydrophobicContact CD2-CE2 4.26Å; I1654-Y1696 HydrophobicContact CB-CD2 4.47Å; I1654-Y1696 HydrophobicContact CG2-CD2 4.31Å; D1692-Y1696 VanDerWaalsContact O-CB 3.26Å; D1692-Y1696 WeakPolarHBondContact O-CB 3.35Å; D1692-Y1696 PolarHBondContact O-N 2.96Å; I1693-Y1696 PolarHBondContact O-N 2.87Å; I1694-Y1696 PolarHBondContact O-N 2.89Å; Y1696-C1699 PolarHBondContact O-N 3.22Å; Y1696-S1700 WeakPolarHBondContact CD1-OG 3.4Å; Y1696-S1700 WeakPolarHBondContact CE1-OG 3.33Å; Y1696-S1700 VanDerWaalsContact CZ-OG 3.31Å; Y1696-S1700 WeakPolarHBondContact O-CB 3.44Å; Y1696-S1700 PolarHBondContact O-N 2.96Å; Y1696-S1700 PolarHBondContact O-OG 3.35Å; Y1696-I1728 WeakPolarHBondContact CE1-O 3.11Å; Y1696-I1728 PolarHBondContact OH-O 2.88Å; Y1696-Y1731 WeakPolarHBondContact OH-CD1 3.39Å
1697I91Very high90.3Very high64 Ų6432.4 Ų32.433%0.32816%0.164SC..Hα-helixtrans-62.5-44.3175.5-71.9173000110.6I1693 I1694 N1695 C1699 S1700 I1701 L1729I1693-I1697 HydrophobicContact CG2-CD1 3.52Å; I1693-I1697 HydrophobicContact CG2-CG1 4.13Å; I1693-I1697 VanDerWaalsContact O-CG1 3.29Å; I1693-I1697 WeakPolarHBondContact O-CG1 3.45Å; I1693-I1697 PolarHBondContact O-N 3.48Å; I1694-I1697 PolarHBondContact O-N 3.43Å; N1695-I1697 VanDerWaalsContact C-N 3.35Å; N1695-I1697 PolarHBondContact O-N 2.92Å; I1697-C1699 VanDerWaalsContact C-N 3.35Å; I1697-C1699 PolarHBondContact O-N 3.19Å; I1697-S1700 WeakPolarHBondContact O-CB 3.34Å; I1697-S1700 PolarHBondContact O-N 3.27Å; I1697-I1701 HydrophobicContact CG2-CD1 3.72Å; I1697-I1701 HydrophobicContact CG2-CG1 4.4Å; I1697-I1701 WeakPolarHBondContact O-CG1 3.31Å; I1697-I1701 PolarHBondContact O-N 3.28Å; I1697-L1729 HydrophobicContact CG1-CD2 4.1Å; I1697-L1729 HydrophobicContact CG2-CD2 4.46Å
1698I89.4Confident90.2Very high78 Ų7836 Ų3640%0.418%0.182SC..Hα-helixtrans-59.9-46.3176.6-64.5163.1000110.5F1312 I1694 N1695 S1700 I1701 L1702F1312-I1698 HydrophobicContact CD1-CG2 4.41Å; F1312-I1698 HydrophobicContact CE1-CB 4.26Å; F1312-I1698 HydrophobicContact CE1-CG2 3.84Å; I1694-I1698 HydrophobicContact CG2-CD1 4.19Å; I1694-I1698 WeakPolarHBondContact O-CG1 3.37Å; I1694-I1698 PolarHBondContact O-N 2.84Å; I1694-I1698 VanDerWaalsContact O-N 3.13Å; N1695-I1698 PolarHBondContact O-N 2.86Å; I1698-S1700 VanDerWaalsContact C-N 3.34Å; I1698-S1700 PolarHBondContact O-N 2.96Å; I1698-I1701 PolarHBondContact O-N 3.16Å; I1698-L1702 HydrophobicContact CG2-CD1 4.2Å; I1698-L1702 WeakPolarHBondContact O-CG 3.39Å; I1698-L1702 PolarHBondContact O-N 3.3Å; I1698-L1702 VanDerWaalsContact O-N 3.12Å
1699C87.9Confident90.1Very high4 Ų443.6 Ų43.63%0.02722%0.215CC..Hα-helixtrans-62.9-39.5176.2-59.50000112.4E1311 F1312 I1654 N1695 Y1696 I1697 L1702 C1703E1311-C1699 PolarHBondContact O-SG 2.99Å; F1312-C1699 WeakPolarHBondContact CD1-SG 3.47Å; F1312-C1699 WeakPolarHBondContact CE1-SG 3.38Å; I1654-C1699 HydrophobicContact CD1-CB 3.65Å; N1695-C1699 PolarHBondContact O-N 2.85Å; N1695-C1699 PolarHBondContact O-SG 2.95Å; Y1696-C1699 PolarHBondContact O-N 3.22Å; I1697-C1699 VanDerWaalsContact C-N 3.35Å; I1697-C1699 PolarHBondContact O-N 3.19Å; C1699-L1702 PolarHBondContact O-N 3.46Å; C1699-C1703 PolarHBondContact O-N 2.97Å; C1699-C1703 PolarHBondContact O-SG 3.06Å
1700S88.5Confident89.7Confident0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-62.6-46.9177.9-63.60000111.9Y1696 I1697 I1698 L1702 C1703 I1704Y1696-S1700 WeakPolarHBondContact CD1-OG 3.4Å; Y1696-S1700 WeakPolarHBondContact CE1-OG 3.33Å; Y1696-S1700 VanDerWaalsContact CZ-OG 3.31Å; Y1696-S1700 WeakPolarHBondContact O-CB 3.44Å; Y1696-S1700 PolarHBondContact O-N 2.96Å; Y1696-S1700 PolarHBondContact O-OG 3.35Å; I1697-S1700 WeakPolarHBondContact O-CB 3.34Å; I1697-S1700 PolarHBondContact O-N 3.27Å; I1698-S1700 VanDerWaalsContact C-N 3.34Å; I1698-S1700 PolarHBondContact O-N 2.96Å; S1700-L1702 VanDerWaalsContact C-N 3.33Å; S1700-L1702 PolarHBondContact O-N 3.31Å; S1700-C1703 WeakPolarHBondContact O-CB 3.49Å; S1700-C1703 PolarHBondContact O-N 3.23Å; S1700-I1704 WeakPolarHBondContact O-CD1 2.9Å; S1700-I1704 VanDerWaalsContact O-CG1 3.27Å; S1700-I1704 WeakPolarHBondContact O-CG1 3.11Å; S1700-I1704 PolarHBondContact O-N 3Å
1701I90Very high89.3Confident85 Ų8548.5 Ų48.544%0.43624%0.235SC..Hα-helixtrans-61.2-43.7177.8-69.9166.6000110.1I1697 I1698 C1703 I1704 I1705I1697-I1701 HydrophobicContact CG2-CD1 3.72Å; I1697-I1701 HydrophobicContact CG2-CG1 4.4Å; I1697-I1701 WeakPolarHBondContact O-CG1 3.31Å; I1697-I1701 PolarHBondContact O-N 3.28Å; I1698-I1701 PolarHBondContact O-N 3.16Å; I1701-C1703 PolarHBondContact O-N 3.06Å; I1701-I1704 PolarHBondContact O-N 3.45Å; I1701-I1705 HydrophobicContact CG2-CD1 3.76Å; I1701-I1705 HydrophobicContact CG2-CG1 4.43Å; I1701-I1705 VanDerWaalsContact O-CG1 3.27Å; I1701-I1705 WeakPolarHBondContact O-CG1 3.4Å; I1701-I1705 PolarHBondContact O-N 3.23Å
1702L89.2Confident88.9Confident65 Ų6548.9 Ų48.934%0.3424%0.238SC..Hα-helixtrans-61.8-41.5175-69167000112.1I1316 I1698 C1699 S1700 I1705 I1706I1316-L1702 HydrophobicContact CD1-CB 3.76Å; I1316-L1702 HydrophobicContact CD1-CD1 3.87Å; I1316-L1702 HydrophobicContact CD1-CG 4.31Å; I1316-L1702 HydrophobicContact CG1-CB 4.43Å; I1698-L1702 HydrophobicContact CG2-CD1 4.2Å; I1698-L1702 WeakPolarHBondContact O-CG 3.39Å; I1698-L1702 PolarHBondContact O-N 3.3Å; I1698-L1702 VanDerWaalsContact O-N 3.12Å; C1699-L1702 PolarHBondContact O-N 3.46Å; S1700-L1702 VanDerWaalsContact C-N 3.33Å; S1700-L1702 PolarHBondContact O-N 3.31Å; L1702-I1705 PolarHBondContact O-N 3.23Å; L1702-I1706 WeakPolarHBondContact O-CD1 3.18Å; L1702-I1706 VanDerWaalsContact O-CG1 3.28Å; L1702-I1706 WeakPolarHBondContact O-CG1 3.23Å; L1702-I1706 PolarHBondContact O-N 3.18Å; L1702-I1706 VanDerWaalsContact O-N 3.1Å
1703C87.4Confident88.2Confident3 Ų353.3 Ų53.32%0.0226%0.261CS..Hα-helixtrans-61-45.1173.4-660000111.9L1319 C1699 S1700 I1701 I1705 I1706 F1707L1319-C1703 HydrophobicContact CD1-CB 3.85Å; C1699-C1703 PolarHBondContact O-N 2.97Å; C1699-C1703 PolarHBondContact O-SG 3.06Å; S1700-C1703 WeakPolarHBondContact O-CB 3.49Å; S1700-C1703 PolarHBondContact O-N 3.23Å; I1701-C1703 PolarHBondContact O-N 3.06Å; C1703-I1705 PolarHBondContact O-N 3.05Å; C1703-I1706 PolarHBondContact O-N 3.34Å; C1703-F1707 WeakPolarHBondContact O-CD2 3.41Å; C1703-F1707 PolarHBondContact O-N 2.68Å
1704I89.2Confident87.6Confident13 Ų1352.1 Ų52.17%0.06726%0.255CS..Hα-helixtrans-62.8-42.4178.4-69.1157.1000111.1S1700 I1701 I1706 F1707 I1708 F1724 I1725 I1728S1700-I1704 WeakPolarHBondContact O-CD1 2.9Å; S1700-I1704 VanDerWaalsContact O-CG1 3.27Å; S1700-I1704 WeakPolarHBondContact O-CG1 3.11Å; S1700-I1704 PolarHBondContact O-N 3Å; I1701-I1704 PolarHBondContact O-N 3.45Å; I1704-I1706 VanDerWaalsContact C-N 3.31Å; I1704-I1706 PolarHBondContact O-N 3.27Å; I1704-F1707 WeakPolarHBondContact O-CB 3.32Å; I1704-F1707 PolarHBondContact O-N 2.99Å; I1704-I1708 HydrophobicContact CG2-CD1 3.92Å; I1704-I1708 WeakPolarHBondContact O-CG1 3.2Å; I1704-I1708 PolarHBondContact O-N 3.4Å; I1704-F1724 HydrophobicContact CG1-CE1 4.01Å; I1704-F1724 HydrophobicContact CG2-CE1 4.4Å; I1704-I1725 HydrophobicContact CD1-CB 4.41Å; I1704-I1725 HydrophobicContact CD1-CG1 4.01Å; I1704-I1725 HydrophobicContact CD1-CG2 4.3Å; I1704-I1725 HydrophobicContact CG1-CG1 4.49Å; I1704-I1725 HydrophobicContact CG2-CG1 4.14Å; I1704-I1728 HydrophobicContact CG1-CD1 4.13Å
1705I90.1Very high87.4Confident92 Ų9248.5 Ų48.547%0.47224%0.236SC..Hα-helixtrans-60.5-39.7175.8-71165.6000111.3I1701 L1702 C1703 F1707 I1708 F1709I1701-I1705 HydrophobicContact CG2-CD1 3.76Å; I1701-I1705 HydrophobicContact CG2-CG1 4.43Å; I1701-I1705 VanDerWaalsContact O-CG1 3.27Å; I1701-I1705 WeakPolarHBondContact O-CG1 3.4Å; I1701-I1705 PolarHBondContact O-N 3.23Å; L1702-I1705 PolarHBondContact O-N 3.23Å; C1703-I1705 PolarHBondContact O-N 3.05Å; I1705-F1707 PolarHBondContact O-N 3.02Å; I1705-I1708 PolarHBondContact O-N 3.12Å; I1705-F1709 WeakPolarHBondContact O-CB 3.34Å; I1705-F1709 PolarHBondContact O-N 2.86Å
1706I89.6Confident87.3Confident18 Ų1849.8 Ų49.89%0.09224%0.243CC..Hα-helixtrans-62.7-41.9176.7-67.4159000111I1316 L1319 I1320 L1323 L1702 C1703 I1704 F1709 Y1710I1316-I1706 HydrophobicContact CB-CD1 4.04Å; I1316-I1706 HydrophobicContact CG1-CD1 3.82Å; I1316-I1706 HydrophobicContact CG2-CD1 3.73Å; L1319-I1706 HydrophobicContact CB-CG2 4.38Å; I1320-I1706 HydrophobicContact CD1-CD1 4.36Å; I1320-I1706 HydrophobicContact CG1-CD1 4.25Å; I1320-I1706 HydrophobicContact CG1-CG1 4.36Å; I1320-I1706 HydrophobicContact CG1-CG2 3.92Å; L1323-I1706 HydrophobicContact CD1-CG2 3.7Å; L1702-I1706 WeakPolarHBondContact O-CD1 3.18Å; L1702-I1706 VanDerWaalsContact O-CG1 3.28Å; L1702-I1706 WeakPolarHBondContact O-CG1 3.23Å; L1702-I1706 PolarHBondContact O-N 3.18Å; L1702-I1706 VanDerWaalsContact O-N 3.1Å; C1703-I1706 PolarHBondContact O-N 3.34Å; I1704-I1706 VanDerWaalsContact C-N 3.31Å; I1704-I1706 PolarHBondContact O-N 3.27Å; I1706-F1709 PolarHBondContact O-N 2.72Å; I1706-Y1710 HydrophobicContact CG2-CD2 4.12Å; I1706-Y1710 HydrophobicContact CG2-CE2 4.36Å; I1706-Y1710 WeakPolarHBondContact O-CD2 3.42Å; I1706-Y1710 PolarHBondContact O-N 3.13Å; I1706-Y1710 VanDerWaalsContact O-N 3.15Å
1707F88.7Confident87Confident3 Ų352.4 Ų52.41%0.01326%0.255CS..Hα-helixtrans-59.8-50.7173.2-88.2-97.1000111.2L1319 L1643 T1647 C1703 I1704 I1705 F1709 Y1710 Q1711 K1712 Y1715 I1716 F1724L1319-F1707 HydrophobicContact CD2-CE2 4.11Å; L1643-F1707 HydrophobicContact CD1-CE1 4.46Å; L1643-F1707 HydrophobicContact CD1-CZ 4.06Å; L1643-F1707 HydrophobicContact CD2-CE1 3.83Å; L1643-F1707 HydrophobicContact CD2-CZ 4.22Å; L1643-F1707 HydrophobicContact CG-CE1 4.14Å; L1643-F1707 HydrophobicContact CG-CZ 4.04Å; T1647-F1707 HydrophobicContact CG2-CE2 3.66Å; T1647-F1707 HydrophobicContact CG2-CZ 3.53Å; C1703-F1707 WeakPolarHBondContact O-CD2 3.41Å; C1703-F1707 PolarHBondContact O-N 2.68Å; I1704-F1707 WeakPolarHBondContact O-CB 3.32Å; I1704-F1707 PolarHBondContact O-N 2.99Å; I1705-F1707 PolarHBondContact O-N 3.02Å; F1707-F1709 VanDerWaalsContact C-N 3.32Å; F1707-F1709 PolarHBondContact O-N 3.33Å; F1707-Y1710 PolarHBondContact O-N 2.75Å; F1707-Q1711 PolarHBondContact O-N 2.7Å; F1707-Q1711 VanDerWaalsContact O-N 3.17Å; F1707-K1712 HydrophobicContact CD1-CB 4.34Å; F1707-Y1715 AromaticContact CD1-CD2 3.75Å; F1707-Y1715 HydrophobicContact CD1-CD2 3.75Å; F1707-Y1715 HydrophobicContact CD1-CE2 4.46Å; F1707-Y1715 HydrophobicContact CD1-CG 4.15Å; F1707-Y1715 AromaticContact CE1-CD2 3.53Å; F1707-Y1715 HydrophobicContact CE1-CD2 3.53Å; F1707-Y1715 AromaticContact CE1-CE2 3.82Å; F1707-Y1715 HydrophobicContact CE1-CE2 3.82Å; F1707-Y1715 HydrophobicContact CE1-CG 4.09Å; F1707-I1716 VanDerWaalsContact C-CD1 3.44Å; F1707-I1716 HydrophobicContact CB-CD1 4.31Å; F1707-I1716 HydrophobicContact CB-CG1 4.39Å; F1707-I1716 WeakPolarHBondContact O-CD1 3.48Å; F1707-F1724 HydrophobicContact CB-CE1 4.36Å; F1707-F1724 HydrophobicContact CB-CZ 4.24Å; F1707-F1724 HydrophobicContact CD1-CZ 4.09Å; F1707-F1724 AromaticContact CD2-CZ 3.91Å; F1707-F1724 HydrophobicContact CD2-CZ 3.91Å; F1707-F1724 HydrophobicContact CE1-CZ 4.44Å; F1707-F1724 HydrophobicContact CE2-CZ 4.28Å; F1707-F1724 HydrophobicContact CG-CE1 4.41Å; F1707-F1724 AromaticContact CG-CZ 3.81Å; F1707-F1724 HydrophobicContact CG-CZ 3.81Å
1708I88.8Confident86.6Confident78 Ų7856.5 Ų56.540%0.428%0.276SS..Hα-helixtrans-54.4-47.2178.7-67.5167.1000111.1I1704 I1705 Y1710 Q1711 I1716I1704-I1708 HydrophobicContact CG2-CD1 3.92Å; I1704-I1708 WeakPolarHBondContact O-CG1 3.2Å; I1704-I1708 PolarHBondContact O-N 3.4Å; I1705-I1708 PolarHBondContact O-N 3.12Å; I1708-Y1710 PolarHBondContact O-N 2.91Å; I1708-Q1711 PolarHBondContact O-N 3Å; I1708-I1716 HydrophobicContact CG1-CG1 4.4Å; I1708-I1716 HydrophobicContact CG1-CG2 4.17Å
1709F88.9Confident86.2Confident162 Ų16256.3 Ų56.371%0.71128%0.276SS*.Hα-helixtrans-60.4-41.9179.4-176-92.8000113.1I1705 I1706 F1707 Q1711I1705-F1709 WeakPolarHBondContact O-CB 3.34Å; I1705-F1709 PolarHBondContact O-N 2.86Å; I1706-F1709 PolarHBondContact O-N 2.72Å; F1707-F1709 VanDerWaalsContact C-N 3.32Å; F1707-F1709 PolarHBondContact O-N 3.33Å; F1709-Q1711 PolarHBondContact O-N 3.27Å
1710Y85.8Confident86Confident56 Ų5656.2 Ų56.222%0.2228%0.275CS..THydrogen-bonded Turntrans-80.94.2176.5-81-82.8000114.1L1323 K1324 I1706 F1707 I1708 K1712L1323-Y1710 HydrophobicContact CB-CD1 4.16Å; L1323-Y1710 HydrophobicContact CB-CD2 4.07Å; L1323-Y1710 HydrophobicContact CB-CE1 4.46Å; L1323-Y1710 HydrophobicContact CB-CE2 4.38Å; L1323-Y1710 HydrophobicContact CB-CG 3.97Å; L1323-Y1710 HydrophobicContact CD1-CD2 3.89Å; L1323-Y1710 HydrophobicContact CD1-CG 4.2Å; K1324-Y1710 HydrophobicContact CB-CE1 4.33Å; I1706-Y1710 HydrophobicContact CG2-CD2 4.12Å; I1706-Y1710 HydrophobicContact CG2-CE2 4.36Å; I1706-Y1710 WeakPolarHBondContact O-CD2 3.42Å; I1706-Y1710 PolarHBondContact O-N 3.13Å; I1706-Y1710 VanDerWaalsContact O-N 3.15Å; F1707-Y1710 PolarHBondContact O-N 2.75Å; I1708-Y1710 PolarHBondContact O-N 2.91Å; Y1710-K1712 PolarHBondContact O-N 3.18Å
1711Q84.1Confident86.1Confident153 Ų15358.5 Ų58.572%0.71529%0.287SS*.THydrogen-bonded Turntrans48.934.9175.3-60.4-171.9-6.600114.6F1707 I1708 F1709 L1713F1707-Q1711 PolarHBondContact O-N 2.7Å; F1707-Q1711 VanDerWaalsContact O-N 3.17Å; I1708-Q1711 PolarHBondContact O-N 3Å; F1709-Q1711 PolarHBondContact O-N 3.27Å; Q1711-L1713 VanDerWaalsContact C-N 3.33Å; Q1711-L1713 PolarHBondContact O-N 2.03Å
1712K82.8Confident86.1Confident39 Ų3959.5 Ų59.517%0.1729%0.293CS..  trans-70.883.4179.2-174.756.1178.3165.50112.1D1640 L1643 F1707 Y1710 A1714 Y1715 I1716D1640-K1712 WeakPolarHBondContact OD1-CE 3.28Å; D1640-K1712 IonicContact OD1-NZ 3.66Å; D1640-K1712 PolarHBondContact OD1-NZ 2.69Å; D1640-K1712 WeakPolarHBondContact OD2-CE 3.34Å; D1640-K1712 IonicContact OD2-NZ 3.47Å; D1640-K1712 PolarHBondContact OD2-NZ 2.71Å; L1643-K1712 HydrophobicContact CD2-CG 4.14Å; F1707-K1712 HydrophobicContact CD1-CB 4.34Å; Y1710-K1712 PolarHBondContact O-N 3.18Å; K1712-A1714 PolarHBondContact O-N 3.09Å; K1712-Y1715 HydrophobicContact CG-CD2 3.8Å; K1712-Y1715 HydrophobicContact CG-CE2 3.99Å; K1712-Y1715 PolarHBondContact O-N 3.31Å; K1712-Y1715 VanDerWaalsContact O-N 3.09Å; K1712-I1716 HydrophobicContact CB-CD1 4.17Å; K1712-I1716 VanDerWaalsContact O-CD1 3.31Å; K1712-I1716 WeakPolarHBondContact O-CD1 2.98Å
1713L78.5Confident86.1Confident92 Ų9256.5 Ų56.548%0.48228%0.277SS..Hα-helixtrans-46.9-26.5-170.2-64.2173.4000116.6Q1711 Y1715 H1717 Y1814Q1711-L1713 VanDerWaalsContact C-N 3.33Å; Q1711-L1713 PolarHBondContact O-N 2.03Å; L1713-Y1715 PolarHBondContact O-N 2.84Å; L1713-H1717 PolarHBondContact O-N 3.36Å; L1713-Y1814 HydrophobicContact CB-CE1 4.12Å; L1713-Y1814 WeakPolarHBondContact CB-OH 3.32Å
1714A79.1Confident86.3Confident1 Ų156.4 Ų56.41%0.00828%0.276CS..Hα-helixtrans-61.6-25.517900000114.5D1640 K1712 A1811 Y1814 Y1815D1640-A1714 WeakPolarHBondContact OD2-CB 3.39Å; K1712-A1714 PolarHBondContact O-N 3.09Å; A1714-A1811 HydrophobicContact CB-CB 4.21Å; A1714-Y1814 HydrophobicContact CB-CD1 3.98Å; A1714-Y1814 HydrophobicContact CB-CG 4.43Å; A1714-Y1815 HydrophobicContact CB-CE2 4.27Å
1715Y87Confident86.4Confident2 Ų258.3 Ų58.31%0.00829%0.286CS..Hα-helixtrans-114-22.8-176.8-53.8-79.4000113.7D1640 L1643 F1707 K1712 L1713 I1721 F1724 L1807 A1811D1640-Y1715 PolarHBondContact O-OH 2.77Å; L1643-Y1715 HydrophobicContact CD2-CE2 3.9Å; F1707-Y1715 AromaticContact CD1-CD2 3.75Å; F1707-Y1715 HydrophobicContact CD1-CD2 3.75Å; F1707-Y1715 HydrophobicContact CD1-CE2 4.46Å; F1707-Y1715 HydrophobicContact CD1-CG 4.15Å; F1707-Y1715 AromaticContact CE1-CD2 3.53Å; F1707-Y1715 HydrophobicContact CE1-CD2 3.53Å; F1707-Y1715 AromaticContact CE1-CE2 3.82Å; F1707-Y1715 HydrophobicContact CE1-CE2 3.82Å; F1707-Y1715 HydrophobicContact CE1-CG 4.09Å; K1712-Y1715 HydrophobicContact CG-CD2 3.8Å; K1712-Y1715 HydrophobicContact CG-CE2 3.99Å; K1712-Y1715 PolarHBondContact O-N 3.31Å; K1712-Y1715 VanDerWaalsContact O-N 3.09Å; L1713-Y1715 PolarHBondContact O-N 2.84Å; Y1715-I1721 WeakPolarHBondContact O-CA 3.04Å; Y1715-F1724 AromaticContact CD1-CD2 3.71Å; Y1715-F1724 HydrophobicContact CD1-CD2 3.71Å; Y1715-F1724 AromaticContact CD1-CE2 3.78Å; Y1715-F1724 HydrophobicContact CD1-CE2 3.78Å; Y1715-F1724 HydrophobicContact CG-CD2 4.1Å; Y1715-F1724 AromaticContact CG-CE2 3.95Å; Y1715-F1724 HydrophobicContact CG-CE2 3.95Å; Y1715-L1807 HydrophobicContact CD1-CD2 4.14Å; Y1715-L1807 HydrophobicContact CE1-CB 4.19Å; Y1715-L1807 HydrophobicContact CE1-CD2 4.08Å; Y1715-L1807 WeakPolarHBondContact CE1-O 3.23Å; Y1715-A1811 HydrophobicContact CE1-CB 4.49Å
1716I85.6Confident86.5Confident36 Ų3657.1 Ų57.119%0.18528%0.28CS..Hα-helixtrans-103-3.5-170-52.6145.1000111.2F1707 I1708 K1712 I1721F1707-I1716 VanDerWaalsContact C-CD1 3.44Å; F1707-I1716 HydrophobicContact CB-CD1 4.31Å; F1707-I1716 HydrophobicContact CB-CG1 4.39Å; F1707-I1716 WeakPolarHBondContact O-CD1 3.48Å; I1708-I1716 HydrophobicContact CG1-CG1 4.4Å; I1708-I1716 HydrophobicContact CG1-CG2 4.17Å; K1712-I1716 HydrophobicContact CB-CD1 4.17Å; K1712-I1716 VanDerWaalsContact O-CD1 3.31Å; K1712-I1716 WeakPolarHBondContact O-CD1 2.98Å; I1716-I1721 HydrophobicContact CG2-CD1 4.12Å
1717H84.5Confident86.6Confident56 Ų5656.2 Ų56.226%0.25928%0.276SS..SBendtrans-56.5143.7175-155.3-106.9000111L1713 D1719 V1720 I1721 Y1814L1713-H1717 PolarHBondContact O-N 3.36Å; H1717-D1719 VanDerWaalsContact C-N 3.3Å; H1717-D1719 IonicContact CE1-OD1 2.81Å; H1717-D1719 PolarHBondContact CE1-OD1 3.44Å; H1717-D1719 IonicContact CE1-OD2 3.1Å; H1717-D1719 PolarHBondContact CE1-OD2 3.01Å; H1717-D1719 VanDerWaalsContact CE1-OD2 3.26Å; H1717-D1719 VanDerWaalsContact ND1-CG 3.28Å; H1717-D1719 IonicContact ND1-OD1 3.2Å; H1717-D1719 PolarHBondContact ND1-OD1 2.69Å; H1717-D1719 IonicContact ND1-OD2 2.94Å; H1717-D1719 PolarHBondContact ND1-OD2 3.45Å; H1717-D1719 PolarHBondContact O-N 3.05Å; H1717-V1720 HydrophobicContact CB-CB 4.3Å; H1717-V1720 HydrophobicContact CB-CG2 4.14Å; H1717-V1720 PolarHBondContact O-N 3.29Å; H1717-I1721 PolarHBondContact O-N 2.84Å; H1717-Y1814 HydrophobicContact CB-CD2 4.07Å; H1717-Y1814 HydrophobicContact CB-CE2 3.99Å; H1717-Y1814 AromaticContact CD2-CE2 3.75Å; H1717-Y1814 AromaticContact CG-CE2 3.82Å
1718I83.6Confident86.8Confident151 Ų15156.2 Ų56.277%0.77428%0.275SS*.Hα-helixtrans-54.4-47.5-172.9-62.9170.6000110.7V1720I1718-V1720 PolarHBondContact O-N 3.31Å; I1718-V1720 VanDerWaalsContact O-N 3.16Å
1719D80.2Confident86.9Confident74 Ų7454.8 Ų54.840%0.39627%0.268SS..Hα-helixtrans-78.317.5176.824.7-72.4000115.6H1717 R1813H1717-D1719 VanDerWaalsContact C-N 3.3Å; H1717-D1719 IonicContact CE1-OD1 2.81Å; H1717-D1719 PolarHBondContact CE1-OD1 3.44Å; H1717-D1719 IonicContact CE1-OD2 3.1Å; H1717-D1719 PolarHBondContact CE1-OD2 3.01Å; H1717-D1719 VanDerWaalsContact CE1-OD2 3.26Å; H1717-D1719 VanDerWaalsContact ND1-CG 3.28Å; H1717-D1719 IonicContact ND1-OD1 3.2Å; H1717-D1719 PolarHBondContact ND1-OD1 2.69Å; H1717-D1719 IonicContact ND1-OD2 2.94Å; H1717-D1719 PolarHBondContact ND1-OD2 3.45Å; H1717-D1719 PolarHBondContact O-N 3.05Å; D1719-R1813 PolarHBondContact O-NH1 2.89Å
1720V85Confident87.1Confident2 Ų248.3 Ų48.31%0.01224%0.241CC..Hα-helixtrans-136.2-36.1177.5179.80000112.4H1717 I1718 L1722 S1723 F1724 L1810H1717-V1720 HydrophobicContact CB-CB 4.3Å; H1717-V1720 HydrophobicContact CB-CG2 4.14Å; H1717-V1720 PolarHBondContact O-N 3.29Å; I1718-V1720 PolarHBondContact O-N 3.31Å; I1718-V1720 VanDerWaalsContact O-N 3.16Å; V1720-L1722 VanDerWaalsContact C-N 3.29Å; V1720-L1722 PolarHBondContact O-N 3.39Å; V1720-L1722 VanDerWaalsContact O-N 3.14Å; V1720-S1723 PolarHBondContact O-N 3.22Å; V1720-F1724 PolarHBondContact O-N 3.44Å; V1720-L1810 HydrophobicContact CG1-CB 4.24Å; V1720-L1810 HydrophobicContact CG1-CD1 4.21Å; V1720-L1810 HydrophobicContact CG1-CD2 4.01Å; V1720-L1810 HydrophobicContact CG1-CG 4.38Å
1721I89.3Confident87.4Confident47 Ų4745.7 Ų45.724%0.24123%0.231CC..Hα-helixtrans-56.1-37.9-168-165.7174.6000113.6Y1715 I1716 H1717 S1723 F1724 I1725Y1715-I1721 WeakPolarHBondContact O-CA 3.04Å; I1716-I1721 HydrophobicContact CG2-CD1 4.12Å; H1717-I1721 PolarHBondContact O-N 2.84Å; I1721-S1723 PolarHBondContact O-N 3.45Å; I1721-F1724 PolarHBondContact O-N 2.83Å; I1721-I1725 HydrophobicContact CG1-CD1 4.01Å; I1721-I1725 VanDerWaalsContact O-CG1 3.28Å; I1721-I1725 WeakPolarHBondContact O-CG1 3.39Å; I1721-I1725 PolarHBondContact O-N 3.08Å
1722L90.4Very high87.7Confident107 Ų10738.4 Ų38.456%0.5620%0.197SC*.Hα-helixtrans-61.8-44.7177.4-176.763.8000111.9V1720 I1725 L1726 F1841V1720-L1722 VanDerWaalsContact C-N 3.29Å; V1720-L1722 PolarHBondContact O-N 3.39Å; V1720-L1722 VanDerWaalsContact O-N 3.14Å; L1722-I1725 PolarHBondContact O-N 3.21Å; L1722-L1726 WeakPolarHBondContact O-CB 3.42Å; L1722-L1726 PolarHBondContact O-N 3.27Å; L1722-F1841 HydrophobicContact CD2-CE2 4.3Å; L1722-F1841 HydrophobicContact CD2-CZ 4.03Å; L1722-F1841 HydrophobicContact CG-CZ 4.09Å
1723S89.3Confident88.1Confident1 Ų138.9 Ų38.91%0.00720%0.201CC..Hα-helixtrans-71.7-33.5179.3-47.70000112.5V1720 I1721 L1727 P1840 F1841V1720-S1723 PolarHBondContact O-N 3.22Å; I1721-S1723 PolarHBondContact O-N 3.45Å; S1723-L1727 VanDerWaalsContact O-CB 3.28Å; S1723-L1727 WeakPolarHBondContact O-CB 3.33Å; S1723-L1727 PolarHBondContact O-N 3.22Å; S1723-P1840 WeakPolarHBondContact OG-CB 3.41Å; S1723-P1840 WeakPolarHBondContact OG-CG 3.33Å; S1723-F1841 WeakPolarHBondContact OG-CE1 3.43Å; S1723-F1841 VanDerWaalsContact OG-CE2 3.26Å; S1723-F1841 WeakPolarHBondContact OG-CE2 3.34Å; S1723-F1841 WeakPolarHBondContact OG-CZ 3.15Å
1724F91Very high88.8Confident1 Ų134.5 Ų34.50%0.00418%0.178CC..Hα-helixtrans-62.2-46.2172.2171.2-106.7000111.5I1704 F1707 Y1715 V1720 I1721 L1727 I1728 L1807 L1810I1704-F1724 HydrophobicContact CG1-CE1 4.01Å; I1704-F1724 HydrophobicContact CG2-CE1 4.4Å; F1707-F1724 HydrophobicContact CB-CE1 4.36Å; F1707-F1724 HydrophobicContact CB-CZ 4.24Å; F1707-F1724 HydrophobicContact CD1-CZ 4.09Å; F1707-F1724 AromaticContact CD2-CZ 3.91Å; F1707-F1724 HydrophobicContact CD2-CZ 3.91Å; F1707-F1724 HydrophobicContact CE1-CZ 4.44Å; F1707-F1724 HydrophobicContact CE2-CZ 4.28Å; F1707-F1724 HydrophobicContact CG-CE1 4.41Å; F1707-F1724 AromaticContact CG-CZ 3.81Å; F1707-F1724 HydrophobicContact CG-CZ 3.81Å; Y1715-F1724 AromaticContact CD1-CD2 3.71Å; Y1715-F1724 HydrophobicContact CD1-CD2 3.71Å; Y1715-F1724 AromaticContact CD1-CE2 3.78Å; Y1715-F1724 HydrophobicContact CD1-CE2 3.78Å; Y1715-F1724 HydrophobicContact CG-CD2 4.1Å; Y1715-F1724 AromaticContact CG-CE2 3.95Å; Y1715-F1724 HydrophobicContact CG-CE2 3.95Å; V1720-F1724 PolarHBondContact O-N 3.44Å; I1721-F1724 PolarHBondContact O-N 2.83Å; F1724-L1727 PolarHBondContact O-N 3.36Å; F1724-I1728 HydrophobicContact CD1-CD1 4.48Å; F1724-I1728 HydrophobicContact CD2-CD1 4.16Å; F1724-I1728 HydrophobicContact CE1-CD1 3.99Å; F1724-I1728 HydrophobicContact CE2-CD1 3.62Å; F1724-I1728 HydrophobicContact CZ-CD1 3.53Å; F1724-I1728 PolarHBondContact O-N 3.1Å; F1724-L1807 HydrophobicContact CD2-CD2 3.47Å; F1724-L1807 VanDerWaalsContact CD2-CD2 3.47Å; F1724-L1807 HydrophobicContact CE2-CD2 3.56Å; F1724-L1810 HydrophobicContact CB-CD1 4.27Å
1725I92.2Very high89.4Confident54 Ų5434.5 Ų34.528%0.27718%0.178SC..Hα-helixtrans-62.3-49175.3-68.3165.1000110.7I1704 I1721 L1722 L1727 I1728 L1729I1704-I1725 HydrophobicContact CD1-CB 4.41Å; I1704-I1725 HydrophobicContact CD1-CG1 4.01Å; I1704-I1725 HydrophobicContact CD1-CG2 4.3Å; I1704-I1725 HydrophobicContact CG1-CG1 4.49Å; I1704-I1725 HydrophobicContact CG2-CG1 4.14Å; I1721-I1725 HydrophobicContact CG1-CD1 4.01Å; I1721-I1725 VanDerWaalsContact O-CG1 3.28Å; I1721-I1725 WeakPolarHBondContact O-CG1 3.39Å; I1721-I1725 PolarHBondContact O-N 3.08Å; L1722-I1725 PolarHBondContact O-N 3.21Å; I1725-L1727 VanDerWaalsContact C-N 3.34Å; I1725-L1727 PolarHBondContact O-N 3.29Å; I1725-I1728 PolarHBondContact O-N 3.05Å; I1725-L1729 HydrophobicContact CG2-CD1 3.68Å; I1725-L1729 HydrophobicContact CG2-CG 4.39Å; I1725-L1729 WeakPolarHBondContact O-CG 3.35Å; I1725-L1729 PolarHBondContact O-N 2.93Å
1726L92.2Very high89.6Confident66 Ų6634.4 Ų34.435%0.34618%0.177SC..Hα-helixtrans-59.1-42.1179.5-111.7162.8000112.6L1722 L1729 L1730 F1841 L1850L1722-L1726 WeakPolarHBondContact O-CB 3.42Å; L1722-L1726 PolarHBondContact O-N 3.27Å; L1726-L1729 PolarHBondContact O-N 3.27Å; L1726-L1730 HydrophobicContact CD2-CD1 3.6Å; L1726-L1730 HydrophobicContact CD2-CG 3.99Å; L1726-L1730 WeakPolarHBondContact O-CB 3.28Å; L1726-L1730 WeakPolarHBondContact O-CG 3.43Å; L1726-L1730 PolarHBondContact O-N 3.48Å; L1726-F1841 HydrophobicContact CD1-CE1 3.92Å; L1726-F1841 HydrophobicContact CD1-CZ 4.33Å; L1726-L1850 HydrophobicContact CB-CD2 4.2Å
1727L92.4Very high89.9Confident0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-63.1-45.4178.9-174.670.2000112.2S1723 F1724 I1725 Y1731 L1803 L1807 L1846 L1850 L1853S1723-L1727 VanDerWaalsContact O-CB 3.28Å; S1723-L1727 WeakPolarHBondContact O-CB 3.33Å; S1723-L1727 PolarHBondContact O-N 3.22Å; F1724-L1727 PolarHBondContact O-N 3.36Å; I1725-L1727 VanDerWaalsContact C-N 3.34Å; I1725-L1727 PolarHBondContact O-N 3.29Å; L1727-Y1731 WeakPolarHBondContact O-CB 3.45Å; L1727-Y1731 PolarHBondContact O-N 2.95Å; L1727-L1803 HydrophobicContact CD2-CD1 4.45Å; L1727-L1803 HydrophobicContact CG-CD1 4.3Å; L1727-L1807 HydrophobicContact CD2-CD2 4.02Å; L1727-L1807 HydrophobicContact CD2-CG 3.98Å; L1727-L1846 HydrophobicContact CB-CD2 4.45Å; L1727-L1846 HydrophobicContact CD1-CD1 4.43Å; L1727-L1846 HydrophobicContact CD2-CD1 4.33Å; L1727-L1850 HydrophobicContact CB-CD2 4.31Å; L1727-L1850 HydrophobicContact CD1-CD2 4.27Å; L1727-L1853 HydrophobicContact CD1-CD1 4.26Å
1728I91.8Very high90.1Very high2 Ų231.3 Ų31.31%0.0116%0.162CC..Hα-helixtrans-67.1-40.4179.9-69.7175000111L1651 Y1696 I1704 F1724 I1725 L1803L1651-I1728 HydrophobicContact CD1-CG1 4.27Å; L1651-I1728 HydrophobicContact CD1-CG2 4.02Å; Y1696-I1728 WeakPolarHBondContact CE1-O 3.11Å; Y1696-I1728 PolarHBondContact OH-O 2.88Å; I1704-I1728 HydrophobicContact CG1-CD1 4.13Å; F1724-I1728 HydrophobicContact CD1-CD1 4.48Å; F1724-I1728 HydrophobicContact CD2-CD1 4.16Å; F1724-I1728 HydrophobicContact CE1-CD1 3.99Å; F1724-I1728 HydrophobicContact CE2-CD1 3.62Å; F1724-I1728 HydrophobicContact CZ-CD1 3.53Å; F1724-I1728 PolarHBondContact O-N 3.1Å; I1725-I1728 PolarHBondContact O-N 3.05Å; I1728-L1803 HydrophobicContact CG1-CD1 4.3Å
1729L91.9Very high90.4Very high48 Ų4824.2 Ų24.225%0.25113%0.126SC..Hα-helixtrans-70.2-47.5179.6-67.2173.5000112.1I1697 I1725 L1726 Y1731 G1732 I1733I1697-L1729 HydrophobicContact CG1-CD2 4.1Å; I1697-L1729 HydrophobicContact CG2-CD2 4.46Å; I1725-L1729 HydrophobicContact CG2-CD1 3.68Å; I1725-L1729 HydrophobicContact CG2-CG 4.39Å; I1725-L1729 WeakPolarHBondContact O-CG 3.35Å; I1725-L1729 PolarHBondContact O-N 2.93Å; L1726-L1729 PolarHBondContact O-N 3.27Å; L1729-Y1731 VanDerWaalsContact C-N 3.31Å; L1729-Y1731 PolarHBondContact O-N 3.32Å; L1729-G1732 PolarHBondContact O-N 3.32Å; L1729-I1733 PolarHBondContact O-N 3.5Å
1730L92.5Very high90.8Very high27 Ų2720.7 Ų20.714%0.14111%0.107CC..Hα-helixtrans-65.7-32.4178.4-75.2173.4000112.8L1726 G1732 I1733 A1734 L1850 L1853 P1854L1726-L1730 HydrophobicContact CD2-CD1 3.6Å; L1726-L1730 HydrophobicContact CD2-CG 3.99Å; L1726-L1730 WeakPolarHBondContact O-CB 3.28Å; L1726-L1730 WeakPolarHBondContact O-CG 3.43Å; L1726-L1730 PolarHBondContact O-N 3.48Å; L1730-G1732 VanDerWaalsContact C-N 3.31Å; L1730-G1732 PolarHBondContact O-N 3.49Å; L1730-I1733 HydrophobicContact CD2-CD1 4.36Å; L1730-I1733 PolarHBondContact O-N 3.04Å; L1730-A1734 PolarHBondContact O-N 2.98Å; L1730-L1850 HydrophobicContact CD1-CD2 3.93Å; L1730-L1853 HydrophobicContact CB-CB 4.06Å; L1730-L1853 HydrophobicContact CB-CD1 3.89Å; L1730-P1854 HydrophobicContact CD2-CB 4.31Å; L1730-P1854 HydrophobicContact CD2-CG 4.48Å
1731Y92.9Very high90.9Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-55.5-45.9173.3171.3-107.4000111.8L1651 Y1696 L1727 L1729 I1733 A1734 I1735 P1799 Q1800 L1803L1651-Y1731 HydrophobicContact CB-CD1 4.34Å; L1651-Y1731 HydrophobicContact CB-CE1 3.97Å; Y1696-Y1731 WeakPolarHBondContact OH-CD1 3.39Å; L1727-Y1731 WeakPolarHBondContact O-CB 3.45Å; L1727-Y1731 PolarHBondContact O-N 2.95Å; L1729-Y1731 VanDerWaalsContact C-N 3.31Å; L1729-Y1731 PolarHBondContact O-N 3.32Å; Y1731-I1733 PolarHBondContact O-N 2.86Å; Y1731-A1734 PolarHBondContact O-N 3.39Å; Y1731-I1735 HydrophobicContact CD1-CG2 4.44Å; Y1731-I1735 HydrophobicContact CE1-CG2 4.16Å; Y1731-I1735 HydrophobicContact CE2-CB 4.1Å; Y1731-I1735 HydrophobicContact CE2-CG1 4.23Å; Y1731-I1735 VanDerWaalsContact O-CB 3.3Å; Y1731-I1735 WeakPolarHBondContact O-CB 3.43Å; Y1731-I1735 WeakPolarHBondContact O-CG2 3.41Å; Y1731-I1735 PolarHBondContact O-N 3.14Å; Y1731-P1799 HydrophobicContact CD2-CB 3.81Å; Y1731-P1799 VanDerWaalsContact CD2-O 3.29Å; Y1731-P1799 WeakPolarHBondContact CD2-O 3.23Å; Y1731-P1799 HydrophobicContact CE2-CB 3.86Å; Y1731-Q1800 HydrophobicContact CE2-CG 4.16Å; Y1731-L1803 HydrophobicContact CD1-CD2 3.76Å; Y1731-L1803 HydrophobicContact CD2-CB 3.8Å; Y1731-L1803 HydrophobicContact CD2-CD2 4.18Å; Y1731-L1803 HydrophobicContact CD2-CG 4.5Å; Y1731-L1803 HydrophobicContact CE1-CD2 3.81Å; Y1731-L1803 HydrophobicContact CE2-CB 4.22Å; Y1731-L1803 HydrophobicContact CE2-CD2 4.22Å; Y1731-L1803 HydrophobicContact CG-CB 4.06Å; Y1731-L1803 HydrophobicContact CG-CD1 4.37Å; Y1731-L1803 HydrophobicContact CG-CD2 3.94Å; Y1731-L1803 HydrophobicContact CG-CG 4.34Å
1732G89.4Confident90.5Very high0 Ų021.2 Ų21.20%011%0.113CC..Hα-helixtrans-61.1-42.8177.200000113.7L1729 L1730 A1734 I1736L1729-G1732 PolarHBondContact O-N 3.32Å; L1730-G1732 VanDerWaalsContact C-N 3.31Å; L1730-G1732 PolarHBondContact O-N 3.49Å; G1732-A1734 VanDerWaalsContact C-N 3.35Å; G1732-I1736 WeakPolarHBondContact O-CD1 3.29Å; G1732-I1736 VanDerWaalsContact O-CG1 3.31Å; G1732-I1736 WeakPolarHBondContact O-CG1 3.41Å; G1732-I1736 PolarHBondContact O-N 2.96Å
1733I92Very high90.2Very high50 Ų5016.4 Ų16.426%0.2569%0.088SC..Hα-helixtrans-64.3-40179.1-65.4168.9000110.4Y1689 L1729 L1730 Y1731 P1737 A1857Y1689-I1733 WeakPolarHBondContact OH-CG2 3.35Å; Y1689-I1733 PolarHBondContact OH-O 3.26Å; Y1689-I1733 VanDerWaalsContact OH-O 3.13Å; L1729-I1733 PolarHBondContact O-N 3.5Å; L1730-I1733 HydrophobicContact CD2-CD1 4.36Å; L1730-I1733 PolarHBondContact O-N 3.04Å; Y1731-I1733 PolarHBondContact O-N 2.86Å; I1733-P1737 WeakPolarHBondContact O-CD 3.3Å; I1733-A1857 HydrophobicContact CG2-CB 3.88Å; I1733-A1857 WeakPolarHBondContact O-CB 3.44Å
1734A92.7Very high89.8Confident0 Ų019.4 Ų19.40%010%0.101CC..Hα-helixtrans-74.5-41.6177.500000114L1730 Y1731 G1732 P1799 L1853L1730-A1734 PolarHBondContact O-N 2.98Å; Y1731-A1734 PolarHBondContact O-N 3.39Å; G1732-A1734 VanDerWaalsContact C-N 3.35Å; A1734-P1799 HydrophobicContact CB-CB 4.14Å; A1734-P1799 HydrophobicContact CB-CG 3.91Å; A1734-L1853 HydrophobicContact CB-CB 4Å; A1734-L1853 HydrophobicContact CB-CD2 3.58Å; A1734-L1853 HydrophobicContact CB-CG 4.41Å; A1734-L1853 VanDerWaalsContact CB-O 3.26Å; A1734-L1853 WeakPolarHBondContact CB-O 3.44Å
1735I91.2Very high89.2Confident0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-76.3-32.8-169.6-168.358.4000113.3P1655 Y1731 M1738 L1739 P1799 Q1800P1655-I1735 HydrophobicContact CB-CG1 4.39Å; P1655-I1735 HydrophobicContact CB-CG2 4.07Å; P1655-I1735 HydrophobicContact CG-CG1 4.23Å; P1655-I1735 HydrophobicContact CG-CG2 3.46Å; P1655-I1735 VanDerWaalsContact CG-CG2 3.46Å; Y1731-I1735 HydrophobicContact CD1-CG2 4.44Å; Y1731-I1735 HydrophobicContact CE1-CG2 4.16Å; Y1731-I1735 HydrophobicContact CE2-CB 4.1Å; Y1731-I1735 HydrophobicContact CE2-CG1 4.23Å; Y1731-I1735 VanDerWaalsContact O-CB 3.3Å; Y1731-I1735 WeakPolarHBondContact O-CB 3.43Å; Y1731-I1735 WeakPolarHBondContact O-CG2 3.41Å; Y1731-I1735 PolarHBondContact O-N 3.14Å; I1735-M1738 HydrophobicContact CD1-CE 3.69Å; I1735-M1738 HydrophobicContact CD1-SD 4.15Å; I1735-M1738 PolarHBondContact O-N 2.88Å; I1735-L1739 HydrophobicContact CD1-CD1 3.93Å; I1735-L1739 HydrophobicContact CD1-CD2 4.41Å; I1735-L1739 HydrophobicContact CD1-CG 3.98Å; I1735-L1739 HydrophobicContact CG1-CD1 3.68Å; I1735-L1739 HydrophobicContact CG1-CG 4.19Å; I1735-L1739 VanDerWaalsContact O-CG 3.27Å; I1735-L1739 WeakPolarHBondContact O-CG 3.03Å; I1735-L1739 PolarHBondContact O-N 2.87Å; I1735-L1739 VanDerWaalsContact O-N 3.13Å; I1735-P1799 HydrophobicContact CB-CB 4.45Å; I1735-P1799 HydrophobicContact CD1-CB 4.39Å; I1735-P1799 HydrophobicContact CD1-CG 4.48Å; I1735-Q1800 HydrophobicContact CD1-CG 4.27Å; I1735-Q1800 VanDerWaalsContact CD1-NE2 3.34Å
1736I91.5Very high88.2Confident1 Ų125.3 Ų25.31%0.00513%0.126CC..Hα-helixtrans-63.5-50.6-177.4-67.5166.2000111.2P1655 F1658 Y1689 D1692 G1732 M1738 L1739 Y1740P1655-I1736 HydrophobicContact CB-CG1 4.2Å; P1655-I1736 HydrophobicContact CG-CG1 4.49Å; F1658-I1736 HydrophobicContact CD2-CD1 4.29Å; F1658-I1736 HydrophobicContact CD2-CG1 4.43Å; F1658-I1736 HydrophobicContact CE2-CD1 4.11Å; Y1689-I1736 HydrophobicContact CD2-CB 4.47Å; Y1689-I1736 HydrophobicContact CD2-CG2 3.93Å; Y1689-I1736 HydrophobicContact CE2-CB 4.35Å; Y1689-I1736 HydrophobicContact CE2-CG2 4.29Å; D1692-I1736 HydrophobicContact CB-CD1 4.18Å; D1692-I1736 HydrophobicContact CB-CG2 4.41Å; G1732-I1736 WeakPolarHBondContact O-CD1 3.29Å; G1732-I1736 VanDerWaalsContact O-CG1 3.31Å; G1732-I1736 WeakPolarHBondContact O-CG1 3.41Å; G1732-I1736 PolarHBondContact O-N 2.96Å; I1736-M1738 PolarHBondContact O-N 3.44Å; I1736-L1739 PolarHBondContact O-N 2.9Å; I1736-Y1740 HydrophobicContact CG2-CD1 4.09Å; I1736-Y1740 HydrophobicContact CG2-CE1 3.45Å; I1736-Y1740 VanDerWaalsContact CG2-CE1 3.45Å; I1736-Y1740 HydrophobicContact CG2-CE2 4.11Å; I1736-Y1740 VanDerWaalsContact CG2-CZ 3.46Å; I1736-Y1740 VanDerWaalsContact O-CD1 3.3Å; I1736-Y1740 WeakPolarHBondContact O-CD1 3.03Å; I1736-Y1740 PolarHBondContact O-N 3.36Å
1737P91.3Very high87.2Confident0 Ų029.3 Ų29.30%015%0.147CC..Hα-helixtrans-63.7-39.5175.4-23.936.6000113.3Y1689 I1733 L1739 Y1740 I1741 F1860 F1861 I1864Y1689-P1737 HydrophobicContact CD2-CG 4.2Å; Y1689-P1737 HydrophobicContact CE2-CG 3.47Å; Y1689-P1737 VanDerWaalsContact CE2-CG 3.47Å; I1733-P1737 WeakPolarHBondContact O-CD 3.3Å; P1737-L1739 PolarHBondContact O-N 3.47Å; P1737-Y1740 PolarHBondContact O-N 2.68Å; P1737-I1741 PolarHBondContact O-N 3.5Å; P1737-F1860 HydrophobicContact CB-CB 3.76Å; P1737-F1861 HydrophobicContact CB-CB 4.3Å; P1737-I1864 HydrophobicContact CB-CD1 4.33Å
1738M89.3Confident86.1Confident26 Ų2631.6 Ų31.613%0.12816%0.163CC..Hα-helixtrans-55-42177.1-167.1-160.585.500111.4I1735 I1736 P1799 F1860I1735-M1738 HydrophobicContact CD1-CE 3.69Å; I1735-M1738 HydrophobicContact CD1-SD 4.15Å; I1735-M1738 PolarHBondContact O-N 2.88Å; I1736-M1738 PolarHBondContact O-N 3.44Å; M1738-P1799 HydrophobicContact SD-CG 4.27Å; M1738-F1860 HydrophobicContact CB-CD2 3.6Å; M1738-F1860 HydrophobicContact CB-CE2 3.74Å; M1738-F1860 HydrophobicContact CB-CG 4.18Å; M1738-F1860 HydrophobicContact CB-CZ 4.4Å; M1738-F1860 HydrophobicContact CG-CD2 3.93Å; M1738-F1860 HydrophobicContact CG-CE1 4.28Å; M1738-F1860 HydrophobicContact CG-CE2 3.59Å; M1738-F1860 HydrophobicContact CG-CG 4.43Å; M1738-F1860 HydrophobicContact CG-CZ 3.79Å; M1738-F1860 HydrophobicContact SD-CE2 4.42Å
1739L89Confident84.7Confident2 Ų232.5 Ų32.51%0.0117%0.169CC..Hα-helixtrans-84.1-25.7-177.9-60170.7000113.3P1655 I1659 I1735 I1736 P1737 I1741 A1742 L1756 N1760P1655-L1739 HydrophobicContact CB-CD1 3.59Å; I1659-L1739 HydrophobicContact CD1-CB 3.15Å; I1659-L1739 HydrophobicContact CD1-CD1 4.42Å; I1659-L1739 HydrophobicContact CD1-CG 4.41Å; I1659-L1739 WeakPolarHBondContact CD1-O 2.98Å; I1735-L1739 HydrophobicContact CD1-CD1 3.93Å; I1735-L1739 HydrophobicContact CD1-CD2 4.41Å; I1735-L1739 HydrophobicContact CD1-CG 3.98Å; I1735-L1739 HydrophobicContact CG1-CD1 3.68Å; I1735-L1739 HydrophobicContact CG1-CG 4.19Å; I1735-L1739 VanDerWaalsContact O-CG 3.27Å; I1735-L1739 WeakPolarHBondContact O-CG 3.03Å; I1735-L1739 PolarHBondContact O-N 2.87Å; I1735-L1739 VanDerWaalsContact O-N 3.13Å; I1736-L1739 PolarHBondContact O-N 2.9Å; P1737-L1739 PolarHBondContact O-N 3.47Å; L1739-I1741 PolarHBondContact O-N 2.62Å; L1739-A1742 VanDerWaalsContact O-CB 3.26Å; L1739-A1742 WeakPolarHBondContact O-CB 3.45Å; L1739-A1742 PolarHBondContact O-N 3.49Å; L1739-L1756 HydrophobicContact CD2-CD2 4.02Å; L1739-N1760 VanDerWaalsContact CD1-ND2 3.29Å; L1739-N1760 WeakPolarHBondContact CD1-ND2 3.41Å; L1739-N1760 WeakPolarHBondContact CD2-OD1 3.49Å
1740Y90.5Very high83.2Confident0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-56.8-33169.1-77.65.7000111.5I1659 L1662 W1685 N1688 Y1689 D1692 I1736 P1737 A1742 T1743 I1864I1659-Y1740 HydrophobicContact CD1-CD1 4.01Å; I1659-Y1740 HydrophobicContact CG1-CD1 3.82Å; I1659-Y1740 HydrophobicContact CG1-CE1 4.18Å; L1662-Y1740 HydrophobicContact CD1-CD1 3.61Å; L1662-Y1740 HydrophobicContact CD1-CE1 3.24Å; L1662-Y1740 HydrophobicContact CD1-CE2 4.44Å; L1662-Y1740 HydrophobicContact CD1-CG 4.34Å; W1685-Y1740 AromaticContact CE3-CD2 3.67Å; W1685-Y1740 HydrophobicContact CE3-CD2 3.67Å; W1685-Y1740 AromaticContact CE3-CE2 3.91Å; W1685-Y1740 HydrophobicContact CE3-CE2 3.91Å; W1685-Y1740 HydrophobicContact CE3-CG 4.45Å; W1685-Y1740 AromaticContact CZ3-CD2 3.54Å; W1685-Y1740 HydrophobicContact CZ3-CD2 3.54Å; W1685-Y1740 HydrophobicContact CZ3-CE2 4.04Å; W1685-Y1740 AromaticContact CZ3-CG 3.86Å; W1685-Y1740 HydrophobicContact CZ3-CG 3.86Å; N1688-Y1740 PolarHBondContact O-OH 2.88Å; Y1689-Y1740 PolarHBondContact N-OH 3.39Å; D1692-Y1740 PolarHBondContact OD2-OH 3.39Å; I1736-Y1740 HydrophobicContact CG2-CD1 4.09Å; I1736-Y1740 HydrophobicContact CG2-CE1 3.45Å; I1736-Y1740 VanDerWaalsContact CG2-CE1 3.45Å; I1736-Y1740 HydrophobicContact CG2-CE2 4.11Å; I1736-Y1740 VanDerWaalsContact CG2-CZ 3.46Å; I1736-Y1740 VanDerWaalsContact O-CD1 3.3Å; I1736-Y1740 WeakPolarHBondContact O-CD1 3.03Å; I1736-Y1740 PolarHBondContact O-N 3.36Å; P1737-Y1740 PolarHBondContact O-N 2.68Å; Y1740-A1742 PolarHBondContact O-N 3.12Å; Y1740-A1742 VanDerWaalsContact O-N 3.17Å; Y1740-T1743 WeakPolarHBondContact O-CB 3.48Å; Y1740-T1743 WeakPolarHBondContact O-CG2 3.37Å; Y1740-T1743 PolarHBondContact O-N 3.31Å; Y1740-T1743 PolarHBondContact O-OG1 3Å; Y1740-I1864 VanDerWaalsContact CB-CD1 3.41Å; Y1740-I1864 HydrophobicContact CD2-CD1 3.93Å; Y1740-I1864 HydrophobicContact CG-CD1 4.19Å
1741I86.7Confident82Confident41 Ų4131.9 Ų31.921%0.2117%0.17CC..G310 helixtrans-59.3-28.8174.5-63.2169.9000111.7P1737 L1739 T1743 F1744 F1745 F1860 F1863 I1864P1737-I1741 PolarHBondContact O-N 3.5Å; L1739-I1741 PolarHBondContact O-N 2.62Å; I1741-T1743 PolarHBondContact O-N 3.42Å; I1741-F1744 WeakPolarHBondContact O-CD2 3.48Å; I1741-F1745 HydrophobicContact CG2-CE2 4.35Å; I1741-F1745 WeakPolarHBondContact O-CD2 3.33Å; I1741-F1860 HydrophobicContact CD1-CB 3.9Å; I1741-F1860 HydrophobicContact CD1-CD1 3.57Å; I1741-F1860 HydrophobicContact CD1-CE1 4.49Å; I1741-F1860 HydrophobicContact CD1-CG 4.08Å; I1741-F1863 HydrophobicContact CD1-CB 4.21Å; I1741-I1864 HydrophobicContact CG1-CD1 4.35Å; I1741-I1864 HydrophobicContact CG1-CG1 3.81Å
1742A81Confident81.1Confident20 Ų2031.9 Ų31.917%0.16517%0.17CC..G310 helixtrans-73.5-19.8176.100000114L1739 Y1740 F1744 F1745 I1746 L1756L1739-A1742 VanDerWaalsContact O-CB 3.26Å; L1739-A1742 WeakPolarHBondContact O-CB 3.45Å; L1739-A1742 PolarHBondContact O-N 3.49Å; Y1740-A1742 PolarHBondContact O-N 3.12Å; Y1740-A1742 VanDerWaalsContact O-N 3.17Å; A1742-F1744 PolarHBondContact O-N 3.12Å; A1742-F1744 VanDerWaalsContact O-N 3.1Å; A1742-F1745 PolarHBondContact O-N 2.98Å; A1742-I1746 HydrophobicContact CB-CD1 4.39Å; A1742-I1746 PolarHBondContact O-N 3.02Å; A1742-I1746 VanDerWaalsContact O-N 3.17Å; A1742-L1756 HydrophobicContact CB-CD1 4.38Å; A1742-L1756 HydrophobicContact CB-CD2 3.59Å
1743T83.7Confident80.4Confident6 Ų632.5 Ų32.54%0.03717%0.173CC..G310 helixtrans-60.9-24.1178.168.50000112.5I1659 L1662 V1663 Y1740 I1741I1659-T1743 HydrophobicContact CG1-CG2 4.26Å; I1659-T1743 HydrophobicContact CG2-CG2 3.81Å; L1662-T1743 HydrophobicContact CB-CG2 4.08Å; V1663-T1743 HydrophobicContact CG2-CG2 4.07Å; Y1740-T1743 WeakPolarHBondContact O-CB 3.48Å; Y1740-T1743 WeakPolarHBondContact O-CG2 3.37Å; Y1740-T1743 PolarHBondContact O-N 3.31Å; Y1740-T1743 PolarHBondContact O-OG1 3Å; I1741-T1743 PolarHBondContact O-N 3.42Å
1744F80.3Confident79.3Confident63 Ų6330.2 Ų30.228%0.27616%0.161SC..G310 helixtrans-82.9-12.8179.4-60.7-80.6000113.9W1685 I1741 A1742 I1864 K1867W1685-F1744 HydrophobicContact CH2-CZ 4.38Å; W1685-F1744 HydrophobicContact CZ2-CE1 4.5Å; W1685-F1744 HydrophobicContact CZ2-CE2 4.36Å; W1685-F1744 AromaticContact CZ2-CZ 3.79Å; W1685-F1744 HydrophobicContact CZ2-CZ 3.79Å; I1741-F1744 WeakPolarHBondContact O-CD2 3.48Å; A1742-F1744 PolarHBondContact O-N 3.12Å; A1742-F1744 VanDerWaalsContact O-N 3.1Å; F1744-I1864 HydrophobicContact CE2-CG2 4.24Å; F1744-I1864 HydrophobicContact CZ-CG2 4.25Å; F1744-K1867 HydrophobicContact CB-CD 4.38Å; F1744-K1867 HydrophobicContact CD1-CD 4.16Å; F1744-K1867 HydrophobicContact CD1-CG 4.46Å; F1744-K1867 HydrophobicContact CD2-CD 3.83Å; F1744-K1867 HydrophobicContact CE1-CD 4.36Å; F1744-K1867 HydrophobicContact CE1-CG 4.31Å; F1744-K1867 HydrophobicContact CE2-CD 4.04Å; F1744-K1867 HydrophobicContact CG-CD 3.88Å; F1744-K1867 VanDerWaalsContact CG-CE 3.5Å; F1744-K1867 HydrophobicContact CZ-CD 4.3Å; F1744-K1867 HydrophobicContact CZ-CG 4.35Å
1745F78.7Confident78.4Confident153 Ų15332.4 Ų32.467%0.67117%0.173SC*.THydrogen-bonded Turntrans-106.7-24.1179.4-64.3-78.6000112.5I1741 A1742I1741-F1745 HydrophobicContact CG2-CE2 4.35Å; I1741-F1745 WeakPolarHBondContact O-CD2 3.33Å; A1742-F1745 PolarHBondContact O-N 2.98Å
1746I72.3Confident77.8Confident26 Ų2632.8 Ų32.813%0.13318%0.175CC..  trans-103.8109-177.3-50.8175.4000109.9V1663 A1742 I1755 L1756V1663-I1746 WeakPolarHBondContact CG1-O 3.37Å; A1742-I1746 HydrophobicContact CB-CD1 4.39Å; A1742-I1746 PolarHBondContact O-N 3.02Å; A1742-I1746 VanDerWaalsContact O-N 3.17Å; I1746-I1755 HydrophobicContact CD1-CB 4.45Å; I1746-I1755 HydrophobicContact CD1-CG2 4.31Å; I1746-L1756 HydrophobicContact CD1-CD1 4.36Å; I1746-L1756 HydrophobicContact CD1-CD2 4.2Å; I1746-L1756 HydrophobicContact CD1-CG 4.15Å
1747L69.3Low77Confident151 Ų15133.1 Ų33.179%0.79118%0.177SC*.  trans-75.9-29.8-177.3-74.3151.1000113.9
1748S69.7Low76.1Confident48 Ų4833.8 Ų33.834%0.33618%0.18SC..  trans-107.2121.4-172.951.10000112.5S1750 T1751 S1752S1748-S1750 VanDerWaalsContact C-N 3.31Å; S1748-S1750 PolarHBondContact O-N 3.3Å; S1748-T1751 PolarHBondContact O-N 2.85Å; S1748-T1751 VanDerWaalsContact O-N 3.11Å; S1748-T1751 PolarHBondContact O-OG1 3.37Å; S1748-T1751 VanDerWaalsContact O-OG1 3.14Å; S1748-T1751 VanDerWaalsContact OG-CG2 3.26Å; S1748-T1751 WeakPolarHBondContact OG-CG2 3.41Å; S1748-T1751 PolarHBondContact OG-OG1 3.22Å; S1748-S1752 PolarHBondContact O-N 2.86Å
1749P62.6Low75.5Confident21 Ų2137.6 Ų37.614%0.13620%0.197CC..Hα-helixtrans-71.6-23.7-16826.9-35.8000114.6S1660 V1663 K1664 S1752S1660-P1749 WeakPolarHBondContact CB-O 3.36Å; S1660-P1749 VanDerWaalsContact O-CB 3.32Å; S1660-P1749 WeakPolarHBondContact O-CB 3.35Å; S1660-P1749 PolarHBondContact OG-O 3.03Å; V1663-P1749 HydrophobicContact CB-CB 4Å; V1663-P1749 VanDerWaalsContact CG1-CA 3.5Å; V1663-P1749 HydrophobicContact CG1-CB 3.9Å; K1664-P1749 HydrophobicContact CB-CB 3.73Å; K1664-P1749 HydrophobicContact CB-CG 4.03Å; K1664-P1749 HydrophobicContact CG-CG 4.39Å; P1749-S1752 PolarHBondContact O-OG 3.01Å; P1749-S1752 VanDerWaalsContact O-OG 3.07Å
1750S60Low75.2Confident44 Ų4437.5 Ų37.531%0.30820%0.196SC..Hα-helixtrans-70.8-39.617457.90000110.4N662 S1748N662-S1750 WeakPolarHBondContact CB-O 3.43Å; N662-S1750 VanDerWaalsContact ND2-CB 3.26Å; N662-S1750 WeakPolarHBondContact ND2-CB 3.35Å; N662-S1750 PolarHBondContact ND2-OG 2.87Å; N662-S1750 PolarHBondContact OD1-O 3.15Å; S1748-S1750 VanDerWaalsContact C-N 3.31Å; S1748-S1750 PolarHBondContact O-N 3.3Å
1751T67.9Low74.5Confident17 Ų1738.1 Ų38.110%0.10420%0.199CC..Hα-helixtrans-77.7-30-175.8770000114.3N662 S1748 L1753 V1754 I1755N662-T1751 WeakPolarHBondContact OD1-CA 3.43Å; S1748-T1751 PolarHBondContact O-N 2.85Å; S1748-T1751 VanDerWaalsContact O-N 3.11Å; S1748-T1751 PolarHBondContact O-OG1 3.37Å; S1748-T1751 VanDerWaalsContact O-OG1 3.14Å; S1748-T1751 VanDerWaalsContact OG-CG2 3.26Å; S1748-T1751 WeakPolarHBondContact OG-CG2 3.41Å; S1748-T1751 PolarHBondContact OG-OG1 3.22Å; T1751-L1753 VanDerWaalsContact C-N 3.29Å; T1751-L1753 PolarHBondContact O-N 2.9Å; T1751-V1754 PolarHBondContact O-N 3.45Å; T1751-I1755 WeakPolarHBondContact O-CD1 3.43Å; T1751-I1755 VanDerWaalsContact O-CG1 3.24Å; T1751-I1755 WeakPolarHBondContact O-CG1 3.31Å; T1751-I1755 PolarHBondContact O-N 2.76Å
1752S74.8Confident73.8Confident0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-57.2-43.6177.858.80000112S1748 P1749 V1754 I1755 L1756S1748-S1752 PolarHBondContact O-N 2.86Å; P1749-S1752 PolarHBondContact O-OG 3.01Å; P1749-S1752 VanDerWaalsContact O-OG 3.07Å; S1752-V1754 VanDerWaalsContact C-N 3.32Å; S1752-V1754 PolarHBondContact O-N 3.4Å; S1752-I1755 PolarHBondContact O-N 3.33Å; S1752-L1756 VanDerWaalsContact O-CB 3.3Å; S1752-L1756 WeakPolarHBondContact O-CB 3.41Å; S1752-L1756 WeakPolarHBondContact O-CG 3.31Å; S1752-L1756 PolarHBondContact O-N 3.45Å
1753L74.6Confident73.8Confident14 Ų1437.2 Ų37.27%0.07319%0.192CC..Hα-helixtrans-52.6-46.7178.2-17168.9000112.7I666 I1310 A1656 S1657 T1751 S1757I666-L1753 HydrophobicContact CD1-CB 4.27Å; I666-L1753 HydrophobicContact CD1-CD1 4.45Å; I666-L1753 HydrophobicContact CD1-CD2 3.32Å; I666-L1753 HydrophobicContact CD1-CG 3.37Å; I1310-L1753 HydrophobicContact CD1-CD2 4.44Å; A1656-L1753 HydrophobicContact CB-CD1 4.42Å; A1656-L1753 VanDerWaalsContact O-CD1 3.32Å; A1656-L1753 WeakPolarHBondContact O-CD1 3.21Å; S1657-L1753 VanDerWaalsContact CA-CD1 3.4Å; T1751-L1753 VanDerWaalsContact C-N 3.29Å; T1751-L1753 PolarHBondContact O-N 2.9Å; L1753-S1757 WeakPolarHBondContact O-CB 3.24Å; L1753-S1757 PolarHBondContact O-N 3Å; L1753-S1757 PolarHBondContact O-OG 3.06Å
1754V68.1Low73.6Confident1 Ų137 Ų371%0.00619%0.19CC..Hα-helixtrans-73.7-48-179.3-177.30000111N662 A665 I666 T1751 S1752 L1756 S1757 I1758N662-V1754 HydrophobicContact CB-CG2 3.52Å; N662-V1754 WeakPolarHBondContact O-CG2 3.49Å; N662-V1754 WeakPolarHBondContact OD1-CG2 3.31Å; A665-V1754 HydrophobicContact CB-CB 4.39Å; A665-V1754 HydrophobicContact CB-CG1 3.6Å; A665-V1754 HydrophobicContact CB-CG2 3.79Å; I666-V1754 HydrophobicContact CD1-CG2 4.11Å; I666-V1754 HydrophobicContact CG1-CG2 4.14Å; T1751-V1754 PolarHBondContact O-N 3.45Å; S1752-V1754 VanDerWaalsContact C-N 3.32Å; S1752-V1754 PolarHBondContact O-N 3.4Å; V1754-L1756 VanDerWaalsContact C-N 3.33Å; V1754-L1756 PolarHBondContact O-N 3.24Å; V1754-S1757 PolarHBondContact O-OG 2.94Å; V1754-S1757 VanDerWaalsContact O-OG 3.1Å; V1754-I1758 HydrophobicContact CG1-CD1 3.64Å; V1754-I1758 HydrophobicContact CG1-CG1 4.43Å; V1754-I1758 WeakPolarHBondContact O-CB 3.37Å; V1754-I1758 VanDerWaalsContact O-CG1 3.24Å; V1754-I1758 WeakPolarHBondContact O-CG1 3.13Å; V1754-I1758 PolarHBondContact O-N 3.15Å; V1754-I1758 VanDerWaalsContact O-N 3.07Å
1755I73Confident73.5Confident47 Ų4734.1 Ų34.124%0.24118%0.178CC..Hα-helixtrans-62.4-44.4-174.7-65.9163.5000110F40 I1746 T1751 S1752 F1759F40-I1755 HydrophobicContact CE1-CD1 3.95Å; F40-I1755 HydrophobicContact CE1-CG1 4.04Å; F40-I1755 HydrophobicContact CZ-CD1 3.75Å; F40-I1755 HydrophobicContact CZ-CG1 4.37Å; I1746-I1755 HydrophobicContact CD1-CB 4.45Å; I1746-I1755 HydrophobicContact CD1-CG2 4.31Å; T1751-I1755 WeakPolarHBondContact O-CD1 3.43Å; T1751-I1755 VanDerWaalsContact O-CG1 3.24Å; T1751-I1755 WeakPolarHBondContact O-CG1 3.31Å; T1751-I1755 PolarHBondContact O-N 2.76Å; S1752-I1755 PolarHBondContact O-N 3.33Å; I1755-F1759 WeakPolarHBondContact O-CB 3.47Å; I1755-F1759 PolarHBondContact O-N 3.49Å
