A0A096N6I9_PAPAN Loading...

ETS-related transcription factor Elf-3

Transcriptional activator that binds and transactivates ETS sequences containing the consensus nucleotide core sequence GGA[AT]. Acts synergistically with POU2F3 to transactivate the SPRR2A promoter and with RUNX1 to transactivate the ANGPT1 promoter. Also transactivates collagenase, CCL20, CLND7, FLG, KRT8, NOS2, PTGS2, SPRR2B, TGFBR2 and TGM3 promoters. Represses KRT4 promoter activity. Involved in mediating vascular inflammation. May play an important role in epithelial cell differentiation and tumorigenesis. May be a critical downstream effector of the ERBB2 signaling pathway. May be associated with mammary gland development and involution. Plays an important role in the regulation of transcription with TATA-less promoters in preimplantation embryos, which is essential in preimplantation development.

AlphaFold DB (A0A0D9RNM1), UniProt , Accession A0A096N6I9, Species PAPAN (Papio anubis, Olive baboon), Gene ELF3, Length 371 aa.

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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
1M39.8Very low56.7Low215 Ų21575.5 Ų75.5100%1.05944%0.442SS*.  0-25.80-64.4-173.5-173.800113.2T4M1-T4 PolarHBondContact O-OG1 3.35Å
2A38.2Very low58Low67 Ų6774.7 Ų74.755%0.55444%0.443SS*.Hα-helixtrans-67.2-58.5177.400000113.6T4 C5 E6A2-T4 PolarHBondContact O-N 2.69Å; A2-C5 WeakPolarHBondContact O-CA 3.45Å; A2-C5 WeakPolarHBondContact O-CB 3.42Å; A2-C5 PolarHBondContact O-N 3.18Å; A2-E6 PolarHBondContact O-N 2.84Å
3A44.2Very low59.4Low58 Ų5877.6 Ų77.648%0.47946%0.455SS..Hα-helixtrans-55.3-29.7-174.300000115.5C5 E6 I7A3-C5 VanDerWaalsContact C-N 3.31Å; A3-C5 PolarHBondContact O-N 3.14Å; A3-E6 PolarHBondContact O-N 2.91Å; A3-I7 WeakPolarHBondContact O-CG1 3.48Å; A3-I7 PolarHBondContact O-N 2.99Å; A3-I7 VanDerWaalsContact O-N 3.12Å
4T46.9Very low60.6Low53 Ų5374 Ų7433%0.32543%0.43SS..Hα-helixtrans-65.5-33.5174.940.20000112.4M1 A2 S8 E81M1-T4 PolarHBondContact O-OG1 3.35Å; A2-T4 PolarHBondContact O-N 2.69Å; T4-S8 VanDerWaalsContact O-CB 3.31Å; T4-S8 WeakPolarHBondContact O-CB 3.46Å; T4-S8 PolarHBondContact O-N 3.5Å; T4-S8 PolarHBondContact O-OG 2.98Å; T4-E81 WeakPolarHBondContact CG2-OE1 3.49Å
5C52.2Low61.3Low71 Ų7172.7 Ų72.748%0.4842%0.423SS..Hα-helixtrans-75.3-38.3174.7-58.80000111.5A2 A3 S8 N9A2-C5 WeakPolarHBondContact O-CA 3.45Å; A2-C5 WeakPolarHBondContact O-CB 3.42Å; A2-C5 PolarHBondContact O-N 3.18Å; A3-C5 VanDerWaalsContact C-N 3.31Å; A3-C5 PolarHBondContact O-N 3.14Å; C5-S8 PolarHBondContact O-N 2.94Å; C5-N9 VanDerWaalsContact O-CB 3.29Å; C5-N9 WeakPolarHBondContact O-CB 3.24Å; C5-N9 PolarHBondContact O-N 3.16Å; C5-N9 PolarHBondContact O-ND2 2.87Å; C5-N9 PolarHBondContact O-OD1 3.11Å
6E60.2Low62.2Low116 Ų11672.1 Ų72.154%0.54243%0.425SS..Hα-helixtrans-62.5-48.3178.8-70.9157.6-171.700111.7A2 A3 N9 I10A2-E6 PolarHBondContact O-N 2.84Å; A3-E6 PolarHBondContact O-N 2.91Å; E6-N9 PolarHBondContact O-N 2.96Å; E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 3.49Å
7I62.4Low63Low26 Ų2672.9 Ų72.913%0.13344%0.442CS..Hα-helixtrans-60.9-47.3174.2-63.3166.7000110.5A3 N9 I10 F11 V80 A87A3-I7 WeakPolarHBondContact O-CG1 3.48Å; A3-I7 PolarHBondContact O-N 2.99Å; A3-I7 VanDerWaalsContact O-N 3.12Å; I7-N9 VanDerWaalsContact C-N 3.28Å; I7-N9 PolarHBondContact O-N 3.4Å; I7-I10 PolarHBondContact O-N 2.97Å; I7-F11 HydrophobicContact CG2-CD2 4.03Å; I7-F11 HydrophobicContact CG2-CE2 4.17Å; I7-F11 PolarHBondContact O-N 2.79Å; I7-F11 VanDerWaalsContact O-N 3.11Å; I7-V80 HydrophobicContact CD1-CG1 4.43Å; I7-V80 HydrophobicContact CG2-CG1 4.04Å; I7-A87 HydrophobicContact CG1-CB 4.14Å; I7-A87 HydrophobicContact CG2-CB 4.25Å
8S59.8Low63.2Low64 Ų6474.3 Ų74.345%0.44844%0.444SS..Hα-helixtrans-59.1-39.5178.7-61.80000112.2T4 C5 S12T4-S8 VanDerWaalsContact O-CB 3.31Å; T4-S8 WeakPolarHBondContact O-CB 3.46Å; T4-S8 PolarHBondContact O-N 3.5Å; T4-S8 PolarHBondContact O-OG 2.98Å; C5-S8 PolarHBondContact O-N 2.94Å; S8-S12 WeakPolarHBondContact O-CB 3.12Å; S8-S12 PolarHBondContact O-N 2.9Å; S8-S12 PolarHBondContact O-OG 3.15Å
9N72.1Confident63.5Low92 Ų9275.2 Ų75.249%0.49244%0.439SS..Hα-helixtrans-69-40.9178.1-70.8-11.6000111.8C5 E6 I7 S12 N13C5-N9 VanDerWaalsContact O-CB 3.29Å; C5-N9 WeakPolarHBondContact O-CB 3.24Å; C5-N9 PolarHBondContact O-N 3.16Å; C5-N9 PolarHBondContact O-ND2 2.87Å; C5-N9 PolarHBondContact O-OD1 3.11Å; E6-N9 PolarHBondContact O-N 2.96Å; I7-N9 VanDerWaalsContact C-N 3.28Å; I7-N9 PolarHBondContact O-N 3.4Å; N9-S12 PolarHBondContact O-N 3.13Å; N9-N13 WeakPolarHBondContact O-CB 3.48Å; N9-N13 PolarHBondContact O-N 3Å; N9-N13 PolarHBondContact O-ND2 3.43Å
10I74.9Confident63.2Low58 Ų5875.3 Ų75.330%0.29744%0.444SS..Hα-helixtrans-60.7-51.6177.4-69.1163.1000110.5E6 I7 N13 Y14 A87 F92E6-I10 WeakPolarHBondContact O-CG1 3.32Å; E6-I10 PolarHBondContact O-N 3.49Å; I7-I10 PolarHBondContact O-N 2.97Å; I10-N13 PolarHBondContact O-N 3.29Å; I10-Y14 PolarHBondContact O-N 2.58Å; I10-A87 HydrophobicContact CD1-CB 3.99Å; I10-A87 HydrophobicContact CG2-CB 4.4Å; I10-F92 HydrophobicContact CG2-CD2 4.37Å; I10-F92 HydrophobicContact CG2-CE2 3.47Å; I10-F92 VanDerWaalsContact CG2-CE2 3.47Å; I10-F92 HydrophobicContact CG2-CZ 3.57Å
11F73.1Confident62.1Low11 Ų1176.8 Ų76.85%0.04846%0.459CS..Hα-helixtrans-65.5-41178.1-83.2-94.1000112.3I7 Y14 V15 I76 V80 A87 F92I7-F11 HydrophobicContact CG2-CD2 4.03Å; I7-F11 HydrophobicContact CG2-CE2 4.17Å; I7-F11 PolarHBondContact O-N 2.79Å; I7-F11 VanDerWaalsContact O-N 3.11Å; F11-Y14 PolarHBondContact O-N 3.17Å; F11-V15 WeakPolarHBondContact O-CB 3.16Å; F11-V15 WeakPolarHBondContact O-CG2 3.49Å; F11-V15 PolarHBondContact O-N 3.1Å; F11-I76 HydrophobicContact CE1-CG2 4.21Å; F11-I76 HydrophobicContact CZ-CG2 4.08Å; F11-V80 HydrophobicContact CE2-CB 4.47Å; F11-V80 HydrophobicContact CE2-CG1 4.4Å; F11-V80 HydrophobicContact CE2-CG2 4.41Å; F11-V80 HydrophobicContact CZ-CG2 4.17Å; F11-A87 HydrophobicContact CE2-CB 4.17Å; F11-F92 HydrophobicContact CD1-CE1 4.15Å; F11-F92 HydrophobicContact CD2-CE1 4.39Å; F11-F92 HydrophobicContact CD2-CZ 4.35Å; F11-F92 AromaticContact CE1-CE1 3.77Å; F11-F92 HydrophobicContact CE1-CE1 3.77Å; F11-F92 HydrophobicContact CE2-CE1 4.02Å; F11-F92 AromaticContact CE2-CZ 3.94Å; F11-F92 HydrophobicContact CE2-CZ 3.94Å; F11-F92 HydrophobicContact CG-CE1 4.46Å; F11-F92 AromaticContact CZ-CE1 3.69Å; F11-F92 HydrophobicContact CZ-CE1 3.69Å; F11-F92 HydrophobicContact CZ-CZ 4.02Å
12S71.8Confident62.3Low65 Ų6576.4 Ų76.446%0.45545%0.454SS..Hα-helixtrans-64.3-41.6177.7-57.80000111.7S8 N9 V15 S16S8-S12 WeakPolarHBondContact O-CB 3.12Å; S8-S12 PolarHBondContact O-N 2.9Å; S8-S12 PolarHBondContact O-OG 3.15Å; N9-S12 PolarHBondContact O-N 3.13Å; S12-V15 PolarHBondContact O-N 3.22Å; S12-S16 VanDerWaalsContact O-CB 3.32Å; S12-S16 WeakPolarHBondContact O-CB 3.14Å; S12-S16 PolarHBondContact O-N 3.31Å; S12-S16 PolarHBondContact O-OG 3.36Å; S12-S16 VanDerWaalsContact O-OG 3.06Å
13N75.9Confident62.5Low113 Ų11379.7 Ų79.760%0.60446%0.463SS*.Hα-helixtrans-65.3-41.1176.6-72.8-18.5000111.8N9 I10 S16 A17N9-N13 WeakPolarHBondContact O-CB 3.48Å; N9-N13 PolarHBondContact O-N 3Å; N9-N13 PolarHBondContact O-ND2 3.43Å; I10-N13 PolarHBondContact O-N 3.29Å; N13-S16 PolarHBondContact O-N 3.3Å; N13-A17 VanDerWaalsContact O-CB 3.25Å; N13-A17 WeakPolarHBondContact O-CB 3.27Å; N13-A17 PolarHBondContact O-N 2.91Å
14Y76.8Confident62.3Low27 Ų2782.2 Ų82.211%0.10648%0.476CS..Hα-helixtrans-65-46.6175.9176.4-103.1000111.9I10 F11 S16 A17 M18 L73 F92I10-Y14 PolarHBondContact O-N 2.58Å; F11-Y14 PolarHBondContact O-N 3.17Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 2.78Å; Y14-A17 PolarHBondContact O-N 3.23Å; Y14-M18 HydrophobicContact CD2-CG 3.92Å; Y14-M18 HydrophobicContact CE1-CG 4.2Å; Y14-M18 HydrophobicContact CE2-CG 3.46Å; Y14-M18 VanDerWaalsContact CE2-CG 3.46Å; Y14-M18 HydrophobicContact CE2-SD 4.19Å; Y14-M18 HydrophobicContact CG-CG 4.48Å; Y14-M18 WeakPolarHBondContact O-CB 3.4Å; Y14-M18 WeakPolarHBondContact O-CG 3.37Å; Y14-M18 PolarHBondContact O-N 3.05Å; Y14-L73 HydrophobicContact CD1-CD1 4.31Å; Y14-L73 HydrophobicContact CD1-CD2 4.23Å; Y14-L73 HydrophobicContact CE1-CD1 3.81Å; Y14-L73 HydrophobicContact CE1-CD2 3.77Å; Y14-L73 HydrophobicContact CE1-CG 4.48Å; Y14-F92 HydrophobicContact CD1-CD1 4.27Å; Y14-F92 HydrophobicContact CD2-CB 3.7Å; Y14-F92 HydrophobicContact CD2-CG 4.37Å; Y14-F92 HydrophobicContact CE2-CB 3.75Å; Y14-F92 VanDerWaalsContact CE2-O 3.24Å; Y14-F92 WeakPolarHBondContact CE2-O 3.43Å; Y14-F92 HydrophobicContact CG-CB 4.2Å; Y14-F92 HydrophobicContact CG-CD1 4.2Å; Y14-F92 HydrophobicContact CG-CG 4.42Å; Y14-F92 PolarHBondContact OH-O 2.87Å
15V71.9Confident61.7Low54 Ų5485.7 Ų85.733%0.32750%0.498SS..Hα-helixtrans-62.1-41.5176.7171.40000110.8F11 S12 Y19 L73F11-V15 WeakPolarHBondContact O-CB 3.16Å; F11-V15 WeakPolarHBondContact O-CG2 3.49Å; F11-V15 PolarHBondContact O-N 3.1Å; S12-V15 PolarHBondContact O-N 3.22Å; V15-Y19 HydrophobicContact CG1-CD2 4.4Å; V15-Y19 WeakPolarHBondContact O-CB 3.48Å; V15-Y19 PolarHBondContact O-N 3.3Å; V15-L73 HydrophobicContact CG2-CD1 4.38Å
16S74.9Confident60.9Low64 Ų6491 Ų9145%0.44852%0.521SS..Hα-helixtrans-63.2-45.9173.2-68.50000112.6S12 N13 Y14 M18 S20S12-S16 VanDerWaalsContact O-CB 3.32Å; S12-S16 WeakPolarHBondContact O-CB 3.14Å; S12-S16 PolarHBondContact O-N 3.31Å; S12-S16 PolarHBondContact O-OG 3.36Å; S12-S16 VanDerWaalsContact O-OG 3.06Å; N13-S16 PolarHBondContact O-N 3.3Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 2.78Å; S16-M18 PolarHBondContact O-N 3.41Å; S16-S20 WeakPolarHBondContact O-CA 3.33Å; S16-S20 WeakPolarHBondContact O-CB 3.36Å; S16-S20 PolarHBondContact O-N 3.25Å; S16-S20 PolarHBondContact O-OG 2.99Å
17A75.4Confident59.5Low86 Ų8689.5 Ų89.571%0.71153%0.528SS*.Hα-helixtrans-66.7-34.5-178.300000113.7N13 Y14N13-A17 VanDerWaalsContact O-CB 3.25Å; N13-A17 WeakPolarHBondContact O-CB 3.27Å; N13-A17 PolarHBondContact O-N 2.91Å; Y14-A17 PolarHBondContact O-N 3.23Å
18M67.2Low58.7Low97 Ų9794.5 Ų94.548%0.47856%0.562SS.*Hα-helixtrans-89.8-27.6-178.7-67.8-63.9-65.400114.1Y14 S16Y14-M18 HydrophobicContact CD2-CG 3.92Å; Y14-M18 HydrophobicContact CE1-CG 4.2Å; Y14-M18 HydrophobicContact CE2-CG 3.46Å; Y14-M18 VanDerWaalsContact CE2-CG 3.46Å; Y14-M18 HydrophobicContact CE2-SD 4.19Å; Y14-M18 HydrophobicContact CG-CG 4.48Å; Y14-M18 WeakPolarHBondContact O-CB 3.4Å; Y14-M18 WeakPolarHBondContact O-CG 3.37Å; Y14-M18 PolarHBondContact O-N 3.05Å; S16-M18 PolarHBondContact O-N 3.41Å
19Y67.9Low57.3Low91 Ų9197.9 Ų97.936%0.35758%0.58SS.*Hα-helixtrans-124.18.3-171-59.1-86.5000114.4V15 K69 L73 D96V15-Y19 HydrophobicContact CG1-CD2 4.4Å; V15-Y19 WeakPolarHBondContact O-CB 3.48Å; V15-Y19 PolarHBondContact O-N 3.3Å; Y19-K69 WeakPolarHBondContact OH-CB 3.37Å; Y19-L73 HydrophobicContact CE2-CD1 3.99Å; Y19-D96 PolarHBondContact OH-OD1 2.97Å; Y19-D96 VanDerWaalsContact OH-OD1 3.13Å
20S58.4Low55.8Low77 Ų7799.1 Ų99.154%0.53859%0.593SS.*SBendtrans-118.364.7174.1-50.60000112.9S16S16-S20 WeakPolarHBondContact O-CA 3.33Å; S16-S20 WeakPolarHBondContact O-CB 3.36Å; S16-S20 PolarHBondContact O-N 3.25Å; S16-S20 PolarHBondContact O-OG 2.99Å
21S41.1Very low54.8Low107 Ų107102.6 Ų102.675%0.74862%0.619SS**  trans-174.378.7150.8-98.60000114.2
22E42.7Very low52.7Low207 Ų207106.9 Ų106.997%0.96766%0.656SS**SBendtrans-119.4113136.1-63-175.1128.900103.5
23D42.6Very low50.8Low137 Ų137108.4 Ų108.473%0.73367%0.673SS**  cis-140.2140.733.3162.231.7000111.1
24S40Very low48.9Very low110 Ų110107 Ų10777%0.76968%0.677SS**  trans-16862.6166.2-83.50000113.1
25T34.8Very low46.7Very low127 Ų127116 Ų11678%0.77972%0.717SS**  trans-137.894.216650.50000113.9
26L34.5Very low44.7Very low183 Ų183116.9 Ų116.996%0.95874%0.737SS**  trans-162.4140.5142.2-107.2171.7000110.7
27A32.3Very low42.9Very low84 Ų84118 Ų11869%0.69475%0.75SS**  trans-102.1156.5-175.700000112.3
28P43.8Very low41Very low130 Ų130121.6 Ų121.684%0.84476%0.758SS**  trans-86.3146.4-166.433.4-36.3000115
29V31.1Very low39.4Very low135 Ų135123 Ų12382%0.81877%0.767SS**  trans-138.4144.1175.7175.60000108.3
30P40.8Very low38Very low118 Ų118126.5 Ų126.577%0.76679%0.791SS**  trans-87.1169-15634-37.3000116.4
31P53.6Low36.9Very low131 Ų131128 Ų12885%0.85180%0.797SS**  trans-91.4154.6-165.235.7-37000115.8
32A28.7Very low36.6Very low101 Ų101130.5 Ų130.584%0.83580%0.801SS**  trans-145.4115170.300000113.9
33A32Very low36Very low98 Ų98126.3 Ų126.381%0.8179%0.79SS**  trans22.8107.7153.800000123.2
34A36.1Very low35.4Very low82 Ų82127.8 Ų127.868%0.67880%0.797SS**  72.2160.1115.400000122.9
35F30.9Very low34.9Very low216 Ų216127.5 Ų127.595%0.94780%0.795SS**  trans68.1136.4-176.1-49.8-80.1000114.8
36G30.8Very low34.7Very low73 Ų73127.6 Ų127.675%0.75379%0.791SS**  cis-161.6-177.1-4.100000110.9
37A37.3Very low34.6Very low87 Ų87123.2 Ų123.272%0.71977%0.773SS**  trans-67161.7175.800000111.2
38D33.7Very low34.3Very low163 Ų163127.8 Ų127.887%0.87278%0.78SS**  cis-152.5-177.344.6-97.5-58.1000115.2
39D34.1Very low33.7Very low126 Ų126129.1 Ų129.167%0.67478%0.777SS**  trans-65.8129.6-170.6178.829.1000116.8V41D39-V41 PolarHBondContact OD1-N 2.93Å
40L38.3Very low33.5Very low165 Ų165127 Ų12786%0.86477%0.768SS**  trans-147.3108.2144.8-85.1-172.3000110.9L42L40-L42 PolarHBondContact O-N 3.48Å
41V36.5Very low33.2Very low109 Ų109129.8 Ų129.866%0.66178%0.776SS**  trans-69.2107.5175.2-178.70000112.1D39 T43D39-V41 PolarHBondContact OD1-N 2.93Å; V41-T43 HydrophobicContact CG1-CG2 4.1Å
42L33.5Very low32Very low158 Ų158131.4 Ų131.483%0.82777%0.772SS**  trans-124.995.2159-75.1177.8000109.9L40 L44L40-L42 PolarHBondContact O-N 3.48Å; L42-L44 PolarHBondContact O-N 3.43Å
43T30.8Very low31.9Very low119 Ų119129.8 Ų129.873%0.7377%0.765SS**  trans-73.777.2174.450.90000111V41 S45V41-T43 HydrophobicContact CG1-CG2 4.1Å; T43-S45 PolarHBondContact O-N 2.92Å