1756L79.1Confident73.4Confident8 Ų828.2 Ų28.24%0.04215%0.153CC..Hα-helixtrans-73.6-41.4-176.9-61.5170.9000112.1A1656 I1659 L1739 A1742 I1746 S1752 V1754 I1758 F1759 N1760A1656-L1756 HydrophobicContact CB-CB 4.11Å; I1659-L1756 HydrophobicContact CB-CD1 4.13Å; I1659-L1756 HydrophobicContact CD1-CD1 4.18Å; I1659-L1756 HydrophobicContact CG2-CD1 3.42Å; I1659-L1756 VanDerWaalsContact CG2-CD1 3.42Å; L1739-L1756 HydrophobicContact CD2-CD2 4.02Å; A1742-L1756 HydrophobicContact CB-CD1 4.38Å; A1742-L1756 HydrophobicContact CB-CD2 3.59Å; I1746-L1756 HydrophobicContact CD1-CD1 4.36Å; I1746-L1756 HydrophobicContact CD1-CD2 4.2Å; I1746-L1756 HydrophobicContact CD1-CG 4.15Å; S1752-L1756 VanDerWaalsContact O-CB 3.3Å; S1752-L1756 WeakPolarHBondContact O-CB 3.41Å; S1752-L1756 WeakPolarHBondContact O-CG 3.31Å; S1752-L1756 PolarHBondContact O-N 3.45Å; V1754-L1756 VanDerWaalsContact C-N 3.33Å; V1754-L1756 PolarHBondContact O-N 3.24Å; L1756-I1758 VanDerWaalsContact C-N 3.34Å; L1756-I1758 PolarHBondContact O-N 3.31Å; L1756-F1759 PolarHBondContact O-N 3.05Å; L1756-N1760 VanDerWaalsContact O-CB 3.29Å; L1756-N1760 WeakPolarHBondContact O-CB 3.34Å; L1756-N1760 PolarHBondContact O-N 2.96Å; L1756-N1760 PolarHBondContact O-ND2 3.21Å; L1756-N1760 VanDerWaalsContact O-ND2 3.16Å; L1756-N1760 PolarHBondContact O-OD1 2.79Å
1757S75.4Confident73.9Confident7 Ų727.4 Ų27.45%0.04915%0.149CC..Hα-helixtrans-61.6-41.4174.752.20000112.4L1753 V1754 L1761L1753-S1757 WeakPolarHBondContact O-CB 3.24Å; L1753-S1757 PolarHBondContact O-N 3Å; L1753-S1757 PolarHBondContact O-OG 3.06Å; V1754-S1757 PolarHBondContact O-OG 2.94Å; V1754-S1757 VanDerWaalsContact O-OG 3.1Å; S1757-L1761 WeakPolarHBondContact O-CB 3.27Å; S1757-L1761 PolarHBondContact O-N 3.38Å; S1757-L1761 VanDerWaalsContact O-N 3.16Å
1758I72.5Confident74.4Confident14 Ų1420.2 Ų20.27%0.07211%0.112CC..Hα-helixtrans-65.4-49.4175.3-67172.9000111.4L568 M571 V1754 L1756 N1760 L1761 L1762L568-I1758 HydrophobicContact CB-CG2 4.26Å; L568-I1758 HydrophobicContact CD1-CG2 3.91Å; L568-I1758 HydrophobicContact CG-CG2 4.29Å; M571-I1758 HydrophobicContact CB-CD1 3.71Å; M571-I1758 HydrophobicContact CE-CD1 3.78Å; M571-I1758 HydrophobicContact CE-CG1 3.5Å; M571-I1758 HydrophobicContact CG-CD1 4.32Å; M571-I1758 HydrophobicContact SD-CD1 3.67Å; M571-I1758 HydrophobicContact SD-CG1 3.51Å; M571-I1758 VanDerWaalsContact SD-CG1 3.51Å; V1754-I1758 HydrophobicContact CG1-CD1 3.64Å; V1754-I1758 HydrophobicContact CG1-CG1 4.43Å; V1754-I1758 WeakPolarHBondContact O-CB 3.37Å; V1754-I1758 VanDerWaalsContact O-CG1 3.24Å; V1754-I1758 WeakPolarHBondContact O-CG1 3.13Å; V1754-I1758 PolarHBondContact O-N 3.15Å; V1754-I1758 VanDerWaalsContact O-N 3.07Å; L1756-I1758 VanDerWaalsContact C-N 3.34Å; L1756-I1758 PolarHBondContact O-N 3.31Å; I1758-N1760 VanDerWaalsContact C-N 3.33Å; I1758-N1760 PolarHBondContact O-N 3.17Å; I1758-L1761 PolarHBondContact O-N 3.13Å; I1758-L1762 HydrophobicContact CG2-CD1 3.63Å; I1758-L1762 HydrophobicContact CG2-CG 4.15Å; I1758-L1762 WeakPolarHBondContact O-CB 3.34Å; I1758-L1762 WeakPolarHBondContact O-CG 3.48Å; I1758-L1762 PolarHBondContact O-N 3.43Å
1759F77.3Confident74.7Confident107 Ų10718.4 Ų18.447%0.46910%0.098SC..Hα-helixtrans-57.9-46.1-178.7-176.2-102.9000111.3I1755 L1756 L1761 L1762 I1763I1755-F1759 WeakPolarHBondContact O-CB 3.47Å; I1755-F1759 PolarHBondContact O-N 3.49Å; L1756-F1759 PolarHBondContact O-N 3.05Å; F1759-L1761 PolarHBondContact O-N 3.05Å; F1759-L1762 PolarHBondContact O-N 2.93Å; F1759-I1763 HydrophobicContact CD1-CD1 3.85Å; F1759-I1763 HydrophobicContact CD2-CD1 4.01Å; F1759-I1763 HydrophobicContact CE1-CD1 3.47Å; F1759-I1763 VanDerWaalsContact CE1-CD1 3.47Å; F1759-I1763 HydrophobicContact CE2-CD1 3.65Å; F1759-I1763 HydrophobicContact CG-CD1 4.11Å; F1759-I1763 HydrophobicContact CZ-CD1 3.37Å; F1759-I1763 WeakPolarHBondContact O-CB 3.28Å; F1759-I1763 WeakPolarHBondContact O-CG1 3.36Å; F1759-I1763 PolarHBondContact O-N 3.41Å
1760N80.8Confident75.4Confident0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-64.6-41180-63.6-12.3000113L1739 L1756 I1758 G1764 Q1800L1739-N1760 VanDerWaalsContact CD1-ND2 3.29Å; L1739-N1760 WeakPolarHBondContact CD1-ND2 3.41Å; L1739-N1760 WeakPolarHBondContact CD2-OD1 3.49Å; L1756-N1760 VanDerWaalsContact O-CB 3.29Å; L1756-N1760 WeakPolarHBondContact O-CB 3.34Å; L1756-N1760 PolarHBondContact O-N 2.96Å; L1756-N1760 PolarHBondContact O-ND2 3.21Å; L1756-N1760 VanDerWaalsContact O-ND2 3.16Å; L1756-N1760 PolarHBondContact O-OD1 2.79Å; I1758-N1760 VanDerWaalsContact C-N 3.33Å; I1758-N1760 PolarHBondContact O-N 3.17Å; N1760-G1764 PolarHBondContact O-N 3.37Å; N1760-Q1800 HydrophobicContact CB-CG 4.23Å; N1760-Q1800 VanDerWaalsContact CG-NE2 3.34Å; N1760-Q1800 WeakPolarHBondContact O-CG 3.32Å; N1760-Q1800 PolarHBondContact O-OE1 3.37Å; N1760-Q1800 PolarHBondContact OD1-NE2 2.9Å
1761L75.9Confident76.4Confident12 Ų1216 Ų166%0.0638%0.082CC..Hα-helixtrans-69.7-47.2179.1178.8140.4000111.4F673 L1649 S1757 I1758 F1759 S1765F673-L1761 HydrophobicContact CD2-CD1 4.05Å; F673-L1761 HydrophobicContact CE2-CD1 3.38Å; F673-L1761 HydrophobicContact CE2-CD2 3.6Å; F673-L1761 HydrophobicContact CE2-CG 4.09Å; F673-L1761 HydrophobicContact CZ-CD1 4Å; F673-L1761 HydrophobicContact CZ-CD2 3.86Å; F673-L1761 HydrophobicContact CZ-CG 4.41Å; L1649-L1761 HydrophobicContact CB-CD1 3.85Å; L1649-L1761 HydrophobicContact CD1-CD1 3.44Å; L1649-L1761 VanDerWaalsContact CD1-CD1 3.44Å; L1649-L1761 HydrophobicContact CG-CD1 4.14Å; S1757-L1761 WeakPolarHBondContact O-CB 3.27Å; S1757-L1761 PolarHBondContact O-N 3.38Å; S1757-L1761 VanDerWaalsContact O-N 3.16Å; I1758-L1761 PolarHBondContact O-N 3.13Å; F1759-L1761 PolarHBondContact O-N 3.05Å; L1761-S1765 VanDerWaalsContact O-CB 3.26Å; L1761-S1765 WeakPolarHBondContact O-CB 3.39Å; L1761-S1765 PolarHBondContact O-N 3.06Å; L1761-S1765 PolarHBondContact O-OG 3.13Å
1762L73.5Confident76.8Confident13 Ų1315.8 Ų15.87%0.0688%0.08CC..Hα-helixtrans-64.8-44-177.2-73.7177.5000111.3V47 L564 I567 L568 I1758 F1759 S1765 I1766V47-L1762 HydrophobicContact CG1-CD1 3.97Å; V47-L1762 HydrophobicContact CG1-CD2 4.2Å; V47-L1762 HydrophobicContact CG2-CD1 4.28Å; L564-L1762 HydrophobicContact CD2-CD2 4.34Å; I567-L1762 HydrophobicContact CG2-CD2 4.09Å; L568-L1762 HydrophobicContact CB-CD1 4.23Å; L568-L1762 HydrophobicContact CD1-CD1 3.86Å; I1758-L1762 HydrophobicContact CG2-CD1 3.63Å; I1758-L1762 HydrophobicContact CG2-CG 4.15Å; I1758-L1762 WeakPolarHBondContact O-CB 3.34Å; I1758-L1762 WeakPolarHBondContact O-CG 3.48Å; I1758-L1762 PolarHBondContact O-N 3.43Å; F1759-L1762 PolarHBondContact O-N 2.93Å; L1762-S1765 PolarHBondContact O-OG 3.37Å; L1762-I1766 HydrophobicContact CB-CD1 4.29Å; L1762-I1766 HydrophobicContact CD2-CD1 4.35Å; L1762-I1766 WeakPolarHBondContact O-CB 3.36Å; L1762-I1766 WeakPolarHBondContact O-CG1 3.04Å; L1762-I1766 PolarHBondContact O-N 2.83Å
1763I81.3Confident76.8Confident30 Ų3016.3 Ų16.315%0.1548%0.082CC..Hα-helixtrans-62-54.1177.9-71.5173.2000110.3F1759 S1765 T1767 F1798 Q1800F1759-I1763 HydrophobicContact CD1-CD1 3.85Å; F1759-I1763 HydrophobicContact CD2-CD1 4.01Å; F1759-I1763 HydrophobicContact CE1-CD1 3.47Å; F1759-I1763 VanDerWaalsContact CE1-CD1 3.47Å; F1759-I1763 HydrophobicContact CE2-CD1 3.65Å; F1759-I1763 HydrophobicContact CG-CD1 4.11Å; F1759-I1763 HydrophobicContact CZ-CD1 3.37Å; F1759-I1763 WeakPolarHBondContact O-CB 3.28Å; F1759-I1763 WeakPolarHBondContact O-CG1 3.36Å; F1759-I1763 PolarHBondContact O-N 3.41Å; I1763-S1765 PolarHBondContact O-N 3Å; I1763-T1767 HydrophobicContact CG2-CG2 4.21Å; I1763-T1767 VanDerWaalsContact O-CB 3.29Å; I1763-T1767 WeakPolarHBondContact O-CB 3.18Å; I1763-T1767 VanDerWaalsContact O-CG2 3.22Å; I1763-T1767 WeakPolarHBondContact O-CG2 3.5Å; I1763-T1767 PolarHBondContact O-N 2.79Å; I1763-T1767 PolarHBondContact O-OG1 3.14Å; I1763-F1798 HydrophobicContact CD1-CD1 4.39Å; I1763-F1798 HydrophobicContact CD1-CE1 4.31Å; I1763-F1798 HydrophobicContact CG2-CB 3.76Å; I1763-F1798 HydrophobicContact CG2-CD1 3.85Å; I1763-F1798 HydrophobicContact CG2-CD2 4.01Å; I1763-F1798 HydrophobicContact CG2-CE1 4.46Å; I1763-F1798 HydrophobicContact CG2-CG 3.59Å; I1763-Q1800 VanDerWaalsContact CG2-OE1 3.27Å
1764G78.8Confident76.8Confident0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-64.3-35.7-178.100000114.4L1648 N1760 T1767 C1768 S1804L1648-G1764 VanDerWaalsContact CD2-C 3.41Å; N1760-G1764 PolarHBondContact O-N 3.37Å; G1764-T1767 PolarHBondContact O-OG1 3.48Å; G1764-C1768 WeakPolarHBondContact O-CB 3.4Å; G1764-C1768 PolarHBondContact O-N 2.84Å; G1764-S1804 PolarHBondContact O-OG 2.68Å; G1764-S1804 VanDerWaalsContact O-OG 3.14Å
1765S77.1Confident77.2Confident3 Ų317.1 Ų17.12%0.0219%0.087CC..Hα-helixtrans-73.8-46.5177.657.20000112.7L564 L1761 L1762 I1763 M1769L564-S1765 WeakPolarHBondContact CD2-OG 3.33Å; L1761-S1765 VanDerWaalsContact O-CB 3.26Å; L1761-S1765 WeakPolarHBondContact O-CB 3.39Å; L1761-S1765 PolarHBondContact O-N 3.06Å; L1761-S1765 PolarHBondContact O-OG 3.13Å; L1762-S1765 PolarHBondContact O-OG 3.37Å; I1763-S1765 PolarHBondContact O-N 3Å; S1765-M1769 WeakPolarHBondContact O-CB 3.42Å; S1765-M1769 VanDerWaalsContact O-CG 3.27Å; S1765-M1769 WeakPolarHBondContact O-CG 3.47Å; S1765-M1769 PolarHBondContact O-N 3.46Å
1766I76.7Confident77.1Confident29 Ų2919.3 Ų19.315%0.14910%0.099CC..Hα-helixtrans-68.1-46.7-179.5-63.9169.7000110.7L1762 C1768 M1769 C1770L1762-I1766 HydrophobicContact CB-CD1 4.29Å; L1762-I1766 HydrophobicContact CD2-CD1 4.35Å; L1762-I1766 WeakPolarHBondContact O-CB 3.36Å; L1762-I1766 WeakPolarHBondContact O-CG1 3.04Å; L1762-I1766 PolarHBondContact O-N 2.83Å; I1766-C1768 PolarHBondContact O-N 2.87Å; I1766-M1769 PolarHBondContact O-N 3.06Å; I1766-C1770 WeakPolarHBondContact O-CB 3.28Å; I1766-C1770 PolarHBondContact O-N 2.78Å; I1766-C1770 PolarHBondContact O-SG 3.45Å
1767T82.6Confident76.6Confident9 Ų919.9 Ų19.96%0.05510%0.101CC..Hα-helixtrans-61.8-43.1178.954.40000112.1I1763 G1764 C1770 T1771 F1795 Y1801I1763-T1767 HydrophobicContact CG2-CG2 4.21Å; I1763-T1767 VanDerWaalsContact O-CB 3.29Å; I1763-T1767 WeakPolarHBondContact O-CB 3.18Å; I1763-T1767 VanDerWaalsContact O-CG2 3.22Å; I1763-T1767 WeakPolarHBondContact O-CG2 3.5Å; I1763-T1767 PolarHBondContact O-N 2.79Å; I1763-T1767 PolarHBondContact O-OG1 3.14Å; G1764-T1767 PolarHBondContact O-OG1 3.48Å; T1767-C1770 PolarHBondContact O-N 3.26Å; T1767-T1771 PolarHBondContact O-N 2.95Å; T1767-T1771 PolarHBondContact O-OG1 2.79Å; T1767-F1795 HydrophobicContact CG2-CB 4.47Å; T1767-F1795 HydrophobicContact CG2-CD1 3.89Å; T1767-F1795 HydrophobicContact CG2-CD2 3.74Å; T1767-F1795 HydrophobicContact CG2-CE1 3.95Å; T1767-F1795 HydrophobicContact CG2-CE2 3.79Å; T1767-F1795 HydrophobicContact CG2-CG 3.79Å; T1767-F1795 HydrophobicContact CG2-CZ 3.9Å; T1767-Y1801 WeakPolarHBondContact OG1-CB 3.48Å
1768C81.6Confident76.4Confident0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-58.9-53.6174-167.20000110.5G1764 I1766 C1770 T1771 L1772 S1804G1764-C1768 WeakPolarHBondContact O-CB 3.4Å; G1764-C1768 PolarHBondContact O-N 2.84Å; I1766-C1768 PolarHBondContact O-N 2.87Å; C1768-C1770 VanDerWaalsContact C-N 3.35Å; C1768-C1770 PolarHBondContact O-N 3.01Å; C1768-T1771 PolarHBondContact O-N 3.2Å; C1768-T1771 PolarHBondContact O-OG1 3.44Å; C1768-L1772 WeakPolarHBondContact O-CB 3.17Å; C1768-L1772 WeakPolarHBondContact O-CG 3.45Å; C1768-L1772 PolarHBondContact O-N 3.34Å; C1768-S1804 WeakPolarHBondContact CB-OG 3.36Å
1769M76.3Confident76Confident11 Ų1126.1 Ų26.15%0.05413%0.13CC..Hα-helixtrans-59.7-39.4179.9-72.9-62.5147.400113.6L561 L1641 L1645 S1765 I1766 L1772 I1773L561-M1769 HydrophobicContact CD2-CB 3.67Å; L561-M1769 HydrophobicContact CD2-CG 3.55Å; L561-M1769 HydrophobicContact CD2-SD 3.8Å; L1641-M1769 HydrophobicContact CD1-CE 4.12Å; L1641-M1769 HydrophobicContact CD2-CE 3.49Å; L1641-M1769 VanDerWaalsContact CD2-CE 3.49Å; L1641-M1769 HydrophobicContact CG-CE 3.75Å; L1645-M1769 HydrophobicContact CD1-CE 3.61Å; L1645-M1769 HydrophobicContact CD2-CE 4.3Å; L1645-M1769 HydrophobicContact CG-CE 4.05Å; S1765-M1769 WeakPolarHBondContact O-CB 3.42Å; S1765-M1769 VanDerWaalsContact O-CG 3.27Å; S1765-M1769 WeakPolarHBondContact O-CG 3.47Å; S1765-M1769 PolarHBondContact O-N 3.46Å; I1766-M1769 PolarHBondContact O-N 3.06Å; M1769-L1772 HydrophobicContact CE-CD1 3.79Å; M1769-L1772 PolarHBondContact O-N 3.44Å; M1769-L1772 HydrophobicContact SD-CD1 3.91Å; M1769-I1773 WeakPolarHBondContact O-CD1 3.23Å; M1769-I1773 VanDerWaalsContact O-CG1 3.24Å; M1769-I1773 WeakPolarHBondContact O-CG1 3.48Å; M1769-I1773 PolarHBondContact O-N 2.89Å
1770C76.7Confident75.2Confident15 Ų1526.7 Ų26.710%0.10114%0.138CC..Hα-helixtrans-61.9-46.6177.1-660000111.7I1766 T1767 C1768 L1772 L1774 F1795I1766-C1770 WeakPolarHBondContact O-CB 3.28Å; I1766-C1770 PolarHBondContact O-N 2.78Å; I1766-C1770 PolarHBondContact O-SG 3.45Å; T1767-C1770 PolarHBondContact O-N 3.26Å; C1768-C1770 VanDerWaalsContact C-N 3.35Å; C1768-C1770 PolarHBondContact O-N 3.01Å; C1770-L1772 VanDerWaalsContact C-N 3.33Å; C1770-L1772 PolarHBondContact O-N 2.99Å; C1770-L1774 WeakPolarHBondContact O-CB 3.41Å; C1770-L1774 VanDerWaalsContact O-CG 3.29Å; C1770-L1774 WeakPolarHBondContact O-CG 3.11Å; C1770-L1774 PolarHBondContact O-N 3.47Å; C1770-F1795 HydrophobicContact CB-CE2 4.42Å
1771T80.9Confident74.7Confident0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-70.9-26.4177.264.80000113.6T1767 C1768 D1775 I1791 K1792 F1795 Y1801 R1805T1767-T1771 PolarHBondContact O-N 2.95Å; T1767-T1771 PolarHBondContact O-OG1 2.79Å; C1768-T1771 PolarHBondContact O-N 3.2Å; C1768-T1771 PolarHBondContact O-OG1 3.44Å; T1771-D1775 WeakPolarHBondContact O-CB 3.39Å; T1771-D1775 PolarHBondContact O-N 3.35Å; T1771-I1791 HydrophobicContact CG2-CG2 4.13Å; T1771-K1792 HydrophobicContact CG2-CG 3.98Å; T1771-F1795 HydrophobicContact CG2-CD2 3.94Å; T1771-F1795 HydrophobicContact CG2-CE2 4.21Å; T1771-Y1801 HydrophobicContact CG2-CE2 3.81Å; T1771-R1805 PolarHBondContact O-NH1 2.97Å; T1771-R1805 PolarHBondContact OG1-NH1 3.44Å
1772L76.1Confident74.7Confident12 Ų1235.2 Ų35.26%0.06318%0.183CC..Hα-helixtrans-69.3-47174.5-73.9166.1000111.4L1641 C1768 M1769 C1770 L1774 D1775 D1776 F1808L1641-L1772 HydrophobicContact CD1-CD1 3.77Å; L1641-L1772 HydrophobicContact CD1-CD2 4.46Å; L1641-L1772 HydrophobicContact CG-CD1 4.17Å; C1768-L1772 WeakPolarHBondContact O-CB 3.17Å; C1768-L1772 WeakPolarHBondContact O-CG 3.45Å; C1768-L1772 PolarHBondContact O-N 3.34Å; M1769-L1772 HydrophobicContact CE-CD1 3.79Å; M1769-L1772 PolarHBondContact O-N 3.44Å; M1769-L1772 HydrophobicContact SD-CD1 3.91Å; C1770-L1772 VanDerWaalsContact C-N 3.33Å; C1770-L1772 PolarHBondContact O-N 2.99Å; L1772-L1774 VanDerWaalsContact C-N 3.35Å; L1772-D1775 PolarHBondContact O-N 2.85Å; L1772-D1776 PolarHBondContact O-N 3.17Å; L1772-F1808 HydrophobicContact CD2-CD1 3.48Å; L1772-F1808 VanDerWaalsContact CD2-CD1 3.48Å; L1772-F1808 HydrophobicContact CD2-CD2 4Å; L1772-F1808 HydrophobicContact CD2-CE1 3.18Å; L1772-F1808 HydrophobicContact CD2-CE2 3.75Å; L1772-F1808 HydrophobicContact CD2-CG 3.86Å; L1772-F1808 HydrophobicContact CD2-CZ 3.32Å
1773I74.2Confident74.9Confident10 Ų1038.4 Ų38.45%0.05120%0.202CC..Hα-helixtrans-62.4-46.2175.7-59.6159.2000109.3L55 I58 L557 L561 M1769 D1775 D1776 F1777L55-I1773 HydrophobicContact CD2-CD1 4.46Å; I58-I1773 HydrophobicContact CD1-CB 4.47Å; I58-I1773 HydrophobicContact CD1-CG2 3.64Å; L557-I1773 HydrophobicContact CD2-CD1 4.42Å; L557-I1773 HydrophobicContact CD2-CG1 3.81Å; L561-I1773 HydrophobicContact CD1-CD1 3.81Å; M1769-I1773 WeakPolarHBondContact O-CD1 3.23Å; M1769-I1773 VanDerWaalsContact O-CG1 3.24Å; M1769-I1773 WeakPolarHBondContact O-CG1 3.48Å; M1769-I1773 PolarHBondContact O-N 2.89Å; I1773-D1775 VanDerWaalsContact C-N 3.34Å; I1773-D1775 PolarHBondContact O-N 2.93Å; I1773-D1776 PolarHBondContact O-N 3.24Å; I1773-D1776 VanDerWaalsContact O-N 3.16Å; I1773-F1777 HydrophobicContact CG2-CD2 4.08Å; I1773-F1777 HydrophobicContact CG2-CE2 4.01Å; I1773-F1777 WeakPolarHBondContact O-CD2 3.46Å; I1773-F1777 PolarHBondContact O-N 2.87Å
1774L75.4Confident74.6Confident17 Ų1737.7 Ų37.79%0.08920%0.199CC..Hα-helixtrans-60.8-37.8179.2-71.8169.6000113.1I58 C1770 L1772 D1776 F1777 S1778 L1784 N1788 I1791I58-L1774 HydrophobicContact CD1-CD2 4.21Å; I58-L1774 HydrophobicContact CG1-CD2 4.46Å; C1770-L1774 WeakPolarHBondContact O-CB 3.41Å; C1770-L1774 VanDerWaalsContact O-CG 3.29Å; C1770-L1774 WeakPolarHBondContact O-CG 3.11Å; C1770-L1774 PolarHBondContact O-N 3.47Å; L1772-L1774 VanDerWaalsContact C-N 3.35Å; L1774-D1776 VanDerWaalsContact C-N 3.3Å; L1774-D1776 PolarHBondContact O-N 3.28Å; L1774-F1777 PolarHBondContact O-N 3.28Å; L1774-S1778 WeakPolarHBondContact O-CB 3.42Å; L1774-S1778 PolarHBondContact O-N 3.04Å; L1774-S1778 PolarHBondContact O-OG 3.46Å; L1774-L1784 HydrophobicContact CD2-CD2 4.45Å; L1774-N1788 HydrophobicContact CB-CB 4.04Å; L1774-N1788 HydrophobicContact CD1-CB 4.48Å; L1774-I1791 HydrophobicContact CD1-CD1 3.82Å
1775D75.2Confident74.5Confident15 Ų1540.8 Ų40.88%0.0822%0.216CC..Hα-helixtrans-60.3-34.4174.8-89.48.4000114T1771 L1772 I1773 F1777 Q1779 N1788 K1792 R1805 K1812T1771-D1775 WeakPolarHBondContact O-CB 3.39Å; T1771-D1775 PolarHBondContact O-N 3.35Å; L1772-D1775 PolarHBondContact O-N 2.85Å; I1773-D1775 VanDerWaalsContact C-N 3.34Å; I1773-D1775 PolarHBondContact O-N 2.93Å; D1775-F1777 VanDerWaalsContact C-N 3.33Å; D1775-Q1779 PolarHBondContact O-NE2 3.14Å; D1775-Q1779 VanDerWaalsContact O-NE2 3.09Å; D1775-N1788 PolarHBondContact N-ND2 3.41Å; D1775-N1788 PolarHBondContact OD1-ND2 3.48Å; D1775-K1792 WeakPolarHBondContact OD1-CE 3.33Å; D1775-K1792 IonicContact OD1-NZ 2.71Å; D1775-K1792 PolarHBondContact OD1-NZ 2.84Å; D1775-R1805 IonicContact OD2-CZ 3.61Å; D1775-R1805 IonicContact OD2-NH1 2.64Å; D1775-R1805 PolarHBondContact OD2-NH1 3.05Å; D1775-R1805 IonicContact OD2-NH2 2.68Å; D1775-R1805 PolarHBondContact OD2-NH2 3.16Å; D1775-K1812 IonicContact OD2-NZ 3.58Å; D1775-K1812 PolarHBondContact OD2-NZ 3.21Å
1776D71.6Confident74.8Confident93 Ų9346.1 Ų46.150%0.49724%0.242SC..Hα-helixtrans-82.1-11.4-177.6-81.9-1.9000112.9K553 L1772 I1773 L1774K553-D1776 PolarHBondContact NZ-O 2.72Å; L1772-D1776 PolarHBondContact O-N 3.17Å; I1773-D1776 PolarHBondContact O-N 3.24Å; I1773-D1776 VanDerWaalsContact O-N 3.16Å; L1774-D1776 VanDerWaalsContact C-N 3.3Å; L1774-D1776 PolarHBondContact O-N 3.28Å
1777F69.4Low75Confident21 Ų2148.8 Ų48.89%0.09226%0.255CS..Hα-helixtrans-108.1-30.5172-71.1-82.2000113.4I58 F550 K553 I554 I1773 L1774 D1775 Q1779 N1780 L1784I58-F1777 HydrophobicContact CG2-CD2 3.98Å; I58-F1777 HydrophobicContact CG2-CE2 4.18Å; I58-F1777 HydrophobicContact CG2-CG 4.25Å; F550-F1777 HydrophobicContact CB-CE1 4.28Å; F550-F1777 HydrophobicContact CB-CZ 4.4Å; F550-F1777 HydrophobicContact CD2-CE1 4.18Å; F550-F1777 AromaticContact CD2-CZ 3.87Å; F550-F1777 HydrophobicContact CD2-CZ 3.87Å; F550-F1777 HydrophobicContact CG-CZ 4.41Å; K553-F1777 HydrophobicContact CB-CZ 4.23Å; K553-F1777 HydrophobicContact CD-CD1 4.45Å; K553-F1777 HydrophobicContact CD-CE1 3.89Å; K553-F1777 HydrophobicContact CD-CE2 4.48Å; K553-F1777 HydrophobicContact CD-CZ 3.9Å; I554-F1777 HydrophobicContact CD1-CE2 3.77Å; I554-F1777 HydrophobicContact CD1-CZ 3.76Å; I554-F1777 HydrophobicContact CG1-CE2 4.11Å; I554-F1777 HydrophobicContact CG1-CZ 4.14Å; I1773-F1777 HydrophobicContact CG2-CD2 4.08Å; I1773-F1777 HydrophobicContact CG2-CE2 4.01Å; I1773-F1777 WeakPolarHBondContact O-CD2 3.46Å; I1773-F1777 PolarHBondContact O-N 2.87Å; L1774-F1777 PolarHBondContact O-N 3.28Å; D1775-F1777 VanDerWaalsContact C-N 3.33Å; F1777-Q1779 PolarHBondContact O-N 2.82Å; F1777-Q1779 VanDerWaalsContact O-N 3.15Å; F1777-N1780 PolarHBondContact O-N 2.73Å; F1777-L1784 HydrophobicContact CB-CD1 4.31Å
1778S70.6Confident75Confident8 Ų848.3 Ų48.36%0.05625%0.252CS..THydrogen-bonded Turntrans-72.9-5.9-174.377.10000115.4L1774 N1780 N1785 N1788L1774-S1778 WeakPolarHBondContact O-CB 3.42Å; L1774-S1778 PolarHBondContact O-N 3.04Å; L1774-S1778 PolarHBondContact O-OG 3.46Å; S1778-N1780 PolarHBondContact O-N 3.01Å; S1778-N1785 PolarHBondContact OG-OD1 3.25Å; S1778-N1788 PolarHBondContact OG-ND2 3.11Å
1779Q63.4Low75.1Confident143 Ų14351.9 Ų51.967%0.66827%0.271SS*.THydrogen-bonded Turntrans-65.6-25.1174.1-70.6170.749.900113D1775 F1777D1775-Q1779 PolarHBondContact O-NE2 3.14Å; D1775-Q1779 VanDerWaalsContact O-NE2 3.09Å; F1777-Q1779 PolarHBondContact O-N 2.82Å; F1777-Q1779 VanDerWaalsContact O-N 3.15Å
1780N60.9Low75.5Confident120 Ų12056.2 Ų56.264%0.64229%0.294SS*.THydrogen-bonded Turntrans-104.4-32.2-179.2-63.79.4000112.8F1777 S1778F1777-N1780 PolarHBondContact O-N 2.73Å; S1778-N1780 PolarHBondContact O-N 3.01Å
1781N70.6Confident75.9Confident58 Ų5857.7 Ų57.731%0.3130%0.3SS..  trans-110.5114.4-173.8-71.217.2000111.7T1783 L1784 N1785N1781-T1783 VanDerWaalsContact C-N 3.31Å; N1781-T1783 PolarHBondContact O-N 3.11Å; N1781-L1784 HydrophobicContact CB-CB 4.11Å; N1781-L1784 HydrophobicContact CB-CD1 4.02Å; N1781-L1784 HydrophobicContact CB-CG 4.16Å; N1781-L1784 PolarHBondContact O-N 3.23Å; N1781-N1785 PolarHBondContact O-N 3.41Å; N1781-N1785 VanDerWaalsContact O-N 3.1Å
1782I76.3Confident76.1Confident133 Ų13359.5 Ų59.568%0.68231%0.308SS*.Hα-helixtrans-61.4-38.1-178-56175000111.9N1785 M1786I1782-N1785 WeakPolarHBondContact O-CB 3.33Å; I1782-N1785 PolarHBondContact O-N 2.8Å; I1782-M1786 HydrophobicContact CG2-CE 4.03Å; I1782-M1786 PolarHBondContact O-N 2.84Å; I1782-M1786 VanDerWaalsContact O-N 3.08Å
1783T77.2Confident76.6Confident79 Ų7964.4 Ų64.449%0.48533%0.333SS..Hα-helixtrans-59.2-53.2176.146.70000111.8N1781 N1785 M1786 I1787N1781-T1783 VanDerWaalsContact C-N 3.31Å; N1781-T1783 PolarHBondContact O-N 3.11Å; T1783-N1785 PolarHBondContact O-N 2.7Å; T1783-M1786 PolarHBondContact O-N 2.83Å; T1783-I1787 WeakPolarHBondContact O-CG1 3.43Å; T1783-I1787 PolarHBondContact O-N 2.84Å
1784L74.7Confident77.3Confident15 Ų1568.4 Ų68.48%0.07935%0.353CS..Hα-helixtrans-59.7-31.8175.4-72.4178.1000112E61 L1774 F1777 N1781 N1788E61-L1784 HydrophobicContact CB-CD1 4.32Å; E61-L1784 HydrophobicContact CG-CD2 4.34Å; L1774-L1784 HydrophobicContact CD2-CD2 4.45Å; F1777-L1784 HydrophobicContact CB-CD1 4.31Å; N1781-L1784 HydrophobicContact CB-CB 4.11Å; N1781-L1784 HydrophobicContact CB-CD1 4.02Å; N1781-L1784 HydrophobicContact CB-CG 4.16Å; N1781-L1784 PolarHBondContact O-N 3.23Å; L1784-N1788 WeakPolarHBondContact O-CB 3.48Å; L1784-N1788 PolarHBondContact O-N 2.9Å
1785N77.8Confident77.9Confident66 Ų6669.6 Ų69.635%0.35336%0.358SS..Hα-helixtrans-69.5-40.5177.3-157.735.3000112.7S1778 N1781 I1782 T1783 N1789S1778-N1785 PolarHBondContact OG-OD1 3.25Å; N1781-N1785 PolarHBondContact O-N 3.41Å; N1781-N1785 VanDerWaalsContact O-N 3.1Å; I1782-N1785 WeakPolarHBondContact O-CB 3.33Å; I1782-N1785 PolarHBondContact O-N 2.8Å; T1783-N1785 PolarHBondContact O-N 2.7Å; N1785-N1789 VanDerWaalsContact O-CG 3.25Å; N1785-N1789 PolarHBondContact O-N 3.41Å; N1785-N1789 VanDerWaalsContact O-N 3.07Å; N1785-N1789 PolarHBondContact O-ND2 3.03Å
1786M81.8Confident78.6Confident115 Ų11570.4 Ų70.457%0.56736%0.361SS*.Hα-helixtrans-64-46.8172.4-73.8-168.2-99.200111.7I1782 T1783 N1788 N1789 I1790I1782-M1786 HydrophobicContact CG2-CE 4.03Å; I1782-M1786 PolarHBondContact O-N 2.84Å; I1782-M1786 VanDerWaalsContact O-N 3.08Å; T1783-M1786 PolarHBondContact O-N 2.83Å; M1786-N1788 PolarHBondContact O-N 2.9Å; M1786-N1789 PolarHBondContact O-N 3.18Å; M1786-I1790 WeakPolarHBondContact O-CG1 3.45Å; M1786-I1790 PolarHBondContact O-N 3.08Å
1787I81.3Confident79.3Confident84 Ų8470.9 Ų70.943%0.43136%0.363SS..Hα-helixtrans-59.5-46.4177.7-66.7166.2000110.9T1783 N1789 I1790 I1791T1783-I1787 WeakPolarHBondContact O-CG1 3.43Å; T1783-I1787 PolarHBondContact O-N 2.84Å; I1787-N1789 VanDerWaalsContact C-N 3.35Å; I1787-N1789 PolarHBondContact O-N 3.19Å; I1787-I1790 PolarHBondContact O-N 3.19Å; I1787-I1791 HydrophobicContact CG2-CD1 3.7Å; I1787-I1791 HydrophobicContact CG2-CG1 4.43Å; I1787-I1791 WeakPolarHBondContact O-CB 3.26Å; I1787-I1791 VanDerWaalsContact O-CG1 3.32Å; I1787-I1791 WeakPolarHBondContact O-CG1 3.03Å; I1787-I1791 PolarHBondContact O-N 3.35Å
1788N82.6Confident80.2Confident0 Ų073 Ų730%037%0.372CS..Hα-helixtrans-57.2-45.4176.6-174.98.4000111.6L1774 D1775 S1778 L1784 M1786 I1791 K1792L1774-N1788 HydrophobicContact CB-CB 4.04Å; L1774-N1788 HydrophobicContact CD1-CB 4.48Å; D1775-N1788 PolarHBondContact N-ND2 3.41Å; D1775-N1788 PolarHBondContact OD1-ND2 3.48Å; S1778-N1788 PolarHBondContact OG-ND2 3.11Å; L1784-N1788 WeakPolarHBondContact O-CB 3.48Å; L1784-N1788 PolarHBondContact O-N 2.9Å; M1786-N1788 PolarHBondContact O-N 2.9Å; N1788-I1791 PolarHBondContact O-N 3.43Å; N1788-K1792 PolarHBondContact ND2-NZ 3.09Å; N1788-K1792 VanDerWaalsContact ND2-NZ 3.14Å; N1788-K1792 VanDerWaalsContact O-CG 3.23Å; N1788-K1792 WeakPolarHBondContact O-CG 3.25Å; N1788-K1792 PolarHBondContact O-N 3.09Å; N1788-K1792 WeakPolarHBondContact OD1-CE 3.36Å; N1788-K1792 PolarHBondContact OD1-NZ 3.5Å
1789N83.6Confident81.2Confident75 Ų7572.6 Ų72.640%0.40137%0.369SS..Hα-helixtrans-66.9-37.9178.9-69.1-19.9000113.3N1785 M1786 I1787 K1792 I1793N1785-N1789 VanDerWaalsContact O-CG 3.25Å; N1785-N1789 PolarHBondContact O-N 3.41Å; N1785-N1789 VanDerWaalsContact O-N 3.07Å; N1785-N1789 PolarHBondContact O-ND2 3.03Å; M1786-N1789 PolarHBondContact O-N 3.18Å; I1787-N1789 VanDerWaalsContact C-N 3.35Å; I1787-N1789 PolarHBondContact O-N 3.19Å; N1789-K1792 PolarHBondContact O-N 3.42Å; N1789-I1793 WeakPolarHBondContact O-CG1 3.08Å; N1789-I1793 PolarHBondContact O-N 3.28Å
1790I85.7Confident82.4Confident102 Ų10265.8 Ų65.852%0.52334%0.337SS..Hα-helixtrans-64.1-45.7173.4-66.8165.3000110.6M1786 I1787 K1792 I1793 I1794M1786-I1790 WeakPolarHBondContact O-CG1 3.45Å; M1786-I1790 PolarHBondContact O-N 3.08Å; I1787-I1790 PolarHBondContact O-N 3.19Å; I1790-K1792 VanDerWaalsContact C-N 3.35Å; I1790-K1792 PolarHBondContact O-N 3.31Å; I1790-I1793 PolarHBondContact O-N 3.39Å; I1790-I1794 HydrophobicContact CG2-CD1 3.83Å; I1790-I1794 WeakPolarHBondContact O-CG1 3.44Å; I1790-I1794 PolarHBondContact O-N 3.45Å
1791I84.9Confident83.8Confident45 Ų4560.2 Ų60.223%0.23131%0.307CS..Hα-helixtrans-60.7-42.4177.6-71.5171.4000111.4T1771 L1774 I1787 N1788 I1793 I1794 F1795T1771-I1791 HydrophobicContact CG2-CG2 4.13Å; L1774-I1791 HydrophobicContact CD1-CD1 3.82Å; I1787-I1791 HydrophobicContact CG2-CD1 3.7Å; I1787-I1791 HydrophobicContact CG2-CG1 4.43Å; I1787-I1791 WeakPolarHBondContact O-CB 3.26Å; I1787-I1791 VanDerWaalsContact O-CG1 3.32Å; I1787-I1791 WeakPolarHBondContact O-CG1 3.03Å; I1787-I1791 PolarHBondContact O-N 3.35Å; N1788-I1791 PolarHBondContact O-N 3.43Å; I1791-I1793 VanDerWaalsContact C-N 3.3Å; I1791-I1793 PolarHBondContact O-N 2.87Å; I1791-I1794 PolarHBondContact O-N 3.01Å; I1791-F1795 HydrophobicContact CG2-CD2 3.63Å; I1791-F1795 HydrophobicContact CG2-CE1 4.3Å; I1791-F1795 HydrophobicContact CG2-CE2 3.28Å; I1791-F1795 HydrophobicContact CG2-CG 4.29Å; I1791-F1795 HydrophobicContact CG2-CZ 3.66Å; I1791-F1795 WeakPolarHBondContact O-CB 3.46Å; I1791-F1795 WeakPolarHBondContact O-CG 3.26Å; I1791-F1795 PolarHBondContact O-N 3.17Å
1792K84.6Confident84.7Confident38 Ų3857.4 Ų57.417%0.16529%0.293CS..Hα-helixtrans-58.1-39.6175.7-73.9163.8172.2157.80112.5T1771 D1775 N1788 N1789 I1790 H1796 Y1801T1771-K1792 HydrophobicContact CG2-CG 3.98Å; D1775-K1792 WeakPolarHBondContact OD1-CE 3.33Å; D1775-K1792 IonicContact OD1-NZ 2.71Å; D1775-K1792 PolarHBondContact OD1-NZ 2.84Å; N1788-K1792 PolarHBondContact ND2-NZ 3.09Å; N1788-K1792 VanDerWaalsContact ND2-NZ 3.14Å; N1788-K1792 VanDerWaalsContact O-CG 3.23Å; N1788-K1792 WeakPolarHBondContact O-CG 3.25Å; N1788-K1792 PolarHBondContact O-N 3.09Å; N1788-K1792 WeakPolarHBondContact OD1-CE 3.36Å; N1788-K1792 PolarHBondContact OD1-NZ 3.5Å; N1789-K1792 PolarHBondContact O-N 3.42Å; I1790-K1792 VanDerWaalsContact C-N 3.35Å; I1790-K1792 PolarHBondContact O-N 3.31Å; K1792-H1796 PolarHBondContact O-N 3.35Å; K1792-Y1801 WeakPolarHBondContact CG-OH 3.42Å; K1792-Y1801 WeakPolarHBondContact O-CE1 3.34Å
1793I86.5Confident85.4Confident115 Ų11551.1 Ų51.159%0.5926%0.26SS*.Hα-helixtrans-69.8-46.7177.4-66.6165.2000110.7N1789 I1790 I1791 F1795 H1796N1789-I1793 WeakPolarHBondContact O-CG1 3.08Å; N1789-I1793 PolarHBondContact O-N 3.28Å; I1790-I1793 PolarHBondContact O-N 3.39Å; I1791-I1793 VanDerWaalsContact C-N 3.3Å; I1791-I1793 PolarHBondContact O-N 2.87Å; I1793-F1795 VanDerWaalsContact C-N 3.28Å; I1793-F1795 PolarHBondContact O-N 2.97Å; I1793-H1796 WeakPolarHBondContact O-CB 3.04Å; I1793-H1796 PolarHBondContact O-N 2.81Å; I1793-H1796 VanDerWaalsContact O-N 3.17Å
1794I88.4Confident85.9Confident94 Ų9447.3 Ų47.348%0.48224%0.237SC..Hα-helixtrans-59.6-40178.4-67.4168.6000111I1790 I1791 H1796I1790-I1794 HydrophobicContact CG2-CD1 3.83Å; I1790-I1794 WeakPolarHBondContact O-CG1 3.44Å; I1790-I1794 PolarHBondContact O-N 3.45Å; I1791-I1794 PolarHBondContact O-N 3.01Å; I1794-H1796 VanDerWaalsContact C-N 3.3Å; I1794-H1796 PolarHBondContact O-N 3.02Å
1795F89.2Confident86.4Confident43 Ų4346.9 Ų46.919%0.18923%0.234CC..G310 helixtrans-74.4-11.6-179.6-68.1-14.4000114.7T1767 C1770 T1771 I1791 I1793 I1797 F1798 Y1801T1767-F1795 HydrophobicContact CG2-CB 4.47Å; T1767-F1795 HydrophobicContact CG2-CD1 3.89Å; T1767-F1795 HydrophobicContact CG2-CD2 3.74Å; T1767-F1795 HydrophobicContact CG2-CE1 3.95Å; T1767-F1795 HydrophobicContact CG2-CE2 3.79Å; T1767-F1795 HydrophobicContact CG2-CG 3.79Å; T1767-F1795 HydrophobicContact CG2-CZ 3.9Å; C1770-F1795 HydrophobicContact CB-CE2 4.42Å; T1771-F1795 HydrophobicContact CG2-CD2 3.94Å; T1771-F1795 HydrophobicContact CG2-CE2 4.21Å; I1791-F1795 HydrophobicContact CG2-CD2 3.63Å; I1791-F1795 HydrophobicContact CG2-CE1 4.3Å; I1791-F1795 HydrophobicContact CG2-CE2 3.28Å; I1791-F1795 HydrophobicContact CG2-CG 4.29Å; I1791-F1795 HydrophobicContact CG2-CZ 3.66Å; I1791-F1795 WeakPolarHBondContact O-CB 3.46Å; I1791-F1795 WeakPolarHBondContact O-CG 3.26Å; I1791-F1795 PolarHBondContact O-N 3.17Å; I1793-F1795 VanDerWaalsContact C-N 3.28Å; I1793-F1795 PolarHBondContact O-N 2.97Å; F1795-I1797 PolarHBondContact O-N 3.2Å; F1795-F1798 PolarHBondContact O-N 3.06Å; F1795-F1798 VanDerWaalsContact O-N 3.12Å; F1795-Y1801 VanDerWaalsContact C-CD1 3.42Å; F1795-Y1801 HydrophobicContact CB-CD1 3.57Å; F1795-Y1801 HydrophobicContact CB-CD2 4.04Å; F1795-Y1801 HydrophobicContact CB-CE1 3.76Å; F1795-Y1801 HydrophobicContact CB-CE2 4.23Å; F1795-Y1801 HydrophobicContact CB-CG 3.71Å; F1795-Y1801 HydrophobicContact CD2-CD2 4.32Å; F1795-Y1801 HydrophobicContact CD2-CE2 4.26Å; F1795-Y1801 WeakPolarHBondContact O-CD1 3.34Å
1796H88.8Confident87Confident31 Ų3143.8 Ų43.814%0.14422%0.218CC..G310 helixtrans-57.6-35.2175.5-75.7159.7000112.6K1792 I1793 I1794 F1798 Y1801 C1802K1792-H1796 PolarHBondContact O-N 3.35Å; I1793-H1796 WeakPolarHBondContact O-CB 3.04Å; I1793-H1796 PolarHBondContact O-N 2.81Å; I1793-H1796 VanDerWaalsContact O-N 3.17Å; I1794-H1796 VanDerWaalsContact C-N 3.3Å; I1794-H1796 PolarHBondContact O-N 3.02Å; H1796-F1798 CarbonylContact O-C 3.6Å; H1796-F1798 PolarHBondContact O-N 2.83Å; H1796-Y1801 AromaticContact CD2-CE1 3.65Å; H1796-C1802 PolarHBondContact O-SG 3.22Å; H1796-C1802 VanDerWaalsContact O-SG 3.37Å
1797I88Confident87.3Confident104 Ų10438.3 Ų38.353%0.53319%0.191SC..G310 helixtrans-50.3-18.6175.7-69.1172.1000113.8F1795 P1799F1795-I1797 PolarHBondContact O-N 3.2Å; I1797-P1799 WeakPolarHBondContact O-CD 3.11Å
1798F88.6Confident87.5Confident64 Ų6435 Ų3528%0.28117%0.173SC..SBendtrans-103.3107.3173.9-55.4-66.6000110.7I1763 F1795 H1796 Q1800 Y1801 C1802I1763-F1798 HydrophobicContact CD1-CD1 4.39Å; I1763-F1798 HydrophobicContact CD1-CE1 4.31Å; I1763-F1798 HydrophobicContact CG2-CB 3.76Å; I1763-F1798 HydrophobicContact CG2-CD1 3.85Å; I1763-F1798 HydrophobicContact CG2-CD2 4.01Å; I1763-F1798 HydrophobicContact CG2-CE1 4.46Å; I1763-F1798 HydrophobicContact CG2-CG 3.59Å; F1795-F1798 PolarHBondContact O-N 3.06Å; F1795-F1798 VanDerWaalsContact O-N 3.12Å; H1796-F1798 CarbonylContact O-C 3.6Å; H1796-F1798 PolarHBondContact O-N 2.83Å; F1798-Q1800 PolarHBondContact O-N 2.99Å; F1798-Y1801 WeakPolarHBondContact O-CB 3.35Å; F1798-Y1801 PolarHBondContact O-N 2.95Å; F1798-C1802 PolarHBondContact O-N 3.47Å
1799P90.2Very high87.6Confident0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-49.6-30.3176.4-30.432.7000114.4Y1731 A1734 I1735 M1738 I1797 C1802 L1803 L1853 E1856Y1731-P1799 HydrophobicContact CD2-CB 3.81Å; Y1731-P1799 VanDerWaalsContact CD2-O 3.29Å; Y1731-P1799 WeakPolarHBondContact CD2-O 3.23Å; Y1731-P1799 HydrophobicContact CE2-CB 3.86Å; A1734-P1799 HydrophobicContact CB-CB 4.14Å; A1734-P1799 HydrophobicContact CB-CG 3.91Å; I1735-P1799 HydrophobicContact CB-CB 4.45Å; I1735-P1799 HydrophobicContact CD1-CB 4.39Å; I1735-P1799 HydrophobicContact CD1-CG 4.48Å; M1738-P1799 HydrophobicContact SD-CG 4.27Å; I1797-P1799 WeakPolarHBondContact O-CD 3.11Å; P1799-C1802 PolarHBondContact O-N 2.88Å; P1799-L1803 PolarHBondContact O-N 2.9Å; P1799-L1853 HydrophobicContact CB-CD2 3.69Å; P1799-L1853 HydrophobicContact CG-CD2 4.28Å; P1799-E1856 WeakPolarHBondContact CG-OE2 3.4Å
1800Q89.7Confident87.7Confident0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-66.1-37.2-179.9-60134.213.800112.8L1648 Y1731 I1735 N1760 I1763 F1798 S1804L1648-Q1800 HydrophobicContact CD1-CB 3.89Å; L1648-Q1800 HydrophobicContact CD1-CG 4.32Å; Y1731-Q1800 HydrophobicContact CE2-CG 4.16Å; I1735-Q1800 HydrophobicContact CD1-CG 4.27Å; I1735-Q1800 VanDerWaalsContact CD1-NE2 3.34Å; N1760-Q1800 HydrophobicContact CB-CG 4.23Å; N1760-Q1800 VanDerWaalsContact CG-NE2 3.34Å; N1760-Q1800 WeakPolarHBondContact O-CG 3.32Å; N1760-Q1800 PolarHBondContact O-OE1 3.37Å; N1760-Q1800 PolarHBondContact OD1-NE2 2.9Å; I1763-Q1800 VanDerWaalsContact CG2-OE1 3.27Å; F1798-Q1800 PolarHBondContact O-N 2.99Å; Q1800-S1804 PolarHBondContact O-N 3.45Å; Q1800-S1804 VanDerWaalsContact O-N 3.12Å; Q1800-S1804 PolarHBondContact O-OG 2.73Å; Q1800-S1804 VanDerWaalsContact O-OG 3.13Å
1801Y89.5Confident87.6Confident3 Ų327.6 Ų27.61%0.01214%0.135CC..Hα-helixtrans-67.2-48.6171.7168.2-106000110T1767 T1771 K1792 F1795 H1796 F1798 L1803 S1804 R1805T1767-Y1801 WeakPolarHBondContact OG1-CB 3.48Å; T1771-Y1801 HydrophobicContact CG2-CE2 3.81Å; K1792-Y1801 WeakPolarHBondContact CG-OH 3.42Å; K1792-Y1801 WeakPolarHBondContact O-CE1 3.34Å; F1795-Y1801 VanDerWaalsContact C-CD1 3.42Å; F1795-Y1801 HydrophobicContact CB-CD1 3.57Å; F1795-Y1801 HydrophobicContact CB-CD2 4.04Å; F1795-Y1801 HydrophobicContact CB-CE1 3.76Å; F1795-Y1801 HydrophobicContact CB-CE2 4.23Å; F1795-Y1801 HydrophobicContact CB-CG 3.71Å; F1795-Y1801 HydrophobicContact CD2-CD2 4.32Å; F1795-Y1801 HydrophobicContact CD2-CE2 4.26Å; F1795-Y1801 WeakPolarHBondContact O-CD1 3.34Å; H1796-Y1801 AromaticContact CD2-CE1 3.65Å; F1798-Y1801 WeakPolarHBondContact O-CB 3.35Å; F1798-Y1801 PolarHBondContact O-N 2.95Å; Y1801-L1803 VanDerWaalsContact C-N 3.29Å; Y1801-L1803 PolarHBondContact O-N 2.97Å; Y1801-S1804 PolarHBondContact O-N 3.24Å; Y1801-R1805 HydrophobicContact CD2-CB 3.98Å; Y1801-R1805 HydrophobicContact CE2-CB 3.69Å; Y1801-R1805 HydrophobicContact CE2-CG 3.76Å; Y1801-R1805 WeakPolarHBondContact O-CB 3.42Å; Y1801-R1805 PolarHBondContact O-N 3.07Å
1802C89.3Confident87.4Confident0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-54.9-42178.3-72.40000112.5H1796 F1798 P1799 G1806 K1849 L1853H1796-C1802 PolarHBondContact O-SG 3.22Å; H1796-C1802 VanDerWaalsContact O-SG 3.37Å; F1798-C1802 PolarHBondContact O-N 3.47Å; P1799-C1802 PolarHBondContact O-N 2.88Å; C1802-G1806 VanDerWaalsContact O-CA 3.32Å; C1802-G1806 WeakPolarHBondContact O-CA 3.41Å; C1802-G1806 PolarHBondContact O-N 2.84Å; C1802-K1849 HydrophobicContact CB-CB 4.23Å; C1802-K1849 HydrophobicContact CB-CG 4.48Å; C1802-L1853 HydrophobicContact CB-CD1 4.49Å; C1802-L1853 HydrophobicContact CB-CD2 4.14Å; C1802-L1853 HydrophobicContact CB-CG 4.37Å
1803L90.2Very high87.2Confident0 Ų027.2 Ų27.20%013%0.131CC..Hα-helixtrans-64.6-62172.9178.370.1000112.5L1648 L1651 L1727 I1728 Y1731 P1799 Y1801 R1805 G1806 L1807L1648-L1803 HydrophobicContact CD1-CD2 4.19Å; L1651-L1803 HydrophobicContact CB-CD2 4.28Å; L1651-L1803 HydrophobicContact CD1-CD1 4.33Å; L1651-L1803 HydrophobicContact CD1-CD2 4Å; L1727-L1803 HydrophobicContact CD2-CD1 4.45Å; L1727-L1803 HydrophobicContact CG-CD1 4.3Å; I1728-L1803 HydrophobicContact CG1-CD1 4.3Å; Y1731-L1803 HydrophobicContact CD1-CD2 3.76Å; Y1731-L1803 HydrophobicContact CD2-CB 3.8Å; Y1731-L1803 HydrophobicContact CD2-CD2 4.18Å; Y1731-L1803 HydrophobicContact CD2-CG 4.5Å; Y1731-L1803 HydrophobicContact CE1-CD2 3.81Å; Y1731-L1803 HydrophobicContact CE2-CB 4.22Å; Y1731-L1803 HydrophobicContact CE2-CD2 4.22Å; Y1731-L1803 HydrophobicContact CG-CB 4.06Å; Y1731-L1803 HydrophobicContact CG-CD1 4.37Å; Y1731-L1803 HydrophobicContact CG-CD2 3.94Å; Y1731-L1803 HydrophobicContact CG-CG 4.34Å; P1799-L1803 PolarHBondContact O-N 2.9Å; Y1801-L1803 VanDerWaalsContact C-N 3.29Å; Y1801-L1803 PolarHBondContact O-N 2.97Å; L1803-R1805 PolarHBondContact O-N 3.25Å; L1803-G1806 PolarHBondContact O-N 3.09Å; L1803-L1807 HydrophobicContact CD1-CD1 3.96Å; L1803-L1807 HydrophobicContact CD1-CG 4.34Å; L1803-L1807 HydrophobicContact CG-CD1 4.22Å; L1803-L1807 WeakPolarHBondContact O-CG 3.27Å; L1803-L1807 PolarHBondContact O-N 3.45Å
1804S87.9Confident86.9Confident0 Ų022.7 Ų22.70%011%0.106CC..Hα-helixtrans-65.2-41.2-170.263.70000112.4G1764 C1768 Q1800 Y1801 F1808G1764-S1804 PolarHBondContact O-OG 2.68Å; G1764-S1804 VanDerWaalsContact O-OG 3.14Å; C1768-S1804 WeakPolarHBondContact CB-OG 3.36Å; Q1800-S1804 PolarHBondContact O-N 3.45Å; Q1800-S1804 VanDerWaalsContact O-N 3.12Å; Q1800-S1804 PolarHBondContact O-OG 2.73Å; Q1800-S1804 VanDerWaalsContact O-OG 3.13Å; Y1801-S1804 PolarHBondContact O-N 3.24Å; S1804-F1808 PolarHBondContact O-N 2.9Å
1805R86.7Confident86.3Confident6 Ų619.1 Ų19.12%0.0239%0.087CC..Hα-helixtrans-72.2-39.2175.9-17466.9-148.4-143.94.8111.5T1771 D1775 Y1801 L1803 F1808 D1809T1771-R1805 PolarHBondContact O-NH1 2.97Å; T1771-R1805 PolarHBondContact OG1-NH1 3.44Å; D1775-R1805 IonicContact OD2-CZ 3.61Å; D1775-R1805 IonicContact OD2-NH1 2.64Å; D1775-R1805 PolarHBondContact OD2-NH1 3.05Å; D1775-R1805 IonicContact OD2-NH2 2.68Å; D1775-R1805 PolarHBondContact OD2-NH2 3.16Å; Y1801-R1805 HydrophobicContact CD2-CB 3.98Å; Y1801-R1805 HydrophobicContact CE2-CB 3.69Å; Y1801-R1805 HydrophobicContact CE2-CG 3.76Å; Y1801-R1805 WeakPolarHBondContact O-CB 3.42Å; Y1801-R1805 PolarHBondContact O-N 3.07Å; L1803-R1805 PolarHBondContact O-N 3.25Å; R1805-F1808 PolarHBondContact O-N 2.93Å; R1805-D1809 WeakPolarHBondContact CG-OD2 3.3Å; R1805-D1809 IonicContact CZ-OD1 3.26Å; R1805-D1809 IonicContact CZ-OD2 2.86Å; R1805-D1809 IonicContact NE-OD1 2.79Å; R1805-D1809 PolarHBondContact NE-OD1 2.79Å; R1805-D1809 VanDerWaalsContact NE-OD1 3.13Å; R1805-D1809 IonicContact NE-OD2 3.25Å; R1805-D1809 PolarHBondContact NE-OD2 3.31Å; R1805-D1809 IonicContact NH2-OD1 2.84Å; R1805-D1809 PolarHBondContact NH2-OD1 3.43Å; R1805-D1809 IonicContact NH2-OD2 3.31Å; R1805-D1809 WeakPolarHBondContact O-CB 3.4Å; R1805-D1809 PolarHBondContact O-N 3.26Å
1806G88.7Confident85.4Confident0 Ų019.5 Ų19.50%09%0.09CC..Hα-helixtrans-59.7-45.2175.300000112.8C1802 L1803 F1808 D1809 L1810 L1846C1802-G1806 VanDerWaalsContact O-CA 3.32Å; C1802-G1806 WeakPolarHBondContact O-CA 3.41Å; C1802-G1806 PolarHBondContact O-N 2.84Å; L1803-G1806 PolarHBondContact O-N 3.09Å; G1806-F1808 PolarHBondContact O-N 3.38Å; G1806-D1809 PolarHBondContact O-N 3.26Å; G1806-L1810 WeakPolarHBondContact O-CG 3.14Å; G1806-L1810 PolarHBondContact O-N 2.9Å; G1806-L1846 VanDerWaalsContact CA-CD1 3.44Å
1807L88.6Confident84.6Confident1 Ų119.3 Ų19.31%0.0059%0.09CC..Hα-helixtrans-63.1-40.2175.2-70.1175.5000112.6T1647 Y1715 F1724 L1727 L1803 A1811T1647-L1807 HydrophobicContact CG2-CD1 4.29Å; T1647-L1807 WeakPolarHBondContact OG1-CD1 3.33Å; Y1715-L1807 HydrophobicContact CD1-CD2 4.14Å; Y1715-L1807 HydrophobicContact CE1-CB 4.19Å; Y1715-L1807 HydrophobicContact CE1-CD2 4.08Å; Y1715-L1807 WeakPolarHBondContact CE1-O 3.23Å; F1724-L1807 HydrophobicContact CD2-CD2 3.47Å; F1724-L1807 VanDerWaalsContact CD2-CD2 3.47Å; F1724-L1807 HydrophobicContact CE2-CD2 3.56Å; L1727-L1807 HydrophobicContact CD2-CD2 4.02Å; L1727-L1807 HydrophobicContact CD2-CG 3.98Å; L1803-L1807 HydrophobicContact CD1-CD1 3.96Å; L1803-L1807 HydrophobicContact CD1-CG 4.34Å; L1803-L1807 HydrophobicContact CG-CD1 4.22Å; L1803-L1807 WeakPolarHBondContact O-CG 3.27Å; L1803-L1807 PolarHBondContact O-N 3.45Å; L1807-A1811 PolarHBondContact O-N 3.26Å
1808F85.4Confident83.6Confident14 Ų1417.6 Ų17.66%0.0618%0.079CC..Hα-helixtrans-65.8-43.2174.6178.1-93.2000112.3L1637 L1641 L1772 S1804 R1805 G1806 L1810 A1811 K1812L1637-F1808 HydrophobicContact CD2-CE1 4.25Å; L1637-F1808 HydrophobicContact CD2-CE2 3.66Å; L1637-F1808 HydrophobicContact CD2-CZ 3.46Å; L1637-F1808 VanDerWaalsContact CD2-CZ 3.46Å; L1641-F1808 HydrophobicContact CB-CD2 3.88Å; L1641-F1808 HydrophobicContact CB-CE2 3.9Å; L1641-F1808 HydrophobicContact CD1-CE2 4.17Å; L1772-F1808 HydrophobicContact CD2-CD1 3.48Å; L1772-F1808 VanDerWaalsContact CD2-CD1 3.48Å; L1772-F1808 HydrophobicContact CD2-CD2 4Å; L1772-F1808 HydrophobicContact CD2-CE1 3.18Å; L1772-F1808 HydrophobicContact CD2-CE2 3.75Å; L1772-F1808 HydrophobicContact CD2-CG 3.86Å; L1772-F1808 HydrophobicContact CD2-CZ 3.32Å; S1804-F1808 PolarHBondContact O-N 2.9Å; R1805-F1808 PolarHBondContact O-N 2.93Å; G1806-F1808 PolarHBondContact O-N 3.38Å; F1808-L1810 VanDerWaalsContact C-N 3.34Å; F1808-L1810 PolarHBondContact O-N 2.76Å; F1808-A1811 PolarHBondContact O-N 2.99Å; F1808-K1812 HydrophobicContact CE1-CB 4.45Å; F1808-K1812 HydrophobicContact CE1-CD 3.81Å; F1808-K1812 HydrophobicContact CZ-CD 4.45Å; F1808-K1812 WeakPolarHBondContact O-CB 3.35Å; F1808-K1812 PolarHBondContact O-N 3.3Å
1809D85Confident82.4Confident21 Ų2118.1 Ų18.111%0.1128%0.081CC..Hα-helixtrans-68-32.1-180-71.2-36.5000112.4R1805 G1806 R1813 I1845 K1849R1805-D1809 WeakPolarHBondContact CG-OD2 3.3Å; R1805-D1809 IonicContact CZ-OD1 3.26Å; R1805-D1809 IonicContact CZ-OD2 2.86Å; R1805-D1809 IonicContact NE-OD1 2.79Å; R1805-D1809 PolarHBondContact NE-OD1 2.79Å; R1805-D1809 VanDerWaalsContact NE-OD1 3.13Å; R1805-D1809 IonicContact NE-OD2 3.25Å; R1805-D1809 PolarHBondContact NE-OD2 3.31Å; R1805-D1809 IonicContact NH2-OD1 2.84Å; R1805-D1809 PolarHBondContact NH2-OD1 3.43Å; R1805-D1809 IonicContact NH2-OD2 3.31Å; R1805-D1809 WeakPolarHBondContact O-CB 3.4Å; R1805-D1809 PolarHBondContact O-N 3.26Å; G1806-D1809 PolarHBondContact O-N 3.26Å; D1809-R1813 WeakPolarHBondContact O-CB 3.35Å; D1809-R1813 PolarHBondContact O-N 3.42Å; D1809-I1845 HydrophobicContact CB-CG2 4.27Å; D1809-K1849 IonicContact OD2-NZ 3.43Å; D1809-K1849 PolarHBondContact OD2-NZ 3.16Å
1810L86.2Confident81Confident0 Ų019.2 Ų19.20%09%0.087CC..Hα-helixtrans-63.9-45.5169.5-74178.8000112.1V1720 F1724 G1806 F1808 R1813 Y1814 P1840 L1846V1720-L1810 HydrophobicContact CG1-CB 4.24Å; V1720-L1810 HydrophobicContact CG1-CD1 4.21Å; V1720-L1810 HydrophobicContact CG1-CD2 4.01Å; V1720-L1810 HydrophobicContact CG1-CG 4.38Å; F1724-L1810 HydrophobicContact CB-CD1 4.27Å; G1806-L1810 WeakPolarHBondContact O-CG 3.14Å; G1806-L1810 PolarHBondContact O-N 2.9Å; F1808-L1810 VanDerWaalsContact C-N 3.34Å; F1808-L1810 PolarHBondContact O-N 2.76Å; L1810-R1813 PolarHBondContact O-N 3.24Å; L1810-Y1814 PolarHBondContact O-N 2.85Å; L1810-P1840 HydrophobicContact CD2-CB 3.99Å; L1810-L1846 HydrophobicContact CD1-CD2 4.15Å; L1810-L1846 HydrophobicContact CD2-CD2 4.23Å; L1810-L1846 HydrophobicContact CG-CD1 4.28Å; L1810-L1846 HydrophobicContact CG-CD2 4.32Å
1811A84.1Confident79.6Confident0 Ų025.4 Ų25.40%012%0.116CC..Hα-helixtrans-63.1-44.5175.300000111.5D1640 A1714 Y1715 L1807 F1808 R1813 Y1814 Y1815D1640-A1811 HydrophobicContact CB-CB 3.85Å; A1714-A1811 HydrophobicContact CB-CB 4.21Å; Y1715-A1811 HydrophobicContact CE1-CB 4.49Å; L1807-A1811 PolarHBondContact O-N 3.26Å; F1808-A1811 PolarHBondContact O-N 2.99Å; A1811-R1813 PolarHBondContact O-N 3.5Å; A1811-Y1814 PolarHBondContact O-N 3.04Å; A1811-Y1815 WeakPolarHBondContact O-CD2 3.49Å; A1811-Y1815 PolarHBondContact O-N 3.3Å
1812K80.3Confident77.7Confident55 Ų5528.9 Ų28.924%0.23913%0.131CC..Hα-helixtrans-56.9-46.9174.2-171.8167.2177.5173.80111.3L1637 D1775 F1808 Y1815 I1816L1637-K1812 HydrophobicContact CD2-CB 3.89Å; L1637-K1812 HydrophobicContact CD2-CD 4.42Å; L1637-K1812 HydrophobicContact CD2-CG 4.05Å; D1775-K1812 IonicContact OD2-NZ 3.58Å; D1775-K1812 PolarHBondContact OD2-NZ 3.21Å; F1808-K1812 HydrophobicContact CE1-CB 4.45Å; F1808-K1812 HydrophobicContact CE1-CD 3.81Å; F1808-K1812 HydrophobicContact CZ-CD 4.45Å; F1808-K1812 WeakPolarHBondContact O-CB 3.35Å; F1808-K1812 PolarHBondContact O-N 3.3Å; K1812-Y1815 PolarHBondContact O-N 2.99Å; K1812-I1816 HydrophobicContact CG-CD1 3.92Å; K1812-I1816 WeakPolarHBondContact O-CB 3.23Å; K1812-I1816 WeakPolarHBondContact O-CD1 3.49Å; K1812-I1816 VanDerWaalsContact O-CG1 3.25Å; K1812-I1816 WeakPolarHBondContact O-CG1 3.41Å; K1812-I1816 PolarHBondContact O-N 3.46Å
1813R80.6Confident75.9Confident21 Ų2130.5 Ų30.58%0.07914%0.137CC..Hα-helixtrans-58.6-48.4173.5178.4179.8175.9-96.8-3.2111.6D1719 D1809 L1810 A1811 Y1815 I1816 I1817 I1838 I1845D1719-R1813 PolarHBondContact O-NH1 2.89Å; D1809-R1813 WeakPolarHBondContact O-CB 3.35Å; D1809-R1813 PolarHBondContact O-N 3.42Å; L1810-R1813 PolarHBondContact O-N 3.24Å; A1811-R1813 PolarHBondContact O-N 3.5Å; R1813-Y1815 PolarHBondContact O-N 3.22Å; R1813-I1816 PolarHBondContact O-N 3.25Å; R1813-I1817 HydrophobicContact CG-CD1 3.67Å; R1813-I1817 HydrophobicContact CG-CG1 4.3Å; R1813-I1817 WeakPolarHBondContact O-CG1 3.43Å; R1813-I1817 PolarHBondContact O-N 2.9Å; R1813-I1838 VanDerWaalsContact CZ-O 3.26Å; R1813-I1838 PolarHBondContact NE-O 3.38Å; R1813-I1838 PolarHBondContact NH2-O 2.82Å; R1813-I1845 HydrophobicContact CB-CD1 4.4Å; R1813-I1845 HydrophobicContact CG-CD1 4.34Å
1814Y80.6Confident73.9Confident19 Ų1938.9 Ų38.98%0.07517%0.174CC..Hα-helixtrans-58.4-48.6179175.7-102.8000112L1713 A1714 H1717 L1810 A1811 I1816 I1817 K1818L1713-Y1814 HydrophobicContact CB-CE1 4.12Å; L1713-Y1814 WeakPolarHBondContact CB-OH 3.32Å; A1714-Y1814 HydrophobicContact CB-CD1 3.98Å; A1714-Y1814 HydrophobicContact CB-CG 4.43Å; H1717-Y1814 HydrophobicContact CB-CD2 4.07Å; H1717-Y1814 HydrophobicContact CB-CE2 3.99Å; H1717-Y1814 AromaticContact CD2-CE2 3.75Å; H1717-Y1814 AromaticContact CG-CE2 3.82Å; L1810-Y1814 PolarHBondContact O-N 2.85Å; A1811-Y1814 PolarHBondContact O-N 3.04Å; Y1814-I1816 VanDerWaalsContact C-N 3.34Å; Y1814-I1816 PolarHBondContact O-N 2.91Å; Y1814-I1817 PolarHBondContact O-N 3.13Å; Y1814-K1818 HydrophobicContact CD1-CD 4.48Å; Y1814-K1818 HydrophobicContact CE1-CD 3.65Å; Y1814-K1818 WeakPolarHBondContact O-CB 3.33Å; Y1814-K1818 PolarHBondContact O-N 2.9Å; Y1814-K1818 WeakPolarHBondContact OH-CE 3.37Å; Y1814-K1818 PolarHBondContact OH-NZ 2.94Å
1815Y74.8Confident72Confident19 Ų1941.8 Ų41.88%0.07519%0.189CC..Hα-helixtrans-67-32.3179.2-76.2-70.8000112.9E1636 A1714 A1811 K1812 R1813 F1819E1636-Y1815 HydrophobicContact CB-CD1 4.47Å; E1636-Y1815 HydrophobicContact CB-CE1 3.7Å; E1636-Y1815 HydrophobicContact CB-CE2 4.17Å; E1636-Y1815 HydrophobicContact CG-CE1 4.34Å; E1636-Y1815 WeakPolarHBondContact OE2-CE1 3.28Å; E1636-Y1815 PolarHBondContact OE2-OH 2.88Å; A1714-Y1815 HydrophobicContact CB-CE2 4.27Å; A1811-Y1815 WeakPolarHBondContact O-CD2 3.49Å; A1811-Y1815 PolarHBondContact O-N 3.3Å; K1812-Y1815 PolarHBondContact O-N 2.99Å; R1813-Y1815 PolarHBondContact O-N 3.22Å; Y1815-F1819 WeakPolarHBondContact O-CB 3.32Å; Y1815-F1819 PolarHBondContact O-N 2.88Å
1816I71.3Confident69.8Low51 Ų5144.4 Ų44.426%0.26220%0.203SC..Hα-helixtrans-71-46.7174-69.5166.9000111.8K1812 R1813 Y1814 K1818 F1819 I1820K1812-I1816 HydrophobicContact CG-CD1 3.92Å; K1812-I1816 WeakPolarHBondContact O-CB 3.23Å; K1812-I1816 WeakPolarHBondContact O-CD1 3.49Å; K1812-I1816 VanDerWaalsContact O-CG1 3.25Å; K1812-I1816 WeakPolarHBondContact O-CG1 3.41Å; K1812-I1816 PolarHBondContact O-N 3.46Å; R1813-I1816 PolarHBondContact O-N 3.25Å; Y1814-I1816 VanDerWaalsContact C-N 3.34Å; Y1814-I1816 PolarHBondContact O-N 2.91Å; I1816-K1818 PolarHBondContact O-N 3.18Å; I1816-F1819 WeakPolarHBondContact O-CB 3.42Å; I1816-F1819 PolarHBondContact O-N 3.45Å; I1816-F1819 VanDerWaalsContact O-N 3.13Å; I1816-I1820 HydrophobicContact CG2-CD1 3.86Å; I1816-I1820 WeakPolarHBondContact O-CG1 3.49Å; I1816-I1820 PolarHBondContact O-N 3.3Å