44L30.5Very low31.8Very low168 Ų168131.3 Ų131.388%0.8876%0.764SS**  trans-69.282157.8-88.9166000108.4L42 N46L42-L44 PolarHBondContact O-N 3.43Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-N46 PolarHBondContact O-N 2.89Å
45S28Very low31.7Very low105 Ų105136 Ų13673%0.73477%0.772SS**  trans-65.490.8170-65.80000109.1T43T43-S45 PolarHBondContact O-N 2.92Å
46N31.2Very low32.4Very low129 Ų129133.1 Ų133.169%0.6976%0.759SS**  trans-42.5123.1161.5-179.838.3000108.6L44 Q48L44-N46 VanDerWaalsContact C-N 3.27Å; L44-N46 PolarHBondContact O-N 2.89Å; N46-Q48 VanDerWaalsContact C-N 3.33Å; N46-Q48 PolarHBondContact O-N 3.39Å
47P32.4Very low33.3Very low91 Ų91134.4 Ų134.459%0.59175%0.753SS**  trans-65.499.2175.926.8-32.7000108.1M49P47-M49 PolarHBondContact O-N 3.47Å
48Q27.3Very low34.6Very low179 Ų179133.5 Ų133.584%0.83674%0.741SS**  trans-53.4107.1168.2178.9-176.9-67.700107.1N46 S50N46-Q48 VanDerWaalsContact C-N 3.33Å; N46-Q48 PolarHBondContact O-N 3.39Å; Q48-S50 PolarHBondContact O-N 2.98Å
49M29.6Very low36.5Very low158 Ų158127.5 Ų127.578%0.77871%0.706SS**  trans-53.4110.3-172-56-58.3167.400108.9P47 L51P47-M49 PolarHBondContact O-N 3.47Å; M49-L51 PolarHBondContact O-N 2.89Å
50S26.6Very low38Very low91 Ų91125.8 Ų125.864%0.63670%0.704SS**  trans-66.2132.7-174.1-168.90000108.9Q48 E52Q48-S50 PolarHBondContact O-N 2.98Å; S50-E52 PolarHBondContact O-N 3.33Å
51L36.2Very low39Very low177 Ų177121.3 Ų121.393%0.92770%0.698SS**  trans-76.164.4176.8-172.170.9000109.6M49M49-L51 PolarHBondContact O-N 2.89Å
52E26.5Very low40.5Very low165 Ų165121.1 Ų121.177%0.77169%0.69SS**  trans-80.6144.8173.8-71.2-170.9104.900110.7S50S50-E52 PolarHBondContact O-N 3.33Å
53G28.4Very low42.4Very low66 Ų66116 Ų11668%0.6866%0.662SS**  trans-67.9151.6-165.300000113.4E55G53-E55 VanDerWaalsContact C-N 3.34Å; G53-E55 PolarHBondContact O-N 2.66Å
54T29.9Very low44.8Very low131 Ų131110.6 Ų110.680%0.80463%0.628SS**  trans-63.385.9179.4-43.90000112.4K56T54-K56 VanDerWaalsContact C-N 3.31Å; T54-K56 HydrophobicContact CG2-CG 4.15Å; T54-K56 PolarHBondContact O-N 2.95Å
55E34.2Very low47.1Very low180 Ų180105.4 Ų105.484%0.84160%0.6SS**  trans-67.391.9163-65.4-149.4144.700108.7G53 T57G53-E55 VanDerWaalsContact C-N 3.34Å; G53-E55 PolarHBondContact O-N 2.66Å; E55-T57 PolarHBondContact O-N 3.31Å
56K44.9Very low49.5Very low156 Ų156105.9 Ų105.968%0.67859%0.589SS**  trans-62.7101.2175-78-163.9166.8-153.40110.3T54 S58T54-K56 VanDerWaalsContact C-N 3.31Å; T54-K56 HydrophobicContact CG2-CG 4.15Å; T54-K56 PolarHBondContact O-N 2.95Å; K56-S58 VanDerWaalsContact C-N 3.32Å; K56-S58 PolarHBondContact O-N 2.86Å; K56-S58 PolarHBondContact O-OG 2.83Å
57T49Very low52Low100 Ų100100 Ų10061%0.61356%0.557SS**  trans-62.788.4173.741.10000110.4E55 W59 Q71E55-T57 PolarHBondContact O-N 3.31Å; T57-W59 PolarHBondContact O-N 3.3Å; T57-Q71 WeakPolarHBondContact O-CG 3.4Å
58S64.7Low54.4Low68 Ų6898 Ų9848%0.47655%0.545SS..  trans-66.1122.9-177.1-56.50000110.9K56 S60 G61K56-S58 VanDerWaalsContact C-N 3.32Å; K56-S58 PolarHBondContact O-N 2.86Å; K56-S58 PolarHBondContact O-OG 2.83Å; S58-S60 PolarHBondContact O-N 3.22Å; S58-G61 PolarHBondContact O-N 3.13Å
59W73.3Confident57.1Low37 Ų3793 Ų9314%0.1452%0.52CS..G310 helixtrans-50.7-24.3176.151.5-97.5000114.1T57 G61 E62 W67 Q71 D74 W75 Y78T57-W59 PolarHBondContact O-N 3.3Å; W59-G61 PolarHBondContact O-N 3.44Å; W59-G61 VanDerWaalsContact O-N 3.16Å; W59-E62 PolarHBondContact O-N 3.36Å; W59-W67 HydrophobicContact CB-CD2 4.3Å; W59-W67 HydrophobicContact CB-CZ2 4.27Å; W59-W67 HydrophobicContact CE3-CH2 4.49Å; W59-W67 HydrophobicContact CE3-CZ2 4.1Å; W59-W67 PolarHBondContact O-NE1 3.42Å; W59-Q71 HydrophobicContact CB-CB 4.13Å; W59-D74 PolarHBondContact NE1-OD2 2.84Å; W59-D74 VanDerWaalsContact NE1-OD2 3.13Å; W59-W75 HydrophobicContact CB-CB 4.31Å; W59-W75 HydrophobicContact CD2-CB 3.95Å; W59-W75 AromaticContact CD2-CD1 3.65Å; W59-W75 HydrophobicContact CD2-CG 4.21Å; W59-W75 AromaticContact CE2-CD1 3.93Å; W59-W75 AromaticContact CE3-CD1 3.49Å; W59-W75 VanDerWaalsContact CE3-CD1 3.49Å; W59-W75 HydrophobicContact CE3-CG 4.38Å; W59-W75 HydrophobicContact CG-CB 3.78Å; W59-W75 HydrophobicContact CG-CG 4.49Å; W59-W75 AromaticContact CH2-CD1 3.95Å; W59-W75 AromaticContact CZ3-CD1 3.65Å; W59-Y78 AromaticContact CH2-CD1 3.77Å; W59-Y78 HydrophobicContact CH2-CD1 3.77Å; W59-Y78 AromaticContact CH2-CE1 3.86Å; W59-Y78 HydrophobicContact CH2-CE1 3.86Å; W59-Y78 HydrophobicContact CH2-CG 4.39Å; W59-Y78 AromaticContact CZ2-CD1 3.45Å; W59-Y78 HydrophobicContact CZ2-CD1 3.45Å; W59-Y78 VanDerWaalsContact CZ2-CD1 3.45Å; W59-Y78 HydrophobicContact CZ2-CD2 4.26Å; W59-Y78 AromaticContact CZ2-CE1 3.94Å; W59-Y78 HydrophobicContact CZ2-CE1 3.94Å; W59-Y78 AromaticContact CZ2-CG 3.63Å; W59-Y78 HydrophobicContact CZ2-CG 3.63Å
60S65.7Low59.7Low90 Ų9088.6 Ų88.663%0.62950%0.502SS*.G310 helixtrans-70.7-3.4-178.155.30000115.3S58S58-S60 PolarHBondContact O-N 3.22Å
61G60.2Low62.4Low71 Ų7184.9 Ų84.973%0.73248%0.475SS*.G310 helixtrans-92.6-16.3173.300000115.3S58 W59S58-G61 PolarHBondContact O-N 3.13Å; W59-G61 PolarHBondContact O-N 3.44Å; W59-G61 VanDerWaalsContact O-N 3.16Å
62E67Low64.7Low105 Ų10576.5 Ų76.549%0.49143%0.431SS..SBendtrans-129154-166.7-69.8171.916900111.7W59 W67 Q71W59-E62 PolarHBondContact O-N 3.36Å; E62-W67 PolarHBondContact O-NE1 2.98Å; E62-Q71 PolarHBondContact OE2-NE2 3.14Å
63Q74.2Confident67.4Low50 Ų5068.8 Ų68.823%0.23440%0.395CS..  trans-73.3140.7-177.9-161.9167.810.700110.5Q65 F66 S132Q63-Q65 HydrophobicContact CB-CG 4.45Å; Q63-Q65 HydrophobicContact CG-CG 4.38Å; Q63-Q65 PolarHBondContact O-N 2.91Å; Q63-Q65 VanDerWaalsContact OE1-NE2 3.1Å; Q63-F66 HydrophobicContact CB-CD2 4Å; Q63-F66 HydrophobicContact CB-CE2 4.4Å; Q63-F66 PolarHBondContact O-N 2.86Å; Q63-S132 PolarHBondContact NE2-OG 3.2Å
64P80Confident70.1Confident5 Ų568.7 Ų68.73%0.03238%0.379CS..G310 helixtrans-51.1-36-170.8-3236.7000115.8F66 W67 G99 C103 L125 L128P64-F66 PolarHBondContact O-N 3.44Å; P64-F66 VanDerWaalsContact O-N 3.13Å; P64-W67 HydrophobicContact CB-CD2 4.36Å; P64-W67 HydrophobicContact CB-CE3 4.3Å; P64-W67 HydrophobicContact CB-CH2 4.1Å; P64-W67 HydrophobicContact CB-CZ2 4.14Å; P64-W67 HydrophobicContact CB-CZ3 4.17Å; P64-W67 HydrophobicContact CG-CH2 3.96Å; P64-W67 HydrophobicContact CG-CZ2 3.82Å; P64-W67 PolarHBondContact O-N 2.92Å; P64-G99 CarbonylContact O-C 3.49Å; P64-G99 VanDerWaalsContact O-C 3.31Å; P64-G99 WeakPolarHBondContact O-CA 3.32Å; P64-C103 VanDerWaalsContact CB-SG 3.5Å; P64-L125 HydrophobicContact CB-CD2 4.2Å; P64-L128 HydrophobicContact CG-CB 3.76Å; P64-L128 HydrophobicContact CG-CD1 4.29Å
65Q79.9Confident72.8Confident59 Ų5962.5 Ų62.528%0.27634%0.341SS..G310 helixtrans-61.5-16.617771.7-141.631.400115.5Q63 A100Q63-Q65 HydrophobicContact CB-CG 4.45Å; Q63-Q65 HydrophobicContact CG-CG 4.38Å; Q63-Q65 PolarHBondContact O-N 2.91Å; Q63-Q65 VanDerWaalsContact OE1-NE2 3.1Å; Q65-A100 PolarHBondContact O-N 3.17Å
66F77.3Confident75.2Confident116 Ų11654 Ų5451%0.50930%0.301SS..G310 helixtrans-108.4-4-177.2-59.8-52.8000113.7Q63 P64 S68Q63-F66 HydrophobicContact CB-CD2 4Å; Q63-F66 HydrophobicContact CB-CE2 4.4Å; Q63-F66 PolarHBondContact O-N 2.86Å; P64-F66 PolarHBondContact O-N 3.44Å; P64-F66 VanDerWaalsContact O-N 3.13Å; F66-S68 PolarHBondContact O-N 3.16Å
67W84.6Confident77Confident6 Ų647.9 Ų47.92%0.02328%0.278CS..  trans-61.5130.9-179.4-65.1-17.1000111.6W59 E62 P64 Q71 V72 W75 G99 L102 L125 L128W59-W67 HydrophobicContact CB-CD2 4.3Å; W59-W67 HydrophobicContact CB-CZ2 4.27Å; W59-W67 HydrophobicContact CE3-CH2 4.49Å; W59-W67 HydrophobicContact CE3-CZ2 4.1Å; W59-W67 PolarHBondContact O-NE1 3.42Å; E62-W67 PolarHBondContact O-NE1 2.98Å; P64-W67 HydrophobicContact CB-CD2 4.36Å; P64-W67 HydrophobicContact CB-CE3 4.3Å; P64-W67 HydrophobicContact CB-CH2 4.1Å; P64-W67 HydrophobicContact CB-CZ2 4.14Å; P64-W67 HydrophobicContact CB-CZ3 4.17Å; P64-W67 HydrophobicContact CG-CH2 3.96Å; P64-W67 HydrophobicContact CG-CZ2 3.82Å; P64-W67 PolarHBondContact O-N 2.92Å; W67-Q71 HydrophobicContact CB-CB 3.96Å; W67-Q71 HydrophobicContact CG-CB 4.3Å; W67-V72 HydrophobicContact CB-CG2 3.88Å; W67-V72 HydrophobicContact CE3-CG2 4.2Å; W67-W75 HydrophobicContact CE3-CB 4.49Å; W67-W75 HydrophobicContact CE3-CG 4.48Å; W67-W75 HydrophobicContact CH2-CB 4.32Å; W67-W75 AromaticContact CH2-CD1 3.55Å; W67-W75 AromaticContact CH2-CD2 3.83Å; W67-W75 HydrophobicContact CH2-CD2 3.83Å; W67-W75 AromaticContact CH2-CE2 3.87Å; W67-W75 AromaticContact CH2-CG 3.64Å; W67-W75 HydrophobicContact CH2-CG 3.64Å; W67-W75 AromaticContact CH2-NE1 3.63Å; W67-W75 HydrophobicContact CZ3-CB 4.04Å; W67-W75 AromaticContact CZ3-CD1 3.99Å; W67-W75 AromaticContact CZ3-CD2 3.55Å; W67-W75 HydrophobicContact CZ3-CD2 3.55Å; W67-W75 AromaticContact CZ3-CE2 3.99Å; W67-W75 AromaticContact CZ3-CE3 3.9Å; W67-W75 HydrophobicContact CZ3-CE3 3.9Å; W67-W75 AromaticContact CZ3-CG 3.59Å; W67-W75 HydrophobicContact CZ3-CG 3.59Å; W67-G99 WeakPolarHBondContact O-CA 3.16Å; W67-G99 PolarHBondContact O-N 3.17Å; W67-L102 HydrophobicContact CE3-CD2 4.1Å; W67-L102 HydrophobicContact CZ3-CD2 4.06Å; W67-L125 HydrophobicContact CZ3-CD2 4.12Å; W67-L128 HydrophobicContact CH2-CD1 3.89Å; W67-L128 HydrophobicContact CZ2-CD1 4.35Å
68S83.8Confident78.7Confident47 Ų4748.3 Ų48.333%0.32927%0.269SS..  trans-63.5159.7164.862.30000111.5F66 T70 Q71 V72F66-S68 PolarHBondContact O-N 3.16Å; S68-T70 PolarHBondContact O-N 3.33Å; S68-T70 VanDerWaalsContact O-N 3.15Å; S68-T70 PolarHBondContact OG-OG1 2.62Å; S68-Q71 WeakPolarHBondContact O-CB 3.35Å; S68-Q71 PolarHBondContact O-N 3.04Å; S68-Q71 WeakPolarHBondContact OG-CG 3.47Å; S68-Q71 PolarHBondContact OG-N 2.8Å; S68-Q71 PolarHBondContact OG-OE1 2.94Å; S68-V72 PolarHBondContact O-N 3.04Å
69K83.2Confident79.6Confident75 Ų7545.2 Ų45.233%0.32625%0.248SC..Hα-helixtrans-52-36.7176.2-65.9176.8154.3-162.30113.2Y19 L73 D96 D98Y19-K69 WeakPolarHBondContact OH-CB 3.37Å; K69-L73 VanDerWaalsContact O-CG 3.27Å; K69-L73 WeakPolarHBondContact O-CG 3.33Å; K69-L73 PolarHBondContact O-N 3.13Å; K69-D96 WeakPolarHBondContact CD-OD1 3.3Å; K69-D96 VanDerWaalsContact CE-OD1 3.29Å; K69-D96 WeakPolarHBondContact CE-OD1 3.45Å; K69-D96 IonicContact NZ-OD1 2.66Å; K69-D96 PolarHBondContact NZ-OD1 3.4Å; K69-D96 IonicContact NZ-OD2 2.75Å; K69-D96 PolarHBondContact NZ-OD2 2.84Å; K69-D98 HydrophobicContact CG-CB 4.12Å
70T83.1Confident80.1Confident65 Ų6543.5 Ų43.540%0.39924%0.241SC..Hα-helixtrans-73.5-36.4177.550.30000112.8S68 L73 D74S68-T70 PolarHBondContact O-N 3.33Å; S68-T70 VanDerWaalsContact O-N 3.15Å; S68-T70 PolarHBondContact OG-OG1 2.62Å; T70-L73 PolarHBondContact O-N 3.41Å; T70-D74 PolarHBondContact O-N 2.7Å
71Q83.4Confident80.8Confident14 Ų1443.3 Ų43.37%0.06523%0.23CC..Hα-helixtrans-66.5-39171.6-76.1164.6-5500112.2T57 W59 E62 W67 S68 D74 W75T57-Q71 WeakPolarHBondContact O-CG 3.4Å; W59-Q71 HydrophobicContact CB-CB 4.13Å; E62-Q71 PolarHBondContact OE2-NE2 3.14Å; W67-Q71 HydrophobicContact CB-CB 3.96Å; W67-Q71 HydrophobicContact CG-CB 4.3Å; S68-Q71 WeakPolarHBondContact O-CB 3.35Å; S68-Q71 PolarHBondContact O-N 3.04Å; S68-Q71 WeakPolarHBondContact OG-CG 3.47Å; S68-Q71 PolarHBondContact OG-N 2.8Å; S68-Q71 PolarHBondContact OG-OE1 2.94Å; Q71-D74 PolarHBondContact O-N 2.96Å; Q71-W75 WeakPolarHBondContact O-CB 3.27Å; Q71-W75 PolarHBondContact O-N 3.21Å
72V84.9Confident81.7Confident0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-58.1-47.8171.81670000110.8W67 S68 W75 I76 M97 L102W67-V72 HydrophobicContact CB-CG2 3.88Å; W67-V72 HydrophobicContact CE3-CG2 4.2Å; S68-V72 PolarHBondContact O-N 3.04Å; V72-W75 PolarHBondContact O-N 3.37Å; V72-I76 HydrophobicContact CG1-CD1 3.66Å; V72-I76 HydrophobicContact CG1-CG1 4.42Å; V72-I76 VanDerWaalsContact O-CG1 3.29Å; V72-I76 WeakPolarHBondContact O-CG1 3.49Å; V72-I76 PolarHBondContact O-N 3.4Å; V72-M97 HydrophobicContact CG1-CG 4.13Å; V72-L102 HydrophobicContact CG1-CD2 3.94Å; V72-L102 HydrophobicContact CG2-CD2 4.04Å
73L84.4Confident82.3Confident3 Ų342.1 Ų42.12%0.01621%0.206CC..Hα-helixtrans-65.5-38.3179.1-70.4166000112.9Y14 V15 Y19 K69 T70 I76 S77 C95Y14-L73 HydrophobicContact CD1-CD1 4.31Å; Y14-L73 HydrophobicContact CD1-CD2 4.23Å; Y14-L73 HydrophobicContact CE1-CD1 3.81Å; Y14-L73 HydrophobicContact CE1-CD2 3.77Å; Y14-L73 HydrophobicContact CE1-CG 4.48Å; V15-L73 HydrophobicContact CG2-CD1 4.38Å; Y19-L73 HydrophobicContact CE2-CD1 3.99Å; K69-L73 VanDerWaalsContact O-CG 3.27Å; K69-L73 WeakPolarHBondContact O-CG 3.33Å; K69-L73 PolarHBondContact O-N 3.13Å; T70-L73 PolarHBondContact O-N 3.41Å; L73-I76 PolarHBondContact O-N 3.1Å; L73-S77 VanDerWaalsContact O-CB 3.25Å; L73-S77 WeakPolarHBondContact O-CB 3.48Å; L73-S77 PolarHBondContact O-N 3.38Å; L73-C95 HydrophobicContact CD2-CB 3.83Å
74D84.6Confident82.6Confident65 Ų6546.4 Ų46.435%0.34822%0.224SC..Hα-helixtrans-68.4-36.1174.6-169.186.3000111.8W59 T70 Q71 Y78W59-D74 PolarHBondContact NE1-OD2 2.84Å; W59-D74 VanDerWaalsContact NE1-OD2 3.13Å; T70-D74 PolarHBondContact O-N 2.7Å; Q71-D74 PolarHBondContact O-N 2.96Å; D74-Y78 WeakPolarHBondContact O-CB 3.15Å; D74-Y78 PolarHBondContact O-N 3.49Å