1817I70.5Confident67.7Low27 Ų2750.1 Ų50.114%0.13823%0.228CC..Hα-helixtrans-64-43.4177.4-68.1175.8000110.4R1813 Y1814 F1819 I1820 Q1821R1813-I1817 HydrophobicContact CG-CD1 3.67Å; R1813-I1817 HydrophobicContact CG-CG1 4.3Å; R1813-I1817 WeakPolarHBondContact O-CG1 3.43Å; R1813-I1817 PolarHBondContact O-N 2.9Å; Y1814-I1817 PolarHBondContact O-N 3.13Å; I1817-F1819 PolarHBondContact O-N 2.76Å; I1817-I1820 PolarHBondContact O-N 3.49Å; I1817-Q1821 HydrophobicContact CG2-CG 4.06Å; I1817-Q1821 WeakPolarHBondContact O-CB 3.17Å; I1817-Q1821 WeakPolarHBondContact O-CG 3.3Å; I1817-Q1821 PolarHBondContact O-N 2.89Å
1818K67.7Low65.6Low68 Ų6850.3 Ų50.330%0.29623%0.229SC..Hα-helixtrans-63.3-25.7174.5-172176.6-164.7164.80113Y1814 I1816 K1822Y1814-K1818 HydrophobicContact CD1-CD 4.48Å; Y1814-K1818 HydrophobicContact CE1-CD 3.65Å; Y1814-K1818 WeakPolarHBondContact O-CB 3.33Å; Y1814-K1818 PolarHBondContact O-N 2.9Å; Y1814-K1818 WeakPolarHBondContact OH-CE 3.37Å; Y1814-K1818 PolarHBondContact OH-NZ 2.94Å; I1816-K1818 PolarHBondContact O-N 3.18Å; K1818-K1822 WeakPolarHBondContact O-CB 3.37Å
1819F62.2Low63.6Low76 Ų7655 Ų5533%0.33325%0.254SS..Hα-helixtrans-72.2-57168.3178.5-89.8000109.8L1633 Y1815 I1816 I1817 Q1821 K1822 Y1823L1633-F1819 HydrophobicContact CD1-CB 4.41Å; L1633-F1819 HydrophobicContact CD1-CD2 4.41Å; Y1815-F1819 WeakPolarHBondContact O-CB 3.32Å; Y1815-F1819 PolarHBondContact O-N 2.88Å; I1816-F1819 WeakPolarHBondContact O-CB 3.42Å; I1816-F1819 PolarHBondContact O-N 3.45Å; I1816-F1819 VanDerWaalsContact O-N 3.13Å; I1817-F1819 PolarHBondContact O-N 2.76Å; F1819-Q1821 PolarHBondContact O-N 2.91Å; F1819-K1822 PolarHBondContact O-N 2.91Å; F1819-Y1823 HydrophobicContact CD1-CD2 4.4Å; F1819-Y1823 AromaticContact CD2-CD2 3.94Å; F1819-Y1823 HydrophobicContact CD2-CD2 3.94Å; F1819-Y1823 AromaticContact CD2-CE2 3.63Å; F1819-Y1823 HydrophobicContact CD2-CE2 3.63Å; F1819-Y1823 HydrophobicContact CE1-CD2 4.38Å; F1819-Y1823 AromaticContact CE2-CD2 3.93Å; F1819-Y1823 HydrophobicContact CE2-CD2 3.93Å; F1819-Y1823 AromaticContact CE2-CE2 3.41Å; F1819-Y1823 HydrophobicContact CE2-CE2 3.41Å; F1819-Y1823 VanDerWaalsContact CE2-CE2 3.41Å; F1819-Y1823 HydrophobicContact CG-CD2 4.18Å; F1819-Y1823 HydrophobicContact CG-CE2 4.33Å; F1819-Y1823 HydrophobicContact CZ-CD2 4.15Å; F1819-Y1823 AromaticContact CZ-CE2 3.95Å; F1819-Y1823 HydrophobicContact CZ-CE2 3.95Å; F1819-Y1823 WeakPolarHBondContact O-CD2 3.5Å; F1819-Y1823 PolarHBondContact O-N 3.4Å; F1819-Y1823 VanDerWaalsContact O-N 3.1Å
1820I61.1Low61.5Low23 Ų2360.3 Ų60.312%0.11828%0.276CS..Hα-helixtrans-62.4-48.7-172.7-58.3163000112.6I1816 I1817 K1822 Y1823 K1824 N1836I1816-I1820 HydrophobicContact CG2-CD1 3.86Å; I1816-I1820 WeakPolarHBondContact O-CG1 3.49Å; I1816-I1820 PolarHBondContact O-N 3.3Å; I1817-I1820 PolarHBondContact O-N 3.49Å; I1820-K1822 VanDerWaalsContact C-N 3.25Å; I1820-K1822 PolarHBondContact O-N 2.76Å; I1820-Y1823 PolarHBondContact O-N 3.17Å; I1820-K1824 PolarHBondContact O-N 3.43Å; I1820-N1836 VanDerWaalsContact CG2-OD1 3.27Å; I1820-N1836 WeakPolarHBondContact CG2-OD1 3.49Å
1821Q60.3Low59.1Low130 Ų13065.1 Ų65.161%0.60730%0.302SS*.Hα-helixtrans-55.3-42.8177.1-74.8-179.3-16.500111.9I1817 F1819 K1824I1817-Q1821 HydrophobicContact CG2-CG 4.06Å; I1817-Q1821 WeakPolarHBondContact O-CB 3.17Å; I1817-Q1821 WeakPolarHBondContact O-CG 3.3Å; I1817-Q1821 PolarHBondContact O-N 2.89Å; F1819-Q1821 PolarHBondContact O-N 2.91Å; Q1821-K1824 PolarHBondContact O-N 3.14Å
1822K50.9Low57Low76 Ų7671 Ų7133%0.3333%0.329SS..Hα-helixtrans-81.3-20.7-169-158.2178.5-159.3-1630113.6D1626 N1627 K1818 F1819 I1820D1626-K1822 PolarHBondContact O-NZ 2.91Å; N1627-K1822 VanDerWaalsContact CA-CE 3.48Å; N1627-K1822 HydrophobicContact CB-CD 4.48Å; N1627-K1822 HydrophobicContact CB-CG 4.05Å; N1627-K1822 WeakPolarHBondContact OD1-CE 3.49Å; K1818-K1822 WeakPolarHBondContact O-CB 3.37Å; F1819-K1822 PolarHBondContact O-N 2.91Å; I1820-K1822 VanDerWaalsContact C-N 3.25Å; I1820-K1822 PolarHBondContact O-N 2.76Å
1823Y50.3Low55.2Low34 Ų3475.5 Ų75.513%0.13336%0.356CS..Hα-helixtrans-83.8-11.3170.6-90-92000113.8Y446 H1628 S1630 F1819 I1820 I1825Y446-Y1823 VanDerWaalsContact OH-CE1 3.27Å; Y446-Y1823 WeakPolarHBondContact OH-CE1 3.38Å; Y446-Y1823 PolarHBondContact OH-OH 3.28Å; H1628-Y1823 AromaticContact CE1-CD1 3.69Å; H1628-Y1823 AromaticContact CE1-CE1 3.43Å; H1628-Y1823 VanDerWaalsContact CE1-CE1 3.43Å; H1628-Y1823 WeakPolarHBondContact CE1-CE1 3.15Å; H1628-Y1823 AromaticContact CE1-CZ 3.76Å; H1628-Y1823 AromaticContact ND1-CD1 3.98Å; H1628-Y1823 AromaticContact ND1-CE1 3.37Å; H1628-Y1823 WeakPolarHBondContact ND1-CE1 3.4Å; H1628-Y1823 AromaticContact ND1-CE2 3.68Å; H1628-Y1823 AromaticContact ND1-CZ 3.19Å; H1628-Y1823 PolarHBondContact ND1-OH 3.15Å; S1630-Y1823 PolarHBondContact OG-OH 3.16Å; F1819-Y1823 HydrophobicContact CD1-CD2 4.4Å; F1819-Y1823 AromaticContact CD2-CD2 3.94Å; F1819-Y1823 HydrophobicContact CD2-CD2 3.94Å; F1819-Y1823 AromaticContact CD2-CE2 3.63Å; F1819-Y1823 HydrophobicContact CD2-CE2 3.63Å; F1819-Y1823 HydrophobicContact CE1-CD2 4.38Å; F1819-Y1823 AromaticContact CE2-CD2 3.93Å; F1819-Y1823 HydrophobicContact CE2-CD2 3.93Å; F1819-Y1823 AromaticContact CE2-CE2 3.41Å; F1819-Y1823 HydrophobicContact CE2-CE2 3.41Å; F1819-Y1823 VanDerWaalsContact CE2-CE2 3.41Å; F1819-Y1823 HydrophobicContact CG-CD2 4.18Å; F1819-Y1823 HydrophobicContact CG-CE2 4.33Å; F1819-Y1823 HydrophobicContact CZ-CD2 4.15Å; F1819-Y1823 AromaticContact CZ-CE2 3.95Å; F1819-Y1823 HydrophobicContact CZ-CE2 3.95Å; F1819-Y1823 WeakPolarHBondContact O-CD2 3.5Å; F1819-Y1823 PolarHBondContact O-N 3.4Å; F1819-Y1823 VanDerWaalsContact O-N 3.1Å; I1820-Y1823 PolarHBondContact O-N 3.17Å; Y1823-I1825 HydrophobicContact CD1-CD1 4.5Å; Y1823-I1825 HydrophobicContact CG-CD1 4.31Å; Y1823-I1825 PolarHBondContact O-N 2.94Å; Y1823-I1825 VanDerWaalsContact O-N 3.07Å
1824K49.3Very low53.6Low176 Ų17679 Ų7977%0.76537%0.373SS*.THydrogen-bonded Turntrans48.230.5-170.7-82-166.2173.3-172.90113.3I1820 Q1821 N1826I1820-K1824 PolarHBondContact O-N 3.43Å; Q1821-K1824 PolarHBondContact O-N 3.14Å; K1824-N1826 PolarHBondContact O-N 3.05Å; K1824-N1826 VanDerWaalsContact O-N 3.08Å
1825I46.5Very low51.9Low60 Ų6084.6 Ų84.631%0.30840%0.395SS..  trans-64.2115.3169.8-71158.9000106.7Y1823 K1827 I1829Y1823-I1825 HydrophobicContact CD1-CD1 4.5Å; Y1823-I1825 HydrophobicContact CG-CD1 4.31Å; Y1823-I1825 PolarHBondContact O-N 2.94Å; Y1823-I1825 VanDerWaalsContact O-N 3.07Å; I1825-K1827 PolarHBondContact O-N 3.02Å; I1825-I1829 HydrophobicContact CG2-CB 4.43Å
1826N42.1Very low50.5Low61 Ų6186.3 Ų86.333%0.32641%0.405SS..  trans-51.9138.7178.7-77.2-62.1000110.6Y204 K1824 S1828 I1829Y204-N1826 HydrophobicContact CD1-CB 4.45Å; Y204-N1826 HydrophobicContact CG-CB 4.38Å; Y204-N1826 VanDerWaalsContact O-CG 3.26Å; Y204-N1826 PolarHBondContact O-ND2 3.03Å; K1824-N1826 PolarHBondContact O-N 3.05Å; K1824-N1826 VanDerWaalsContact O-N 3.08Å; N1826-S1828 PolarHBondContact O-N 3.46Å; N1826-I1829 PolarHBondContact O-N 2.99Å
1827K43.6Very low49.6Very low120 Ų12089.6 Ų89.652%0.52242%0.423SS..THydrogen-bonded Turntrans-54.1-11.3171.3-68.4-165.9175.8-165.50113.2Y204 I1825 N1836 N1837Y204-K1827 VanDerWaalsContact CE1-C 3.43Å; I1825-K1827 PolarHBondContact O-N 3.02Å; K1827-N1836 HydrophobicContact CD-CB 4.41Å; K1827-N1836 HydrophobicContact CG-CB 4.45Å; K1827-N1837 PolarHBondContact NZ-OD1 2.87Å
1828S44Very low49.1Very low5 Ų589.1 Ų89.14%0.03542%0.421CS..THydrogen-bonded Turntrans-56.6-53.7177.3-84.30000101.2R200 Y204 N1826R200-S1828 WeakPolarHBondContact O-CB 3.45Å; Y204-S1828 WeakPolarHBondContact CD1-OG 3.43Å; Y204-S1828 WeakPolarHBondContact CD2-O 3.43Å; Y204-S1828 WeakPolarHBondContact CD2-OG 3.49Å; Y204-S1828 WeakPolarHBondContact CE1-OG 3.47Å; Y204-S1828 WeakPolarHBondContact CE2-O 3.2Å; Y204-S1828 WeakPolarHBondContact CE2-OG 3.43Å; Y204-S1828 PolarHBondContact OH-OG 2.8Å; N1826-S1828 PolarHBondContact O-N 3.46Å
1829I44.2Very low49.3Very low113 Ų11391.2 Ų91.258%0.57944%0.436SS*.SBendtrans-81.3-36.2-150.1-63.2175.3000114.4I1825 N1826 N1831I1825-I1829 HydrophobicContact CG2-CB 4.43Å; N1826-I1829 PolarHBondContact O-N 2.99Å; I1829-N1831 PolarHBondContact O-N 3.22Å; I1829-N1831 VanDerWaalsContact O-N 3.16Å
1830F41.6Very low50Low132 Ų13288 Ų8858%0.57942%0.422SS*.SBendtrans-80.795.8169.2-91.7-83.4000109.3H1832F1830-H1832 PolarHBondContact O-N 2.9Å
1831N36Very low51.2Low101 Ų10190.9 Ų90.954%0.5443%0.434SS..  trans-75.844.6178.5-160.768.2000112.8I1829I1829-N1831 PolarHBondContact O-N 3.22Å; I1829-N1831 VanDerWaalsContact O-N 3.16Å
1832H38.8Very low52.3Low125 Ų12587.1 Ų87.158%0.57942%0.418SS*.  trans-130.9114162.9-91.9-49000107.6F1830 H1834F1830-H1832 PolarHBondContact O-N 2.9Å; H1832-H1834 AromaticContact ND1-CD2 3.89Å; H1832-H1834 PolarHBondContact O-N 3.36Å
1833N41.9Very low53.8Low148 Ų14890.8 Ų90.879%0.79143%0.43SS*.SBendtrans-66.910175.7-73-14.8000114.2
1834H48Very low55Low94 Ų9495 Ų9544%0.43546%0.455SS..SBendtrans-71.3-99171.4-63.8-64.5000110.1H1832 N1836 N1837 I1838H1832-H1834 AromaticContact ND1-CD2 3.89Å; H1832-H1834 PolarHBondContact O-N 3.36Å; H1834-N1836 PolarHBondContact O-N 2.99Å; H1834-N1837 PolarHBondContact O-N 2.86Å; H1834-I1838 VanDerWaalsContact C-CG1 3.42Å; H1834-I1838 HydrophobicContact CB-CD1 4.04Å; H1834-I1838 HydrophobicContact CB-CG1 4.4Å; H1834-I1838 WeakPolarHBondContact O-CG1 3.06Å
1835Y45.1Very low56.4Low138 Ų13887.8 Ų87.854%0.54142%0.424SS..THydrogen-bonded Turntrans-48.8-21.1-153.7-67.6-73.8000120.1I1838Y1835-I1838 HydrophobicContact CD1-CD1 3.62Å; Y1835-I1838 HydrophobicContact CE1-CD1 3.99Å; Y1835-I1838 HydrophobicContact CG-CD1 4.12Å
1836N44.8Very low58.1Low54 Ų5484.9 Ų84.929%0.28941%0.409SS..THydrogen-bonded Turntrans-92.3-10.8-179-82.3-34.1000116I1820 K1827 H1834I1820-N1836 VanDerWaalsContact CG2-OD1 3.27Å; I1820-N1836 WeakPolarHBondContact CG2-OD1 3.49Å; K1827-N1836 HydrophobicContact CD-CB 4.41Å; K1827-N1836 HydrophobicContact CG-CB 4.45Å; H1834-N1836 PolarHBondContact O-N 2.99Å
1837N52.6Low60.3Low121 Ų12182.2 Ų82.265%0.64740%0.396SS*.SBendtrans-125.416.3172.4-82.636.1000111.2K1827 H1834 D1839K1827-N1837 PolarHBondContact NZ-OD1 2.87Å; H1834-N1837 PolarHBondContact O-N 2.86Å; N1837-D1839 PolarHBondContact O-N 2.96Å
1838I59.2Low62.4Low16 Ų1677.4 Ų77.48%0.08238%0.378CS..  trans-74.298.6175.4-57.6-175.6000109.6R1813 H1834 Y1835 D1842 I1845R1813-I1838 VanDerWaalsContact CZ-O 3.26Å; R1813-I1838 PolarHBondContact NE-O 3.38Å; R1813-I1838 PolarHBondContact NH2-O 2.82Å; H1834-I1838 VanDerWaalsContact C-CG1 3.42Å; H1834-I1838 HydrophobicContact CB-CD1 4.04Å; H1834-I1838 HydrophobicContact CB-CG1 4.4Å; H1834-I1838 WeakPolarHBondContact O-CG1 3.06Å; Y1835-I1838 HydrophobicContact CD1-CD1 3.62Å; Y1835-I1838 HydrophobicContact CE1-CD1 3.99Å; Y1835-I1838 HydrophobicContact CG-CD1 4.12Å; I1838-D1842 HydrophobicContact CG2-CB 3.46Å; I1838-D1842 VanDerWaalsContact CG2-CB 3.46Å; I1838-I1845 HydrophobicContact CB-CD1 4.43Å; I1838-I1845 HydrophobicContact CD1-CD1 4.27Å; I1838-I1845 HydrophobicContact CG2-CD1 3.5Å; I1838-I1845 HydrophobicContact CG2-CG1 4.06Å
1839D72.8Confident64.6Low113 Ų11377.6 Ų77.660%0.60438%0.378SS*.  trans-56.5147.9160-75.6-38.7000110.3N1837 F1841 D1842N1837-D1839 PolarHBondContact O-N 2.96Å; D1839-F1841 PolarHBondContact O-N 3.34Å; D1839-D1842 WeakPolarHBondContact O-CB 3.46Å; D1839-D1842 PolarHBondContact O-N 3.08Å
1840P77.6Confident66.8Low7 Ų772.9 Ų72.95%0.04535%0.354CS..THydrogen-bonded Turntrans-62.3-20.3-177.426.4-31.8000112.6S1723 L1810 D1842 L1846S1723-P1840 WeakPolarHBondContact OG-CB 3.41Å; S1723-P1840 WeakPolarHBondContact OG-CG 3.33Å; L1810-P1840 HydrophobicContact CD2-CB 3.99Å; P1840-D1842 VanDerWaalsContact C-N 3.31Å; P1840-L1846 WeakPolarHBondContact O-CB 3.2Å
1841F85.8Confident69.1Low84 Ų8470.6 Ų70.637%0.36835%0.347SS..THydrogen-bonded Turntrans-79.5-3176.6-59.7-77000114.5L1722 S1723 L1726 D1839 G1847 L1850L1722-F1841 HydrophobicContact CD2-CE2 4.3Å; L1722-F1841 HydrophobicContact CD2-CZ 4.03Å; L1722-F1841 HydrophobicContact CG-CZ 4.09Å; S1723-F1841 WeakPolarHBondContact OG-CE1 3.43Å; S1723-F1841 VanDerWaalsContact OG-CE2 3.26Å; S1723-F1841 WeakPolarHBondContact OG-CE2 3.34Å; S1723-F1841 WeakPolarHBondContact OG-CZ 3.15Å; L1726-F1841 HydrophobicContact CD1-CE1 3.92Å; L1726-F1841 HydrophobicContact CD1-CZ 4.33Å; D1839-F1841 PolarHBondContact O-N 3.34Å; F1841-G1847 WeakPolarHBondContact O-CA 3.01Å; F1841-G1847 PolarHBondContact O-N 3.47Å; F1841-L1850 HydrophobicContact CD1-CD1 3.49Å; F1841-L1850 VanDerWaalsContact CD1-CD1 3.49Å; F1841-L1850 HydrophobicContact CE1-CD1 3.73Å
1842D82.5Confident71.7Confident52 Ų5266.6 Ų66.628%0.27833%0.328SS..SBendtrans-59.3146.3177-178.433.5000112.2I1838 D1839 P1840 N1844 I1845 L1846 G1847I1838-D1842 HydrophobicContact CG2-CB 3.46Å; I1838-D1842 VanDerWaalsContact CG2-CB 3.46Å; D1839-D1842 WeakPolarHBondContact O-CB 3.46Å; D1839-D1842 PolarHBondContact O-N 3.08Å; P1840-D1842 VanDerWaalsContact C-N 3.31Å; D1842-N1844 VanDerWaalsContact C-N 3.26Å; D1842-N1844 PolarHBondContact O-N 3.12Å; D1842-I1845 PolarHBondContact O-N 3.2Å; D1842-I1845 VanDerWaalsContact O-N 3.08Å; D1842-L1846 PolarHBondContact O-N 2.98Å; D1842-L1846 VanDerWaalsContact O-N 3.11Å; D1842-G1847 PolarHBondContact O-N 3.5Å
1843W82.8Confident74.3Confident153 Ų15360.6 Ų60.658%0.5830%0.3SS*.Iπ-helixtrans-56-40.4-168.4-169.1-95.6000112.8S1848 I1851W1843-S1848 VanDerWaalsContact O-CB 3.32Å; W1843-S1848 WeakPolarHBondContact O-CB 3.27Å; W1843-S1848 PolarHBondContact O-N 2.82Å; W1843-S1848 PolarHBondContact O-OG 2.82Å; W1843-I1851 HydrophobicContact CE3-CD1 4.25Å; W1843-I1851 HydrophobicContact CH2-CD1 4.5Å; W1843-I1851 HydrophobicContact CZ3-CD1 3.62Å
1844N74.9Confident76.7Confident123 Ų12356 Ų5666%0.65828%0.278SS*.Iπ-helixtrans-80.2-14-175.6-67.6-28.1000114.3D1842D1842-N1844 VanDerWaalsContact C-N 3.26Å; D1842-N1844 PolarHBondContact O-N 3.12Å
1845I78.7Confident78.8Confident23 Ų2355.9 Ų55.912%0.11828%0.28CS..Iπ-helixtrans-104.6-65.1179.2-60.8-164.2000110.9D1809 R1813 I1838 D1842 K1849D1809-I1845 HydrophobicContact CB-CG2 4.27Å; R1813-I1845 HydrophobicContact CB-CD1 4.4Å; R1813-I1845 HydrophobicContact CG-CD1 4.34Å; I1838-I1845 HydrophobicContact CB-CD1 4.43Å; I1838-I1845 HydrophobicContact CD1-CD1 4.27Å; I1838-I1845 HydrophobicContact CG2-CD1 3.5Å; I1838-I1845 HydrophobicContact CG2-CG1 4.06Å; D1842-I1845 PolarHBondContact O-N 3.2Å; D1842-I1845 VanDerWaalsContact O-N 3.08Å; I1845-K1849 PolarHBondContact O-NZ 2.89Å
1846L84.1Confident81Confident0 Ų050.2 Ų50.20%026%0.258CS..Iπ-helixtrans-133.5-20.7-175-141.276.4000114L1727 G1806 L1810 P1840 D1842 S1848 K1849 L1850L1727-L1846 HydrophobicContact CB-CD2 4.45Å; L1727-L1846 HydrophobicContact CD1-CD1 4.43Å; L1727-L1846 HydrophobicContact CD2-CD1 4.33Å; G1806-L1846 VanDerWaalsContact CA-CD1 3.44Å; L1810-L1846 HydrophobicContact CD1-CD2 4.15Å; L1810-L1846 HydrophobicContact CD2-CD2 4.23Å; L1810-L1846 HydrophobicContact CG-CD1 4.28Å; L1810-L1846 HydrophobicContact CG-CD2 4.32Å; P1840-L1846 WeakPolarHBondContact O-CB 3.2Å; D1842-L1846 PolarHBondContact O-N 2.98Å; D1842-L1846 VanDerWaalsContact O-N 3.11Å; L1846-S1848 PolarHBondContact O-N 2.67Å; L1846-K1849 HydrophobicContact CD1-CD 4.28Å; L1846-K1849 PolarHBondContact O-N 3.47Å; L1846-K1849 VanDerWaalsContact O-N 3.12Å; L1846-L1850 HydrophobicContact CB-CD1 4.42Å; L1846-L1850 HydrophobicContact CD2-CD1 3.97Å; L1846-L1850 HydrophobicContact CD2-CD2 4.29Å; L1846-L1850 HydrophobicContact CD2-CG 4.08Å; L1846-L1850 HydrophobicContact CG-CD1 4.29Å; L1846-L1850 HydrophobicContact CG-CG 4.11Å; L1846-L1850 WeakPolarHBondContact O-CG 3.36Å; L1846-L1850 PolarHBondContact O-N 3.15Å
1847G86.9Confident83.2Confident5 Ų547.8 Ų47.85%0.05225%0.246CC..Iπ-helixtrans-56.5-49.4-175.700000113.3F1841 D1842 K1849 L1850 I1851F1841-G1847 WeakPolarHBondContact O-CA 3.01Å; F1841-G1847 PolarHBondContact O-N 3.47Å; D1842-G1847 PolarHBondContact O-N 3.5Å; G1847-K1849 VanDerWaalsContact C-N 3.32Å; G1847-K1849 PolarHBondContact O-N 2.99Å; G1847-L1850 PolarHBondContact O-N 2.76Å; G1847-I1851 WeakPolarHBondContact O-CB 3.3Å; G1847-I1851 WeakPolarHBondContact O-CG1 3.49Å; G1847-I1851 PolarHBondContact O-N 2.84Å
1848S88.3Confident85.1Confident19 Ų1946 Ų4613%0.13324%0.242CC..Hα-helixtrans-58.4-40.9176.150.40000112.9W1843 L1846 A1852W1843-S1848 VanDerWaalsContact O-CB 3.32Å; W1843-S1848 WeakPolarHBondContact O-CB 3.27Å; W1843-S1848 PolarHBondContact O-N 2.82Å; W1843-S1848 PolarHBondContact O-OG 2.82Å; L1846-S1848 PolarHBondContact O-N 2.67Å; S1848-A1852 WeakPolarHBondContact O-CB 3.46Å; S1848-A1852 PolarHBondContact O-N 3.18Å
1849K89.5Confident86.6Confident8 Ų849.7 Ų49.74%0.03526%0.261CS..Hα-helixtrans-69-42.8177.7-59.8173.8-173132.30112.1C1802 D1809 I1845 L1846 G1847 I1851 A1852 L1853C1802-K1849 HydrophobicContact CB-CB 4.23Å; C1802-K1849 HydrophobicContact CB-CG 4.48Å; D1809-K1849 IonicContact OD2-NZ 3.43Å; D1809-K1849 PolarHBondContact OD2-NZ 3.16Å; I1845-K1849 PolarHBondContact O-NZ 2.89Å; L1846-K1849 HydrophobicContact CD1-CD 4.28Å; L1846-K1849 PolarHBondContact O-N 3.47Å; L1846-K1849 VanDerWaalsContact O-N 3.12Å; G1847-K1849 VanDerWaalsContact C-N 3.32Å; G1847-K1849 PolarHBondContact O-N 2.99Å; K1849-I1851 VanDerWaalsContact C-N 3.3Å; K1849-I1851 PolarHBondContact O-N 3.35Å; K1849-A1852 PolarHBondContact O-N 2.67Å; K1849-L1853 WeakPolarHBondContact O-CG 3.5Å; K1849-L1853 PolarHBondContact O-N 3.17Å
1850L90Very high87.5Confident15 Ų1546.2 Ų46.28%0.07924%0.241CC..Hα-helixtrans-67.2-29.5178.4-71.5175000112.7L1726 L1727 L1730 F1841 L1846 G1847 P1854L1726-L1850 HydrophobicContact CB-CD2 4.2Å; L1727-L1850 HydrophobicContact CB-CD2 4.31Å; L1727-L1850 HydrophobicContact CD1-CD2 4.27Å; L1730-L1850 HydrophobicContact CD1-CD2 3.93Å; F1841-L1850 HydrophobicContact CD1-CD1 3.49Å; F1841-L1850 VanDerWaalsContact CD1-CD1 3.49Å; F1841-L1850 HydrophobicContact CE1-CD1 3.73Å; L1846-L1850 HydrophobicContact CB-CD1 4.42Å; L1846-L1850 HydrophobicContact CD2-CD1 3.97Å; L1846-L1850 HydrophobicContact CD2-CD2 4.29Å; L1846-L1850 HydrophobicContact CD2-CG 4.08Å; L1846-L1850 HydrophobicContact CG-CD1 4.29Å; L1846-L1850 HydrophobicContact CG-CG 4.11Å; L1846-L1850 WeakPolarHBondContact O-CG 3.36Å; L1846-L1850 PolarHBondContact O-N 3.15Å; G1847-L1850 PolarHBondContact O-N 2.76Å; L1850-P1854 WeakPolarHBondContact O-CD 3.09Å
1851I91.1Very high88.1Confident83 Ų8347.1 Ų47.143%0.42624%0.244SC..Hα-helixtrans-81.9-34.5177.1-69.1166.7000111.5W1843 G1847 K1849 P1854 I1855W1843-I1851 HydrophobicContact CE3-CD1 4.25Å; W1843-I1851 HydrophobicContact CH2-CD1 4.5Å; W1843-I1851 HydrophobicContact CZ3-CD1 3.62Å; G1847-I1851 WeakPolarHBondContact O-CB 3.3Å; G1847-I1851 WeakPolarHBondContact O-CG1 3.49Å; G1847-I1851 PolarHBondContact O-N 2.84Å; K1849-I1851 VanDerWaalsContact C-N 3.3Å; K1849-I1851 PolarHBondContact O-N 3.35Å; I1851-P1854 WeakPolarHBondContact O-CD 3.3Å; I1851-P1854 WeakPolarHBondContact O-CG 3.5Å; I1851-I1855 HydrophobicContact CG2-CD1 3.86Å; I1851-I1855 WeakPolarHBondContact O-CD1 3.2Å; I1851-I1855 WeakPolarHBondContact O-CG1 3.34Å
1852A90.4Very high88.2Confident17 Ų1747.1 Ų47.114%0.1425%0.247CC..Hα-helixtrans-62.7-49.4177.400000112.9S1848 K1849 I1855 E1856S1848-A1852 WeakPolarHBondContact O-CB 3.46Å; S1848-A1852 PolarHBondContact O-N 3.18Å; K1849-A1852 PolarHBondContact O-N 2.67Å; A1852-I1855 WeakPolarHBondContact O-CB 3.32Å; A1852-I1855 PolarHBondContact O-N 2.92Å; A1852-E1856 WeakPolarHBondContact O-CG 3.35Å; A1852-E1856 PolarHBondContact O-N 3.17Å
1853L92.6Very high88.5Confident0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-51.5-50.4-175.5-69.5167.6000115.3L1727 L1730 A1734 P1799 C1802 K1849 E1856 A1857L1727-L1853 HydrophobicContact CD1-CD1 4.26Å; L1730-L1853 HydrophobicContact CB-CB 4.06Å; L1730-L1853 HydrophobicContact CB-CD1 3.89Å; A1734-L1853 HydrophobicContact CB-CB 4Å; A1734-L1853 HydrophobicContact CB-CD2 3.58Å; A1734-L1853 HydrophobicContact CB-CG 4.41Å; A1734-L1853 VanDerWaalsContact CB-O 3.26Å; A1734-L1853 WeakPolarHBondContact CB-O 3.44Å; P1799-L1853 HydrophobicContact CB-CD2 3.69Å; P1799-L1853 HydrophobicContact CG-CD2 4.28Å; C1802-L1853 HydrophobicContact CB-CD1 4.49Å; C1802-L1853 HydrophobicContact CB-CD2 4.14Å; C1802-L1853 HydrophobicContact CB-CG 4.37Å; K1849-L1853 WeakPolarHBondContact O-CG 3.5Å; K1849-L1853 PolarHBondContact O-N 3.17Å; L1853-E1856 PolarHBondContact O-N 2.84Å; L1853-A1857 PolarHBondContact O-N 2.95Å
1854P92.1Very high88.8Confident50 Ų5043 Ų4333%0.32523%0.232SC..Hα-helixtrans-70.9-28.4177.527.4-34.9000113.5L1730 L1850 I1851 C1858L1730-P1854 HydrophobicContact CD2-CB 4.31Å; L1730-P1854 HydrophobicContact CD2-CG 4.48Å; L1850-P1854 WeakPolarHBondContact O-CD 3.09Å; I1851-P1854 WeakPolarHBondContact O-CD 3.3Å; I1851-P1854 WeakPolarHBondContact O-CG 3.5Å; P1854-C1858 PolarHBondContact O-N 3.45Å
1855I92.5Very high89.3Confident93 Ų9338.5 Ų38.548%0.47721%0.207SC..Hα-helixtrans-68.6-45.6174.7-65.1172.3000109.7I1851 A1852 A1857 C1858 L1859I1851-I1855 HydrophobicContact CG2-CD1 3.86Å; I1851-I1855 WeakPolarHBondContact O-CD1 3.2Å; I1851-I1855 WeakPolarHBondContact O-CG1 3.34Å; A1852-I1855 WeakPolarHBondContact O-CB 3.32Å; A1852-I1855 PolarHBondContact O-N 2.92Å; I1855-A1857 PolarHBondContact O-N 2.99Å; I1855-C1858 PolarHBondContact O-N 2.87Å; I1855-L1859 HydrophobicContact CG2-CD1 3.91Å; I1855-L1859 HydrophobicContact CG2-CG 4.41Å; I1855-L1859 WeakPolarHBondContact O-CG 3.39Å; I1855-L1859 PolarHBondContact O-N 2.77Å
1856E91.4Very high89.5Confident18 Ų1840.8 Ų40.88%0.08422%0.216CC..Hα-helixtrans-56.7-46.5172.8-76.2162.4-161.600111.8P1799 A1852 L1853 C1858 L1859 F1860P1799-E1856 WeakPolarHBondContact CG-OE2 3.4Å; A1852-E1856 WeakPolarHBondContact O-CG 3.35Å; A1852-E1856 PolarHBondContact O-N 3.17Å; L1853-E1856 PolarHBondContact O-N 2.84Å; E1856-C1858 VanDerWaalsContact C-N 3.34Å; E1856-C1858 PolarHBondContact O-N 3.11Å; E1856-L1859 PolarHBondContact O-N 2.78Å; E1856-F1860 HydrophobicContact CB-CD2 4.12Å; E1856-F1860 HydrophobicContact CB-CE2 3.82Å; E1856-F1860 HydrophobicContact CG-CE2 4.23Å; E1856-F1860 WeakPolarHBondContact O-CB 3.24Å; E1856-F1860 WeakPolarHBondContact O-CD2 3.37Å; E1856-F1860 WeakPolarHBondContact O-CG 3.48Å; E1856-F1860 PolarHBondContact O-N 3.16Å
1857A91.6Very high89.4Confident4 Ų444.9 Ų44.93%0.03323%0.234CC..Hα-helixtrans-54.3-48.7176.600000112.2I1733 L1853 I1855 F1861I1733-A1857 HydrophobicContact CG2-CB 3.88Å; I1733-A1857 WeakPolarHBondContact O-CB 3.44Å; L1853-A1857 PolarHBondContact O-N 2.95Å; I1855-A1857 PolarHBondContact O-N 2.99Å; A1857-F1861 VanDerWaalsContact O-CB 3.25Å; A1857-F1861 WeakPolarHBondContact O-CB 3.33Å; A1857-F1861 PolarHBondContact O-N 3.27Å
1858C91.9Very high89.2Confident84 Ų8446.6 Ų46.657%0.56824%0.241SC*.Hα-helixtrans-65.8-44.9178.3-77.30000112.7P1854 I1855 E1856 F1861 L1862P1854-C1858 PolarHBondContact O-N 3.45Å; I1855-C1858 PolarHBondContact O-N 2.87Å; E1856-C1858 VanDerWaalsContact C-N 3.34Å; E1856-C1858 PolarHBondContact O-N 3.11Å; C1858-F1861 PolarHBondContact O-N 3.35Å; C1858-L1862 WeakPolarHBondContact O-CB 3.47Å; C1858-L1862 WeakPolarHBondContact O-CG 3.4Å; C1858-L1862 PolarHBondContact O-N 3.49Å
1859L91.4Very high88.6Confident93 Ų9349.6 Ų49.649%0.48726%0.255SS..Hα-helixtrans-61.8-49.6178.8-73.3171.7000111.6I1855 E1856 F1861 L1862 F1863I1855-L1859 HydrophobicContact CG2-CD1 3.91Å; I1855-L1859 HydrophobicContact CG2-CG 4.41Å; I1855-L1859 WeakPolarHBondContact O-CG 3.39Å; I1855-L1859 PolarHBondContact O-N 2.77Å; E1856-L1859 PolarHBondContact O-N 2.78Å; L1859-F1861 PolarHBondContact O-N 2.81Å; L1859-L1862 PolarHBondContact O-N 2.93Å; L1859-F1863 WeakPolarHBondContact O-CD2 3.43Å; L1859-F1863 PolarHBondContact O-N 3.32Å
1860F91.4Very high87.5Confident39 Ų3954.4 Ų54.417%0.17128%0.278CS..Hα-helixtrans-65.6-36.9178.9-64.8-45.2000112.1P1737 M1738 I1741 E1856 F1863 I1864P1737-F1860 HydrophobicContact CB-CB 3.76Å; M1738-F1860 HydrophobicContact CB-CD2 3.6Å; M1738-F1860 HydrophobicContact CB-CE2 3.74Å; M1738-F1860 HydrophobicContact CB-CG 4.18Å; M1738-F1860 HydrophobicContact CB-CZ 4.4Å; M1738-F1860 HydrophobicContact CG-CD2 3.93Å; M1738-F1860 HydrophobicContact CG-CE1 4.28Å; M1738-F1860 HydrophobicContact CG-CE2 3.59Å; M1738-F1860 HydrophobicContact CG-CG 4.43Å; M1738-F1860 HydrophobicContact CG-CZ 3.79Å; M1738-F1860 HydrophobicContact SD-CE2 4.42Å; I1741-F1860 HydrophobicContact CD1-CB 3.9Å; I1741-F1860 HydrophobicContact CD1-CD1 3.57Å; I1741-F1860 HydrophobicContact CD1-CE1 4.49Å; I1741-F1860 HydrophobicContact CD1-CG 4.08Å; E1856-F1860 HydrophobicContact CB-CD2 4.12Å; E1856-F1860 HydrophobicContact CB-CE2 3.82Å; E1856-F1860 HydrophobicContact CG-CE2 4.23Å; E1856-F1860 WeakPolarHBondContact O-CB 3.24Å; E1856-F1860 WeakPolarHBondContact O-CD2 3.37Å; E1856-F1860 WeakPolarHBondContact O-CG 3.48Å; E1856-F1860 PolarHBondContact O-N 3.16Å; F1860-F1863 PolarHBondContact O-N 2.67Å; F1860-I1864 WeakPolarHBondContact O-CD1 3.45Å; F1860-I1864 WeakPolarHBondContact O-CG1 3.49Å; F1860-I1864 PolarHBondContact O-N 3.18Å
1861F90.1Very high86.3Confident27 Ų2759 Ų5912%0.11830%0.297CS..Hα-helixtrans-66.8-39175.8-163-105.9000112.7W1685 Y1689 P1737 A1857 C1858 L1859 I1864 I1865W1685-F1861 HydrophobicContact CB-CE2 4.49Å; W1685-F1861 HydrophobicContact CB-CZ 4.45Å; Y1689-F1861 HydrophobicContact CD1-CD2 4.02Å; Y1689-F1861 AromaticContact CD1-CE2 3.7Å; Y1689-F1861 HydrophobicContact CD1-CE2 3.7Å; Y1689-F1861 HydrophobicContact CD1-CZ 4.15Å; Y1689-F1861 HydrophobicContact CE1-CD2 4.27Å; Y1689-F1861 HydrophobicContact CE1-CE2 4.38Å; Y1689-F1861 HydrophobicContact CG-CD2 4.35Å; Y1689-F1861 AromaticContact CG-CE2 3.95Å; Y1689-F1861 HydrophobicContact CG-CE2 3.95Å; P1737-F1861 HydrophobicContact CB-CB 4.3Å; A1857-F1861 VanDerWaalsContact O-CB 3.25Å; A1857-F1861 WeakPolarHBondContact O-CB 3.33Å; A1857-F1861 PolarHBondContact O-N 3.27Å; C1858-F1861 PolarHBondContact O-N 3.35Å; L1859-F1861 PolarHBondContact O-N 2.81Å; F1861-I1864 PolarHBondContact O-N 3.41Å; F1861-I1865 HydrophobicContact CD1-CD1 3.83Å; F1861-I1865 HydrophobicContact CE1-CD1 3.65Å; F1861-I1865 HydrophobicContact CE1-CG1 4.5Å; F1861-I1865 HydrophobicContact CZ-CD1 4.45Å; F1861-I1865 PolarHBondContact O-N 3.32Å
1862L88.7Confident84.6Confident83 Ų8360.7 Ų60.744%0.43530%0.302SS..Hα-helixtrans-61.9-44.8171.9-82.3165.4000112.2C1858 L1859 I1864 I1865 F1866C1858-L1862 WeakPolarHBondContact O-CB 3.47Å; C1858-L1862 WeakPolarHBondContact O-CG 3.4Å; C1858-L1862 PolarHBondContact O-N 3.49Å; L1859-L1862 PolarHBondContact O-N 2.93Å; L1862-I1864 VanDerWaalsContact C-N 3.25Å; L1862-I1864 PolarHBondContact O-N 2.89Å; L1862-I1865 PolarHBondContact O-N 2.66Å; L1862-I1865 VanDerWaalsContact O-N 3.16Å; L1862-F1866 HydrophobicContact CB-CD2 4.32Å; L1862-F1866 HydrophobicContact CB-CE2 3.97Å; L1862-F1866 HydrophobicContact CD2-CE2 4.05Å; L1862-F1866 HydrophobicContact CD2-CZ 4.06Å; L1862-F1866 WeakPolarHBondContact O-CD2 3.33Å; L1862-F1866 WeakPolarHBondContact O-CG 3.46Å; L1862-F1866 PolarHBondContact O-N 2.83Å
1863F87.9Confident83.1Confident119 Ų11964.7 Ų64.752%0.52232%0.32SS..Hα-helixtrans-57.8-35.9176.5-83.6-61.4000113.1I1741 L1859 F1860 K1867I1741-F1863 HydrophobicContact CD1-CB 4.21Å; L1859-F1863 WeakPolarHBondContact O-CD2 3.43Å; L1859-F1863 PolarHBondContact O-N 3.32Å; F1860-F1863 PolarHBondContact O-N 2.67Å; F1863-K1867 VanDerWaalsContact O-CB 3.24Å; F1863-K1867 WeakPolarHBondContact O-CB 3.36Å; F1863-K1867 PolarHBondContact O-N 2.66Å; F1863-K1867 VanDerWaalsContact O-N 3.08Å
1864I88.4Confident81.5Confident1 Ų168.7 Ų68.71%0.00534%0.339CS..Hα-helixtrans-66.1-47.6175.7-63.4158.6000110.8W1685 P1737 Y1740 I1741 F1744 F1860 F1861 L1862 K1867 E1868W1685-I1864 HydrophobicContact CD2-CG2 3.71Å; W1685-I1864 HydrophobicContact CE3-CG2 4.08Å; W1685-I1864 HydrophobicContact CG-CG2 4.16Å; W1685-I1864 HydrophobicContact CH2-CG2 4.15Å; W1685-I1864 HydrophobicContact CZ2-CG2 3.8Å; W1685-I1864 HydrophobicContact CZ3-CG2 4.29Å; P1737-I1864 HydrophobicContact CB-CD1 4.33Å; Y1740-I1864 VanDerWaalsContact CB-CD1 3.41Å; Y1740-I1864 HydrophobicContact CD2-CD1 3.93Å; Y1740-I1864 HydrophobicContact CG-CD1 4.19Å; I1741-I1864 HydrophobicContact CG1-CD1 4.35Å; I1741-I1864 HydrophobicContact CG1-CG1 3.81Å; F1744-I1864 HydrophobicContact CE2-CG2 4.24Å; F1744-I1864 HydrophobicContact CZ-CG2 4.25Å; F1860-I1864 WeakPolarHBondContact O-CD1 3.45Å; F1860-I1864 WeakPolarHBondContact O-CG1 3.49Å; F1860-I1864 PolarHBondContact O-N 3.18Å; F1861-I1864 PolarHBondContact O-N 3.41Å; L1862-I1864 VanDerWaalsContact C-N 3.25Å; L1862-I1864 PolarHBondContact O-N 2.89Å; I1864-K1867 PolarHBondContact O-N 2.95Å; I1864-E1868 WeakPolarHBondContact O-CB 3.13Å; I1864-E1868 PolarHBondContact O-N 3.01Å
1865I86Confident80Confident27 Ų2768.8 Ų68.814%0.13834%0.34CS..Hα-helixtrans-63.2-45.6-179.6-66.6169.7000111F1682 F1861 L1862 K1867 E1868 N1869F1682-I1865 HydrophobicContact CD2-CD1 3.91Å; F1682-I1865 HydrophobicContact CE2-CD1 4.01Å; F1861-I1865 HydrophobicContact CD1-CD1 3.83Å; F1861-I1865 HydrophobicContact CE1-CD1 3.65Å; F1861-I1865 HydrophobicContact CE1-CG1 4.5Å; F1861-I1865 HydrophobicContact CZ-CD1 4.45Å; F1861-I1865 PolarHBondContact O-N 3.32Å; L1862-I1865 PolarHBondContact O-N 2.66Å; L1862-I1865 VanDerWaalsContact O-N 3.16Å; I1865-K1867 VanDerWaalsContact C-N 3.29Å; I1865-K1867 PolarHBondContact O-N 2.96Å; I1865-E1868 PolarHBondContact O-N 3.4Å; I1865-N1869 WeakPolarHBondContact O-CB 3.44Å; I1865-N1869 PolarHBondContact O-N 3.39Å
1866F84.3Confident78.4Confident71 Ų7168.4 Ų68.431%0.31134%0.338SS..Hα-helixtrans-63.1-35.2177.5-66.9-47.7000112.6L1862 Q1870 F1871 F1872L1862-F1866 HydrophobicContact CB-CD2 4.32Å; L1862-F1866 HydrophobicContact CB-CE2 3.97Å; L1862-F1866 HydrophobicContact CD2-CE2 4.05Å; L1862-F1866 HydrophobicContact CD2-CZ 4.06Å; L1862-F1866 WeakPolarHBondContact O-CD2 3.33Å; L1862-F1866 WeakPolarHBondContact O-CG 3.46Å; L1862-F1866 PolarHBondContact O-N 2.83Å; F1866-Q1870 PolarHBondContact O-N 2.82Å; F1866-F1871 HydrophobicContact CB-CB 4.41Å; F1866-F1871 HydrophobicContact CD1-CB 4.06Å; F1866-F1871 HydrophobicContact CD1-CD1 4.04Å; F1866-F1871 HydrophobicContact CD1-CG 4.09Å; F1866-F1871 HydrophobicContact CE1-CD1 4.34Å; F1866-F1871 PolarHBondContact O-N 3.16Å; F1866-F1872 HydrophobicContact CB-CD2 4.24Å; F1866-F1872 HydrophobicContact CB-CE2 4.1Å; F1866-F1872 HydrophobicContact CD2-CE2 4.28Å; F1866-F1872 HydrophobicContact CG-CE2 4.18Å
1867K81.9Confident76.9Confident86 Ų8670.9 Ų70.937%0.37435%0.352SS..Hα-helixtrans-73.5-46.4177.5-176169.7-177.7171.50112.6F1744 F1863 I1864 I1865 N1869 Q1870F1744-K1867 HydrophobicContact CB-CD 4.38Å; F1744-K1867 HydrophobicContact CD1-CD 4.16Å; F1744-K1867 HydrophobicContact CD1-CG 4.46Å; F1744-K1867 HydrophobicContact CD2-CD 3.83Å; F1744-K1867 HydrophobicContact CE1-CD 4.36Å; F1744-K1867 HydrophobicContact CE1-CG 4.31Å; F1744-K1867 HydrophobicContact CE2-CD 4.04Å; F1744-K1867 HydrophobicContact CG-CD 3.88Å; F1744-K1867 VanDerWaalsContact CG-CE 3.5Å; F1744-K1867 HydrophobicContact CZ-CD 4.3Å; F1744-K1867 HydrophobicContact CZ-CG 4.35Å; F1863-K1867 VanDerWaalsContact O-CB 3.24Å; F1863-K1867 WeakPolarHBondContact O-CB 3.36Å; F1863-K1867 PolarHBondContact O-N 2.66Å; F1863-K1867 VanDerWaalsContact O-N 3.08Å; I1864-K1867 PolarHBondContact O-N 2.95Å; I1865-K1867 VanDerWaalsContact C-N 3.29Å; I1865-K1867 PolarHBondContact O-N 2.96Å; K1867-N1869 PolarHBondContact O-N 3.4Å; K1867-Q1870 PolarHBondContact O-N 2.92Å
1868E82Confident75.4Confident42 Ų4274.8 Ų74.820%0.19637%0.373CS..Hα-helixtrans-60.9-44.4179.2-172.377.2-157.500111.3K1671 Y1675 S1681 W1685 I1864 I1865 Q1870K1671-E1868 WeakPolarHBondContact CE-OE1 3.45Å; K1671-E1868 IonicContact NZ-OE1 3.93Å; K1671-E1868 PolarHBondContact NZ-OE1 3.1Å; K1671-E1868 IonicContact NZ-OE2 3.78Å; K1671-E1868 PolarHBondContact NZ-OE2 3.45Å; Y1675-E1868 WeakPolarHBondContact CE2-OE1 3.11Å; Y1675-E1868 PolarHBondContact OH-OE1 2.63Å; S1681-E1868 WeakPolarHBondContact OG-CG 3.38Å; W1685-E1868 WeakPolarHBondContact CZ2-OE2 3.3Å; W1685-E1868 PolarHBondContact NE1-OE2 3.13Å; I1864-E1868 WeakPolarHBondContact O-CB 3.13Å; I1864-E1868 PolarHBondContact O-N 3.01Å; I1865-E1868 PolarHBondContact O-N 3.4Å; E1868-Q1870 PolarHBondContact O-N 2.72Å
1869N74.8Confident74.1Confident81 Ų8177.6 Ų77.643%0.43337%0.372SS..THydrogen-bonded Turntrans-83.59.4-180-60.8-15.3000113.2S1681 I1865 K1867 F1871S1681-N1869 PolarHBondContact OG-OD1 3.1Å; I1865-N1869 WeakPolarHBondContact O-CB 3.44Å; I1865-N1869 PolarHBondContact O-N 3.39Å; K1867-N1869 PolarHBondContact O-N 3.4Å; N1869-F1871 PolarHBondContact O-N 3.41Å
1870Q67.7Low72.6Confident110 Ų11077.7 Ų77.751%0.51437%0.369SS..THydrogen-bonded Turntrans47.428.2-175.8-58.2-164.91600115.3F1866 K1867 E1868 F1872 I1873 Q1874F1866-Q1870 PolarHBondContact O-N 2.82Å; K1867-Q1870 PolarHBondContact O-N 2.92Å; E1868-Q1870 PolarHBondContact O-N 2.72Å; Q1870-F1872 PolarHBondContact O-N 3.14Å; Q1870-I1873 PolarHBondContact O-N 3.39Å; Q1870-Q1874 PolarHBondContact O-N 3.41Å
1871F63.2Low71.2Confident110 Ų11078.7 Ų78.748%0.48237%0.372SS..Hα-helixtrans-56.4-45.7-161.9-170.9-96.2000112.8F1866 N1869 S1875F1866-F1871 HydrophobicContact CB-CB 4.41Å; F1866-F1871 HydrophobicContact CD1-CB 4.06Å; F1866-F1871 HydrophobicContact CD1-CD1 4.04Å; F1866-F1871 HydrophobicContact CD1-CG 4.09Å; F1866-F1871 HydrophobicContact CE1-CD1 4.34Å; F1866-F1871 PolarHBondContact O-N 3.16Å; N1869-F1871 PolarHBondContact O-N 3.41Å; F1871-S1875 WeakPolarHBondContact O-CB 3.33Å; F1871-S1875 PolarHBondContact O-N 2.86Å; F1871-S1875 PolarHBondContact O-OG 3Å
1872F56.9Low70.2Confident119 Ų11983.5 Ų83.552%0.52240%0.397SS..Hα-helixtrans-64.9-46.3176.9-77.8-82.2000112.8F1866 Q1870 Q1874 I1876F1866-F1872 HydrophobicContact CB-CD2 4.24Å; F1866-F1872 HydrophobicContact CB-CE2 4.1Å; F1866-F1872 HydrophobicContact CD2-CE2 4.28Å; F1866-F1872 HydrophobicContact CG-CE2 4.18Å; Q1870-F1872 PolarHBondContact O-N 3.14Å; F1872-Q1874 PolarHBondContact O-N 3.01Å; F1872-I1876 HydrophobicContact CB-CD1 4.44Å; F1872-I1876 WeakPolarHBondContact O-CB 3.42Å; F1872-I1876 WeakPolarHBondContact O-CD1 3.15Å; F1872-I1876 WeakPolarHBondContact O-CG1 3.49Å; F1872-I1876 PolarHBondContact O-N 2.85Å
1873I59.5Low69.3Low102 Ų10283.3 Ų83.352%0.52340%0.397SS..Hα-helixtrans-64.2-45.6-177-64.4172.3000110.3Q1870 N1877Q1870-I1873 PolarHBondContact O-N 3.39Å; I1873-N1877 WeakPolarHBondContact O-CB 3.29Å; I1873-N1877 VanDerWaalsContact O-CG 3.24Å; I1873-N1877 PolarHBondContact O-N 3.2Å; I1873-N1877 PolarHBondContact O-ND2 3.14Å
1874Q58.7Low68.3Low84 Ų8483.5 Ų83.539%0.39340%0.395SS..Hα-helixtrans-78.6-34.2-175.2-151.4153.31000112Q1870 F1872 N1878Q1870-Q1874 PolarHBondContact O-N 3.41Å; F1872-Q1874 PolarHBondContact O-N 3.01Å; Q1874-N1878 VanDerWaalsContact O-CB 3.31Å; Q1874-N1878 WeakPolarHBondContact O-CB 3.46Å; Q1874-N1878 VanDerWaalsContact O-CG 3.3Å; Q1874-N1878 PolarHBondContact O-N 3.31Å
1875S59.4Low66.8Low51 Ų5187.4 Ų87.436%0.35742%0.42SS..Hα-helixtrans-68-41.6170.9-59.20000112.5F1871 N1878 Y1879F1871-S1875 WeakPolarHBondContact O-CB 3.33Å; F1871-S1875 PolarHBondContact O-N 2.86Å; F1871-S1875 PolarHBondContact O-OG 3Å; S1875-N1878 PolarHBondContact O-N 3.32Å; S1875-Y1879 WeakPolarHBondContact O-CB 3.39Å; S1875-Y1879 PolarHBondContact O-N 3.42Å
1876I59.6Low65.9Low85 Ų8595 Ų9544%0.43645%0.452SS..Hα-helixtrans-63.6-48.7176.3-72.1167.5000109.9F1872 N1878 Y1879 F1880F1872-I1876 HydrophobicContact CB-CD1 4.44Å; F1872-I1876 WeakPolarHBondContact O-CB 3.42Å; F1872-I1876 WeakPolarHBondContact O-CD1 3.15Å; F1872-I1876 WeakPolarHBondContact O-CG1 3.49Å; F1872-I1876 PolarHBondContact O-N 2.85Å; I1876-N1878 PolarHBondContact O-N 3.1Å; I1876-Y1879 PolarHBondContact O-N 3.44Å; I1876-F1880 HydrophobicContact CG2-CD2 3.75Å; I1876-F1880 HydrophobicContact CG2-CE2 3.96Å; I1876-F1880 WeakPolarHBondContact O-CD2 3.49Å; I1876-F1880 PolarHBondContact O-N 3.29Å
1877N59.3Low64.7Low71 Ų7195.3 Ų95.338%0.3846%0.457SS..Hα-helixtrans-58.9-49.1177-75.4-13.9000111.6I1873 Y1879 F1880 Y1881I1873-N1877 WeakPolarHBondContact O-CB 3.29Å; I1873-N1877 VanDerWaalsContact O-CG 3.24Å; I1873-N1877 PolarHBondContact O-N 3.2Å; I1873-N1877 PolarHBondContact O-ND2 3.14Å; N1877-Y1879 PolarHBondContact O-N 3.32Å; N1877-F1880 PolarHBondContact O-N 3.34Å; N1877-Y1881 HydrophobicContact CB-CD2 4.24Å; N1877-Y1881 HydrophobicContact CB-CE2 3.96Å; N1877-Y1881 WeakPolarHBondContact O-CB 3.35Å; N1877-Y1881 WeakPolarHBondContact O-CD2 2.81Å; N1877-Y1881 PolarHBondContact O-N 3.43Å
1878N60.3Low63.6Low86 Ų8694.4 Ų94.446%0.4646%0.456SS..Hα-helixtrans-64.1-41.9178.9-74.63.4000112.2Q1874 S1875 I1876 F1880 Y1881 I1882Q1874-N1878 VanDerWaalsContact O-CB 3.31Å; Q1874-N1878 WeakPolarHBondContact O-CB 3.46Å; Q1874-N1878 VanDerWaalsContact O-CG 3.3Å; Q1874-N1878 PolarHBondContact O-N 3.31Å; S1875-N1878 PolarHBondContact O-N 3.32Å; I1876-N1878 PolarHBondContact O-N 3.1Å; N1878-F1880 PolarHBondContact O-N 3.12Å; N1878-Y1881 PolarHBondContact O-N 2.96Å; N1878-I1882 HydrophobicContact CB-CD1 4.41Å; N1878-I1882 VanDerWaalsContact O-CB 3.29Å; N1878-I1882 WeakPolarHBondContact O-CB 3.41Å; N1878-I1882 WeakPolarHBondContact O-CD1 3.36Å; N1878-I1882 WeakPolarHBondContact O-CG1 3.26Å; N1878-I1882 PolarHBondContact O-N 3.33Å
1879Y65.8Low62.6Low142 Ų142100.2 Ų100.256%0.55748%0.48SS*.Hα-helixtrans-59.7-46.8175.9-179.4-87.8000111.5S1875 I1876 N1877 N1883S1875-Y1879 WeakPolarHBondContact O-CB 3.39Å; S1875-Y1879 PolarHBondContact O-N 3.42Å; I1876-Y1879 PolarHBondContact O-N 3.44Å; N1877-Y1879 PolarHBondContact O-N 3.32Å; Y1879-N1883 WeakPolarHBondContact CD2-ND2 3.47Å; Y1879-N1883 WeakPolarHBondContact CE2-ND2 3.19Å; Y1879-N1883 VanDerWaalsContact O-CB 3.3Å; Y1879-N1883 WeakPolarHBondContact O-CB 3.39Å; Y1879-N1883 PolarHBondContact O-N 3.08Å; Y1879-N1883 PolarHBondContact O-ND2 3.12Å
1880F58.8Low62Low95 Ų95102.5 Ų102.542%0.41749%0.487SS..Hα-helixtrans-68-36.5176.6-86.6-75.9000113I1876 N1877 N1878 Y1884 L1887I1876-F1880 HydrophobicContact CG2-CD2 3.75Å; I1876-F1880 HydrophobicContact CG2-CE2 3.96Å; I1876-F1880 WeakPolarHBondContact O-CD2 3.49Å; I1876-F1880 PolarHBondContact O-N 3.29Å; N1877-F1880 PolarHBondContact O-N 3.34Å; N1878-F1880 PolarHBondContact O-N 3.12Å; F1880-Y1884 AromaticContact CD1-CD2 3.68Å; F1880-Y1884 HydrophobicContact CD1-CD2 3.68Å; F1880-Y1884 AromaticContact CD1-CE2 3.87Å; F1880-Y1884 HydrophobicContact CD1-CE2 3.87Å; F1880-Y1884 HydrophobicContact CE1-CD2 4.26Å; F1880-Y1884 HydrophobicContact CE1-CE2 4.01Å; F1880-Y1884 CarbonylContact O-C 3.51Å; F1880-Y1884 WeakPolarHBondContact O-CA 3.44Å; F1880-Y1884 VanDerWaalsContact O-CB 3.28Å; F1880-Y1884 WeakPolarHBondContact O-CB 3.31Å; F1880-Y1884 PolarHBondContact O-N 2.85Å; F1880-L1887 HydrophobicContact CD1-CD1 3.95Å
1881Y62.9Low61.6Low61 Ų61101.3 Ų101.324%0.23948%0.481CS..Hα-helixtrans-75.3-33.4179.1-66.3-36.2000113.5N1877 N1878 L1888 H1891N1877-Y1881 HydrophobicContact CB-CD2 4.24Å; N1877-Y1881 HydrophobicContact CB-CE2 3.96Å; N1877-Y1881 WeakPolarHBondContact O-CB 3.35Å; N1877-Y1881 WeakPolarHBondContact O-CD2 2.81Å; N1877-Y1881 PolarHBondContact O-N 3.43Å; N1878-Y1881 PolarHBondContact O-N 2.96Å; Y1881-L1888 HydrophobicContact CD1-CB 3.73Å; Y1881-L1888 HydrophobicContact CD1-CD1 3.71Å; Y1881-L1888 HydrophobicContact CD1-CG 4.3Å; Y1881-L1888 HydrophobicContact CD2-CD1 4.14Å; Y1881-L1888 HydrophobicContact CE1-CB 4.45Å; Y1881-L1888 HydrophobicContact CE1-CD1 3.94Å; Y1881-L1888 HydrophobicContact CE2-CD1 4.36Å; Y1881-L1888 HydrophobicContact CG-CB 4.2Å; Y1881-L1888 HydrophobicContact CG-CD1 3.81Å; Y1881-L1888 HydrophobicContact CG-CG 4.48Å; Y1881-H1891 HydrophobicContact CE1-CB 4.31Å
1882I68.7Low61.6Low127 Ų127100.1 Ų100.165%0.65148%0.48SS*.Hα-helixtrans-74.6-51.2175.9-67.8166000110.5N1878N1878-I1882 HydrophobicContact CB-CD1 4.41Å; N1878-I1882 VanDerWaalsContact O-CB 3.29Å; N1878-I1882 WeakPolarHBondContact O-CB 3.41Å; N1878-I1882 WeakPolarHBondContact O-CD1 3.36Å; N1878-I1882 WeakPolarHBondContact O-CG1 3.26Å; N1878-I1882 PolarHBondContact O-N 3.33Å
1883N68.6Low61.7Low79 Ų79100.3 Ų100.342%0.42248%0.483SS..Hα-helixtrans-78.4-23.3-175.6-64-20.6000113Y1879Y1879-N1883 WeakPolarHBondContact CD2-ND2 3.47Å; Y1879-N1883 WeakPolarHBondContact CE2-ND2 3.19Å; Y1879-N1883 VanDerWaalsContact O-CB 3.3Å; Y1879-N1883 WeakPolarHBondContact O-CB 3.39Å; Y1879-N1883 PolarHBondContact O-N 3.08Å; Y1879-N1883 PolarHBondContact O-ND2 3.12Å
1884Y68.3Low61.9Low124 Ų12499.7 Ų99.749%0.48648%0.48SS..  trans-126.677174.1-52.1-84.1000110.1F1880 K1886 L1887 L1888F1880-Y1884 AromaticContact CD1-CD2 3.68Å; F1880-Y1884 HydrophobicContact CD1-CD2 3.68Å; F1880-Y1884 AromaticContact CD1-CE2 3.87Å; F1880-Y1884 HydrophobicContact CD1-CE2 3.87Å; F1880-Y1884 HydrophobicContact CE1-CD2 4.26Å; F1880-Y1884 HydrophobicContact CE1-CE2 4.01Å; F1880-Y1884 CarbonylContact O-C 3.51Å; F1880-Y1884 WeakPolarHBondContact O-CA 3.44Å; F1880-Y1884 VanDerWaalsContact O-CB 3.28Å; F1880-Y1884 WeakPolarHBondContact O-CB 3.31Å; F1880-Y1884 PolarHBondContact O-N 2.85Å; Y1884-K1886 PolarHBondContact O-N 2.71Å; Y1884-K1886 VanDerWaalsContact O-N 3.08Å; Y1884-L1887 HydrophobicContact CD2-CD1 4.36Å; Y1884-L1887 HydrophobicContact CG-CD1 4.22Å; Y1884-L1887 WeakPolarHBondContact O-CA 3.34Å; Y1884-L1887 WeakPolarHBondContact O-CB 3.41Å; Y1884-L1887 PolarHBondContact O-N 2.83Å; Y1884-L1888 PolarHBondContact O-N 3.5Å
1885P56Low61.8Low82 Ų8298 Ų9853%0.53247%0.471SS..Hα-helixtrans-61.2-21.6174.925-34.2000112.2L1887 L1888 K1889P1885-L1887 VanDerWaalsContact C-N 3.33Å; P1885-L1888 PolarHBondContact O-N 3Å; P1885-K1889 PolarHBondContact O-N 3.46Å
1886K66.5Low61.7Low186 Ų18699.9 Ų99.981%0.80948%0.476SS*.Hα-helixtrans-63.6-32167.1-72.8-177.4178.1176.70113Y1884 K1890Y1884-K1886 PolarHBondContact O-N 2.71Å; Y1884-K1886 VanDerWaalsContact O-N 3.08Å; K1886-K1890 WeakPolarHBondContact O-CB 3.01Å; K1886-K1890 PolarHBondContact O-N 3.49Å
1887L59Low61.6Low78 Ų78102.3 Ų102.341%0.40848%0.483SS..Hα-helixtrans-74.3-36.1172-87.9170000112.2F1880 Y1884 P1885 K1890 H1891F1880-L1887 HydrophobicContact CD1-CD1 3.95Å; Y1884-L1887 HydrophobicContact CD2-CD1 4.36Å; Y1884-L1887 HydrophobicContact CG-CD1 4.22Å; Y1884-L1887 WeakPolarHBondContact O-CA 3.34Å; Y1884-L1887 WeakPolarHBondContact O-CB 3.41Å; Y1884-L1887 PolarHBondContact O-N 2.83Å; P1885-L1887 VanDerWaalsContact C-N 3.33Å; L1887-K1890 PolarHBondContact O-N 2.99Å; L1887-H1891 WeakPolarHBondContact O-CB 3.1Å; L1887-H1891 PolarHBondContact O-N 3.43Å
1888L60.1Low61.3Low68 Ų68104.1 Ų104.136%0.35649%0.488SS..Hα-helixtrans-63.7-50.8171.1-176.963.7000110.7Y1881 Y1884 P1885 K1890 H1891 N1892Y1881-L1888 HydrophobicContact CD1-CB 3.73Å; Y1881-L1888 HydrophobicContact CD1-CD1 3.71Å; Y1881-L1888 HydrophobicContact CD1-CG 4.3Å; Y1881-L1888 HydrophobicContact CD2-CD1 4.14Å; Y1881-L1888 HydrophobicContact CE1-CB 4.45Å; Y1881-L1888 HydrophobicContact CE1-CD1 3.94Å; Y1881-L1888 HydrophobicContact CE2-CD1 4.36Å; Y1881-L1888 HydrophobicContact CG-CB 4.2Å; Y1881-L1888 HydrophobicContact CG-CD1 3.81Å; Y1881-L1888 HydrophobicContact CG-CG 4.48Å; Y1884-L1888 PolarHBondContact O-N 3.5Å; P1885-L1888 PolarHBondContact O-N 3Å; L1888-K1890 VanDerWaalsContact C-N 3.27Å; L1888-K1890 PolarHBondContact O-N 3.08Å; L1888-H1891 PolarHBondContact O-N 3.49Å; L1888-N1892 WeakPolarHBondContact O-CB 3.41Å; L1888-N1892 PolarHBondContact O-N 2.94Å; L1888-N1892 PolarHBondContact O-OD1 3.19Å
1889K60.2Low61Low163 Ų163101.7 Ų101.771%0.70948%0.475SS*.Hα-helixtrans-58.6-35.2172.6-84.3-168.3172.7-174.80112.4P1885 M1893P1885-K1889 PolarHBondContact O-N 3.46Å; K1889-M1893 VanDerWaalsContact O-CB 3.24Å; K1889-M1893 WeakPolarHBondContact O-CB 3.48Å; K1889-M1893 WeakPolarHBondContact O-CG 3.48Å; K1889-M1893 PolarHBondContact O-N 2.7Å
1890K61.7Low60.5Low130 Ų13098.5 Ų98.557%0.56547%0.467SS*.Hα-helixtrans-74-35.5176.3-168.7173.8-174.9178.80112.9K1886 L1887 L1888 M1893 I1894K1886-K1890 WeakPolarHBondContact O-CB 3.01Å; K1886-K1890 PolarHBondContact O-N 3.49Å; L1887-K1890 PolarHBondContact O-N 2.99Å; L1888-K1890 VanDerWaalsContact C-N 3.27Å; L1888-K1890 PolarHBondContact O-N 3.08Å; K1890-M1893 PolarHBondContact O-N 3.19Å; K1890-I1894 HydrophobicContact CG-CD1 4.11Å; K1890-I1894 WeakPolarHBondContact O-CB 3.29Å; K1890-I1894 WeakPolarHBondContact O-CD1 3.26Å; K1890-I1894 WeakPolarHBondContact O-CG1 3.47Å; K1890-I1894 PolarHBondContact O-N 2.97Å
1891H61.1Low60.2Low85 Ų85102.8 Ų102.839%0.39448%0.481SS..Hα-helixtrans-66.4-46.3173.7-163.493000110.1Y1881 L1887 L1888 I1894 F1895Y1881-H1891 HydrophobicContact CE1-CB 4.31Å; L1887-H1891 WeakPolarHBondContact O-CB 3.1Å; L1887-H1891 PolarHBondContact O-N 3.43Å; L1888-H1891 PolarHBondContact O-N 3.49Å; H1891-I1894 PolarHBondContact O-N 3.09Å; H1891-I1894 VanDerWaalsContact O-N 3.12Å; H1891-F1895 AromaticContact CD2-CD2 3.91Å; H1891-F1895 AromaticContact NE2-CD2 3.9Å; H1891-F1895 AromaticContact NE2-CE2 3.52Å; H1891-F1895 PolarHBondContact O-N 3.05Å
1892N61.4Low59.6Low85 Ų85102.7 Ų102.746%0.45548%0.484SS..Hα-helixtrans-63.5-41.2173.7-676.5000111L1888 I1894 F1895 M1896L1888-N1892 WeakPolarHBondContact O-CB 3.41Å; L1888-N1892 PolarHBondContact O-N 2.94Å; L1888-N1892 PolarHBondContact O-OD1 3.19Å; N1892-I1894 VanDerWaalsContact C-N 3.32Å; N1892-I1894 PolarHBondContact O-N 2.76Å; N1892-F1895 CarbonylContact O-C 3.51Å; N1892-F1895 WeakPolarHBondContact O-CB 3.16Å; N1892-F1895 PolarHBondContact O-N 3.46Å; N1892-M1896 VanDerWaalsContact O-CG 3.3Å; N1892-M1896 WeakPolarHBondContact O-CG 3.43Å; N1892-M1896 PolarHBondContact O-N 3.2Å
1893M60.2Low58.6Low122 Ų122101.6 Ų101.660%0.60147%0.474SS*.Hα-helixtrans-64.4-29.5171.5-86.8-173.1167.900113.7K1889 K1890 K1897K1889-M1893 VanDerWaalsContact O-CB 3.24Å; K1889-M1893 WeakPolarHBondContact O-CB 3.48Å; K1889-M1893 WeakPolarHBondContact O-CG 3.48Å; K1889-M1893 PolarHBondContact O-N 2.7Å; K1890-M1893 PolarHBondContact O-N 3.19Å; M1893-K1897 WeakPolarHBondContact O-CB 3.27Å; M1893-K1897 VanDerWaalsContact O-CG 3.25Å; M1893-K1897 WeakPolarHBondContact O-CG 3.35Å; M1893-K1897 PolarHBondContact O-N 2.89Å
1894I62.8Low57.7Low90 Ų90100.3 Ų100.346%0.46247%0.471SS..Hα-helixtrans-75.4-31.4174.4-73.3163000110.5K1890 H1891 N1892 K1898K1890-I1894 HydrophobicContact CG-CD1 4.11Å; K1890-I1894 WeakPolarHBondContact O-CB 3.29Å; K1890-I1894 WeakPolarHBondContact O-CD1 3.26Å; K1890-I1894 WeakPolarHBondContact O-CG1 3.47Å; K1890-I1894 PolarHBondContact O-N 2.97Å; H1891-I1894 PolarHBondContact O-N 3.09Å; H1891-I1894 VanDerWaalsContact O-N 3.12Å; N1892-I1894 VanDerWaalsContact C-N 3.32Å; N1892-I1894 PolarHBondContact O-N 2.76Å; I1894-K1898 WeakPolarHBondContact O-CB 3.43Å; I1894-K1898 WeakPolarHBondContact O-CG 3.46Å; I1894-K1898 PolarHBondContact O-N 3.09Å; I1894-K1898 VanDerWaalsContact O-N 3.15Å
1895F56.5Low56.4Low47 Ų4799.4 Ų99.421%0.20648%0.475CS..Hα-helixtrans-69.6-48.8169.3-99.3-103.6000112.1H1891 N1892 K1898 L1899 F1972H1891-F1895 AromaticContact CD2-CD2 3.91Å; H1891-F1895 AromaticContact NE2-CD2 3.9Å; H1891-F1895 AromaticContact NE2-CE2 3.52Å; H1891-F1895 PolarHBondContact O-N 3.05Å; N1892-F1895 CarbonylContact O-C 3.51Å; N1892-F1895 WeakPolarHBondContact O-CB 3.16Å; N1892-F1895 PolarHBondContact O-N 3.46Å; F1895-K1898 WeakPolarHBondContact O-CA 3.45Å; F1895-K1898 WeakPolarHBondContact O-CB 3.47Å; F1895-K1898 PolarHBondContact O-N 2.87Å; F1895-K1898 VanDerWaalsContact O-N 3.08Å; F1895-L1899 PolarHBondContact O-N 3.37Å; F1895-F1972 HydrophobicContact CD1-CD2 4.01Å; F1895-F1972 HydrophobicContact CD1-CE2 4.26Å; F1895-F1972 HydrophobicContact CD1-CG 4.42Å; F1895-F1972 HydrophobicContact CE1-CB 3.74Å; F1895-F1972 AromaticContact CE1-CD2 3.53Å; F1895-F1972 HydrophobicContact CE1-CD2 3.53Å; F1895-F1972 HydrophobicContact CE1-CE2 4.24Å; F1895-F1972 AromaticContact CE1-CG 3.7Å; F1895-F1972 HydrophobicContact CE1-CG 3.7Å; F1895-F1972 HydrophobicContact CZ-CB 4.06Å; F1895-F1972 HydrophobicContact CZ-CG 4.44Å
1896M57.8Low55.7Low91 Ų91100.7 Ų100.745%0.44848%0.477SS..Hα-helixtrans-60.5-52.5174.6-63.4-61.7-90.600109.6N1892 K1898 L1899 D1900N1892-M1896 VanDerWaalsContact O-CG 3.3Å; N1892-M1896 WeakPolarHBondContact O-CG 3.43Å; N1892-M1896 PolarHBondContact O-N 3.2Å; M1896-K1898 CarbonylContact O-C 3.46Å; M1896-K1898 PolarHBondContact O-N 3.45Å; M1896-L1899 CarbonylContact O-C 3.57Å; M1896-L1899 WeakPolarHBondContact O-CA 3.33Å; M1896-L1899 WeakPolarHBondContact O-CB 3.49Å; M1896-L1899 PolarHBondContact O-N 3.43Å; M1896-L1899 HydrophobicContact SD-CD1 4.17Å; M1896-D1900 WeakPolarHBondContact O-CB 3.16Å; M1896-D1900 PolarHBondContact O-N 2.89Å; M1896-D1900 VanDerWaalsContact O-OD2 3.06Å
1897K56.8Low54.3Low136 Ų13695 Ų9559%0.59146%0.456SS*.Hα-helixtrans-60.6-13.9174.3-71.9-172.1176.3-164.90115.1M1893 D1900 R1901M1893-K1897 WeakPolarHBondContact O-CB 3.27Å; M1893-K1897 VanDerWaalsContact O-CG 3.25Å; M1893-K1897 WeakPolarHBondContact O-CG 3.35Å; M1893-K1897 PolarHBondContact O-N 2.89Å; K1897-D1900 WeakPolarHBondContact CA-OD2 3.37Å; K1897-D1900 PolarHBondContact N-OD2 3.48Å; K1897-R1901 VanDerWaalsContact O-CB 3.28Å; K1897-R1901 WeakPolarHBondContact O-CB 3.2Å; K1897-R1901 WeakPolarHBondContact O-CD 3.27Å; K1897-R1901 WeakPolarHBondContact O-CG 3.37Å; K1897-R1901 PolarHBondContact O-N 3.42Å
1898K53.7Low53.4Low109 Ų10996.9 Ų96.947%0.47447%0.466SS..Hα-helixtrans-83.7-42166.3-84.9-179.3172.7-1720111.9I1894 F1895 M1896 I1902I1894-K1898 WeakPolarHBondContact O-CB 3.43Å; I1894-K1898 WeakPolarHBondContact O-CG 3.46Å; I1894-K1898 PolarHBondContact O-N 3.09Å; I1894-K1898 VanDerWaalsContact O-N 3.15Å; F1895-K1898 WeakPolarHBondContact O-CA 3.45Å; F1895-K1898 WeakPolarHBondContact O-CB 3.47Å; F1895-K1898 PolarHBondContact O-N 2.87Å; F1895-K1898 VanDerWaalsContact O-N 3.08Å; M1896-K1898 CarbonylContact O-C 3.46Å; M1896-K1898 PolarHBondContact O-N 3.45Å; K1898-I1902 WeakPolarHBondContact O-CD1 3.35Å; K1898-I1902 VanDerWaalsContact O-CG1 3.24Å; K1898-I1902 WeakPolarHBondContact O-CG1 3.49Å; K1898-I1902 PolarHBondContact O-N 3.34Å; K1898-I1902 VanDerWaalsContact O-N 3.07Å
1899L53.9Low52.3Low35 Ų3598.9 Ų98.918%0.18348%0.477CS..Hα-helixtrans-61-46.8169.9-79.9153.2000111.5F1895 M1896 R1901 I1902 K1903 F1972 M2019F1895-L1899 PolarHBondContact O-N 3.37Å; M1896-L1899 CarbonylContact O-C 3.57Å; M1896-L1899 WeakPolarHBondContact O-CA 3.33Å; M1896-L1899 WeakPolarHBondContact O-CB 3.49Å; M1896-L1899 PolarHBondContact O-N 3.43Å; M1896-L1899 HydrophobicContact SD-CD1 4.17Å; L1899-R1901 PolarHBondContact O-N 3.11Å; L1899-I1902 CarbonylContact O-C 3.57Å; L1899-I1902 WeakPolarHBondContact O-CA 3.4Å; L1899-I1902 WeakPolarHBondContact O-CB 3.38Å; L1899-I1902 PolarHBondContact O-N 3.46Å; L1899-K1903 PolarHBondContact O-N 3.09Å; L1899-F1972 HydrophobicContact CD2-CZ 4.32Å; L1899-F1972 HydrophobicContact CG-CZ 4.28Å; L1899-M2019 HydrophobicContact CD1-SD 4.34Å
1900D54.7Low51.2Low76 Ų7697.8 Ų97.841%0.40648%0.479SS..Hα-helixtrans-63.4-39.2178.2-50-30.3000111.3M1896 K1897 I1902 K1903 S1904M1896-D1900 WeakPolarHBondContact O-CB 3.16Å; M1896-D1900 PolarHBondContact O-N 2.89Å; M1896-D1900 VanDerWaalsContact O-OD2 3.06Å; K1897-D1900 WeakPolarHBondContact CA-OD2 3.37Å; K1897-D1900 PolarHBondContact N-OD2 3.48Å; D1900-I1902 VanDerWaalsContact C-N 3.29Å; D1900-I1902 PolarHBondContact O-N 2.83Å; D1900-K1903 PolarHBondContact O-N 3.34Å; D1900-S1904 WeakPolarHBondContact O-CB 3.2Å; D1900-S1904 PolarHBondContact O-N 2.86Å; D1900-S1904 PolarHBondContact O-OG 2.68Å
1901R53.3Low49.7Very low185 Ų18598 Ų9870%0.69849%0.486SS*.Hα-helixtrans-66.8-28.2171.6-84177.8173-167.6-3.4113.2K1897 L1899 S1904 N1905K1897-R1901 VanDerWaalsContact O-CB 3.28Å; K1897-R1901 WeakPolarHBondContact O-CB 3.2Å; K1897-R1901 WeakPolarHBondContact O-CD 3.27Å; K1897-R1901 WeakPolarHBondContact O-CG 3.37Å; K1897-R1901 PolarHBondContact O-N 3.42Å; L1899-R1901 PolarHBondContact O-N 3.11Å; R1901-S1904 WeakPolarHBondContact CA-OG 3.17Å; R1901-S1904 PolarHBondContact O-OG 3Å; R1901-N1905 WeakPolarHBondContact O-CB 3.31Å; R1901-N1905 PolarHBondContact O-N 2.95Å; R1901-N1905 VanDerWaalsContact O-N 3.08Å; R1901-N1905 PolarHBondContact O-OD1 2.78Å
1902I49.8Very low48.2Very low59 Ų59101.3 Ų101.330%0.30351%0.507SS..Hα-helixtrans-76.9-40.7173.8-70.1164.1000109.9K1898 L1899 D1900 N1906K1898-I1902 WeakPolarHBondContact O-CD1 3.35Å; K1898-I1902 VanDerWaalsContact O-CG1 3.24Å; K1898-I1902 WeakPolarHBondContact O-CG1 3.49Å; K1898-I1902 PolarHBondContact O-N 3.34Å; K1898-I1902 VanDerWaalsContact O-N 3.07Å; L1899-I1902 CarbonylContact O-C 3.57Å; L1899-I1902 WeakPolarHBondContact O-CA 3.4Å; L1899-I1902 WeakPolarHBondContact O-CB 3.38Å; L1899-I1902 PolarHBondContact O-N 3.46Å; D1900-I1902 VanDerWaalsContact C-N 3.29Å; D1900-I1902 PolarHBondContact O-N 2.83Å; I1902-N1906 PolarHBondContact O-N 2.03Å; I1902-N1906 VanDerWaalsContact O-N 3.08Å
1903K49.1Very low46.6Very low104 Ų104104.6 Ų104.645%0.45253%0.525SS..Hα-helixtrans-57.3-50.4168.4-82.7-164.4167.8-164.10111.1L1899 D1900 N1905 N1906 N1907L1899-K1903 PolarHBondContact O-N 3.09Å; D1900-K1903 PolarHBondContact O-N 3.34Å; K1903-N1905 PolarHBondContact O-N 3.25Å; K1903-N1906 PolarHBondContact O-N 2.72Å; K1903-N1907 PolarHBondContact O-N 2.68Å; K1903-N1907 PolarHBondContact O-OD1 2.9Å
1904S47.7Very low45.1Very low51 Ų51105.7 Ų105.736%0.35753%0.533SS..Hα-helixtrans-65.1-38.4-177.969.70000113.2D1900 R1901 N1906 N1907 N1908D1900-S1904 WeakPolarHBondContact O-CB 3.2Å; D1900-S1904 PolarHBondContact O-N 2.86Å; D1900-S1904 PolarHBondContact O-OG 2.68Å; R1901-S1904 WeakPolarHBondContact CA-OG 3.17Å; R1901-S1904 PolarHBondContact O-OG 3Å; S1904-N1906 VanDerWaalsContact C-N 3.34Å; S1904-N1907 PolarHBondContact O-N 3.46Å; S1904-N1908 WeakPolarHBondContact O-CB 3.13Å; S1904-N1908 VanDerWaalsContact O-CG 3.26Å; S1904-N1908 PolarHBondContact O-N 3.32Å; S1904-N1908 PolarHBondContact O-OD1 2.94Å
1905N42.5Very low43.5Very low105 Ų105108.5 Ų108.556%0.56155%0.549SS*.Hα-helixtrans-70.2-29.5176.1-84.644.2000112.8R1901 K1903R1901-N1905 WeakPolarHBondContact O-CB 3.31Å; R1901-N1905 PolarHBondContact O-N 2.95Å; R1901-N1905 VanDerWaalsContact O-N 3.08Å; R1901-N1905 PolarHBondContact O-OD1 2.78Å; K1903-N1905 PolarHBondContact O-N 3.25Å
1906N41.2Very low42.2Very low109 Ų109118.4 Ų118.458%0.58359%0.585SS**Hα-helixtrans-69.1-48170.6-79.414.5000110.9I1902 K1903 S1904 N1908 N1909I1902-N1906 PolarHBondContact O-N 2.03Å; I1902-N1906 VanDerWaalsContact O-N 3.08Å; K1903-N1906 PolarHBondContact O-N 2.72Å; S1904-N1906 VanDerWaalsContact C-N 3.34Å; N1906-N1908 VanDerWaalsContact C-N 3.35Å; N1906-N1908 PolarHBondContact O-N 2.86Å; N1906-N1909 PolarHBondContact O-N 2.86Å
1907N37.6Very low40.6Very low67 Ų67125.4 Ų125.436%0.35861%0.606SS.*Hα-helixtrans-67.2-32.9-177.4-74.140000112.9K1903 S1904 N1909 N1910 N1934K1903-N1907 PolarHBondContact O-N 2.68Å; K1903-N1907 PolarHBondContact O-OD1 2.9Å; S1904-N1907 PolarHBondContact O-N 3.46Å; N1907-N1909 PolarHBondContact O-N 3.27Å; N1907-N1910 PolarHBondContact O-N 3.13Å; N1907-N1934 PolarHBondContact ND2-OD1 3.47Å
1908N40.1Very low39.1Very low117 Ų117124 Ų12463%0.62661%0.613SS**THydrogen-bonded Turntrans-64.5-19.4176.5-79.67.1000114S1904 N1906S1904-N1908 WeakPolarHBondContact O-CB 3.13Å; S1904-N1908 VanDerWaalsContact O-CG 3.26Å; S1904-N1908 PolarHBondContact O-N 3.32Å; S1904-N1908 PolarHBondContact O-OD1 2.94Å; N1906-N1908 VanDerWaalsContact C-N 3.35Å; N1906-N1908 PolarHBondContact O-N 2.86Å
1909N36.8Very low37.8Very low110 Ų110125.7 Ų125.759%0.58863%0.628SS**THydrogen-bonded Turntrans-82.1-11.8180-79.85.3000114.1N1906 N1907N1906-N1909 PolarHBondContact O-N 2.86Å; N1907-N1909 PolarHBondContact O-N 3.27Å
1910N37.3Very low36.5Very low140 Ų140130.9 Ų130.975%0.74965%0.654SS**THydrogen-bonded Turntrans-99.8-11.8-179-75.37.5000114N1907 N1912N1907-N1910 PolarHBondContact O-N 3.13Å; N1910-N1912 PolarHBondContact O-N 3.01Å
1911N29Very low35.1Very low134 Ų134133.9 Ų133.972%0.71767%0.67SS**  trans-96.171.8-174.4-76.4-2.1000112.5
1912N28.9Very low33.8Very low156 Ų156134.4 Ų134.483%0.83468%0.678SS**  trans-140.561.7167.7-108-14.1000110.8N1910N1910-N1912 PolarHBondContact O-N 3.01Å
1913N28.8Very low32.5Very low153 Ų153136.3 Ų136.382%0.81870%0.696SS**SBendtrans-165.597158.8-96.8-33.2000111.7
1914N29.4Very low31.6Very low145 Ų145138.8 Ų138.878%0.77571%0.713SS**  trans53100.6149.5-55.3-13.3000121.8
1915D27.6Very low30.4Very low150 Ų150143.3 Ų143.380%0.80273%0.733SS**  trans28.2120130-64.5-30.5000122
1916R29.2Very low29.5Very low254 Ų254145.1 Ų145.196%0.95874%0.743SS**  -166.8176.1105.5-98.9161.5-169.4-159.41.9112.1
1917R24.4Very low28.7Very low238 Ų238146.9 Ų146.990%0.89875%0.752SS**  trans-127.8172.8-161.4-85.5-178.3170.2165.9-2.9114.2
1918S25.9Very low28.2Very low106 Ų106152 Ų15274%0.74178%0.78SS**  trans78.7146.3162.772.50000117.3
1919D27Very low27.5Very low146 Ų146152.9 Ų152.978%0.78178%0.784SS**  cis-172.6174.4-22.9-108.1-62.4000107.3
1920I26.4Very low26.9Very low143 Ų143155.9 Ų155.973%0.73379%0.794SS**  cis-151.3-179.19.8-145.9164.4000111.6
1921N26Very low26.7Very low139 Ų139155.7 Ų155.774%0.74379%0.793SS**  trans-64148.8179.6-47.2-82.8000117.5
1922K24.4Very low26.7Very low197 Ų197157 Ų15786%0.85780%0.795SS**  -176.7142.5112.3-106.5176.8-179.8178.50118.1
1923S23.6Very low26.9Very low98 Ų98155.5 Ų155.569%0.68579%0.787SS**  trans48.7104.3148.558.80000123.3
1924I29Very low27.1Very low156 Ų156152.9 Ų152.980%0.877%0.773SS**  34.7111.4119-51168.5000117.9
1925N23.2Very low27.6Very low147 Ų147149.6 Ų149.679%0.78676%0.755SS**  -163.8167.4119.9-111.912.2000111.6
1926D24.1Very low28.4Very low142 Ų142150.8 Ų150.876%0.75976%0.762SS**  trans-46.6126.1-168.9-49.5-56.3000117
1927N24.2Very low29.8Very low147 Ų147142.2 Ų142.279%0.78674%0.741SS**  trans-172121.2147.6-100.4-47.5000111N1929N1927-N1929 PolarHBondContact O-N 3.39Å
1928D26.3Very low31.8Very low175 Ų175132.8 Ų132.894%0.93671%0.707SS**  trans-79.753.9179.3-84.4-37.9000112.8
1929N25.6Very low34.4Very low134 Ų134128.8 Ų128.872%0.71768%0.677SS**  trans-132.468.3-177.9-83.6-25.8000112.6N1927N1927-N1929 PolarHBondContact O-N 3.39Å
1930H25.6Very low37Very low173 Ų173128.3 Ų128.380%0.80167%0.67SS**  trans-156.2100.7162.1-88.1-69.2000112.1
1931D31.3Very low39.8Very low136 Ų136123.3 Ų123.373%0.72765%0.645SS**  trans-148.424.5160.5-158.825.5000111.4
1932E30.6Very low42.7Very low161 Ų161117 Ų11775%0.75261%0.612SS**  trans-89.4-31.3-175.1-62.4-166.7139.600113.6N1934E1932-N1934 PolarHBondContact O-N 3.32Å
1933D31.9Very low45.4Very low126 Ų126111.3 Ų111.367%0.67459%0.588SS**SBendtrans-73.390.5-172-65.9-61.3000113.4
1934N33.8Very low48.3Very low97 Ų97109.4 Ų109.452%0.51958%0.578SS.*SBendtrans156.468.2139.5-91.1-92.1000109.9N1907 E1932N1907-N1934 PolarHBondContact ND2-OD1 3.47Å; E1932-N1934 PolarHBondContact O-N 3.32Å
1935N38.6Very low51Low76 Ų76102.4 Ų102.441%0.40654%0.542SS..  trans-150.749.2179.8-124.29.3000115.2S1937 E1938N1935-S1937 PolarHBondContact O-N 2.82Å; N1935-E1938 PolarHBondContact ND2-OE2 3.49Å; N1935-E1938 PolarHBondContact O-N 3.09Å
1936N44.7Very low53.9Low176 Ų17697.1 Ų97.194%0.94151%0.511SS*.THydrogen-bonded Turntrans-67.141.5177.5-57.623.7000114.2
1937S59.2Low56.7Low73 Ų7394.9 Ų94.951%0.5150%0.498SS..THydrogen-bonded Turntrans-159.610.6175.773.90000114.8N1935 K2175N1935-S1937 PolarHBondContact O-N 2.82Å; S1937-K2175 PolarHBondContact O-NZ 2.95Å; S1937-K2175 PolarHBondContact OG-NZ 3.36Å
1938E66.4Low59.6Low41 Ų4191.7 Ų91.719%0.19248%0.475CS..  trans-92.1131.2170.3-68.1-164.3134.900110.3N1935 R1946 Q2173N1935-E1938 PolarHBondContact ND2-OE2 3.49Å; N1935-E1938 PolarHBondContact O-N 3.09Å; E1938-R1946 IonicContact OE1-CZ 2.94Å; E1938-R1946 IonicContact OE1-NH1 3.35Å; E1938-R1946 IonicContact OE1-NH2 3.65Å; E1938-R1946 PolarHBondContact OE1-NH2 3.49Å; E1938-R1946 IonicContact OE2-CZ 2.67Å; E1938-R1946 IonicContact OE2-NH1 3.74Å; E1938-R1946 PolarHBondContact OE2-NH1 3.2Å; E1938-R1946 IonicContact OE2-NH2 3.06Å; E1938-R1946 PolarHBondContact OE2-NH2 2.94Å; E1938-R1946 VanDerWaalsContact OE2-NH2 3.08Å; E1938-Q2173 PolarHBondContact OE1-NE2 3Å
1939D80.3Confident62.4Low22 Ų2283.5 Ų83.512%0.11843%0.432CS..  trans-72.3144.2-177.918039.9000111.6D1941 V1942 H1943 K2175 C2176 R2186D1939-D1941 VanDerWaalsContact C-N 3.3Å; D1939-D1941 PolarHBondContact O-N 2.93Å; D1939-V1942 HydrophobicContact CB-CG2 4.13Å; D1939-V1942 WeakPolarHBondContact O-CB 3.15Å; D1939-V1942 PolarHBondContact O-N 3.1Å; D1939-V1942 VanDerWaalsContact O-N 3.11Å; D1939-H1943 PolarHBondContact O-N 2.86Å; D1939-K2175 WeakPolarHBondContact CB-O 3.3Å; D1939-C2176 VanDerWaalsContact OD2-CA 3.28Å; D1939-C2176 WeakPolarHBondContact OD2-CA 3.4Å; D1939-C2176 VanDerWaalsContact OD2-CB 3.27Å; D1939-C2176 WeakPolarHBondContact OD2-CB 3.38Å; D1939-R2186 IonicContact OD1-CZ 2.78Å; D1939-R2186 IonicContact OD1-NE 3.59Å; D1939-R2186 IonicContact OD1-NH2 2.69Å
1940E82.8Confident65.1Low135 Ų13579.7 Ų79.763%0.63141%0.41SS*.Hα-helixtrans-59.5-41.8-173.2-66.1172.7140.700111.4V1942 H1943 A1944 R2186E1940-V1942 VanDerWaalsContact C-N 3.27Å; E1940-V1942 PolarHBondContact O-N 3.3Å; E1940-H1943 PolarHBondContact O-N 3.03Å; E1940-A1944 WeakPolarHBondContact O-CB 3.41Å; E1940-A1944 PolarHBondContact O-N 3.43Å; E1940-R2186 IonicContact OE2-CZ 2.79Å; E1940-R2186 IonicContact OE2-NH1 3.84Å; E1940-R2186 IonicContact OE2-NH2 2.63Å; E1940-R2186 PolarHBondContact OE2-NH2 3.48Å
1941D85.1Confident67.7Low39 Ų3978.1 Ų78.121%0.20940%0.401CS..Hα-helixtrans-63.6-35-178.9-56.6-25.5000111.3D1939 E1945 F2177 H2182 R2186D1939-D1941 VanDerWaalsContact C-N 3.3Å; D1939-D1941 PolarHBondContact O-N 2.93Å; D1941-E1945 VanDerWaalsContact O-CB 3.29Å; D1941-E1945 WeakPolarHBondContact O-CB 3.5Å; D1941-E1945 PolarHBondContact O-N 2.92Å; D1941-F2177 HydrophobicContact CB-CB 4.48Å; D1941-F2177 WeakPolarHBondContact CB-O 3.2Å; D1941-H2182 IonicContact OD2-CD2 3.77Å; D1941-H2182 IonicContact OD2-CE1 3.08Å; D1941-H2182 IonicContact OD2-NE2 3.71Å; D1941-H2182 PolarHBondContact OD2-NE2 3.21Å; D1941-R2186 IonicContact OD1-NH1 2.68Å; D1941-R2186 PolarHBondContact OD1-NH1 3.36Å; D1941-R2186 IonicContact OD2-CZ 3.28Å; D1941-R2186 IonicContact OD2-NH1 3.27Å; D1941-R2186 PolarHBondContact OD2-NH1 3.19Å
1942V85.1Confident69.9Low7 Ų772.3 Ų72.34%0.04237%0.372CS..Hα-helixtrans-74-34.1175.2-176.20000111.5D1939 E1940 R1946 L2174 C2176 F2177D1939-V1942 HydrophobicContact CB-CG2 4.13Å; D1939-V1942 WeakPolarHBondContact O-CB 3.15Å; D1939-V1942 PolarHBondContact O-N 3.1Å; D1939-V1942 VanDerWaalsContact O-N 3.11Å; E1940-V1942 VanDerWaalsContact C-N 3.27Å; E1940-V1942 PolarHBondContact O-N 3.3Å; V1942-R1946 VanDerWaalsContact O-CB 3.26Å; V1942-R1946 WeakPolarHBondContact O-CB 3Å; V1942-R1946 PolarHBondContact O-N 3.12Å; V1942-R1946 VanDerWaalsContact O-N 3.14Å; V1942-L2174 HydrophobicContact CG1-CB 4.31Å; V1942-L2174 HydrophobicContact CG1-CD2 4.15Å; V1942-L2174 HydrophobicContact CG2-CD2 3.7Å; V1942-C2176 VanDerWaalsContact CG2-CA 3.47Å; V1942-F2177 HydrophobicContact CG2-CB 3.99Å
1943H82.9Confident72.3Confident77 Ų7767.5 Ų67.536%0.35635%0.351SS..Hα-helixtrans-71.4-44176.2-166.3-12.2000111.4D1939 E1940 R1946 L1947D1939-H1943 PolarHBondContact O-N 2.86Å; E1940-H1943 PolarHBondContact O-N 3.03Å; H1943-R1946 WeakPolarHBondContact O-CB 3.01Å; H1943-R1946 PolarHBondContact O-N 3.23Å; H1943-L1947 WeakPolarHBondContact O-CG 3.1Å; H1943-L1947 PolarHBondContact O-N 3.26Å
1944A83.9Confident74.4Confident58 Ų5870.4 Ų70.448%0.47936%0.358SS..Hα-helixtrans-61.7-47.617600000111.3E1940 R1946 L1947 R1948E1940-A1944 WeakPolarHBondContact O-CB 3.41Å; E1940-A1944 PolarHBondContact O-N 3.43Å; A1944-R1946 VanDerWaalsContact C-N 3.3Å; A1944-R1946 PolarHBondContact O-N 3.13Å; A1944-L1947 PolarHBondContact O-N 2.96Å; A1944-R1948 WeakPolarHBondContact O-CB 3.34Å; A1944-R1948 PolarHBondContact O-N 2.89Å
1945E85Confident76.4Confident8 Ų870.9 Ų70.94%0.03736%0.357CS..Hα-helixtrans-58.3-42175.717260.5171.400112D1941 R1948 I1949 A1987 F2177D1941-E1945 VanDerWaalsContact O-CB 3.29Å; D1941-E1945 WeakPolarHBondContact O-CB 3.5Å; D1941-E1945 PolarHBondContact O-N 2.92Å; E1945-R1948 VanDerWaalsContact CD-NH2 3.25Å; E1945-R1948 WeakPolarHBondContact O-CB 3.47Å; E1945-R1948 PolarHBondContact O-N 3.06Å; E1945-R1948 IonicContact OE1-NH2 3.21Å; E1945-R1948 PolarHBondContact OE1-NH2 2.98Å; E1945-R1948 IonicContact OE2-CZ 3.76Å; E1945-R1948 IonicContact OE2-NE 3.48Å; E1945-R1948 PolarHBondContact OE2-NE 3.14Å; E1945-R1948 IonicContact OE2-NH2 2.61Å; E1945-R1948 PolarHBondContact OE2-NH2 2.79Å; E1945-I1949 HydrophobicContact CG-CD1 4.02Å; E1945-I1949 WeakPolarHBondContact O-CD1 3.42Å; E1945-I1949 VanDerWaalsContact O-CG1 3.31Å; E1945-I1949 WeakPolarHBondContact O-CG1 3.46Å; E1945-I1949 PolarHBondContact O-N 3Å; E1945-I1949 VanDerWaalsContact O-N 3.13Å; E1945-I1949 WeakPolarHBondContact OE1-CD1 3.27Å; E1945-A1987 PolarHBondContact OE1-N 3.44Å; E1945-A1987 VanDerWaalsContact OE1-N 3.1Å; E1945-F2177 HydrophobicContact CB-CD1 4.12Å; E1945-F2177 HydrophobicContact CB-CE1 4.14Å; E1945-F2177 HydrophobicContact CG-CD1 4.31Å; E1945-F2177 HydrophobicContact CG-CE1 4.04Å; E1945-F2177 HydrophobicContact CG-CE2 4.29Å; E1945-F2177 HydrophobicContact CG-CZ 4.02Å
1946R84.6Confident77.9Confident36 Ų3669.5 Ų69.514%0.13636%0.361CS..Hα-helixtrans-64.1-42.7176.5-175.9-169.2-55169.8-3112.5E1938 V1942 H1943 A1944 I1949 M1950 T1985E1938-R1946 IonicContact OE1-CZ 2.94Å; E1938-R1946 IonicContact OE1-NH1 3.35Å; E1938-R1946 IonicContact OE1-NH2 3.65Å; E1938-R1946 PolarHBondContact OE1-NH2 3.49Å; E1938-R1946 IonicContact OE2-CZ 2.67Å; E1938-R1946 IonicContact OE2-NH1 3.74Å; E1938-R1946 PolarHBondContact OE2-NH1 3.2Å; E1938-R1946 IonicContact OE2-NH2 3.06Å; E1938-R1946 PolarHBondContact OE2-NH2 2.94Å; E1938-R1946 VanDerWaalsContact OE2-NH2 3.08Å; V1942-R1946 VanDerWaalsContact O-CB 3.26Å; V1942-R1946 WeakPolarHBondContact O-CB 3Å; V1942-R1946 PolarHBondContact O-N 3.12Å; V1942-R1946 VanDerWaalsContact O-N 3.14Å; H1943-R1946 WeakPolarHBondContact O-CB 3.01Å; H1943-R1946 PolarHBondContact O-N 3.23Å; A1944-R1946 VanDerWaalsContact C-N 3.3Å; A1944-R1946 PolarHBondContact O-N 3.13Å; R1946-I1949 PolarHBondContact O-N 2.87Å; R1946-M1950 HydrophobicContact CG-CE 3.76Å; R1946-M1950 HydrophobicContact CG-SD 4.34Å; R1946-M1950 WeakPolarHBondContact O-CB 3.4Å; R1946-M1950 WeakPolarHBondContact O-CG 3.35Å; R1946-M1950 PolarHBondContact O-N 3.12Å; R1946-T1985 HydrophobicContact CB-CG2 4.4Å; R1946-T1985 HydrophobicContact CG-CG2 4.11Å
1947L83.8Confident79.1Confident95 Ų9567.9 Ų67.950%0.49734%0.343SS..Hα-helixtrans-66-43.4177.2-73.9171.2000111.4H1943 A1944 I1949 M1950 K1951H1943-L1947 WeakPolarHBondContact O-CG 3.1Å; H1943-L1947 PolarHBondContact O-N 3.26Å; A1944-L1947 PolarHBondContact O-N 2.96Å; L1947-I1949 VanDerWaalsContact C-N 3.31Å; L1947-I1949 PolarHBondContact O-N 2.78Å; L1947-M1950 PolarHBondContact O-N 3.35Å; L1947-K1951 PolarHBondContact O-N 3.4Å
1948R84.5Confident79.6Confident80 Ų8064.9 Ų64.930%0.30232%0.321SS..Hα-helixtrans-51.8-49.1174.2-175.2177.875.6139.63.9111.3A1944 E1945 A1952A1944-R1948 WeakPolarHBondContact O-CB 3.34Å; A1944-R1948 PolarHBondContact O-N 2.89Å; E1945-R1948 VanDerWaalsContact CD-NH2 3.25Å; E1945-R1948 WeakPolarHBondContact O-CB 3.47Å; E1945-R1948 PolarHBondContact O-N 3.06Å; E1945-R1948 IonicContact OE1-NH2 3.21Å; E1945-R1948 PolarHBondContact OE1-NH2 2.98Å; E1945-R1948 IonicContact OE2-CZ 3.76Å; E1945-R1948 IonicContact OE2-NE 3.48Å; E1945-R1948 PolarHBondContact OE2-NE 3.14Å; E1945-R1948 IonicContact OE2-NH2 2.61Å; E1945-R1948 PolarHBondContact OE2-NH2 2.79Å; R1948-A1952 PolarHBondContact O-N 3.43Å
1949I85.3Confident79.5Confident4 Ų468.3 Ų68.32%0.02134%0.34CS..Hα-helixtrans-70.8-39.7-179.7-63.3159.8000111.9E1945 R1946 L1947 A1952 D1953 I1967 T1985 A1987E1945-I1949 HydrophobicContact CG-CD1 4.02Å; E1945-I1949 WeakPolarHBondContact O-CD1 3.42Å; E1945-I1949 VanDerWaalsContact O-CG1 3.31Å; E1945-I1949 WeakPolarHBondContact O-CG1 3.46Å; E1945-I1949 PolarHBondContact O-N 3Å; E1945-I1949 VanDerWaalsContact O-N 3.13Å; E1945-I1949 WeakPolarHBondContact OE1-CD1 3.27Å; R1946-I1949 PolarHBondContact O-N 2.87Å; L1947-I1949 VanDerWaalsContact C-N 3.31Å; L1947-I1949 PolarHBondContact O-N 2.78Å; I1949-A1952 PolarHBondContact O-N 2.84Å; I1949-D1953 PolarHBondContact O-N 3.1Å; I1949-I1967 HydrophobicContact CG2-CD1 4.17Å; I1949-I1967 HydrophobicContact CG2-CG1 3.95Å; I1949-T1985 HydrophobicContact CB-CG2 4.25Å; I1949-T1985 HydrophobicContact CD1-CG2 3.81Å; I1949-T1985 HydrophobicContact CG2-CG2 4.21Å; I1949-A1987 HydrophobicContact CD1-CB 3.85Å; I1949-A1987 HydrophobicContact CG1-CB 3.82Å
1950M82.2Confident78.8Confident54 Ų5471.6 Ų71.627%0.26637%0.365SS..Hα-helixtrans-71.6-27.8-179.8-72.6-172-17200113.5R1946 L1947 K1954 N1968R1946-M1950 HydrophobicContact CG-CE 3.76Å; R1946-M1950 HydrophobicContact CG-SD 4.34Å; R1946-M1950 WeakPolarHBondContact O-CB 3.4Å; R1946-M1950 WeakPolarHBondContact O-CG 3.35Å; R1946-M1950 PolarHBondContact O-N 3.12Å; L1947-M1950 PolarHBondContact O-N 3.35Å; M1950-K1954 WeakPolarHBondContact O-CB 3.28Å; M1950-K1954 VanDerWaalsContact O-CG 3.29Å; M1950-K1954 WeakPolarHBondContact O-CG 3.45Å; M1950-K1954 PolarHBondContact O-N 2.98Å; M1950-N1968 VanDerWaalsContact CE-ND2 3.27Å; M1950-N1968 WeakPolarHBondContact CE-ND2 3.39Å; M1950-N1968 WeakPolarHBondContact CE-OD1 3.29Å
1951K79.6Confident78.2Confident139 Ų13970 Ų7060%0.60436%0.36SS*.Hα-helixtrans-62.9-54.6163.7-85.1-168.5172-171.60110.6L1947 D1953 K1954 E1955L1947-K1951 PolarHBondContact O-N 3.4Å; K1951-D1953 VanDerWaalsContact C-N 3.29Å; K1951-D1953 PolarHBondContact O-N 2.91Å; K1951-K1954 PolarHBondContact O-N 3.24Å; K1951-E1955 WeakPolarHBondContact CB-OE1 3.45Å; K1951-E1955 WeakPolarHBondContact O-CB 3.33Å; K1951-E1955 WeakPolarHBondContact O-CG 3.43Å; K1951-E1955 PolarHBondContact O-N 3.01Å
1952A78.1Confident77.9Confident14 Ų1469.2 Ų69.212%0.11636%0.358CS..Hα-helixtrans-60.1-30.8-17800000114.8R1948 I1949 G1956 Y1957 L1958R1948-A1952 PolarHBondContact O-N 3.43Å; I1949-A1952 PolarHBondContact O-N 2.84Å; A1952-G1956 CarbonylContact O-C 3.59Å; A1952-G1956 PolarHBondContact O-N 2.8Å; A1952-Y1957 PolarHBondContact O-N 3.29Å; A1952-L1958 HydrophobicContact CB-CD2 4.01Å; A1952-L1958 HydrophobicContact CB-CG 4.26Å; A1952-L1958 PolarHBondContact O-N 3.38Å
1953D80.1Confident78Confident60 Ų6069 Ų6932%0.32136%0.356SS..Hα-helixtrans-74.2-39.7173.5-166.248.1000111.8I1949 K1951 L1958 I1967I1949-D1953 PolarHBondContact O-N 3.1Å; K1951-D1953 VanDerWaalsContact C-N 3.29Å; K1951-D1953 PolarHBondContact O-N 2.91Å; D1953-L1958 HydrophobicContact CB-CD1 3.78Å; D1953-L1958 HydrophobicContact CB-CG 4.45Å; D1953-L1958 VanDerWaalsContact OD1-CD1 3.25Å; D1953-L1958 WeakPolarHBondContact OD1-CD1 3.4Å; D1953-I1967 HydrophobicContact CB-CD1 3.82Å; D1953-I1967 VanDerWaalsContact CG-CD1 3.41Å
1954K76.2Confident78.3Confident188 Ų18865.3 Ų65.382%0.81734%0.339SS*.Hα-helixtrans-66.8-38.6174.3-77178.1177.2-1750112.6M1950 K1951M1950-K1954 WeakPolarHBondContact O-CB 3.28Å; M1950-K1954 VanDerWaalsContact O-CG 3.29Å; M1950-K1954 WeakPolarHBondContact O-CG 3.45Å; M1950-K1954 PolarHBondContact O-N 2.98Å; K1951-K1954 PolarHBondContact O-N 3.24Å
1955E77Confident78.6Confident107 Ų10762.7 Ų62.750%0.532%0.317SS..Hα-helixtrans-86.7-14.3-177.2-65.9157.9-159.600112.7K1951 Y1957K1951-E1955 WeakPolarHBondContact CB-OE1 3.45Å; K1951-E1955 WeakPolarHBondContact O-CB 3.33Å; K1951-E1955 WeakPolarHBondContact O-CG 3.43Å; K1951-E1955 PolarHBondContact O-N 3.01Å; E1955-Y1957 VanDerWaalsContact C-N 3.34Å; E1955-Y1957 HydrophobicContact CB-CD2 3.62Å; E1955-Y1957 HydrophobicContact CB-CE2 3.91Å; E1955-Y1957 PolarHBondContact O-N 3.02Å
1956G68.9Low78.8Confident47 Ų4762.3 Ų62.349%0.48532%0.316SS..SBendtrans83.4-2176.600000115.8A1952 L1958A1952-G1956 CarbonylContact O-C 3.59Å; A1952-G1956 PolarHBondContact O-N 2.8Å; G1956-L1958 PolarHBondContact O-N 3Å
1957Y70.2Confident79.1Confident142 Ų14261 Ų6156%0.55731%0.311SS*.THydrogen-bonded Turntrans-73-1.4-177.6-63.4-60.1000115.3A1952 E1955 N1959 S1960 L1961A1952-Y1957 PolarHBondContact O-N 3.29Å; E1955-Y1957 VanDerWaalsContact C-N 3.34Å; E1955-Y1957 HydrophobicContact CB-CD2 3.62Å; E1955-Y1957 HydrophobicContact CB-CE2 3.91Å; E1955-Y1957 PolarHBondContact O-N 3.02Å; Y1957-N1959 PolarHBondContact O-N 2.91Å; Y1957-S1960 PolarHBondContact O-N 3.28Å; Y1957-S1960 PolarHBondContact O-OG 2.95Å; Y1957-S1960 VanDerWaalsContact O-OG 3.1Å; Y1957-L1961 PolarHBondContact O-N 2.93Å
1958L70.5Confident79.3Confident10 Ų1059.3 Ų59.35%0.05230%0.303CS..Hα-helixtrans-49.1-32.8175.3-80.9179.1000114.4A1952 D1953 G1956 S1960 C1962 A1965 I1967 Y2023A1952-L1958 HydrophobicContact CB-CD2 4.01Å; A1952-L1958 HydrophobicContact CB-CG 4.26Å; A1952-L1958 PolarHBondContact O-N 3.38Å; D1953-L1958 HydrophobicContact CB-CD1 3.78Å; D1953-L1958 HydrophobicContact CB-CG 4.45Å; D1953-L1958 VanDerWaalsContact OD1-CD1 3.25Å; D1953-L1958 WeakPolarHBondContact OD1-CD1 3.4Å; G1956-L1958 PolarHBondContact O-N 3Å; L1958-S1960 PolarHBondContact O-N 3.04Å; L1958-C1962 PolarHBondContact O-N 3.33Å; L1958-A1965 HydrophobicContact CD1-CB 4.41Å; L1958-A1965 HydrophobicContact CD2-CB 3.71Å; L1958-I1967 HydrophobicContact CD1-CD1 3.92Å; L1958-Y2023 HydrophobicContact CD1-CD2 3.84Å; L1958-Y2023 HydrophobicContact CD1-CE2 3.82Å
1959N63.9Low79.5Confident112 Ų11255.5 Ų55.560%0.59929%0.288SS*.Hα-helixtrans-73.2-22.7-174.5-67.8-22.7000114.5Y1957 G2026Y1957-N1959 PolarHBondContact O-N 2.91Å; N1959-G2026 WeakPolarHBondContact OD1-CA 3.4Å
1960S65.4Low79.7Confident91 Ų9155.5 Ų55.564%0.63629%0.289SS*.Hα-helixtrans-100.5-32.8179.950.60000112.8Y1957 L1958Y1957-S1960 PolarHBondContact O-N 3.28Å; Y1957-S1960 PolarHBondContact O-OG 2.95Å; Y1957-S1960 VanDerWaalsContact O-OG 3.1Å; L1958-S1960 PolarHBondContact O-N 3.04Å
1961L69.9Low79.9Confident102 Ų10254.4 Ų54.453%0.53428%0.282SS..Hα-helixtrans-90.7-27.1-172.6-68.3165.7000114.2Y1957Y1957-L1961 PolarHBondContact O-N 2.93Å
1962C79.3Confident79.9Confident23 Ų2348.7 Ų48.716%0.15526%0.257CS..  trans-127.8129.8-167-66.40000113.2L1958 A1987L1958-C1962 PolarHBondContact O-N 3.33Å; C1962-A1987 HydrophobicContact CB-CB 4.42Å
1963S85.7Confident79.7Confident1 Ų151.2 Ų51.21%0.00727%0.266CS..SBendtrans-72.7-34.6171.971.20000112.1V1988 N2025 S2148S1963-V1988 WeakPolarHBondContact CB-O 3.33Å; S1963-V1988 PolarHBondContact N-O 2.95Å; S1963-V1988 PolarHBondContact OG-O 3.35Å; S1963-N2025 PolarHBondContact O-N 2.88Å; S1963-S2148 VanDerWaalsContact CB-OG 3.26Å; S1963-S2148 WeakPolarHBondContact CB-OG 3.32Å; S1963-S2148 WeakPolarHBondContact OG-CB 3.38Å; S1963-S2148 PolarHBondContact OG-OG 3.06Å; S1963-S2148 VanDerWaalsContact OG-OG 3.05Å
1964V89.6Confident78.7Confident1 Ų154.6 Ų54.61%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-141.9137.7175.7-177.60000108.2V1966 A1987 V1988 Y2023 V2117 I2150V1964-V1966 HydrophobicContact CG1-CG2 4.25Å; V1964-A1987 WeakPolarHBondContact O-CA 3.25Å; V1964-V1988 PolarHBondContact N-O 2.86Å; V1964-V1988 PolarHBondContact O-N 3.44Å; V1964-Y2023 WeakPolarHBondContact CA-O 2.67Å; V1964-V2117 HydrophobicContact CG2-CB 4.2Å; V1964-V2117 HydrophobicContact CG2-CG1 3.37Å; V1964-V2117 HydrophobicContact CG2-CG2 3.71Å; V1964-I2150 HydrophobicContact CB-CD1 3.95Å; V1964-I2150 HydrophobicContact CG1-CD1 3.87Å; V1964-I2150 HydrophobicContact CG2-CD1 3.89Å
1965A90.1Very high77.8Confident2 Ų254 Ų542%0.01730%0.296CS..EExtended strand (participates in β ladder)trans-133.1132.2168.600000110L1958 A1987 V2022 Y2023L1958-A1965 HydrophobicContact CD1-CB 4.41Å; L1958-A1965 HydrophobicContact CD2-CB 3.71Å; A1965-A1987 HydrophobicContact CB-CB 4.27Å; A1965-V2022 WeakPolarHBondContact O-CA 3.25Å; A1965-Y2023 PolarHBondContact N-O 3.34Å; A1965-Y2023 PolarHBondContact O-N 3.24Å
1966V90.8Very high76.8Confident0 Ų054.3 Ų54.30%030%0.296CS..EExtended strand (participates in β ladder)trans-118.3128.3178.1179.50000107.5V1964 L1969 T1985 F1986 I2011 V2022V1964-V1966 HydrophobicContact CG1-CG2 4.25Å; V1966-L1969 HydrophobicContact CG1-CB 3.59Å; V1966-L1969 HydrophobicContact CG1-CD2 3.76Å; V1966-L1969 HydrophobicContact CG1-CG 4.26Å; V1966-T1985 VanDerWaalsContact O-CA 3.24Å; V1966-T1985 WeakPolarHBondContact O-CA 3.42Å; V1966-F1986 HydrophobicContact CB-CD1 4.09Å; V1966-F1986 HydrophobicContact CB-CE1 3.94Å; V1966-F1986 HydrophobicContact CB-CZ 4.31Å; V1966-F1986 HydrophobicContact CG1-CD1 4.46Å; V1966-F1986 HydrophobicContact CG1-CE1 4.19Å; V1966-F1986 HydrophobicContact CG2-CD1 4.38Å; V1966-F1986 HydrophobicContact CG2-CE1 3.8Å; V1966-F1986 HydrophobicContact CG2-CE2 4.19Å; V1966-F1986 HydrophobicContact CG2-CZ 3.7Å; V1966-F1986 PolarHBondContact N-O 2.9Å; V1966-F1986 PolarHBondContact O-N 3.12Å; V1966-F1986 VanDerWaalsContact O-N 3.11Å; V1966-I2011 HydrophobicContact CG2-CD1 4.05Å; V1966-I2011 HydrophobicContact CG2-CG1 4.27Å; V1966-V2022 HydrophobicContact CG1-CG2 4.49Å; V1966-V2022 HydrophobicContact CG2-CG1 4.28Å; V1966-V2022 HydrophobicContact CG2-CG2 4.49Å
1967I89.3Confident76.3Confident9 Ų959.9 Ų59.95%0.04631%0.307CS..EExtended strand (participates in β ladder)trans-133.9116.1-169.6-47.5-178.1000110.9I1949 D1953 L1958 L1969 G2020 T2021 Y2023I1949-I1967 HydrophobicContact CG2-CD1 4.17Å; I1949-I1967 HydrophobicContact CG2-CG1 3.95Å; D1953-I1967 HydrophobicContact CB-CD1 3.82Å; D1953-I1967 VanDerWaalsContact CG-CD1 3.41Å; L1958-I1967 HydrophobicContact CD1-CD1 3.92Å; I1967-L1969 PolarHBondContact O-N 3.5Å; I1967-G2020 CarbonylContact O-C 3.6Å; I1967-G2020 WeakPolarHBondContact O-CA 3.44Å; I1967-T2021 PolarHBondContact N-O 3.05Å; I1967-T2021 PolarHBondContact O-N 3.04Å; I1967-Y2023 HydrophobicContact CD1-CD2 4.27Å; I1967-Y2023 HydrophobicContact CD1-CE2 3.98Å
1968N88.2Confident76.1Confident59 Ų5958.4 Ų58.432%0.31630%0.303SS..EExtended strand (participates in β ladder)trans49.528.7178.8-78.7-24000114.6M1950 T1970 L1984 T1985M1950-N1968 VanDerWaalsContact CE-ND2 3.27Å; M1950-N1968 WeakPolarHBondContact CE-ND2 3.39Å; M1950-N1968 WeakPolarHBondContact CE-OD1 3.29Å; N1968-T1970 PolarHBondContact O-N 3.07Å; N1968-T1970 PolarHBondContact O-OG1 3.21Å; N1968-L1984 PolarHBondContact N-O 3.24Å; N1968-T1985 PolarHBondContact N-OG1 3.26Å; N1968-T1985 PolarHBondContact OD1-OG1 3.15Å
1969L89.2Confident76.4Confident0 Ų058.9 Ų58.90%031%0.307CS..EExtended strand (participates in β ladder)trans-66123.8-168-163.770.3000110.7V1966 I1967 V1981 R1983 L1984 M2010 P2017 V2022V1966-L1969 HydrophobicContact CG1-CB 3.59Å; V1966-L1969 HydrophobicContact CG1-CD2 3.76Å; V1966-L1969 HydrophobicContact CG1-CG 4.26Å; I1967-L1969 PolarHBondContact O-N 3.5Å; L1969-V1981 WeakPolarHBondContact O-CG1 3.39Å; L1969-R1983 PolarHBondContact O-N 3.41Å; L1969-L1984 HydrophobicContact CB-CB 4.32Å; L1969-L1984 PolarHBondContact N-O 3.47Å; L1969-L1984 PolarHBondContact O-N 3.07Å; L1969-M2010 HydrophobicContact CD1-SD 4.44Å; L1969-M2010 HydrophobicContact CD2-CB 3.98Å; L1969-M2010 HydrophobicContact CD2-CE 3.67Å; L1969-M2010 HydrophobicContact CD2-SD 4.3Å; L1969-M2010 HydrophobicContact CG-CE 3.78Å; L1969-M2010 HydrophobicContact CG-SD 4.14Å; L1969-P2017 HydrophobicContact CD1-CB 3.66Å; L1969-P2017 HydrophobicContact CD1-CG 4.15Å; L1969-V2022 HydrophobicContact CD1-CG2 3.67Å; L1969-V2022 HydrophobicContact CD2-CG2 3.73Å; L1969-V2022 HydrophobicContact CG-CG2 4.31Å
1970T88.8Confident77.1Confident4 Ų454 Ų543%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-138.8137.7-167.6-60.80000110.7N1968 F1972 V1981 R1983 S2018 M2019N1968-T1970 PolarHBondContact O-N 3.07Å; N1968-T1970 PolarHBondContact O-OG1 3.21Å; T1970-F1972 HydrophobicContact CG2-CD2 4.15Å; T1970-F1972 HydrophobicContact CG2-CE2 3.87Å; T1970-V1981 CarbonylContact C-O 3.46Å; T1970-V1981 WeakPolarHBondContact CA-O 3.13Å; T1970-R1983 PolarHBondContact OG1-N 3.17Å; T1970-S2018 WeakPolarHBondContact O-CA 3.4Å; T1970-S2018 WeakPolarHBondContact O-CB 3.42Å; T1970-S2018 PolarHBondContact O-N 3.31Å; T1970-M2019 PolarHBondContact N-O 3.08Å; T1970-M2019 PolarHBondContact O-N 2.69Å
1971K86.6Confident78.1Confident31 Ų3149.7 Ų49.714%0.13525%0.251CS..EExtended strand (participates in β ladder)trans-139.4124.4179-169.166.2-168.81690113.6F1973 S1980 V1981 T2006 M2010 H2016K1971-F1973 HydrophobicContact CG-CE2 4.1Å; K1971-F1973 HydrophobicContact CG-CZ 4.24Å; K1971-S1980 PolarHBondContact O-N 3.23Å; K1971-V1981 HydrophobicContact CB-CB 4.33Å; K1971-V1981 PolarHBondContact N-O 3.3Å; K1971-T2006 HydrophobicContact CB-CG2 4.49Å; K1971-T2006 HydrophobicContact CG-CG2 4.2Å; K1971-M2010 HydrophobicContact CB-CE 3.96Å; K1971-M2010 HydrophobicContact CB-SD 3.76Å; K1971-M2010 HydrophobicContact CD-SD 4.08Å; K1971-M2010 HydrophobicContact CG-SD 4.19Å; K1971-H2016 PolarHBondContact NZ-O 2.61Å
1972F80.5Confident78.8Confident19 Ų1945.9 Ų45.98%0.08323%0.232CC..  trans-106.6151166-71.8-104000111F1895 L1899 T1970 P1979 S2018F1895-F1972 HydrophobicContact CD1-CD2 4.01Å; F1895-F1972 HydrophobicContact CD1-CE2 4.26Å; F1895-F1972 HydrophobicContact CD1-CG 4.42Å; F1895-F1972 HydrophobicContact CE1-CB 3.74Å; F1895-F1972 AromaticContact CE1-CD2 3.53Å; F1895-F1972 HydrophobicContact CE1-CD2 3.53Å; F1895-F1972 HydrophobicContact CE1-CE2 4.24Å; F1895-F1972 AromaticContact CE1-CG 3.7Å; F1895-F1972 HydrophobicContact CE1-CG 3.7Å; F1895-F1972 HydrophobicContact CZ-CB 4.06Å; F1895-F1972 HydrophobicContact CZ-CG 4.44Å; L1899-F1972 HydrophobicContact CD2-CZ 4.32Å; L1899-F1972 HydrophobicContact CG-CZ 4.28Å; T1970-F1972 HydrophobicContact CG2-CD2 4.15Å; T1970-F1972 HydrophobicContact CG2-CE2 3.87Å; F1972-P1979 HydrophobicContact CD1-CB 4.25Å; F1972-P1979 HydrophobicContact CD2-CB 4.15Å; F1972-P1979 HydrophobicContact CE1-CB 3.97Å; F1972-P1979 HydrophobicContact CE1-CG 4.27Å; F1972-P1979 HydrophobicContact CE2-CB 3.87Å; F1972-P1979 HydrophobicContact CG-CB 4.35Å; F1972-P1979 HydrophobicContact CZ-CB 3.78Å; F1972-P1979 HydrophobicContact CZ-CG 4.03Å; F1972-S2018 PolarHBondContact N-OG 3.32Å
1973F73.9Confident79.1Confident67 Ų6750.4 Ų50.429%0.29425%0.245SC..  trans-118.3141.8169.7-69.9-81000109K1971 L1975 K1976 T2006 L2015K1971-F1973 HydrophobicContact CG-CE2 4.1Å; K1971-F1973 HydrophobicContact CG-CZ 4.24Å; F1973-L1975 PolarHBondContact O-N 3Å; F1973-K1976 PolarHBondContact O-N 3.38Å; F1973-K1976 VanDerWaalsContact O-N 3.08Å; F1973-T2006 HydrophobicContact CE2-CG2 3.93Å; F1973-T2006 HydrophobicContact CZ-CG2 3.93Å; F1973-L2015 HydrophobicContact CE1-CD1 4.44Å; F1973-L2015 HydrophobicContact CE1-CD2 4.46Å; F1973-L2015 HydrophobicContact CZ-CD1 4.03Å
1974P58.2Low79.3Confident132 Ų13250.4 Ų50.486%0.85725%0.245SC*.THydrogen-bonded Turntrans-63-21.1-167.423.4-34.5000114.9
1975L57.6Low79.4Confident175 Ų17550.7 Ų50.792%0.91625%0.247SC*.THydrogen-bonded Turntrans-96.70.5-179.6-65.9171.2000114.4F1973F1973-L1975 PolarHBondContact O-N 3Å
1976K55.7Low79.4Confident113 Ų11350.6 Ų50.649%0.49125%0.246SC..  trans-109.7137.4179.1-73.9-171174.7-172.20111.7F1973 K1978 S1980F1973-K1976 PolarHBondContact O-N 3.38Å; F1973-K1976 VanDerWaalsContact O-N 3.08Å; K1976-K1978 WeakPolarHBondContact CB-O 3.31Å; K1976-S1980 VanDerWaalsContact CD-OG 3.31Å; K1976-S1980 WeakPolarHBondContact CD-OG 3.29Å; K1976-S1980 PolarHBondContact NZ-OG 2.9Å
1977K59.4Low79.3Confident164 Ų16450.8 Ų50.871%0.71325%0.248SC*.SBendtrans-64.7-51.4170.4-74.2-176.2-179174.90110.9E2288K1977-E2288 IonicContact NZ-OE1 3.33Å; K1977-E2288 PolarHBondContact NZ-OE1 2.73Å; K1977-E2288 IonicContact NZ-OE2 2.74Å
1978K66.2Low79.3Confident112 Ų11250.4 Ų50.449%0.48725%0.246SC..SBendtrans-86.3153.3179.6-71.3-172.9175.4-174.50112.8K1976K1976-K1978 WeakPolarHBondContact CB-O 3.31Å
1979P75.7Confident79.2Confident20 Ų2051.2 Ų51.213%0.1325%0.245CC..  trans-59.2164.916626-33.3000111.8F1972 N1982F1972-P1979 HydrophobicContact CD1-CB 4.25Å; F1972-P1979 HydrophobicContact CD2-CB 4.15Å; F1972-P1979 HydrophobicContact CE1-CB 3.97Å; F1972-P1979 HydrophobicContact CE1-CG 4.27Å; F1972-P1979 HydrophobicContact CE2-CB 3.87Å; F1972-P1979 HydrophobicContact CG-CB 4.35Å; F1972-P1979 HydrophobicContact CZ-CB 3.78Å; F1972-P1979 HydrophobicContact CZ-CG 4.03Å; P1979-N1982 HydrophobicContact CB-CB 4.18Å; P1979-N1982 HydrophobicContact CG-CB 3.86Å
1980S79.8Confident78.9Confident9 Ų954.7 Ų54.76%0.06327%0.267CS..SBendtrans-117.1-5.6173.2-60.30000113.8K1971 K1976 G2003K1971-S1980 PolarHBondContact O-N 3.23Å; K1976-S1980 VanDerWaalsContact CD-OG 3.31Å; K1976-S1980 WeakPolarHBondContact CD-OG 3.29Å; K1976-S1980 PolarHBondContact NZ-OG 2.9Å; S1980-G2003 WeakPolarHBondContact O-CA 3.48Å
1981V86.1Confident78.7Confident0 Ų055.4 Ų55.40%028%0.275CS..EExtended strand (participates in β ladder)trans-147.3139157.7-173.40000104.8L1969 T1970 K1971 L1984 T2006 A2007 M2010 M2169L1969-V1981 WeakPolarHBondContact O-CG1 3.39Å; T1970-V1981 CarbonylContact C-O 3.46Å; T1970-V1981 WeakPolarHBondContact CA-O 3.13Å; K1971-V1981 HydrophobicContact CB-CB 4.33Å; K1971-V1981 PolarHBondContact N-O 3.3Å; V1981-L1984 HydrophobicContact CG1-CB 3.63Å; V1981-L1984 HydrophobicContact CG1-CD2 3.84Å; V1981-L1984 HydrophobicContact CG1-CG 4.36Å; V1981-T2006 HydrophobicContact CG2-CG2 4.16Å; V1981-A2007 HydrophobicContact CG2-CB 4.42Å; V1981-M2010 HydrophobicContact CB-CE 3.87Å; V1981-M2010 HydrophobicContact CG1-CE 4.11Å; V1981-M2010 HydrophobicContact CG2-CE 3.67Å; V1981-M2169 HydrophobicContact CB-CE 4.42Å; V1981-M2169 HydrophobicContact CG1-CE 3.86Å; V1981-M2169 HydrophobicContact CG2-CE 4.17Å
1982N85Confident78.7Confident23 Ų2355.1 Ų55.112%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-142.4117.8-173-175.336.3000110.2P1979 L1984 G2172 Q2173P1979-N1982 HydrophobicContact CB-CB 4.18Å; P1979-N1982 HydrophobicContact CG-CB 3.86Å; N1982-L1984 PolarHBondContact O-N 3.38Å; N1982-G2172 PolarHBondContact N-O 2.91Å; N1982-Q2173 HydrophobicContact CB-CG 3.99Å; N1982-Q2173 WeakPolarHBondContact O-CG 3.43Å
1983R85.6Confident79.1Confident118 Ų11854.2 Ų54.245%0.44527%0.27SS..EExtended strand (participates in β ladder)trans46.836.3178-61.9-178171.9-158.7-7.3114.4L1969 T1970 T1985L1969-R1983 PolarHBondContact O-N 3.41Å; T1970-R1983 PolarHBondContact OG1-N 3.17Å; R1983-T1985 PolarHBondContact O-N 2.83Å
1984L89.7Confident80Confident0 Ų051.2 Ų51.20%026%0.257CS..EExtended strand (participates in β ladder)trans-69.4124-179.4-176.969.6000109.8N1968 L1969 V1981 N1982 F1986 A2007 M2169 L2174N1968-L1984 PolarHBondContact N-O 3.24Å; L1969-L1984 HydrophobicContact CB-CB 4.32Å; L1969-L1984 PolarHBondContact N-O 3.47Å; L1969-L1984 PolarHBondContact O-N 3.07Å; V1981-L1984 HydrophobicContact CG1-CB 3.63Å; V1981-L1984 HydrophobicContact CG1-CD2 3.84Å; V1981-L1984 HydrophobicContact CG1-CG 4.36Å; N1982-L1984 PolarHBondContact O-N 3.38Å; L1984-F1986 HydrophobicContact CD1-CD1 4.39Å; L1984-F1986 HydrophobicContact CD2-CE1 4.11Å; L1984-F1986 HydrophobicContact CG-CD1 4.2Å; L1984-F1986 HydrophobicContact CG-CE1 4.22Å; L1984-A2007 HydrophobicContact CD2-CB 3.69Å; L1984-M2169 HydrophobicContact CD1-CE 4.35Å; L1984-M2169 HydrophobicContact CD2-CE 4.12Å; L1984-L2174 HydrophobicContact CD1-CB 4.04Å; L1984-L2174 HydrophobicContact CD1-CD1 4.04Å
1985T90.9Very high81.5Confident7 Ų744.9 Ų44.94%0.04322%0.216CC..EExtended strand (participates in β ladder)trans-140126.1-177.7-58.70000109.4R1946 I1949 V1966 N1968 R1983R1946-T1985 HydrophobicContact CB-CG2 4.4Å; R1946-T1985 HydrophobicContact CG-CG2 4.11Å; I1949-T1985 HydrophobicContact CB-CG2 4.25Å; I1949-T1985 HydrophobicContact CD1-CG2 3.81Å; I1949-T1985 HydrophobicContact CG2-CG2 4.21Å; V1966-T1985 VanDerWaalsContact O-CA 3.24Å; V1966-T1985 WeakPolarHBondContact O-CA 3.42Å; N1968-T1985 PolarHBondContact N-OG1 3.26Å; N1968-T1985 PolarHBondContact OD1-OG1 3.15Å; R1983-T1985 PolarHBondContact O-N 2.83Å
1986F91Very high83.1Confident0 Ų036.6 Ų36.60%017%0.173CC..EExtended strand (participates in β ladder)trans-168.2159.5174.169-89.8000110V1966 L1984 V1988 F1994 I2011 I2150 L2174V1966-F1986 HydrophobicContact CB-CD1 4.09Å; V1966-F1986 HydrophobicContact CB-CE1 3.94Å; V1966-F1986 HydrophobicContact CB-CZ 4.31Å; V1966-F1986 HydrophobicContact CG1-CD1 4.46Å; V1966-F1986 HydrophobicContact CG1-CE1 4.19Å; V1966-F1986 HydrophobicContact CG2-CD1 4.38Å; V1966-F1986 HydrophobicContact CG2-CE1 3.8Å; V1966-F1986 HydrophobicContact CG2-CE2 4.19Å; V1966-F1986 HydrophobicContact CG2-CZ 3.7Å; V1966-F1986 PolarHBondContact N-O 2.9Å; V1966-F1986 PolarHBondContact O-N 3.12Å; V1966-F1986 VanDerWaalsContact O-N 3.11Å; L1984-F1986 HydrophobicContact CD1-CD1 4.39Å; L1984-F1986 HydrophobicContact CD2-CE1 4.11Å; L1984-F1986 HydrophobicContact CG-CD1 4.2Å; L1984-F1986 HydrophobicContact CG-CE1 4.22Å; F1986-V1988 HydrophobicContact CD2-CG2 4.09Å; F1986-V1988 HydrophobicContact CE2-CG2 4.12Å; F1986-F1994 HydrophobicContact CB-CE1 4.43Å; F1986-F1994 HydrophobicContact CB-CZ 4.44Å; F1986-F1994 HydrophobicContact CD1-CE1 4.18Å; F1986-F1994 AromaticContact CD2-CD1 3.62Å; F1986-F1994 HydrophobicContact CD2-CD1 3.62Å; F1986-F1994 AromaticContact CD2-CE1 3.35Å; F1986-F1994 HydrophobicContact CD2-CE1 3.35Å; F1986-F1994 HydrophobicContact CD2-CZ 4.13Å; F1986-F1994 HydrophobicContact CE1-CE1 4.27Å; F1986-F1994 AromaticContact CE2-CD1 3.52Å; F1986-F1994 HydrophobicContact CE2-CD1 3.52Å; F1986-F1994 AromaticContact CE2-CE1 3.47Å; F1986-F1994 HydrophobicContact CE2-CE1 3.47Å; F1986-F1994 VanDerWaalsContact CE2-CE1 3.47Å; F1986-F1994 HydrophobicContact CG-CD1 4.44Å; F1986-F1994 AromaticContact CG-CE1 3.74Å; F1986-F1994 HydrophobicContact CG-CE1 3.74Å; F1986-F1994 HydrophobicContact CG-CZ 4.2Å; F1986-F1994 HydrophobicContact CZ-CD1 4.27Å; F1986-F1994 AromaticContact CZ-CE1 3.94Å; F1986-F1994 HydrophobicContact CZ-CE1 3.94Å; F1986-I2011 HydrophobicContact CZ-CD1 4.46Å; F1986-I2150 HydrophobicContact CE2-CD1 4.09Å; F1986-L2174 HydrophobicContact CB-CD1 4.35Å; F1986-L2174 HydrophobicContact CD1-CD1 4.44Å
1987A88.5Confident84.6Confident5 Ų531.3 Ų31.34%0.04115%0.15CC..EExtended strand (participates in β ladder)trans-139159.3174.900000112.4E1945 I1949 C1962 V1964 A1965E1945-A1987 PolarHBondContact OE1-N 3.44Å; E1945-A1987 VanDerWaalsContact OE1-N 3.1Å; I1949-A1987 HydrophobicContact CD1-CB 3.85Å; I1949-A1987 HydrophobicContact CG1-CB 3.82Å; C1962-A1987 HydrophobicContact CB-CB 4.42Å; V1964-A1987 WeakPolarHBondContact O-CA 3.25Å; A1965-A1987 HydrophobicContact CB-CB 4.27Å
1988V89.4Confident85.7Confident1 Ų123.5 Ų23.51%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-137123.9-173-173.40000110.3S1963 V1964 F1986 E1992 F1994 I2150S1963-V1988 WeakPolarHBondContact CB-O 3.33Å; S1963-V1988 PolarHBondContact N-O 2.95Å; S1963-V1988 PolarHBondContact OG-O 3.35Å; V1964-V1988 PolarHBondContact N-O 2.86Å; V1964-V1988 PolarHBondContact O-N 3.44Å; F1986-V1988 HydrophobicContact CD2-CG2 4.09Å; F1986-V1988 HydrophobicContact CE2-CG2 4.12Å; V1988-E1992 HydrophobicContact CG1-CB 3.85Å; V1988-F1994 HydrophobicContact CG1-CB 4.23Å; V1988-F1994 HydrophobicContact CG2-CB 3.64Å; V1988-F1994 HydrophobicContact CG2-CD1 4.09Å; V1988-F1994 HydrophobicContact CG2-CG 4.03Å; V1988-I2150 HydrophobicContact CG2-CD1 4.12Å; V1988-I2150 HydrophobicContact CG2-CG1 4.09Å
1989R85.2Confident86.1Confident76 Ų7619.1 Ų19.129%0.28710%0.099SC..  trans-73.3164.8-178.5-54.6-175.4-178.8110-17.5111.9G1991 E1992 S2148R1989-G1991 PolarHBondContact O-N 3.49Å; R1989-E1992 VanDerWaalsContact CB-CD 3.43Å; R1989-E1992 HydrophobicContact CB-CG 3.99Å; R1989-E1992 VanDerWaalsContact CB-OE2 3.31Å; R1989-E1992 WeakPolarHBondContact CB-OE2 3.38Å; R1989-E1992 VanDerWaalsContact CD-OE1 3.26Å; R1989-E1992 WeakPolarHBondContact CD-OE1 3.16Å; R1989-E1992 WeakPolarHBondContact CG-OE1 3.44Å; R1989-E1992 WeakPolarHBondContact CG-OE2 3.29Å; R1989-E1992 IonicContact CZ-OE1 3.05Å; R1989-E1992 PolarHBondContact N-OE2 3.03Å; R1989-E1992 IonicContact NE-OE1 2.64Å; R1989-E1992 IonicContact NH1-OE1 3.83Å; R1989-E1992 PolarHBondContact NH1-OE1 2.91Å; R1989-E1992 PolarHBondContact O-N 3.23Å; R1989-S2148 PolarHBondContact O-OG 2.83Å
1990P84Confident86Confident72 Ų7221.3 Ų21.347%0.46811%0.109SC..THydrogen-bonded Turntrans-52.8129.7167.1-2737.1000112E1992 S2148P1990-E1992 VanDerWaalsContact C-N 3.31Å; P1990-E1992 PolarHBondContact O-N 2.8Å; P1990-S2148 VanDerWaalsContact CA-OG 3.23Å; P1990-S2148 WeakPolarHBondContact CA-OG 3.29Å
1991G83.9Confident85.5Confident19 Ų1924.1 Ų24.120%0.19614%0.14CC..THydrogen-bonded Turntrans76.43.5177.300000116.7R1989 I2143 G2146 S2148R1989-G1991 PolarHBondContact O-N 3.49Å; G1991-I2143 WeakPolarHBondContact O-CG2 3.39Å; G1991-G2146 PolarHBondContact N-O 2.83Å; G1991-S2148 PolarHBondContact N-OG 3.44Å; G1991-S2148 VanDerWaalsContact N-OG 3.1Å
1992E85.9Confident85.2Confident25 Ų2524.5 Ų24.512%0.11714%0.143CC..  trans-87.4150.9173.2-75.4177.6167.600112.7V1988 R1989 P1990 S2148 I2149V1988-E1992 HydrophobicContact CG1-CB 3.85Å; R1989-E1992 VanDerWaalsContact CB-CD 3.43Å; R1989-E1992 HydrophobicContact CB-CG 3.99Å; R1989-E1992 VanDerWaalsContact CB-OE2 3.31Å; R1989-E1992 WeakPolarHBondContact CB-OE2 3.38Å; R1989-E1992 VanDerWaalsContact CD-OE1 3.26Å; R1989-E1992 WeakPolarHBondContact CD-OE1 3.16Å; R1989-E1992 WeakPolarHBondContact CG-OE1 3.44Å; R1989-E1992 WeakPolarHBondContact CG-OE2 3.29Å; R1989-E1992 IonicContact CZ-OE1 3.05Å; R1989-E1992 PolarHBondContact N-OE2 3.03Å; R1989-E1992 IonicContact NE-OE1 2.64Å; R1989-E1992 IonicContact NH1-OE1 3.83Å; R1989-E1992 PolarHBondContact NH1-OE1 2.91Å; R1989-E1992 PolarHBondContact O-N 3.23Å; P1990-E1992 VanDerWaalsContact C-N 3.31Å; P1990-E1992 PolarHBondContact O-N 2.8Å; E1992-S2148 WeakPolarHBondContact O-CA 2.9Å; E1992-I2149 PolarHBondContact O-N 3.29Å
1993C89.8Confident85.1Confident0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-111.2119.4166.4-170.30000112I2143 I2149 L2162 C2163 Q2164C1993-I2143 HydrophobicContact CB-CD1 3.59Å; C1993-I2143 HydrophobicContact CB-CG1 4.22Å; C1993-I2149 CarbonylContact C-O 3.52Å; C1993-I2149 VanDerWaalsContact CA-O 3.23Å; C1993-I2149 WeakPolarHBondContact CA-O 3.42Å; C1993-I2149 HydrophobicContact CB-CB 4.42Å; C1993-I2149 PolarHBondContact SG-O 3.11Å; C1993-L2162 WeakPolarHBondContact CB-O 3.39Å; C1993-C2163 WeakPolarHBondContact O-CA 3.21Å; C1993-Q2164 PolarHBondContact O-N 2.68Å; C1993-Q2164 VanDerWaalsContact O-N 3.16Å; C1993-Q2164 PolarHBondContact O-OE1 3.15Å
1994F91.9Very high85.1Confident4 Ų418.3 Ų18.32%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-108.9125.7180178.1-118.8000111.8F1986 V1988 L1996 I2149 I2150 L2151 Y2165 L2174 F2177F1986-F1994 HydrophobicContact CB-CE1 4.43Å; F1986-F1994 HydrophobicContact CB-CZ 4.44Å; F1986-F1994 HydrophobicContact CD1-CE1 4.18Å; F1986-F1994 AromaticContact CD2-CD1 3.62Å; F1986-F1994 HydrophobicContact CD2-CD1 3.62Å; F1986-F1994 AromaticContact CD2-CE1 3.35Å; F1986-F1994 HydrophobicContact CD2-CE1 3.35Å; F1986-F1994 HydrophobicContact CD2-CZ 4.13Å; F1986-F1994 HydrophobicContact CE1-CE1 4.27Å; F1986-F1994 AromaticContact CE2-CD1 3.52Å; F1986-F1994 HydrophobicContact CE2-CD1 3.52Å; F1986-F1994 AromaticContact CE2-CE1 3.47Å; F1986-F1994 HydrophobicContact CE2-CE1 3.47Å; F1986-F1994 VanDerWaalsContact CE2-CE1 3.47Å; F1986-F1994 HydrophobicContact CG-CD1 4.44Å; F1986-F1994 AromaticContact CG-CE1 3.74Å; F1986-F1994 HydrophobicContact CG-CE1 3.74Å; F1986-F1994 HydrophobicContact CG-CZ 4.2Å; F1986-F1994 HydrophobicContact CZ-CD1 4.27Å; F1986-F1994 AromaticContact CZ-CE1 3.94Å; F1986-F1994 HydrophobicContact CZ-CE1 3.94Å; V1988-F1994 HydrophobicContact CG1-CB 4.23Å; V1988-F1994 HydrophobicContact CG2-CB 3.64Å; V1988-F1994 HydrophobicContact CG2-CD1 4.09Å; V1988-F1994 HydrophobicContact CG2-CG 4.03Å; F1994-L1996 HydrophobicContact CE1-CB 4.24Å; F1994-L1996 HydrophobicContact CE1-CD1 4.28Å; F1994-L1996 HydrophobicContact CZ-CD1 4.4Å; F1994-I2149 PolarHBondContact N-O 2.87Å; F1994-I2150 HydrophobicContact CD1-CG2 4Å; F1994-I2150 WeakPolarHBondContact O-CA 3.4Å; F1994-L2151 PolarHBondContact O-N 2.8Å; F1994-Y2165 WeakPolarHBondContact CA-O 3.39Å; F1994-Y2165 VanDerWaalsContact CD2-O 3.3Å; F1994-Y2165 WeakPolarHBondContact CD2-O 3.32Å; F1994-L2174 HydrophobicContact CZ-CD1 4.45Å; F1994-F2177 HydrophobicContact CD2-CE2 4.22Å; F1994-F2177 AromaticContact CE2-CD2 3.9Å; F1994-F2177 HydrophobicContact CE2-CD2 3.9Å; F1994-F2177 AromaticContact CE2-CE2 3.56Å; F1994-F2177 HydrophobicContact CE2-CE2 3.56Å; F1994-F2177 HydrophobicContact CZ-CD2 4.39Å; F1994-F2177 HydrophobicContact CZ-CE2 4.2Å
1995G91.1Very high84.9Confident0 Ų020.1 Ų20.10%013%0.13CC..EExtended strand (participates in β ladder)trans-99.5107.8178.700000112.4L1997 C2163 Y2165 I2166 G2167G1995-L1997 PolarHBondContact O-N 2.98Å; G1995-C2163 VanDerWaalsContact CA-SG 3.51Å; G1995-Y2165 PolarHBondContact N-O 2.88Å; G1995-I2166 WeakPolarHBondContact O-CA 3.13Å; G1995-G2167 PolarHBondContact O-N 2.85Å
1996L90.8Very high84.7Confident1 Ų121.1 Ų21.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-88.195.9172.1-172.268.7000109.5F1994 K2004 L2151 T2152 M2169 L2174F1994-L1996 HydrophobicContact CE1-CB 4.24Å; F1994-L1996 HydrophobicContact CE1-CD1 4.28Å; F1994-L1996 HydrophobicContact CZ-CD1 4.4Å; L1996-K2004 WeakPolarHBondContact O-CD 3.39Å; L1996-L2151 PolarHBondContact N-O 2.87Å; L1996-T2152 HydrophobicContact CB-CG2 3.9Å; L1996-T2152 HydrophobicContact CD2-CG2 3.88Å; L1996-T2152 HydrophobicContact CG-CG2 4.24Å; L1996-M2169 HydrophobicContact CD1-CB 4.15Å; L1996-M2169 HydrophobicContact CD1-SD 4.47Å; L1996-M2169 HydrophobicContact CD2-SD 4.15Å; L1996-M2169 HydrophobicContact CG-SD 4.46Å; L1996-L2174 HydrophobicContact CD1-CD1 4.39Å