75W86.1Confident82.6Confident0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-66.1-45.7171.8177.479000112.5W59 W67 Q71 V72 S77 Y78 Q79 L102 L121 Q124 L125W59-W75 HydrophobicContact CB-CB 4.31Å; W59-W75 HydrophobicContact CD2-CB 3.95Å; W59-W75 AromaticContact CD2-CD1 3.65Å; W59-W75 HydrophobicContact CD2-CG 4.21Å; W59-W75 AromaticContact CE2-CD1 3.93Å; W59-W75 AromaticContact CE3-CD1 3.49Å; W59-W75 VanDerWaalsContact CE3-CD1 3.49Å; W59-W75 HydrophobicContact CE3-CG 4.38Å; W59-W75 HydrophobicContact CG-CB 3.78Å; W59-W75 HydrophobicContact CG-CG 4.49Å; W59-W75 AromaticContact CH2-CD1 3.95Å; W59-W75 AromaticContact CZ3-CD1 3.65Å; W67-W75 HydrophobicContact CE3-CB 4.49Å; W67-W75 HydrophobicContact CE3-CG 4.48Å; W67-W75 HydrophobicContact CH2-CB 4.32Å; W67-W75 AromaticContact CH2-CD1 3.55Å; W67-W75 AromaticContact CH2-CD2 3.83Å; W67-W75 HydrophobicContact CH2-CD2 3.83Å; W67-W75 AromaticContact CH2-CE2 3.87Å; W67-W75 AromaticContact CH2-CG 3.64Å; W67-W75 HydrophobicContact CH2-CG 3.64Å; W67-W75 AromaticContact CH2-NE1 3.63Å; W67-W75 HydrophobicContact CZ3-CB 4.04Å; W67-W75 AromaticContact CZ3-CD1 3.99Å; W67-W75 AromaticContact CZ3-CD2 3.55Å; W67-W75 HydrophobicContact CZ3-CD2 3.55Å; W67-W75 AromaticContact CZ3-CE2 3.99Å; W67-W75 AromaticContact CZ3-CE3 3.9Å; W67-W75 HydrophobicContact CZ3-CE3 3.9Å; W67-W75 AromaticContact CZ3-CG 3.59Å; W67-W75 HydrophobicContact CZ3-CG 3.59Å; Q71-W75 WeakPolarHBondContact O-CB 3.27Å; Q71-W75 PolarHBondContact O-N 3.21Å; V72-W75 PolarHBondContact O-N 3.37Å; W75-S77 VanDerWaalsContact C-N 3.35Å; W75-S77 PolarHBondContact O-N 2.64Å; W75-Y78 WeakPolarHBondContact O-CB 3.43Å; W75-Y78 PolarHBondContact O-N 3.34Å; W75-Q79 HydrophobicContact CD2-CG 4.22Å; W75-Q79 HydrophobicContact CH2-CG 4.48Å; W75-Q79 HydrophobicContact CZ2-CG 3.98Å; W75-Q79 WeakPolarHBondContact O-CG 3.16Å; W75-Q79 PolarHBondContact O-N 3.09Å; W75-L102 HydrophobicContact CE3-CD2 4.06Å; W75-L102 HydrophobicContact CZ3-CD2 3.98Å; W75-L121 HydrophobicContact CH2-CB 3.9Å; W75-L121 HydrophobicContact CH2-CD2 3.56Å; W75-L121 HydrophobicContact CH2-CG 4.29Å; W75-L121 HydrophobicContact CZ2-CD2 4.3Å; W75-L121 HydrophobicContact CZ3-CB 4.31Å; W75-L121 HydrophobicContact CZ3-CD2 3.72Å; W75-L121 HydrophobicContact CZ3-CG 4.46Å; W75-Q124 HydrophobicContact CZ2-CB 4.15Å; W75-L125 HydrophobicContact CH2-CD1 3.84Å; W75-L125 HydrophobicContact CH2-CD2 3.93Å; W75-L125 HydrophobicContact CH2-CG 3.51Å; W75-L125 HydrophobicContact CZ2-CD2 4.25Å; W75-L125 HydrophobicContact CZ2-CG 4.03Å; W75-L125 HydrophobicContact CZ3-CD1 4.12Å; W75-L125 HydrophobicContact CZ3-CD2 4.2Å; W75-L125 HydrophobicContact CZ3-CG 4.11Å
76I85.4Confident82.5Confident1 Ų150.3 Ų50.31%0.00524%0.243CC..Hα-helixtrans-60.5-46.8175.2-66.8162.2000109.7F11 V72 L73 Y78 Q79 V80 F114F11-I76 HydrophobicContact CE1-CG2 4.21Å; F11-I76 HydrophobicContact CZ-CG2 4.08Å; V72-I76 HydrophobicContact CG1-CD1 3.66Å; V72-I76 HydrophobicContact CG1-CG1 4.42Å; V72-I76 VanDerWaalsContact O-CG1 3.29Å; V72-I76 WeakPolarHBondContact O-CG1 3.49Å; V72-I76 PolarHBondContact O-N 3.4Å; L73-I76 PolarHBondContact O-N 3.1Å; I76-Y78 VanDerWaalsContact C-N 3.33Å; I76-Y78 PolarHBondContact O-N 2.98Å; I76-Q79 PolarHBondContact O-N 3.27Å; I76-Q79 VanDerWaalsContact O-N 3.1Å; I76-V80 HydrophobicContact CG2-CG2 4.28Å; I76-V80 WeakPolarHBondContact O-CG2 3.41Å; I76-V80 PolarHBondContact O-N 2.85Å; I76-F114 HydrophobicContact CD1-CE1 4.09Å; I76-F114 HydrophobicContact CD1-CZ 3.72Å; I76-F114 HydrophobicContact CG1-CZ 4.4Å; I76-F114 HydrophobicContact CG2-CD1 4.38Å; I76-F114 HydrophobicContact CG2-CE1 3.8Å; I76-F114 HydrophobicContact CG2-CZ 4.47Å
77S82.6Confident82.5Confident29 Ų2944.8 Ų44.820%0.20322%0.219CC..Hα-helixtrans-55.6-46.6176.1-175.20000111.8L73 W75 Q79 V80 E81L73-S77 VanDerWaalsContact O-CB 3.25Å; L73-S77 WeakPolarHBondContact O-CB 3.48Å; L73-S77 PolarHBondContact O-N 3.38Å; W75-S77 VanDerWaalsContact C-N 3.35Å; W75-S77 PolarHBondContact O-N 2.64Å; S77-Q79 PolarHBondContact O-N 3.12Å; S77-V80 PolarHBondContact O-N 3.15Å; S77-E81 PolarHBondContact O-N 2.9Å
78Y84.3Confident82.1Confident108 Ų10848.8 Ų48.842%0.42425%0.248SC..Hα-helixtrans-59.6-43174.3170.7-98.6000112.7W59 D74 W75 I76 E81 K82W59-Y78 AromaticContact CH2-CD1 3.77Å; W59-Y78 HydrophobicContact CH2-CD1 3.77Å; W59-Y78 AromaticContact CH2-CE1 3.86Å; W59-Y78 HydrophobicContact CH2-CE1 3.86Å; W59-Y78 HydrophobicContact CH2-CG 4.39Å; W59-Y78 AromaticContact CZ2-CD1 3.45Å; W59-Y78 HydrophobicContact CZ2-CD1 3.45Å; W59-Y78 VanDerWaalsContact CZ2-CD1 3.45Å; W59-Y78 HydrophobicContact CZ2-CD2 4.26Å; W59-Y78 AromaticContact CZ2-CE1 3.94Å; W59-Y78 HydrophobicContact CZ2-CE1 3.94Å; W59-Y78 AromaticContact CZ2-CG 3.63Å; W59-Y78 HydrophobicContact CZ2-CG 3.63Å; D74-Y78 WeakPolarHBondContact O-CB 3.15Å; D74-Y78 PolarHBondContact O-N 3.49Å; W75-Y78 WeakPolarHBondContact O-CB 3.43Å; W75-Y78 PolarHBondContact O-N 3.34Å; I76-Y78 VanDerWaalsContact C-N 3.33Å; I76-Y78 PolarHBondContact O-N 2.98Å; Y78-E81 PolarHBondContact O-N 3.26Å; Y78-K82 HydrophobicContact CE1-CD 3.73Å; Y78-K82 WeakPolarHBondContact O-CB 3.41Å; Y78-K82 PolarHBondContact O-N 2.74Å
79Q83.2Confident81.6Confident4 Ų449.3 Ų49.32%0.01926%0.255CS..Hα-helixtrans-70.3-35.2178.2-62.4-75.111.500112.1W75 I76 S77 N83 L121W75-Q79 HydrophobicContact CD2-CG 4.22Å; W75-Q79 HydrophobicContact CH2-CG 4.48Å; W75-Q79 HydrophobicContact CZ2-CG 3.98Å; W75-Q79 WeakPolarHBondContact O-CG 3.16Å; W75-Q79 PolarHBondContact O-N 3.09Å; I76-Q79 PolarHBondContact O-N 3.27Å; I76-Q79 VanDerWaalsContact O-N 3.1Å; S77-Q79 PolarHBondContact O-N 3.12Å; Q79-N83 WeakPolarHBondContact O-CB 3.19Å; Q79-N83 PolarHBondContact O-N 3.41Å; Q79-N83 PolarHBondContact O-ND2 2.67Å; Q79-L121 HydrophobicContact CB-CD2 3.57Å; Q79-L121 HydrophobicContact CG-CD2 3.77Å
80V83.4Confident81.4Confident0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-61.6-49.8172.1169.50000110.3I7 F11 I76 S77 K84 Y85 A87 I90 L117I7-V80 HydrophobicContact CD1-CG1 4.43Å; I7-V80 HydrophobicContact CG2-CG1 4.04Å; F11-V80 HydrophobicContact CE2-CB 4.47Å; F11-V80 HydrophobicContact CE2-CG1 4.4Å; F11-V80 HydrophobicContact CE2-CG2 4.41Å; F11-V80 HydrophobicContact CZ-CG2 4.17Å; I76-V80 HydrophobicContact CG2-CG2 4.28Å; I76-V80 WeakPolarHBondContact O-CG2 3.41Å; I76-V80 PolarHBondContact O-N 2.85Å; S77-V80 PolarHBondContact O-N 3.15Å; V80-K84 WeakPolarHBondContact O-CA 3.24Å; V80-K84 PolarHBondContact O-N 3.39Å; V80-Y85 WeakPolarHBondContact CG1-O 3.34Å; V80-Y85 PolarHBondContact O-N 3.18Å; V80-A87 HydrophobicContact CG1-CB 4.16Å; V80-I90 HydrophobicContact CG2-CD1 3.61Å; V80-L117 HydrophobicContact CG2-CD2 3.56Å
81E82.1Confident81Confident86 Ų8646.1 Ų46.140%0.40224%0.239SC..Hα-helixtrans-65.2-44.2177.7-177.3174.8-153.800111.9T4 S77 Y78 N83 K84T4-E81 WeakPolarHBondContact CG2-OE1 3.49Å; S77-E81 PolarHBondContact O-N 2.9Å; Y78-E81 PolarHBondContact O-N 3.26Å; E81-N83 PolarHBondContact O-N 3.49Å; E81-K84 VanDerWaalsContact CG-NZ 3.25Å; E81-K84 VanDerWaalsContact O-CD 3.23Å; E81-K84 WeakPolarHBondContact O-CD 3.22Å; E81-K84 WeakPolarHBondContact O-CE 3.29Å; E81-K84 PolarHBondContact O-N 2.8Å; E81-K84 PolarHBondContact O-NZ 3.3Å; E81-K84 IonicContact OE1-NZ 3.41Å
82K78.1Confident80.6Confident86 Ų8646.8 Ų46.837%0.37424%0.242SC..Hα-helixtrans-60-45.9-179.1171179.6153.4-156.70112Y78 K84Y78-K82 HydrophobicContact CE1-CD 3.73Å; Y78-K82 WeakPolarHBondContact O-CB 3.41Å; Y78-K82 PolarHBondContact O-N 2.74Å; K82-K84 VanDerWaalsContact C-N 3.32Å
83N80.4Confident79.9Confident65 Ų6551.2 Ų51.235%0.34827%0.273SS..Hα-helixtrans-88-0.2-178.2-58.5-56.1000113.1Q79 E81 Y85 L117Q79-N83 WeakPolarHBondContact O-CB 3.19Å; Q79-N83 PolarHBondContact O-N 3.41Å; Q79-N83 PolarHBondContact O-ND2 2.67Å; E81-N83 PolarHBondContact O-N 3.49Å; N83-Y85 PolarHBondContact O-N 3Å; N83-L117 HydrophobicContact CB-CD1 4.22Å
84K79.9Confident79.2Confident141 Ų14157.6 Ų57.661%0.61330%0.297SS*.THydrogen-bonded Turntrans51.941.7-175.4-56.6-63168-145.20112.7V80 E81 K82V80-K84 WeakPolarHBondContact O-CA 3.24Å; V80-K84 PolarHBondContact O-N 3.39Å; E81-K84 VanDerWaalsContact CG-NZ 3.25Å; E81-K84 VanDerWaalsContact O-CD 3.23Å; E81-K84 WeakPolarHBondContact O-CD 3.22Å; E81-K84 WeakPolarHBondContact O-CE 3.29Å; E81-K84 PolarHBondContact O-N 2.8Å; E81-K84 PolarHBondContact O-NZ 3.3Å; E81-K84 IonicContact OE1-NZ 3.41Å; K82-K84 VanDerWaalsContact C-N 3.32Å
85Y79.8Confident78.6Confident48 Ų4854.5 Ų54.519%0.18828%0.28CS..  trans-76.9152.8176.3-165.7-105.2000111.1V80 N83 A87 A89 I90 F114 P116 L117V80-Y85 WeakPolarHBondContact CG1-O 3.34Å; V80-Y85 PolarHBondContact O-N 3.18Å; N83-Y85 PolarHBondContact O-N 3Å; Y85-A87 PolarHBondContact O-N 2.8Å; Y85-A89 HydrophobicContact CE1-CB 4.39Å; Y85-I90 HydrophobicContact CD1-CD1 4.26Å; Y85-I90 HydrophobicContact CD1-CG1 4.36Å; Y85-I90 HydrophobicContact CE1-CD1 4.4Å; Y85-I90 HydrophobicContact CE1-CG1 4.02Å; Y85-F114 PolarHBondContact OH-O 3.18Å; Y85-F114 VanDerWaalsContact OH-O 3.05Å; Y85-P116 HydrophobicContact CE2-CG 4.14Å; Y85-L117 HydrophobicContact CD1-CB 4Å; Y85-L117 HydrophobicContact CD1-CD2 3.65Å; Y85-L117 HydrophobicContact CD1-CG 4.37Å; Y85-L117 HydrophobicContact CD2-CB 3.89Å; Y85-L117 HydrophobicContact CE1-CB 3.99Å; Y85-L117 HydrophobicContact CE1-CD2 4.26Å; Y85-L117 HydrophobicContact CE2-CB 3.91Å; Y85-L117 HydrophobicContact CG-CB 3.94Å; Y85-L117 HydrophobicContact CG-CD1 4.37Å; Y85-L117 HydrophobicContact CG-CD2 3.85Å; Y85-L117 HydrophobicContact CG-CG 4.26Å
86D78.9Confident78.2Confident97 Ų9757.7 Ų57.752%0.51930%0.297SS..  trans-81.1111.2177-167.5-25000110.2S88 A89D86-S88 PolarHBondContact O-N 3.01Å; D86-S88 VanDerWaalsContact OD1-CB 3.3Å; D86-S88 WeakPolarHBondContact OD1-CB 3.35Å; D86-S88 PolarHBondContact OD1-N 3.32Å; D86-S88 PolarHBondContact OD1-OG 3.41Å; D86-S88 PolarHBondContact OD2-OG 2.77Å; D86-A89 PolarHBondContact O-N 3.33Å
87A76.1Confident78.1Confident1 Ų158.3 Ų58.31%0.00830%0.301CS..G310 helixtrans-63.2-23.9178.300000112.9I7 I10 F11 V80 Y85 A89 I90 F92I7-A87 HydrophobicContact CG1-CB 4.14Å; I7-A87 HydrophobicContact CG2-CB 4.25Å; I10-A87 HydrophobicContact CD1-CB 3.99Å; I10-A87 HydrophobicContact CG2-CB 4.4Å; F11-A87 HydrophobicContact CE2-CB 4.17Å; V80-A87 HydrophobicContact CG1-CB 4.16Å; Y85-A87 PolarHBondContact O-N 2.8Å; A87-A89 PolarHBondContact O-N 2.94Å; A87-I90 PolarHBondContact O-N 3.4Å; A87-F92 VanDerWaalsContact O-CE2 3.22Å; A87-F92 WeakPolarHBondContact O-CE2 3.36Å
88S75.6Confident78Confident89 Ų8959.9 Ų59.962%0.62231%0.307SS*.G310 helixtrans-71.6-13.5179.371.50000113.8D86D86-S88 PolarHBondContact O-N 3.01Å; D86-S88 VanDerWaalsContact OD1-CB 3.3Å; D86-S88 WeakPolarHBondContact OD1-CB 3.35Å; D86-S88 PolarHBondContact OD1-N 3.32Å; D86-S88 PolarHBondContact OD1-OG 3.41Å; D86-S88 PolarHBondContact OD2-OG 2.77Å
89A74.1Confident77.9Confident58 Ų5854.8 Ų54.848%0.47929%0.286SS..G310 helixtrans-92.21017800000114.2Y85 D86 A87Y85-A89 HydrophobicContact CE1-CB 4.39Å; D86-A89 PolarHBondContact O-N 3.33Å; A87-A89 PolarHBondContact O-N 2.94Å
90I78.3Confident77.7Confident11 Ų1156.4 Ų56.46%0.05630%0.301CS..SBendtrans-104.2129.8-177.2-59.9175.2000110.3V80 Y85 A87 F92 F114V80-I90 HydrophobicContact CG2-CD1 3.61Å; Y85-I90 HydrophobicContact CD1-CD1 4.26Å; Y85-I90 HydrophobicContact CD1-CG1 4.36Å; Y85-I90 HydrophobicContact CE1-CD1 4.4Å; Y85-I90 HydrophobicContact CE1-CG1 4.02Å; A87-I90 PolarHBondContact O-N 3.4Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-F92 HydrophobicContact CB-CD2 4.34Å; I90-F92 HydrophobicContact CB-CE2 3.95Å; I90-F92 HydrophobicContact CB-CZ 4.06Å; I90-F92 HydrophobicContact CD1-CZ 4.41Å; I90-F92 HydrophobicContact CG2-CD1 4.33Å; I90-F92 HydrophobicContact CG2-CD2 4.42Å; I90-F92 HydrophobicContact CG2-CE1 4.24Å; I90-F92 HydrophobicContact CG2-CE2 4.33Å; I90-F92 HydrophobicContact CG2-CG 4.41Å; I90-F92 HydrophobicContact CG2-CZ 4.23Å; I90-F92 VanDerWaalsContact O-CD2 3.27Å; I90-F92 WeakPolarHBondContact O-CD2 3.3Å; I90-F92 PolarHBondContact O-N 3.04Å; I90-F114 HydrophobicContact CD1-CD1 4.26Å; I90-F114 HydrophobicContact CG1-CD1 4.29Å; I90-F114 HydrophobicContact CG2-CD1 3.67Å; I90-F114 HydrophobicContact CG2-CE1 3.72Å
91D76.3Confident77.6Confident62 Ų6260 Ų6033%0.33232%0.323SS..  trans-78.781.1172-175.94.7000110.8S93 R94 V113D91-S93 PolarHBondContact O-N 3.25Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.86Å; D91-S93 VanDerWaalsContact OD1-N 3.17Å; D91-S93 PolarHBondContact OD1-OG 3.06Å; D91-S93 PolarHBondContact OD2-OG 2.9Å; D91-R94 PolarHBondContact O-N 3.05Å; D91-R94 WeakPolarHBondContact OD2-CD 3.34Å; D91-R94 WeakPolarHBondContact OD2-CG 3.35Å; D91-R94 IonicContact OD2-CZ 3.35Å; D91-R94 IonicContact OD2-NE 3.98Å; D91-R94 PolarHBondContact OD2-NE 3.39Å; D91-V113 PolarHBondContact N-O 3.11Å
92F73.9Confident77.6Confident29 Ų2956 Ų5613%0.12730%0.304CS..G310 helixtrans-57-19.6178.6-68.7-80.6000114.2I10 F11 Y14 A87 I90 R94 C95I10-F92 HydrophobicContact CG2-CD2 4.37Å; I10-F92 HydrophobicContact CG2-CE2 3.47Å; I10-F92 VanDerWaalsContact CG2-CE2 3.47Å; I10-F92 HydrophobicContact CG2-CZ 3.57Å; F11-F92 HydrophobicContact CD1-CE1 4.15Å; F11-F92 HydrophobicContact CD2-CE1 4.39Å; F11-F92 HydrophobicContact CD2-CZ 4.35Å; F11-F92 AromaticContact CE1-CE1 3.77Å; F11-F92 HydrophobicContact CE1-CE1 3.77Å; F11-F92 HydrophobicContact CE2-CE1 4.02Å; F11-F92 AromaticContact CE2-CZ 3.94Å; F11-F92 HydrophobicContact CE2-CZ 3.94Å; F11-F92 HydrophobicContact CG-CE1 4.46Å; F11-F92 AromaticContact CZ-CE1 3.69Å; F11-F92 HydrophobicContact CZ-CE1 3.69Å; F11-F92 HydrophobicContact CZ-CZ 4.02Å; Y14-F92 HydrophobicContact CD1-CD1 4.27Å; Y14-F92 HydrophobicContact CD2-CB 3.7Å; Y14-F92 HydrophobicContact CD2-CG 4.37Å; Y14-F92 HydrophobicContact CE2-CB 3.75Å; Y14-F92 VanDerWaalsContact CE2-O 3.24Å; Y14-F92 WeakPolarHBondContact CE2-O 3.43Å; Y14-F92 HydrophobicContact CG-CB 4.2Å; Y14-F92 HydrophobicContact CG-CD1 4.2Å; Y14-F92 HydrophobicContact CG-CG 4.42Å; Y14-F92 PolarHBondContact OH-O 2.87Å; A87-F92 VanDerWaalsContact O-CE2 3.22Å; A87-F92 WeakPolarHBondContact O-CE2 3.36Å; I90-F92 VanDerWaalsContact C-N 3.33Å; I90-F92 HydrophobicContact CB-CD2 4.34Å; I90-F92 HydrophobicContact CB-CE2 3.95Å; I90-F92 HydrophobicContact CB-CZ 4.06Å; I90-F92 HydrophobicContact CD1-CZ 4.41Å; I90-F92 HydrophobicContact CG2-CD1 4.33Å; I90-F92 HydrophobicContact CG2-CD2 4.42Å; I90-F92 HydrophobicContact CG2-CE1 4.24Å; I90-F92 HydrophobicContact CG2-CE2 4.33Å; I90-F92 HydrophobicContact CG2-CG 4.41Å; I90-F92 HydrophobicContact CG2-CZ 4.23Å; I90-F92 VanDerWaalsContact O-CD2 3.27Å; I90-F92 WeakPolarHBondContact O-CD2 3.3Å; I90-F92 PolarHBondContact O-N 3.04Å; F92-R94 PolarHBondContact O-N 3.45Å; F92-R94 VanDerWaalsContact O-N 3.15Å; F92-C95 PolarHBondContact O-N 3.46Å; F92-C95 VanDerWaalsContact O-N 3.14Å