1997L86.2Confident84.6Confident1 Ų121.1 Ų21.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-85.5164.3178.1-106.3165000111.4G1995 M2156 C2159 I2166 G2167 I2168 M2169 L2266 F2270G1995-L1997 PolarHBondContact O-N 2.98Å; L1997-M2156 HydrophobicContact CD1-CG 4.41Å; L1997-M2156 HydrophobicContact CD1-SD 4.37Å; L1997-M2156 HydrophobicContact CD2-CE 3.71Å; L1997-M2156 HydrophobicContact CD2-SD 3.64Å; L1997-C2159 HydrophobicContact CD1-CB 4.25Å; L1997-I2166 HydrophobicContact CB-CG2 4.26Å; L1997-I2166 HydrophobicContact CD1-CG2 3.82Å; L1997-G2167 PolarHBondContact N-O 3.38Å; L1997-I2168 HydrophobicContact CB-CG1 4.33Å; L1997-M2169 WeakPolarHBondContact O-CB 3.36Å; L1997-M2169 PolarHBondContact O-N 2.97Å; L1997-L2266 HydrophobicContact CD1-CD2 4.27Å; L1997-F2270 HydrophobicContact CD2-CD2 4.48Å; L1997-F2270 HydrophobicContact CD2-CE2 4.38Å
1998G82.3Confident84.7Confident0 Ų020.9 Ų20.90%013%0.134CC..EExtended strand (participates in β ladder)trans153156.4-177.100000113.9K2004 M2169G1998-K2004 PolarHBondContact O-NZ 3.06Å; G1998-M2169 VanDerWaalsContact CA-O 3.25Å; G1998-M2169 WeakPolarHBondContact CA-O 3.47Å
1999V76.1Confident84.5Confident21 Ų2121.8 Ų21.813%0.12714%0.139CC..  trans-68.4163.1-180-65.90000112.7G2001 A2002 F2270V1999-G2001 PolarHBondContact O-N 2.82Å; V1999-A2002 HydrophobicContact CG2-CB 3.89Å; V1999-A2002 VanDerWaalsContact O-CB 3.29Å; V1999-A2002 WeakPolarHBondContact O-CB 3.42Å; V1999-A2002 PolarHBondContact O-N 3.13Å; V1999-F2270 HydrophobicContact CB-CZ 4.48Å; V1999-F2270 HydrophobicContact CG1-CE1 3.93Å; V1999-F2270 HydrophobicContact CG1-CZ 3.6Å
2000N72.3Confident84.7Confident66 Ų6618.3 Ų18.335%0.35313%0.126SC..THydrogen-bonded Turntrans-67.7104.3177.5-92.9-30.8000111.4D988D988-N2000 HydrophobicContact CB-CB 4.02Å; D988-N2000 WeakPolarHBondContact CB-ND2 3.29Å; D988-N2000 WeakPolarHBondContact OD1-CB 3.28Å; D988-N2000 PolarHBondContact OD1-ND2 3.16Å
2001G71.2Confident85Confident68 Ų6815 Ų1570%0.70111%0.105SC*.THydrogen-bonded Turntrans114.3-8.1-175.800000114.4V1999 G2003V1999-G2001 PolarHBondContact O-N 2.82Å; G2001-G2003 PolarHBondContact O-N 3.18Å; G2001-G2003 VanDerWaalsContact O-N 3.16Å
2002A78.7Confident85.1Confident7 Ų714.2 Ų14.26%0.05810%0.096CC..SBendtrans-58.8-26.7-179.600000114.2V1999 M2169 G2172V1999-A2002 HydrophobicContact CG2-CB 3.89Å; V1999-A2002 VanDerWaalsContact O-CB 3.29Å; V1999-A2002 WeakPolarHBondContact O-CB 3.42Å; V1999-A2002 PolarHBondContact O-N 3.13Å; A2002-M2169 WeakPolarHBondContact CB-O 3.38Å; A2002-G2172 WeakPolarHBondContact O-CA 3.42Å; A2002-G2172 PolarHBondContact O-N 2.99Å
2003G83Confident84.8Confident4 Ų414.5 Ų14.54%0.04111%0.105CC..SBendtrans138.7-24.1174.700000114.5S1980 G2001 T2005 T2006 A2007S1980-G2003 WeakPolarHBondContact O-CA 3.48Å; G2001-G2003 PolarHBondContact O-N 3.18Å; G2001-G2003 VanDerWaalsContact O-N 3.16Å; G2003-T2005 PolarHBondContact O-N 3.42Å; G2003-T2006 CarbonylContact O-C 3.58Å; G2003-T2006 VanDerWaalsContact O-CA 3.22Å; G2003-T2006 WeakPolarHBondContact O-CA 3.38Å; G2003-T2006 WeakPolarHBondContact O-CB 3.23Å; G2003-T2006 PolarHBondContact O-N 2.92Å; G2003-T2006 PolarHBondContact O-OG1 3.47Å; G2003-A2007 PolarHBondContact O-N 3.33Å
2004K86.3Confident84.2Confident7 Ų719.7 Ų19.73%0.0313%0.128CC..Hα-helixtrans-22.8-76.7-179.6-57.8-161.9-50.4-1390115.7L1996 G1998 T2006 A2007 F2008 E2122 T2152 T2153 M2169L1996-K2004 WeakPolarHBondContact O-CD 3.39Å; G1998-K2004 PolarHBondContact O-NZ 3.06Å; K2004-T2006 PolarHBondContact O-N 3.32Å; K2004-A2007 WeakPolarHBondContact O-CA 3.27Å; K2004-A2007 WeakPolarHBondContact O-CB 3.39Å; K2004-A2007 PolarHBondContact O-N 2.88Å; K2004-F2008 PolarHBondContact O-N 2.99Å; K2004-F2008 VanDerWaalsContact O-N 3.07Å; K2004-E2122 IonicContact NZ-OE1 3.65Å; K2004-T2152 HydrophobicContact CB-CG2 3.71Å; K2004-T2152 HydrophobicContact CD-CG2 4.32Å; K2004-T2152 HydrophobicContact CG-CG2 4.33Å; K2004-T2153 PolarHBondContact NZ-O 3.1Å; K2004-M2169 HydrophobicContact CG-SD 4.21Å; K2004-M2169 PolarHBondContact N-SD 3.32Å; K2004-M2169 VanDerWaalsContact N-SD 3.41Å
2005T84.4Confident83.7Confident38 Ų3821.9 Ų21.923%0.23314%0.139CC..Hα-helixtrans-62.6-25.1-178.7-48.90000112.7G2003 N2009 D2121G2003-T2005 PolarHBondContact O-N 3.42Å; T2005-N2009 WeakPolarHBondContact O-CB 3.42Å; T2005-N2009 VanDerWaalsContact O-CG 3.3Å; T2005-N2009 PolarHBondContact O-N 2.85Å; T2005-N2009 PolarHBondContact O-ND2 2.77Å; T2005-D2121 VanDerWaalsContact CG2-OD2 3.23Å; T2005-D2121 WeakPolarHBondContact CG2-OD2 3.46Å; T2005-D2121 PolarHBondContact OG1-OD1 2.91Å; T2005-D2121 VanDerWaalsContact OG1-OD1 3.08Å
2006T87.1Confident83.2Confident29 Ų2926.4 Ų26.418%0.17816%0.16CC..Hα-helixtrans-68.4-40.2171.2-41.50000111.5K1971 F1973 V1981 G2003 K2004 N2009 M2010 L2015K1971-T2006 HydrophobicContact CB-CG2 4.49Å; K1971-T2006 HydrophobicContact CG-CG2 4.2Å; F1973-T2006 HydrophobicContact CE2-CG2 3.93Å; F1973-T2006 HydrophobicContact CZ-CG2 3.93Å; V1981-T2006 HydrophobicContact CG2-CG2 4.16Å; G2003-T2006 CarbonylContact O-C 3.58Å; G2003-T2006 VanDerWaalsContact O-CA 3.22Å; G2003-T2006 WeakPolarHBondContact O-CA 3.38Å; G2003-T2006 WeakPolarHBondContact O-CB 3.23Å; G2003-T2006 PolarHBondContact O-N 2.92Å; G2003-T2006 PolarHBondContact O-OG1 3.47Å; K2004-T2006 PolarHBondContact O-N 3.32Å; T2006-N2009 PolarHBondContact O-N 2.95Å; T2006-M2010 WeakPolarHBondContact O-CG 3.34Å; T2006-M2010 PolarHBondContact O-N 3.24Å; T2006-M2010 VanDerWaalsContact O-N 3.12Å; T2006-L2015 HydrophobicContact CG2-CD1 3.93Å
2007A88.9Confident82.9Confident0 Ų027.7 Ų27.70%017%0.169CC..Hα-helixtrans-63.8-46.3173.500000111V1981 L1984 G2003 K2004 N2009 M2010 I2011V1981-A2007 HydrophobicContact CG2-CB 4.42Å; L1984-A2007 HydrophobicContact CD2-CB 3.69Å; G2003-A2007 PolarHBondContact O-N 3.33Å; K2004-A2007 WeakPolarHBondContact O-CA 3.27Å; K2004-A2007 WeakPolarHBondContact O-CB 3.39Å; K2004-A2007 PolarHBondContact O-N 2.88Å; A2007-N2009 VanDerWaalsContact C-N 3.35Å; A2007-N2009 PolarHBondContact O-N 3.3Å; A2007-M2010 WeakPolarHBondContact O-CA 3.29Å; A2007-M2010 WeakPolarHBondContact O-CB 3.36Å; A2007-M2010 PolarHBondContact O-N 3.41Å; A2007-I2011 WeakPolarHBondContact O-CG1 3.5Å; A2007-I2011 PolarHBondContact O-N 3.2Å
2008F90.4Very high82.7Confident0 Ų029.6 Ų29.60%018%0.182CC..Hα-helixtrans-57.6-44.5172.9-87.224.7000112.4K2004 M2010 I2011 T2012 Y2042 L2119 D2121 I2150 T2152K2004-F2008 PolarHBondContact O-N 2.99Å; K2004-F2008 VanDerWaalsContact O-N 3.07Å; F2008-M2010 PolarHBondContact O-N 3.17Å; F2008-M2010 VanDerWaalsContact O-N 3.17Å; F2008-I2011 HydrophobicContact CD1-CD1 4.23Å; F2008-I2011 PolarHBondContact O-N 3.15Å; F2008-T2012 WeakPolarHBondContact O-CG2 3.44Å; F2008-T2012 PolarHBondContact O-N 3.49Å; F2008-T2012 PolarHBondContact O-OG1 2.84Å; F2008-T2012 VanDerWaalsContact O-OG1 3.09Å; F2008-Y2042 HydrophobicContact CD2-CE2 4.16Å; F2008-L2119 HydrophobicContact CD2-CB 4.25Å; F2008-L2119 HydrophobicContact CE1-CD2 4.42Å; F2008-L2119 HydrophobicContact CE2-CB 3.96Å; F2008-L2119 HydrophobicContact CZ-CB 4.36Å; F2008-L2119 HydrophobicContact CZ-CD2 4.36Å; F2008-D2121 HydrophobicContact CD2-CB 3.98Å; F2008-D2121 HydrophobicContact CE2-CB 4.21Å; F2008-I2150 HydrophobicContact CE1-CB 4.42Å; F2008-I2150 HydrophobicContact CE1-CG2 3.68Å; F2008-I2150 HydrophobicContact CZ-CB 4.26Å; F2008-I2150 HydrophobicContact CZ-CG2 3.8Å; F2008-I2150 WeakPolarHBondContact CZ-O 3.36Å; F2008-T2152 HydrophobicContact CD1-CG2 3.96Å; F2008-T2152 HydrophobicContact CD2-CG2 4.39Å; F2008-T2152 WeakPolarHBondContact CD2-OG1 3.24Å; F2008-T2152 HydrophobicContact CE1-CG2 3.6Å; F2008-T2152 HydrophobicContact CE2-CG2 4.06Å; F2008-T2152 WeakPolarHBondContact CE2-OG1 3.19Å; F2008-T2152 HydrophobicContact CG-CG2 4.36Å; F2008-T2152 HydrophobicContact CZ-CG2 3.66Å
2009N86.1Confident82.8Confident20 Ų2033.7 Ų33.711%0.10720%0.202CC..Hα-helixtrans-64.2-17174.9-76-66000113.5T2005 T2006 A2007 K2014 L2015T2005-N2009 WeakPolarHBondContact O-CB 3.42Å; T2005-N2009 VanDerWaalsContact O-CG 3.3Å; T2005-N2009 PolarHBondContact O-N 2.85Å; T2005-N2009 PolarHBondContact O-ND2 2.77Å; T2006-N2009 PolarHBondContact O-N 2.95Å; A2007-N2009 VanDerWaalsContact C-N 3.35Å; A2007-N2009 PolarHBondContact O-N 3.3Å; N2009-K2014 HydrophobicContact CB-CB 4.21Å; N2009-K2014 HydrophobicContact CB-CD 4.35Å; N2009-K2014 CarbonylContact O-C 3.58Å; N2009-K2014 WeakPolarHBondContact O-CA 3.43Å; N2009-K2014 WeakPolarHBondContact O-CB 3.39Å; N2009-K2014 PolarHBondContact O-N 3.06Å; N2009-K2014 WeakPolarHBondContact OD1-CD 3.49Å; N2009-K2014 PolarHBondContact OD1-NZ 3.15Å; N2009-L2015 HydrophobicContact CB-CD1 3.93Å; N2009-L2015 HydrophobicContact CB-CG 4.24Å; N2009-L2015 PolarHBondContact O-N 3.38Å
2010M89.4Confident83.2Confident3 Ų334.1 Ų34.12%0.01521%0.211CC..Hα-helixtrans-86.7-42.4169.8-68.6-174-70.500112.1L1969 K1971 V1981 T2006 A2007 F2008 T2012 G2013 L2015 P2017L1969-M2010 HydrophobicContact CD1-SD 4.44Å; L1969-M2010 HydrophobicContact CD2-CB 3.98Å; L1969-M2010 HydrophobicContact CD2-CE 3.67Å; L1969-M2010 HydrophobicContact CD2-SD 4.3Å; L1969-M2010 HydrophobicContact CG-CE 3.78Å; L1969-M2010 HydrophobicContact CG-SD 4.14Å; K1971-M2010 HydrophobicContact CB-CE 3.96Å; K1971-M2010 HydrophobicContact CB-SD 3.76Å; K1971-M2010 HydrophobicContact CD-SD 4.08Å; K1971-M2010 HydrophobicContact CG-SD 4.19Å; V1981-M2010 HydrophobicContact CB-CE 3.87Å; V1981-M2010 HydrophobicContact CG1-CE 4.11Å; V1981-M2010 HydrophobicContact CG2-CE 3.67Å; T2006-M2010 WeakPolarHBondContact O-CG 3.34Å; T2006-M2010 PolarHBondContact O-N 3.24Å; T2006-M2010 VanDerWaalsContact O-N 3.12Å; A2007-M2010 WeakPolarHBondContact O-CA 3.29Å; A2007-M2010 WeakPolarHBondContact O-CB 3.36Å; A2007-M2010 PolarHBondContact O-N 3.41Å; F2008-M2010 PolarHBondContact O-N 3.17Å; F2008-M2010 VanDerWaalsContact O-N 3.17Å; M2010-T2012 VanDerWaalsContact C-N 3.27Å; M2010-T2012 PolarHBondContact O-N 3.19Å; M2010-G2013 PolarHBondContact O-N 3.47Å; M2010-L2015 WeakPolarHBondContact CA-O 3.37Å; M2010-L2015 HydrophobicContact CG-CB 4.04Å; M2010-L2015 WeakPolarHBondContact CG-O 3.49Å; M2010-P2017 HydrophobicContact SD-CB 3.84Å
2011I88.7Confident83.9Confident2 Ų233 Ų331%0.0121%0.207CC..Hα-helixtrans-62.4-34.3175.3-60.4164.3000111.1V1966 F1986 A2007 F2008 G2013 V2022 V2024 V2029 L2119V1966-I2011 HydrophobicContact CG2-CD1 4.05Å; V1966-I2011 HydrophobicContact CG2-CG1 4.27Å; F1986-I2011 HydrophobicContact CZ-CD1 4.46Å; A2007-I2011 WeakPolarHBondContact O-CG1 3.5Å; A2007-I2011 PolarHBondContact O-N 3.2Å; F2008-I2011 HydrophobicContact CD1-CD1 4.23Å; F2008-I2011 PolarHBondContact O-N 3.15Å; I2011-G2013 VanDerWaalsContact C-N 3.31Å; I2011-V2022 HydrophobicContact CB-CG1 4.36Å; I2011-V2022 HydrophobicContact CG1-CG1 4.05Å; I2011-V2022 HydrophobicContact CG1-CG2 4.25Å; I2011-V2022 HydrophobicContact CG2-CG1 4.11Å; I2011-V2024 HydrophobicContact CG2-CG2 4.28Å; I2011-V2029 VanDerWaalsContact O-CG1 3.32Å; I2011-V2029 WeakPolarHBondContact O-CG1 3.27Å; I2011-L2119 HydrophobicContact CB-CD1 4.32Å; I2011-L2119 HydrophobicContact CG2-CD1 3.81Å; I2011-L2119 HydrophobicContact CG2-CD2 4.47Å
2012T86.3Confident84.8Confident3 Ų330 Ų302%0.01817%0.174CC..THydrogen-bonded Turntrans-85.75.7172.967.70000114Y1672 F2008 M2010 K2014 L2040 Y2042 L2119Y1672-T2012 WeakPolarHBondContact OH-CB 3.04Å; Y1672-T2012 PolarHBondContact OH-O 2.84Å; Y1672-T2012 PolarHBondContact OH-OG1 2.91Å; F2008-T2012 WeakPolarHBondContact O-CG2 3.44Å; F2008-T2012 PolarHBondContact O-N 3.49Å; F2008-T2012 PolarHBondContact O-OG1 2.84Å; F2008-T2012 VanDerWaalsContact O-OG1 3.09Å; M2010-T2012 VanDerWaalsContact C-N 3.27Å; M2010-T2012 PolarHBondContact O-N 3.19Å; T2012-K2014 VanDerWaalsContact C-N 3.26Å; T2012-K2014 PolarHBondContact O-N 2.66Å; T2012-L2040 HydrophobicContact CG2-CD2 4.05Å; T2012-Y2042 HydrophobicContact CG2-CD1 4.04Å; T2012-Y2042 HydrophobicContact CG2-CD2 4.12Å; T2012-Y2042 HydrophobicContact CG2-CE1 4.4Å; T2012-Y2042 HydrophobicContact CG2-CE2 4.48Å; T2012-Y2042 HydrophobicContact CG2-CG 3.89Å; T2012-L2119 HydrophobicContact CG2-CD1 3.59Å
2013G79.3Confident85.3Confident30 Ų3032.4 Ų32.431%0.30918%0.183SC..THydrogen-bonded Turntrans67.511.317700000116.5M2010 I2011M2010-G2013 PolarHBondContact O-N 3.47Å; I2011-G2013 VanDerWaalsContact C-N 3.31Å
2014K78.8Confident85.5Confident110 Ų11032.2 Ų32.248%0.47818%0.181SC..SBendtrans-71-35177.8-161.6-173.3-167.9174.90112.8Y1672 N2009 T2012Y1672-K2014 HydrophobicContact CD1-CD 4.07Å; Y1672-K2014 HydrophobicContact CD2-CD 4.34Å; Y1672-K2014 HydrophobicContact CD2-CG 3.94Å; Y1672-K2014 HydrophobicContact CE1-CB 4.3Å; Y1672-K2014 HydrophobicContact CE1-CD 3.84Å; Y1672-K2014 HydrophobicContact CE1-CG 4.16Å; Y1672-K2014 HydrophobicContact CE2-CB 3.76Å; Y1672-K2014 HydrophobicContact CE2-CD 4.15Å; Y1672-K2014 HydrophobicContact CE2-CG 3.57Å; Y1672-K2014 HydrophobicContact CG-CD 4.33Å; Y1672-K2014 HydrophobicContact CG-CG 4.43Å; Y1672-K2014 WeakPolarHBondContact OH-CB 3.48Å; N2009-K2014 HydrophobicContact CB-CB 4.21Å; N2009-K2014 HydrophobicContact CB-CD 4.35Å; N2009-K2014 CarbonylContact O-C 3.58Å; N2009-K2014 WeakPolarHBondContact O-CA 3.43Å; N2009-K2014 WeakPolarHBondContact O-CB 3.39Å; N2009-K2014 PolarHBondContact O-N 3.06Å; N2009-K2014 WeakPolarHBondContact OD1-CD 3.49Å; N2009-K2014 PolarHBondContact OD1-NZ 3.15Å; T2012-K2014 VanDerWaalsContact C-N 3.26Å; T2012-K2014 PolarHBondContact O-N 2.66Å
2015L79.7Confident85.4Confident49 Ų4934 Ų3426%0.25719%0.191SC..SBendtrans-117.1120.9173.9-73.4172.5000107.4F1973 T2006 N2009 M2010F1973-L2015 HydrophobicContact CE1-CD1 4.44Å; F1973-L2015 HydrophobicContact CE1-CD2 4.46Å; F1973-L2015 HydrophobicContact CZ-CD1 4.03Å; T2006-L2015 HydrophobicContact CG2-CD1 3.93Å; N2009-L2015 HydrophobicContact CB-CD1 3.93Å; N2009-L2015 HydrophobicContact CB-CG 4.24Å; N2009-L2015 PolarHBondContact O-N 3.38Å; M2010-L2015 WeakPolarHBondContact CA-O 3.37Å; M2010-L2015 HydrophobicContact CG-CB 4.04Å; M2010-L2015 WeakPolarHBondContact CG-O 3.49Å
2016H81.3Confident85.2Confident95 Ų9533.2 Ų33.244%0.4419%0.19SC..  trans-61.5136.1165-76.9-71.3000109.6K1971K1971-H2016 PolarHBondContact NZ-O 2.61Å
2017P84.7Confident85.2Confident28 Ų2834.9 Ų34.918%0.18220%0.195CC..  trans-62160.8171.426.4-33.3000111.5L1969 M2010 V2030L1969-P2017 HydrophobicContact CD1-CB 3.66Å; L1969-P2017 HydrophobicContact CD1-CG 4.15Å; M2010-P2017 HydrophobicContact SD-CB 3.84Å; P2017-V2030 HydrophobicContact CG-CG2 3.9Å
2018S82.7Confident85.1Confident41 Ų4135.9 Ų35.929%0.28720%0.2SC..SBendtrans-86.2-37.4169-68.60000111.3T1970 F1972T1970-S2018 WeakPolarHBondContact O-CA 3.4Å; T1970-S2018 WeakPolarHBondContact O-CB 3.42Å; T1970-S2018 PolarHBondContact O-N 3.31Å; F1972-S2018 PolarHBondContact N-OG 3.32Å
2019M83.8Confident84.8Confident86 Ų8636.1 Ų36.142%0.42420%0.201SC..EExtended strand (participates in β ladder)trans-148.8162.2171.1-55.2170.966.700108.7L1899 T1970L1899-M2019 HydrophobicContact CD1-SD 4.34Å; T1970-M2019 PolarHBondContact N-O 3.08Å; T1970-M2019 PolarHBondContact O-N 2.69Å
2020G84.8Confident84.5Confident30 Ų3037.8 Ų37.831%0.30921%0.213SC..EExtended strand (participates in β ladder)trans86.2169.8-179.500000114.5I1967I1967-G2020 CarbonylContact O-C 3.6Å; I1967-G2020 WeakPolarHBondContact O-CA 3.44Å
2021T86.9Confident84Confident43 Ų4342.8 Ų42.826%0.26424%0.243SC..EExtended strand (participates in β ladder)trans-128.2161.7-172.543.10000111.6I1967I1967-T2021 PolarHBondContact N-O 3.05Å; I1967-T2021 PolarHBondContact O-N 3.04Å
2022V89.6Confident83.7Confident4 Ų447 Ų472%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-139.8131.9172.7-176.90000108.5A1965 V1966 L1969 I2011 V2024 N2028 V2029A1965-V2022 WeakPolarHBondContact O-CA 3.25Å; V1966-V2022 HydrophobicContact CG1-CG2 4.49Å; V1966-V2022 HydrophobicContact CG2-CG1 4.28Å; V1966-V2022 HydrophobicContact CG2-CG2 4.49Å; L1969-V2022 HydrophobicContact CD1-CG2 3.67Å; L1969-V2022 HydrophobicContact CD2-CG2 3.73Å; L1969-V2022 HydrophobicContact CG-CG2 4.31Å; I2011-V2022 HydrophobicContact CB-CG1 4.36Å; I2011-V2022 HydrophobicContact CG1-CG1 4.05Å; I2011-V2022 HydrophobicContact CG1-CG2 4.25Å; I2011-V2022 HydrophobicContact CG2-CG1 4.11Å; V2022-V2024 HydrophobicContact CG1-CG2 4.35Å; V2022-N2028 WeakPolarHBondContact O-CA 3.44Å; V2022-V2029 HydrophobicContact CB-CB 4.18Å; V2022-V2029 HydrophobicContact CB-CG2 3.86Å; V2022-V2029 HydrophobicContact CG1-CG2 3.67Å; V2022-V2029 PolarHBondContact O-N 3.38Å
2023Y89Confident83.4Confident58 Ų5849.3 Ų49.323%0.22728%0.277CS..EExtended strand (participates in β ladder)trans-112.8138.2169.8-58.2-82000109.9L1958 V1964 A1965 I1967 F2027 N2028L1958-Y2023 HydrophobicContact CD1-CD2 3.84Å; L1958-Y2023 HydrophobicContact CD1-CE2 3.82Å; V1964-Y2023 WeakPolarHBondContact CA-O 2.67Å; A1965-Y2023 PolarHBondContact N-O 3.34Å; A1965-Y2023 PolarHBondContact O-N 3.24Å; I1967-Y2023 HydrophobicContact CD1-CD2 4.27Å; I1967-Y2023 HydrophobicContact CD1-CE2 3.98Å; Y2023-F2027 WeakPolarHBondContact CA-O 3.35Å; Y2023-N2028 HydrophobicContact CD1-CB 3.86Å; Y2023-N2028 HydrophobicContact CE1-CB 3.81Å
2024V88.2Confident83.4Confident0 Ų056 Ų560%030%0.298CS..EExtended strand (participates in β ladder)trans-128.2112.9173.5174.40000107.5I2011 V2022 G2026 F2027 V2029 A2036 L2040 V2117I2011-V2024 HydrophobicContact CG2-CG2 4.28Å; V2022-V2024 HydrophobicContact CG1-CG2 4.35Å; V2024-G2026 VanDerWaalsContact C-N 3.25Å; V2024-G2026 PolarHBondContact O-N 3.22Å; V2024-F2027 PolarHBondContact N-O 3.39Å; V2024-F2027 PolarHBondContact O-N 2.89Å; V2024-V2029 HydrophobicContact CB-CG2 4.5Å; V2024-V2029 HydrophobicContact CG2-CG2 3.76Å; V2024-A2036 HydrophobicContact CB-CB 4.15Å; V2024-L2040 HydrophobicContact CG1-CD1 4.08Å; V2024-V2117 HydrophobicContact CG1-CB 4.41Å; V2024-V2117 HydrophobicContact CG1-CG2 4.25Å
2025N83.2Confident83.4Confident45 Ų4554.5 Ų54.524%0.24130%0.295CS..THydrogen-bonded Turntrans50.446.6-174.2-127.242.3000111.8S1963 F2027 N2039 Q2116S1963-N2025 PolarHBondContact O-N 2.88Å; N2025-F2027 VanDerWaalsContact O-CD2 3.31Å; N2025-F2027 WeakPolarHBondContact O-CD2 3.42Å; N2025-F2027 PolarHBondContact O-N 3.4Å; N2025-F2027 VanDerWaalsContact O-N 3.17Å; N2025-N2039 HydrophobicContact CB-CB 4.45Å; N2025-Q2116 PolarHBondContact ND2-OE1 3.27Å; N2025-Q2116 PolarHBondContact OD1-NE2 3.5Å; N2025-Q2116 PolarHBondContact OD1-OE1 2.94Å
2026G80.5Confident83.5Confident21 Ų2152.3 Ų52.322%0.21628%0.284CS..THydrogen-bonded Turntrans73.8-13.1-174.600000117N1959 V2024N1959-G2026 WeakPolarHBondContact OD1-CA 3.4Å; V2024-G2026 VanDerWaalsContact C-N 3.25Å; V2024-G2026 PolarHBondContact O-N 3.22Å
2027F86.7Confident83.6Confident65 Ų6549.6 Ų49.629%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-84.4123.9178.5-61.5-72.8000111.7Y2023 V2024 N2025 V2029 Q2032 N2035 A2036Y2023-F2027 WeakPolarHBondContact CA-O 3.35Å; V2024-F2027 PolarHBondContact N-O 3.39Å; V2024-F2027 PolarHBondContact O-N 2.89Å; N2025-F2027 VanDerWaalsContact O-CD2 3.31Å; N2025-F2027 WeakPolarHBondContact O-CD2 3.42Å; N2025-F2027 PolarHBondContact O-N 3.4Å; N2025-F2027 VanDerWaalsContact O-N 3.17Å; F2027-V2029 PolarHBondContact O-N 2.88Å; F2027-Q2032 HydrophobicContact CB-CB 4.44Å; F2027-N2035 HydrophobicContact CB-CB 4.26Å; F2027-N2035 HydrophobicContact CD1-CB 3.58Å; F2027-N2035 HydrophobicContact CD2-CB 4.06Å; F2027-N2035 HydrophobicContact CE1-CB 3.89Å; F2027-N2035 WeakPolarHBondContact CE1-ND2 3.5Å; F2027-N2035 HydrophobicContact CE2-CB 4.33Å; F2027-N2035 HydrophobicContact CG-CB 3.67Å; F2027-N2035 HydrophobicContact CZ-CB 4.25Å; F2027-A2036 HydrophobicContact CB-CB 4.11Å
2028N86.2Confident83.3Confident20 Ų2052 Ų5211%0.10728%0.28CS..EExtended strand (participates in β ladder)trans-69.8122.1176.2-176.7-60.8000110.4V2022 Y2023 V2030 T2031 Q2032V2022-N2028 WeakPolarHBondContact O-CA 3.44Å; Y2023-N2028 HydrophobicContact CD1-CB 3.86Å; Y2023-N2028 HydrophobicContact CE1-CB 3.81Å; N2028-V2030 VanDerWaalsContact C-N 3.28Å; N2028-V2030 PolarHBondContact O-N 2.61Å; N2028-V2030 PolarHBondContact OD1-N 3.48Å; N2028-T2031 WeakPolarHBondContact CB-OG1 3.2Å; N2028-T2031 PolarHBondContact O-N 3.45Å; N2028-T2031 PolarHBondContact OD1-N 3.42Å; N2028-Q2032 WeakPolarHBondContact O-CA 3.5Å; N2028-Q2032 WeakPolarHBondContact O-CB 3.44Å; N2028-Q2032 PolarHBondContact O-N 3.27Å
2029V84.3Confident83.3Confident5 Ų552.2 Ų52.23%0.0328%0.278CS..Hα-helixtrans-60.8-36-173.5174.90000112.4I2011 V2022 V2024 F2027 T2033 A2036I2011-V2029 VanDerWaalsContact O-CG1 3.32Å; I2011-V2029 WeakPolarHBondContact O-CG1 3.27Å; V2022-V2029 HydrophobicContact CB-CB 4.18Å; V2022-V2029 HydrophobicContact CB-CG2 3.86Å; V2022-V2029 HydrophobicContact CG1-CG2 3.67Å; V2022-V2029 PolarHBondContact O-N 3.38Å; V2024-V2029 HydrophobicContact CB-CG2 4.5Å; V2024-V2029 HydrophobicContact CG2-CG2 3.76Å; F2027-V2029 PolarHBondContact O-N 2.88Å; V2029-T2033 WeakPolarHBondContact O-CA 3.32Å; V2029-T2033 WeakPolarHBondContact O-CG2 3.15Å; V2029-T2033 PolarHBondContact O-N 3.34Å; V2029-A2036 HydrophobicContact CG2-CB 4.2Å
2030V79.8Confident83.5Confident56 Ų5648.2 Ų48.234%0.33926%0.258SS..Hα-helixtrans-77.4-41.7-173.6179.90000111.6P2017 N2028P2017-V2030 HydrophobicContact CG-CG2 3.9Å; N2028-V2030 VanDerWaalsContact C-N 3.28Å; N2028-V2030 PolarHBondContact O-N 2.61Å; N2028-V2030 PolarHBondContact OD1-N 3.48Å
2031T79.6Confident83.7Confident108 Ų10846.8 Ų46.866%0.66324%0.243SC*.Hα-helixtrans-91.2-31-177.558.90000113.1N2028N2028-T2031 WeakPolarHBondContact CB-OG1 3.2Å; N2028-T2031 PolarHBondContact O-N 3.45Å; N2028-T2031 PolarHBondContact OD1-N 3.42Å
2032Q82.8Confident83.9Confident90 Ų9045.2 Ų45.242%0.42123%0.233SC..Hα-helixtrans-121.725-171.4-64.7172.2-23.800113.5F2027 N2028 K2034 N2035 A2036F2027-Q2032 HydrophobicContact CB-CB 4.44Å; N2028-Q2032 WeakPolarHBondContact O-CA 3.5Å; N2028-Q2032 WeakPolarHBondContact O-CB 3.44Å; N2028-Q2032 PolarHBondContact O-N 3.27Å; Q2032-K2034 VanDerWaalsContact C-N 3.26Å; Q2032-K2034 PolarHBondContact O-N 3.38Å; Q2032-N2035 PolarHBondContact O-N 3.21Å; Q2032-A2036 PolarHBondContact O-N 3.38Å
2033T80.2Confident83.9Confident52 Ų5245 Ų4532%0.31923%0.232SC..Hα-helixtrans-18.4-57.9174.248.30000116V2029 N2035 A2036 L2037V2029-T2033 WeakPolarHBondContact O-CA 3.32Å; V2029-T2033 WeakPolarHBondContact O-CG2 3.15Å; V2029-T2033 PolarHBondContact O-N 3.34Å; T2033-N2035 VanDerWaalsContact C-N 3.33Å; T2033-N2035 PolarHBondContact O-N 3.37Å; T2033-A2036 PolarHBondContact O-N 3.07Å; T2033-L2037 VanDerWaalsContact O-CB 3.31Å; T2033-L2037 WeakPolarHBondContact O-CB 3.23Å; T2033-L2037 WeakPolarHBondContact O-CG 3.33Å; T2033-L2037 PolarHBondContact O-N 3.19Å
2034K77.7Confident83.8Confident170 Ų17043.1 Ų43.174%0.73923%0.226SC*.Hα-helixtrans-62.1-31.9-174.9-65171.3-1741600114.5Q2032 K2038Q2032-K2034 VanDerWaalsContact C-N 3.26Å; Q2032-K2034 PolarHBondContact O-N 3.38Å; K2034-K2038 PolarHBondContact O-N 3.03Å
2035N79.8Confident83.4Confident78 Ų7846 Ų4642%0.41724%0.24SC..Hα-helixtrans-83.2-45.7179.8-69.36.7000110.3F2027 Q2032 T2033 L2037 K2038F2027-N2035 HydrophobicContact CB-CB 4.26Å; F2027-N2035 HydrophobicContact CD1-CB 3.58Å; F2027-N2035 HydrophobicContact CD2-CB 4.06Å; F2027-N2035 HydrophobicContact CE1-CB 3.89Å; F2027-N2035 WeakPolarHBondContact CE1-ND2 3.5Å; F2027-N2035 HydrophobicContact CE2-CB 4.33Å; F2027-N2035 HydrophobicContact CG-CB 3.67Å; F2027-N2035 HydrophobicContact CZ-CB 4.25Å; Q2032-N2035 PolarHBondContact O-N 3.21Å; T2033-N2035 VanDerWaalsContact C-N 3.33Å; T2033-N2035 PolarHBondContact O-N 3.37Å; N2035-L2037 VanDerWaalsContact C-N 3.35Å; N2035-L2037 PolarHBondContact O-N 3.05Å; N2035-K2038 WeakPolarHBondContact O-CB 3.28Å; N2035-K2038 PolarHBondContact O-N 3.44Å
2036A82.4Confident83Confident3 Ų351.6 Ų51.63%0.02526%0.262CS..Hα-helixtrans-54-48.9171.700000111.8V2024 F2027 V2029 Q2032 T2033 K2038 N2039 L2040V2024-A2036 HydrophobicContact CB-CB 4.15Å; F2027-A2036 HydrophobicContact CB-CB 4.11Å; V2029-A2036 HydrophobicContact CG2-CB 4.2Å; Q2032-A2036 PolarHBondContact O-N 3.38Å; T2033-A2036 PolarHBondContact O-N 3.07Å; A2036-K2038 VanDerWaalsContact C-N 3.29Å; A2036-K2038 PolarHBondContact O-N 3.31Å; A2036-N2039 PolarHBondContact O-N 2.91Å; A2036-L2040 WeakPolarHBondContact O-CB 3.31Å; A2036-L2040 PolarHBondContact O-N 3.48Å
2037L82.5Confident82.9Confident38 Ų3852.8 Ų52.820%0.19926%0.264CS..Hα-helixtrans-64.6-26.2-180-71.7170.2000114.1V1676 T2033 N2035 N2039 L2040V1676-L2037 HydrophobicContact CB-CD2 4.44Å; V1676-L2037 HydrophobicContact CG1-CD2 4.13Å; V1676-L2037 HydrophobicContact CG2-CD2 4.26Å; T2033-L2037 VanDerWaalsContact O-CB 3.31Å; T2033-L2037 WeakPolarHBondContact O-CB 3.23Å; T2033-L2037 WeakPolarHBondContact O-CG 3.33Å; T2033-L2037 PolarHBondContact O-N 3.19Å; N2035-L2037 VanDerWaalsContact C-N 3.35Å; N2035-L2037 PolarHBondContact O-N 3.05Å; L2037-N2039 VanDerWaalsContact C-N 3.34Å; L2037-L2040 HydrophobicContact CD2-CD2 4.18Å; L2037-L2040 PolarHBondContact O-N 3Å
2038K78.6Confident82.5Confident78 Ų7849.9 Ų49.934%0.33925%0.252SS..Hα-helixtrans-64.2-40.7175.4-104.1-164.9175.3-166.30112.1L1281 K2034 N2035 A2036 L2040 R2066L1281-K2038 PolarHBondContact O-NZ 2.76Å; K2034-K2038 PolarHBondContact O-N 3.03Å; N2035-K2038 WeakPolarHBondContact O-CB 3.28Å; N2035-K2038 PolarHBondContact O-N 3.44Å; A2036-K2038 VanDerWaalsContact C-N 3.29Å; A2036-K2038 PolarHBondContact O-N 3.31Å; K2038-L2040 VanDerWaalsContact C-N 3.3Å; K2038-R2066 PolarHBondContact O-NH1 2.99Å; K2038-R2066 VanDerWaalsContact O-NH1 3.12Å
2039N83.4Confident82.4Confident46 Ų4649.4 Ų49.425%0.24625%0.249CC..Hα-helixtrans-86.1-3.9-175.1-61.6-6.7000112.8N2025 A2036 L2037 P2115 Q2116 V2117N2025-N2039 HydrophobicContact CB-CB 4.45Å; A2036-N2039 PolarHBondContact O-N 2.91Å; L2037-N2039 VanDerWaalsContact C-N 3.34Å; N2039-P2115 VanDerWaalsContact O-CB 3.26Å; N2039-P2115 WeakPolarHBondContact O-CB 3.32Å; N2039-Q2116 PolarHBondContact O-N 3.18Å; N2039-V2117 PolarHBondContact O-N 2.94Å
2040L88.4Confident82.3Confident2 Ų249.4 Ų49.41%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-100.9139.6-172.9-161.471.1000112.1T2012 V2024 A2036 L2037 K2038 R2066 V2117 L2119T2012-L2040 HydrophobicContact CG2-CD2 4.05Å; V2024-L2040 HydrophobicContact CG1-CD1 4.08Å; A2036-L2040 WeakPolarHBondContact O-CB 3.31Å; A2036-L2040 PolarHBondContact O-N 3.48Å; L2037-L2040 HydrophobicContact CD2-CD2 4.18Å; L2037-L2040 PolarHBondContact O-N 3Å; K2038-L2040 VanDerWaalsContact C-N 3.3Å; L2040-R2066 PolarHBondContact O-NH1 3.03Å; L2040-R2066 PolarHBondContact O-NH2 3.31Å; L2040-V2117 CarbonylContact C-O 3.55Å; L2040-V2117 WeakPolarHBondContact CA-O 3.43Å; L2040-V2117 HydrophobicContact CD1-CB 4.06Å; L2040-V2117 HydrophobicContact CD1-CG1 3.64Å; L2040-L2119 HydrophobicContact CD1-CD1 4.01Å; L2040-L2119 HydrophobicContact CD1-CG 3.93Å; L2040-L2119 HydrophobicContact CD2-CD1 4.06Å; L2040-L2119 HydrophobicContact CG-CD1 4.33Å; L2040-L2119 HydrophobicContact CG-CG 4.46Å
2041G88.9Confident82.3Confident0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-105.7145.3158.700000110A2110 V2117 L2119G2041-A2110 WeakPolarHBondContact CA-O 3.29Å; G2041-V2117 PolarHBondContact N-O 2.97Å; G2041-L2119 PolarHBondContact O-N 3.05Å
2042Y91Very high82.6Confident10 Ų1046 Ų464%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-142.4121.2175.6176.8-132.9000111.7Y1672 F2008 T2012 P2044 L2119 D2121Y1672-Y2042 HydrophobicContact CE1-CD1 4.4Å; Y1672-Y2042 HydrophobicContact CE1-CE1 4.09Å; F2008-Y2042 HydrophobicContact CD2-CE2 4.16Å; T2012-Y2042 HydrophobicContact CG2-CD1 4.04Å; T2012-Y2042 HydrophobicContact CG2-CD2 4.12Å; T2012-Y2042 HydrophobicContact CG2-CE1 4.4Å; T2012-Y2042 HydrophobicContact CG2-CE2 4.48Å; T2012-Y2042 HydrophobicContact CG2-CG 3.89Å; Y2042-P2044 HydrophobicContact CE1-CB 3.84Å; Y2042-P2044 HydrophobicContact CE1-CG 4.47Å; Y2042-P2044 HydrophobicContact CE2-CB 4.45Å; Y2042-L2119 WeakPolarHBondContact CA-O 3.22Å; Y2042-L2119 HydrophobicContact CD2-CB 3.9Å; Y2042-D2121 HydrophobicContact CE2-CB 4.2Å
2043C89.8Confident82.8Confident0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-105.6110.7166.8-176.70000109.1S2106 T2107 A2110 L2119 L2120 D2121C2043-S2106 PolarHBondContact SG-OG 3.38Å; C2043-S2106 VanDerWaalsContact SG-OG 3.38Å; C2043-T2107 HydrophobicContact CB-CG2 4.26Å; C2043-A2110 HydrophobicContact CB-CB 4.07Å; C2043-L2119 PolarHBondContact N-O 2.96Å; C2043-L2120 HydrophobicContact CB-CD2 3.69Å; C2043-D2121 VanDerWaalsContact O-CB 3.28Å; C2043-D2121 WeakPolarHBondContact O-CB 3.38Å; C2043-D2121 PolarHBondContact O-N 3.31Å
2044P86.2Confident83.4Confident18 Ų1839.7 Ų39.712%0.11719%0.192CC..  trans-74.2159.9178.928-33.5000113.8Y2042 F2046 A2048 R2103Y2042-P2044 HydrophobicContact CE1-CB 3.84Å; Y2042-P2044 HydrophobicContact CE1-CG 4.47Å; Y2042-P2044 HydrophobicContact CE2-CB 4.45Å; P2044-F2046 VanDerWaalsContact C-N 3.29Å; P2044-F2046 WeakPolarHBondContact CG-O 3.46Å; P2044-F2046 PolarHBondContact O-N 3.03Å; P2044-A2048 HydrophobicContact CG-CB 3.95Å; P2044-R2103 PolarHBondContact O-NH1 3.39Å
2045Q79.2Confident84Confident61 Ų6131.6 Ų31.629%0.28516%0.157SC..SBendtrans-52.3-42.5177.6-168.5-179.935.800113.6R2103 D2121 E2122Q2045-R2103 PolarHBondContact O-NH1 3.45Å; Q2045-R2103 PolarHBondContact O-NH2 3.21Å; Q2045-D2121 WeakPolarHBondContact CA-O 3.26Å; Q2045-D2121 PolarHBondContact N-OD2 2.91Å; Q2045-E2122 PolarHBondContact NE2-OE2 3.47Å
2046F74.3Confident84.6Confident162 Ų16232.3 Ų32.371%0.71115%0.154SC*.SBendtrans-97.2130.6173.9-61.4-77.1000110.4P2044 A2048P2044-F2046 VanDerWaalsContact C-N 3.29Å; P2044-F2046 WeakPolarHBondContact CG-O 3.46Å; P2044-F2046 PolarHBondContact O-N 3.03Å; F2046-A2048 PolarHBondContact O-N 2.88Å
2047D79.9Confident85.1Confident46 Ų4633.6 Ų33.625%0.24616%0.159CC..  trans-59.897.8179.3-71.1-18.6000111.6V2049 R2102 R2103 S2106D2047-V2049 HydrophobicContact CB-CG2 4.06Å; D2047-V2049 PolarHBondContact O-N 2.87Å; D2047-R2102 HydrophobicContact CB-CB 4.32Å; D2047-R2102 VanDerWaalsContact OD2-CB 3.25Å; D2047-R2102 WeakPolarHBondContact OD2-CB 3.42Å; D2047-R2103 WeakPolarHBondContact OD1-CD 3.32Å; D2047-R2103 IonicContact OD1-CZ 3.26Å; D2047-R2103 IonicContact OD1-NE 2.77Å; D2047-R2103 IonicContact OD1-NH1 2.67Å; D2047-R2103 PolarHBondContact OD1-NH1 2.79Å; D2047-R2103 PolarHBondContact OD2-N 2.7Å; D2047-S2106 WeakPolarHBondContact OD1-CB 3.43Å
2048A78.2Confident85.6Confident4 Ų431.9 Ų31.93%0.03315%0.15CC..  trans-77.834.6-170.900000114I1668 S1670 L1673 P2044 F2046I1668-A2048 VanDerWaalsContact CG2-C 3.43Å; I1668-A2048 HydrophobicContact CG2-CB 4.42Å; I1668-A2048 WeakPolarHBondContact O-CA 3.37Å; I1668-A2048 WeakPolarHBondContact O-CB 3.45Å; S1670-A2048 VanDerWaalsContact CB-O 3.23Å; S1670-A2048 WeakPolarHBondContact CB-O 3.12Å; L1673-A2048 HydrophobicContact CD2-CB 3.98Å; P2044-A2048 HydrophobicContact CG-CB 3.95Å; F2046-A2048 PolarHBondContact O-N 2.88Å
2049V83.8Confident86.2Confident10 Ų1028.2 Ų28.26%0.06113%0.134CC..  trans-95.2147.3-173.8-140.90000111D2047 T2058 T2094 L2105 I2109D2047-V2049 HydrophobicContact CB-CG2 4.06Å; D2047-V2049 PolarHBondContact O-N 2.87Å; V2049-T2058 HydrophobicContact CG1-CG2 3.58Å; V2049-T2094 HydrophobicContact CG1-CG2 4.17Å; V2049-L2105 HydrophobicContact CG1-CD2 3.87Å; V2049-L2105 HydrophobicContact CG1-CG 4.31Å; V2049-I2109 HydrophobicContact CG1-CD1 4.37Å
2050H82.4Confident86.6Confident6 Ų627.3 Ų27.33%0.02813%0.132CC..  trans-94.8113.3-177.7-164.7-51.7000112.5Y1300 F1661 L2052 L2053 T2094Y1300-H2050 AromaticContact CD2-CE1 3.46Å; Y1300-H2050 VanDerWaalsContact CD2-CE1 3.46Å; Y1300-H2050 WeakPolarHBondContact CD2-CE1 3.48Å; Y1300-H2050 AromaticContact CD2-NE2 3.82Å; Y1300-H2050 AromaticContact CE2-CE1 3.63Å; Y1300-H2050 AromaticContact CE2-NE2 3.95Å; F1661-H2050 AromaticContact CD2-NE2 3.69Å; F1661-H2050 AromaticContact CE2-CD2 3.87Å; F1661-H2050 AromaticContact CE2-NE2 3.48Å; F1661-H2050 WeakPolarHBondContact CE2-NE2 3.45Å; H2050-L2052 PolarHBondContact O-N 3.02Å; H2050-L2053 HydrophobicContact CB-CD1 4.24Å; H2050-L2053 PolarHBondContact O-N 3.08Å; H2050-T2094 PolarHBondContact O-OG1 3.11Å
2051D79.5Confident86.8Confident57 Ų5727.6 Ų27.631%0.30513%0.133SC..THydrogen-bonded Turntrans-35.7-15.5179.5-64.8-8.4000120.6K1664 I2093 T2094 S2095K1664-D2051 WeakPolarHBondContact CE-OD2 3.49Å; K1664-D2051 IonicContact NZ-OD2 2.9Å; K1664-D2051 PolarHBondContact NZ-OD2 3.03Å; D2051-I2093 WeakPolarHBondContact O-CG2 3.21Å; D2051-T2094 VanDerWaalsContact C-OG1 3.26Å; D2051-T2094 VanDerWaalsContact CA-OG1 3.23Å; D2051-T2094 WeakPolarHBondContact CA-OG1 3.4Å; D2051-S2095 WeakPolarHBondContact O-CB 3.27Å; D2051-S2095 PolarHBondContact O-N 2.96Å; D2051-S2095 PolarHBondContact O-OG 3.2Å
2052L85.2Confident86.9Confident35 Ų3528 Ų2818%0.18314%0.135CC..THydrogen-bonded Turntrans-121.4-3.8-171.1-69.9-179.3000113.8Y1300 R1303 H2050 I2093Y1300-L2052 HydrophobicContact CD2-CB 4.39Å; Y1300-L2052 HydrophobicContact CD2-CD1 3.8Å; Y1300-L2052 HydrophobicContact CE2-CD1 3.67Å; R1303-L2052 WeakPolarHBondContact CD-O 3.27Å; R1303-L2052 PolarHBondContact NH1-O 3.26Å; H2050-L2052 PolarHBondContact O-N 3.02Å; L2052-I2093 VanDerWaalsContact CA-CG2 3.48Å; L2052-I2093 HydrophobicContact CD2-CG2 4.48Å
2053L88.7Confident86.8Confident8 Ų827.6 Ų27.64%0.04213%0.134CC..SBendtrans-85.4159166.4-61.5174.8000109.6K1296 H1299 H2050 E2057 T2058 T2094K1296-L2053 HydrophobicContact CG-CD1 4.19Å; H1299-L2053 HydrophobicContact CB-CD2 3.81Å; H2050-L2053 HydrophobicContact CB-CD1 4.24Å; H2050-L2053 PolarHBondContact O-N 3.08Å; L2053-E2057 WeakPolarHBondContact CA-OE2 3.46Å; L2053-E2057 HydrophobicContact CB-CB 4.41Å; L2053-E2057 HydrophobicContact CD2-CB 4.49Å; L2053-T2058 WeakPolarHBondContact CB-OG1 3.37Å; L2053-T2094 WeakPolarHBondContact O-CG2 3.43Å; L2053-T2094 PolarHBondContact O-N 3.46Å; L2053-T2094 PolarHBondContact O-OG1 2.93Å
2054T91.3Very high86.8Confident2 Ų229.2 Ų29.21%0.01214%0.14CC..BIsolated β-bridgetrans-84.8167.8164.871.30000111R2056 E2057 T2058 A2090 D2091 R2092T2054-R2056 VanDerWaalsContact C-N 3.33Å; T2054-R2056 PolarHBondContact O-N 3.4Å; T2054-E2057 PolarHBondContact N-OE2 3.44Å; T2054-E2057 PolarHBondContact O-N 3.45Å; T2054-E2057 VanDerWaalsContact OG1-CG 3.3Å; T2054-E2057 WeakPolarHBondContact OG1-CG 3.23Å; T2054-E2057 PolarHBondContact OG1-N 3.1Å; T2054-T2058 WeakPolarHBondContact O-CB 3.3Å; T2054-T2058 PolarHBondContact O-N 2.89Å; T2054-T2058 PolarHBondContact O-OG1 2.97Å; T2054-A2090 VanDerWaalsContact CB-O 3.32Å; T2054-A2090 WeakPolarHBondContact CB-O 3.34Å; T2054-A2090 PolarHBondContact OG1-O 3.18Å; T2054-D2091 VanDerWaalsContact CG2-O 3.31Å; T2054-D2091 WeakPolarHBondContact CG2-O 2.19Å; T2054-R2092 VanDerWaalsContact CA-O 3.27Å; T2054-R2092 WeakPolarHBondContact CA-O 3.38Å; T2054-R2092 WeakPolarHBondContact CB-O 3.41Å
2055G90Very high86.9Confident0 Ų028.4 Ų28.40%013%0.134CC..Hα-helixtrans-57.5-46.4172.800000112.2T2058 L2059 A2090 Y2097G2055-T2058 PolarHBondContact O-N 2.94Å; G2055-L2059 WeakPolarHBondContact O-CG 3.24Å; G2055-L2059 PolarHBondContact O-N 3.13Å; G2055-A2090 PolarHBondContact N-O 3.3Å; G2055-Y2097 WeakPolarHBondContact CA-OH 3.37Å; G2055-Y2097 PolarHBondContact N-OH 2.9Å
2056R93.3Very high87.1Confident92 Ų9226.7 Ų26.735%0.34713%0.125SC..Hα-helixtrans-59.9-48.4178.1-166.3-173.7-56-82.31.4112.6T2054 T2058 L2059 S2060 V2077 L2081 A2090 D2091T2054-R2056 VanDerWaalsContact C-N 3.33Å; T2054-R2056 PolarHBondContact O-N 3.4Å; R2056-T2058 VanDerWaalsContact C-N 3.35Å; R2056-T2058 PolarHBondContact O-N 3.01Å; R2056-L2059 PolarHBondContact O-N 3.26Å; R2056-S2060 WeakPolarHBondContact O-CB 3.44Å; R2056-S2060 PolarHBondContact O-N 2.97Å; R2056-V2077 HydrophobicContact CG-CG1 3.85Å; R2056-L2081 HydrophobicContact CB-CD1 3.95Å; R2056-L2081 HydrophobicContact CG-CD1 3.99Å; R2056-A2090 PolarHBondContact N-O 3.06Å; R2056-D2091 WeakPolarHBondContact CD-OD1 3.46Å; R2056-D2091 IonicContact CZ-OD1 2.81Å; R2056-D2091 IonicContact CZ-OD2 3.02Å; R2056-D2091 IonicContact NE-OD1 2.61Å; R2056-D2091 PolarHBondContact NE-OD1 3.02Å; R2056-D2091 IonicContact NE-OD2 2.69Å; R2056-D2091 PolarHBondContact NE-OD2 3.24Å; R2056-D2091 IonicContact NH2-OD1 2.62Å; R2056-D2091 IonicContact NH2-OD2 2.98Å; R2056-D2091 PolarHBondContact NH2-OD2 3.09Å
2057E92.7Very high87.5Confident31 Ų3119.2 Ų19.215%0.1459%0.094CC..Hα-helixtrans-61.5-44.2178-72.2166.3172.900111.6H1299 R1303 L2053 T2054 S2060 L2061H1299-E2057 IonicContact CE1-OE1 3.13Å; H1299-E2057 PolarHBondContact CE1-OE1 3.12Å; H1299-E2057 VanDerWaalsContact CE1-OE1 3.23Å; H1299-E2057 IonicContact CG-OE1 3.76Å; H1299-E2057 IonicContact ND1-OE1 2.68Å; H1299-E2057 PolarHBondContact ND1-OE1 3.31Å; H1299-E2057 IonicContact ND1-OE2 3.34Å; R1303-E2057 IonicContact CZ-OE1 3.62Å; R1303-E2057 IonicContact CZ-OE2 3.53Å; R1303-E2057 IonicContact NH1-OE1 3.36Å; R1303-E2057 PolarHBondContact NH1-OE1 2.99Å; R1303-E2057 IonicContact NH1-OE2 3.65Å; R1303-E2057 PolarHBondContact NH1-OE2 2.86Å; R1303-E2057 IonicContact NH2-OE1 2.72Å; R1303-E2057 PolarHBondContact NH2-OE1 2.78Å; R1303-E2057 IonicContact NH2-OE2 3.16Å; R1303-E2057 PolarHBondContact NH2-OE2 3.09Å; L2053-E2057 WeakPolarHBondContact CA-OE2 3.46Å; L2053-E2057 HydrophobicContact CB-CB 4.41Å; L2053-E2057 HydrophobicContact CD2-CB 4.49Å; T2054-E2057 PolarHBondContact N-OE2 3.44Å; T2054-E2057 PolarHBondContact O-N 3.45Å; T2054-E2057 VanDerWaalsContact OG1-CG 3.3Å; T2054-E2057 WeakPolarHBondContact OG1-CG 3.23Å; T2054-E2057 PolarHBondContact OG1-N 3.1Å; E2057-S2060 PolarHBondContact O-N 3.01Å; E2057-S2060 PolarHBondContact O-OG 3.4Å; E2057-L2061 PolarHBondContact O-N 2.93Å
2058T92.7Very high87.8Confident1 Ų118.2 Ų18.21%0.0069%0.087CC..Hα-helixtrans-58.8-49.8179.4-58.60000111.1V2049 L2053 T2054 G2055 R2056 S2060 L2061 Y2062 I2109V2049-T2058 HydrophobicContact CG1-CG2 3.58Å; L2053-T2058 WeakPolarHBondContact CB-OG1 3.37Å; T2054-T2058 WeakPolarHBondContact O-CB 3.3Å; T2054-T2058 PolarHBondContact O-N 2.89Å; T2054-T2058 PolarHBondContact O-OG1 2.97Å; G2055-T2058 PolarHBondContact O-N 2.94Å; R2056-T2058 VanDerWaalsContact C-N 3.35Å; R2056-T2058 PolarHBondContact O-N 3.01Å; T2058-S2060 VanDerWaalsContact C-N 3.33Å; T2058-S2060 PolarHBondContact O-N 3.48Å; T2058-L2061 VanDerWaalsContact O-CB 3.29Å; T2058-L2061 WeakPolarHBondContact O-CB 3.32Å; T2058-L2061 PolarHBondContact O-N 3.14Å; T2058-L2061 VanDerWaalsContact O-N 3.17Å; T2058-Y2062 HydrophobicContact CG2-CD2 4.2Å; T2058-Y2062 HydrophobicContact CG2-CE2 4.13Å; T2058-Y2062 WeakPolarHBondContact O-CD2 3.36Å; T2058-Y2062 PolarHBondContact O-N 3.24Å; T2058-I2109 HydrophobicContact CG2-CD1 3.73Å; T2058-I2109 HydrophobicContact CG2-CG1 4.35Å
2059L92.4Very high88.1Confident1 Ų120.6 Ų20.61%0.00510%0.103CC..Hα-helixtrans-64.4-39.4177.9-64.8169.2000111.3G2055 R2056 L2061 Y2062 A2063 V2077 L2080 L2081 L2105 A2108 I2109 I2112G2055-L2059 WeakPolarHBondContact O-CG 3.24Å; G2055-L2059 PolarHBondContact O-N 3.13Å; R2056-L2059 PolarHBondContact O-N 3.26Å; L2059-L2061 PolarHBondContact O-N 3.19Å; L2059-Y2062 PolarHBondContact O-N 3.36Å; L2059-A2063 WeakPolarHBondContact O-CB 3.32Å; L2059-A2063 PolarHBondContact O-N 3.05Å; L2059-V2077 HydrophobicContact CB-CB 4.44Å; L2059-V2077 HydrophobicContact CB-CG1 3.87Å; L2059-V2077 HydrophobicContact CB-CG2 3.87Å; L2059-V2077 HydrophobicContact CD1-CG1 4.38Å; L2059-L2080 HydrophobicContact CD1-CB 4.46Å; L2059-L2081 HydrophobicContact CD1-CD2 3.71Å; L2059-L2081 HydrophobicContact CD1-CG 3.76Å; L2059-L2105 HydrophobicContact CD1-CD1 4.09Å; L2059-L2105 HydrophobicContact CD2-CD1 4Å; L2059-L2105 HydrophobicContact CG-CD1 3.85Å; L2059-A2108 HydrophobicContact CD2-CB 3.67Å; L2059-I2109 HydrophobicContact CD2-CG1 4.13Å; L2059-I2112 HydrophobicContact CB-CD1 4.02Å; L2059-I2112 HydrophobicContact CD2-CD1 3.63Å; L2059-I2112 HydrophobicContact CD2-CG1 4.38Å; L2059-I2112 HydrophobicContact CG-CD1 4.45Å; L2059-I2112 WeakPolarHBondContact O-CD1 3.33Å
2060S91.9Very high88.1Confident28 Ų2823.3 Ų23.320%0.19612%0.115CC..Hα-helixtrans-65.4-21.6175.687.10000114.5R2056 E2057 T2058 R2064R2056-S2060 WeakPolarHBondContact O-CB 3.44Å; R2056-S2060 PolarHBondContact O-N 2.97Å; E2057-S2060 PolarHBondContact O-N 3.01Å; E2057-S2060 PolarHBondContact O-OG 3.4Å; T2058-S2060 VanDerWaalsContact C-N 3.33Å; T2058-S2060 PolarHBondContact O-N 3.48Å; S2060-R2064 WeakPolarHBondContact O-CG 3.43Å; S2060-R2064 PolarHBondContact O-NH1 3.11Å; S2060-R2064 PolarHBondContact OG-NH1 2.92Å
2061L91.2Very high88.3Confident8 Ų830.4 Ų30.44%0.04215%0.153CC..Hα-helixtrans-72.3-54.8172.2-177.789.5000109.8A1292 K1296 E2057 T2058 L2059 A2063 R2064 L2065A1292-L2061 HydrophobicContact CB-CD1 4.2Å; A1292-L2061 VanDerWaalsContact O-CD1 3.27Å; A1292-L2061 WeakPolarHBondContact O-CD1 3.49Å; K1296-L2061 HydrophobicContact CB-CD1 3.7Å; K1296-L2061 HydrophobicContact CD-CD1 4.15Å; K1296-L2061 HydrophobicContact CD-CD2 3.97Å; K1296-L2061 HydrophobicContact CG-CD1 3.99Å; K1296-L2061 HydrophobicContact CG-CD2 4.36Å; E2057-L2061 PolarHBondContact O-N 2.93Å; T2058-L2061 VanDerWaalsContact O-CB 3.29Å; T2058-L2061 WeakPolarHBondContact O-CB 3.32Å; T2058-L2061 PolarHBondContact O-N 3.14Å; T2058-L2061 VanDerWaalsContact O-N 3.17Å; L2059-L2061 PolarHBondContact O-N 3.19Å; L2061-A2063 VanDerWaalsContact C-N 3.33Å; L2061-A2063 PolarHBondContact O-N 3.28Å; L2061-R2064 PolarHBondContact O-N 3.48Å; L2061-R2064 VanDerWaalsContact O-N 3.15Å; L2061-L2065 HydrophobicContact CD2-CD1 4.43Å; L2061-L2065 HydrophobicContact CG-CD1 4.32Å; L2061-L2065 WeakPolarHBondContact O-CG 3.25Å; L2061-L2065 PolarHBondContact O-N 3.29Å
2062Y90.7Very high88.7Confident7 Ų731.4 Ų31.43%0.02716%0.156CC..Hα-helixtrans-68.2-31.8-175.3-74.4-76.6000112.5L1673 Q1674 S1677 T2058 L2059 L2065 R2066 I2109L1673-Y2062 HydrophobicContact CD2-CE1 4.3Å; L1673-Y2062 HydrophobicContact CG-CE1 4.03Å; Q1674-Y2062 HydrophobicContact CG-CE1 4.02Å; S1677-Y2062 VanDerWaalsContact OG-CD1 3.32Å; S1677-Y2062 WeakPolarHBondContact OG-CD1 3.38Å; T2058-Y2062 HydrophobicContact CG2-CD2 4.2Å; T2058-Y2062 HydrophobicContact CG2-CE2 4.13Å; T2058-Y2062 WeakPolarHBondContact O-CD2 3.36Å; T2058-Y2062 PolarHBondContact O-N 3.24Å; L2059-Y2062 PolarHBondContact O-N 3.36Å; Y2062-L2065 HydrophobicContact CD1-CD1 4.13Å; Y2062-L2065 HydrophobicContact CE1-CD1 4.29Å; Y2062-L2065 PolarHBondContact O-N 3.35Å; Y2062-R2066 PolarHBondContact O-N 2.91Å; Y2062-I2109 HydrophobicContact CD1-CG2 3.74Å; Y2062-I2109 HydrophobicContact CD2-CB 4.41Å; Y2062-I2109 HydrophobicContact CD2-CD1 3.92Å; Y2062-I2109 HydrophobicContact CD2-CG1 3.8Å; Y2062-I2109 HydrophobicContact CD2-CG2 3.7Å; Y2062-I2109 HydrophobicContact CE1-CG2 4.07Å; Y2062-I2109 HydrophobicContact CE2-CD1 3.81Å; Y2062-I2109 HydrophobicContact CE2-CG1 4.21Å; Y2062-I2109 HydrophobicContact CE2-CG2 4.05Å; Y2062-I2109 HydrophobicContact CG-CG1 4.38Å; Y2062-I2109 HydrophobicContact CG-CG2 3.55Å
2063A89.7Confident88.9Confident2 Ų230 Ų302%0.01715%0.148CC..Hα-helixtrans-60.2-43.4169.300000112.8L2059 L2061 L2065 G2067 F2068 I2073L2059-A2063 WeakPolarHBondContact O-CB 3.32Å; L2059-A2063 PolarHBondContact O-N 3.05Å; L2061-A2063 VanDerWaalsContact C-N 3.33Å; L2061-A2063 PolarHBondContact O-N 3.28Å; A2063-L2065 VanDerWaalsContact C-N 3.35Å; A2063-G2067 PolarHBondContact O-N 3.43Å; A2063-F2068 HydrophobicContact CB-CD2 4.05Å; A2063-F2068 PolarHBondContact O-N 3.31Å; A2063-I2073 HydrophobicContact CB-CD1 4.46Å; A2063-I2073 HydrophobicContact CB-CG1 4.26Å; A2063-I2073 HydrophobicContact CB-CG2 3.93Å
2064R89.9Confident88.9Confident35 Ų3533.6 Ų33.613%0.13217%0.174CC..Hα-helixtrans-66.9-32.9174-73.9-175.3-177.986.6-3.2113.1A1292 S2060 L2061 E2070 I2073A1292-R2064 HydrophobicContact CB-CB 3.82Å; S2060-R2064 WeakPolarHBondContact O-CG 3.43Å; S2060-R2064 PolarHBondContact O-NH1 3.11Å; S2060-R2064 PolarHBondContact OG-NH1 2.92Å; L2061-R2064 PolarHBondContact O-N 3.48Å; L2061-R2064 VanDerWaalsContact O-N 3.15Å; R2064-E2070 IonicContact CZ-OE1 3.33Å; R2064-E2070 IonicContact NE-OE1 2.7Å; R2064-E2070 PolarHBondContact NE-OE1 2.74Å; R2064-E2070 IonicContact NH2-OE1 3.44Å; R2064-E2070 PolarHBondContact NH2-OE1 2.93Å; R2064-I2073 HydrophobicContact CB-CD1 4.43Å; R2064-I2073 HydrophobicContact CG-CD1 3.45Å; R2064-I2073 VanDerWaalsContact CG-CD1 3.45Å
2065L87.4Confident88.9Confident0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-70.7-41.9178.8-69.1177.9000112P1284 A1292 Q1674 S1677 L1679 L2061 Y2062 A2063 G2067P1284-L2065 VanDerWaalsContact CB-O 3.24Å; P1284-L2065 WeakPolarHBondContact CB-O 3.48Å; P1284-L2065 WeakPolarHBondContact CG-O 3.49Å; A1292-L2065 HydrophobicContact CB-CD2 4.27Å; Q1674-L2065 HydrophobicContact CB-CD1 4.07Å; Q1674-L2065 HydrophobicContact CG-CD1 3.77Å; S1677-L2065 CarbonylContact O-C 3.49Å; S1677-L2065 VanDerWaalsContact O-C 3.24Å; S1677-L2065 VanDerWaalsContact O-O 3.12Å; L1679-L2065 HydrophobicContact CB-CD2 4.26Å; L1679-L2065 HydrophobicContact CD1-CD2 4.12Å; L2061-L2065 HydrophobicContact CD2-CD1 4.43Å; L2061-L2065 HydrophobicContact CG-CD1 4.32Å; L2061-L2065 WeakPolarHBondContact O-CG 3.25Å; L2061-L2065 PolarHBondContact O-N 3.29Å; Y2062-L2065 HydrophobicContact CD1-CD1 4.13Å; Y2062-L2065 HydrophobicContact CE1-CD1 4.29Å; Y2062-L2065 PolarHBondContact O-N 3.35Å; A2063-L2065 VanDerWaalsContact C-N 3.35Å; L2065-G2067 VanDerWaalsContact C-N 3.33Å; L2065-G2067 PolarHBondContact O-N 2.92Å
2066R84.8Confident88.8Confident25 Ų2542 Ų429%0.09421%0.213CC..Hα-helixtrans-66.5-30.5173.5-77.3-152-172.1-117.36.8113.6L1281 K2038 L2040 Y2062 A2110 I2112L1281-R2066 HydrophobicContact CD2-CB 4.47Å; K2038-R2066 PolarHBondContact O-NH1 2.99Å; K2038-R2066 VanDerWaalsContact O-NH1 3.12Å; L2040-R2066 PolarHBondContact O-NH1 3.03Å; L2040-R2066 PolarHBondContact O-NH2 3.31Å; Y2062-R2066 PolarHBondContact O-N 2.91Å; R2066-A2110 PolarHBondContact NH2-O 2.94Å; R2066-I2112 WeakPolarHBondContact CD-O 3.24Å; R2066-I2112 HydrophobicContact CG-CG2 4.31Å; R2066-I2112 VanDerWaalsContact CZ-O 3.24Å; R2066-I2112 PolarHBondContact NE-O 3.36Å; R2066-I2112 PolarHBondContact NH2-O 3.46Å
2067G82.2Confident88.8Confident5 Ų537.8 Ų37.85%0.05220%0.198CC..THydrogen-bonded Turntrans113.524.9172.400000116.3A2063 L2065A2063-G2067 PolarHBondContact O-N 3.43Å; L2065-G2067 VanDerWaalsContact C-N 3.33Å; L2065-G2067 PolarHBondContact O-N 2.92Å
2068F85.3Confident88.7Confident25 Ų2538.6 Ų38.611%0.1121%0.207CC..  trans-57.9144.9173-83.8-90.6000112.2Q1288 A2063 I2073 T2076 I2112Q1288-F2068 PolarHBondContact NE2-O 3.16Å; A2063-F2068 HydrophobicContact CB-CD2 4.05Å; A2063-F2068 PolarHBondContact O-N 3.31Å; F2068-I2073 HydrophobicContact CB-CD1 4.11Å; F2068-I2073 HydrophobicContact CB-CG1 3.65Å; F2068-T2076 HydrophobicContact CE1-CG2 4.26Å; F2068-T2076 HydrophobicContact CZ-CG2 4.21Å; F2068-I2112 HydrophobicContact CE2-CG2 4.31Å
2069P85Confident88.6Confident55 Ų5543.3 Ų43.336%0.35723%0.229SC..  trans-66.1139.5169.830.7-35000109.7N2071 E2072P2069-N2071 PolarHBondContact O-N 3.04Å; P2069-E2072 WeakPolarHBondContact CD-OE2 3.41Å; P2069-E2072 HydrophobicContact CG-CB 4.22Å; P2069-E2072 HydrophobicContact CG-CG 3.87Å; P2069-E2072 WeakPolarHBondContact CG-OE2 3.01Å; P2069-E2072 PolarHBondContact O-N 3.36Å; P2069-E2072 VanDerWaalsContact O-N 3.07Å
2070E84.4Confident88.5Confident66 Ų6644.2 Ų44.231%0.30823%0.234SC..THydrogen-bonded Turntrans-69.1-16.6-161-163.8157.3-151.800114.5K1291 R2064 I2073K1291-E2070 VanDerWaalsContact CE-OE1 3.25Å; K1291-E2070 WeakPolarHBondContact CE-OE1 3.34Å; K1291-E2070 IonicContact NZ-OE1 3.31Å; K1291-E2070 PolarHBondContact NZ-OE1 2.84Å; K1291-E2070 IonicContact NZ-OE2 3.79Å; K1291-E2070 PolarHBondContact NZ-OE2 3.42Å; R2064-E2070 IonicContact CZ-OE1 3.33Å; R2064-E2070 IonicContact NE-OE1 2.7Å; R2064-E2070 PolarHBondContact NE-OE1 2.74Å; R2064-E2070 IonicContact NH2-OE1 3.44Å; R2064-E2070 PolarHBondContact NH2-OE1 2.93Å; E2070-I2073 HydrophobicContact CG-CD1 4.43Å
2071N86.6Confident88.5Confident155 Ų15543 Ų4383%0.82923%0.225SC*.THydrogen-bonded Turntrans-74.4-29.8175.2-62.71.9000113.2P2069 S2074P2069-N2071 PolarHBondContact O-N 3.04Å; N2071-S2074 PolarHBondContact O-OG 3.47Å
2072E87.1Confident88.4Confident78 Ų7849.4 Ų49.436%0.36426%0.255SS..THydrogen-bonded Turntrans-83.9-27.1-176.7-68.4177.1175.300112.6P2069 S2074 K2075 T2076P2069-E2072 WeakPolarHBondContact CD-OE2 3.41Å; P2069-E2072 HydrophobicContact CG-CB 4.22Å; P2069-E2072 HydrophobicContact CG-CG 3.87Å; P2069-E2072 WeakPolarHBondContact CG-OE2 3.01Å; P2069-E2072 PolarHBondContact O-N 3.36Å; P2069-E2072 VanDerWaalsContact O-N 3.07Å; E2072-S2074 PolarHBondContact O-N 2.91Å; E2072-S2074 VanDerWaalsContact O-N 3.11Å; E2072-K2075 WeakPolarHBondContact O-CB 3.35Å; E2072-K2075 PolarHBondContact O-N 3.13Å; E2072-T2076 PolarHBondContact O-N 3.19Å; E2072-T2076 PolarHBondContact O-OG1 3.26Å
2073I89.3Confident88.3Confident5 Ų553.1 Ų53.13%0.02628%0.275CS..Hα-helixtrans-54.6-37.8-170.8-64-178.4000112.4A2063 R2064 F2068 E2070 V2077A2063-I2073 HydrophobicContact CB-CD1 4.46Å; A2063-I2073 HydrophobicContact CB-CG1 4.26Å; A2063-I2073 HydrophobicContact CB-CG2 3.93Å; R2064-I2073 HydrophobicContact CB-CD1 4.43Å; R2064-I2073 HydrophobicContact CG-CD1 3.45Å; R2064-I2073 VanDerWaalsContact CG-CD1 3.45Å; F2068-I2073 HydrophobicContact CB-CD1 4.11Å; F2068-I2073 HydrophobicContact CB-CG1 3.65Å; E2070-I2073 HydrophobicContact CG-CD1 4.43Å; I2073-V2077 HydrophobicContact CG2-CG2 4.18Å; I2073-V2077 WeakPolarHBondContact O-CB 3.45Å; I2073-V2077 WeakPolarHBondContact O-CG2 3.31Å; I2073-V2077 PolarHBondContact O-N 3.34Å; I2073-V2077 VanDerWaalsContact O-N 3.09Å
2074S89.7Confident88.2Confident85 Ų8553.2 Ų53.259%0.59428%0.275SS*.Hα-helixtrans-60.8-50176.249.10000111.7N2071 E2072 V2077 S2078N2071-S2074 PolarHBondContact O-OG 3.47Å; E2072-S2074 PolarHBondContact O-N 2.91Å; E2072-S2074 VanDerWaalsContact O-N 3.11Å; S2074-V2077 PolarHBondContact O-N 2.66Å; S2074-S2078 PolarHBondContact O-N 2.84Å; S2074-S2078 PolarHBondContact O-OG 3.4Å
2075K89.9Confident88Confident147 Ų14753 Ų5364%0.63928%0.284SS*.Hα-helixtrans-63-52.9-178.3-169.4-179.9179.9-175.20111.4E2072 V2077 S2078 E2079E2072-K2075 WeakPolarHBondContact O-CB 3.35Å; E2072-K2075 PolarHBondContact O-N 3.13Å; K2075-V2077 VanDerWaalsContact C-N 3.26Å; K2075-V2077 PolarHBondContact O-N 2.99Å; K2075-S2078 WeakPolarHBondContact CA-OG 3.12Å; K2075-S2078 PolarHBondContact O-N 3Å; K2075-S2078 PolarHBondContact O-OG 3.48Å; K2075-E2079 WeakPolarHBondContact O-CB 3.3Å; K2075-E2079 PolarHBondContact O-N 2.86Å
2076T89.6Confident88.1Confident30 Ų3053 Ų5318%0.18428%0.284CS..Hα-helixtrans-61.8-34.3179.9-36.90000112F2068 E2072 L2080F2068-T2076 HydrophobicContact CE1-CG2 4.26Å; F2068-T2076 HydrophobicContact CZ-CG2 4.21Å; E2072-T2076 PolarHBondContact O-N 3.19Å; E2072-T2076 PolarHBondContact O-OG1 3.26Å; T2076-L2080 HydrophobicContact CG2-CD1 4.34Å; T2076-L2080 WeakPolarHBondContact O-CB 3.34Å; T2076-L2080 WeakPolarHBondContact O-CG 3.34Å; T2076-L2080 PolarHBondContact O-N 2.84Å
2077V92.3Very high88.2Confident5 Ų555.1 Ų55.13%0.0330%0.302CS..Hα-helixtrans-72.5-39.6176.8168.80000112.1R2056 L2059 I2073 S2074 K2075 E2079 L2081R2056-V2077 HydrophobicContact CG-CG1 3.85Å; L2059-V2077 HydrophobicContact CB-CB 4.44Å; L2059-V2077 HydrophobicContact CB-CG1 3.87Å; L2059-V2077 HydrophobicContact CB-CG2 3.87Å; L2059-V2077 HydrophobicContact CD1-CG1 4.38Å; I2073-V2077 HydrophobicContact CG2-CG2 4.18Å; I2073-V2077 WeakPolarHBondContact O-CB 3.45Å; I2073-V2077 WeakPolarHBondContact O-CG2 3.31Å; I2073-V2077 PolarHBondContact O-N 3.34Å; I2073-V2077 VanDerWaalsContact O-N 3.09Å; S2074-V2077 PolarHBondContact O-N 2.66Å; K2075-V2077 VanDerWaalsContact C-N 3.26Å; K2075-V2077 PolarHBondContact O-N 2.99Å; V2077-E2079 VanDerWaalsContact C-N 3.35Å; V2077-L2081 HydrophobicContact CG1-CD1 3.9Å; V2077-L2081 HydrophobicContact CG1-CG 4.43Å; V2077-L2081 WeakPolarHBondContact O-CB 2.26Å; V2077-L2081 WeakPolarHBondContact O-CD1 3.36Å; V2077-L2081 WeakPolarHBondContact O-CG 3.39Å; V2077-L2081 PolarHBondContact O-N 2.89Å
2078S91.7Very high88.3Confident48 Ų4858 Ų5834%0.33632%0.321SS..Hα-helixtrans-62.8-42172.635.90000112.4S2074 K2075 L2081 Q2082S2074-S2078 PolarHBondContact O-N 2.84Å; S2074-S2078 PolarHBondContact O-OG 3.4Å; K2075-S2078 WeakPolarHBondContact CA-OG 3.12Å; K2075-S2078 PolarHBondContact O-N 3Å; K2075-S2078 PolarHBondContact O-OG 3.48Å; S2078-L2081 PolarHBondContact O-N 3.21Å; S2078-Q2082 WeakPolarHBondContact O-CB 3.41Å; S2078-Q2082 PolarHBondContact O-N 3.28Å
2079E90Very high88.2Confident100 Ų10061.1 Ų61.147%0.46733%0.332SS..Hα-helixtrans-62.2-48179.3-163166-121.100111K2075 V2077 L2081 Q2082 N2083K2075-E2079 WeakPolarHBondContact O-CB 3.3Å; K2075-E2079 PolarHBondContact O-N 2.86Å; V2077-E2079 VanDerWaalsContact C-N 3.35Å; E2079-L2081 PolarHBondContact O-N 2.8Å; E2079-Q2082 PolarHBondContact O-N 3.14Å; E2079-N2083 VanDerWaalsContact O-CG 3.27Å; E2079-N2083 PolarHBondContact O-N 3.29Å; E2079-N2083 PolarHBondContact O-OD1 3.01Å
2080L90.1Very high88.3Confident20 Ų2058.5 Ų58.511%0.10532%0.316CS..Hα-helixtrans-62.8-37.7172.9-80.6162.3000113.8L2059 T2076 Q2082 M2084 I2111 I2112L2059-L2080 HydrophobicContact CD1-CB 4.46Å; T2076-L2080 HydrophobicContact CG2-CD1 4.34Å; T2076-L2080 WeakPolarHBondContact O-CB 3.34Å; T2076-L2080 WeakPolarHBondContact O-CG 3.34Å; T2076-L2080 PolarHBondContact O-N 2.84Å; L2080-Q2082 VanDerWaalsContact C-N 3.31Å; L2080-M2084 VanDerWaalsContact O-CB 3.3Å; L2080-M2084 WeakPolarHBondContact O-CB 3.47Å; L2080-M2084 VanDerWaalsContact O-CG 3.29Å; L2080-M2084 WeakPolarHBondContact O-CG 3.31Å; L2080-M2084 PolarHBondContact O-N 3.44Å; L2080-I2111 HydrophobicContact CD2-CB 4.42Å; L2080-I2111 HydrophobicContact CD2-CG2 3.95Å; L2080-I2112 HydrophobicContact CD1-CD1 4.34Å; L2080-I2112 HydrophobicContact CD1-CG1 3.43Å; L2080-I2112 VanDerWaalsContact CD1-CG1 3.43Å
2081L91.9Very high88.5Confident2 Ų260 Ų601%0.0133%0.326CS..Hα-helixtrans-67.5-32.1176.3-77.3166.6000112.6R2056 L2059 V2077 S2078 E2079 L2086 S2087 A2090R2056-L2081 HydrophobicContact CB-CD1 3.95Å; R2056-L2081 HydrophobicContact CG-CD1 3.99Å; L2059-L2081 HydrophobicContact CD1-CD2 3.71Å; L2059-L2081 HydrophobicContact CD1-CG 3.76Å; V2077-L2081 HydrophobicContact CG1-CD1 3.9Å; V2077-L2081 HydrophobicContact CG1-CG 4.43Å; V2077-L2081 WeakPolarHBondContact O-CB 2.26Å; V2077-L2081 WeakPolarHBondContact O-CD1 3.36Å; V2077-L2081 WeakPolarHBondContact O-CG 3.39Å; V2077-L2081 PolarHBondContact O-N 2.89Å; S2078-L2081 PolarHBondContact O-N 3.21Å; E2079-L2081 PolarHBondContact O-N 2.8Å; L2081-L2086 HydrophobicContact CD2-CB 3.9Å; L2081-L2086 CarbonylContact O-C 3.56Å; L2081-L2086 PolarHBondContact O-N 2.92Å; L2081-S2087 PolarHBondContact O-N 3.23Å; L2081-A2090 HydrophobicContact CD1-CB 3.71Å; L2081-A2090 HydrophobicContact CD2-CB 3.84Å; L2081-A2090 HydrophobicContact CG-CB 4.31Å
2082Q90Very high88.4Confident142 Ų14259.8 Ų59.866%0.66431%0.313SS*.Hα-helixtrans-74.3-53.1176.4-175.4166.7-9.100110.6S2078 E2079 L2080 M2084 G2085S2078-Q2082 WeakPolarHBondContact O-CB 3.41Å; S2078-Q2082 PolarHBondContact O-N 3.28Å; E2079-Q2082 PolarHBondContact O-N 3.14Å; L2080-Q2082 VanDerWaalsContact C-N 3.31Å; Q2082-M2084 VanDerWaalsContact C-N 3.33Å; Q2082-M2084 PolarHBondContact O-N 3.47Å; Q2082-G2085 PolarHBondContact O-N 3.41Å
2083N87.6Confident88.5Confident86 Ų8658.9 Ų58.946%0.4631%0.31SS..Hα-helixtrans-58.4-43.8-179.7-667.3000111.8E2079 G2085 F2134 Q2138E2079-N2083 VanDerWaalsContact O-CG 3.27Å; E2079-N2083 PolarHBondContact O-N 3.29Å; E2079-N2083 PolarHBondContact O-OD1 3.01Å; N2083-G2085 PolarHBondContact O-N 2.83Å; N2083-F2134 WeakPolarHBondContact O-CZ 3.17Å; N2083-Q2138 VanDerWaalsContact O-CD 3.28Å; N2083-Q2138 PolarHBondContact O-OE1 3.49Å; N2083-Q2138 VanDerWaalsContact O-OE1 3.13Å
2084M88.7Confident88.2Confident3 Ų358.8 Ų58.82%0.01531%0.31CS..THydrogen-bonded Turntrans-80.67.3178.8-58.7-63.4-6900114L2080 Q2082 L2086 K2104 T2107 A2108 I2111 F2134 M2135 Q2138L2080-M2084 VanDerWaalsContact O-CB 3.3Å; L2080-M2084 WeakPolarHBondContact O-CB 3.47Å; L2080-M2084 VanDerWaalsContact O-CG 3.29Å; L2080-M2084 WeakPolarHBondContact O-CG 3.31Å; L2080-M2084 PolarHBondContact O-N 3.44Å; Q2082-M2084 VanDerWaalsContact C-N 3.33Å; Q2082-M2084 PolarHBondContact O-N 3.47Å; M2084-L2086 HydrophobicContact CB-CD1 4.37Å; M2084-L2086 HydrophobicContact CB-CG 4.44Å; M2084-L2086 PolarHBondContact O-N 3.05Å; M2084-K2104 HydrophobicContact CE-CB 4.4Å; M2084-K2104 VanDerWaalsContact CE-O 3.24Å; M2084-K2104 WeakPolarHBondContact CE-O 3.43Å; M2084-T2107 WeakPolarHBondContact CE-OG1 3.32Å; M2084-A2108 HydrophobicContact CG-CB 3.96Å; M2084-I2111 HydrophobicContact CE-CD1 4.22Å; M2084-I2111 HydrophobicContact SD-CD1 4.01Å; M2084-F2134 VanDerWaalsContact C-CZ 3.41Å; M2084-F2134 WeakPolarHBondContact O-CE1 3.41Å; M2084-M2135 HydrophobicContact CE-CE 4.05Å; M2084-M2135 HydrophobicContact CE-SD 3.71Å; M2084-Q2138 HydrophobicContact SD-CB 4.27Å; M2084-Q2138 HydrophobicContact SD-CG 4.12Å
2085G84.8Confident87.6Confident31 Ų3157.6 Ų57.632%0.3230%0.302SS..THydrogen-bonded Turntrans6621.5174.900000114.5Q2082 N2083Q2082-G2085 PolarHBondContact O-N 3.41Å; N2083-G2085 PolarHBondContact O-N 2.83Å
2086L88.8Confident87Confident0 Ų054.2 Ų54.20%030%0.301CS..  trans-98.5-7.8-175.1-71.6176.6000113.7L2081 M2084 Y2089 A2090 Y2097 N2101 K2104 L2105L2081-L2086 HydrophobicContact CD2-CB 3.9Å; L2081-L2086 CarbonylContact O-C 3.56Å; L2081-L2086 PolarHBondContact O-N 2.92Å; M2084-L2086 HydrophobicContact CB-CD1 4.37Å; M2084-L2086 HydrophobicContact CB-CG 4.44Å; M2084-L2086 PolarHBondContact O-N 3.05Å; L2086-Y2089 CarbonylContact O-C 3.59Å; L2086-Y2089 WeakPolarHBondContact O-CA 3.05Å; L2086-Y2089 PolarHBondContact O-N 2.88Å; L2086-A2090 PolarHBondContact O-N 2.8Å; L2086-Y2097 HydrophobicContact CD2-CE2 4.01Å; L2086-N2101 HydrophobicContact CD2-CB 4.05Å; L2086-K2104 HydrophobicContact CD1-CB 4.17Å; L2086-K2104 HydrophobicContact CD2-CB 4.29Å; L2086-K2104 HydrophobicContact CG-CB 4.31Å; L2086-L2105 HydrophobicContact CD1-CB 3.86Å; L2086-L2105 HydrophobicContact CD1-CD1 4.15Å
2087S87.1Confident86.6Confident69 Ų6953.1 Ų53.148%0.48329%0.294SS..G310 helixtrans-43.4-53-179.5-1650000115.2L2081 Y2089 A2090L2081-S2087 PolarHBondContact O-N 3.23Å; S2087-Y2089 PolarHBondContact O-N 3.24Å; S2087-Y2089 VanDerWaalsContact O-N 3.08Å; S2087-A2090 VanDerWaalsContact O-CB 3.27Å; S2087-A2090 WeakPolarHBondContact O-CB 3.49Å; S2087-A2090 PolarHBondContact O-N 3.24Å; S2087-A2090 VanDerWaalsContact O-N 3.09Å
2088P84.1Confident85.8Confident67 Ų6755.8 Ų55.844%0.43531%0.312SS..G310 helixtrans-68.2-9.5179.528.2-36.6000114.8
2089Y84.8Confident85Confident89 Ų8955.4 Ų55.435%0.34932%0.316SS..G310 helixtrans-109.7-8175.6-56.2-70000113L2086 S2087 D2091 R2092 Y2097 N2101L2086-Y2089 CarbonylContact O-C 3.59Å; L2086-Y2089 WeakPolarHBondContact O-CA 3.05Å; L2086-Y2089 PolarHBondContact O-N 2.88Å; S2087-Y2089 PolarHBondContact O-N 3.24Å; S2087-Y2089 VanDerWaalsContact O-N 3.08Å; Y2089-D2091 VanDerWaalsContact C-N 3.26Å; Y2089-D2091 PolarHBondContact O-N 2.84Å; Y2089-R2092 WeakPolarHBondContact O-CB 3.37Å; Y2089-R2092 PolarHBondContact O-N 3.43Å; Y2089-Y2097 WeakPolarHBondContact O-CE1 2.26Å; Y2089-Y2097 PolarHBondContact O-OH 3.38Å; Y2089-N2101 WeakPolarHBondContact CD2-ND2 3.27Å; Y2089-N2101 WeakPolarHBondContact CE2-ND2 2.2Å
2090A86Confident84.5Confident1 Ų150.9 Ų50.91%0.00830%0.296CS..THydrogen-bonded Turntrans-52.8-36.5-162.700000115.4T2054 G2055 R2056 L2081 L2086 S2087T2054-A2090 VanDerWaalsContact CB-O 3.32Å; T2054-A2090 WeakPolarHBondContact CB-O 3.34Å; T2054-A2090 PolarHBondContact OG1-O 3.18Å; G2055-A2090 PolarHBondContact N-O 3.3Å; R2056-A2090 PolarHBondContact N-O 3.06Å; L2081-A2090 HydrophobicContact CD1-CB 3.71Å; L2081-A2090 HydrophobicContact CD2-CB 3.84Å; L2081-A2090 HydrophobicContact CG-CB 4.31Å; L2086-A2090 PolarHBondContact O-N 2.8Å; S2087-A2090 VanDerWaalsContact O-CB 3.27Å; S2087-A2090 WeakPolarHBondContact O-CB 3.49Å; S2087-A2090 PolarHBondContact O-N 3.24Å; S2087-A2090 VanDerWaalsContact O-N 3.09Å
2091D88.3Confident84.3Confident98 Ų9851.1 Ų51.152%0.52430%0.298SS..THydrogen-bonded Turntrans-104.65.7-177.7-59.1-61.7000113.2T2054 R2056 Y2089T2054-D2091 VanDerWaalsContact CG2-O 3.31Å; T2054-D2091 WeakPolarHBondContact CG2-O 2.19Å; R2056-D2091 WeakPolarHBondContact CD-OD1 3.46Å; R2056-D2091 IonicContact CZ-OD1 2.81Å; R2056-D2091 IonicContact CZ-OD2 3.02Å; R2056-D2091 IonicContact NE-OD1 2.61Å; R2056-D2091 PolarHBondContact NE-OD1 3.02Å; R2056-D2091 IonicContact NE-OD2 2.69Å; R2056-D2091 PolarHBondContact NE-OD2 3.24Å; R2056-D2091 IonicContact NH2-OD1 2.62Å; R2056-D2091 IonicContact NH2-OD2 2.98Å; R2056-D2091 PolarHBondContact NH2-OD2 3.09Å; Y2089-D2091 VanDerWaalsContact C-N 3.26Å; Y2089-D2091 PolarHBondContact O-N 2.84Å
2092R85.8Confident84Confident149 Ų14955.5 Ų55.556%0.56231%0.314SS*.SBendtrans-79.5157163.2-59.2-168.7-173.6-169.8-0.2110.1T2054 Y2089 Y2097T2054-R2092 VanDerWaalsContact CA-O 3.27Å; T2054-R2092 WeakPolarHBondContact CA-O 3.38Å; T2054-R2092 WeakPolarHBondContact CB-O 3.41Å; Y2089-R2092 WeakPolarHBondContact O-CB 3.37Å; Y2089-R2092 PolarHBondContact O-N 3.43Å; R2092-Y2097 HydrophobicContact CB-CE1 4.23Å
2093I87.4Confident83.8Confident59 Ų5949 Ų4930%0.30328%0.283SS..BIsolated β-bridgetrans-76138-179.9-34.8-179.3000110D2051 L2052 S2095 A2096 Y2097D2051-I2093 WeakPolarHBondContact O-CG2 3.21Å; L2052-I2093 VanDerWaalsContact CA-CG2 3.48Å; L2052-I2093 HydrophobicContact CD2-CG2 4.48Å; I2093-S2095 PolarHBondContact O-N 3.19Å; I2093-S2095 VanDerWaalsContact O-N 3.17Å; I2093-A2096 WeakPolarHBondContact O-CB 3.47Å; I2093-A2096 PolarHBondContact O-N 3.27Å; I2093-Y2097 WeakPolarHBondContact O-CD1 3.3Å
2094T84.8Confident83.9Confident4 Ų445.9 Ų45.93%0.02527%0.266CS..G310 helixtrans-58-28.2-177.9490000114.8V2049 H2050 D2051 L2053 A2096 Y2097 L2105V2049-T2094 HydrophobicContact CG1-CG2 4.17Å; H2050-T2094 PolarHBondContact O-OG1 3.11Å; D2051-T2094 VanDerWaalsContact C-OG1 3.26Å; D2051-T2094 VanDerWaalsContact CA-OG1 3.23Å; D2051-T2094 WeakPolarHBondContact CA-OG1 3.4Å; L2053-T2094 WeakPolarHBondContact O-CG2 3.43Å; L2053-T2094 PolarHBondContact O-N 3.46Å; L2053-T2094 PolarHBondContact O-OG1 2.93Å; T2094-A2096 PolarHBondContact O-N 3.21Å; T2094-Y2097 WeakPolarHBondContact O-CB 3.22Å; T2094-Y2097 PolarHBondContact O-N 3.23Å; T2094-L2105 HydrophobicContact CG2-CD2 3.49Å; T2094-L2105 VanDerWaalsContact CG2-CD2 3.49Å
2095S76.3Confident84Confident60 Ų6045.7 Ų45.742%0.4227%0.265SS..G310 helixtrans-63.7-20.1172.4430000114.3D2051 I2093D2051-S2095 WeakPolarHBondContact O-CB 3.27Å; D2051-S2095 PolarHBondContact O-N 2.96Å; D2051-S2095 PolarHBondContact O-OG 3.2Å; I2093-S2095 PolarHBondContact O-N 3.19Å; I2093-S2095 VanDerWaalsContact O-N 3.17Å
2096A76.8Confident84.3Confident76 Ų7644.3 Ų44.363%0.62825%0.25SS*.G310 helixtrans-94.31.9174.400000113.4I2093 T2094I2093-A2096 WeakPolarHBondContact O-CB 3.47Å; I2093-A2096 PolarHBondContact O-N 3.27Å; T2094-A2096 PolarHBondContact O-N 3.21Å
2097Y81.1Confident84.4Confident7 Ų744.4 Ų44.43%0.02725%0.251CS..SBendtrans-78.9144.7173.5-74.930.5000110.1G2055 L2086 Y2089 R2092 I2093 T2094 N2101 R2102 L2105G2055-Y2097 WeakPolarHBondContact CA-OH 3.37Å; G2055-Y2097 PolarHBondContact N-OH 2.9Å; L2086-Y2097 HydrophobicContact CD2-CE2 4.01Å; Y2089-Y2097 WeakPolarHBondContact O-CE1 2.26Å; Y2089-Y2097 PolarHBondContact O-OH 3.38Å; R2092-Y2097 HydrophobicContact CB-CE1 4.23Å; I2093-Y2097 WeakPolarHBondContact O-CD1 3.3Å; T2094-Y2097 WeakPolarHBondContact O-CB 3.22Å; T2094-Y2097 PolarHBondContact O-N 3.23Å; Y2097-N2101 HydrophobicContact CD2-CB 3.77Å; Y2097-N2101 WeakPolarHBondContact CD2-O 3.41Å; Y2097-N2101 HydrophobicContact CG-CB 4.14Å; Y2097-R2102 PolarHBondContact O-NE 3.42Å; Y2097-R2102 PolarHBondContact O-NH2 2.98Å; Y2097-L2105 HydrophobicContact CD2-CD2 4.47Å; Y2097-L2105 HydrophobicContact CE2-CD2 3.96Å
2098S76.1Confident84.6Confident60 Ų6041.1 Ų41.142%0.4223%0.228SC..  trans-60.9165.3164.258.90000111.4N2101 R2102S2098-N2101 PolarHBondContact O-N 2.76Å; S2098-N2101 WeakPolarHBondContact OG-CB 3.27Å; S2098-N2101 VanDerWaalsContact OG-CG 3.32Å; S2098-N2101 PolarHBondContact OG-N 3.08Å; S2098-R2102 WeakPolarHBondContact O-CG 3.28Å; S2098-R2102 PolarHBondContact O-N 2.86Å
2099G75.8Confident84.9Confident40 Ų4038.1 Ų38.141%0.41221%0.208SC..Hα-helixtrans-52.1-58.2174.800000111.4N2101 R2102 R2103G2099-N2101 VanDerWaalsContact C-N 3.29Å; G2099-N2101 PolarHBondContact O-N 3.46Å; G2099-R2102 WeakPolarHBondContact O-CB 3.47Å; G2099-R2102 PolarHBondContact O-N 3.19Å; G2099-R2103 PolarHBondContact O-N 2.93Å
2100G78.7Confident85.1Confident5 Ų534 Ų345%0.05219%0.192CC..Hα-helixtrans-56.3-34.2176.700000115.3R2103 K2104G2100-R2103 WeakPolarHBondContact O-CB 3.5Å; G2100-R2103 PolarHBondContact O-N 3.36Å; G2100-K2104 WeakPolarHBondContact O-CG 3.37Å; G2100-K2104 PolarHBondContact O-N 3.07Å
2101N85.2Confident85.3Confident26 Ų2634.7 Ų34.714%0.13920%0.196CC..Hα-helixtrans-74.2-30.7176.4-74.74.4000112.7L2086 Y2089 Y2097 S2098 G2099 R2103 L2105L2086-N2101 HydrophobicContact CD2-CB 4.05Å; Y2089-N2101 WeakPolarHBondContact CD2-ND2 3.27Å; Y2089-N2101 WeakPolarHBondContact CE2-ND2 2.2Å; Y2097-N2101 HydrophobicContact CD2-CB 3.77Å; Y2097-N2101 WeakPolarHBondContact CD2-O 3.41Å; Y2097-N2101 HydrophobicContact CG-CB 4.14Å; S2098-N2101 PolarHBondContact O-N 2.76Å; S2098-N2101 WeakPolarHBondContact OG-CB 3.27Å; S2098-N2101 VanDerWaalsContact OG-CG 3.32Å; S2098-N2101 PolarHBondContact OG-N 3.08Å; G2099-N2101 VanDerWaalsContact C-N 3.29Å; G2099-N2101 PolarHBondContact O-N 3.46Å; N2101-R2103 VanDerWaalsContact C-N 3.32Å; N2101-L2105 PolarHBondContact O-N 2.87Å
2102R86.1Confident85.3Confident94 Ų9430.2 Ų30.236%0.35517%0.172SC..Hα-helixtrans-68-37.1168.2-64.2177.3-140.81677.7110.5D2047 Y2097 S2098 G2099 L2105 S2106D2047-R2102 HydrophobicContact CB-CB 4.32Å; D2047-R2102 VanDerWaalsContact OD2-CB 3.25Å; D2047-R2102 WeakPolarHBondContact OD2-CB 3.42Å; Y2097-R2102 PolarHBondContact O-NE 3.42Å; Y2097-R2102 PolarHBondContact O-NH2 2.98Å; S2098-R2102 WeakPolarHBondContact O-CG 3.28Å; S2098-R2102 PolarHBondContact O-N 2.86Å; G2099-R2102 WeakPolarHBondContact O-CB 3.47Å; G2099-R2102 PolarHBondContact O-N 3.19Å; R2102-L2105 CarbonylContact O-C 3.55Å; R2102-L2105 WeakPolarHBondContact O-CA 3.4Å; R2102-L2105 WeakPolarHBondContact O-CB 3.35Å; R2102-L2105 PolarHBondContact O-N 3.47Å; R2102-L2105 VanDerWaalsContact O-N 3.12Å; R2102-S2106 PolarHBondContact O-N 2.84Å
2103R86.7Confident84.9Confident4 Ų423.6 Ų23.62%0.01515%0.15CC..Hα-helixtrans-63.2-48.5178.4-157.857.8169.8160.9-0.1112.7P2044 Q2045 D2047 G2099 G2100 N2101 L2105 S2106 T2107 D2121 E2122 P2123 M2127P2044-R2103 PolarHBondContact O-NH1 3.39Å; Q2045-R2103 PolarHBondContact O-NH1 3.45Å; Q2045-R2103 PolarHBondContact O-NH2 3.21Å; D2047-R2103 WeakPolarHBondContact OD1-CD 3.32Å; D2047-R2103 IonicContact OD1-CZ 3.26Å; D2047-R2103 IonicContact OD1-NE 2.77Å; D2047-R2103 IonicContact OD1-NH1 2.67Å; D2047-R2103 PolarHBondContact OD1-NH1 2.79Å; D2047-R2103 PolarHBondContact OD2-N 2.7Å; G2099-R2103 PolarHBondContact O-N 2.93Å; G2100-R2103 WeakPolarHBondContact O-CB 3.5Å; G2100-R2103 PolarHBondContact O-N 3.36Å; N2101-R2103 VanDerWaalsContact C-N 3.32Å; R2103-L2105 VanDerWaalsContact C-N 3.26Å; R2103-L2105 PolarHBondContact O-N 3.19Å; R2103-S2106 WeakPolarHBondContact O-CB 3.45Å; R2103-S2106 PolarHBondContact O-N 3.41Å; R2103-S2106 VanDerWaalsContact O-N 3.1Å; R2103-T2107 PolarHBondContact O-N 2.8Å; R2103-T2107 PolarHBondContact O-OG1 3.47Å; R2103-D2121 PolarHBondContact NH2-O 2.96Å; R2103-E2122 PolarHBondContact NE-O 3.44Å; R2103-E2122 VanDerWaalsContact NH2-C 3.33Å; R2103-E2122 PolarHBondContact NH2-O 3.05Å; R2103-P2123 WeakPolarHBondContact CG-O 3.27Å; R2103-P2123 PolarHBondContact NE-O 2.96Å; R2103-M2127 HydrophobicContact CB-SD 4.14Å; R2103-M2127 HydrophobicContact CG-SD 4.11Å
2104K89.3Confident84.8Confident21 Ų2128 Ų289%0.09117%0.167CC..Hα-helixtrans-53.9-39.9169.4-71.6178.8-178.6-155.90112.2M2084 L2086 G2100 T2107 A2108 M2127 F2134 M2135M2084-K2104 HydrophobicContact CE-CB 4.4Å; M2084-K2104 VanDerWaalsContact CE-O 3.24Å; M2084-K2104 WeakPolarHBondContact CE-O 3.43Å; L2086-K2104 HydrophobicContact CD1-CB 4.17Å; L2086-K2104 HydrophobicContact CD2-CB 4.29Å; L2086-K2104 HydrophobicContact CG-CB 4.31Å; G2100-K2104 WeakPolarHBondContact O-CG 3.37Å; G2100-K2104 PolarHBondContact O-N 3.07Å; K2104-T2107 WeakPolarHBondContact CA-OG1 3.41Å; K2104-T2107 PolarHBondContact O-OG1 3.43Å; K2104-A2108 WeakPolarHBondContact O-CB 3.42Å; K2104-A2108 PolarHBondContact O-N 2.97Å; K2104-M2127 HydrophobicContact CD-CE 4.37Å; K2104-M2127 HydrophobicContact CG-CE 4Å; K2104-F2134 HydrophobicContact CD-CD1 4.08Å; K2104-F2134 HydrophobicContact CD-CE1 3.96Å; K2104-F2134 VanDerWaalsContact NZ-CE1 3.31Å; K2104-F2134 VanDerWaalsContact NZ-CG 3.29Å; K2104-M2135 HydrophobicContact CB-SD 4.37Å; K2104-M2135 HydrophobicContact CG-CG 4.2Å; K2104-M2135 HydrophobicContact CG-SD 3.69Å
2105L91.1Very high85Confident0 Ų028 Ų280%017%0.167CC..Hα-helixtrans-72.9-33.2177.9-176.260.3000112.5V2049 L2059 L2086 T2094 Y2097 N2101 R2102 R2103 A2108 I2109V2049-L2105 HydrophobicContact CG1-CD2 3.87Å; V2049-L2105 HydrophobicContact CG1-CG 4.31Å; L2059-L2105 HydrophobicContact CD1-CD1 4.09Å; L2059-L2105 HydrophobicContact CD2-CD1 4Å; L2059-L2105 HydrophobicContact CG-CD1 3.85Å; L2086-L2105 HydrophobicContact CD1-CB 3.86Å; L2086-L2105 HydrophobicContact CD1-CD1 4.15Å; T2094-L2105 HydrophobicContact CG2-CD2 3.49Å; T2094-L2105 VanDerWaalsContact CG2-CD2 3.49Å; Y2097-L2105 HydrophobicContact CD2-CD2 4.47Å; Y2097-L2105 HydrophobicContact CE2-CD2 3.96Å; N2101-L2105 PolarHBondContact O-N 2.87Å; R2102-L2105 CarbonylContact O-C 3.55Å; R2102-L2105 WeakPolarHBondContact O-CA 3.4Å; R2102-L2105 WeakPolarHBondContact O-CB 3.35Å; R2102-L2105 PolarHBondContact O-N 3.47Å; R2102-L2105 VanDerWaalsContact O-N 3.12Å; R2103-L2105 VanDerWaalsContact C-N 3.26Å; R2103-L2105 PolarHBondContact O-N 3.19Å; L2105-A2108 PolarHBondContact O-N 2.71Å; L2105-I2109 WeakPolarHBondContact O-CD1 3.42Å; L2105-I2109 WeakPolarHBondContact O-CG1 3.1Å; L2105-I2109 PolarHBondContact O-N 2.73Å
2106S90.5Very high85.5Confident1 Ų129 Ų291%0.00717%0.165CC..Hα-helixtrans-68.6-43175.6-163.90000111.6C2043 D2047 R2102 R2103 I2109 A2110C2043-S2106 PolarHBondContact SG-OG 3.38Å; C2043-S2106 VanDerWaalsContact SG-OG 3.38Å; D2047-S2106 WeakPolarHBondContact OD1-CB 3.43Å; R2102-S2106 PolarHBondContact O-N 2.84Å; R2103-S2106 WeakPolarHBondContact O-CB 3.45Å; R2103-S2106 PolarHBondContact O-N 3.41Å; R2103-S2106 VanDerWaalsContact O-N 3.1Å; S2106-I2109 PolarHBondContact O-N 3.27Å; S2106-A2110 PolarHBondContact O-N 2.92Å
2107T89.6Confident86.1Confident2 Ų225.4 Ų25.41%0.01214%0.135CC..Hα-helixtrans-64.6-40.8171.725.50000112.2C2043 M2084 R2103 K2104 I2109 A2110 I2111 L2120 M2135C2043-T2107 HydrophobicContact CB-CG2 4.26Å; M2084-T2107 WeakPolarHBondContact CE-OG1 3.32Å; R2103-T2107 PolarHBondContact O-N 2.8Å; R2103-T2107 PolarHBondContact O-OG1 3.47Å; K2104-T2107 WeakPolarHBondContact CA-OG1 3.41Å; K2104-T2107 PolarHBondContact O-OG1 3.43Å; T2107-I2109 PolarHBondContact O-N 3.11Å; T2107-A2110 WeakPolarHBondContact O-CA 3.49Å; T2107-A2110 WeakPolarHBondContact O-CB 3.3Å; T2107-A2110 PolarHBondContact O-N 3.48Å; T2107-I2111 WeakPolarHBondContact O-CD1 3.44Å; T2107-I2111 VanDerWaalsContact O-CG1 3.27Å; T2107-I2111 WeakPolarHBondContact O-CG1 3.37Å; T2107-I2111 PolarHBondContact O-N 2.9Å; T2107-L2120 HydrophobicContact CG2-CD2 3.79Å; T2107-M2135 HydrophobicContact CG2-CE 3.74Å; T2107-M2135 WeakPolarHBondContact OG1-CE 3.26Å
2108A91.2Very high86.7Confident0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-55.9-35.7174.700000113.1L2059 M2084 K2104 L2105 I2111 I2112L2059-A2108 HydrophobicContact CD2-CB 3.67Å; M2084-A2108 HydrophobicContact CG-CB 3.96Å; K2104-A2108 WeakPolarHBondContact O-CB 3.42Å; K2104-A2108 PolarHBondContact O-N 2.97Å; L2105-A2108 PolarHBondContact O-N 2.71Å; A2108-I2111 PolarHBondContact O-N 3.02Å; A2108-I2112 WeakPolarHBondContact O-CG1 3.23Å; A2108-I2112 PolarHBondContact O-N 3.36Å; A2108-I2112 VanDerWaalsContact O-N 3.13Å
2109I91.1Very high87.6Confident4 Ų422.3 Ų22.32%0.02111%0.114CC..Hα-helixtrans-67.8-35.8174.8-65.7160.2000111.8L1673 V2049 T2058 L2059 Y2062 L2105 S2106 T2107L1673-I2109 HydrophobicContact CD2-CG2 4.02Å; V2049-I2109 HydrophobicContact CG1-CD1 4.37Å; T2058-I2109 HydrophobicContact CG2-CD1 3.73Å; T2058-I2109 HydrophobicContact CG2-CG1 4.35Å; L2059-I2109 HydrophobicContact CD2-CG1 4.13Å; Y2062-I2109 HydrophobicContact CD1-CG2 3.74Å; Y2062-I2109 HydrophobicContact CD2-CB 4.41Å; Y2062-I2109 HydrophobicContact CD2-CD1 3.92Å; Y2062-I2109 HydrophobicContact CD2-CG1 3.8Å; Y2062-I2109 HydrophobicContact CD2-CG2 3.7Å; Y2062-I2109 HydrophobicContact CE1-CG2 4.07Å; Y2062-I2109 HydrophobicContact CE2-CD1 3.81Å; Y2062-I2109 HydrophobicContact CE2-CG1 4.21Å; Y2062-I2109 HydrophobicContact CE2-CG2 4.05Å; Y2062-I2109 HydrophobicContact CG-CG1 4.38Å; Y2062-I2109 HydrophobicContact CG-CG2 3.55Å; L2105-I2109 WeakPolarHBondContact O-CD1 3.42Å; L2105-I2109 WeakPolarHBondContact O-CG1 3.1Å; L2105-I2109 PolarHBondContact O-N 2.73Å; S2106-I2109 PolarHBondContact O-N 3.27Å; T2107-I2109 PolarHBondContact O-N 3.11Å
2110A89.5Confident88.3Confident2 Ų220.6 Ų20.62%0.01710%0.096CC..Hα-helixtrans-68.1-35.8174.900000112.3G2041 C2043 R2066 S2106 T2107 P2115 I2118G2041-A2110 WeakPolarHBondContact CA-O 3.29Å; C2043-A2110 HydrophobicContact CB-CB 4.07Å; R2066-A2110 PolarHBondContact NH2-O 2.94Å; S2106-A2110 PolarHBondContact O-N 2.92Å; T2107-A2110 WeakPolarHBondContact O-CA 3.49Å; T2107-A2110 WeakPolarHBondContact O-CB 3.3Å; T2107-A2110 PolarHBondContact O-N 3.48Å; A2110-P2115 WeakPolarHBondContact O-CG 3.18Å; A2110-I2118 HydrophobicContact CB-CG2 4.36Å
2111I89.5Confident88.8Confident16 Ų1620.4 Ų20.48%0.0829%0.094CC..Hα-helixtrans-77.8-26.2-176.7-62.2158.7000112.9L2080 M2084 T2107 A2108 G2113 K2114 P2115 I2118 L2142L2080-I2111 HydrophobicContact CD2-CB 4.42Å; L2080-I2111 HydrophobicContact CD2-CG2 3.95Å; M2084-I2111 HydrophobicContact CE-CD1 4.22Å; M2084-I2111 HydrophobicContact SD-CD1 4.01Å; T2107-I2111 WeakPolarHBondContact O-CD1 3.44Å; T2107-I2111 VanDerWaalsContact O-CG1 3.27Å; T2107-I2111 WeakPolarHBondContact O-CG1 3.37Å; T2107-I2111 PolarHBondContact O-N 2.9Å; A2108-I2111 PolarHBondContact O-N 3.02Å; I2111-G2113 PolarHBondContact O-N 2.72Å; I2111-K2114 PolarHBondContact O-N 3.46Å; I2111-P2115 WeakPolarHBondContact O-CD 3.36Å; I2111-I2118 HydrophobicContact CG1-CD1 4.44Å; I2111-L2142 HydrophobicContact CD1-CD1 3.67Å; I2111-L2142 HydrophobicContact CG1-CD1 3.74Å; I2111-L2142 HydrophobicContact CG2-CD1 4.42Å; I2111-L2142 HydrophobicContact CG2-CD2 3.86Å
2112I88.1Confident88.8Confident4 Ų419.4 Ų19.42%0.0219%0.088CC..THydrogen-bonded Turntrans-48134.9175-86.4174.7000110.9L2059 R2066 F2068 L2080 A2108 P2115L2059-I2112 HydrophobicContact CB-CD1 4.02Å; L2059-I2112 HydrophobicContact CD2-CD1 3.63Å; L2059-I2112 HydrophobicContact CD2-CG1 4.38Å; L2059-I2112 HydrophobicContact CG-CD1 4.45Å; L2059-I2112 WeakPolarHBondContact O-CD1 3.33Å; R2066-I2112 WeakPolarHBondContact CD-O 3.24Å; R2066-I2112 HydrophobicContact CG-CG2 4.31Å; R2066-I2112 VanDerWaalsContact CZ-O 3.24Å; R2066-I2112 PolarHBondContact NE-O 3.36Å; R2066-I2112 PolarHBondContact NH2-O 3.46Å; F2068-I2112 HydrophobicContact CE2-CG2 4.31Å; L2080-I2112 HydrophobicContact CD1-CD1 4.34Å; L2080-I2112 HydrophobicContact CD1-CG1 3.43Å; L2080-I2112 VanDerWaalsContact CD1-CG1 3.43Å; A2108-I2112 WeakPolarHBondContact O-CG1 3.23Å; A2108-I2112 PolarHBondContact O-N 3.36Å; A2108-I2112 VanDerWaalsContact O-N 3.13Å; I2112-P2115 WeakPolarHBondContact O-CD 3.26Å
2113G79Confident88.7Confident10 Ų1014.9 Ų14.910%0.1037%0.071CC..THydrogen-bonded Turntrans80.714.5175.900000115.7I2111 P2115I2111-G2113 PolarHBondContact O-N 2.72Å; G2113-P2115 VanDerWaalsContact C-CD 3.46Å
2114K85.3Confident88.5Confident152 Ų15214.9 Ų14.966%0.6617%0.071SC*.  trans44.451.3177.9-58.4-159177.8-161.90114.4I2111I2111-K2114 PolarHBondContact O-N 3.46Å
2115P87.3Confident87.7Confident4 Ų415.9 Ų15.93%0.0268%0.081CC..  trans-62.4140.3175.528.1-35.4000111N2039 A2110 I2111 I2112 G2113 V2117 I2118N2039-P2115 VanDerWaalsContact O-CB 3.26Å; N2039-P2115 WeakPolarHBondContact O-CB 3.32Å; A2110-P2115 WeakPolarHBondContact O-CG 3.18Å; I2111-P2115 WeakPolarHBondContact O-CD 3.36Å; I2112-P2115 WeakPolarHBondContact O-CD 3.26Å; G2113-P2115 VanDerWaalsContact C-CD 3.46Å; P2115-V2117 VanDerWaalsContact C-N 3.33Å; P2115-I2118 HydrophobicContact CG-CG1 4.09Å
2116Q86.6Confident86.5Confident81 Ų8118.8 Ų18.838%0.37911%0.111SC..SBendtrans-73.1-26-179.6-171.9172.3-6.100112.5N2025 N2039 S2148N2025-Q2116 PolarHBondContact ND2-OE1 3.27Å; N2025-Q2116 PolarHBondContact OD1-NE2 3.5Å; N2025-Q2116 PolarHBondContact OD1-OE1 2.94Å; N2039-Q2116 PolarHBondContact O-N 3.18Å; Q2116-S2148 PolarHBondContact O-N 3.43Å
2117V91.2Very high85.9Confident0 Ų019.3 Ų19.30%011%0.113CC..EExtended strand (participates in β ladder)trans-119.2128.5175.5177.60000109.6V1964 V2024 N2039 L2040 G2041 P2115 L2119 S2148V1964-V2117 HydrophobicContact CG2-CB 4.2Å; V1964-V2117 HydrophobicContact CG2-CG1 3.37Å; V1964-V2117 HydrophobicContact CG2-CG2 3.71Å; V2024-V2117 HydrophobicContact CG1-CB 4.41Å; V2024-V2117 HydrophobicContact CG1-CG2 4.25Å; N2039-V2117 PolarHBondContact O-N 2.94Å; L2040-V2117 CarbonylContact C-O 3.55Å; L2040-V2117 WeakPolarHBondContact CA-O 3.43Å; L2040-V2117 HydrophobicContact CD1-CB 4.06Å; L2040-V2117 HydrophobicContact CD1-CG1 3.64Å; G2041-V2117 PolarHBondContact N-O 2.97Å; P2115-V2117 VanDerWaalsContact C-N 3.33Å; V2117-L2119 HydrophobicContact CG1-CD2 4.44Å; V2117-S2148 CarbonylContact C-O 3.53Å; V2117-S2148 WeakPolarHBondContact CA-O 3.5Å
2118I93.4Very high85.1Confident2 Ų220.4 Ų20.41%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-121.9125.9176.7-53.4179.4000110.3A2110 I2111 P2115 L2120 L2142 S2148 I2149 I2150A2110-I2118 HydrophobicContact CB-CG2 4.36Å; I2111-I2118 HydrophobicContact CG1-CD1 4.44Å; P2115-I2118 HydrophobicContact CG-CG1 4.09Å; I2118-L2120 HydrophobicContact CG2-CD2 3.65Å; I2118-L2120 HydrophobicContact CG2-CG 3.97Å; I2118-L2142 HydrophobicContact CD1-CD1 4.37Å; I2118-S2148 PolarHBondContact N-O 3.08Å; I2118-I2149 HydrophobicContact CB-CG1 4.32Å; I2118-I2149 WeakPolarHBondContact O-CA 3.22Å; I2118-I2150 PolarHBondContact O-N 2.65Å
2119L93.4Very high84.3Confident0 Ų020.6 Ų20.60%012%0.12CC..EExtended strand (participates in β ladder)trans-100.5121.8173-56.5-178.3000110.4F2008 I2011 T2012 L2040 G2041 Y2042 C2043 V2117 I2150F2008-L2119 HydrophobicContact CD2-CB 4.25Å; F2008-L2119 HydrophobicContact CE1-CD2 4.42Å; F2008-L2119 HydrophobicContact CE2-CB 3.96Å; F2008-L2119 HydrophobicContact CZ-CB 4.36Å; F2008-L2119 HydrophobicContact CZ-CD2 4.36Å; I2011-L2119 HydrophobicContact CB-CD1 4.32Å; I2011-L2119 HydrophobicContact CG2-CD1 3.81Å; I2011-L2119 HydrophobicContact CG2-CD2 4.47Å; T2012-L2119 HydrophobicContact CG2-CD1 3.59Å; L2040-L2119 HydrophobicContact CD1-CD1 4.01Å; L2040-L2119 HydrophobicContact CD1-CG 3.93Å; L2040-L2119 HydrophobicContact CD2-CD1 4.06Å; L2040-L2119 HydrophobicContact CG-CD1 4.33Å; L2040-L2119 HydrophobicContact CG-CG 4.46Å; G2041-L2119 PolarHBondContact O-N 3.05Å; Y2042-L2119 WeakPolarHBondContact CA-O 3.22Å; Y2042-L2119 HydrophobicContact CD2-CB 3.9Å; C2043-L2119 PolarHBondContact N-O 2.96Å; V2117-L2119 HydrophobicContact CG1-CD2 4.44Å; L2119-I2150 CarbonylContact C-O 3.58Å; L2119-I2150 WeakPolarHBondContact CA-O 3.43Å; L2119-I2150 HydrophobicContact CD2-CB 3.78Å; L2119-I2150 HydrophobicContact CD2-CD1 3.94Å; L2119-I2150 HydrophobicContact CD2-CG1 4.18Å
2120L91.7Very high83.6Confident4 Ų423.4 Ų23.42%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-119.8106.2-178.5-60-177000111.4C2043 T2107 I2118 E2122 P2123 I2139 I2149 I2150 L2151 T2152C2043-L2120 HydrophobicContact CB-CD2 3.69Å; T2107-L2120 HydrophobicContact CG2-CD2 3.79Å; I2118-L2120 HydrophobicContact CG2-CD2 3.65Å; I2118-L2120 HydrophobicContact CG2-CG 3.97Å; L2120-E2122 PolarHBondContact O-N 2.86Å; L2120-P2123 HydrophobicContact CB-CB 4.13Å; L2120-P2123 HydrophobicContact CB-CG 3.83Å; L2120-P2123 HydrophobicContact CD1-CB 4.21Å; L2120-P2123 HydrophobicContact CD1-CG 4.18Å; L2120-I2139 HydrophobicContact CD1-CD1 3.82Å; L2120-I2139 HydrophobicContact CD1-CG1 4.09Å; L2120-I2149 HydrophobicContact CD1-CG2 3.86Å; L2120-I2149 HydrophobicContact CG-CG2 4.18Å; L2120-I2150 PolarHBondContact N-O 2.95Å; L2120-L2151 HydrophobicContact CB-CB 4.05Å; L2120-L2151 CarbonylContact O-C 3.54Å; L2120-L2151 VanDerWaalsContact O-CA 3.24Å; L2120-L2151 WeakPolarHBondContact O-CA 3.49Å; L2120-T2152 PolarHBondContact O-N 3.33Å
2121D89.1Confident83.1Confident1 Ų123.7 Ų23.71%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-93.291.7-177.4-163.722.2000109.5T2005 F2008 Y2042 C2043 Q2045 R2103 T2152T2005-D2121 VanDerWaalsContact CG2-OD2 3.23Å; T2005-D2121 WeakPolarHBondContact CG2-OD2 3.46Å; T2005-D2121 PolarHBondContact OG1-OD1 2.91Å; T2005-D2121 VanDerWaalsContact OG1-OD1 3.08Å; F2008-D2121 HydrophobicContact CD2-CB 3.98Å; F2008-D2121 HydrophobicContact CE2-CB 4.21Å; Y2042-D2121 HydrophobicContact CE2-CB 4.2Å; C2043-D2121 VanDerWaalsContact O-CB 3.28Å; C2043-D2121 WeakPolarHBondContact O-CB 3.38Å; C2043-D2121 PolarHBondContact O-N 3.31Å; Q2045-D2121 WeakPolarHBondContact CA-O 3.26Å; Q2045-D2121 PolarHBondContact N-OD2 2.91Å; R2103-D2121 PolarHBondContact NH2-O 2.96Å; D2121-T2152 WeakPolarHBondContact CA-OG1 3.21Å; D2121-T2152 PolarHBondContact OD1-OG1 3.4Å
2122E84.1Confident82.7Confident5 Ų523.6 Ų23.62%0.02314%0.137CC..SBendtrans65.357.7-177.9-48-165.8144.800115.7K2004 Q2045 R2103 L2120 T2124 S2125 T2152 H2154K2004-E2122 IonicContact NZ-OE1 3.65Å; Q2045-E2122 PolarHBondContact NE2-OE2 3.47Å; R2103-E2122 PolarHBondContact NE-O 3.44Å; R2103-E2122 VanDerWaalsContact NH2-C 3.33Å; R2103-E2122 PolarHBondContact NH2-O 3.05Å; L2120-E2122 PolarHBondContact O-N 2.86Å; E2122-T2124 PolarHBondContact O-N 3.35Å; E2122-S2125 WeakPolarHBondContact O-CB 3.48Å; E2122-S2125 PolarHBondContact O-N 3.34Å; E2122-T2152 VanDerWaalsContact CA-O 3.27Å; E2122-T2152 WeakPolarHBondContact CA-O 3.38Å; E2122-T2152 WeakPolarHBondContact CG-O 3.19Å; E2122-T2152 PolarHBondContact N-O 3.49Å; E2122-H2154 IonicContact OE1-CE1 4Å; E2122-H2154 IonicContact OE1-CG 2.68Å; E2122-H2154 IonicContact OE1-ND1 3.65Å; E2122-H2154 PolarHBondContact OE1-ND1 2.86Å; E2122-H2154 IonicContact OE2-CE1 2.88Å; E2122-H2154 IonicContact OE2-ND1 2.85Å; E2122-H2154 PolarHBondContact OE2-ND1 2.91Å
2123P84.1Confident82.3Confident0 Ų026.6 Ų26.60%015%0.148CC..THydrogen-bonded Turntrans-57.9-37.7-16315.2-24.8000116R2103 L2120 I2139 L2151 E2158R2103-P2123 WeakPolarHBondContact CG-O 3.27Å; R2103-P2123 PolarHBondContact NE-O 2.96Å; L2120-P2123 HydrophobicContact CB-CB 4.13Å; L2120-P2123 HydrophobicContact CB-CG 3.83Å; L2120-P2123 HydrophobicContact CD1-CB 4.21Å; L2120-P2123 HydrophobicContact CD1-CG 4.18Å; P2123-I2139 HydrophobicContact CB-CD1 4.31Å; P2123-I2139 HydrophobicContact CG-CD1 4.41Å; P2123-L2151 HydrophobicContact CG-CB 4.46Å; P2123-E2158 WeakPolarHBondContact CG-OE1 3.4Å
2124T82.9Confident82.6Confident3 Ų328.7 Ų28.72%0.01815%0.154CC..THydrogen-bonded Turntrans-98.411178.961.90000116.3E2122 G2126 M2127 K2132 M2135 E2158E2122-T2124 PolarHBondContact O-N 3.35Å; T2124-G2126 PolarHBondContact O-N 2.89Å; T2124-M2127 HydrophobicContact CG2-SD 4.33Å; T2124-M2127 WeakPolarHBondContact O-CB 3.46Å; T2124-M2127 WeakPolarHBondContact O-CG 3.46Å; T2124-M2127 PolarHBondContact O-N 3.44Å; T2124-M2127 VanDerWaalsContact O-N 3.14Å; T2124-K2132 HydrophobicContact CG2-CB 4.19Å; T2124-K2132 HydrophobicContact CG2-CG 4.4Å; T2124-M2135 HydrophobicContact CG2-CB 3.72Å; T2124-M2135 HydrophobicContact CG2-CG 4.4Å; T2124-E2158 WeakPolarHBondContact CB-OE1 3.38Å; T2124-E2158 VanDerWaalsContact CG2-OE1 3.23Å; T2124-E2158 WeakPolarHBondContact CG2-OE1 3.42Å; T2124-E2158 PolarHBondContact N-OE1 3.37Å; T2124-E2158 PolarHBondContact OG1-OE1 2.89Å
2125S72.6Confident82.6Confident43 Ų4321.5 Ų21.530%0.30112%0.123SC..THydrogen-bonded Turntrans-56.5126178.5-169.10000112.4E2122E2122-S2125 WeakPolarHBondContact O-CB 3.48Å; E2122-S2125 PolarHBondContact O-N 3.34Å
2126G66.8Low82.6Confident61 Ų6122.1 Ų22.163%0.62913%0.125SC*.THydrogen-bonded Turntrans76.219-17900000115.6T2124T2124-G2126 PolarHBondContact O-N 2.89Å
2127M77.4Confident82.5Confident11 Ų1122.5 Ų22.55%0.05413%0.13CC..  trans-102.2146.5172.7-55.1-169.572.800111.2R2103 K2104 T2124 G2131 K2132 M2135R2103-M2127 HydrophobicContact CB-SD 4.14Å; R2103-M2127 HydrophobicContact CG-SD 4.11Å; K2104-M2127 HydrophobicContact CD-CE 4.37Å; K2104-M2127 HydrophobicContact CG-CE 4Å; T2124-M2127 HydrophobicContact CG2-SD 4.33Å; T2124-M2127 WeakPolarHBondContact O-CB 3.46Å; T2124-M2127 WeakPolarHBondContact O-CG 3.46Å; T2124-M2127 PolarHBondContact O-N 3.44Å; T2124-M2127 VanDerWaalsContact O-N 3.14Å; M2127-G2131 WeakPolarHBondContact CE-O 3.43Å; M2127-K2132 HydrophobicContact CB-CG 4.3Å; M2127-M2135 HydrophobicContact CE-CG 3.76Å; M2127-M2135 HydrophobicContact SD-CG 3.69Å
2128D73.7Confident82.4Confident26 Ų2624 Ų2414%0.13914%0.137CC..  trans-76.6159.6167.849.5-33.8000111.4N860 I2130 G2131 K2132N860-D2128 WeakPolarHBondContact CB-OD2 3.41Å; N860-D2128 PolarHBondContact N-OD2 3.19Å; N860-D2128 WeakPolarHBondContact ND2-CB 3.46Å; N860-D2128 PolarHBondContact ND2-OD1 3.12Å; D2128-I2130 VanDerWaalsContact C-N 3.32Å; D2128-I2130 PolarHBondContact O-N 3.12Å; D2128-I2130 VanDerWaalsContact O-N 3.13Å; D2128-G2131 CarbonylContact O-C 3.54Å; D2128-G2131 WeakPolarHBondContact O-CA 3.22Å; D2128-G2131 PolarHBondContact O-N 2.8Å; D2128-K2132 PolarHBondContact O-N 3.05Å
2129P73.5Confident82.2Confident3 Ų324 Ų242%0.01914%0.137CC..Hα-helixtrans-42.3-48.7-176.1-39.440.6000116.2M1015 E1156 F1159 L1160 G2131 K2132 R2133M1015-P2129 HydrophobicContact CE-CG 4.17Å; E1156-P2129 HydrophobicContact CG-CB 4.01Å; E1156-P2129 HydrophobicContact CG-CG 4.18Å; E1156-P2129 VanDerWaalsContact OE1-CB 3.24Å; E1156-P2129 WeakPolarHBondContact OE1-CB 3.34Å; F1159-P2129 HydrophobicContact CD1-CB 4.49Å; F1159-P2129 HydrophobicContact CD1-CG 4.41Å; F1159-P2129 HydrophobicContact CE1-CB 4.43Å; F1159-P2129 HydrophobicContact CE1-CG 4.34Å; L1160-P2129 HydrophobicContact CD2-CB 4.46Å; P2129-G2131 VanDerWaalsContact C-N 3.27Å; P2129-G2131 PolarHBondContact O-N 2.76Å; P2129-K2132 WeakPolarHBondContact O-CB 3.24Å; P2129-K2132 PolarHBondContact O-N 2.84Å; P2129-K2132 VanDerWaalsContact O-N 3.11Å; P2129-R2133 PolarHBondContact O-N 2.84Å
2130I76.9Confident81.8Confident64 Ų6426.7 Ų26.733%0.32815%0.151SC..Hα-helixtrans-62-37.4177.6-56.3167.7000110.9L1160 D2128 F2134L1160-I2130 HydrophobicContact CD2-CD1 4.5Å; L1160-I2130 HydrophobicContact CD2-CG1 3.6Å; D2128-I2130 VanDerWaalsContact C-N 3.32Å; D2128-I2130 PolarHBondContact O-N 3.12Å; D2128-I2130 VanDerWaalsContact O-N 3.13Å; I2130-F2134 WeakPolarHBondContact O-CB 3.36Å; I2130-F2134 PolarHBondContact O-N 3.41Å
2131G78.3Confident81.6Confident8 Ų831.3 Ų31.38%0.08218%0.175CC..Hα-helixtrans-70.2-35.8173.800000113.6M2127 D2128 P2129 M2135M2127-G2131 WeakPolarHBondContact CE-O 3.43Å; D2128-G2131 CarbonylContact O-C 3.54Å; D2128-G2131 WeakPolarHBondContact O-CA 3.22Å; D2128-G2131 PolarHBondContact O-N 2.8Å; P2129-G2131 VanDerWaalsContact C-N 3.27Å; P2129-G2131 PolarHBondContact O-N 2.76Å; G2131-M2135 PolarHBondContact O-N 3.5Å
2132K80.9Confident81.6Confident13 Ų1332.1 Ų32.16%0.05718%0.179CC..Hα-helixtrans-64.4-59.7174.5-63-155.1-174.3-179.80111.2T2124 M2127 D2128 P2129 F2134 M2135 W2136 S2155 E2157T2124-K2132 HydrophobicContact CG2-CB 4.19Å; T2124-K2132 HydrophobicContact CG2-CG 4.4Å; M2127-K2132 HydrophobicContact CB-CG 4.3Å; D2128-K2132 PolarHBondContact O-N 3.05Å; P2129-K2132 WeakPolarHBondContact O-CB 3.24Å; P2129-K2132 PolarHBondContact O-N 2.84Å; P2129-K2132 VanDerWaalsContact O-N 3.11Å; K2132-F2134 VanDerWaalsContact C-N 3.31Å; K2132-F2134 PolarHBondContact O-N 2.77Å; K2132-M2135 WeakPolarHBondContact O-CA 3.35Å; K2132-M2135 WeakPolarHBondContact O-CB 3.33Å; K2132-M2135 PolarHBondContact O-N 2.85Å; K2132-W2136 HydrophobicContact CB-CH2 4.22Å; K2132-W2136 HydrophobicContact CB-CZ2 3.95Å; K2132-W2136 HydrophobicContact CD-CH2 4.05Å; K2132-W2136 HydrophobicContact CD-CZ2 3.73Å; K2132-W2136 HydrophobicContact CG-CZ2 4.49Å; K2132-W2136 PolarHBondContact O-N 3.38Å; K2132-S2155 PolarHBondContact NZ-OG 3.4Å; K2132-E2157 VanDerWaalsContact NZ-CD 3.26Å; K2132-E2157 IonicContact NZ-OE1 2.69Å; K2132-E2157 PolarHBondContact NZ-OE1 3.36Å; K2132-E2157 IonicContact NZ-OE2 2.63Å; K2132-E2157 PolarHBondContact NZ-OE2 3.31Å
2133R79.4Confident81.7Confident67 Ų6732.9 Ų32.925%0.25318%0.183SC..Hα-helixtrans-51.9-48.1-179.2-87.8177.9164.373.1-7.4111.6E1156 P2129 M2135 W2136 D2137E1156-R2133 IonicContact OE1-NH1 3.78Å; E1156-R2133 IonicContact OE2-CZ 3.28Å; E1156-R2133 IonicContact OE2-NH1 2.71Å; E1156-R2133 PolarHBondContact OE2-NH1 3.17Å; E1156-R2133 IonicContact OE2-NH2 3.23Å; P2129-R2133 PolarHBondContact O-N 2.84Å; R2133-M2135 VanDerWaalsContact C-N 3.29Å; R2133-M2135 PolarHBondContact O-N 2.84Å; R2133-W2136 HydrophobicContact CG-CE3 4.17Å; R2133-W2136 HydrophobicContact CG-CZ3 4.33Å; R2133-W2136 WeakPolarHBondContact O-CA 3.45Å; R2133-W2136 WeakPolarHBondContact O-CB 3.39Å; R2133-W2136 PolarHBondContact O-N 2.92Å; R2133-D2137 VanDerWaalsContact O-CG 3.27Å; R2133-D2137 PolarHBondContact O-N 3.11Å
2134F85.5Confident81.7Confident54 Ų5439.9 Ų39.924%0.23721%0.213CC..Hα-helixtrans-54.3-41.6174.7177.3-81.3000113.6N2083 M2084 K2104 I2130 K2132 Q2138N2083-F2134 WeakPolarHBondContact O-CZ 3.17Å; M2084-F2134 VanDerWaalsContact C-CZ 3.41Å; M2084-F2134 WeakPolarHBondContact O-CE1 3.41Å; K2104-F2134 HydrophobicContact CD-CD1 4.08Å; K2104-F2134 HydrophobicContact CD-CE1 3.96Å; K2104-F2134 VanDerWaalsContact NZ-CE1 3.31Å; K2104-F2134 VanDerWaalsContact NZ-CG 3.29Å; I2130-F2134 WeakPolarHBondContact O-CB 3.36Å; I2130-F2134 PolarHBondContact O-N 3.41Å; K2132-F2134 VanDerWaalsContact C-N 3.31Å; K2132-F2134 PolarHBondContact O-N 2.77Å; F2134-Q2138 HydrophobicContact CD1-CG 4.44Å; F2134-Q2138 HydrophobicContact CE1-CG 3.94Å; F2134-Q2138 HydrophobicContact CZ-CG 4.2Å; F2134-Q2138 WeakPolarHBondContact O-CG 3.3Å; F2134-Q2138 PolarHBondContact O-N 3.35Å
2135M85.7Confident81.7Confident2 Ų245 Ų451%0.0124%0.237CC..Hα-helixtrans-69.9-37.6177.6-87.3-57.2-45.700111.6M2084 K2104 T2107 T2124 M2127 G2131 K2132 R2133 Q2138 I2139M2084-M2135 HydrophobicContact CE-CE 4.05Å; M2084-M2135 HydrophobicContact CE-SD 3.71Å; K2104-M2135 HydrophobicContact CB-SD 4.37Å; K2104-M2135 HydrophobicContact CG-CG 4.2Å; K2104-M2135 HydrophobicContact CG-SD 3.69Å; T2107-M2135 HydrophobicContact CG2-CE 3.74Å; T2107-M2135 WeakPolarHBondContact OG1-CE 3.26Å; T2124-M2135 HydrophobicContact CG2-CB 3.72Å; T2124-M2135 HydrophobicContact CG2-CG 4.4Å; M2127-M2135 HydrophobicContact CE-CG 3.76Å; M2127-M2135 HydrophobicContact SD-CG 3.69Å; G2131-M2135 PolarHBondContact O-N 3.5Å; K2132-M2135 WeakPolarHBondContact O-CA 3.35Å; K2132-M2135 WeakPolarHBondContact O-CB 3.33Å; K2132-M2135 PolarHBondContact O-N 2.85Å; R2133-M2135 VanDerWaalsContact C-N 3.29Å; R2133-M2135 PolarHBondContact O-N 2.84Å; M2135-Q2138 PolarHBondContact O-N 3.19Å; M2135-I2139 HydrophobicContact CE-CD1 4.26Å; M2135-I2139 HydrophobicContact CE-CG1 4.42Å; M2135-I2139 VanDerWaalsContact O-CG1 3.29Å; M2135-I2139 WeakPolarHBondContact O-CG1 3.25Å; M2135-I2139 PolarHBondContact O-N 3.03Å
2136W86.9Confident82.3Confident17 Ų1744.7 Ų44.76%0.06424%0.241CC..Hα-helixtrans-64.2-43.7175.5-58.4-20000111.4K2132 R2133 Q2138 I2139 I2140 E2157 E2158 A2161 L2162K2132-W2136 HydrophobicContact CB-CH2 4.22Å; K2132-W2136 HydrophobicContact CB-CZ2 3.95Å; K2132-W2136 HydrophobicContact CD-CH2 4.05Å; K2132-W2136 HydrophobicContact CD-CZ2 3.73Å; K2132-W2136 HydrophobicContact CG-CZ2 4.49Å; K2132-W2136 PolarHBondContact O-N 3.38Å; R2133-W2136 HydrophobicContact CG-CE3 4.17Å; R2133-W2136 HydrophobicContact CG-CZ3 4.33Å; R2133-W2136 WeakPolarHBondContact O-CA 3.45Å; R2133-W2136 WeakPolarHBondContact O-CB 3.39Å; R2133-W2136 PolarHBondContact O-N 2.92Å; W2136-Q2138 VanDerWaalsContact C-N 3.28Å; W2136-Q2138 PolarHBondContact O-N 3.11Å; W2136-I2139 PolarHBondContact O-N 2.83Å; W2136-I2140 WeakPolarHBondContact O-CG1 3.43Å; W2136-I2140 PolarHBondContact O-N 3.13Å; W2136-E2157 HydrophobicContact CH2-CB 3.95Å; W2136-E2157 HydrophobicContact CZ2-CB 4.34Å; W2136-E2158 HydrophobicContact CZ2-CB 3.94Å; W2136-A2161 HydrophobicContact CD2-CB 3.8Å; W2136-A2161 HydrophobicContact CE3-CB 3.51Å; W2136-A2161 HydrophobicContact CG-CB 4.37Å; W2136-A2161 HydrophobicContact CH2-CB 4.35Å; W2136-A2161 HydrophobicContact CZ3-CB 3.82Å; W2136-L2162 HydrophobicContact CB-CD2 3.9Å; W2136-L2162 HydrophobicContact CB-CG 4.44Å; W2136-L2162 HydrophobicContact CG-CD1 4.36Å; W2136-L2162 HydrophobicContact CG-CD2 4.27Å; W2136-L2162 HydrophobicContact CG-CG 4.29Å
2137D85Confident83.3Confident88 Ų8842.6 Ų42.647%0.47121%0.214SC..Hα-helixtrans-54-43.9173.8-62.3-40.6000112.1R2133 L2141R2133-D2137 VanDerWaalsContact O-CG 3.27Å; R2133-D2137 PolarHBondContact O-N 3.11Å; D2137-L2141 WeakPolarHBondContact O-CG 3.48Å; D2137-L2141 PolarHBondContact O-N 2.85Å
2138Q88.7Confident84Confident32 Ų3242.1 Ų42.115%0.1521%0.212CC..Hα-helixtrans-69.6-32.3177.1-65.6-54.3-69.800112.8N2083 M2084 F2134 M2135 W2136 L2142N2083-Q2138 VanDerWaalsContact O-CD 3.28Å; N2083-Q2138 PolarHBondContact O-OE1 3.49Å; N2083-Q2138 VanDerWaalsContact O-OE1 3.13Å; M2084-Q2138 HydrophobicContact SD-CB 4.27Å; M2084-Q2138 HydrophobicContact SD-CG 4.12Å; F2134-Q2138 HydrophobicContact CD1-CG 4.44Å; F2134-Q2138 HydrophobicContact CE1-CG 3.94Å; F2134-Q2138 HydrophobicContact CZ-CG 4.2Å; F2134-Q2138 WeakPolarHBondContact O-CG 3.3Å; F2134-Q2138 PolarHBondContact O-N 3.35Å; M2135-Q2138 PolarHBondContact O-N 3.19Å; W2136-Q2138 VanDerWaalsContact C-N 3.28Å; W2136-Q2138 PolarHBondContact O-N 3.11Å; Q2138-L2142 WeakPolarHBondContact O-CD1 3.28Å; Q2138-L2142 VanDerWaalsContact O-CG 3.27Å; Q2138-L2142 WeakPolarHBondContact O-CG 3.21Å; Q2138-L2142 PolarHBondContact O-N 2.86Å
2139I89.3Confident84.9Confident3 Ų340.9 Ų40.92%0.01521%0.205CC..Hα-helixtrans-72-43.6175.5-67.4165.3000110.3L2120 P2123 M2135 W2136 L2141 L2142 I2143 I2149 L2162L2120-I2139 HydrophobicContact CD1-CD1 3.82Å; L2120-I2139 HydrophobicContact CD1-CG1 4.09Å; P2123-I2139 HydrophobicContact CB-CD1 4.31Å; P2123-I2139 HydrophobicContact CG-CD1 4.41Å; M2135-I2139 HydrophobicContact CE-CD1 4.26Å; M2135-I2139 HydrophobicContact CE-CG1 4.42Å; M2135-I2139 VanDerWaalsContact O-CG1 3.29Å; M2135-I2139 WeakPolarHBondContact O-CG1 3.25Å; M2135-I2139 PolarHBondContact O-N 3.03Å; W2136-I2139 PolarHBondContact O-N 2.83Å; I2139-L2141 VanDerWaalsContact C-N 3.3Å; I2139-L2141 PolarHBondContact O-N 3.33Å; I2139-L2142 WeakPolarHBondContact O-CB 3.4Å; I2139-L2142 PolarHBondContact O-N 3.33Å; I2139-I2143 HydrophobicContact CG2-CD1 4.01Å; I2139-I2143 WeakPolarHBondContact O-CG1 3.45Å; I2139-I2143 PolarHBondContact O-N 3.42Å; I2139-I2149 HydrophobicContact CG2-CD1 3.8Å; I2139-L2162 HydrophobicContact CB-CD1 4.44Å; I2139-L2162 HydrophobicContact CB-CD2 3.94Å; I2139-L2162 HydrophobicContact CD1-CD1 3.87Å; I2139-L2162 HydrophobicContact CG2-CD1 4.08Å; I2139-L2162 HydrophobicContact CG2-CD2 3.77Å; I2139-L2162 HydrophobicContact CG2-CG 4.49Å
2140I86.3Confident85.8Confident56 Ų5640.7 Ų40.729%0.28720%0.204SC..Hα-helixtrans-60.2-39.5175.6-66.6164000111.1W2136 L2142 I2143 K2144 L2162W2136-I2140 WeakPolarHBondContact O-CG1 3.43Å; W2136-I2140 PolarHBondContact O-N 3.13Å; I2140-L2142 VanDerWaalsContact C-N 3.34Å; I2140-L2142 PolarHBondContact O-N 3.32Å; I2140-I2143 PolarHBondContact O-N 3.03Å; I2140-K2144 WeakPolarHBondContact O-CG 3.41Å; I2140-K2144 PolarHBondContact O-N 3.4Å; I2140-L2162 HydrophobicContact CD1-CD2 4.27Å; I2140-L2162 HydrophobicContact CG1-CD2 3.82Å
2141L87.6Confident86.5Confident101 Ų10137.7 Ų37.753%0.52919%0.189SC..Hα-helixtrans-59.7-41172.1-82.5163.4000112.6D2137 I2139 K2144 E2145D2137-L2141 WeakPolarHBondContact O-CG 3.48Å; D2137-L2141 PolarHBondContact O-N 2.85Å; I2139-L2141 VanDerWaalsContact C-N 3.3Å; I2139-L2141 PolarHBondContact O-N 3.33Å; L2141-K2144 PolarHBondContact O-N 2.83Å; L2141-E2145 PolarHBondContact O-N 3.16Å; L2141-E2145 VanDerWaalsContact O-N 3.08Å