93S70.6Confident77.6Confident93 Ų9354.2 Ų54.265%0.6530%0.302SS*.G310 helixtrans-64.1-18.7175.477.50000112.9D91D91-S93 PolarHBondContact O-N 3.25Å; D91-S93 WeakPolarHBondContact OD1-CB 3.44Å; D91-S93 PolarHBondContact OD1-N 2.86Å; D91-S93 VanDerWaalsContact OD1-N 3.17Å; D91-S93 PolarHBondContact OD1-OG 3.06Å; D91-S93 PolarHBondContact OD2-OG 2.9Å
94R68.6Low77.3Confident136 Ų13657.8 Ų57.851%0.51332%0.321SS..G310 helixtrans-102.4-2.9178-61.5174.5-175-94.3-6.3113.8D91 F92 D96 M97 V113D91-R94 PolarHBondContact O-N 3.05Å; D91-R94 WeakPolarHBondContact OD2-CD 3.34Å; D91-R94 WeakPolarHBondContact OD2-CG 3.35Å; D91-R94 IonicContact OD2-CZ 3.35Å; D91-R94 IonicContact OD2-NE 3.98Å; D91-R94 PolarHBondContact OD2-NE 3.39Å; F92-R94 PolarHBondContact O-N 3.45Å; F92-R94 VanDerWaalsContact O-N 3.15Å; R94-D96 PolarHBondContact O-N 2.76Å; R94-M97 WeakPolarHBondContact O-CE 3.48Å; R94-V113 HydrophobicContact CB-CG1 4Å; R94-V113 HydrophobicContact CB-CG2 3.7Å; R94-V113 HydrophobicContact CG-CG2 4.36Å
95C71.9Confident77.3Confident1 Ų152 Ų521%0.00730%0.298CS..  trans-82.75.6-178.1-65.40000114L73 F92 M97 F114L73-C95 HydrophobicContact CD2-CB 3.83Å; F92-C95 PolarHBondContact O-N 3.46Å; F92-C95 VanDerWaalsContact O-N 3.14Å; C95-M97 PolarHBondContact O-N 3.07Å; C95-F114 VanDerWaalsContact SG-CE1 3.56Å
96D78.4Confident77.1Confident66 Ų6651.6 Ų51.635%0.35331%0.305SS..  trans-79.655176.7-172.442.5000112.7Y19 K69 R94Y19-D96 PolarHBondContact OH-OD1 2.97Å; Y19-D96 VanDerWaalsContact OH-OD1 3.13Å; K69-D96 WeakPolarHBondContact CD-OD1 3.3Å; K69-D96 VanDerWaalsContact CE-OD1 3.29Å; K69-D96 WeakPolarHBondContact CE-OD1 3.45Å; K69-D96 IonicContact NZ-OD1 2.66Å; K69-D96 PolarHBondContact NZ-OD1 3.4Å; K69-D96 IonicContact NZ-OD2 2.75Å; K69-D96 PolarHBondContact NZ-OD2 2.84Å; R94-D96 PolarHBondContact O-N 2.76Å
97M82.6Confident77.1Confident15 Ų1548.7 Ų48.77%0.07429%0.289CS..  trans-118.1140.9-177.162.6-178.573.900111.6V72 R94 C95 T101 L102V72-M97 HydrophobicContact CG1-CG 4.13Å; R94-M97 WeakPolarHBondContact O-CE 3.48Å; C95-M97 PolarHBondContact O-N 3.07Å; M97-T101 HydrophobicContact CB-CG2 3.91Å; M97-L102 HydrophobicContact CG-CB 4.45Å; M97-L102 HydrophobicContact SD-CB 4.1Å; M97-L102 HydrophobicContact SD-CD1 3.53Å; M97-L102 VanDerWaalsContact SD-CD1 3.53Å; M97-L102 HydrophobicContact SD-CG 4.43Å
98D82.3Confident77.3Confident62 Ų6254 Ų5433%0.33231%0.314SS..  trans-83.7172169.9684.5000111.1K69 A100 T101 L102K69-D98 HydrophobicContact CG-CB 4.12Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 3.03Å; D98-T101 PolarHBondContact O-N 3.35Å; D98-T101 WeakPolarHBondContact OD1-CB 3.49Å; D98-T101 PolarHBondContact OD1-N 3.28Å; D98-T101 PolarHBondContact OD1-OG1 3.48Å; D98-L102 WeakPolarHBondContact O-CB 3.13Å; D98-L102 PolarHBondContact O-N 2.98Å
99G81.7Confident77.5Confident0 Ų054.9 Ų54.90%031%0.308CS..Hα-helixtrans-61.7-35.3-177.600000113.5P64 W67 L102 C103P64-G99 CarbonylContact O-C 3.49Å; P64-G99 VanDerWaalsContact O-C 3.31Å; P64-G99 WeakPolarHBondContact O-CA 3.32Å; W67-G99 WeakPolarHBondContact O-CA 3.16Å; W67-G99 PolarHBondContact O-N 3.17Å; G99-L102 PolarHBondContact O-N 2.75Å; G99-C103 WeakPolarHBondContact O-CB 3.25Å; G99-C103 PolarHBondContact O-N 3.37Å; G99-C103 PolarHBondContact O-SG 2.89Å
100A77.8Confident77.9Confident38 Ų3852.2 Ų52.231%0.31429%0.285SS..Hα-helixtrans-64.4-46.4174.200000111.4Q65 D98 C103 N104Q65-A100 PolarHBondContact O-N 3.17Å; D98-A100 VanDerWaalsContact C-N 3.29Å; D98-A100 PolarHBondContact O-N 3.03Å; A100-C103 PolarHBondContact O-N 3.11Å; A100-N104 PolarHBondContact O-N 3.44Å; A100-N104 PolarHBondContact O-ND2 3.13Å
101T81.4Confident78.1Confident76 Ų7656.5 Ų56.547%0.46630%0.301SS..Hα-helixtrans-63.1-46.6175.4-55.50000110.7M97 D98 C103 N104 C105M97-T101 HydrophobicContact CB-CG2 3.91Å; D98-T101 PolarHBondContact O-N 3.35Å; D98-T101 WeakPolarHBondContact OD1-CB 3.49Å; D98-T101 PolarHBondContact OD1-N 3.28Å; D98-T101 PolarHBondContact OD1-OG1 3.48Å; T101-C103 VanDerWaalsContact C-N 3.29Å; T101-C103 PolarHBondContact O-N 3.23Å; T101-N104 CarbonylContact O-C 3.48Å; T101-N104 PolarHBondContact O-N 2.95Å; T101-N104 VanDerWaalsContact O-N 3.1Å; T101-C105 WeakPolarHBondContact O-CB 3.37Å; T101-C105 PolarHBondContact O-N 3.44Å
102L82.6Confident78.4Confident2 Ų259.2 Ų59.21%0.0132%0.315CS..Hα-helixtrans-57.7-38.3177.9-178.670.6000112.7W67 V72 W75 M97 D98 G99 L110 L125W67-L102 HydrophobicContact CE3-CD2 4.1Å; W67-L102 HydrophobicContact CZ3-CD2 4.06Å; V72-L102 HydrophobicContact CG1-CD2 3.94Å; V72-L102 HydrophobicContact CG2-CD2 4.04Å; W75-L102 HydrophobicContact CE3-CD2 4.06Å; W75-L102 HydrophobicContact CZ3-CD2 3.98Å; M97-L102 HydrophobicContact CG-CB 4.45Å; M97-L102 HydrophobicContact SD-CB 4.1Å; M97-L102 HydrophobicContact SD-CD1 3.53Å; M97-L102 VanDerWaalsContact SD-CD1 3.53Å; M97-L102 HydrophobicContact SD-CG 4.43Å; D98-L102 WeakPolarHBondContact O-CB 3.13Å; D98-L102 PolarHBondContact O-N 2.98Å; G99-L102 PolarHBondContact O-N 2.75Å; L102-L110 HydrophobicContact CD1-CD2 4.02Å; L102-L125 HydrophobicContact CD1-CD1 3.92Å; L102-L125 HydrophobicContact CD2-CD1 4.17Å; L102-L125 HydrophobicContact CD2-CD2 3.7Å; L102-L125 HydrophobicContact CG-CD1 3.72Å; L102-L125 HydrophobicContact CG-CD2 3.98Å
103C78.2Confident78.7Confident48 Ų4858.4 Ų58.432%0.32431%0.312SS..Hα-helixtrans-76.7-21178.1-66.60000114.2P64 G99 A100 T101P64-C103 VanDerWaalsContact CB-SG 3.5Å; G99-C103 WeakPolarHBondContact O-CB 3.25Å; G99-C103 PolarHBondContact O-N 3.37Å; G99-C103 PolarHBondContact O-SG 2.89Å; A100-C103 PolarHBondContact O-N 3.11Å; T101-C103 VanDerWaalsContact C-N 3.29Å; T101-C103 PolarHBondContact O-N 3.23Å
104N74.8Confident79.1Confident141 Ų14154 Ų5475%0.75428%0.281SS*.Hα-helixtrans-98.5-9.6175.8-72-79.1000113A100 T101A100-N104 PolarHBondContact O-N 3.44Å; A100-N104 PolarHBondContact O-ND2 3.13Å; T101-N104 CarbonylContact O-C 3.48Å; T101-N104 PolarHBondContact O-N 2.95Å; T101-N104 VanDerWaalsContact O-N 3.1Å
105C78.7Confident79.7Confident18 Ų1848.7 Ų48.712%0.12227%0.269CS..SBendtrans-65.8131.8178.9-169.70000110.8T101 E109 L110T101-C105 WeakPolarHBondContact O-CB 3.37Å; T101-C105 PolarHBondContact O-N 3.44Å; C105-E109 VanDerWaalsContact SG-CB 3.55Å; C105-L110 HydrophobicContact CB-CD2 4.32Å; C105-L110 HydrophobicContact CB-CG 4.31Å
106A75.5Confident79.9Confident41 Ų4153.4 Ų53.434%0.33930%0.3SS..  trans-69.3151.7-177.400000111.7E108 E109 L110A106-E108 PolarHBondContact O-N 3.37Å; A106-E108 VanDerWaalsContact O-N 3.16Å; A106-E109 HydrophobicContact CB-CB 4.46Å; A106-E109 HydrophobicContact CB-CG 4.12Å; A106-E109 PolarHBondContact N-OE2 3.02Å; A106-E109 WeakPolarHBondContact O-CB 3.28Å; A106-E109 PolarHBondContact O-N 3.31Å; A106-L110 PolarHBondContact O-N 3.15Å
107L78.9Confident80Confident35 Ų3550.5 Ų50.518%0.18328%0.284CS..Hα-helixtrans-52.6-37.6172.5171.961.6000111.5L110 R111 H122L107-L110 PolarHBondContact O-N 3.39Å; L107-R111 HydrophobicContact CD1-CG 4.32Å; L107-R111 WeakPolarHBondContact O-CB 3.43Å; L107-R111 VanDerWaalsContact O-CG 3.24Å; L107-R111 WeakPolarHBondContact O-CG 3.48Å; L107-R111 PolarHBondContact O-N 3.01Å; L107-H122 HydrophobicContact CD1-CB 3.66Å
108E80.4Confident80Confident113 Ų11349.8 Ų49.853%0.52828%0.28SS..Hα-helixtrans-67.2-34.8178.7-71.654.7-122.600112.3A106 R111 L112A106-E108 PolarHBondContact O-N 3.37Å; A106-E108 VanDerWaalsContact O-N 3.16Å; E108-R111 IonicContact OE1-NH1 2.7Å; E108-R111 PolarHBondContact OE1-NH1 2.78Å; E108-R111 VanDerWaalsContact OE1-NH1 3.14Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 PolarHBondContact O-N 3.02Å; E108-L112 VanDerWaalsContact O-N 3.11Å
109E80.8Confident79.8Confident108 Ų10850 Ų5051%0.50528%0.282SS..Hα-helixtrans-75.8-43.5175.8-66.1175.2136.200110.8C105 A106 R111 L112 V113C105-E109 VanDerWaalsContact SG-CB 3.55Å; A106-E109 HydrophobicContact CB-CB 4.46Å; A106-E109 HydrophobicContact CB-CG 4.12Å; A106-E109 PolarHBondContact N-OE2 3.02Å; A106-E109 WeakPolarHBondContact O-CB 3.28Å; A106-E109 PolarHBondContact O-N 3.31Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 2.91Å; E109-L112 WeakPolarHBondContact O-CA 3.49Å; E109-L112 WeakPolarHBondContact O-CB 3.25Å; E109-L112 PolarHBondContact O-N 3.07Å; E109-V113 WeakPolarHBondContact O-CG2 3.4Å; E109-V113 PolarHBondContact O-N 2.99Å
110L81.9Confident79.8Confident1 Ų153.9 Ų53.91%0.00530%0.3CS..Hα-helixtrans-61.1-38.4173.3-67.9174.7000111.8L102 C105 A106 L107 L112 F114 G118 H122 L125L102-L110 HydrophobicContact CD1-CD2 4.02Å; C105-L110 HydrophobicContact CB-CD2 4.32Å; C105-L110 HydrophobicContact CB-CG 4.31Å; A106-L110 PolarHBondContact O-N 3.15Å; L107-L110 PolarHBondContact O-N 3.39Å; L110-L112 VanDerWaalsContact C-N 3.31Å; L110-L112 PolarHBondContact O-N 2.7Å; L110-F114 HydrophobicContact CB-CD2 4.5Å; L110-F114 HydrophobicContact CD2-CD2 4.02Å; L110-F114 HydrophobicContact CD2-CE2 3.8Å; L110-F114 WeakPolarHBondContact O-CB 3.29Å; L110-F114 WeakPolarHBondContact O-CD2 3.38Å; L110-F114 PolarHBondContact O-N 3.4Å; L110-G118 WeakPolarHBondContact O-CA 3.37Å; L110-H122 HydrophobicContact CD1-CB 3.79Å; L110-L125 HydrophobicContact CD1-CD1 4.21Å
111R83.3Confident80.1Confident102 Ų10252.1 Ų52.139%0.38529%0.285SS..Hα-helixtrans-64.5-31.6170.5-79.7168.8167.6160.1-4.2113.2L107 E108 E109 G115 D119L107-R111 HydrophobicContact CD1-CG 4.32Å; L107-R111 WeakPolarHBondContact O-CB 3.43Å; L107-R111 VanDerWaalsContact O-CG 3.24Å; L107-R111 WeakPolarHBondContact O-CG 3.48Å; L107-R111 PolarHBondContact O-N 3.01Å; E108-R111 IonicContact OE1-NH1 2.7Å; E108-R111 PolarHBondContact OE1-NH1 2.78Å; E108-R111 VanDerWaalsContact OE1-NH1 3.14Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 2.91Å; R111-G115 WeakPolarHBondContact O-CA 3.15Å; R111-G115 PolarHBondContact O-N 3.11Å; R111-D119 IonicContact CZ-OD1 3.14Å; R111-D119 VanDerWaalsContact CZ-OD1 3.32Å; R111-D119 IonicContact CZ-OD2 3.32Å; R111-D119 VanDerWaalsContact NE-CG 3.34Å; R111-D119 IonicContact NE-OD1 3.97Å; R111-D119 PolarHBondContact NE-OD1 3.1Å; R111-D119 IonicContact NE-OD2 3.54Å; R111-D119 PolarHBondContact NE-OD2 3.4Å; R111-D119 IonicContact NH2-OD1 3.51Å; R111-D119 PolarHBondContact NH2-OD1 3.43Å; R111-D119 IonicContact NH2-OD2 2.69Å; R111-D119 PolarHBondContact NH2-OD2 3.22Å
112L82Confident80.1Confident119 Ų11951.4 Ų51.462%0.62328%0.276SS*.Hα-helixtrans-76.6-36179-167.4150.9000112E108 E109 L110E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 PolarHBondContact O-N 3.02Å; E108-L112 VanDerWaalsContact O-N 3.11Å; E109-L112 WeakPolarHBondContact O-CA 3.49Å; E109-L112 WeakPolarHBondContact O-CB 3.25Å; E109-L112 PolarHBondContact O-N 3.07Å; L110-L112 VanDerWaalsContact C-N 3.31Å; L110-L112 PolarHBondContact O-N 2.7Å
113V79.7Confident79.9Confident11 Ų1152.6 Ų52.67%0.06729%0.287CS..Hα-helixtrans-82.1-40.7178.6-179.10000112.8D91 R94 E109D91-V113 PolarHBondContact N-O 3.11Å; R94-V113 HydrophobicContact CB-CG1 4Å; R94-V113 HydrophobicContact CB-CG2 3.7Å; R94-V113 HydrophobicContact CG-CG2 4.36Å; E109-V113 WeakPolarHBondContact O-CG2 3.4Å; E109-V113 PolarHBondContact O-N 2.99Å
114F80.1Confident80Confident0 Ų052.5 Ų52.50%028%0.281CS..Hα-helixtrans-113.72.7-171.1-55.3-73.7000114I76 Y85 I90 C95 L110 L117 L121I76-F114 HydrophobicContact CD1-CE1 4.09Å; I76-F114 HydrophobicContact CD1-CZ 3.72Å; I76-F114 HydrophobicContact CG1-CZ 4.4Å; I76-F114 HydrophobicContact CG2-CD1 4.38Å; I76-F114 HydrophobicContact CG2-CE1 3.8Å; I76-F114 HydrophobicContact CG2-CZ 4.47Å; Y85-F114 PolarHBondContact OH-O 3.18Å; Y85-F114 VanDerWaalsContact OH-O 3.05Å; I90-F114 HydrophobicContact CD1-CD1 4.26Å; I90-F114 HydrophobicContact CG1-CD1 4.29Å; I90-F114 HydrophobicContact CG2-CD1 3.67Å; I90-F114 HydrophobicContact CG2-CE1 3.72Å; C95-F114 VanDerWaalsContact SG-CE1 3.56Å; L110-F114 HydrophobicContact CB-CD2 4.5Å; L110-F114 HydrophobicContact CD2-CD2 4.02Å; L110-F114 HydrophobicContact CD2-CE2 3.8Å; L110-F114 WeakPolarHBondContact O-CB 3.29Å; L110-F114 WeakPolarHBondContact O-CD2 3.38Å; L110-F114 PolarHBondContact O-N 3.4Å; F114-L117 HydrophobicContact CB-CB 4.25Å; F114-L117 WeakPolarHBondContact O-CB 3.33Å; F114-L117 PolarHBondContact O-N 2.99Å; F114-L121 HydrophobicContact CB-CD1 3.9Å; F114-L121 HydrophobicContact CD1-CD1 3.95Å; F114-L121 HydrophobicContact CD2-CD1 3.59Å; F114-L121 HydrophobicContact CE1-CD1 4.41Å; F114-L121 HydrophobicContact CE2-CD1 4.09Å; F114-L121 HydrophobicContact CG-CD1 3.52Å; F114-L121 HydrophobicContact CZ-CD1 4.48Å
115G80.1Confident80.2Confident25 Ų2546.2 Ų46.226%0.25825%0.248SC..THydrogen-bonded Turntrans60.6-142.3-177.500000112.1R111 L117 G118R111-G115 WeakPolarHBondContact O-CA 3.15Å; R111-G115 PolarHBondContact O-N 3.11Å; G115-L117 PolarHBondContact O-N 2.9Å; G115-L117 VanDerWaalsContact O-N 3.13Å; G115-G118 PolarHBondContact O-N 3.13Å
116P76Confident80Confident100 Ų10052.7 Ų52.765%0.64927%0.27SS*.THydrogen-bonded Turntrans-66.3-9.5177.427.4-34.6000114.4Y85 G118Y85-P116 HydrophobicContact CE2-CG 4.14Å; P116-G118 VanDerWaalsContact C-N 3.28Å
117L80.7Confident79.9Confident5 Ų554.1 Ų54.13%0.02627%0.272CS..Hα-helixtrans-70.7-27.1166.9-175.266.9000111.3V80 N83 Y85 F114 G115 D119 Q120 L121V80-L117 HydrophobicContact CG2-CD2 3.56Å; N83-L117 HydrophobicContact CB-CD1 4.22Å; Y85-L117 HydrophobicContact CD1-CB 4Å; Y85-L117 HydrophobicContact CD1-CD2 3.65Å; Y85-L117 HydrophobicContact CD1-CG 4.37Å; Y85-L117 HydrophobicContact CD2-CB 3.89Å; Y85-L117 HydrophobicContact CE1-CB 3.99Å; Y85-L117 HydrophobicContact CE1-CD2 4.26Å; Y85-L117 HydrophobicContact CE2-CB 3.91Å; Y85-L117 HydrophobicContact CG-CB 3.94Å; Y85-L117 HydrophobicContact CG-CD1 4.37Å; Y85-L117 HydrophobicContact CG-CD2 3.85Å; Y85-L117 HydrophobicContact CG-CG 4.26Å; F114-L117 HydrophobicContact CB-CB 4.25Å; F114-L117 WeakPolarHBondContact O-CB 3.33Å; F114-L117 PolarHBondContact O-N 2.99Å; G115-L117 PolarHBondContact O-N 2.9Å; G115-L117 VanDerWaalsContact O-N 3.13Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 PolarHBondContact O-N 3.5Å; L117-Q120 HydrophobicContact CD1-CB 4.39Å; L117-Q120 WeakPolarHBondContact O-CA 3.45Å; L117-Q120 WeakPolarHBondContact O-CB 3.06Å; L117-Q120 PolarHBondContact O-N 2.84Å; L117-L121 HydrophobicContact CD2-CD1 4.27Å; L117-L121 HydrophobicContact CG-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD2 4.42Å; L117-L121 HydrophobicContact CG-CG 4.01Å; L117-L121 WeakPolarHBondContact O-CG 3.27Å; L117-L121 PolarHBondContact O-N 3.49Å
118G82.4Confident79.5Confident0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-57.4-39.6-18000000113.8L110 G115 P116 Q120 L121 H122L110-G118 WeakPolarHBondContact O-CA 3.37Å; G115-G118 PolarHBondContact O-N 3.13Å; P116-G118 VanDerWaalsContact C-N 3.28Å; G118-Q120 VanDerWaalsContact C-N 3.34Å; G118-Q120 PolarHBondContact O-N 3.02Å; G118-L121 PolarHBondContact O-N 2.9Å; G118-H122 WeakPolarHBondContact O-CB 3.47Å; G118-H122 PolarHBondContact O-N 3.3Å
119D79.1Confident78.7Confident66 Ų6652.4 Ų52.435%0.35327%0.268SS..Hα-helixtrans-57.4-45.4171-85.3-78.2000112.3R111 L117 A123R111-D119 IonicContact CZ-OD1 3.14Å; R111-D119 VanDerWaalsContact CZ-OD1 3.32Å; R111-D119 IonicContact CZ-OD2 3.32Å; R111-D119 VanDerWaalsContact NE-CG 3.34Å; R111-D119 IonicContact NE-OD1 3.97Å; R111-D119 PolarHBondContact NE-OD1 3.1Å; R111-D119 IonicContact NE-OD2 3.54Å; R111-D119 PolarHBondContact NE-OD2 3.4Å; R111-D119 IonicContact NH2-OD1 3.51Å; R111-D119 PolarHBondContact NH2-OD1 3.43Å; R111-D119 IonicContact NH2-OD2 2.69Å; R111-D119 PolarHBondContact NH2-OD2 3.22Å; L117-D119 VanDerWaalsContact C-N 3.32Å; L117-D119 PolarHBondContact O-N 3.5Å; D119-A123 VanDerWaalsContact O-CB 3.27Å; D119-A123 WeakPolarHBondContact O-CB 3.08Å; D119-A123 PolarHBondContact O-N 3.12Å
120Q81.9Confident77.6Confident83 Ų8348.8 Ų48.839%0.38825%0.254SS..Hα-helixtrans-73.2-32.7-178.1-17158.87000112.3L117 G118 Q124L117-Q120 HydrophobicContact CD1-CB 4.39Å; L117-Q120 WeakPolarHBondContact O-CA 3.45Å; L117-Q120 WeakPolarHBondContact O-CB 3.06Å; L117-Q120 PolarHBondContact O-N 2.84Å; G118-Q120 VanDerWaalsContact C-N 3.34Å; G118-Q120 PolarHBondContact O-N 3.02Å; Q120-Q124 WeakPolarHBondContact O-CB 3.27Å; Q120-Q124 WeakPolarHBondContact O-CG 3.43Å; Q120-Q124 PolarHBondContact O-N 3.08Å
121L83Confident76.4Confident1 Ų152 Ų521%0.00528%0.277CS..Hα-helixtrans-68.7-49.8172.8-64.5173.5000110.8W75 Q79 F114 L117 G118 A123 Q124 L125W75-L121 HydrophobicContact CH2-CB 3.9Å; W75-L121 HydrophobicContact CH2-CD2 3.56Å; W75-L121 HydrophobicContact CH2-CG 4.29Å; W75-L121 HydrophobicContact CZ2-CD2 4.3Å; W75-L121 HydrophobicContact CZ3-CB 4.31Å; W75-L121 HydrophobicContact CZ3-CD2 3.72Å; W75-L121 HydrophobicContact CZ3-CG 4.46Å; Q79-L121 HydrophobicContact CB-CD2 3.57Å; Q79-L121 HydrophobicContact CG-CD2 3.77Å; F114-L121 HydrophobicContact CB-CD1 3.9Å; F114-L121 HydrophobicContact CD1-CD1 3.95Å; F114-L121 HydrophobicContact CD2-CD1 3.59Å; F114-L121 HydrophobicContact CE1-CD1 4.41Å; F114-L121 HydrophobicContact CE2-CD1 4.09Å; F114-L121 HydrophobicContact CG-CD1 3.52Å; F114-L121 HydrophobicContact CZ-CD1 4.48Å; L117-L121 HydrophobicContact CD2-CD1 4.27Å; L117-L121 HydrophobicContact CG-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD2 4.42Å; L117-L121 HydrophobicContact CG-CG 4.01Å; L117-L121 WeakPolarHBondContact O-CG 3.27Å; L117-L121 PolarHBondContact O-N 3.49Å; G118-L121 PolarHBondContact O-N 2.9Å; L121-A123 VanDerWaalsContact C-N 3.34Å; L121-A123 PolarHBondContact O-N 3.3Å; L121-Q124 PolarHBondContact O-N 2.88Å; L121-L125 WeakPolarHBondContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 2.8Å
122H82.1Confident74.7Confident60 Ų6048.8 Ų48.828%0.27827%0.27SS..Hα-helixtrans-60.9-41.6177.5-178-94.4000111.8L107 L110 G118 L125 R126L107-H122 HydrophobicContact CD1-CB 3.66Å; L110-H122 HydrophobicContact CD1-CB 3.79Å; G118-H122 WeakPolarHBondContact O-CB 3.47Å; G118-H122 PolarHBondContact O-N 3.3Å; H122-L125 PolarHBondContact O-N 2.91Å; H122-R126 WeakPolarHBondContact O-CB 3.33Å; H122-R126 PolarHBondContact O-N 3.33Å
123A78.9Confident73.2Confident28 Ų2845.5 Ų45.523%0.23126%0.257CS..Hα-helixtrans-58.9-49.4172.700000111.6D119 L121 L125 R126 D127D119-A123 VanDerWaalsContact O-CB 3.27Å; D119-A123 WeakPolarHBondContact O-CB 3.08Å; D119-A123 PolarHBondContact O-N 3.12Å; L121-A123 VanDerWaalsContact C-N 3.34Å; L121-A123 PolarHBondContact O-N 3.3Å; A123-L125 PolarHBondContact O-N 3.09Å; A123-R126 PolarHBondContact O-N 3.15Å; A123-D127 PolarHBondContact O-N 2.9Å
124Q79.1Confident71.9Confident45 Ų4549.5 Ų49.521%0.2128%0.278CS..Hα-helixtrans-70-31.5-179-68.6-84.1-10000113.5W75 Q120 L121 D127 L128W75-Q124 HydrophobicContact CZ2-CB 4.15Å; Q120-Q124 WeakPolarHBondContact O-CB 3.27Å; Q120-Q124 WeakPolarHBondContact O-CG 3.43Å; Q120-Q124 PolarHBondContact O-N 3.08Å; L121-Q124 PolarHBondContact O-N 2.88Å; Q124-D127 PolarHBondContact NE2-OD2 3.45Å; Q124-L128 WeakPolarHBondContact O-CB 3.27Å; Q124-L128 WeakPolarHBondContact O-CD1 3.19Å; Q124-L128 WeakPolarHBondContact O-CG 3.43Å; Q124-L128 PolarHBondContact O-N 3.29Å
125L79.9Confident70.7Confident9 Ų953.6 Ų53.65%0.04730%0.297CS..Hα-helixtrans-64.6-46.5170.4-77160.3000110.5P64 W67 W75 L102 L110 L121 H122 A123 L128 T129P64-L125 HydrophobicContact CB-CD2 4.2Å; W67-L125 HydrophobicContact CZ3-CD2 4.12Å; W75-L125 HydrophobicContact CH2-CD1 3.84Å; W75-L125 HydrophobicContact CH2-CD2 3.93Å; W75-L125 HydrophobicContact CH2-CG 3.51Å; W75-L125 HydrophobicContact CZ2-CD2 4.25Å; W75-L125 HydrophobicContact CZ2-CG 4.03Å; W75-L125 HydrophobicContact CZ3-CD1 4.12Å; W75-L125 HydrophobicContact CZ3-CD2 4.2Å; W75-L125 HydrophobicContact CZ3-CG 4.11Å; L102-L125 HydrophobicContact CD1-CD1 3.92Å; L102-L125 HydrophobicContact CD2-CD1 4.17Å; L102-L125 HydrophobicContact CD2-CD2 3.7Å; L102-L125 HydrophobicContact CG-CD1 3.72Å; L102-L125 HydrophobicContact CG-CD2 3.98Å; L110-L125 HydrophobicContact CD1-CD1 4.21Å; L121-L125 WeakPolarHBondContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 2.8Å; H122-L125 PolarHBondContact O-N 2.91Å; A123-L125 PolarHBondContact O-N 3.09Å; L125-L128 PolarHBondContact O-N 3.21Å; L125-T129 WeakPolarHBondContact O-CB 3.37Å; L125-T129 PolarHBondContact O-N 3.47Å; L125-T129 PolarHBondContact O-OG1 3.47Å; L125-T129 VanDerWaalsContact O-OG1 3.12Å
126R74.8Confident69.8Low155 Ų15553.1 Ų53.159%0.58529%0.289SS*.Hα-helixtrans-62.2-43.4175.5-166.6-173.765.4-173.5-2.3111.3H122 A123 L128 T129 S130H122-R126 WeakPolarHBondContact O-CB 3.33Å; H122-R126 PolarHBondContact O-N 3.33Å; A123-R126 PolarHBondContact O-N 3.15Å; R126-L128 PolarHBondContact O-N 2.98Å; R126-T129 PolarHBondContact O-N 2.91Å; R126-S130 WeakPolarHBondContact O-CB 3.33Å; R126-S130 PolarHBondContact O-N 2.9Å; R126-S130 PolarHBondContact O-OG 2.84Å
127D72.6Confident69.1Low71 Ų7150.7 Ų50.738%0.3827%0.274SS..Hα-helixtrans-60.3-43.2176.2-59.4-27.8000111.6A123 Q124 S131A123-D127 PolarHBondContact O-N 2.9Å; Q124-D127 PolarHBondContact NE2-OD2 3.45Å; D127-S131 VanDerWaalsContact O-CB 3.25Å; D127-S131 WeakPolarHBondContact O-CB 3.12Å; D127-S131 PolarHBondContact O-N 3.49Å; D127-S131 PolarHBondContact O-OG 2.95Å
128L70.1Confident68.3Low62 Ų6256.6 Ų56.633%0.32530%0.296SS..Hα-helixtrans-65.4-45.5178.2-75.3166.1000111.6P64 W67 Q124 L125 R126 S131P64-L128 HydrophobicContact CG-CB 3.76Å; P64-L128 HydrophobicContact CG-CD1 4.29Å; W67-L128 HydrophobicContact CH2-CD1 3.89Å; W67-L128 HydrophobicContact CZ2-CD1 4.35Å; Q124-L128 WeakPolarHBondContact O-CB 3.27Å; Q124-L128 WeakPolarHBondContact O-CD1 3.19Å; Q124-L128 WeakPolarHBondContact O-CG 3.43Å; Q124-L128 PolarHBondContact O-N 3.29Å; L125-L128 PolarHBondContact O-N 3.21Å; R126-L128 PolarHBondContact O-N 2.98Å; L128-S131 PolarHBondContact O-OG 2.75Å
129T64.7Low67.6Low50 Ų5056.9 Ų56.931%0.30730%0.297SS..Hα-helixtrans-68.5-47.6178.2-61.70000111.4L125 R126 S131 S132L125-T129 WeakPolarHBondContact O-CB 3.37Å; L125-T129 PolarHBondContact O-N 3.47Å; L125-T129 PolarHBondContact O-OG1 3.47Å; L125-T129 VanDerWaalsContact O-OG1 3.12Å; R126-T129 PolarHBondContact O-N 2.91Å; T129-S131 PolarHBondContact O-N 3.02Å; T129-S132 PolarHBondContact O-N 3.29Å; T129-S132 VanDerWaalsContact O-N 3.15Å; T129-S132 PolarHBondContact O-OG 2.83Å
130S57.5Low67.2Low31 Ų3154.3 Ų54.322%0.21728%0.284CS..Hα-helixtrans-69.4-31.3-175.298.30000112.6R126 S132 S133 D134R126-S130 WeakPolarHBondContact O-CB 3.33Å; R126-S130 PolarHBondContact O-N 2.9Å; R126-S130 PolarHBondContact O-OG 2.84Å; S130-S132 PolarHBondContact O-N 3.1Å; S130-S133 PolarHBondContact O-N 3.33Å; S130-D134 VanDerWaalsContact CB-CG 3.47Å; S130-D134 WeakPolarHBondContact CB-OD2 3.44Å; S130-D134 WeakPolarHBondContact O-CB 3.49Å; S130-D134 PolarHBondContact O-N 2.93Å; S130-D134 PolarHBondContact OG-OD2 3.29Å
131S56.2Low66.7Low68 Ų6856.9 Ų56.948%0.47630%0.296SS..Hα-helixtrans-56.9-13.1172.374.40000114.9D127 L128 T129D127-S131 VanDerWaalsContact O-CB 3.25Å; D127-S131 WeakPolarHBondContact O-CB 3.12Å; D127-S131 PolarHBondContact O-N 3.49Å; D127-S131 PolarHBondContact O-OG 2.95Å; L128-S131 PolarHBondContact O-OG 2.75Å; T129-S131 PolarHBondContact O-N 3.02Å
132S48.2Very low66Low36 Ų3660.6 Ų60.625%0.25232%0.315SS..Hα-helixtrans-102.7-22.1176.670.90000115.3Q63 T129 S130 L136Q63-S132 PolarHBondContact NE2-OG 3.2Å; T129-S132 PolarHBondContact O-N 3.29Å; T129-S132 VanDerWaalsContact O-N 3.15Å; T129-S132 PolarHBondContact O-OG 2.83Å; S130-S132 PolarHBondContact O-N 3.1Å; S132-L136 WeakPolarHBondContact O-CD1 3.42Å
133S50.3Low65.2Low50 Ų5060.1 Ų60.135%0.3531%0.314SS..Hα-helixtrans-123.3-35.2-173.1-178.80000113.8S130 E135 L136 S137 E290S130-S133 PolarHBondContact O-N 3.33Å; S133-E135 PolarHBondContact O-N 3.32Å; S133-L136 WeakPolarHBondContact O-CB 3.09Å; S133-L136 PolarHBondContact O-N 3.17Å; S133-S137 PolarHBondContact O-N 2.85Å; S133-S137 PolarHBondContact O-OG 3.23Å; S133-E290 PolarHBondContact OG-OE1 3.47Å; S133-E290 VanDerWaalsContact OG-OE1 3.09Å
134D52.7Low64.8Low94 Ų9463.5 Ų63.550%0.50333%0.325SS..Hα-helixtrans-58.4-36.3168.3-66.10.4000109.9S130 L136 S137 W138S130-D134 VanDerWaalsContact CB-CG 3.47Å; S130-D134 WeakPolarHBondContact CB-OD2 3.44Å; S130-D134 WeakPolarHBondContact O-CB 3.49Å; S130-D134 PolarHBondContact O-N 2.93Å; S130-D134 PolarHBondContact OG-OD2 3.29Å; D134-L136 VanDerWaalsContact C-N 3.3Å; D134-L136 PolarHBondContact O-N 3.03Å; D134-S137 PolarHBondContact O-N 2.72Å; D134-W138 PolarHBondContact O-N 3.27Å
135E55.4Low64.3Low86 Ų8669 Ų6940%0.40235%0.348SS..Hα-helixtrans-65.1-27.7176.8-73.1-154.6149.800114.1S133 I139 Q317S133-E135 PolarHBondContact O-N 3.32Å; E135-I139 WeakPolarHBondContact O-CD1 3.23Å; E135-I139 WeakPolarHBondContact O-CG1 3.16Å; E135-Q317 PolarHBondContact OE1-NE2 3.16Å; E135-Q317 PolarHBondContact OE2-NE2 3.06Å
136L59.4Low63.1Low16 Ų1673 Ų738%0.08437%0.37CS..Hα-helixtrans-79.3-47172.4-70.6162.9000110.3S132 S133 D134 W138 I139 I140 E290 L292 L314S132-L136 WeakPolarHBondContact O-CD1 3.42Å; S133-L136 WeakPolarHBondContact O-CB 3.09Å; S133-L136 PolarHBondContact O-N 3.17Å; D134-L136 VanDerWaalsContact C-N 3.3Å; D134-L136 PolarHBondContact O-N 3.03Å; L136-W138 PolarHBondContact O-N 2.98Å; L136-I139 PolarHBondContact O-N 2.95Å; L136-I140 WeakPolarHBondContact O-CG1 3.32Å; L136-I140 PolarHBondContact O-N 3.28Å; L136-E290 WeakPolarHBondContact CB-OE1 3.34Å; L136-E290 VanDerWaalsContact CB-OE2 3.3Å; L136-E290 WeakPolarHBondContact CB-OE2 3.35Å; L136-E290 HydrophobicContact CD1-CG 4.38Å; L136-L292 HydrophobicContact CD2-CD1 4.05Å; L136-L314 HydrophobicContact CD2-CD1 3.48Å; L136-L314 VanDerWaalsContact CD2-CD1 3.48Å; L136-L314 HydrophobicContact CD2-CD2 3.56Å; L136-L314 HydrophobicContact CD2-CG 4.16Å; L136-L314 HydrophobicContact CG-CD2 4.47Å
137S62.8Low62Low48 Ų4867.4 Ų67.434%0.33636%0.361SS..Hα-helixtrans-59.1-47.4-177.7-700000112.6S133 D134 I139 I140 E141S133-S137 PolarHBondContact O-N 2.85Å; S133-S137 PolarHBondContact O-OG 3.23Å; D134-S137 PolarHBondContact O-N 2.72Å; S137-I139 VanDerWaalsContact C-N 3.31Å; S137-I139 PolarHBondContact O-N 3.24Å; S137-I140 PolarHBondContact O-N 3.49Å; S137-E141 WeakPolarHBondContact O-CG 3.35Å; S137-E141 PolarHBondContact O-N 3.06Å
138W63.4Low60.8Low129 Ų12970.6 Ų70.649%0.48938%0.375SS..Hα-helixtrans-66.9-30.9179.778.3-106.5000113.1D134 L136 L142D134-W138 PolarHBondContact O-N 3.27Å; L136-W138 PolarHBondContact O-N 2.98Å; W138-L142 HydrophobicContact CE3-CD2 4.26Å; W138-L142 HydrophobicContact CZ3-CD2 3.91Å; W138-L142 WeakPolarHBondContact O-CB 3.4Å; W138-L142 PolarHBondContact O-N 3.25Å
139I66.9Low59.7Low6 Ų671.2 Ų71.23%0.03139%0.389CS..Hα-helixtrans-69-38.9175.1-71.1176.1000110.4E135 L136 S137 L143 A310 Q313 L314E135-I139 WeakPolarHBondContact O-CD1 3.23Å; E135-I139 WeakPolarHBondContact O-CG1 3.16Å; L136-I139 PolarHBondContact O-N 2.95Å; S137-I139 VanDerWaalsContact C-N 3.31Å; S137-I139 PolarHBondContact O-N 3.24Å; I139-L143 HydrophobicContact CG2-CD1 3.97Å; I139-L143 WeakPolarHBondContact O-CB 3.27Å; I139-L143 WeakPolarHBondContact O-CD1 3.43Å; I139-L143 VanDerWaalsContact O-CG 3.28Å; I139-L143 WeakPolarHBondContact O-CG 3.46Å; I139-L143 PolarHBondContact O-N 2.85Å; I139-L143 VanDerWaalsContact O-N 3.11Å; I139-A310 HydrophobicContact CG2-CB 4.33Å; I139-Q313 HydrophobicContact CG2-CB 3.92Å; I139-L314 HydrophobicContact CD1-CD2 3.67Å; I139-L314 HydrophobicContact CD1-CG 4.12Å