2142L88.3Confident87.1Confident17 Ų1737.3 Ų37.39%0.08919%0.185CC..Hα-helixtrans-70.9-34.4178.4-66.7163.7000112.9I2111 I2118 Q2138 I2139 I2140 K2144 E2145 R2147 I2149I2111-L2142 HydrophobicContact CD1-CD1 3.67Å; I2111-L2142 HydrophobicContact CG1-CD1 3.74Å; I2111-L2142 HydrophobicContact CG2-CD1 4.42Å; I2111-L2142 HydrophobicContact CG2-CD2 3.86Å; I2118-L2142 HydrophobicContact CD1-CD1 4.37Å; Q2138-L2142 WeakPolarHBondContact O-CD1 3.28Å; Q2138-L2142 VanDerWaalsContact O-CG 3.27Å; Q2138-L2142 WeakPolarHBondContact O-CG 3.21Å; Q2138-L2142 PolarHBondContact O-N 2.86Å; I2139-L2142 WeakPolarHBondContact O-CB 3.4Å; I2139-L2142 PolarHBondContact O-N 3.33Å; I2140-L2142 VanDerWaalsContact C-N 3.34Å; I2140-L2142 PolarHBondContact O-N 3.32Å; L2142-K2144 VanDerWaalsContact C-N 3.35Å; L2142-E2145 PolarHBondContact O-N 2.96Å; L2142-R2147 WeakPolarHBondContact O-CB 3.24Å; L2142-R2147 WeakPolarHBondContact O-CG 3.28Å; L2142-R2147 PolarHBondContact O-N 3.43Å; L2142-I2149 HydrophobicContact CB-CD1 4.02Å
2143I86.3Confident87.2Confident21 Ų2136.7 Ų36.711%0.10818%0.182CC..Hα-helixtrans-62.5-45172-66.8166.3000109.3G1991 C1993 I2139 I2140 E2145 G2146 I2149G1991-I2143 WeakPolarHBondContact O-CG2 3.39Å; C1993-I2143 HydrophobicContact CB-CD1 3.59Å; C1993-I2143 HydrophobicContact CB-CG1 4.22Å; I2139-I2143 HydrophobicContact CG2-CD1 4.01Å; I2139-I2143 WeakPolarHBondContact O-CG1 3.45Å; I2139-I2143 PolarHBondContact O-N 3.42Å; I2140-I2143 PolarHBondContact O-N 3.03Å; I2143-E2145 VanDerWaalsContact C-N 3.26Å; I2143-E2145 PolarHBondContact O-N 2.97Å; I2143-G2146 WeakPolarHBondContact O-CA 3.47Å; I2143-G2146 PolarHBondContact O-N 2.77Å; I2143-I2149 HydrophobicContact CG1-CD1 3.81Å; I2143-I2149 HydrophobicContact CG1-CG1 4.3Å
2144K82.9Confident87Confident148 Ų14834.1 Ų34.164%0.64317%0.173SC*.Hα-helixtrans-67.9-18.3175.9-69.4-172.2178.6-158.20114.7I2140 L2141 L2142 G2146I2140-K2144 WeakPolarHBondContact O-CG 3.41Å; I2140-K2144 PolarHBondContact O-N 3.4Å; L2141-K2144 PolarHBondContact O-N 2.83Å; L2142-K2144 VanDerWaalsContact C-N 3.35Å; K2144-G2146 PolarHBondContact O-N 3.24Å
2145E84.5Confident86.6Confident109 Ų10932 Ų3251%0.50917%0.165SC..THydrogen-bonded Turntrans-76.73.1165.3-71.8-171.2168.100113.3L2141 L2142 I2143 R2147L2141-E2145 PolarHBondContact O-N 3.16Å; L2141-E2145 VanDerWaalsContact O-N 3.08Å; L2142-E2145 PolarHBondContact O-N 2.96Å; I2143-E2145 VanDerWaalsContact C-N 3.26Å; I2143-E2145 PolarHBondContact O-N 2.97Å; E2145-R2147 HydrophobicContact CB-CG 4.24Å; E2145-R2147 IonicContact OE2-CZ 3.75Å; E2145-R2147 IonicContact OE2-NE 2.63Å; E2145-R2147 PolarHBondContact OE2-NE 3.45Å; E2145-R2147 IonicContact OE2-NH2 3.94Å; E2145-R2147 PolarHBondContact OE2-NH2 3.39Å
2146G84.3Confident86.3Confident38 Ų3832.2 Ų32.239%0.39217%0.166SC..THydrogen-bonded Turntrans80.716.7-179.600000114.6G1991 I2143 K2144G1991-G2146 PolarHBondContact N-O 2.83Å; I2143-G2146 WeakPolarHBondContact O-CA 3.47Å; I2143-G2146 PolarHBondContact O-N 2.77Å; K2144-G2146 PolarHBondContact O-N 3.24Å
2147R88.3Confident85.9Confident17 Ų1733 Ų336%0.06417%0.17CC..  trans-88.2134.7179.7-49.8-173.1-166.4-167.213.5111.1L2142 E2145L2142-R2147 WeakPolarHBondContact O-CB 3.24Å; L2142-R2147 WeakPolarHBondContact O-CG 3.28Å; L2142-R2147 PolarHBondContact O-N 3.43Å; E2145-R2147 HydrophobicContact CB-CG 4.24Å; E2145-R2147 IonicContact OE2-CZ 3.75Å; E2145-R2147 IonicContact OE2-NE 2.63Å; E2145-R2147 PolarHBondContact OE2-NE 3.45Å; E2145-R2147 IonicContact OE2-NH2 3.94Å; E2145-R2147 PolarHBondContact OE2-NH2 3.39Å
2148S91.5Very high85.8Confident0 Ų028.9 Ų28.90%015%0.148CC..EExtended strand (participates in β ladder)trans-83.1133.5175.8-55.10000110.9S1963 R1989 P1990 G1991 E1992 Q2116 V2117 I2118S1963-S2148 VanDerWaalsContact CB-OG 3.26Å; S1963-S2148 WeakPolarHBondContact CB-OG 3.32Å; S1963-S2148 WeakPolarHBondContact OG-CB 3.38Å; S1963-S2148 PolarHBondContact OG-OG 3.06Å; S1963-S2148 VanDerWaalsContact OG-OG 3.05Å; R1989-S2148 PolarHBondContact O-OG 2.83Å; P1990-S2148 VanDerWaalsContact CA-OG 3.23Å; P1990-S2148 WeakPolarHBondContact CA-OG 3.29Å; G1991-S2148 PolarHBondContact N-OG 3.44Å; G1991-S2148 VanDerWaalsContact N-OG 3.1Å; E1992-S2148 WeakPolarHBondContact O-CA 2.9Å; Q2116-S2148 PolarHBondContact O-N 3.43Å; V2117-S2148 CarbonylContact C-O 3.53Å; V2117-S2148 WeakPolarHBondContact CA-O 3.5Å; I2118-S2148 PolarHBondContact N-O 3.08Å
2149I92.7Very high85.5Confident0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-126.9122.9-174.8-55.3-171.8000109.9E1992 C1993 F1994 I2118 L2120 I2139 L2142 I2143E1992-I2149 PolarHBondContact O-N 3.29Å; C1993-I2149 CarbonylContact C-O 3.52Å; C1993-I2149 VanDerWaalsContact CA-O 3.23Å; C1993-I2149 WeakPolarHBondContact CA-O 3.42Å; C1993-I2149 HydrophobicContact CB-CB 4.42Å; C1993-I2149 PolarHBondContact SG-O 3.11Å; F1994-I2149 PolarHBondContact N-O 2.87Å; I2118-I2149 HydrophobicContact CB-CG1 4.32Å; I2118-I2149 WeakPolarHBondContact O-CA 3.22Å; L2120-I2149 HydrophobicContact CD1-CG2 3.86Å; L2120-I2149 HydrophobicContact CG-CG2 4.18Å; I2139-I2149 HydrophobicContact CG2-CD1 3.8Å; L2142-I2149 HydrophobicContact CB-CD1 4.02Å; I2143-I2149 HydrophobicContact CG1-CD1 3.81Å; I2143-I2149 HydrophobicContact CG1-CG1 4.3Å
2150I93.3Very high85.1Confident0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-107.5119.9169.8-51173.7000107.3V1964 F1986 V1988 F1994 F2008 I2118 L2119 L2120V1964-I2150 HydrophobicContact CB-CD1 3.95Å; V1964-I2150 HydrophobicContact CG1-CD1 3.87Å; V1964-I2150 HydrophobicContact CG2-CD1 3.89Å; F1986-I2150 HydrophobicContact CE2-CD1 4.09Å; V1988-I2150 HydrophobicContact CG2-CD1 4.12Å; V1988-I2150 HydrophobicContact CG2-CG1 4.09Å; F1994-I2150 HydrophobicContact CD1-CG2 4Å; F1994-I2150 WeakPolarHBondContact O-CA 3.4Å; F2008-I2150 HydrophobicContact CE1-CB 4.42Å; F2008-I2150 HydrophobicContact CE1-CG2 3.68Å; F2008-I2150 HydrophobicContact CZ-CB 4.26Å; F2008-I2150 HydrophobicContact CZ-CG2 3.8Å; F2008-I2150 WeakPolarHBondContact CZ-O 3.36Å; I2118-I2150 PolarHBondContact O-N 2.65Å; L2119-I2150 CarbonylContact C-O 3.58Å; L2119-I2150 WeakPolarHBondContact CA-O 3.43Å; L2119-I2150 HydrophobicContact CD2-CB 3.78Å; L2119-I2150 HydrophobicContact CD2-CD1 3.94Å; L2119-I2150 HydrophobicContact CD2-CG1 4.18Å; L2120-I2150 PolarHBondContact N-O 2.95Å
2151L91.4Very high84.7Confident0 Ų029.8 Ų29.80%016%0.158CC..EExtended strand (participates in β ladder)trans-112.4135.417466.786.9000111.1F1994 L1996 L2120 P2123 T2153 L2162F1994-L2151 PolarHBondContact O-N 2.8Å; L1996-L2151 PolarHBondContact N-O 2.87Å; L2120-L2151 HydrophobicContact CB-CB 4.05Å; L2120-L2151 CarbonylContact O-C 3.54Å; L2120-L2151 VanDerWaalsContact O-CA 3.24Å; L2120-L2151 WeakPolarHBondContact O-CA 3.49Å; P2123-L2151 HydrophobicContact CG-CB 4.46Å; L2151-T2153 HydrophobicContact CD1-CG2 3.58Å; L2151-L2162 HydrophobicContact CD2-CB 4.16Å; L2151-L2162 HydrophobicContact CD2-CD1 3.65Å
2152T89.4Confident84.5Confident0 Ų025.6 Ų25.60%014%0.136CC..EExtended strand (participates in β ladder)trans-97.6123.7163.735.30000107.5L1996 K2004 F2008 L2120 D2121 E2122L1996-T2152 HydrophobicContact CB-CG2 3.9Å; L1996-T2152 HydrophobicContact CD2-CG2 3.88Å; L1996-T2152 HydrophobicContact CG-CG2 4.24Å; K2004-T2152 HydrophobicContact CB-CG2 3.71Å; K2004-T2152 HydrophobicContact CD-CG2 4.32Å; K2004-T2152 HydrophobicContact CG-CG2 4.33Å; F2008-T2152 HydrophobicContact CD1-CG2 3.96Å; F2008-T2152 HydrophobicContact CD2-CG2 4.39Å; F2008-T2152 WeakPolarHBondContact CD2-OG1 3.24Å; F2008-T2152 HydrophobicContact CE1-CG2 3.6Å; F2008-T2152 HydrophobicContact CE2-CG2 4.06Å; F2008-T2152 WeakPolarHBondContact CE2-OG1 3.19Å; F2008-T2152 HydrophobicContact CG-CG2 4.36Å; F2008-T2152 HydrophobicContact CZ-CG2 3.66Å; L2120-T2152 PolarHBondContact O-N 3.33Å; D2121-T2152 WeakPolarHBondContact CA-OG1 3.21Å; D2121-T2152 PolarHBondContact OD1-OG1 3.4Å; E2122-T2152 VanDerWaalsContact CA-O 3.27Å; E2122-T2152 WeakPolarHBondContact CA-O 3.38Å; E2122-T2152 WeakPolarHBondContact CG-O 3.19Å; E2122-T2152 PolarHBondContact N-O 3.49Å
2153T83.2Confident84.4Confident1 Ų125 Ų251%0.00613%0.133CC..  trans-139.9172.4178-164.70000112.8K2004 L2151 S2155 E2158 C2159K2004-T2153 PolarHBondContact NZ-O 3.1Å; L2151-T2153 HydrophobicContact CD1-CG2 3.58Å; T2153-S2155 PolarHBondContact OG1-N 3.11Å; T2153-S2155 VanDerWaalsContact OG1-N 3.13Å; T2153-E2158 WeakPolarHBondContact CB-OE2 3.33Å; T2153-E2158 PolarHBondContact OG1-OE2 3.44Å; T2153-C2159 WeakPolarHBondContact CG2-SG 3.43Å
2154H77Confident84.2Confident13 Ų1325.9 Ų25.96%0.0614%0.136CC..SBendtrans-133.213.2169.369.5-97.7000111P989 E2122P989-H2154 VanDerWaalsContact CD-O 3.28Å; P989-H2154 WeakPolarHBondContact CD-O 3.33Å; P989-H2154 WeakPolarHBondContact CG-O 3.03Å; E2122-H2154 IonicContact OE1-CE1 4Å; E2122-H2154 IonicContact OE1-CG 2.68Å; E2122-H2154 IonicContact OE1-ND1 3.65Å; E2122-H2154 PolarHBondContact OE1-ND1 2.86Å; E2122-H2154 IonicContact OE2-CE1 2.88Å; E2122-H2154 IonicContact OE2-ND1 2.85Å; E2122-H2154 PolarHBondContact OE2-ND1 2.91Å
2155S77.1Confident84.4Confident9 Ų921.1 Ų21.16%0.06312%0.115CC..  trans-108.1107.6176.2-167.20000107.7K2132 T2153 E2157 E2158 C2159K2132-S2155 PolarHBondContact NZ-OG 3.4Å; T2153-S2155 PolarHBondContact OG1-N 3.11Å; T2153-S2155 VanDerWaalsContact OG1-N 3.13Å; S2155-E2157 VanDerWaalsContact C-N 3.29Å; S2155-E2157 PolarHBondContact O-N 3.15Å; S2155-E2158 WeakPolarHBondContact O-CB 3.38Å; S2155-E2158 PolarHBondContact O-N 3.07Å; S2155-C2159 PolarHBondContact O-N 2.86Å
2156M79Confident84.6Confident6 Ų615.9 Ų15.93%0.039%0.091CC..Hα-helixtrans-65.4-38.8-175.1-80.850.8164.600110.8P989 L1997 E2158 C2159 E2160 L2266 D2267 F2270P989-M2156 HydrophobicContact CB-CE 4.21Å; P989-M2156 HydrophobicContact CG-CE 3.78Å; P989-M2156 HydrophobicContact CG-SD 3.86Å; L1997-M2156 HydrophobicContact CD1-CG 4.41Å; L1997-M2156 HydrophobicContact CD1-SD 4.37Å; L1997-M2156 HydrophobicContact CD2-CE 3.71Å; L1997-M2156 HydrophobicContact CD2-SD 3.64Å; M2156-E2158 PolarHBondContact O-N 3.32Å; M2156-E2158 VanDerWaalsContact O-N 3.09Å; M2156-C2159 PolarHBondContact O-N 3.43Å; M2156-E2160 PolarHBondContact O-N 2.95Å; M2156-L2266 HydrophobicContact CB-CB 4.42Å; M2156-L2266 HydrophobicContact CB-CD2 4.25Å; M2156-L2266 HydrophobicContact CG-CB 4.38Å; M2156-L2266 HydrophobicContact CG-CD2 4.13Å; M2156-L2266 HydrophobicContact CG-CG 4.25Å; M2156-D2267 HydrophobicContact CB-CB 4.21Å; M2156-D2267 WeakPolarHBondContact CE-OD1 3.43Å; M2156-D2267 HydrophobicContact CG-CB 4.04Å; M2156-D2267 WeakPolarHBondContact CG-OD1 3.15Å; M2156-F2270 HydrophobicContact CE-CB 3.35Å; M2156-F2270 HydrophobicContact CE-CD1 3.26Å; M2156-F2270 HydrophobicContact CE-CD2 3.6Å; M2156-F2270 HydrophobicContact CE-CE1 3.9Å; M2156-F2270 HydrophobicContact CE-CE2 4.19Å; M2156-F2270 HydrophobicContact CE-CG 3.08Å; M2156-F2270 HydrophobicContact CE-CZ 4.31Å
2157E77.6Confident84.9Confident35 Ų3514.1 Ų14.116%0.1647%0.072CC..Hα-helixtrans-43.4-39.5166-47.1162.7-136.200113.4K2132 W2136 S2155 A2161K2132-E2157 VanDerWaalsContact NZ-CD 3.26Å; K2132-E2157 IonicContact NZ-OE1 2.69Å; K2132-E2157 PolarHBondContact NZ-OE1 3.36Å; K2132-E2157 IonicContact NZ-OE2 2.63Å; K2132-E2157 PolarHBondContact NZ-OE2 3.31Å; W2136-E2157 HydrophobicContact CH2-CB 3.95Å; W2136-E2157 HydrophobicContact CZ2-CB 4.34Å; S2155-E2157 VanDerWaalsContact C-N 3.29Å; S2155-E2157 PolarHBondContact O-N 3.15Å; E2157-A2161 VanDerWaalsContact O-CB 3.28Å; E2157-A2161 WeakPolarHBondContact O-CB 3.03Å; E2157-A2161 PolarHBondContact O-N 2.96Å
2158E82.5Confident84.9Confident1 Ų113.3 Ų13.31%0.0057%0.069CC..Hα-helixtrans-80.4-29.3-176.1177.3170.4-106.800112P2123 T2124 W2136 T2153 S2155 M2156 L2162P2123-E2158 WeakPolarHBondContact CG-OE1 3.4Å; T2124-E2158 WeakPolarHBondContact CB-OE1 3.38Å; T2124-E2158 VanDerWaalsContact CG2-OE1 3.23Å; T2124-E2158 WeakPolarHBondContact CG2-OE1 3.42Å; T2124-E2158 PolarHBondContact N-OE1 3.37Å; T2124-E2158 PolarHBondContact OG1-OE1 2.89Å; W2136-E2158 HydrophobicContact CZ2-CB 3.94Å; T2153-E2158 WeakPolarHBondContact CB-OE2 3.33Å; T2153-E2158 PolarHBondContact OG1-OE2 3.44Å; S2155-E2158 WeakPolarHBondContact O-CB 3.38Å; S2155-E2158 PolarHBondContact O-N 3.07Å; M2156-E2158 PolarHBondContact O-N 3.32Å; M2156-E2158 VanDerWaalsContact O-N 3.09Å; E2158-L2162 HydrophobicContact CG-CD1 3.95Å; E2158-L2162 VanDerWaalsContact O-CB 3.28Å; E2158-L2162 WeakPolarHBondContact O-CB 3.42Å; E2158-L2162 WeakPolarHBondContact O-CG 3.43Å; E2158-L2162 PolarHBondContact O-N 2.94Å
2159C83.8Confident84.6Confident0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-73.7-43.9168.1-77.80000111.1L1997 T2153 S2155 M2156 A2161 L2162 C2163 I2166L1997-C2159 HydrophobicContact CD1-CB 4.25Å; T2153-C2159 WeakPolarHBondContact CG2-SG 3.43Å; S2155-C2159 PolarHBondContact O-N 2.86Å; M2156-C2159 PolarHBondContact O-N 3.43Å; C2159-A2161 PolarHBondContact O-N 3.2Å; C2159-L2162 PolarHBondContact O-N 2.83Å; C2159-C2163 HydrophobicContact CB-CB 4.49Å; C2159-C2163 PolarHBondContact O-N 2.79Å; C2159-I2166 HydrophobicContact CB-CD1 3.65Å; C2159-I2166 HydrophobicContact CB-CG1 4.15Å
2160E79.8Confident84Confident72 Ų7214.2 Ų14.234%0.3367%0.073SC..Hα-helixtrans-60.8-33178.3-69.6-173.9128.900112.4M2156 I2180 K2184 L2266M2156-E2160 PolarHBondContact O-N 2.95Å; E2160-I2180 HydrophobicContact CG-CG2 3.94Å; E2160-K2184 WeakPolarHBondContact OE1-CE 2.92Å; E2160-K2184 IonicContact OE1-NZ 2.68Å; E2160-K2184 PolarHBondContact OE1-NZ 2.95Å; E2160-L2266 HydrophobicContact CG-CD2 4.14Å
2161A78.5Confident83.1Confident38 Ų3817.2 Ų17.231%0.3149%0.09SC..THydrogen-bonded Turntrans-84.1-12177.700000115.5W2136 E2157 C2159W2136-A2161 HydrophobicContact CD2-CB 3.8Å; W2136-A2161 HydrophobicContact CE3-CB 3.51Å; W2136-A2161 HydrophobicContact CG-CB 4.37Å; W2136-A2161 HydrophobicContact CH2-CB 4.35Å; W2136-A2161 HydrophobicContact CZ3-CB 3.82Å; E2157-A2161 VanDerWaalsContact O-CB 3.28Å; E2157-A2161 WeakPolarHBondContact O-CB 3.03Å; E2157-A2161 PolarHBondContact O-N 2.96Å; C2159-A2161 PolarHBondContact O-N 3.2Å
2162L83.8Confident82.5Confident12 Ų1217.2 Ų17.26%0.0639%0.09CC..THydrogen-bonded Turntrans-136.2-33.3-167.3-65.2178.5000116.9C1993 W2136 I2139 I2140 L2151 E2158 C2159C1993-L2162 WeakPolarHBondContact CB-O 3.39Å; W2136-L2162 HydrophobicContact CB-CD2 3.9Å; W2136-L2162 HydrophobicContact CB-CG 4.44Å; W2136-L2162 HydrophobicContact CG-CD1 4.36Å; W2136-L2162 HydrophobicContact CG-CD2 4.27Å; W2136-L2162 HydrophobicContact CG-CG 4.29Å; I2139-L2162 HydrophobicContact CB-CD1 4.44Å; I2139-L2162 HydrophobicContact CB-CD2 3.94Å; I2139-L2162 HydrophobicContact CD1-CD1 3.87Å; I2139-L2162 HydrophobicContact CG2-CD1 4.08Å; I2139-L2162 HydrophobicContact CG2-CD2 3.77Å; I2139-L2162 HydrophobicContact CG2-CG 4.49Å; I2140-L2162 HydrophobicContact CD1-CD2 4.27Å; I2140-L2162 HydrophobicContact CG1-CD2 3.82Å; L2151-L2162 HydrophobicContact CD2-CB 4.16Å; L2151-L2162 HydrophobicContact CD2-CD1 3.65Å; E2158-L2162 HydrophobicContact CG-CD1 3.95Å; E2158-L2162 VanDerWaalsContact O-CB 3.28Å; E2158-L2162 WeakPolarHBondContact O-CB 3.42Å; E2158-L2162 WeakPolarHBondContact O-CG 3.43Å; E2158-L2162 PolarHBondContact O-N 2.94Å; C2159-L2162 PolarHBondContact O-N 2.83Å
2163C86.3Confident82.3Confident5 Ų519.6 Ų19.63%0.03410%0.101CC..  trans-101.6122.5-163.9-62.20000111.8C1993 G1995 C2159 Y2165 I2166C1993-C2163 WeakPolarHBondContact O-CA 3.21Å; G1995-C2163 VanDerWaalsContact CA-SG 3.51Å; C2159-C2163 HydrophobicContact CB-CB 4.49Å; C2159-C2163 PolarHBondContact O-N 2.79Å; C2163-Y2165 VanDerWaalsContact C-N 3.31Å; C2163-I2166 HydrophobicContact CB-CG1 4.14Å
2164Q82.3Confident82.4Confident39 Ų3920 Ų2018%0.18210%0.103CC..SBendtrans-70.7-30.1169.6-63.499.8-17.100112.2C1993 T2179C1993-Q2164 PolarHBondContact O-N 2.68Å; C1993-Q2164 VanDerWaalsContact O-N 3.16Å; C1993-Q2164 PolarHBondContact O-OE1 3.15Å; Q2164-T2179 WeakPolarHBondContact O-CG2 3.13Å
2165Y86.8Confident82.8Confident48 Ų4821.8 Ų21.819%0.18811%0.111CC..EExtended strand (participates in β ladder)trans-131.2137.8178.2-67.5-73.1000111.3F1994 G1995 C2163 F2177 G2178 T2179F1994-Y2165 WeakPolarHBondContact CA-O 3.39Å; F1994-Y2165 VanDerWaalsContact CD2-O 3.3Å; F1994-Y2165 WeakPolarHBondContact CD2-O 3.32Å; G1995-Y2165 PolarHBondContact N-O 2.88Å; C2163-Y2165 VanDerWaalsContact C-N 3.31Å; Y2165-F2177 HydrophobicContact CD1-CE1 4.46Å; Y2165-G2178 WeakPolarHBondContact CA-O 3.25Å; Y2165-T2179 HydrophobicContact CE1-CG2 4.44Å
2166I88.8Confident83.3Confident0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-121.8132179.6-62.3175.2000108.8G1995 L1997 C2159 C2163 I2168 F2177 G2178 I2180 L2183 L2266G1995-I2166 WeakPolarHBondContact O-CA 3.13Å; L1997-I2166 HydrophobicContact CB-CG2 4.26Å; L1997-I2166 HydrophobicContact CD1-CG2 3.82Å; C2159-I2166 HydrophobicContact CB-CD1 3.65Å; C2159-I2166 HydrophobicContact CB-CG1 4.15Å; C2163-I2166 HydrophobicContact CB-CG1 4.14Å; I2166-I2168 HydrophobicContact CG2-CG1 4.22Å; I2166-F2177 WeakPolarHBondContact O-CA 3.28Å; I2166-G2178 PolarHBondContact N-O 3.47Å; I2166-G2178 PolarHBondContact O-N 3.42Å; I2166-I2180 HydrophobicContact CD1-CG1 3.63Å; I2166-L2183 HydrophobicContact CB-CD1 3.96Å; I2166-L2183 HydrophobicContact CG2-CD1 4.16Å; I2166-L2266 HydrophobicContact CD1-CD2 3.75Å
2167G88.9Confident83.7Confident0 Ų022.2 Ų22.20%011%0.111CC..EExtended strand (participates in β ladder)trans-116119.9168.800000110.6G1995 L1997 C2176G1995-G2167 PolarHBondContact O-N 2.85Å; L1997-G2167 PolarHBondContact N-O 3.38Å; G2167-C2176 WeakPolarHBondContact CA-O 3.31Å
2168I88.7Confident84.1Confident0 Ų020.8 Ų20.80%011%0.106CC..EExtended strand (participates in β ladder)trans-88.9121.6179.2-54.7-172.4000109.8L1997 I2166 I2170 K2175 C2176 F2270L1997-I2168 HydrophobicContact CB-CG1 4.33Å; I2166-I2168 HydrophobicContact CG2-CG1 4.22Å; I2168-I2170 HydrophobicContact CG2-CD1 4.1Å; I2168-I2170 HydrophobicContact CG2-CG1 4.09Å; I2168-K2175 PolarHBondContact O-N 2.85Å; I2168-C2176 PolarHBondContact N-O 3.2Å; I2168-F2270 HydrophobicContact CD1-CD2 4.42Å; I2168-F2270 HydrophobicContact CG2-CD2 3.85Å; I2168-F2270 HydrophobicContact CG2-CE2 4.02Å
2169M85.9Confident84.1Confident0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-104.7123.1-174.8-167.5-173.5-172.500112.2V1981 L1984 L1996 L1997 G1998 A2002 K2004 G2172 Q2173V1981-M2169 HydrophobicContact CB-CE 4.42Å; V1981-M2169 HydrophobicContact CG1-CE 3.86Å; V1981-M2169 HydrophobicContact CG2-CE 4.17Å; L1984-M2169 HydrophobicContact CD1-CE 4.35Å; L1984-M2169 HydrophobicContact CD2-CE 4.12Å; L1996-M2169 HydrophobicContact CD1-CB 4.15Å; L1996-M2169 HydrophobicContact CD1-SD 4.47Å; L1996-M2169 HydrophobicContact CD2-SD 4.15Å; L1996-M2169 HydrophobicContact CG-SD 4.46Å; L1997-M2169 WeakPolarHBondContact O-CB 3.36Å; L1997-M2169 PolarHBondContact O-N 2.97Å; G1998-M2169 VanDerWaalsContact CA-O 3.25Å; G1998-M2169 WeakPolarHBondContact CA-O 3.47Å; A2002-M2169 WeakPolarHBondContact CB-O 3.38Å; K2004-M2169 HydrophobicContact CG-SD 4.21Å; K2004-M2169 PolarHBondContact N-SD 3.32Å; K2004-M2169 VanDerWaalsContact N-SD 3.41Å; M2169-G2172 WeakPolarHBondContact CE-O 3.09Å; M2169-Q2173 CarbonylContact C-O 3.53Å; M2169-Q2173 VanDerWaalsContact CA-O 3.24Å; M2169-Q2173 WeakPolarHBondContact CA-O 3.21Å; M2169-Q2173 WeakPolarHBondContact CG-O 3.05Å
2170I79.7Confident84Confident19 Ų1922 Ų2210%0.09711%0.113CC..EExtended strand (participates in β ladder)trans-138.4136.2-171-53.6-176.5000108.8I2168 G2172 Q2173 K2175 F2273 E2277I2168-I2170 HydrophobicContact CG2-CD1 4.1Å; I2168-I2170 HydrophobicContact CG2-CG1 4.09Å; I2170-G2172 PolarHBondContact O-N 3.13Å; I2170-Q2173 PolarHBondContact N-O 3Å; I2170-Q2173 PolarHBondContact O-N 3.25Å; I2170-Q2173 VanDerWaalsContact O-O 3.13Å; I2170-K2175 HydrophobicContact CB-CB 4.42Å; I2170-K2175 HydrophobicContact CB-CG 3.99Å; I2170-K2175 HydrophobicContact CD1-CB 3.96Å; I2170-K2175 HydrophobicContact CD1-CG 4.17Å; I2170-K2175 HydrophobicContact CG1-CB 4.22Å; I2170-K2175 HydrophobicContact CG1-CG 4.32Å; I2170-F2273 HydrophobicContact CD1-CB 3.82Å; I2170-F2273 HydrophobicContact CD1-CD1 4.47Å; I2170-F2273 HydrophobicContact CD1-CG 4.41Å; I2170-E2277 HydrophobicContact CG2-CB 4.44Å; I2170-E2277 HydrophobicContact CG2-CG 4.17Å; I2170-E2277 WeakPolarHBondContact CG2-OE1 3.47Å
2171N74.7Confident84.1Confident64 Ų6418.6 Ų18.634%0.34210%0.097SC..THydrogen-bonded Turntrans4619.7-174.8-106.8-70000117E2277N2171-E2277 WeakPolarHBondContact CA-OE1 3.5Å; N2171-E2277 WeakPolarHBondContact CB-OE1 3.42Å; N2171-E2277 PolarHBondContact N-OE1 3.18Å; N2171-E2277 VanDerWaalsContact ND2-CG 3.25Å; N2171-E2277 WeakPolarHBondContact ND2-CG 3.4Å; N2171-E2277 PolarHBondContact ND2-OE1 3.07Å
2172G79.5Confident84.3Confident0 Ų019.5 Ų19.50%010%0.095CC..THydrogen-bonded Turntrans99-8.2-176.300000115.6N1982 A2002 M2169 I2170N1982-G2172 PolarHBondContact N-O 2.91Å; A2002-G2172 WeakPolarHBondContact O-CA 3.42Å; A2002-G2172 PolarHBondContact O-N 2.99Å; M2169-G2172 WeakPolarHBondContact CE-O 3.09Å; I2170-G2172 PolarHBondContact O-N 3.13Å
2173Q84.1Confident84.3Confident49 Ų4919 Ų1923%0.2299%0.092CC..EExtended strand (participates in β ladder)trans-105.3163.2178.5-68.7174.3-96.900110.7E1938 N1982 M2169 I2170E1938-Q2173 PolarHBondContact OE1-NE2 3Å; N1982-Q2173 HydrophobicContact CB-CG 3.99Å; N1982-Q2173 WeakPolarHBondContact O-CG 3.43Å; M2169-Q2173 CarbonylContact C-O 3.53Å; M2169-Q2173 VanDerWaalsContact CA-O 3.24Å; M2169-Q2173 WeakPolarHBondContact CA-O 3.21Å; M2169-Q2173 WeakPolarHBondContact CG-O 3.05Å; I2170-Q2173 PolarHBondContact N-O 3Å; I2170-Q2173 PolarHBondContact O-N 3.25Å; I2170-Q2173 VanDerWaalsContact O-O 3.13Å
2174L86.6Confident84.2Confident10 Ų1019.3 Ų19.35%0.0529%0.093CC..EExtended strand (participates in β ladder)trans-90.8132.3167.9-150.5150.8000107.4V1942 L1984 F1986 F1994 L1996 C2176 F2177V1942-L2174 HydrophobicContact CG1-CB 4.31Å; V1942-L2174 HydrophobicContact CG1-CD2 4.15Å; V1942-L2174 HydrophobicContact CG2-CD2 3.7Å; L1984-L2174 HydrophobicContact CD1-CB 4.04Å; L1984-L2174 HydrophobicContact CD1-CD1 4.04Å; F1986-L2174 HydrophobicContact CB-CD1 4.35Å; F1986-L2174 HydrophobicContact CD1-CD1 4.44Å; F1994-L2174 HydrophobicContact CZ-CD1 4.45Å; L1996-L2174 HydrophobicContact CD1-CD1 4.39Å; L2174-C2176 VanDerWaalsContact CD2-O 3.24Å; L2174-C2176 WeakPolarHBondContact CD2-O 3.22Å; L2174-F2177 HydrophobicContact CD2-CB 3.95Å; L2174-F2177 HydrophobicContact CD2-CD2 4.48Å
2175K85.2Confident84Confident51 Ų5119.6 Ų19.622%0.22210%0.096CC..EExtended strand (participates in β ladder)trans-114.8-27.6-169.6-94-69.2-175174.50115.7S1937 D1939 I2168 I2170S1937-K2175 PolarHBondContact O-NZ 2.95Å; S1937-K2175 PolarHBondContact OG-NZ 3.36Å; D1939-K2175 WeakPolarHBondContact CB-O 3.3Å; I2168-K2175 PolarHBondContact O-N 2.85Å; I2170-K2175 HydrophobicContact CB-CB 4.42Å; I2170-K2175 HydrophobicContact CB-CG 3.99Å; I2170-K2175 HydrophobicContact CD1-CB 3.96Å; I2170-K2175 HydrophobicContact CD1-CG 4.17Å; I2170-K2175 HydrophobicContact CG1-CB 4.22Å; I2170-K2175 HydrophobicContact CG1-CG 4.32Å
2176C86.6Confident83.7Confident0 Ų021 Ų210%010%0.101CC..EExtended strand (participates in β ladder)trans-151.2155.4166.2590000109.7D1939 V1942 G2167 I2168 L2174 L2183 F2187 F2273D1939-C2176 VanDerWaalsContact OD2-CA 3.28Å; D1939-C2176 WeakPolarHBondContact OD2-CA 3.4Å; D1939-C2176 VanDerWaalsContact OD2-CB 3.27Å; D1939-C2176 WeakPolarHBondContact OD2-CB 3.38Å; V1942-C2176 VanDerWaalsContact CG2-CA 3.47Å; G2167-C2176 WeakPolarHBondContact CA-O 3.31Å; I2168-C2176 PolarHBondContact N-O 3.2Å; L2174-C2176 VanDerWaalsContact CD2-O 3.24Å; L2174-C2176 WeakPolarHBondContact CD2-O 3.22Å; C2176-L2183 HydrophobicContact CB-CD2 4.13Å; C2176-F2187 HydrophobicContact CB-CD2 4.43Å; C2176-F2187 HydrophobicContact CB-CE2 3.66Å; C2176-F2187 HydrophobicContact CB-CZ 4.04Å; C2176-F2273 HydrophobicContact CB-CZ 4.29Å
2177F87.2Confident83.4Confident23 Ų2323.2 Ų23.210%0.10111%0.111CC..EExtended strand (participates in β ladder)trans-145.5127.3-172.7177.5-95.7000110.8D1941 V1942 E1945 F1994 Y2165 I2166 L2174D1941-F2177 HydrophobicContact CB-CB 4.48Å; D1941-F2177 WeakPolarHBondContact CB-O 3.2Å; V1942-F2177 HydrophobicContact CG2-CB 3.99Å; E1945-F2177 HydrophobicContact CB-CD1 4.12Å; E1945-F2177 HydrophobicContact CB-CE1 4.14Å; E1945-F2177 HydrophobicContact CG-CD1 4.31Å; E1945-F2177 HydrophobicContact CG-CE1 4.04Å; E1945-F2177 HydrophobicContact CG-CE2 4.29Å; E1945-F2177 HydrophobicContact CG-CZ 4.02Å; F1994-F2177 HydrophobicContact CD2-CE2 4.22Å; F1994-F2177 AromaticContact CE2-CD2 3.9Å; F1994-F2177 HydrophobicContact CE2-CD2 3.9Å; F1994-F2177 AromaticContact CE2-CE2 3.56Å; F1994-F2177 HydrophobicContact CE2-CE2 3.56Å; F1994-F2177 HydrophobicContact CZ-CD2 4.39Å; F1994-F2177 HydrophobicContact CZ-CE2 4.2Å; Y2165-F2177 HydrophobicContact CD1-CE1 4.46Å; I2166-F2177 WeakPolarHBondContact O-CA 3.28Å; L2174-F2177 HydrophobicContact CD2-CB 3.95Å; L2174-F2177 HydrophobicContact CD2-CD2 4.48Å
2178G85.6Confident82.8Confident6 Ų623.5 Ų23.56%0.06211%0.113CC..EExtended strand (participates in β ladder)trans170.2-171.5178.600000115.7Y2165 I2166Y2165-G2178 WeakPolarHBondContact CA-O 3.25Å; I2166-G2178 PolarHBondContact N-O 3.47Å; I2166-G2178 PolarHBondContact O-N 3.42Å
2179T83.2Confident82.2Confident18 Ų1827.2 Ų27.211%0.1113%0.133CC..  trans-70.3164.8169.736.50000111.8E1055 N1101 Q2164 Y2165 H2182 L2183E1055-T2179 WeakPolarHBondContact OE1-CB 3.4Å; E1055-T2179 PolarHBondContact OE1-OG1 3.38Å; N1101-T2179 HydrophobicContact CB-CG2 4.09Å; N1101-T2179 VanDerWaalsContact ND2-CG2 3.32Å; N1101-T2179 WeakPolarHBondContact ND2-CG2 3.41Å; Q2164-T2179 WeakPolarHBondContact O-CG2 3.13Å; Y2165-T2179 HydrophobicContact CE1-CG2 4.44Å; T2179-H2182 WeakPolarHBondContact OG1-CB 3.47Å; T2179-L2183 WeakPolarHBondContact O-CB 3.45Å; T2179-L2183 VanDerWaalsContact O-CG 3.25Å; T2179-L2183 WeakPolarHBondContact O-CG 2.99Å; T2179-L2183 PolarHBondContact O-N 3.13Å; T2179-L2183 VanDerWaalsContact O-N 3.15Å
2180I81.5Confident82.2Confident9 Ų927.4 Ų27.45%0.04614%0.136CC..Hα-helixtrans-64.3-47.9-177.1-66.6143.7000110.5E1102 E2160 I2166 L2183 K2184E1102-I2180 PolarHBondContact OE1-N 3.19Å; E2160-I2180 HydrophobicContact CG-CG2 3.94Å; I2166-I2180 HydrophobicContact CD1-CG1 3.63Å; I2180-L2183 PolarHBondContact O-N 2.91Å; I2180-K2184 HydrophobicContact CG2-CD 4.24Å; I2180-K2184 WeakPolarHBondContact O-CG 3.46Å; I2180-K2184 PolarHBondContact O-N 3.34Å; I2180-K2184 VanDerWaalsContact O-N 3.11Å
2181Q81.8Confident82.4Confident0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-74.2-40.9-174-166.460.822.700112E1055 L2183 K2184 N2185E1055-Q2181 HydrophobicContact CB-CB 4.17Å; E1055-Q2181 HydrophobicContact CB-CG 4.2Å; E1055-Q2181 HydrophobicContact CG-CB 4.31Å; Q2181-L2183 VanDerWaalsContact C-N 3.34Å; Q2181-L2183 PolarHBondContact O-N 3.15Å; Q2181-K2184 WeakPolarHBondContact O-CB 3.09Å; Q2181-K2184 PolarHBondContact O-N 3Å; Q2181-K2184 VanDerWaalsContact O-N 3.12Å; Q2181-N2185 PolarHBondContact NE2-OD1 3.13Å; Q2181-N2185 WeakPolarHBondContact O-CB 3.49Å; Q2181-N2185 PolarHBondContact O-N 2.96Å; Q2181-N2185 PolarHBondContact O-ND2 2.98Å
2182H83.4Confident82.9Confident57 Ų5726 Ų2626%0.26413%0.125SC..Hα-helixtrans-50.8-49.1167.7176.871.5000112.3E1055 D1941 T2179 K2184 N2185 R2186E1055-H2182 VanDerWaalsContact CD-N 3.33Å; E1055-H2182 WeakPolarHBondContact OE1-CB 3.47Å; E1055-H2182 PolarHBondContact OE1-N 3.37Å; E1055-H2182 PolarHBondContact OE2-N 2.04Å; E1055-H2182 VanDerWaalsContact OE2-N 3.15Å; D1941-H2182 IonicContact OD2-CD2 3.77Å; D1941-H2182 IonicContact OD2-CE1 3.08Å; D1941-H2182 IonicContact OD2-NE2 3.71Å; D1941-H2182 PolarHBondContact OD2-NE2 3.21Å; T2179-H2182 WeakPolarHBondContact OG1-CB 3.47Å; H2182-K2184 PolarHBondContact O-N 3.47Å; H2182-N2185 PolarHBondContact O-N 3.1Å; H2182-R2186 WeakPolarHBondContact O-CB 3.5Å; H2182-R2186 PolarHBondContact O-N 2.97Å
2183L84.1Confident83.2Confident0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-65.2-36.3178.6-69.9173.8000112.8I2166 C2176 T2179 I2180 Q2181 F2187 L2266I2166-L2183 HydrophobicContact CB-CD1 3.96Å; I2166-L2183 HydrophobicContact CG2-CD1 4.16Å; C2176-L2183 HydrophobicContact CB-CD2 4.13Å; T2179-L2183 WeakPolarHBondContact O-CB 3.45Å; T2179-L2183 VanDerWaalsContact O-CG 3.25Å; T2179-L2183 WeakPolarHBondContact O-CG 2.99Å; T2179-L2183 PolarHBondContact O-N 3.13Å; T2179-L2183 VanDerWaalsContact O-N 3.15Å; I2180-L2183 PolarHBondContact O-N 2.91Å; Q2181-L2183 VanDerWaalsContact C-N 3.34Å; Q2181-L2183 PolarHBondContact O-N 3.15Å; L2183-F2187 HydrophobicContact CD2-CD2 3.79Å; L2183-F2187 HydrophobicContact CD2-CE2 3.74Å; L2183-F2187 WeakPolarHBondContact O-CB 3.29Å; L2183-F2187 PolarHBondContact O-N 2.9Å; L2183-L2266 HydrophobicContact CB-CD1 4.27Å
2184K83.7Confident83.2Confident12 Ų1223.6 Ų23.65%0.05211%0.114CC..Hα-helixtrans-65.3-41.7172.6-73.2168.2179.5169.70112.1E2160 I2180 Q2181 H2182 G2188E2160-K2184 WeakPolarHBondContact OE1-CE 2.92Å; E2160-K2184 IonicContact OE1-NZ 2.68Å; E2160-K2184 PolarHBondContact OE1-NZ 2.95Å; I2180-K2184 HydrophobicContact CG2-CD 4.24Å; I2180-K2184 WeakPolarHBondContact O-CG 3.46Å; I2180-K2184 PolarHBondContact O-N 3.34Å; I2180-K2184 VanDerWaalsContact O-N 3.11Å; Q2181-K2184 WeakPolarHBondContact O-CB 3.09Å; Q2181-K2184 PolarHBondContact O-N 3Å; Q2181-K2184 VanDerWaalsContact O-N 3.12Å; H2182-K2184 PolarHBondContact O-N 3.47Å; K2184-G2188 WeakPolarHBondContact O-CA 3.36Å; K2184-G2188 PolarHBondContact O-N 3.47Å
2185N78.9Confident83.2Confident46 Ų4623.2 Ų23.225%0.24611%0.112CC..Hα-helixtrans-74.5-44.9-178.2-62.9-25.6000111.7S1147 Q2181 H2182 K2236 Q2263S1147-N2185 WeakPolarHBondContact CB-ND2 3.41Å; S1147-N2185 PolarHBondContact OG-ND2 3.29Å; Q2181-N2185 PolarHBondContact NE2-OD1 3.13Å; Q2181-N2185 WeakPolarHBondContact O-CB 3.49Å; Q2181-N2185 PolarHBondContact O-N 2.96Å; Q2181-N2185 PolarHBondContact O-ND2 2.98Å; H2182-N2185 PolarHBondContact O-N 3.1Å; N2185-K2236 WeakPolarHBondContact O-CE 3.31Å; N2185-K2236 PolarHBondContact O-NZ 2.71Å; N2185-Q2263 PolarHBondContact OD1-NE2 3.27Å
2186R80Confident83Confident77 Ų7721.8 Ų21.829%0.29111%0.106SC..Hα-helixtrans-66.8-47.6179-165.8172.1-178.1144.517111.3D1939 E1940 D1941 H2182 K2236D1939-R2186 IonicContact OD1-CZ 2.78Å; D1939-R2186 IonicContact OD1-NE 3.59Å; D1939-R2186 IonicContact OD1-NH2 2.69Å; E1940-R2186 IonicContact OE2-CZ 2.79Å; E1940-R2186 IonicContact OE2-NH1 3.84Å; E1940-R2186 IonicContact OE2-NH2 2.63Å; E1940-R2186 PolarHBondContact OE2-NH2 3.48Å; D1941-R2186 IonicContact OD1-NH1 2.68Å; D1941-R2186 PolarHBondContact OD1-NH1 3.36Å; D1941-R2186 IonicContact OD2-CZ 3.28Å; D1941-R2186 IonicContact OD2-NH1 3.27Å; D1941-R2186 PolarHBondContact OD2-NH1 3.19Å; H2182-R2186 WeakPolarHBondContact O-CB 3.5Å; H2182-R2186 PolarHBondContact O-N 2.97Å; R2186-K2236 PolarHBondContact O-NZ 3.3Å
2187F81.6Confident82.8Confident47 Ų4722 Ų2221%0.20611%0.107CC..Hα-helixtrans-117.93.4-168.8-54-65.8000116.3C2176 L2183 V2269 F2273C2176-F2187 HydrophobicContact CB-CD2 4.43Å; C2176-F2187 HydrophobicContact CB-CE2 3.66Å; C2176-F2187 HydrophobicContact CB-CZ 4.04Å; L2183-F2187 HydrophobicContact CD2-CD2 3.79Å; L2183-F2187 HydrophobicContact CD2-CE2 3.74Å; L2183-F2187 WeakPolarHBondContact O-CB 3.29Å; L2183-F2187 PolarHBondContact O-N 2.9Å; F2187-V2269 HydrophobicContact CB-CG1 3.65Å; F2187-F2273 HydrophobicContact CB-CE2 3.68Å; F2187-F2273 HydrophobicContact CB-CZ 4.12Å; F2187-F2273 AromaticContact CD1-CE2 3.99Å; F2187-F2273 HydrophobicContact CD1-CE2 3.99Å; F2187-F2273 AromaticContact CD1-CZ 3.5Å; F2187-F2273 HydrophobicContact CD1-CZ 3.5Å; F2187-F2273 AromaticContact CD2-CE2 3.85Å; F2187-F2273 HydrophobicContact CD2-CE2 3.85Å; F2187-F2273 AromaticContact CD2-CZ 3.92Å; F2187-F2273 HydrophobicContact CD2-CZ 3.92Å; F2187-F2273 AromaticContact CE1-CZ 3.77Å; F2187-F2273 HydrophobicContact CE1-CZ 3.77Å; F2187-F2273 HydrophobicContact CE2-CE2 4.46Å; F2187-F2273 HydrophobicContact CE2-CZ 4.16Å; F2187-F2273 AromaticContact CG-CE2 3.57Å; F2187-F2273 HydrophobicContact CG-CE2 3.57Å; F2187-F2273 AromaticContact CG-CZ 3.57Å; F2187-F2273 HydrophobicContact CG-CZ 3.57Å; F2187-F2273 HydrophobicContact CZ-CZ 4.08Å
2188G75.9Confident82.4Confident6 Ų623 Ų236%0.06211%0.113CC..  trans-74.7171.4172.900000114.4K2184 K2236 T2264K2184-G2188 WeakPolarHBondContact O-CA 3.36Å; K2184-G2188 PolarHBondContact O-N 3.47Å; G2188-K2236 WeakPolarHBondContact O-CE 3.34Å; G2188-T2264 WeakPolarHBondContact CA-OG1 3.41Å
2189N77.6Confident81.6Confident77 Ų7725.4 Ų25.441%0.41212%0.123SC..  trans-111.644.7176.9-61.513.7000110.3Q2233 T2264 N2272N2189-Q2233 PolarHBondContact O-NE2 3.28Å; N2189-T2264 HydrophobicContact CB-CG2 4.03Å; N2189-T2264 PolarHBondContact N-OG1 3.12Å; N2189-N2272 PolarHBondContact ND2-ND2 2.89Å; N2189-N2272 PolarHBondContact OD1-ND2 3.45Å
2190G84.4Confident81.1Confident5 Ų531.9 Ų31.95%0.05216%0.156CC..  trans70.6-124.8178.300000114.3M2234 T2264G2190-M2234 WeakPolarHBondContact CA-O 3.42Å; G2190-T2264 PolarHBondContact O-N 2.72Å; G2190-T2264 PolarHBondContact O-OG1 3.48Å
2191Y85.7Confident80.6Confident23 Ų2332 Ų329%0.0916%0.157CC..EExtended strand (participates in β ladder)trans-116.2162.5-174.7-68-87.6000111.7L1150 Q2233 M2234 L2240 R2262 Q2263L1150-Y2191 HydrophobicContact CB-CE1 4.28Å; Y2191-Q2233 PolarHBondContact O-NE2 3.2Å; Y2191-Q2233 VanDerWaalsContact O-NE2 3.17Å; Y2191-M2234 PolarHBondContact N-O 3.39Å; Y2191-M2234 PolarHBondContact O-N 3.2Å; Y2191-L2240 HydrophobicContact CD1-CD2 4Å; Y2191-L2240 HydrophobicContact CD2-CD2 4.01Å; Y2191-L2240 HydrophobicContact CE1-CD1 4.27Å; Y2191-L2240 HydrophobicContact CE1-CD2 4.05Å; Y2191-L2240 HydrophobicContact CE2-CD1 4.19Å; Y2191-L2240 HydrophobicContact CE2-CD2 4.04Å; Y2191-L2240 HydrophobicContact CE2-CG 4.35Å; Y2191-L2240 HydrophobicContact CG-CD2 4.01Å; Y2191-R2262 CarbonylContact C-O 3.43Å; Y2191-Q2263 HydrophobicContact CD1-CB 3.93Å; Y2191-Q2263 HydrophobicContact CD1-CG 4.31Å; Y2191-Q2263 HydrophobicContact CE1-CB 3.69Å; Y2191-Q2263 HydrophobicContact CE1-CG 3.94Å
2192Q84.9Confident80.3Confident29 Ų2935.6 Ų35.614%0.13618%0.179CC..EExtended strand (participates in β ladder)trans-130.7128.7177-179.5162.1107.200109.3K2231 Y2232 R2262Q2192-K2231 HydrophobicContact CG-CD 4.3Å; Q2192-K2231 HydrophobicContact CG-CG 4.1Å; Q2192-Y2232 CarbonylContact C-O 3.55Å; Q2192-Y2232 WeakPolarHBondContact CA-O 3.41Å; Q2192-R2262 HydrophobicContact CB-CG 4.39Å; Q2192-R2262 PolarHBondContact N-O 3.18Å; Q2192-R2262 PolarHBondContact O-N 3.14Å
2193V86.2Confident79.9Confident0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-117117.4-176-176.20000108.8I2195 Y2232 M2234 L2243 L2247 S2260 V2261V2193-I2195 HydrophobicContact CG1-CD1 4.03Å; V2193-I2195 HydrophobicContact CG1-CG1 3.78Å; V2193-Y2232 PolarHBondContact N-O 3.19Å; V2193-Y2232 PolarHBondContact O-N 2.93Å; V2193-M2234 HydrophobicContact CB-CE 4.08Å; V2193-M2234 HydrophobicContact CG2-CE 3.74Å; V2193-M2234 HydrophobicContact CG2-CG 3.7Å; V2193-L2243 HydrophobicContact CG2-CD1 4.23Å; V2193-L2243 HydrophobicContact CG2-CD2 3.78Å; V2193-L2247 HydrophobicContact CG1-CD1 3.93Å; V2193-L2247 HydrophobicContact CG1-CD2 4.26Å; V2193-S2260 WeakPolarHBondContact CA-O 3.29Å; V2193-V2261 HydrophobicContact CG1-CG2 4.27Å; V2193-V2261 HydrophobicContact CG2-CG1 4.32Å; V2193-V2261 HydrophobicContact CG2-CG2 4.3Å
2194D83.9Confident79.4Confident0 Ų044.4 Ų44.40%023%0.228CC..EExtended strand (participates in β ladder)trans-103.8120.6177.7-72.1-48.9000108.8L1040 Y2229 K2231 Y2259 S2260 R2262L1040-D2194 HydrophobicContact CD1-CB 4.36Å; D2194-Y2229 VanDerWaalsContact CG-OH 3.25Å; D2194-Y2229 PolarHBondContact OD1-OH 2.97Å; D2194-Y2229 VanDerWaalsContact OD1-OH 3.05Å; D2194-K2231 WeakPolarHBondContact OD1-CE 3.19Å; D2194-K2231 WeakPolarHBondContact OD1-CG 3.34Å; D2194-K2231 IonicContact OD1-NZ 3.52Å; D2194-Y2259 CarbonylContact O-C 3.59Å; D2194-Y2259 WeakPolarHBondContact O-CA 3.34Å; D2194-S2260 PolarHBondContact N-O 3.43Å; D2194-S2260 PolarHBondContact O-N 2.92Å; D2194-R2262 IonicContact OD2-CZ 2.67Å; D2194-R2262 VanDerWaalsContact OD2-CZ 3.3Å; D2194-R2262 IonicContact OD2-NE 2.71Å; D2194-R2262 PolarHBondContact OD2-NE 2.92Å; D2194-R2262 VanDerWaalsContact OD2-NE 3.08Å; D2194-R2262 IonicContact OD2-NH2 2.74Å; D2194-R2262 PolarHBondContact OD2-NH2 3.44Å
2195I85.4Confident78.9Confident2 Ų247.6 Ų47.61%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-125.3129.7-176-50.4-179.8000109.4V2193 L2197 F2213 Y2229 Y2230 Y2232 L2247 I2256V2193-I2195 HydrophobicContact CG1-CD1 4.03Å; V2193-I2195 HydrophobicContact CG1-CG1 3.78Å; I2195-L2197 HydrophobicContact CG2-CD2 3.84Å; I2195-F2213 HydrophobicContact CD1-CD2 4.25Å; I2195-F2213 HydrophobicContact CD1-CE2 3.49Å; I2195-F2213 VanDerWaalsContact CD1-CE2 3.49Å; I2195-F2213 HydrophobicContact CD1-CZ 3.87Å; I2195-Y2229 WeakPolarHBondContact O-CA 3.4Å; I2195-Y2230 PolarHBondContact N-O 3.05Å; I2195-Y2230 PolarHBondContact O-N 3.38Å; I2195-Y2232 HydrophobicContact CD1-CD2 4.16Å; I2195-Y2232 HydrophobicContact CD1-CE2 4.15Å; I2195-L2247 HydrophobicContact CD1-CD2 3.79Å; I2195-L2247 HydrophobicContact CG1-CD2 4.17Å; I2195-I2256 HydrophobicContact CG2-CD1 3.8Å; I2195-I2256 HydrophobicContact CG2-CG1 3.76Å; I2195-I2256 HydrophobicContact CG2-CG2 4.07Å
2196R82.4Confident78.7Confident21 Ų2145.7 Ų45.78%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-111.7124.3167.1-178.1167.7155.4171.3-16.4110.4E814 S1038 L1040 H2199 Y2228 Y2229 E2257 H2258E814-R2196 IonicContact OE1-CZ 3.75Å; E814-R2196 IonicContact OE1-NH1 2.81Å; E814-R2196 PolarHBondContact OE1-NH1 3.21Å; E814-R2196 IonicContact OE1-NH2 2.89Å; E814-R2196 PolarHBondContact OE1-NH2 2.74Å; S1038-R2196 PolarHBondContact OG-NH1 3.42Å; L1040-R2196 HydrophobicContact CD2-CB 3.59Å; R2196-H2199 PolarHBondContact NE-NE2 3.48Å; R2196-H2199 PolarHBondContact NH2-NE2 3.47Å; R2196-Y2228 CarbonylContact C-O 3.44Å; R2196-Y2228 WeakPolarHBondContact CA-O 3.38Å; R2196-Y2229 HydrophobicContact CB-CD2 4.28Å; R2196-E2257 IonicContact CZ-OE2 3.39Å; R2196-E2257 IonicContact NE-OE2 2.71Å; R2196-E2257 PolarHBondContact NE-OE2 3.37Å; R2196-E2257 IonicContact NH2-OE1 3.83Å; R2196-E2257 IonicContact NH2-OE2 3.21Å; R2196-E2257 PolarHBondContact NH2-OE2 3.32Å; R2196-E2257 PolarHBondContact O-N 3.07Å; R2196-H2258 PolarHBondContact N-O 2.6Å; R2196-H2258 PolarHBondContact O-N 3.17Å
2197L82.2Confident78.5Confident4 Ų445.9 Ų45.92%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-85.8149.5177.7-54.4-174.3000110.6I2195 I2206 L2209 Y2228 Y2230 I2255 I2256I2195-L2197 HydrophobicContact CG2-CD2 3.84Å; L2197-I2206 HydrophobicContact CD1-CB 4.5Å; L2197-I2206 HydrophobicContact CD1-CD1 4.39Å; L2197-I2206 HydrophobicContact CD1-CG1 3.86Å; L2197-I2206 HydrophobicContact CD1-CG2 4.31Å; L2197-L2209 HydrophobicContact CD1-CD1 3.93Å; L2197-L2209 HydrophobicContact CD2-CD1 3.42Å; L2197-L2209 VanDerWaalsContact CD2-CD1 3.42Å; L2197-L2209 HydrophobicContact CG-CD1 4.35Å; L2197-Y2228 HydrophobicContact CB-CD1 4.38Å; L2197-Y2228 PolarHBondContact N-O 3.4Å; L2197-Y2230 HydrophobicContact CD1-CD2 3.91Å; L2197-Y2230 HydrophobicContact CD1-CE2 3.64Å; L2197-Y2230 HydrophobicContact CG-CD2 4.05Å; L2197-Y2230 HydrophobicContact CG-CE2 4.17Å; L2197-I2255 WeakPolarHBondContact CA-O 3.46Å; L2197-I2256 HydrophobicContact CD2-CG1 4.11Å
2198N78.1Confident78.2Confident44 Ų4449.9 Ų49.924%0.23526%0.259CS..  trans-66.5133.7174.1178.3-7.6000110L2200 V2201 H2254 I2255N2198-L2200 PolarHBondContact O-N 2.85Å; N2198-L2200 PolarHBondContact OD1-N 2.84Å; N2198-V2201 HydrophobicContact CB-CG2 4.02Å; N2198-V2201 WeakPolarHBondContact O-CB 3.25Å; N2198-V2201 VanDerWaalsContact O-CG2 3.28Å; N2198-V2201 WeakPolarHBondContact O-CG2 3.08Å; N2198-V2201 PolarHBondContact O-N 3.43Å; N2198-H2254 WeakPolarHBondContact CB-O 3.14Å; N2198-H2254 PolarHBondContact ND2-O 3.49Å; N2198-I2255 PolarHBondContact N-O 3.22Å
2199H69.2Low78.1Confident57 Ų5750.2 Ų50.226%0.26426%0.259SS..THydrogen-bonded Turntrans-61.2-12.3-176.4-65.5-80.5000114.4R2196 Y2228 E2257R2196-H2199 PolarHBondContact NE-NE2 3.48Å; R2196-H2199 PolarHBondContact NH2-NE2 3.47Å; H2199-Y2228 AromaticContact CE1-CD2 3.86Å; H2199-Y2228 AromaticContact ND1-CD2 3.43Å; H2199-Y2228 WeakPolarHBondContact ND1-CD2 3.49Å; H2199-Y2228 AromaticContact ND1-CE2 3.77Å; H2199-Y2228 AromaticContact ND1-CG 3.93Å; H2199-E2257 IonicContact NE2-OE2 3.73Å
2200L72Confident78.1Confident154 Ų15449 Ų4981%0.80625%0.25SS*.THydrogen-bonded Turntrans-83.9-8.6174.7-63.8172.4000113.9N2198N2198-L2200 PolarHBondContact O-N 2.85Å; N2198-L2200 PolarHBondContact OD1-N 2.84Å
2201V71.2Confident77.8Confident12 Ų1253.7 Ų53.77%0.07327%0.274CS..  trans-77.2130.4-175.7179.80000111.1N2198 Q2205 I2206 I2255N2198-V2201 HydrophobicContact CB-CG2 4.02Å; N2198-V2201 WeakPolarHBondContact O-CB 3.25Å; N2198-V2201 VanDerWaalsContact O-CG2 3.28Å; N2198-V2201 WeakPolarHBondContact O-CG2 3.08Å; N2198-V2201 PolarHBondContact O-N 3.43Å; V2201-Q2205 HydrophobicContact CG1-CB 3.6Å; V2201-I2206 HydrophobicContact CG1-CG1 3.92Å; V2201-I2255 HydrophobicContact CG1-CG2 4.26Å; V2201-I2255 HydrophobicContact CG2-CG2 4.12Å
2202T75.8Confident77.4Confident74 Ų7456.7 Ų56.745%0.45429%0.289SS..  trans-80.6153.2-176.965.20000113.1N2204 Q2205 I2206T2202-N2204 PolarHBondContact O-N 3.27Å; T2202-Q2205 WeakPolarHBondContact O-CA 3.36Å; T2202-Q2205 WeakPolarHBondContact O-CB 3.33Å; T2202-Q2205 PolarHBondContact O-N 2.77Å; T2202-Q2205 PolarHBondContact OG1-OE1 3.4Å; T2202-I2206 WeakPolarHBondContact O-CG1 3.24Å; T2202-I2206 PolarHBondContact O-N 2.85Å
2203N73.9Confident77.2Confident117 Ų11755.3 Ų55.363%0.62628%0.283SS*.Hα-helixtrans-52.7-30.6178.2-76.5-16.3000114.4N2207N2203-N2207 PolarHBondContact O-N 3.45Å; N2203-N2207 VanDerWaalsContact O-N 3.08Å; N2203-N2207 PolarHBondContact O-ND2 3.41Å
2204N74.6Confident76.9Confident125 Ų12560.5 Ų60.567%0.66831%0.306SS*.Hα-helixtrans-69.5-44.4175.5-75.20.1000111.6T2202 N2207 Q2208T2202-N2204 PolarHBondContact O-N 3.27Å; N2204-N2207 PolarHBondContact O-N 2.89Å; N2204-Q2208 PolarHBondContact O-N 3.48Å
2205Q73.2Confident76.7Confident80 Ų8067.3 Ų67.337%0.37434%0.342SS..Hα-helixtrans-62.6-42.3173.8-68.8164-63.500110.9V2201 T2202 N2207 Q2208 L2209V2201-Q2205 HydrophobicContact CG1-CB 3.6Å; T2202-Q2205 WeakPolarHBondContact O-CA 3.36Å; T2202-Q2205 WeakPolarHBondContact O-CB 3.33Å; T2202-Q2205 PolarHBondContact O-N 2.77Å; T2202-Q2205 PolarHBondContact OG1-OE1 3.4Å; Q2205-N2207 VanDerWaalsContact C-N 3.27Å; Q2205-N2207 PolarHBondContact O-N 2.04Å; Q2205-Q2208 PolarHBondContact O-N 2.87Å; Q2205-L2209 VanDerWaalsContact O-CB 3.3Å; Q2205-L2209 WeakPolarHBondContact O-CB 3.2Å; Q2205-L2209 PolarHBondContact O-N 3.28Å
2206I73.6Confident76.5Confident5 Ų571.4 Ų71.43%0.02636%0.36CS..Hα-helixtrans-56.5-41174.8-63178.7000111.3L2197 V2201 T2202 K2210 Y2228 Y2230L2197-I2206 HydrophobicContact CD1-CB 4.5Å; L2197-I2206 HydrophobicContact CD1-CD1 4.39Å; L2197-I2206 HydrophobicContact CD1-CG1 3.86Å; L2197-I2206 HydrophobicContact CD1-CG2 4.31Å; V2201-I2206 HydrophobicContact CG1-CG1 3.92Å; T2202-I2206 WeakPolarHBondContact O-CG1 3.24Å; T2202-I2206 PolarHBondContact O-N 2.85Å; I2206-K2210 HydrophobicContact CG2-CD 4.45Å; I2206-K2210 WeakPolarHBondContact O-CG 3.06Å; I2206-K2210 PolarHBondContact O-N 2.9Å; I2206-Y2228 HydrophobicContact CD1-CD1 4.38Å; I2206-Y2228 HydrophobicContact CD1-CE1 4.21Å; I2206-Y2230 HydrophobicContact CG2-CE2 4.35Å; I2206-Y2230 WeakPolarHBondContact CG2-OH 3.28Å
2207N77.1Confident76.5Confident81 Ų8170.8 Ų70.843%0.43336%0.358SS..Hα-helixtrans-75.8-34.1178.9-70.8-19.2000112.9N2203 N2204 Q2205 N2211N2203-N2207 PolarHBondContact O-N 3.45Å; N2203-N2207 VanDerWaalsContact O-N 3.08Å; N2203-N2207 PolarHBondContact O-ND2 3.41Å; N2204-N2207 PolarHBondContact O-N 2.89Å; Q2205-N2207 VanDerWaalsContact C-N 3.27Å; Q2205-N2207 PolarHBondContact O-N 2.04Å; N2207-N2211 PolarHBondContact O-N 2.95Å; N2207-N2211 VanDerWaalsContact O-N 3.11Å; N2207-N2211 PolarHBondContact O-OD1 3.39Å
2208Q75.5Confident76.2Confident132 Ų13274.7 Ų74.762%0.61738%0.384SS*.Hα-helixtrans-61.8-44.9168.5-74.3-179-82.300111.5N2204 Q2205 K2210 N2211 E2212N2204-Q2208 PolarHBondContact O-N 3.48Å; Q2205-Q2208 PolarHBondContact O-N 2.87Å; Q2208-K2210 PolarHBondContact O-N 2.7Å; Q2208-N2211 PolarHBondContact O-N 3.23Å; Q2208-N2211 VanDerWaalsContact O-N 3.09Å; Q2208-E2212 PolarHBondContact O-N 3.12Å
2209L74.3Confident76.2Confident13 Ų1377.4 Ų77.47%0.06840%0.398CS..Hα-helixtrans-59.1-46.9179.4-154.7179.7000111L2197 Q2205 N2211 E2212 F2213 M2250 I2255L2197-L2209 HydrophobicContact CD1-CD1 3.93Å; L2197-L2209 HydrophobicContact CD2-CD1 3.42Å; L2197-L2209 VanDerWaalsContact CD2-CD1 3.42Å; L2197-L2209 HydrophobicContact CG-CD1 4.35Å; Q2205-L2209 VanDerWaalsContact O-CB 3.3Å; Q2205-L2209 WeakPolarHBondContact O-CB 3.2Å; Q2205-L2209 PolarHBondContact O-N 3.28Å; L2209-N2211 VanDerWaalsContact C-N 3.33Å; L2209-N2211 PolarHBondContact O-N 3.11Å; L2209-E2212 PolarHBondContact O-N 3.36Å; L2209-F2213 HydrophobicContact CD2-CD2 3.85Å; L2209-F2213 HydrophobicContact CD2-CE2 4.49Å; L2209-F2213 PolarHBondContact O-N 2.81Å; L2209-M2250 HydrophobicContact CD1-SD 4.23Å; L2209-M2250 HydrophobicContact CD2-CE 3.88Å; L2209-M2250 HydrophobicContact CD2-SD 3.59Å; L2209-M2250 VanDerWaalsContact CD2-SD 3.59Å; L2209-M2250 HydrophobicContact CG-SD 3.58Å; L2209-M2250 VanDerWaalsContact CG-SD 3.58Å; L2209-I2255 HydrophobicContact CD1-CG2 3.58Å
2210K76.7Confident76.6Confident51 Ų5175 Ų7522%0.22239%0.388CS..Hα-helixtrans-56-46.6172.2-74.8167.2-175.1165.20111.9I2206 Q2208 F2213 H2214 Y2230I2206-K2210 HydrophobicContact CG2-CD 4.45Å; I2206-K2210 WeakPolarHBondContact O-CG 3.06Å; I2206-K2210 PolarHBondContact O-N 2.9Å; Q2208-K2210 PolarHBondContact O-N 2.7Å; K2210-F2213 PolarHBondContact O-N 3.37Å; K2210-H2214 WeakPolarHBondContact O-CB 3.35Å; K2210-H2214 PolarHBondContact O-N 3.14Å; K2210-Y2230 PolarHBondContact NZ-OH 3.4Å
2211N78.3Confident76.9Confident104 Ų10472.8 Ų72.856%0.55638%0.375SS*.Hα-helixtrans-67-40.8-178.5-69.1-6.4000112N2207 Q2208 L2209 H2214 L2215N2207-N2211 PolarHBondContact O-N 2.95Å; N2207-N2211 VanDerWaalsContact O-N 3.11Å; N2207-N2211 PolarHBondContact O-OD1 3.39Å; Q2208-N2211 PolarHBondContact O-N 3.23Å; Q2208-N2211 VanDerWaalsContact O-N 3.09Å; L2209-N2211 VanDerWaalsContact C-N 3.33Å; L2209-N2211 PolarHBondContact O-N 3.11Å; N2211-H2214 PolarHBondContact O-N 3.01Å; N2211-L2215 VanDerWaalsContact O-CB 3.29Å; N2211-L2215 WeakPolarHBondContact O-CB 3.49Å; N2211-L2215 WeakPolarHBondContact O-CD1 3.47Å; N2211-L2215 VanDerWaalsContact O-CG 3.26Å; N2211-L2215 WeakPolarHBondContact O-CG 3.31Å; N2211-L2215 PolarHBondContact O-N 2.85Å
2212E77.1Confident77.2Confident86 Ų8675.2 Ų75.240%0.40239%0.388SS..Hα-helixtrans-62.3-44173.3-84.9-146.599.300112.4Q2208 L2209 H2214 L2215 K2216Q2208-E2212 PolarHBondContact O-N 3.12Å; L2209-E2212 PolarHBondContact O-N 3.36Å; E2212-H2214 VanDerWaalsContact C-N 3.33Å; E2212-H2214 PolarHBondContact O-N 2.69Å; E2212-L2215 PolarHBondContact O-N 3.1Å; E2212-K2216 PolarHBondContact O-N 3.2Å; E2212-K2216 IonicContact OE1-NZ 3.11Å; E2212-K2216 PolarHBondContact OE1-NZ 3.49Å; E2212-K2216 VanDerWaalsContact OE1-NZ 3.11Å
2213F80.2Confident76.8Confident0 Ų075.4 Ų75.40%039%0.386CS..Hα-helixtrans-61.2-44.2176.4-120.5-69.5000111.2I2195 L2209 K2210 K2216 F2217 Y2232 M2234 L2243 L2246 L2247 M2250I2195-F2213 HydrophobicContact CD1-CD2 4.25Å; I2195-F2213 HydrophobicContact CD1-CE2 3.49Å; I2195-F2213 VanDerWaalsContact CD1-CE2 3.49Å; I2195-F2213 HydrophobicContact CD1-CZ 3.87Å; L2209-F2213 HydrophobicContact CD2-CD2 3.85Å; L2209-F2213 HydrophobicContact CD2-CE2 4.49Å; L2209-F2213 PolarHBondContact O-N 2.81Å; K2210-F2213 PolarHBondContact O-N 3.37Å; F2213-K2216 PolarHBondContact O-N 3.38Å; F2213-F2217 AromaticContact CD1-CD2 3.71Å; F2213-F2217 HydrophobicContact CD1-CD2 3.71Å; F2213-F2217 HydrophobicContact CD1-CE2 4.36Å; F2213-F2217 AromaticContact CE1-CD2 3.71Å; F2213-F2217 HydrophobicContact CE1-CD2 3.71Å; F2213-F2217 AromaticContact CE1-CE2 3.98Å; F2213-F2217 HydrophobicContact CE1-CE2 3.98Å; F2213-F2217 WeakPolarHBondContact O-CB 3.09Å; F2213-F2217 PolarHBondContact O-N 3.05Å; F2213-Y2232 HydrophobicContact CB-CE1 4.39Å; F2213-M2234 HydrophobicContact CD1-CE 3.95Å; F2213-M2234 HydrophobicContact CE1-CE 3.47Å; F2213-M2234 VanDerWaalsContact CE1-CE 3.47Å; F2213-M2234 HydrophobicContact CZ-CE 4.45Å; F2213-L2243 HydrophobicContact CE1-CD1 3.88Å; F2213-L2243 HydrophobicContact CZ-CD1 4.06Å; F2213-L2246 HydrophobicContact CD1-CD2 4.43Å; F2213-L2246 HydrophobicContact CD2-CD2 4.25Å; F2213-L2246 HydrophobicContact CE1-CD2 4.12Å; F2213-L2246 HydrophobicContact CE2-CD2 3.96Å; F2213-L2246 HydrophobicContact CG-CD2 4.47Å; F2213-L2246 HydrophobicContact CZ-CD2 3.88Å; F2213-L2247 HydrophobicContact CE2-CD2 4.09Å; F2213-L2247 HydrophobicContact CZ-CD2 3.9Å; F2213-L2247 HydrophobicContact CZ-CG 4.37Å; F2213-M2250 HydrophobicContact CD2-CE 3.89Å; F2213-M2250 HydrophobicContact CE2-CE 3.68Å