140I70.3Confident58.5Low13 Ų1377.8 Ų77.87%0.06741%0.413CS..Hα-helixtrans-69.3-50.2177.1-70.4162.8000110.5L136 S137 L142 L143 E144 E290 L292 R307L136-I140 WeakPolarHBondContact O-CG1 3.32Å; L136-I140 PolarHBondContact O-N 3.28Å; S137-I140 PolarHBondContact O-N 3.49Å; I140-L142 VanDerWaalsContact C-N 3.32Å; I140-L142 PolarHBondContact O-N 2.86Å; I140-L143 PolarHBondContact O-N 2.92Å; I140-E144 HydrophobicContact CG2-CG 4.49Å; I140-E144 WeakPolarHBondContact O-CG 3.32Å; I140-E144 PolarHBondContact O-N 3.47Å; I140-E290 HydrophobicContact CD1-CB 3.89Å; I140-E290 WeakPolarHBondContact CD1-OE2 3.41Å; I140-L292 HydrophobicContact CD1-CD2 4.29Å; I140-R307 VanDerWaalsContact CG2-CZ 3.46Å
141E71.7Confident57.7Low137 Ų13783.4 Ų83.464%0.6444%0.436SS*.Hα-helixtrans-57.4-43.1176.4-73.9-171.6167.400112.2S137 E144 K145S137-E141 WeakPolarHBondContact O-CG 3.35Å; S137-E141 PolarHBondContact O-N 3.06Å; E141-E144 PolarHBondContact O-N 2.68Å; E141-K145 WeakPolarHBondContact O-CB 3.1Å; E141-K145 PolarHBondContact O-N 3.36Å
142L68.9Low56.6Low78 Ų7888.4 Ų88.441%0.40845%0.452SS..Hα-helixtrans-62.2-43.5177.2179.761.7000111.6W138 I140 K145 D146W138-L142 HydrophobicContact CE3-CD2 4.26Å; W138-L142 HydrophobicContact CZ3-CD2 3.91Å; W138-L142 WeakPolarHBondContact O-CB 3.4Å; W138-L142 PolarHBondContact O-N 3.25Å; I140-L142 VanDerWaalsContact C-N 3.32Å; I140-L142 PolarHBondContact O-N 2.86Å; L142-K145 PolarHBondContact O-N 3.39Å; L142-D146 WeakPolarHBondContact O-CB 3.43Å; L142-D146 PolarHBondContact O-N 3.21Å
143L64.5Low56.3Low50 Ų5090.4 Ų90.426%0.26247%0.471SS..Hα-helixtrans-74.7-26.7-180-72.7170.4000113.6I139 I140 G147 E309 A310 Q313I139-L143 HydrophobicContact CG2-CD1 3.97Å; I139-L143 WeakPolarHBondContact O-CB 3.27Å; I139-L143 WeakPolarHBondContact O-CD1 3.43Å; I139-L143 VanDerWaalsContact O-CG 3.28Å; I139-L143 WeakPolarHBondContact O-CG 3.46Å; I139-L143 PolarHBondContact O-N 2.85Å; I139-L143 VanDerWaalsContact O-N 3.11Å; I140-L143 PolarHBondContact O-N 2.92Å; L143-G147 WeakPolarHBondContact O-CA 3.47Å; L143-G147 PolarHBondContact O-N 2.99Å; L143-E309 HydrophobicContact CD1-CB 4.26Å; L143-E309 HydrophobicContact CD2-CB 4.25Å; L143-A310 HydrophobicContact CD1-CB 3.69Å; L143-Q313 HydrophobicContact CD1-CG 4.32Å
144E72.1Confident56.1Low99 Ų9995.6 Ų95.646%0.46349%0.494SS..Hα-helixtrans-75-38.2171.8-71.4-177.9169.500111I140 E141 G147 M148 R307I140-E144 HydrophobicContact CG2-CG 4.49Å; I140-E144 WeakPolarHBondContact O-CG 3.32Å; I140-E144 PolarHBondContact O-N 3.47Å; E141-E144 PolarHBondContact O-N 2.68Å; E144-G147 PolarHBondContact O-N 2.84Å; E144-M148 WeakPolarHBondContact O-CG 3.46Å; E144-M148 PolarHBondContact O-N 3.33Å; E144-R307 IonicContact OE1-CZ 3.29Å; E144-R307 IonicContact OE1-NE 2.79Å; E144-R307 PolarHBondContact OE1-NE 3.48Å; E144-R307 IonicContact OE1-NH2 2.84Å; E144-R307 PolarHBondContact OE1-NH2 2.74Å
145K68.4Low55.1Low160 Ų16097.3 Ų97.370%0.69650%0.503SS*.Hα-helixtrans-64.8-46.3172.8-174.3176.8-176.7175.80112.9E141 L142 G147E141-K145 WeakPolarHBondContact O-CB 3.1Å; E141-K145 PolarHBondContact O-N 3.36Å; L142-K145 PolarHBondContact O-N 3.39Å; K145-G147 VanDerWaalsContact C-N 3.31Å
146D54.1Low54.8Low93 Ų9398.8 Ų98.850%0.49752%0.52SS..Hα-helixtrans-70.6-29174.9-73-8.8000111.7L142 A149L142-D146 WeakPolarHBondContact O-CB 3.43Å; L142-D146 PolarHBondContact O-N 3.21Å; D146-A149 PolarHBondContact O-N 3.36Å
147G51.7Low53.6Low38 Ų38101.1 Ų101.139%0.39255%0.548SS..Hα-helixtrans-66-38.5178.600000113.8L143 E144 K145 A149 F150 Q151L143-G147 WeakPolarHBondContact O-CA 3.47Å; L143-G147 PolarHBondContact O-N 2.99Å; E144-G147 PolarHBondContact O-N 2.84Å; K145-G147 VanDerWaalsContact C-N 3.31Å; G147-A149 PolarHBondContact O-N 2.66Å; G147-F150 PolarHBondContact O-N 3.45Å; G147-F150 VanDerWaalsContact O-N 3.13Å; G147-Q151 PolarHBondContact O-N 2.91Å
148M48.3Very low53.3Low139 Ų139104.1 Ų104.169%0.68557%0.566SS**Hα-helixtrans-58-37.7176.4-69.5-64-178.800112.2E144 F150 Q151 E152E144-M148 WeakPolarHBondContact O-CG 3.46Å; E144-M148 PolarHBondContact O-N 3.33Å; M148-F150 PolarHBondContact O-N 3.03Å; M148-F150 VanDerWaalsContact O-N 3.13Å; M148-Q151 PolarHBondContact O-N 2.83Å; M148-E152 PolarHBondContact O-N 2.81Å
149A45.5Very low51.9Low74 Ų74107.7 Ų107.761%0.61259%0.586SS**Hα-helixtrans-65.6-14.5179.800000114.5D146 G147D146-A149 PolarHBondContact O-N 3.36Å; G147-A149 PolarHBondContact O-N 2.66Å
150F39.8Very low50.4Low188 Ų188114 Ų11483%0.82562%0.62SS**Hα-helixtrans-100.3-14.3172.9-96.2-84.8000113.9G147 M148G147-F150 PolarHBondContact O-N 3.45Å; G147-F150 VanDerWaalsContact O-N 3.13Å; M148-F150 PolarHBondContact O-N 3.03Å; M148-F150 VanDerWaalsContact O-N 3.13Å
151Q40.3Very low49.1Very low150 Ų150122.6 Ų122.670%0.70166%0.66SS**Hα-helixtrans-82.5-33.8177.6-157.372.381.600111.3G147 M148 A153G147-Q151 PolarHBondContact O-N 2.91Å; M148-Q151 PolarHBondContact O-N 2.83Å; Q151-A153 PolarHBondContact O-N 2.89Å; Q151-A153 VanDerWaalsContact O-N 3.16Å
152E35Very low47.1Very low173 Ų173120.1 Ų120.181%0.80867%0.67SS**THydrogen-bonded Turntrans-74.21.6-176-151.8171-149.400114.4M148M148-E152 PolarHBondContact O-N 2.81Å
153A41.2Very low45.5Very low78 Ų78122 Ų12265%0.64569%0.691SS**THydrogen-bonded Turntrans-89.52178.400000114.5Q151Q151-A153 PolarHBondContact O-N 2.89Å; Q151-A153 VanDerWaalsContact O-N 3.16Å
154L45.1Very low45Very low159 Ų159124.9 Ų124.983%0.83271%0.712SS**  trans-141.464-177.5-71.4176.7000112.4
155D33.1Very low42.8Very low129 Ų129129.1 Ų129.169%0.6973%0.729SS**  trans-110.2125.2169.1-171.747.7000111.8G157D155-G157 PolarHBondContact O-N 3.34Å
156P47.3Very low41.2Very low117 Ų117125.9 Ų125.976%0.7673%0.732SS**  trans-80.389.8171.832.2-32.9000110.7
157G35.4Very low40.2Very low66 Ų66128.3 Ų128.368%0.6874%0.741SS**  trans-53.4135.7-170.700000116.4D155D155-G157 PolarHBondContact O-N 3.34Å
158P57Low39.3Very low110 Ų110133 Ų13371%0.71475%0.753SS**  trans-99.7127.9-177.435.7-32.7000114.6
159F33.3Very low38.8Very low204 Ų204132.6 Ų132.690%0.89575%0.753SS**  trans-160.3142.2166.4-102.7-93.3000107.9
160D35Very low38.4Very low139 Ų139136 Ų13674%0.74376%0.759SS**  cis-160.2167.3-25.2-161.3-12.8000107.2
161Q43.1Very low38.1Very low194 Ų194133.8 Ų133.891%0.90776%0.756SS**  trans-97.8129.2-177-70.3-168.62.300114
162G30.7Very low37.6Very low84 Ų84132 Ų13287%0.86675%0.752SS**  trans-152.9119.5172.600000113.1
163S34.9Very low37.3Very low119 Ų119128 Ų12883%0.83274%0.743SS**  trans-109172.6173.2-141.90000109.1
164P53.3Low36.9Very low110 Ų110132.9 Ų132.971%0.71475%0.752SS**  cis-141.7-175.75.142.9-23.9000116.9
165F27.1Very low36.4Very low187 Ų187134.6 Ų134.682%0.8276%0.756SS**  trans79.499.6143.8-146-80.7000121.9
166A33.4Very low36.2Very low92 Ų92133.6 Ų133.676%0.7677%0.765SS**  trans170.5105.5143.900000106.8
167Q33.9Very low35.6Very low145 Ų145133.3 Ų133.368%0.67877%0.766SS**  63.6104.765.5-166.8-174.8-3400114
168E31.9Very low36.5Very low137 Ų137134.8 Ų134.864%0.6476%0.764SS**  -177.6150.2118.7-91.7-63.495.900111
169L38.2Very low35.2Very low130 Ų130140.8 Ų140.868%0.68177%0.774SS**  trans-7.2150.6154.3-86.664.8000119.6
170L36.8Very low35.4Very low144 Ų144140 Ų14075%0.75477%0.773SS**  cis-152152.418.1-95.6137.6000108.7
171D34.3Very low36Very low142 Ų142139.5 Ų139.576%0.75978%0.777SS**  62130.184.6-141.161.5000114
172D29Very low35.4Very low113 Ų113134 Ų13460%0.60477%0.773SS**  cis-140.6169.24.8-176.5-137.3000112.3
173S30Very low35.6Very low89 Ų89136 Ų13662%0.62277%0.773SS**  trans-31.1167.5155.2-40.10000116.1
174Q32.1Very low35.4Very low181 Ų181135.9 Ų135.985%0.84677%0.771SS**  cis-146.2165.231.7-66.2-179.5-1.500114.1
175Q35.1Very low34.4Very low195 Ų195134.1 Ų134.191%0.91177%0.773SS**  trans-84.2152.5174.5-56.3164.9-4200112.2
176A28Very low34.7Very low107 Ų107130.6 Ų130.688%0.88478%0.778SS**  trans-155.9135.4150.600000112.4
177S35.2Very low34.6Very low112 Ų112130.2 Ų130.278%0.78378%0.783SS**  trans-173.3162.3178.6-169.90000108.5
178P53.3Low35Very low97 Ų97127.9 Ų127.963%0.6379%0.789SS**  cis-130.2148.4-47.435.5-22000112.7
179Y30.1Very low36Very low235 Ų235127.3 Ų127.392%0.92280%0.797SS**  trans-146.7148.2166.1-75.2-70.5000114.4
180H38.1Very low36.1Very low187 Ų187126.1 Ų126.187%0.86680%0.8SS**  trans-92.5-174.6176-69.9-75.8000111.2
181P47.9Very low37.1Very low130 Ų130125.4 Ų125.484%0.84480%0.804SS**  cis-134.8-177.9142.7-25.5000116
182G30.7Very low37Very low79 Ų79122 Ų12281%0.81480%0.803SS**  trans-172.8137.9167.400000114.9
183S33.6Very low37.5Very low124 Ų124122.5 Ų122.587%0.86781%0.814SS**  trans-98.7172.7168.9-144.10000109.1
184C32.3Very low37.9Very low117 Ų117123 Ų12379%0.79182%0.818SS**  cis-167170.21949.90000111.1
185G30.7Very low38.4Very low73 Ų73122 Ų12275%0.75382%0.819SS**  trans94.7127.3167.500000114
186A34.5Very low38.5Very low113 Ų113119.7 Ų119.793%0.93482%0.818SS**  cis92.4116.339.200000113.5
187G31.9Very low39.3Very low84 Ų84119.5 Ų119.587%0.86681%0.81SS**  trans145.496.6172.600000115.8
188A40.6Very low39.4Very low97 Ų97120.4 Ų120.480%0.80281%0.81SS**  trans-101.9175.1153.300000107.6
189P54.5Low38.6Very low124 Ų124120.6 Ų120.681%0.80582%0.82SS**  cis-141.6-161.41544.5-24.2000115.3
190S40Very low38.8Very low106 Ų106112.7 Ų112.774%0.74181%0.81SS**  trans-64.2160.3175-31.10000115.2
191P56.9Low38.7Very low129 Ų129110.9 Ų110.984%0.83881%0.813SS**  trans-87158.5149.335.9-31.3000111.9
192G32.5Very low38.1Very low71 Ų71108.4 Ų108.473%0.73281%0.811SS**  trans-136.5-144.1169.500000110.6
193S38.8Very low38.3Very low122 Ų122109.2 Ų109.285%0.85381%0.81SS**  trans77.7142.9-180-138.40000114.3
194S38.9Very low38.5Very low101 Ų101108.5 Ų108.571%0.70681%0.805SS**  cis-171.5158.7-17.538.60000110.8
195D42.1Very low38.6Very low160 Ų160114 Ų11486%0.85681%0.809SS**  trans-68.2155.4171.6-46.5-101.8000114.2
196V38.8Very low38.8Very low146 Ų146114.9 Ų114.989%0.88580%0.803SS**  trans-168.3145136.464.10000111.7
197S44.3Very low38.8Very low102 Ų102114.6 Ų114.671%0.71380%0.795SS**  trans-85.9175.4-176.6-45.90000114.5
198T36Very low38.9Very low131 Ų131119.5 Ų119.580%0.80480%0.795SS**  163.3129.7112.7-69.20000116.7
199A37.7Very low38.8Very low101 Ų101119.3 Ų119.384%0.83579%0.787SS**  trans65.2158.6151.800000123.8
200G34.5Very low38.3Very low69 Ų69119 Ų11971%0.71179%0.788SS**  trans126.359.2170.600000115.3
201T36.7Very low38Very low150 Ų150121.2 Ų121.292%0.9279%0.792SS**  57.1109.189.2-50.80000115.3
202G34.7Very low37.5Very low78 Ų78119.6 Ų119.680%0.80478%0.783SS**  trans175.3146.5170.300000112.1
203A35Very low37.9Very low95 Ų95119.9 Ų119.979%0.78579%0.786SS**  trans-138.3146.1-170.100000114.7
204S36.3Very low37.8Very low110 Ų110118 Ų11877%0.76979%0.786SS**  trans49.6122149.4-540000120.7
205R35.6Very low38.2Very low232 Ų232118.3 Ų118.388%0.87579%0.788SS**  164.2122.9110.6-86.7171.684.8-1686.5115.3
206S34Very low38.2Very low91 Ų91116.8 Ų116.864%0.63678%0.78SS**  trans27122140.6620000123.9
207S35Very low38.6Very low108 Ų108116.4 Ų116.476%0.75578%0.778SS**  79.1156.4129.6-56.10000121.8
208H33.9Very low38.4Very low186 Ų186118.7 Ų118.786%0.86178%0.782SS**  trans59.1152172.385.7-39.6000117.9
209S37.9Very low38.8Very low93 Ų93120.6 Ų120.665%0.6579%0.787SS**  cis-151.6150.212.457.70000115.5
210S44.1Very low39Very low117 Ų117123.1 Ų123.182%0.81879%0.786SS**  trans47.7123.4138.2-51.90000124
211D33.4Very low39.8Very low154 Ų154125 Ų12582%0.82479%0.786SS**  -150.6178.2104.8-154.438.8000107.6
212S46.8Very low39.9Very low94 Ų94125 Ų12566%0.65779%0.785SS**  cis-148.1177.410.1-52.40000111.7
213G41.3Very low40.2Very low77 Ų77129.2 Ų129.279%0.79479%0.79SS**  trans-73.9175.3165.800000113.8
214G37.1Very low40.2Very low82 Ų82127.8 Ų127.885%0.84578%0.784SS**  cis117.5142.513.400000110.3
215S47.4Very low40.2Very low108 Ų108131.3 Ų131.376%0.75579%0.786SS**  cis-131.2-134.12.938.10000109.7
216D42.4Very low40Very low128 Ų128126.5 Ų126.568%0.68478%0.777SS**  cis-164177.8-1.1-140-54.8000111.9
217V46Very low39.9Very low138 Ų138130.6 Ų130.684%0.83678%0.784SS**  trans61.1138.5167-58.20000122.1
218D40.8Very low40.7Very low151 Ų151130.3 Ų130.381%0.80778%0.779SS**  trans-144.7141.4178.3-172.26.3000109
219L45.2Very low40.8Very low171 Ų171131.9 Ų131.990%0.89578%0.777SS**  trans-155.8140.5175.3-80.2-174.2000112.5
220D40Very low40.7Very low154 Ų154132.9 Ų132.982%0.82478%0.775SS**  trans-95149.5-173.5-168.952.8000113.1
221P51.3Low40.2Very low109 Ų109129.8 Ų129.871%0.70876%0.762SS**  trans-104.7143.1-175.737.2-29.2000114.9
222T40.3Very low40.1Very low148 Ų148131.9 Ų131.991%0.90876%0.764SS**  trans-92.4166.1-178.739.40000115.7
223D39.5Very low40.3Very low168 Ų168132.5 Ų132.590%0.89877%0.766SS**  trans-83.7164.7-169.3-169.74.1000114.6
224G36.9Very low40.1Very low65 Ų65135.1 Ų135.167%0.6776%0.762SS**  trans152.879.3163.200000121.7
225K35.6Very low39.8Very low184 Ų184136.1 Ų136.180%0.876%0.755SS**  trans46.9117139.4-71-177.5175.1175.40124.4
226L31.6Very low39.3Very low131 Ų131139.1 Ų139.169%0.68675%0.754SS**  66.2177.7128.4-52.3-175.6000118
227F31.3Very low39Very low177 Ų177143.3 Ų143.378%0.77677%0.766SS**  cis-171.3177.5-28.5-106.1-7000109.2
228P51.7Low38.4Very low102 Ų102140.5 Ų140.566%0.66277%0.766SS**  cis-137.1173.2-3239.1-22.4000115.6
229R36.2Very low38.1Very low218 Ų218140.8 Ų140.882%0.82377%0.767SS**  trans62.7144.6155.2-87.2-176.2156.5-121.25.5119.3
230D35.8Very low38.3Very low114 Ų114137 Ų13761%0.6175%0.752SS**  cis-136.1176.33.4-105.4-56.4000109.6
231G34Very low38.3Very low52 Ų52138.5 Ų138.554%0.53675%0.752SS.*  cis-165-141.49.300000113
232F30.5Very low37.6Very low198 Ų198142.5 Ų142.587%0.86876%0.761SS**  trans-155.3171.2-160.8-88.3-80.3000112.9
233P51.3Low37.6Very low107 Ų107138.7 Ų138.770%0.69575%0.751SS**  cis-136167.6-7.835.2-16.2000117.1
234D37.1Very low38Very low132 Ų132141.3 Ų141.371%0.70675%0.754SS**  trans55.1148.8148.6-105.3-105.8000121.2
235C31.6Very low38.6Very low103 Ų103149.5 Ų149.570%0.69677%0.765SS**  cis-171.2149.547.3-106.70000109.2
236K36.3Very low39Very low172 Ų172150.7 Ų150.775%0.74877%0.77SS**  cis-153.3147.9-21.5-57.9-171.7-177.4178.50110
237K37Very low39.8Very low215 Ų215156.7 Ų156.794%0.93578%0.784SS**  trans45.8109.7140.7-165.5174.9-173.9177.30121.4
238G32Very low40.7Very low80 Ų80152.4 Ų152.483%0.82579%0.789SS**  trans-176107.8160.300000113.6
239D34.9Very low40.7Very low156 Ų156158.6 Ų158.683%0.83480%0.799SS**  trans-143.3168-169.2-129.4-23.8000108.3
240P50.1Low41.3Very low91 Ų91153.8 Ų153.859%0.59180%0.796SS**  cis-144.8-172.8-0.435.6-11.7000117.4
241K38.6Very low42Very low186 Ų186159.8 Ų159.881%0.80981%0.81SS**  trans79.2116156.6-55.5175-171.3177.30119.9
242H37.4Very low42.4Very low194 Ų194167.1 Ų167.190%0.89883%0.827SS**  -143.6146.6125.9-114.555.7000111.4
243G41.1Very low43Very low68 Ų68164.7 Ų164.770%0.70182%0.823SS**  trans-82.8153.7-162.800000116.3R245G243-R245 PolarHBondContact O-N 2.75Å
244K47.1Very low42.5Very low222 Ų222162.7 Ų162.797%0.96581%0.811SS**  trans-57.7131.2171.7-64.2-175.8179.9-179.10110.5
245R48.9Very low42.8Very low238 Ų238164.6 Ų164.690%0.89881%0.813SS**  trans-113.3148.1170.7-78.5-178.7165.5155.4-2.3110.7G243G243-R245 PolarHBondContact O-N 2.75Å
246K45.2Very low43Very low209 Ų209165.9 Ų165.991%0.90981%0.809SS**  trans-69.1157.1-173.6-63.8-172.7176.1-173.20112.4
247R47Very low43Very low257 Ų257165.8 Ų165.897%0.9781%0.805SS**SBendtrans-59.5152.5169.7-65.7179.6175.2-177.7-1.6110.2
248G52Low42.9Very low86 Ų86164.4 Ų164.489%0.88779%0.794SS**  trans131.3-3.816500000118.5
249R50.3Low43.2Very low232 Ų232165.9 Ų165.988%0.87578%0.783SS**SBendtrans-122.1135.5175.5-164.4174-172170.44.6111R251R249-R251 PolarHBondContact O-N 3.23Å
250P49.5Very low43.2Very low118 Ų118164.1 Ų164.177%0.76678%0.782SS**PPolyproline II helixtrans-54.4139.1174-26.735.1000111.5K252P250-K252 PolarHBondContact O-N 2.73Å
251R50.5Low42.8Very low240 Ų240166.5 Ų166.591%0.90679%0.789SS**PPolyproline II helixtrans-65.2129.9174.8-64.5-174.4-177.6-167.22.4108.4R249 L253R249-R251 PolarHBondContact O-N 3.23Å; R251-L253 PolarHBondContact O-N 3.07Å
252K43.1Very low42.7Very low206 Ų206162.6 Ų162.690%0.89677%0.773SS**PPolyproline II helixtrans-62.2117152.1-82.7-169.4171.2-172.70106P250 S254P250-K252 PolarHBondContact O-N 2.73Å; K252-S254 PolarHBondContact O-N 2.92Å
253L41.5Very low42.5Very low147 Ų147156.9 Ų156.977%0.7777%0.767SS**PPolyproline II helixtrans-55.9133158.2-79.6161.9000107R251R251-L253 PolarHBondContact O-N 3.07Å
254S40.8Very low42.4Very low64 Ų64163.4 Ų163.445%0.44878%0.776SS.*PPolyproline II helixtrans-73.7163.6-179.963.20000110.1K252 E256K252-S254 PolarHBondContact O-N 2.92Å; S254-E256 VanDerWaalsContact CB-OE1 3.32Å; S254-E256 WeakPolarHBondContact CB-OE1 3.32Å; S254-E256 WeakPolarHBondContact CB-OE2 3.2Å; S254-E256 PolarHBondContact O-N 3.4Å; S254-E256 PolarHBondContact OG-OE2 3.33Å
255K44.3Very low41.8Very low172 Ų172159.8 Ų159.875%0.74876%0.76SS**G310 helixtrans-69-27.5-168.1-169.7177.9174.3-170.30111.5Y257 W258K255-Y257 VanDerWaalsContact C-N 3.27Å; K255-Y257 PolarHBondContact O-N 2.96Å; K255-W258 PolarHBondContact O-N 3.13Å
256E36.6Very low41.1Very low130 Ų130152.6 Ų152.661%0.60775%0.746SS**G310 helixtrans-63.6-18.7-173.5-46.683.3-101.700115.1S254 W258S254-E256 VanDerWaalsContact CB-OE1 3.32Å; S254-E256 WeakPolarHBondContact CB-OE1 3.32Å; S254-E256 WeakPolarHBondContact CB-OE2 3.2Å; S254-E256 PolarHBondContact O-N 3.4Å; S254-E256 PolarHBondContact OG-OE2 3.33Å; E256-W258 VanDerWaalsContact C-N 3.32Å; E256-W258 PolarHBondContact O-N 2.92Å
257Y34.6Very low41Very low170 Ų170152.2 Ų152.267%0.66774%0.744SS**G310 helixtrans-75-19.2-179.2-168.2-105.2000113.8K255K255-Y257 VanDerWaalsContact C-N 3.27Å; K255-Y257 PolarHBondContact O-N 2.96Å
258W35.6Very low40.6Very low187 Ų187147.8 Ų147.871%0.70873%0.734SS**SBendtrans-82.3-25.6179.9-76.2105000113.9K255 E256 C260K255-W258 PolarHBondContact O-N 3.13Å; E256-W258 VanDerWaalsContact C-N 3.32Å; E256-W258 PolarHBondContact O-N 2.92Å; W258-C260 PolarHBondContact O-N 2.82Å
259D37.6Very low40Very low111 Ų111147.5 Ų147.559%0.59472%0.724SS**THydrogen-bonded Turntrans-73.5-9.7-173.5-65.8-28.3000113.6
260C35.6Very low39.9Very low119 Ų119141.2 Ų141.280%0.80471%0.713SS**THydrogen-bonded Turntrans-88.9-8.9-178.2-152.30000114.4W258W258-C260 PolarHBondContact O-N 2.82Å
261L41.5Very low39.7Very low141 Ų141147.2 Ų147.274%0.73872%0.72SS**SBendtrans-107.3-4.3175.9-72.9172.3000113.6G263L261-G263 PolarHBondContact O-N 2.69Å
262E37Very low40Very low103 Ų103138.8 Ų138.848%0.48171%0.708SS.*  trans-81.461.6178.5-62.7-152.4137.900112.8K264 K265E262-K264 PolarHBondContact O-N 3.22Å; E262-K265 VanDerWaalsContact CD-CE 3.43Å; E262-K265 WeakPolarHBondContact OE1-CE 3.41Å; E262-K265 IonicContact OE1-NZ 2.76Å; E262-K265 PolarHBondContact OE1-NZ 3.35Å; E262-K265 VanDerWaalsContact OE2-CE 3.22Å; E262-K265 WeakPolarHBondContact OE2-CE 3.45Å; E262-K265 IonicContact OE2-NZ 3.76Å; E262-K265 PolarHBondContact OE2-NZ 3.31Å
263G33.2Very low41.8Very low74 Ų74130.6 Ų130.676%0.76368%0.675SS**THydrogen-bonded Turntrans-58102.9175.300000112.7L261L261-G263 PolarHBondContact O-N 2.69Å
264K37.9Very low44.2Very low205 Ų205127.6 Ų127.689%0.89166%0.657SS**THydrogen-bonded Turntrans50.371.1168.3-63.7179.5178.9176.60114.8E262 S266E262-K264 PolarHBondContact O-N 3.22Å; K264-S266 PolarHBondContact O-N 3.37Å; K264-S266 VanDerWaalsContact O-N 3.09Å
265K36.1Very low46.8Very low147 Ų147124.6 Ų124.664%0.63964%0.636SS**  trans-55.4114159.8-78.9175.6171.9163.90110.5E262 K267E262-K265 VanDerWaalsContact CD-CE 3.43Å; E262-K265 WeakPolarHBondContact OE1-CE 3.41Å; E262-K265 IonicContact OE1-NZ 2.76Å; E262-K265 PolarHBondContact OE1-NZ 3.35Å; E262-K265 VanDerWaalsContact OE2-CE 3.22Å; E262-K265 WeakPolarHBondContact OE2-CE 3.45Å; E262-K265 IonicContact OE2-NZ 3.76Å; E262-K265 PolarHBondContact OE2-NZ 3.31Å; K265-K267 PolarHBondContact O-N 2.81Å
266S34.1Very low49.2Very low86 Ų86117.5 Ų117.560%0.60161%0.605SS**  trans-56.4136.6160.9173.70000109K264 H268 A269K264-S266 PolarHBondContact O-N 3.37Å; K264-S266 VanDerWaalsContact O-N 3.09Å; S266-H268 PolarHBondContact O-N 2.88Å; S266-H268 VanDerWaalsContact O-N 3.14Å; S266-H268 PolarHBondContact OG-N 2.92Å; S266-A269 PolarHBondContact O-N 3.21Å
267K43.3Very low51.9Low201 Ų201113.1 Ų113.187%0.87458%0.584SS**THydrogen-bonded Turntrans-71.6-2.3-179.9-67.4-176.6178.5178.40113.4K265K265-K267 PolarHBondContact O-N 2.81Å
268H38.1Very low54.6Low164 Ų164106.1 Ų106.176%0.75956%0.557SS**THydrogen-bonded Turntrans-112.429.1179.1-61.3-89.9000113.4S266 P270S266-H268 PolarHBondContact O-N 2.88Å; S266-H268 VanDerWaalsContact O-N 3.14Å; S266-H268 PolarHBondContact OG-N 2.92Å; H268-P270 VanDerWaalsContact O-CD 3.28Å; H268-P270 WeakPolarHBondContact O-CD 3.19Å
269A38.8Very low57.4Low80 Ų8097.2 Ų97.266%0.66152%0.524SS*.SBendtrans-64.3118.5155.100000108S266 R271S266-A269 PolarHBondContact O-N 3.21Å; A269-R271 PolarHBondContact O-N 3.43Å
270P48Very low60.1Low100 Ų10094.2 Ų94.265%0.64950%0.504SS*.PPolyproline II helixtrans-57.4141.7-176.4-26.335.8000111.4H268 G272H268-P270 VanDerWaalsContact O-CD 3.28Å; H268-P270 WeakPolarHBondContact O-CD 3.19Å; P270-G272 WeakPolarHBondContact O-CA 3.33Å; P270-G272 PolarHBondContact O-N 3.31Å; P270-G272 VanDerWaalsContact O-N 3.1Å
271R46.3Very low62.6Low245 Ų24590.7 Ų90.793%0.92548%0.477SS*.SBendtrans-48121.3178.6-65.3179.3-176.4-118.34108.4A269 T273A269-R271 PolarHBondContact O-N 3.43Å; R271-T273 PolarHBondContact O-N 3.21Å
272G56.8Low64.9Low62 Ų6284.6 Ų84.664%0.63945%0.445SS*.  trans-50.696.3-149.300000115.5P270P270-G272 WeakPolarHBondContact O-CA 3.33Å; P270-G272 PolarHBondContact O-N 3.31Å; P270-G272 VanDerWaalsContact O-N 3.1Å
273T80.2Confident67.4Low35 Ų3580 Ų8022%0.21542%0.424CS..  trans-48136.6-175.935.10000113R271 W315 K319R271-T273 PolarHBondContact O-N 3.21Å; T273-W315 WeakPolarHBondContact O-CH2 3.49Å; T273-K319 VanDerWaalsContact O-CE 3.3Å; T273-K319 WeakPolarHBondContact O-CE 3.3Å; T273-K319 PolarHBondContact O-NZ 2.91Å; T273-K319 PolarHBondContact OG1-NZ 3.31Å
274H92Very high70Confident83 Ų8378.4 Ų78.438%0.38440%0.397SS..  trans-83.2162.1171.8-58.3108.5000111.4W276 E277 F278 W315H274-W276 VanDerWaalsContact C-N 3.33Å; H274-W276 VanDerWaalsContact CB-CD1 3.45Å; H274-W276 HydrophobicContact CB-CG 4.5Å; H274-W276 AromaticContact CG-NE1 3.95Å; H274-W276 AromaticContact ND1-NE1 3.93Å; H274-W276 PolarHBondContact O-N 2.85Å; H274-E277 IonicContact CE1-OE1 2.65Å; H274-E277 IonicContact CG-OE1 2.66Å; H274-E277 IonicContact CG-OE2 2.61Å; H274-E277 PolarHBondContact N-OE2 2.95Å; H274-E277 IonicContact ND1-OE1 2.86Å; H274-E277 PolarHBondContact ND1-OE1 3.09Å; H274-E277 IonicContact ND1-OE2 3.5Å; H274-E277 PolarHBondContact ND1-OE2 3.01Å; H274-E277 PolarHBondContact O-N 2.9Å; H274-F278 PolarHBondContact O-N 3.43Å; H274-F278 VanDerWaalsContact O-N 3.16Å; H274-W315 VanDerWaalsContact C-CH2 3.46Å
275L94.4Very high71.9Confident2 Ų272.1 Ų72.11%0.0137%0.371CS..Hα-helixtrans-66.6-35.9179.4172.265.2000111.9F278 I279 W315 L329 A332 M333 Y336L275-F278 HydrophobicContact CD1-CD1 4.22Å; L275-F278 PolarHBondContact O-N 3.03Å; L275-I279 HydrophobicContact CD1-CD1 3.75Å; L275-I279 HydrophobicContact CD1-CG1 4.1Å; L275-I279 HydrophobicContact CD2-CD1 4.49Å; L275-I279 HydrophobicContact CG-CD1 3.79Å; L275-I279 WeakPolarHBondContact O-CB 3.41Å; L275-I279 VanDerWaalsContact O-CG1 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.4Å; L275-I279 PolarHBondContact O-N 3.46Å; L275-W315 VanDerWaalsContact CA-CH2 3.5Å; L275-W315 HydrophobicContact CB-CH2 3.96Å; L275-W315 HydrophobicContact CB-CZ2 3.7Å; L275-W315 HydrophobicContact CD1-CB 4.49Å; L275-W315 HydrophobicContact CD1-CD2 3.67Å; L275-W315 HydrophobicContact CD1-CE3 4.13Å; L275-W315 HydrophobicContact CD1-CG 3.81Å; L275-W315 HydrophobicContact CD1-CZ2 4.34Å; L275-W315 VanDerWaalsContact N-CH2 3.33Å; L275-L329 HydrophobicContact CD1-CD1 3.89Å; L275-L329 HydrophobicContact CD1-CD2 4.31Å; L275-L329 HydrophobicContact CD1-CG 3.84Å; L275-L329 HydrophobicContact CD2-CD2 4.09Å; L275-L329 HydrophobicContact CD2-CG 3.86Å; L275-L329 HydrophobicContact CG-CG 4.49Å; L275-A332 HydrophobicContact CD2-CB 3.67Å; L275-M333 HydrophobicContact CD2-CG 4.09Å; L275-M333 HydrophobicContact CD2-SD 3.8Å; L275-M333 HydrophobicContact CG-SD 4.16Å; L275-Y336 HydrophobicContact CB-CE2 4.02Å; L275-Y336 HydrophobicContact CD2-CE2 4.33Å; L275-Y336 HydrophobicContact CG-CE2 4.38Å; L275-Y336 PolarHBondContact N-OH 3.16Å
276W95.1Very high73.4Confident23 Ų2369.8 Ų69.89%0.08737%0.371CS..Hα-helixtrans-68.8-35.8179.378.1-87000112.5H274 R280 Y336 I341 F354H274-W276 VanDerWaalsContact C-N 3.33Å; H274-W276 VanDerWaalsContact CB-CD1 3.45Å; H274-W276 HydrophobicContact CB-CG 4.5Å; H274-W276 AromaticContact CG-NE1 3.95Å; H274-W276 AromaticContact ND1-NE1 3.93Å; H274-W276 PolarHBondContact O-N 2.85Å; W276-R280 WeakPolarHBondContact O-CB 3.49Å; W276-R280 PolarHBondContact O-N 3.42Å; W276-Y336 HydrophobicContact CB-CD2 4.32Å; W276-Y336 HydrophobicContact CB-CE2 3.94Å; W276-Y336 AromaticContact CD1-CZ 3.96Å; W276-I341 HydrophobicContact CB-CG2 3.7Å; W276-I341 HydrophobicContact CD2-CG2 3.83Å; W276-I341 HydrophobicContact CE3-CG2 4.44Å; W276-I341 HydrophobicContact CG-CG2 3.47Å; W276-I341 VanDerWaalsContact CG-CG2 3.47Å; W276-F354 HydrophobicContact CE3-CE1 4.28Å
277E93.4Very high74.7Confident38 Ų3869.9 Ų69.918%0.17836%0.362CS..Hα-helixtrans-61.5-57.4171-75.2140.6-147.600109.4H274 I279 R280 D281H274-E277 IonicContact CE1-OE1 2.65Å; H274-E277 IonicContact CG-OE1 2.66Å; H274-E277 IonicContact CG-OE2 2.61Å; H274-E277 PolarHBondContact N-OE2 2.95Å; H274-E277 IonicContact ND1-OE1 2.86Å; H274-E277 PolarHBondContact ND1-OE1 3.09Å; H274-E277 IonicContact ND1-OE2 3.5Å; H274-E277 PolarHBondContact ND1-OE2 3.01Å; H274-E277 PolarHBondContact O-N 2.9Å; E277-I279 VanDerWaalsContact C-N 3.26Å; E277-I279 PolarHBondContact O-N 3.04Å; E277-I279 VanDerWaalsContact O-N 3.15Å; E277-R280 CarbonylContact O-C 3.54Å; E277-R280 WeakPolarHBondContact O-CA 3.36Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 2.91Å; E277-D281 WeakPolarHBondContact O-CB 3.29Å; E277-D281 PolarHBondContact O-N 3.48Å; E277-D281 VanDerWaalsContact O-OD1 3.06Å
278F92.3Very high75.5Confident23 Ų2363.1 Ų63.110%0.10134%0.335CS..Hα-helixtrans-53.2-39.3178.3168.7-100.3000114.1H274 L275 D281 I282 V311 L314 W315 K318H274-F278 PolarHBondContact O-N 3.43Å; H274-F278 VanDerWaalsContact O-N 3.16Å; L275-F278 HydrophobicContact CD1-CD1 4.22Å; L275-F278 PolarHBondContact O-N 3.03Å; F278-D281 PolarHBondContact O-N 3.42Å; F278-I282 HydrophobicContact CD1-CD1 4.27Å; F278-I282 HydrophobicContact CD2-CD1 4.38Å; F278-I282 HydrophobicContact CE1-CD1 3.73Å; F278-I282 HydrophobicContact CE2-CD1 3.86Å; F278-I282 HydrophobicContact CZ-CD1 3.52Å; F278-I282 WeakPolarHBondContact O-CG1 3.36Å; F278-I282 PolarHBondContact O-N 3.49Å; F278-V311 HydrophobicContact CE1-CG1 4.01Å; F278-L314 HydrophobicContact CZ-CB 3.9Å; F278-W315 HydrophobicContact CB-CE3 3.85Å; F278-W315 HydrophobicContact CB-CZ3 3.65Å; F278-W315 HydrophobicContact CD1-CB 4.25Å; F278-W315 HydrophobicContact CD1-CD2 4.24Å; F278-W315 AromaticContact CD1-CE3 3.53Å; F278-W315 HydrophobicContact CD1-CE3 3.53Å; F278-W315 HydrophobicContact CD1-CZ3 4.22Å; F278-W315 HydrophobicContact CD2-CE3 4.17Å; F278-W315 HydrophobicContact CE1-CB 3.69Å; F278-W315 HydrophobicContact CE1-CE3 4.06Å; F278-W315 HydrophobicContact CE1-CG 4.44Å; F278-W315 AromaticContact CG-CE3 3.58Å; F278-W315 HydrophobicContact CG-CE3 3.58Å; F278-W315 AromaticContact CG-CZ3 3.92Å; F278-W315 HydrophobicContact CG-CZ3 3.92Å; F278-W315 HydrophobicContact CZ-CB 4.17Å; F278-K318 HydrophobicContact CD2-CG 4.49Å