2214H80.1Confident76.2Confident108 Ų10873.4 Ų73.450%0.537%0.373SS..Hα-helixtrans-71.7-28.7-179.3-141-29.6000113.1K2210 N2211 E2212 F2217 P2218K2210-H2214 WeakPolarHBondContact O-CB 3.35Å; K2210-H2214 PolarHBondContact O-N 3.14Å; N2211-H2214 PolarHBondContact O-N 3.01Å; E2212-H2214 VanDerWaalsContact C-N 3.33Å; E2212-H2214 PolarHBondContact O-N 2.69Å; H2214-F2217 CarbonylContact O-C 3.57Å; H2214-P2218 PolarHBondContact CE1-O 2.94Å; H2214-P2218 WeakPolarHBondContact O-CA 3.28Å
2215L81Confident75.2Confident143 Ų14372.9 Ų72.975%0.74937%0.37SS*.Hα-helixtrans-72.6-42.5173.9-82.3165.4000112.5N2211 E2212N2211-L2215 VanDerWaalsContact O-CB 3.29Å; N2211-L2215 WeakPolarHBondContact O-CB 3.49Å; N2211-L2215 WeakPolarHBondContact O-CD1 3.47Å; N2211-L2215 VanDerWaalsContact O-CG 3.26Å; N2211-L2215 WeakPolarHBondContact O-CG 3.31Å; N2211-L2215 PolarHBondContact O-N 2.85Å; E2212-L2215 PolarHBondContact O-N 3.1Å
2216K79.8Confident74.6Confident88 Ų8873 Ų7338%0.38337%0.37SS..Hα-helixtrans-77.9-29.4177.9-71.5174.5-177.2157.80112.4E2212 F2213 L2246E2212-K2216 PolarHBondContact O-N 3.2Å; E2212-K2216 IonicContact OE1-NZ 3.11Å; E2212-K2216 PolarHBondContact OE1-NZ 3.49Å; E2212-K2216 VanDerWaalsContact OE1-NZ 3.11Å; F2213-K2216 PolarHBondContact O-N 3.38Å; K2216-L2246 HydrophobicContact CD-CD1 3.78Å; K2216-L2246 HydrophobicContact CD-CD2 4.12Å; K2216-L2246 VanDerWaalsContact NZ-CD1 3.33Å
2217F83.3Confident74Confident8 Ų876.4 Ų76.44%0.03539%0.394CS..  trans-132.277.6-178.2-56.8-68.7000111.1F2213 H2214 N2219 S2220 M2234 I2238 L2242 L2243 L2246F2213-F2217 AromaticContact CD1-CD2 3.71Å; F2213-F2217 HydrophobicContact CD1-CD2 3.71Å; F2213-F2217 HydrophobicContact CD1-CE2 4.36Å; F2213-F2217 AromaticContact CE1-CD2 3.71Å; F2213-F2217 HydrophobicContact CE1-CD2 3.71Å; F2213-F2217 AromaticContact CE1-CE2 3.98Å; F2213-F2217 HydrophobicContact CE1-CE2 3.98Å; F2213-F2217 WeakPolarHBondContact O-CB 3.09Å; F2213-F2217 PolarHBondContact O-N 3.05Å; H2214-F2217 CarbonylContact O-C 3.57Å; F2217-N2219 VanDerWaalsContact C-N 3.27Å; F2217-N2219 PolarHBondContact O-N 3.27Å; F2217-S2220 VanDerWaalsContact O-CB 3.3Å; F2217-S2220 WeakPolarHBondContact O-CB 3.3Å; F2217-S2220 PolarHBondContact O-N 2.92Å; F2217-S2220 PolarHBondContact O-OG 3.4Å; F2217-M2234 HydrophobicContact CB-SD 4.48Å; F2217-I2238 HydrophobicContact CB-CD1 4.24Å; F2217-I2238 HydrophobicContact CD1-CD1 3.62Å; F2217-I2238 HydrophobicContact CD1-CG1 3.85Å; F2217-I2238 HydrophobicContact CE1-CD1 4.36Å; F2217-I2238 HydrophobicContact CE1-CG1 4.28Å; F2217-I2238 HydrophobicContact CG-CD1 4.2Å; F2217-L2242 HydrophobicContact CE1-CD2 4.06Å; F2217-L2242 HydrophobicContact CZ-CB 4.43Å; F2217-L2242 HydrophobicContact CZ-CD2 4.1Å; F2217-L2242 HydrophobicContact CZ-CG 4.19Å; F2217-L2243 HydrophobicContact CD2-CD1 4.47Å; F2217-L2243 HydrophobicContact CE2-CD1 3.82Å; F2217-L2243 HydrophobicContact CZ-CB 3.98Å; F2217-L2243 HydrophobicContact CZ-CD1 4.01Å; F2217-L2246 HydrophobicContact CD2-CD2 4.43Å; F2217-L2246 HydrophobicContact CE2-CD2 3.78Å
2218P76.1Confident73.9Confident87 Ų8775.5 Ų75.557%0.56539%0.385SS*.THydrogen-bonded Turntrans-63.5-28.7-174.824.2-34.4000114H2214 S2220H2214-P2218 PolarHBondContact CE1-O 2.94Å; H2214-P2218 WeakPolarHBondContact O-CA 3.28Å; P2218-S2220 PolarHBondContact O-N 2.93Å
2219N77.5Confident74Confident100 Ų10071.7 Ų71.754%0.53537%0.366SS..THydrogen-bonded Turntrans-82.35.8177-64.913000113.4F2217 D2235F2217-N2219 VanDerWaalsContact C-N 3.27Å; F2217-N2219 PolarHBondContact O-N 3.27Å; N2219-D2235 HydrophobicContact CB-CB 4.05Å; N2219-D2235 PolarHBondContact ND2-OD2 3Å
2220S78.2Confident74.3Confident7 Ų771.8 Ų71.85%0.04937%0.365CS..  trans-77.6131.8-178.965.60000112.2F2217 P2218 Q2233 M2234F2217-S2220 VanDerWaalsContact O-CB 3.3Å; F2217-S2220 WeakPolarHBondContact O-CB 3.3Å; F2217-S2220 PolarHBondContact O-N 2.92Å; F2217-S2220 PolarHBondContact O-OG 3.4Å; P2218-S2220 PolarHBondContact O-N 2.93Å; S2220-Q2233 CarbonylContact C-O 3.51Å; S2220-Q2233 WeakPolarHBondContact CA-O 3.43Å; S2220-M2234 WeakPolarHBondContact CB-SD 3.4Å
2221I78.2Confident74.6Confident107 Ų10770.2 Ų70.255%0.54936%0.358SS..EExtended strand (participates in β ladder)trans-110.5119.3-177.6-53.9174000108.9N2223 Y2232 Q2233I2221-N2223 PolarHBondContact O-N 3.23Å; I2221-Y2232 CarbonylContact O-C 3.48Å; I2221-Y2232 WeakPolarHBondContact O-CA 3.43Å; I2221-Q2233 HydrophobicContact CB-CB 4.23Å; I2221-Q2233 PolarHBondContact N-O 3.34Å; I2221-Q2233 PolarHBondContact O-N 3.35Å
2222L78Confident74.9Confident63 Ų6365.8 Ų65.833%0.3333%0.334SS..EExtended strand (participates in β ladder)trans-80.6113.2175.5-17571.8000110.2L2225 Y2230 Y2232L2222-L2225 HydrophobicContact CD2-CD1 3.94Å; L2222-L2225 HydrophobicContact CD2-CD2 4.49Å; L2222-L2225 HydrophobicContact CD2-CG 4Å; L2222-Y2230 HydrophobicContact CD1-CD1 3.95Å; L2222-Y2230 HydrophobicContact CD2-CD1 4.33Å; L2222-Y2232 HydrophobicContact CB-CD1 4.43Å; L2222-Y2232 HydrophobicContact CB-CE1 4.39Å; L2222-Y2232 HydrophobicContact CD1-CD1 4.1Å; L2222-Y2232 HydrophobicContact CD1-CD2 4.07Å; L2222-Y2232 HydrophobicContact CD1-CE1 3.94Å; L2222-Y2232 HydrophobicContact CD1-CE2 3.9Å; L2222-Y2232 HydrophobicContact CD1-CG 4.17Å
2223N66.9Low75.3Confident78 Ų7862.4 Ų62.442%0.41732%0.318SS..EExtended strand (participates in β ladder)trans-87-41-174.5-75.2-22.4000113.5I2221 K2231 Q2233I2221-N2223 PolarHBondContact O-N 3.23Å; N2223-K2231 HydrophobicContact CB-CG 4.28Å; N2223-K2231 PolarHBondContact N-O 3.45Å; N2223-Q2233 PolarHBondContact ND2-OE1 2.77Å
2224E59.9Low75.6Confident76 Ų7662.5 Ų62.536%0.35532%0.319SS..EExtended strand (participates in β ladder)trans-139.3149.2-174.7-71.7-173.1105.700112.9
2225L55.3Low75.7Confident114 Ų11460.4 Ų60.460%0.59731%0.311SS*.EExtended strand (participates in β ladder)trans-129.8103.2-179.2-93.2146.3000108.9L2222 Y2230L2222-L2225 HydrophobicContact CD2-CD1 3.94Å; L2222-L2225 HydrophobicContact CD2-CD2 4.49Å; L2222-L2225 HydrophobicContact CD2-CG 4Å; L2225-Y2230 HydrophobicContact CD2-CD1 4.34Å; L2225-Y2230 HydrophobicContact CD2-CE1 3.49Å; L2225-Y2230 VanDerWaalsContact CD2-CE1 3.49Å; L2225-Y2230 HydrophobicContact CG-CE1 4.35Å
2226Q59.4Low75.4Confident81 Ų8157.6 Ų57.638%0.37929%0.293SS..EExtended strand (participates in β ladder)trans-109.8158.8152.4-55.5-163.116.800108.1D1023 Y2228 Y2229D1023-Q2226 PolarHBondContact OD1-NE2 3.2Å; D1023-Q2226 PolarHBondContact OD1-OE1 3.48Å; Q2226-Y2228 PolarHBondContact O-N 3.5Å; Q2226-Y2229 PolarHBondContact N-O 2.95Å; Q2226-Y2229 PolarHBondContact O-N 2.97Å; Q2226-Y2229 VanDerWaalsContact O-O 3.07Å
2227S61.9Low75.1Confident77 Ų7759.6 Ų59.654%0.53831%0.308SS..THydrogen-bonded Turntrans-42.4-45.1-164.8-46.70000115.1
2228Y73.4Confident75Confident62 Ų6260.3 Ų60.324%0.24331%0.312CS..THydrogen-bonded Turntrans-125.117.9-179.9-59.8-82.1000113.4R2196 L2197 H2199 I2206 Q2226R2196-Y2228 CarbonylContact C-O 3.44Å; R2196-Y2228 WeakPolarHBondContact CA-O 3.38Å; L2197-Y2228 HydrophobicContact CB-CD1 4.38Å; L2197-Y2228 PolarHBondContact N-O 3.4Å; H2199-Y2228 AromaticContact CE1-CD2 3.86Å; H2199-Y2228 AromaticContact ND1-CD2 3.43Å; H2199-Y2228 WeakPolarHBondContact ND1-CD2 3.49Å; H2199-Y2228 AromaticContact ND1-CE2 3.77Å; H2199-Y2228 AromaticContact ND1-CG 3.93Å; I2206-Y2228 HydrophobicContact CD1-CD1 4.38Å; I2206-Y2228 HydrophobicContact CD1-CE1 4.21Å; Q2226-Y2228 PolarHBondContact O-N 3.5Å
2229Y77.9Confident75.4Confident53 Ų5361.2 Ų61.221%0.20831%0.308CS..EExtended strand (participates in β ladder)trans-128.6127.2179.6-174.6-84.8000111.4L1040 D2194 I2195 R2196 Q2226 K2231L1040-Y2229 HydrophobicContact CD2-CE2 4.16Å; D2194-Y2229 VanDerWaalsContact CG-OH 3.25Å; D2194-Y2229 PolarHBondContact OD1-OH 2.97Å; D2194-Y2229 VanDerWaalsContact OD1-OH 3.05Å; I2195-Y2229 WeakPolarHBondContact O-CA 3.4Å; R2196-Y2229 HydrophobicContact CB-CD2 4.28Å; Q2226-Y2229 PolarHBondContact N-O 2.95Å; Q2226-Y2229 PolarHBondContact O-N 2.97Å; Q2226-Y2229 VanDerWaalsContact O-O 3.07Å; Y2229-K2231 HydrophobicContact CE1-CB 4.34Å
2230Y81.1Confident75.6Confident14 Ų1456.7 Ų56.76%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-130.4121.8-171-68.7-88000110.3I2195 L2197 I2206 K2210 L2222 L2225I2195-Y2230 PolarHBondContact N-O 3.05Å; I2195-Y2230 PolarHBondContact O-N 3.38Å; L2197-Y2230 HydrophobicContact CD1-CD2 3.91Å; L2197-Y2230 HydrophobicContact CD1-CE2 3.64Å; L2197-Y2230 HydrophobicContact CG-CD2 4.05Å; L2197-Y2230 HydrophobicContact CG-CE2 4.17Å; I2206-Y2230 HydrophobicContact CG2-CE2 4.35Å; I2206-Y2230 WeakPolarHBondContact CG2-OH 3.28Å; K2210-Y2230 PolarHBondContact NZ-OH 3.4Å; L2222-Y2230 HydrophobicContact CD1-CD1 3.95Å; L2222-Y2230 HydrophobicContact CD2-CD1 4.33Å; L2225-Y2230 HydrophobicContact CD2-CD1 4.34Å; L2225-Y2230 HydrophobicContact CD2-CE1 3.49Å; L2225-Y2230 VanDerWaalsContact CD2-CE1 3.49Å; L2225-Y2230 HydrophobicContact CG-CE1 4.35Å
2231K82.5Confident75.9Confident18 Ų1857 Ų578%0.07829%0.286CS..EExtended strand (participates in β ladder)trans-110.7112.7175.7172.5172-78.8-1670110.1Q2192 D2194 N2223 Y2229Q2192-K2231 HydrophobicContact CG-CD 4.3Å; Q2192-K2231 HydrophobicContact CG-CG 4.1Å; D2194-K2231 WeakPolarHBondContact OD1-CE 3.19Å; D2194-K2231 WeakPolarHBondContact OD1-CG 3.34Å; D2194-K2231 IonicContact OD1-NZ 3.52Å; N2223-K2231 HydrophobicContact CB-CG 4.28Å; N2223-K2231 PolarHBondContact N-O 3.45Å; Y2229-K2231 HydrophobicContact CE1-CB 4.34Å
2232Y85.3Confident76.2Confident12 Ų1255.5 Ų55.55%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-102.6135.8176.1-69.2-95.6000110.9Q2192 V2193 I2195 F2213 I2221 L2222 M2234Q2192-Y2232 CarbonylContact C-O 3.55Å; Q2192-Y2232 WeakPolarHBondContact CA-O 3.41Å; V2193-Y2232 PolarHBondContact N-O 3.19Å; V2193-Y2232 PolarHBondContact O-N 2.93Å; I2195-Y2232 HydrophobicContact CD1-CD2 4.16Å; I2195-Y2232 HydrophobicContact CD1-CE2 4.15Å; F2213-Y2232 HydrophobicContact CB-CE1 4.39Å; I2221-Y2232 CarbonylContact O-C 3.48Å; I2221-Y2232 WeakPolarHBondContact O-CA 3.43Å; L2222-Y2232 HydrophobicContact CB-CD1 4.43Å; L2222-Y2232 HydrophobicContact CB-CE1 4.39Å; L2222-Y2232 HydrophobicContact CD1-CD1 4.1Å; L2222-Y2232 HydrophobicContact CD1-CD2 4.07Å; L2222-Y2232 HydrophobicContact CD1-CE1 3.94Å; L2222-Y2232 HydrophobicContact CD1-CE2 3.9Å; L2222-Y2232 HydrophobicContact CD1-CG 4.17Å; Y2232-M2234 HydrophobicContact CG-CE 4.23Å
2233Q85.2Confident76.6Confident15 Ų1552.5 Ų52.57%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-93.9133.3164.9-162.366.738.200108.8N2189 Y2191 S2220 I2221 N2223N2189-Q2233 PolarHBondContact O-NE2 3.28Å; Y2191-Q2233 PolarHBondContact O-NE2 3.2Å; Y2191-Q2233 VanDerWaalsContact O-NE2 3.17Å; S2220-Q2233 CarbonylContact C-O 3.51Å; S2220-Q2233 WeakPolarHBondContact CA-O 3.43Å; I2221-Q2233 HydrophobicContact CB-CB 4.23Å; I2221-Q2233 PolarHBondContact N-O 3.34Å; I2221-Q2233 PolarHBondContact O-N 3.35Å; N2223-Q2233 PolarHBondContact ND2-OE1 2.77Å
2234M86.4Confident77.5Confident2 Ų248.9 Ų48.91%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-117.8139.6-175.7-62-56.7-177.900110G2190 Y2191 V2193 F2213 F2217 S2220 Y2232 I2238 L2243G2190-M2234 WeakPolarHBondContact CA-O 3.42Å; Y2191-M2234 PolarHBondContact N-O 3.39Å; Y2191-M2234 PolarHBondContact O-N 3.2Å; V2193-M2234 HydrophobicContact CB-CE 4.08Å; V2193-M2234 HydrophobicContact CG2-CE 3.74Å; V2193-M2234 HydrophobicContact CG2-CG 3.7Å; F2213-M2234 HydrophobicContact CD1-CE 3.95Å; F2213-M2234 HydrophobicContact CE1-CE 3.47Å; F2213-M2234 VanDerWaalsContact CE1-CE 3.47Å; F2213-M2234 HydrophobicContact CZ-CE 4.45Å; F2217-M2234 HydrophobicContact CB-SD 4.48Å; S2220-M2234 WeakPolarHBondContact CB-SD 3.4Å; Y2232-M2234 HydrophobicContact CG-CE 4.23Å; M2234-I2238 HydrophobicContact CB-CD1 3.79Å; M2234-I2238 HydrophobicContact CG-CD1 4.24Å; M2234-I2238 HydrophobicContact SD-CD1 3.85Å; M2234-L2243 HydrophobicContact CE-CD1 4.19Å
2235D82.2Confident78.7Confident64 Ų6448.2 Ų48.234%0.34225%0.245SC..  trans-59.2161.2177.8-155.5-16.7000112.6N2219 N2237N2219-D2235 HydrophobicContact CB-CB 4.05Å; N2219-D2235 PolarHBondContact ND2-OD2 3Å; D2235-N2237 VanDerWaalsContact C-N 3.33Å; D2235-N2237 PolarHBondContact O-N 2.84Å
2236K74Confident80.1Confident84 Ų8443.2 Ų43.237%0.36522%0.219SC..THydrogen-bonded Turntrans-63.3-39.2178.1-68.9-174.8-174.7-178.90112.3N2185 R2186 G2188 I2238N2185-K2236 WeakPolarHBondContact O-CE 3.31Å; N2185-K2236 PolarHBondContact O-NZ 2.71Å; R2186-K2236 PolarHBondContact O-NZ 3.3Å; G2188-K2236 WeakPolarHBondContact O-CE 3.34Å; K2236-I2238 PolarHBondContact O-N 2.78Å
2237N75.2Confident81.4Confident130 Ų13039.3 Ų39.370%0.69520%0.201SC*.THydrogen-bonded Turntrans-89.526.1-170.8-60.82000112.7D2235D2235-N2237 VanDerWaalsContact C-N 3.33Å; D2235-N2237 PolarHBondContact O-N 2.84Å
2238I80.4Confident82.3Confident23 Ų2336.6 Ų36.612%0.11818%0.18CC..  trans-83.6139.3180-105170.4000111.3F2217 M2234 K2236 L2240F2217-I2238 HydrophobicContact CB-CD1 4.24Å; F2217-I2238 HydrophobicContact CD1-CD1 3.62Å; F2217-I2238 HydrophobicContact CD1-CG1 3.85Å; F2217-I2238 HydrophobicContact CE1-CD1 4.36Å; F2217-I2238 HydrophobicContact CE1-CG1 4.28Å; F2217-I2238 HydrophobicContact CG-CD1 4.2Å; M2234-I2238 HydrophobicContact CB-CD1 3.79Å; M2234-I2238 HydrophobicContact CG-CD1 4.24Å; M2234-I2238 HydrophobicContact SD-CD1 3.85Å; K2236-I2238 PolarHBondContact O-N 2.78Å; I2238-L2240 PolarHBondContact O-N 3.42Å
2239Q83.9Confident82.8Confident105 Ų10539.3 Ų39.349%0.49120%0.195SC..  trans-73.7103.8170.9-71.5175.8-19.400109.9E1125 S2241 L2242 L2243E1125-Q2239 WeakPolarHBondContact OE2-CA 3.3Å; E1125-Q2239 WeakPolarHBondContact OE2-CB 3.09Å; Q2239-S2241 PolarHBondContact O-N 3.4Å; Q2239-L2242 HydrophobicContact CB-CB 3.99Å; Q2239-L2242 PolarHBondContact O-N 3.37Å; Q2239-L2243 PolarHBondContact O-N 2.82Å; Q2239-L2243 VanDerWaalsContact O-N 3.11Å
2240L83.3Confident82.9Confident5 Ų537.1 Ų37.13%0.02619%0.187CC..Hα-helixtrans-61-34172.9-62.9165000110.5F1121 E1125 Y2191 I2238 L2242 L2243 F2244 V2261F1121-L2240 HydrophobicContact CB-CB 4.19Å; F1121-L2240 HydrophobicContact CD1-CB 4.26Å; F1121-L2240 HydrophobicContact CD1-CD1 3.63Å; F1121-L2240 HydrophobicContact CD2-CB 4.18Å; F1121-L2240 HydrophobicContact CD2-CD1 4.47Å; F1121-L2240 HydrophobicContact CE1-CD1 3.56Å; F1121-L2240 HydrophobicContact CE2-CD1 4.38Å; F1121-L2240 HydrophobicContact CG-CB 3.95Å; F1121-L2240 HydrophobicContact CG-CD1 4.13Å; F1121-L2240 HydrophobicContact CZ-CD1 3.96Å; E1125-L2240 WeakPolarHBondContact OE1-CA 3.35Å; E1125-L2240 VanDerWaalsContact OE1-CB 3.24Å; E1125-L2240 WeakPolarHBondContact OE1-CB 3.29Å; E1125-L2240 PolarHBondContact OE1-N 3.34Å; Y2191-L2240 HydrophobicContact CD1-CD2 4Å; Y2191-L2240 HydrophobicContact CD2-CD2 4.01Å; Y2191-L2240 HydrophobicContact CE1-CD1 4.27Å; Y2191-L2240 HydrophobicContact CE1-CD2 4.05Å; Y2191-L2240 HydrophobicContact CE2-CD1 4.19Å; Y2191-L2240 HydrophobicContact CE2-CD2 4.04Å; Y2191-L2240 HydrophobicContact CE2-CG 4.35Å; Y2191-L2240 HydrophobicContact CG-CD2 4.01Å; I2238-L2240 PolarHBondContact O-N 3.42Å; L2240-L2242 VanDerWaalsContact C-N 3.33Å; L2240-L2242 PolarHBondContact O-N 2.88Å; L2240-L2243 HydrophobicContact CD2-CD2 4.37Å; L2240-L2243 PolarHBondContact O-N 3.04Å; L2240-F2244 HydrophobicContact CB-CD2 4.3Å; L2240-F2244 HydrophobicContact CB-CE2 4.37Å; L2240-F2244 VanDerWaalsContact O-CD2 3.29Å; L2240-F2244 WeakPolarHBondContact O-CD2 3.36Å; L2240-F2244 PolarHBondContact O-N 2.95Å; L2240-V2261 HydrophobicContact CD2-CG1 4.43Å
2241S83.3Confident82.9Confident14 Ų1439.3 Ų39.310%0.09820%0.197CC..Hα-helixtrans-57.4-43.4175.762.40000112.8S1118 E1125 Q2239 T2245S1118-S2241 WeakPolarHBondContact O-CB 3.31Å; E1125-S2241 PolarHBondContact OE1-N 2.84Å; E1125-S2241 VanDerWaalsContact OE2-CB 3.24Å; E1125-S2241 WeakPolarHBondContact OE2-CB 3.2Å; E1125-S2241 PolarHBondContact OE2-N 2.84Å; E1125-S2241 PolarHBondContact OE2-OG 3.31Å; Q2239-S2241 PolarHBondContact O-N 3.4Å; S2241-T2245 PolarHBondContact O-N 3.18Å; S2241-T2245 PolarHBondContact O-OG1 3.18Å
2242L84.9Confident82.8Confident76 Ų7644.2 Ų44.240%0.39822%0.222SC..Hα-helixtrans-71.1-37175.5-169.871.5000112.1F2217 Q2239 L2240 T2245 L2246F2217-L2242 HydrophobicContact CE1-CD2 4.06Å; F2217-L2242 HydrophobicContact CZ-CB 4.43Å; F2217-L2242 HydrophobicContact CZ-CD2 4.1Å; F2217-L2242 HydrophobicContact CZ-CG 4.19Å; Q2239-L2242 HydrophobicContact CB-CB 3.99Å; Q2239-L2242 PolarHBondContact O-N 3.37Å; L2240-L2242 VanDerWaalsContact C-N 3.33Å; L2240-L2242 PolarHBondContact O-N 2.88Å; L2242-T2245 WeakPolarHBondContact CA-OG1 3.33Å; L2242-T2245 PolarHBondContact O-OG1 3.26Å; L2242-L2246 WeakPolarHBondContact O-CB 3.43Å; L2242-L2246 PolarHBondContact O-N 3.5Å; L2242-L2246 VanDerWaalsContact O-N 3.15Å
2243L86.8Confident82.5Confident0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-67-47.6180-179.464.5000112.4V2193 F2213 F2217 M2234 Q2239 L2240 L2246 L2247 V2261V2193-L2243 HydrophobicContact CG2-CD1 4.23Å; V2193-L2243 HydrophobicContact CG2-CD2 3.78Å; F2213-L2243 HydrophobicContact CE1-CD1 3.88Å; F2213-L2243 HydrophobicContact CZ-CD1 4.06Å; F2217-L2243 HydrophobicContact CD2-CD1 4.47Å; F2217-L2243 HydrophobicContact CE2-CD1 3.82Å; F2217-L2243 HydrophobicContact CZ-CB 3.98Å; F2217-L2243 HydrophobicContact CZ-CD1 4.01Å; M2234-L2243 HydrophobicContact CE-CD1 4.19Å; Q2239-L2243 PolarHBondContact O-N 2.82Å; Q2239-L2243 VanDerWaalsContact O-N 3.11Å; L2240-L2243 HydrophobicContact CD2-CD2 4.37Å; L2240-L2243 PolarHBondContact O-N 3.04Å; L2243-L2246 PolarHBondContact O-N 3.17Å; L2243-L2247 HydrophobicContact CD1-CD1 4.05Å; L2243-L2247 HydrophobicContact CD1-CG 4.49Å; L2243-L2247 HydrophobicContact CG-CD1 4Å; L2243-L2247 WeakPolarHBondContact O-CG 3.29Å; L2243-L2247 PolarHBondContact O-N 3.29Å; L2243-V2261 HydrophobicContact CD2-CG1 3.83Å
2244F86.1Confident82.1Confident1 Ų154.4 Ų54.40%0.00427%0.273CS..Hα-helixtrans-68-36179.1-80.8-68.8000112.6Y1050 I1112 L1117 F1121 L1150 L2240 L2247 N2248 Y2259 V2261Y1050-F2244 HydrophobicContact CE1-CZ 4.43Å; I1112-F2244 HydrophobicContact CG2-CD1 4.34Å; L1117-F2244 HydrophobicContact CD2-CD1 3.93Å; L1117-F2244 HydrophobicContact CD2-CD2 3.97Å; L1117-F2244 HydrophobicContact CD2-CE1 3.74Å; L1117-F2244 HydrophobicContact CD2-CE2 3.8Å; L1117-F2244 HydrophobicContact CD2-CG 4.05Å; L1117-F2244 HydrophobicContact CD2-CZ 3.68Å; L1117-F2244 HydrophobicContact CG-CD2 4.49Å; F1121-F2244 HydrophobicContact CD2-CE2 4.48Å; F1121-F2244 HydrophobicContact CE2-CE2 4.34Å; L1150-F2244 HydrophobicContact CD2-CE2 3.58Å; L1150-F2244 HydrophobicContact CD2-CZ 3.58Å; L2240-F2244 HydrophobicContact CB-CD2 4.3Å; L2240-F2244 HydrophobicContact CB-CE2 4.37Å; L2240-F2244 VanDerWaalsContact O-CD2 3.29Å; L2240-F2244 WeakPolarHBondContact O-CD2 3.36Å; L2240-F2244 PolarHBondContact O-N 2.95Å; F2244-L2247 PolarHBondContact O-N 3.22Å; F2244-N2248 VanDerWaalsContact O-CB 3.32Å; F2244-N2248 WeakPolarHBondContact O-CB 3.35Å; F2244-N2248 VanDerWaalsContact O-CG 3.32Å; F2244-N2248 PolarHBondContact O-N 3.11Å; F2244-Y2259 HydrophobicContact CD1-CE2 4.24Å; F2244-Y2259 HydrophobicContact CE1-CE2 4.2Å; F2244-V2261 HydrophobicContact CD1-CG2 4.44Å; F2244-V2261 HydrophobicContact CE1-CB 3.88Å; F2244-V2261 HydrophobicContact CE1-CG1 4.4Å; F2244-V2261 HydrophobicContact CE1-CG2 3.77Å; F2244-V2261 HydrophobicContact CE2-CG1 4.2Å; F2244-V2261 HydrophobicContact CZ-CB 3.63Å; F2244-V2261 HydrophobicContact CZ-CG1 3.78Å; F2244-V2261 HydrophobicContact CZ-CG2 4Å
2245T83.5Confident81.7Confident62 Ų6256.3 Ų56.338%0.3828%0.283SS..Hα-helixtrans-63.8-41.9173.939.10000111.9S2241 L2242 Q2249S2241-T2245 PolarHBondContact O-N 3.18Å; S2241-T2245 PolarHBondContact O-OG1 3.18Å; L2242-T2245 WeakPolarHBondContact CA-OG1 3.33Å; L2242-T2245 PolarHBondContact O-OG1 3.26Å; T2245-Q2249 WeakPolarHBondContact O-CB 3.06Å; T2245-Q2249 PolarHBondContact O-N 2.86Å; T2245-Q2249 VanDerWaalsContact O-N 3.1Å
2246L85.7Confident81.7Confident9 Ų953.5 Ų53.55%0.04727%0.268CS..Hα-helixtrans-61.7-47174.9-175.469.6000112.8F2213 K2216 F2217 L2242 L2243 Q2249 M2250F2213-L2246 HydrophobicContact CD1-CD2 4.43Å; F2213-L2246 HydrophobicContact CD2-CD2 4.25Å; F2213-L2246 HydrophobicContact CE1-CD2 4.12Å; F2213-L2246 HydrophobicContact CE2-CD2 3.96Å; F2213-L2246 HydrophobicContact CG-CD2 4.47Å; F2213-L2246 HydrophobicContact CZ-CD2 3.88Å; K2216-L2246 HydrophobicContact CD-CD1 3.78Å; K2216-L2246 HydrophobicContact CD-CD2 4.12Å; K2216-L2246 VanDerWaalsContact NZ-CD1 3.33Å; F2217-L2246 HydrophobicContact CD2-CD2 4.43Å; F2217-L2246 HydrophobicContact CE2-CD2 3.78Å; L2242-L2246 WeakPolarHBondContact O-CB 3.43Å; L2242-L2246 PolarHBondContact O-N 3.5Å; L2242-L2246 VanDerWaalsContact O-N 3.15Å; L2243-L2246 PolarHBondContact O-N 3.17Å; L2246-Q2249 PolarHBondContact O-N 3.29Å; L2246-M2250 HydrophobicContact CD1-CE 3.94Å; L2246-M2250 HydrophobicContact CD2-CE 3.94Å; L2246-M2250 HydrophobicContact CG-CE 3.62Å; L2246-M2250 PolarHBondContact O-N 3.46Å; L2246-M2250 VanDerWaalsContact O-N 3.11Å
2247L85.9Confident81.9Confident0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-68-41.2-177.2-72.7167.6000112.3V2193 I2195 F2213 L2243 F2244 M2250 Q2251 I2256 Y2259 V2261V2193-L2247 HydrophobicContact CG1-CD1 3.93Å; V2193-L2247 HydrophobicContact CG1-CD2 4.26Å; I2195-L2247 HydrophobicContact CD1-CD2 3.79Å; I2195-L2247 HydrophobicContact CG1-CD2 4.17Å; F2213-L2247 HydrophobicContact CE2-CD2 4.09Å; F2213-L2247 HydrophobicContact CZ-CD2 3.9Å; F2213-L2247 HydrophobicContact CZ-CG 4.37Å; L2243-L2247 HydrophobicContact CD1-CD1 4.05Å; L2243-L2247 HydrophobicContact CD1-CG 4.49Å; L2243-L2247 HydrophobicContact CG-CD1 4Å; L2243-L2247 WeakPolarHBondContact O-CG 3.29Å; L2243-L2247 PolarHBondContact O-N 3.29Å; F2244-L2247 PolarHBondContact O-N 3.22Å; L2247-M2250 PolarHBondContact O-N 2.9Å; L2247-Q2251 WeakPolarHBondContact O-CB 3.37Å; L2247-Q2251 PolarHBondContact O-N 3.22Å; L2247-I2256 HydrophobicContact CD2-CD1 3.94Å; L2247-Y2259 HydrophobicContact CB-CD1 4.12Å; L2247-Y2259 HydrophobicContact CB-CD2 4.14Å; L2247-Y2259 HydrophobicContact CB-CE1 3.92Å; L2247-Y2259 HydrophobicContact CB-CE2 3.96Å; L2247-Y2259 HydrophobicContact CB-CG 4.23Å; L2247-Y2259 HydrophobicContact CD1-CD2 3.83Å; L2247-Y2259 HydrophobicContact CD1-CE2 3.98Å; L2247-Y2259 HydrophobicContact CD1-CG 4.44Å; L2247-Y2259 HydrophobicContact CD2-CD2 4.49Å; L2247-Y2259 HydrophobicContact CD2-CG 4.31Å; L2247-Y2259 HydrophobicContact CG-CD2 4.39Å; L2247-V2261 HydrophobicContact CD1-CG2 3.46Å; L2247-V2261 VanDerWaalsContact CD1-CG2 3.46Å
2248N81.4Confident82.2Confident19 Ų1947.8 Ų47.810%0.10224%0.238CC..Hα-helixtrans-60.2-44.9173.1-79.9-11000111.9I1112 F2244 Q2251 M2252 Y2259I1112-N2248 PolarHBondContact O-ND2 3.09Å; F2244-N2248 VanDerWaalsContact O-CB 3.32Å; F2244-N2248 WeakPolarHBondContact O-CB 3.35Å; F2244-N2248 VanDerWaalsContact O-CG 3.32Å; F2244-N2248 PolarHBondContact O-N 3.11Å; N2248-Q2251 PolarHBondContact O-N 3.46Å; N2248-M2252 WeakPolarHBondContact O-CG 3.17Å; N2248-M2252 PolarHBondContact O-N 3.14Å; N2248-Y2259 PolarHBondContact OD1-OH 3.35Å
2249Q82.9Confident82.5Confident120 Ų12048 Ų4856%0.56124%0.238SC*.Hα-helixtrans-60.4-49.6179.7-170.4171.16.800111.2T2245 L2246 Q2251 M2252 D2253T2245-Q2249 WeakPolarHBondContact O-CB 3.06Å; T2245-Q2249 PolarHBondContact O-N 2.86Å; T2245-Q2249 VanDerWaalsContact O-N 3.1Å; L2246-Q2249 PolarHBondContact O-N 3.29Å; Q2249-Q2251 VanDerWaalsContact C-N 3.26Å; Q2249-Q2251 PolarHBondContact O-N 3.25Å; Q2249-M2252 WeakPolarHBondContact O-CB 3.18Å; Q2249-M2252 PolarHBondContact O-N 2.93Å; Q2249-D2253 PolarHBondContact O-N 3.37Å
2250M80.8Confident82.6Confident7 Ų743.2 Ų43.23%0.03422%0.216CC..Hα-helixtrans-68.7-17.7177.8-76.9-163.7-89.900115.1L2209 F2213 L2246 L2247 I2255 I2256L2209-M2250 HydrophobicContact CD1-SD 4.23Å; L2209-M2250 HydrophobicContact CD2-CE 3.88Å; L2209-M2250 HydrophobicContact CD2-SD 3.59Å; L2209-M2250 VanDerWaalsContact CD2-SD 3.59Å; L2209-M2250 HydrophobicContact CG-SD 3.58Å; L2209-M2250 VanDerWaalsContact CG-SD 3.58Å; F2213-M2250 HydrophobicContact CD2-CE 3.89Å; F2213-M2250 HydrophobicContact CE2-CE 3.68Å; L2246-M2250 HydrophobicContact CD1-CE 3.94Å; L2246-M2250 HydrophobicContact CD2-CE 3.94Å; L2246-M2250 HydrophobicContact CG-CE 3.62Å; L2246-M2250 PolarHBondContact O-N 3.46Å; L2246-M2250 VanDerWaalsContact O-N 3.11Å; L2247-M2250 PolarHBondContact O-N 2.9Å; M2250-I2255 PolarHBondContact O-N 3.42Å; M2250-I2256 HydrophobicContact CB-CD1 3.54Å; M2250-I2256 HydrophobicContact CB-CG1 3.93Å; M2250-I2256 PolarHBondContact O-N 2.7Å; M2250-I2256 VanDerWaalsContact O-N 3.08Å; M2250-I2256 HydrophobicContact SD-CD1 4.5Å
2251Q81.6Confident82.8Confident59 Ų5943 Ų4328%0.27621%0.214SC..Hα-helixtrans-81.6-38.2170.4-167.2174.73400112L2247 N2248 Q2249 D2253 H2254 I2256 E2257L2247-Q2251 WeakPolarHBondContact O-CB 3.37Å; L2247-Q2251 PolarHBondContact O-N 3.22Å; N2248-Q2251 PolarHBondContact O-N 3.46Å; Q2249-Q2251 VanDerWaalsContact C-N 3.26Å; Q2249-Q2251 PolarHBondContact O-N 3.25Å; Q2251-D2253 VanDerWaalsContact C-N 3.29Å; Q2251-D2253 PolarHBondContact O-N 3.18Å; Q2251-H2254 PolarHBondContact O-N 3.06Å; Q2251-H2254 VanDerWaalsContact O-N 3.11Å; Q2251-I2256 HydrophobicContact CB-CB 4.4Å; Q2251-E2257 PolarHBondContact NE2-O 3.32Å
2252M79.6Confident82.9Confident121 Ų12143.8 Ų43.860%0.59622%0.215SC*.Hα-helixtrans-60.6-39.6170.8-68.7-72.7-176.200111.2I1113 N2248 Q2249 H2254I1113-M2252 HydrophobicContact CG2-CE 3.82Å; N2248-M2252 WeakPolarHBondContact O-CG 3.17Å; N2248-M2252 PolarHBondContact O-N 3.14Å; Q2249-M2252 WeakPolarHBondContact O-CB 3.18Å; Q2249-M2252 PolarHBondContact O-N 2.93Å; M2252-H2254 PolarHBondContact O-N 3.1Å; M2252-H2254 VanDerWaalsContact O-N 3.12Å
2253D79.9Confident82.9Confident99 Ų9940.8 Ų40.853%0.52920%0.199SC..THydrogen-bonded Turntrans-72.34.2175.7-64.7-32.4000114Q2249 Q2251 I2255Q2249-D2253 PolarHBondContact O-N 3.37Å; Q2251-D2253 VanDerWaalsContact C-N 3.29Å; Q2251-D2253 PolarHBondContact O-N 3.18Å; D2253-I2255 HydrophobicContact CB-CD1 4.03Å; D2253-I2255 HydrophobicContact CB-CG1 4Å; D2253-I2255 PolarHBondContact O-N 3.4Å
2254H75.7Confident82.7Confident142 Ų14241 Ų4166%0.65720%0.201SC*.THydrogen-bonded Turntrans58.114.9-179.3-63.8-22.5000116.2N2198 Q2251 M2252N2198-H2254 WeakPolarHBondContact CB-O 3.14Å; N2198-H2254 PolarHBondContact ND2-O 3.49Å; Q2251-H2254 PolarHBondContact O-N 3.06Å; Q2251-H2254 VanDerWaalsContact O-N 3.11Å; M2252-H2254 PolarHBondContact O-N 3.1Å; M2252-H2254 VanDerWaalsContact O-N 3.12Å
2255I79.6Confident82.5Confident42 Ų4244 Ų4422%0.21522%0.219CC..SBendtrans-75.4-45.2175.7-52.2175.3000109.7L2197 N2198 V2201 L2209 M2250 D2253L2197-I2255 WeakPolarHBondContact CA-O 3.46Å; N2198-I2255 PolarHBondContact N-O 3.22Å; V2201-I2255 HydrophobicContact CG1-CG2 4.26Å; V2201-I2255 HydrophobicContact CG2-CG2 4.12Å; L2209-I2255 HydrophobicContact CD1-CG2 3.58Å; M2250-I2255 PolarHBondContact O-N 3.42Å; D2253-I2255 HydrophobicContact CB-CD1 4.03Å; D2253-I2255 HydrophobicContact CB-CG1 4Å; D2253-I2255 PolarHBondContact O-N 3.4Å
2256I80.7Confident82.4Confident5 Ų541.1 Ų41.13%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-89.9127.7173.7-64.1177000108.9I2195 L2197 L2247 M2250 Q2251 H2258 Y2259I2195-I2256 HydrophobicContact CG2-CD1 3.8Å; I2195-I2256 HydrophobicContact CG2-CG1 3.76Å; I2195-I2256 HydrophobicContact CG2-CG2 4.07Å; L2197-I2256 HydrophobicContact CD2-CG1 4.11Å; L2247-I2256 HydrophobicContact CD2-CD1 3.94Å; M2250-I2256 HydrophobicContact CB-CD1 3.54Å; M2250-I2256 HydrophobicContact CB-CG1 3.93Å; M2250-I2256 PolarHBondContact O-N 2.7Å; M2250-I2256 VanDerWaalsContact O-N 3.08Å; M2250-I2256 HydrophobicContact SD-CD1 4.5Å; Q2251-I2256 HydrophobicContact CB-CB 4.4Å; I2256-H2258 WeakPolarHBondContact CG2-O 3.21Å; I2256-Y2259 HydrophobicContact CG2-CD1 4.29Å
2257E79.1Confident82.1Confident60 Ų6041 Ų4128%0.2820%0.201SC..EExtended strand (participates in β ladder)trans-77.9-55.6171.5-172.5173-140.100109.1R2196 H2199 Q2251R2196-E2257 IonicContact CZ-OE2 3.39Å; R2196-E2257 IonicContact NE-OE2 2.71Å; R2196-E2257 PolarHBondContact NE-OE2 3.37Å; R2196-E2257 IonicContact NH2-OE1 3.83Å; R2196-E2257 IonicContact NH2-OE2 3.21Å; R2196-E2257 PolarHBondContact NH2-OE2 3.32Å; R2196-E2257 PolarHBondContact O-N 3.07Å; H2199-E2257 IonicContact NE2-OE2 3.73Å; Q2251-E2257 PolarHBondContact NE2-O 3.32Å
2258H81.9Confident81.8Confident34 Ų3443.6 Ų43.616%0.15721%0.213CC..EExtended strand (participates in β ladder)trans-143.6153178.4-58.3-26.1000111L1040 F1041 S1044 R2196 I2256L1040-H2258 HydrophobicContact CD2-CB 3.78Å; L1040-H2258 WeakPolarHBondContact CD2-O 3.45Å; L1040-H2258 HydrophobicContact CG-CB 3.88Å; F1041-H2258 AromaticContact CD2-NE2 3.96Å; S1044-H2258 PolarHBondContact OG-CD2 2.9Å; S1044-H2258 PolarHBondContact OG-CE1 3.48Å; S1044-H2258 VanDerWaalsContact OG-CE1 3.22Å; S1044-H2258 PolarHBondContact OG-NE2 2.91Å; R2196-H2258 PolarHBondContact N-O 2.6Å; R2196-H2258 PolarHBondContact O-N 3.17Å; I2256-H2258 WeakPolarHBondContact CG2-O 3.21Å
2259Y86.8Confident81.8Confident29 Ų2942.7 Ų42.711%0.11421%0.208CC..EExtended strand (participates in β ladder)trans-142.3164.617275.6-97.8000113.1I1112 D2194 F2244 L2247 N2248 I2256 V2261I1112-Y2259 WeakPolarHBondContact CG2-OH 3.43Å; D2194-Y2259 CarbonylContact O-C 3.59Å; D2194-Y2259 WeakPolarHBondContact O-CA 3.34Å; F2244-Y2259 HydrophobicContact CD1-CE2 4.24Å; F2244-Y2259 HydrophobicContact CE1-CE2 4.2Å; L2247-Y2259 HydrophobicContact CB-CD1 4.12Å; L2247-Y2259 HydrophobicContact CB-CD2 4.14Å; L2247-Y2259 HydrophobicContact CB-CE1 3.92Å; L2247-Y2259 HydrophobicContact CB-CE2 3.96Å; L2247-Y2259 HydrophobicContact CB-CG 4.23Å; L2247-Y2259 HydrophobicContact CD1-CD2 3.83Å; L2247-Y2259 HydrophobicContact CD1-CE2 3.98Å; L2247-Y2259 HydrophobicContact CD1-CG 4.44Å; L2247-Y2259 HydrophobicContact CD2-CD2 4.49Å; L2247-Y2259 HydrophobicContact CD2-CG 4.31Å; L2247-Y2259 HydrophobicContact CG-CD2 4.39Å; N2248-Y2259 PolarHBondContact OD1-OH 3.35Å; I2256-Y2259 HydrophobicContact CG2-CD1 4.29Å; Y2259-V2261 HydrophobicContact CD2-CG2 4.06Å; Y2259-V2261 HydrophobicContact CE2-CG2 4.15Å
2260S86.2Confident81.8Confident4 Ų437.1 Ų37.13%0.02818%0.182CC..EExtended strand (participates in β ladder)trans-145.7145.2174.1163.50000111.4Y1050 D1152 V2193 D2194Y1050-S2260 WeakPolarHBondContact OH-CA 3.18Å; D1152-S2260 PolarHBondContact OD2-OG 3.41Å; V2193-S2260 WeakPolarHBondContact CA-O 3.29Å; D2194-S2260 PolarHBondContact N-O 3.43Å; D2194-S2260 PolarHBondContact O-N 2.92Å
2261V86.9Confident81.6Confident0 Ų037.7 Ų37.70%019%0.186CC..EExtended strand (participates in β ladder)trans-133.8101.8-177.9-178.50000111.7Y1050 V2193 L2240 L2243 F2244 L2247 Y2259Y1050-V2261 HydrophobicContact CE1-CB 4.34Å; Y1050-V2261 VanDerWaalsContact CE1-O 3.27Å; Y1050-V2261 WeakPolarHBondContact CE1-O 3.44Å; Y1050-V2261 PolarHBondContact OH-N 3.46Å; V2193-V2261 HydrophobicContact CG1-CG2 4.27Å; V2193-V2261 HydrophobicContact CG2-CG1 4.32Å; V2193-V2261 HydrophobicContact CG2-CG2 4.3Å; L2240-V2261 HydrophobicContact CD2-CG1 4.43Å; L2243-V2261 HydrophobicContact CD2-CG1 3.83Å; F2244-V2261 HydrophobicContact CD1-CG2 4.44Å; F2244-V2261 HydrophobicContact CE1-CB 3.88Å; F2244-V2261 HydrophobicContact CE1-CG1 4.4Å; F2244-V2261 HydrophobicContact CE1-CG2 3.77Å; F2244-V2261 HydrophobicContact CE2-CG1 4.2Å; F2244-V2261 HydrophobicContact CZ-CB 3.63Å; F2244-V2261 HydrophobicContact CZ-CG1 3.78Å; F2244-V2261 HydrophobicContact CZ-CG2 4Å; L2247-V2261 HydrophobicContact CD1-CG2 3.46Å; L2247-V2261 VanDerWaalsContact CD1-CG2 3.46Å; Y2259-V2261 HydrophobicContact CD2-CG2 4.06Å; Y2259-V2261 HydrophobicContact CE2-CG2 4.15Å
2262R84.6Confident81.4Confident31 Ų3136.9 Ų36.912%0.11718%0.183CC..EExtended strand (participates in β ladder)trans-125.7137.7-170.949.3-176.1167.3178.9-7.3112.9D1019 D1152 Y2191 Q2192 D2194D1019-R2262 IonicContact OD2-CZ 3.19Å; D1019-R2262 IonicContact OD2-NH1 3.58Å; D1019-R2262 PolarHBondContact OD2-NH1 3.04Å; D1019-R2262 IonicContact OD2-NH2 2.78Å; D1019-R2262 PolarHBondContact OD2-NH2 2.85Å; D1152-R2262 VanDerWaalsContact OD1-CD 3.32Å; D1152-R2262 WeakPolarHBondContact OD1-CD 3.45Å; Y2191-R2262 CarbonylContact C-O 3.43Å; Q2192-R2262 HydrophobicContact CB-CG 4.39Å; Q2192-R2262 PolarHBondContact N-O 3.18Å; Q2192-R2262 PolarHBondContact O-N 3.14Å; D2194-R2262 IonicContact OD2-CZ 2.67Å; D2194-R2262 VanDerWaalsContact OD2-CZ 3.3Å; D2194-R2262 IonicContact OD2-NE 2.71Å; D2194-R2262 PolarHBondContact OD2-NE 2.92Å; D2194-R2262 VanDerWaalsContact OD2-NE 3.08Å; D2194-R2262 IonicContact OD2-NH2 2.74Å; D2194-R2262 PolarHBondContact OD2-NH2 3.44Å
2263Q86.1Confident81.3Confident12 Ų1233.4 Ų33.46%0.05617%0.165CC..EExtended strand (participates in β ladder)trans-61.1153.4171.6-162.4-178.312.200110.6L1150 N2185 Y2191 T2265L1150-Q2263 WeakPolarHBondContact O-CB 3.45Å; L1150-Q2263 PolarHBondContact O-N 3.28Å; N2185-Q2263 PolarHBondContact OD1-NE2 3.27Å; Y2191-Q2263 HydrophobicContact CD1-CB 3.93Å; Y2191-Q2263 HydrophobicContact CD1-CG 4.31Å; Y2191-Q2263 HydrophobicContact CE1-CB 3.69Å; Y2191-Q2263 HydrophobicContact CE1-CG 3.94Å; Q2263-T2265 PolarHBondContact O-N 2.79Å
2264T82.2Confident80.8Confident6 Ų628.9 Ų28.94%0.03714%0.141CC..PPolyproline II helixtrans-57.8127.6175.147.30000112.4G2188 N2189 G2190G2188-T2264 WeakPolarHBondContact CA-OG1 3.41Å; N2189-T2264 HydrophobicContact CB-CG2 4.03Å; N2189-T2264 PolarHBondContact N-OG1 3.12Å; G2190-T2264 PolarHBondContact O-N 2.72Å; G2190-T2264 PolarHBondContact O-OG1 3.48Å
2265T82.5Confident80.5Confident63 Ų6323.9 Ų23.939%0.38712%0.122SC..PPolyproline II helixtrans-69.3154.5179.261.40000112Q2263 D2267 Q2268 V2269Q2263-T2265 PolarHBondContact O-N 2.79Å; T2265-D2267 PolarHBondContact O-N 3.44Å; T2265-D2267 VanDerWaalsContact O-N 3.17Å; T2265-Q2268 WeakPolarHBondContact O-CB 3.36Å; T2265-Q2268 PolarHBondContact O-N 2.89Å; T2265-Q2268 PolarHBondContact OG1-N 3.42Å; T2265-V2269 PolarHBondContact O-N 3.3Å
2266L80.4Confident79.5Confident1 Ų126.6 Ų26.61%0.00514%0.137CC..Hα-helixtrans-56.9-30.4173.9-170.473.7000112L1997 M2156 E2160 I2166 L2183 Q2268 V2269 F2270L1997-L2266 HydrophobicContact CD1-CD2 4.27Å; M2156-L2266 HydrophobicContact CB-CB 4.42Å; M2156-L2266 HydrophobicContact CB-CD2 4.25Å; M2156-L2266 HydrophobicContact CG-CB 4.38Å; M2156-L2266 HydrophobicContact CG-CD2 4.13Å; M2156-L2266 HydrophobicContact CG-CG 4.25Å; E2160-L2266 HydrophobicContact CG-CD2 4.14Å; I2166-L2266 HydrophobicContact CD1-CD2 3.75Å; L2183-L2266 HydrophobicContact CB-CD1 4.27Å; L2266-Q2268 VanDerWaalsContact C-N 3.32Å; L2266-Q2268 PolarHBondContact O-N 2.89Å; L2266-V2269 PolarHBondContact O-N 3.42Å; L2266-F2270 WeakPolarHBondContact O-CB 3.35Å; L2266-F2270 PolarHBondContact O-N 2.98Å
2267D79.4Confident78.2Confident7 Ų728 Ų284%0.03714%0.143CC..Hα-helixtrans-66.5-31.4176.1-150.444.8000112.3P989 R993 M2156 T2265 V2271P989-D2267 WeakPolarHBondContact CB-OD1 3.39Å; R993-D2267 IonicContact CZ-OD2 2.7Å; R993-D2267 IonicContact NH1-OD2 3.78Å; R993-D2267 PolarHBondContact NH1-OD2 3.22Å; R993-D2267 IonicContact NH2-OD2 3.47Å; M2156-D2267 HydrophobicContact CB-CB 4.21Å; M2156-D2267 WeakPolarHBondContact CE-OD1 3.43Å; M2156-D2267 HydrophobicContact CG-CB 4.04Å; M2156-D2267 WeakPolarHBondContact CG-OD1 3.15Å; T2265-D2267 PolarHBondContact O-N 3.44Å; T2265-D2267 VanDerWaalsContact O-N 3.17Å; D2267-V2271 VanDerWaalsContact O-CG2 3.28Å; D2267-V2271 WeakPolarHBondContact O-CG2 3.38Å; D2267-V2271 PolarHBondContact O-N 3.34Å
2268Q80.4Confident76.8Confident54 Ų5428.9 Ų28.925%0.25215%0.149SC..Hα-helixtrans-75.3-43.5173.1-162.3726.500111.7T2265 L2266 F2270 V2271 N2272T2265-Q2268 WeakPolarHBondContact O-CB 3.36Å; T2265-Q2268 PolarHBondContact O-N 2.89Å; T2265-Q2268 PolarHBondContact OG1-N 3.42Å; L2266-Q2268 VanDerWaalsContact C-N 3.32Å; L2266-Q2268 PolarHBondContact O-N 2.89Å; Q2268-F2270 VanDerWaalsContact C-N 3.29Å; Q2268-F2270 PolarHBondContact O-N 2.78Å; Q2268-V2271 PolarHBondContact O-N 2.77Å; Q2268-V2271 VanDerWaalsContact O-N 3.12Å; Q2268-N2272 PolarHBondContact O-N 2.91Å; Q2268-N2272 PolarHBondContact O-OD1 3.48Å
2269V81.2Confident75.1Confident1 Ų132.2 Ų32.21%0.00617%0.168CC..Hα-helixtrans-54.1-47.7174.1175.10000110.7F2187 T2265 L2266 V2271 N2272 F2273F2187-V2269 HydrophobicContact CB-CG1 3.65Å; T2265-V2269 PolarHBondContact O-N 3.3Å; L2266-V2269 PolarHBondContact O-N 3.42Å; V2269-V2271 PolarHBondContact O-N 2.95Å; V2269-N2272 PolarHBondContact O-N 3Å; V2269-F2273 HydrophobicContact CG1-CD2 4.01Å; V2269-F2273 HydrophobicContact CG1-CE2 4Å; V2269-F2273 WeakPolarHBondContact O-CD2 3.37Å; V2269-F2273 PolarHBondContact O-N 2.91Å
2270F82.2Confident72.9Confident3 Ų337.9 Ų37.91%0.01320%0.195CC..Hα-helixtrans-64.2-37.5177.8176.4-90.5000113.4P989 L1997 V1999 M2156 I2168 L2266 Q2268 S2274P989-F2270 HydrophobicContact CB-CD1 4.18Å; P989-F2270 HydrophobicContact CB-CE1 4.14Å; P989-F2270 HydrophobicContact CG-CE1 4.44Å; L1997-F2270 HydrophobicContact CD2-CD2 4.48Å; L1997-F2270 HydrophobicContact CD2-CE2 4.38Å; V1999-F2270 HydrophobicContact CB-CZ 4.48Å; V1999-F2270 HydrophobicContact CG1-CE1 3.93Å; V1999-F2270 HydrophobicContact CG1-CZ 3.6Å; M2156-F2270 HydrophobicContact CE-CB 3.35Å; M2156-F2270 HydrophobicContact CE-CD1 3.26Å; M2156-F2270 HydrophobicContact CE-CD2 3.6Å; M2156-F2270 HydrophobicContact CE-CE1 3.9Å; M2156-F2270 HydrophobicContact CE-CE2 4.19Å; M2156-F2270 HydrophobicContact CE-CG 3.08Å; M2156-F2270 HydrophobicContact CE-CZ 4.31Å; I2168-F2270 HydrophobicContact CD1-CD2 4.42Å; I2168-F2270 HydrophobicContact CG2-CD2 3.85Å; I2168-F2270 HydrophobicContact CG2-CE2 4.02Å; L2266-F2270 WeakPolarHBondContact O-CB 3.35Å; L2266-F2270 PolarHBondContact O-N 2.98Å; Q2268-F2270 VanDerWaalsContact C-N 3.29Å; Q2268-F2270 PolarHBondContact O-N 2.78Å; F2270-S2274 WeakPolarHBondContact O-CB 3.38Å; F2270-S2274 PolarHBondContact O-N 3.37Å; F2270-S2274 VanDerWaalsContact O-N 3.16Å; F2270-S2274 PolarHBondContact O-OG 3.49Å
2271V76.3Confident70.8Confident19 Ų1940.6 Ų40.612%0.11521%0.209CC..Hα-helixtrans-63.7-46.1175.9164.40000110.5R993 D2267 Q2268 V2269 F2273 S2274 S2275R993-V2271 HydrophobicContact CG-CG2 4.3Å; D2267-V2271 VanDerWaalsContact O-CG2 3.28Å; D2267-V2271 WeakPolarHBondContact O-CG2 3.38Å; D2267-V2271 PolarHBondContact O-N 3.34Å; Q2268-V2271 PolarHBondContact O-N 2.77Å; Q2268-V2271 VanDerWaalsContact O-N 3.12Å; V2269-V2271 PolarHBondContact O-N 2.95Å; V2271-F2273 PolarHBondContact O-N 3.3Å; V2271-S2274 CarbonylContact O-C 3.41Å; V2271-S2274 PolarHBondContact O-N 3.39Å; V2271-S2274 PolarHBondContact O-OG 2.71Å; V2271-S2275 PolarHBondContact O-N 2.98Å; V2271-S2275 PolarHBondContact O-OG 3.06Å; V2271-S2275 VanDerWaalsContact O-OG 3.07Å
2272N78.6Confident68.4Low41 Ų4144 Ų4422%0.21923%0.226CC..Hα-helixtrans-54.2-54.4177.6-65.2-5.3000111.3N2189 Q2268 V2269 S2274 S2275N2189-N2272 PolarHBondContact ND2-ND2 2.89Å; N2189-N2272 PolarHBondContact OD1-ND2 3.45Å; Q2268-N2272 PolarHBondContact O-N 2.91Å; Q2268-N2272 PolarHBondContact O-OD1 3.48Å; V2269-N2272 PolarHBondContact O-N 3Å; N2272-S2274 PolarHBondContact O-N 2.93Å; N2272-S2274 VanDerWaalsContact O-N 3.13Å; N2272-S2275 WeakPolarHBondContact CA-OG 3.36Å; N2272-S2275 PolarHBondContact O-N 3.16Å; N2272-S2275 PolarHBondContact O-OG 3.15Å
2273F76.2Confident66.1Low48 Ų4847.6 Ų47.621%0.21125%0.248CC..Hα-helixtrans-58.6-25.1177.2-87.1-62.5000114.6I2170 C2176 F2187 V2269 V2271I2170-F2273 HydrophobicContact CD1-CB 3.82Å; I2170-F2273 HydrophobicContact CD1-CD1 4.47Å; I2170-F2273 HydrophobicContact CD1-CG 4.41Å; C2176-F2273 HydrophobicContact CB-CZ 4.29Å; F2187-F2273 HydrophobicContact CB-CE2 3.68Å; F2187-F2273 HydrophobicContact CB-CZ 4.12Å; F2187-F2273 AromaticContact CD1-CE2 3.99Å; F2187-F2273 HydrophobicContact CD1-CE2 3.99Å; F2187-F2273 AromaticContact CD1-CZ 3.5Å; F2187-F2273 HydrophobicContact CD1-CZ 3.5Å; F2187-F2273 AromaticContact CD2-CE2 3.85Å; F2187-F2273 HydrophobicContact CD2-CE2 3.85Å; F2187-F2273 AromaticContact CD2-CZ 3.92Å; F2187-F2273 HydrophobicContact CD2-CZ 3.92Å; F2187-F2273 AromaticContact CE1-CZ 3.77Å; F2187-F2273 HydrophobicContact CE1-CZ 3.77Å; F2187-F2273 HydrophobicContact CE2-CE2 4.46Å; F2187-F2273 HydrophobicContact CE2-CZ 4.16Å; F2187-F2273 AromaticContact CG-CE2 3.57Å; F2187-F2273 HydrophobicContact CG-CE2 3.57Å; F2187-F2273 AromaticContact CG-CZ 3.57Å; F2187-F2273 HydrophobicContact CG-CZ 3.57Å; F2187-F2273 HydrophobicContact CZ-CZ 4.08Å; V2269-F2273 HydrophobicContact CG1-CD2 4.01Å; V2269-F2273 HydrophobicContact CG1-CE2 4Å; V2269-F2273 WeakPolarHBondContact O-CD2 3.37Å; V2269-F2273 PolarHBondContact O-N 2.91Å; V2271-F2273 PolarHBondContact O-N 3.3Å
2274S70.5Confident63.8Low4 Ų450.2 Ų50.23%0.02827%0.265CS..Hα-helixtrans-98.4-16.4-179.853.20000114.3F2270 V2271 N2272 E2277F2270-S2274 WeakPolarHBondContact O-CB 3.38Å; F2270-S2274 PolarHBondContact O-N 3.37Å; F2270-S2274 VanDerWaalsContact O-N 3.16Å; F2270-S2274 PolarHBondContact O-OG 3.49Å; V2271-S2274 CarbonylContact O-C 3.41Å; V2271-S2274 PolarHBondContact O-N 3.39Å; V2271-S2274 PolarHBondContact O-OG 2.71Å; N2272-S2274 PolarHBondContact O-N 2.93Å; N2272-S2274 VanDerWaalsContact O-N 3.13Å; S2274-E2277 WeakPolarHBondContact O-CB 3.35Å
2275S68.1Low61.5Low38 Ų3852.6 Ų52.627%0.26628%0.277SS..Hα-helixtrans-68.6-39.9168.631.20000112.9V2271 N2272 E2277 M2278 N2279V2271-S2275 PolarHBondContact O-N 2.98Å; V2271-S2275 PolarHBondContact O-OG 3.06Å; V2271-S2275 VanDerWaalsContact O-OG 3.07Å; N2272-S2275 WeakPolarHBondContact CA-OG 3.36Å; N2272-S2275 PolarHBondContact O-N 3.16Å; N2272-S2275 PolarHBondContact O-OG 3.15Å; S2275-E2277 PolarHBondContact O-N 3.08Å; S2275-M2278 PolarHBondContact O-N 3.48Å; S2275-M2278 VanDerWaalsContact O-N 3.08Å; S2275-N2279 PolarHBondContact O-N 3.31Å
2276D60.1Low59.1Low98 Ų9854.6 Ų54.652%0.52429%0.286SS..Hα-helixtrans-61.6-29.6178.9-63-24.4000112.1M2278 H2280D2276-M2278 VanDerWaalsContact C-N 3.31Å; D2276-M2278 PolarHBondContact O-N 2.87Å; D2276-H2280 PolarHBondContact O-N 3.11Å
2277E53.8Low56.9Low34 Ų3460 Ų6016%0.15931%0.313CS..Hα-helixtrans-62.3-35.4176.4-162.8177.4-134.700112.3I2170 N2171 S2274 S2275 I2281I2170-E2277 HydrophobicContact CG2-CB 4.44Å; I2170-E2277 HydrophobicContact CG2-CG 4.17Å; I2170-E2277 WeakPolarHBondContact CG2-OE1 3.47Å; N2171-E2277 WeakPolarHBondContact CA-OE1 3.5Å; N2171-E2277 WeakPolarHBondContact CB-OE1 3.42Å; N2171-E2277 PolarHBondContact N-OE1 3.18Å; N2171-E2277 VanDerWaalsContact ND2-CG 3.25Å; N2171-E2277 WeakPolarHBondContact ND2-CG 3.4Å; N2171-E2277 PolarHBondContact ND2-OE1 3.07Å; S2274-E2277 WeakPolarHBondContact O-CB 3.35Å; S2275-E2277 PolarHBondContact O-N 3.08Å; E2277-I2281 HydrophobicContact CG-CD1 4.39Å; E2277-I2281 VanDerWaalsContact O-CD1 3.26Å; E2277-I2281 WeakPolarHBondContact O-CD1 3.49Å; E2277-I2281 VanDerWaalsContact O-CG1 3.23Å; E2277-I2281 WeakPolarHBondContact O-CG1 3.34Å
2278M49.1Very low54.7Low80 Ų8065.4 Ų65.439%0.39434%0.339SS..Hα-helixtrans-85.4-37.5179.8-78.1-160170.900113.5Y990 S2275 D2276 H2280 I2281 D2282Y990-M2278 HydrophobicContact CE1-CE 3.94Å; Y990-M2278 HydrophobicContact CE1-SD 3.75Å; Y990-M2278 PolarHBondContact OH-SD 2.82Å; Y990-M2278 VanDerWaalsContact OH-SD 3.34Å; S2275-M2278 PolarHBondContact O-N 3.48Å; S2275-M2278 VanDerWaalsContact O-N 3.08Å; D2276-M2278 VanDerWaalsContact C-N 3.31Å; D2276-M2278 PolarHBondContact O-N 2.87Å; M2278-H2280 PolarHBondContact O-N 3.2Å; M2278-I2281 PolarHBondContact O-N 2.97Å; M2278-D2282 PolarHBondContact O-N 2.76Å
2279N45.3Very low52.3Low103 Ų10371.2 Ų71.255%0.55136%0.363SS*.Hα-helixtrans-57.4-37.4177.3-70.7-23.3000111.8S2275 N2283S2275-N2279 PolarHBondContact O-N 3.31Å; N2279-N2283 WeakPolarHBondContact O-CB 3.44Å; N2279-N2283 PolarHBondContact O-N 3.01Å; N2279-N2283 PolarHBondContact O-ND2 3.41Å
2280H41.9Very low49.9Very low149 Ų14978.5 Ų78.569%0.6940%0.401SS*.Hα-helixtrans-73.3-27.8172.3-92.9-67.1000114.6D2276 M2278 V2284D2276-H2280 PolarHBondContact O-N 3.11Å; M2278-H2280 PolarHBondContact O-N 3.2Å; H2280-V2284 VanDerWaalsContact O-CG2 3.27Å; H2280-V2284 WeakPolarHBondContact O-CG2 3.24Å; H2280-V2284 PolarHBondContact O-N 3.11Å
2281I41.7Very low47.2Very low61 Ų6189.7 Ų89.731%0.31345%0.453SS..Hα-helixtrans-79.2-43.5-179.1-74.1170.7000111.2E2277 M2278 V2284 N2285E2277-I2281 HydrophobicContact CG-CD1 4.39Å; E2277-I2281 VanDerWaalsContact O-CD1 3.26Å; E2277-I2281 WeakPolarHBondContact O-CD1 3.49Å; E2277-I2281 VanDerWaalsContact O-CG1 3.23Å; E2277-I2281 WeakPolarHBondContact O-CG1 3.34Å; M2278-I2281 PolarHBondContact O-N 2.97Å; I2281-V2284 PolarHBondContact O-N 3.2Å; I2281-N2285 WeakPolarHBondContact CG2-ND2 3.48Å; I2281-N2285 PolarHBondContact O-N 3.46Å; I2281-N2285 PolarHBondContact O-ND2 3.21Å; I2281-N2285 VanDerWaalsContact O-ND2 3.15Å
2282D36.7Very low45.7Very low70 Ų7093.3 Ų93.337%0.37447%0.47SS..Hα-helixtrans-71.7-35.4-177.7-72.1-20.9000112M2278 V2284 N2285 N2286M2278-D2282 PolarHBondContact O-N 2.76Å; D2282-V2284 VanDerWaalsContact C-N 3.35Å; D2282-V2284 PolarHBondContact O-N 3.15Å; D2282-N2285 PolarHBondContact O-N 3.45Å; D2282-N2286 WeakPolarHBondContact O-CB 3.25Å; D2282-N2286 VanDerWaalsContact O-CG 3.25Å; D2282-N2286 PolarHBondContact O-N 3.08Å; D2282-N2286 PolarHBondContact O-ND2 3.34Å
2283N35.8Very low44Very low108 Ų10896 Ų9658%0.57848%0.483SS*.Hα-helixtrans-62.4-37.5170.2-78.9-22.7000113N2279 I2287N2279-N2283 WeakPolarHBondContact O-CB 3.44Å; N2279-N2283 PolarHBondContact O-N 3.01Å; N2279-N2283 PolarHBondContact O-ND2 3.41Å; N2283-I2287 WeakPolarHBondContact O-CD1 3.36Å; N2283-I2287 WeakPolarHBondContact O-CG1 3.2Å
2284V38Very low42.2Very low67 Ų6798.7 Ų98.741%0.40650%0.498SS..Hα-helixtrans-72.8-38.8176169.80000111.9H2280 I2281 D2282 N2286 I2287 E2288H2280-V2284 VanDerWaalsContact O-CG2 3.27Å; H2280-V2284 WeakPolarHBondContact O-CG2 3.24Å; H2280-V2284 PolarHBondContact O-N 3.11Å; I2281-V2284 PolarHBondContact O-N 3.2Å; D2282-V2284 VanDerWaalsContact C-N 3.35Å; D2282-V2284 PolarHBondContact O-N 3.15Å; V2284-N2286 VanDerWaalsContact C-N 3.34Å; V2284-N2286 PolarHBondContact O-N 2.83Å; V2284-I2287 PolarHBondContact O-N 3.38Å; V2284-E2288 PolarHBondContact O-N 2.89Å
2285N33Very low40.5Very low55 Ų55104.2 Ų104.229%0.29453%0.526SS..Hα-helixtrans-66.3-34.8177.8-67.8-32.1000112.5I2281 D2282 I2287 E2288I2281-N2285 WeakPolarHBondContact CG2-ND2 3.48Å; I2281-N2285 PolarHBondContact O-N 3.46Å; I2281-N2285 PolarHBondContact O-ND2 3.21Å; I2281-N2285 VanDerWaalsContact O-ND2 3.15Å; D2282-N2285 PolarHBondContact O-N 3.45Å; N2285-I2287 PolarHBondContact O-N 3.16Å; N2285-E2288 PolarHBondContact O-N 3.43Å
2286N32.1Very low38.8Very low105 Ų105108.4 Ų108.456%0.56154%0.542SS*.Hα-helixtrans-66.6-23.8176-72.9-24.3000112.8D2282 V2284D2282-N2286 WeakPolarHBondContact O-CB 3.25Å; D2282-N2286 VanDerWaalsContact O-CG 3.25Å; D2282-N2286 PolarHBondContact O-N 3.08Å; D2282-N2286 PolarHBondContact O-ND2 3.34Å; V2284-N2286 VanDerWaalsContact C-N 3.34Å; V2284-N2286 PolarHBondContact O-N 2.83Å
2287I35.8Very low37.4Very low115 Ų115109.1 Ų109.159%0.5954%0.543SS*.Hα-helixtrans-81.5-34.2176.5-63.5165.9000111.5N2283 V2284 N2285 F2289 I2290N2283-I2287 WeakPolarHBondContact O-CD1 3.36Å; N2283-I2287 WeakPolarHBondContact O-CG1 3.2Å; V2284-I2287 PolarHBondContact O-N 3.38Å; N2285-I2287 PolarHBondContact O-N 3.16Å; I2287-F2289 PolarHBondContact O-N 2.85Å; I2287-F2289 VanDerWaalsContact O-N 3.08Å; I2287-I2290 PolarHBondContact O-N 2.97Å
2288E32.2Very low36.2Very low121 Ų121114.4 Ų114.457%0.56557%0.571SS**THydrogen-bonded Turntrans-66.2-1169.6-81.4-166.4167.200112.7K1977 V2284 N2285K1977-E2288 IonicContact NZ-OE1 3.33Å; K1977-E2288 PolarHBondContact NZ-OE1 2.73Å; K1977-E2288 IonicContact NZ-OE2 2.74Å; V2284-E2288 PolarHBondContact O-N 2.89Å; N2285-E2288 PolarHBondContact O-N 3.43Å
2289F30.5Very low35.2Very low176 Ų176117.1 Ų117.177%0.77258%0.584SS**THydrogen-bonded Turntrans-95.1-0.8174.4-137.3-84.4000114.2I2287I2287-F2289 PolarHBondContact O-N 2.85Å; I2287-F2289 VanDerWaalsContact O-N 3.08Å
2290I29.5Very low34.4Very low154 Ų154118.3 Ų118.379%0.7959%0.587SS**  trans-114.913.1-178.3-58179.1000111I2287I2287-I2290 PolarHBondContact O-N 2.97Å
2291Q25.8Very low33.7Very low238 Ų238115.5 Ų115.5100%1.11258%0.578SS**  trans-118.80169.3-70.4-167.4-17.300111.6

Retrieved 2,291 of 2,291 residues in 1822.5 ms (Link to these results)

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