279I94.3Very high77.1Confident0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-69.4-42.9176.6-73.3168.1000111.8L275 E277 D281 L283 M293 F303 F305 L329 M333 F354L275-I279 HydrophobicContact CD1-CD1 3.75Å; L275-I279 HydrophobicContact CD1-CG1 4.1Å; L275-I279 HydrophobicContact CD2-CD1 4.49Å; L275-I279 HydrophobicContact CG-CD1 3.79Å; L275-I279 WeakPolarHBondContact O-CB 3.41Å; L275-I279 VanDerWaalsContact O-CG1 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.4Å; L275-I279 PolarHBondContact O-N 3.46Å; E277-I279 VanDerWaalsContact C-N 3.26Å; E277-I279 PolarHBondContact O-N 3.04Å; E277-I279 VanDerWaalsContact O-N 3.15Å; I279-D281 VanDerWaalsContact C-N 3.31Å; I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 WeakPolarHBondContact O-CD1 3.44Å; I279-L283 WeakPolarHBondContact O-CG 3.32Å; I279-L283 PolarHBondContact O-N 2.77Å; I279-M293 HydrophobicContact CB-CE 4.39Å; I279-M293 HydrophobicContact CG1-CE 4.42Å; I279-M293 HydrophobicContact CG2-CE 4.05Å; I279-M293 HydrophobicContact CG2-SD 4.05Å; I279-F303 HydrophobicContact CG2-CD2 4.27Å; I279-F303 HydrophobicContact CG2-CE2 3.49Å; I279-F303 VanDerWaalsContact CG2-CE2 3.49Å; I279-F303 HydrophobicContact CG2-CZ 3.66Å; I279-F305 HydrophobicContact CD1-CZ 3.88Å; I279-F305 HydrophobicContact CG1-CZ 4.45Å; I279-L329 HydrophobicContact CD1-CD2 4.49Å; I279-M333 HydrophobicContact CD1-CE 3.5Å; I279-M333 HydrophobicContact CD1-SD 3.4Å; I279-M333 WeakPolarHBondContact CD1-SD 3.31Å; I279-F354 HydrophobicContact CG2-CZ 4.15Å
280R92.9Very high78.8Confident47 Ų4755.6 Ų55.618%0.17729%0.287CS..Hα-helixtrans-58.8-46.1172.5166.5-162.473.4178.64.8110.4W276 E277 I282 L283 I284 F354 S359 G360 W361W276-R280 WeakPolarHBondContact O-CB 3.49Å; W276-R280 PolarHBondContact O-N 3.42Å; E277-R280 CarbonylContact O-C 3.54Å; E277-R280 WeakPolarHBondContact O-CA 3.36Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 2.91Å; R280-I282 PolarHBondContact O-N 3.22Å; R280-L283 CarbonylContact O-C 3.49Å; R280-L283 WeakPolarHBondContact O-CA 3.24Å; R280-L283 WeakPolarHBondContact O-CB 3.41Å; R280-L283 PolarHBondContact O-N 2.97Å; R280-I284 HydrophobicContact CG-CD1 4.45Å; R280-I284 HydrophobicContact CG-CG2 4.16Å; R280-I284 PolarHBondContact O-N 2.88Å; R280-F354 HydrophobicContact CB-CE1 4.21Å; R280-F354 HydrophobicContact CB-CZ 3.75Å; R280-S359 VanDerWaalsContact CD-O 3.26Å; R280-S359 WeakPolarHBondContact CD-O 3.46Å; R280-S359 PolarHBondContact NH1-O 2.82Å; R280-G360 WeakPolarHBondContact CD-O 3.46Å; R280-W361 HydrophobicContact CG-CB 3.99Å
281D89.4Confident80.4Confident46 Ų4652.6 Ų52.625%0.24628%0.275CS..Hα-helixtrans-60.8-45.4-173.8-57.5-16.8000109.9E277 F278 I279 L283 I284 H285E277-D281 WeakPolarHBondContact O-CB 3.29Å; E277-D281 PolarHBondContact O-N 3.48Å; E277-D281 VanDerWaalsContact O-OD1 3.06Å; F278-D281 PolarHBondContact O-N 3.42Å; I279-D281 VanDerWaalsContact C-N 3.31Å; D281-L283 VanDerWaalsContact C-N 3.27Å; D281-L283 PolarHBondContact O-N 2.98Å; D281-I284 WeakPolarHBondContact O-CG1 3.39Å; D281-I284 PolarHBondContact O-N 2.79Å; D281-H285 WeakPolarHBondContact O-CB 3.42Å; D281-H285 PolarHBondContact O-CD2 3.06Å; D281-H285 VanDerWaalsContact O-CD2 3.23Å; D281-H285 PolarHBondContact O-N 3.01Å; D281-H285 VanDerWaalsContact O-N 3.07Å
282I90.1Very high82.4Confident13 Ų1341 Ų417%0.06723%0.231CC..Hα-helixtrans-61.1-32.9171.4-65165.9000112.5F278 R280 N289 L292 M293 V311F278-I282 HydrophobicContact CD1-CD1 4.27Å; F278-I282 HydrophobicContact CD2-CD1 4.38Å; F278-I282 HydrophobicContact CE1-CD1 3.73Å; F278-I282 HydrophobicContact CE2-CD1 3.86Å; F278-I282 HydrophobicContact CZ-CD1 3.52Å; F278-I282 WeakPolarHBondContact O-CG1 3.36Å; F278-I282 PolarHBondContact O-N 3.49Å; R280-I282 PolarHBondContact O-N 3.22Å; I282-N289 HydrophobicContact CG2-CB 4.26Å; I282-L292 HydrophobicContact CG2-CB 4.5Å; I282-L292 HydrophobicContact CG2-CD1 4.33Å; I282-M293 HydrophobicContact CB-CE 3.63Å; I282-M293 HydrophobicContact CD1-CE 3.96Å; I282-M293 HydrophobicContact CG1-CE 4.4Å; I282-M293 HydrophobicContact CG2-CE 3.54Å; I282-V311 HydrophobicContact CD1-CG1 4.4Å
283L89.6Confident84Confident7 Ų738.1 Ų38.14%0.03720%0.201CC..Hα-helixtrans-82.3-19.8-178.4-75.4166.9000114.3I279 R280 D281 M293 W295 F303 F354I279-L283 HydrophobicContact CG2-CD1 3.9Å; I279-L283 WeakPolarHBondContact O-CD1 3.44Å; I279-L283 WeakPolarHBondContact O-CG 3.32Å; I279-L283 PolarHBondContact O-N 2.77Å; R280-L283 CarbonylContact O-C 3.49Å; R280-L283 WeakPolarHBondContact O-CA 3.24Å; R280-L283 WeakPolarHBondContact O-CB 3.41Å; R280-L283 PolarHBondContact O-N 2.97Å; D281-L283 VanDerWaalsContact C-N 3.27Å; D281-L283 PolarHBondContact O-N 2.98Å; L283-M293 HydrophobicContact CD2-CB 3.71Å; L283-M293 HydrophobicContact CG-CB 4.36Å; L283-M293 HydrophobicContact CG-CE 4.26Å; L283-W295 HydrophobicContact CB-CH2 4.28Å; L283-W295 HydrophobicContact CB-CZ2 3.54Å; L283-W295 HydrophobicContact CD1-CH2 4.24Å; L283-W295 HydrophobicContact CD1-CZ2 4.26Å; L283-W295 HydrophobicContact CG-CZ2 4.39Å; L283-W295 PolarHBondContact O-NE1 3.49Å; L283-F303 HydrophobicContact CD1-CB 3.65Å; L283-F303 HydrophobicContact CD1-CD1 3.97Å; L283-F303 HydrophobicContact CD1-CD2 3.62Å; L283-F303 HydrophobicContact CD1-CE2 4.19Å; L283-F303 HydrophobicContact CD1-CG 3.48Å; L283-F303 VanDerWaalsContact CD1-CG 3.48Å; L283-F303 HydrophobicContact CD2-CB 4.11Å; L283-F354 HydrophobicContact CD1-CE2 3.93Å; L283-F354 HydrophobicContact CD1-CZ 4.4Å
284I86.9Confident84.6Confident40 Ų4040.1 Ų40.121%0.20521%0.207CC..Hα-helixtrans-95.2-23.6174.967.3-179.3000112.8R280 D281 P286 V366R280-I284 HydrophobicContact CG-CD1 4.45Å; R280-I284 HydrophobicContact CG-CG2 4.16Å; R280-I284 PolarHBondContact O-N 2.88Å; D281-I284 WeakPolarHBondContact O-CG1 3.39Å; D281-I284 PolarHBondContact O-N 2.79Å; I284-P286 WeakPolarHBondContact O-CD 3.49Å; I284-V366 HydrophobicContact CG2-CG2 4.29Å
285H77.8Confident84.7Confident73 Ų7338.4 Ų38.434%0.33820%0.197SC..  trans-99.486175.1-70.9-75.5000110.8D281 E287 L288D281-H285 WeakPolarHBondContact O-CB 3.42Å; D281-H285 PolarHBondContact O-CD2 3.06Å; D281-H285 VanDerWaalsContact O-CD2 3.23Å; D281-H285 PolarHBondContact O-N 3.01Å; D281-H285 VanDerWaalsContact O-N 3.07Å; H285-E287 VanDerWaalsContact CA-OE2 3.27Å; H285-E287 WeakPolarHBondContact CA-OE2 3.32Å; H285-E287 IonicContact CE1-OE1 2.81Å; H285-E287 IonicContact CG-OE1 2.9Å; H285-E287 IonicContact ND1-OE1 2.87Å; H285-E287 PolarHBondContact ND1-OE1 3.12Å; H285-E287 PolarHBondContact O-N 2.68Å; H285-L288 HydrophobicContact CB-CB 4.12Å; H285-L288 HydrophobicContact CB-CD1 3.94Å; H285-L288 HydrophobicContact CB-CG 4Å; H285-L288 PolarHBondContact O-N 2.92Å
286P68.5Low84.6Confident98 Ų9842 Ų4264%0.63621%0.214SC*.G310 helixtrans-57.6-27.2177.426-36.2000113.3I284 L288 N289I284-P286 WeakPolarHBondContact O-CD 3.49Å; P286-L288 VanDerWaalsContact C-N 3.26Å; P286-L288 PolarHBondContact O-N 3.49Å; P286-N289 PolarHBondContact O-N 3.26Å; P286-N289 VanDerWaalsContact O-N 3.11Å
287E59.9Low84.5Confident88 Ų8843.4 Ų43.441%0.41122%0.223SC..G310 helixtrans-66.1-22.2174.570.1-81.3-162.400113.9H285H285-E287 VanDerWaalsContact CA-OE2 3.27Å; H285-E287 WeakPolarHBondContact CA-OE2 3.32Å; H285-E287 IonicContact CE1-OE1 2.81Å; H285-E287 IonicContact CG-OE1 2.9Å; H285-E287 IonicContact ND1-OE1 2.87Å; H285-E287 PolarHBondContact ND1-OE1 3.12Å; H285-E287 PolarHBondContact O-N 2.68Å
288L60.8Low84.3Confident58 Ų5844.2 Ų44.230%0.30422%0.224SC..G310 helixtrans-98.96.5173-59.9180000112.5H285 P286H285-L288 HydrophobicContact CB-CB 4.12Å; H285-L288 HydrophobicContact CB-CD1 3.94Å; H285-L288 HydrophobicContact CB-CG 4Å; H285-L288 PolarHBondContact O-N 2.92Å; P286-L288 VanDerWaalsContact C-N 3.26Å; P286-L288 PolarHBondContact O-N 3.49Å
289N71.4Confident84.2Confident36 Ų3649.9 Ų49.919%0.19325%0.251CS..  trans-115.770.1-169.6-169.611.7000111.6I282 P286 G291 L292 M293I282-N289 HydrophobicContact CG2-CB 4.26Å; P286-N289 PolarHBondContact O-N 3.26Å; P286-N289 VanDerWaalsContact O-N 3.11Å; N289-G291 PolarHBondContact O-N 3.2Å; N289-L292 PolarHBondContact OD1-N 3.15Å; N289-L292 VanDerWaalsContact OD1-N 3.15Å; N289-M293 PolarHBondContact ND2-O 3.37Å; N289-M293 PolarHBondContact OD1-N 3.48Å; N289-M293 VanDerWaalsContact OD1-N 3.09Å; N289-M293 PolarHBondContact OD1-O 3.01Å; N289-M293 VanDerWaalsContact OD1-O 3.08Å
290E74.6Confident84.2Confident50 Ų5055 Ų5523%0.23428%0.275CS..SBendtrans-68.360.9175.7-62.2179-170.600111.9S133 L136 I140 L292 R307S133-E290 PolarHBondContact OG-OE1 3.47Å; S133-E290 VanDerWaalsContact OG-OE1 3.09Å; L136-E290 WeakPolarHBondContact CB-OE1 3.34Å; L136-E290 VanDerWaalsContact CB-OE2 3.3Å; L136-E290 WeakPolarHBondContact CB-OE2 3.35Å; L136-E290 HydrophobicContact CD1-CG 4.38Å; I140-E290 HydrophobicContact CD1-CB 3.89Å; I140-E290 WeakPolarHBondContact CD1-OE2 3.41Å; E290-L292 PolarHBondContact O-N 2.76Å; E290-R307 PolarHBondContact O-NH1 3.16Å
291G82.7Confident84.2Confident37 Ų3752.8 Ų52.838%0.38127%0.266SS..SBendtrans60.726.1-175.900000113.9N289 L306N289-G291 PolarHBondContact O-N 3.2Å; G291-L306 VanDerWaalsContact O-CB 3.27Å; G291-L306 WeakPolarHBondContact O-CB 3.34Å
292L87Confident84.5Confident1 Ų151.2 Ų51.21%0.00526%0.258CS..SBendtrans-75.9-48-176.2-67.9178.2000111.9L136 I140 I282 N289 E290 L306 R307 A310 V311 L314L136-L292 HydrophobicContact CD2-CD1 4.05Å; I140-L292 HydrophobicContact CD1-CD2 4.29Å; I282-L292 HydrophobicContact CG2-CB 4.5Å; I282-L292 HydrophobicContact CG2-CD1 4.33Å; N289-L292 PolarHBondContact OD1-N 3.15Å; N289-L292 VanDerWaalsContact OD1-N 3.15Å; E290-L292 PolarHBondContact O-N 2.76Å; L292-L306 PolarHBondContact O-N 3.02Å; L292-R307 HydrophobicContact CD2-CB 4.25Å; L292-R307 PolarHBondContact O-N 3.15Å; L292-R307 VanDerWaalsContact O-N 3.1Å; L292-A310 HydrophobicContact CD2-CB 3.67Å; L292-V311 HydrophobicContact CB-CG2 3.85Å; L292-V311 HydrophobicContact CD2-CG2 4.36Å; L292-V311 HydrophobicContact CG-CG2 4.5Å; L292-L314 HydrophobicContact CD1-CD1 3.6Å; L292-L314 HydrophobicContact CD2-CD1 4.27Å
293M91.6Very high84.8Confident2 Ų250.6 Ų50.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-144.4163.5-179.4-57.8-171.4-80.200110I279 I282 L283 N289 K304 F305 V311I279-M293 HydrophobicContact CB-CE 4.39Å; I279-M293 HydrophobicContact CG1-CE 4.42Å; I279-M293 HydrophobicContact CG2-CE 4.05Å; I279-M293 HydrophobicContact CG2-SD 4.05Å; I282-M293 HydrophobicContact CB-CE 3.63Å; I282-M293 HydrophobicContact CD1-CE 3.96Å; I282-M293 HydrophobicContact CG1-CE 4.4Å; I282-M293 HydrophobicContact CG2-CE 3.54Å; L283-M293 HydrophobicContact CD2-CB 3.71Å; L283-M293 HydrophobicContact CG-CB 4.36Å; L283-M293 HydrophobicContact CG-CE 4.26Å; N289-M293 PolarHBondContact ND2-O 3.37Å; N289-M293 PolarHBondContact OD1-N 3.48Å; N289-M293 VanDerWaalsContact OD1-N 3.09Å; N289-M293 PolarHBondContact OD1-O 3.01Å; N289-M293 VanDerWaalsContact OD1-O 3.08Å; M293-K304 CarbonylContact C-O 3.49Å; M293-K304 VanDerWaalsContact CA-O 3.27Å; M293-K304 WeakPolarHBondContact CA-O 3.15Å; M293-F305 HydrophobicContact CG-CD1 3.98Å; M293-F305 HydrophobicContact CG-CE1 4.48Å; M293-F305 HydrophobicContact CG-CG 4.24Å; M293-F305 HydrophobicContact SD-CD1 3.71Å; M293-F305 HydrophobicContact SD-CD2 4.42Å; M293-F305 HydrophobicContact SD-CE1 3.62Å; M293-F305 HydrophobicContact SD-CE2 4.32Å; M293-F305 HydrophobicContact SD-CG 4.14Å; M293-F305 HydrophobicContact SD-CZ 3.94Å; M293-V311 HydrophobicContact CE-CG1 4.07Å; M293-V311 HydrophobicContact CE-CG2 4.33Å; M293-V311 HydrophobicContact CG-CG2 3.84Å; M293-V311 HydrophobicContact SD-CG1 4.18Å; M293-V311 HydrophobicContact SD-CG2 4.18Å
294K91.3Very high85.1Confident77 Ų7753.5 Ų53.534%0.33527%0.268SS..EExtended strand (participates in β ladder)trans-143.8157.6171.871.2179.3-166.889.30112.2E296 F303 K304 L306K294-E296 WeakPolarHBondContact CE-OE1 3.37Å; K294-E296 IonicContact NZ-OE1 3.42Å; K294-E296 PolarHBondContact NZ-OE1 2.78Å; K294-E296 IonicContact NZ-OE2 2.7Å; K294-E296 PolarHBondContact NZ-OE2 3.32Å; K294-F303 CarbonylContact O-C 3.59Å; K294-F303 VanDerWaalsContact O-CA 3.24Å; K294-F303 WeakPolarHBondContact O-CA 3.28Å; K294-F303 WeakPolarHBondContact O-CB 3.49Å; K294-K304 PolarHBondContact N-O 3.48Å; K294-K304 PolarHBondContact O-N 3Å; K294-L306 HydrophobicContact CB-CD1 4.25Å; K294-L306 HydrophobicContact CD-CD1 4.24Å; K294-L306 HydrophobicContact CD-CD2 4.13Å; K294-L306 HydrophobicContact CG-CD1 4.26Å; K294-L306 HydrophobicContact CG-CD2 4.28Å; K294-L306 HydrophobicContact CG-CG 4.39Å
295W94.1Very high85.5Confident47 Ų4751.7 Ų51.718%0.17826%0.258CS..EExtended strand (participates in β ladder)trans-68.7137.4161.5-61.4102.7000109.9L283 R298 F303 F354 W361L283-W295 HydrophobicContact CB-CH2 4.28Å; L283-W295 HydrophobicContact CB-CZ2 3.54Å; L283-W295 HydrophobicContact CD1-CH2 4.24Å; L283-W295 HydrophobicContact CD1-CZ2 4.26Å; L283-W295 HydrophobicContact CG-CZ2 4.39Å; L283-W295 PolarHBondContact O-NE1 3.49Å; W295-R298 HydrophobicContact CB-CB 4.44Å; W295-R298 HydrophobicContact CD2-CB 4.48Å; W295-R298 VanDerWaalsContact CD2-CD 3.45Å; W295-R298 HydrophobicContact CG-CB 4.31Å; W295-F303 HydrophobicContact CE3-CB 3.98Å; W295-F303 HydrophobicContact CZ3-CB 4.18Å; W295-F303 HydrophobicContact CZ3-CD1 4.34Å; W295-F354 AromaticContact CH2-CD2 3.78Å; W295-F354 HydrophobicContact CH2-CD2 3.78Å; W295-F354 AromaticContact CH2-CE2 3.66Å; W295-F354 HydrophobicContact CH2-CE2 3.66Å; W295-F354 AromaticContact CZ3-CD2 3.9Å; W295-F354 HydrophobicContact CZ3-CD2 3.9Å; W295-F354 HydrophobicContact CZ3-CE2 4.07Å; W295-W361 HydrophobicContact CH2-CB 4.15Å
296E93.3Very high86.2Confident79 Ų7952 Ų5237%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-98.6-32.8162.3-64.6-70.3176.400109.9K294 V302 K304K294-E296 WeakPolarHBondContact CE-OE1 3.37Å; K294-E296 IonicContact NZ-OE1 3.42Å; K294-E296 PolarHBondContact NZ-OE1 2.78Å; K294-E296 IonicContact NZ-OE2 2.7Å; K294-E296 PolarHBondContact NZ-OE2 3.32Å; E296-V302 HydrophobicContact CB-CG1 4.13Å; E296-V302 PolarHBondContact N-O 3.19Å; E296-K304 HydrophobicContact CG-CB 3.8Å; E296-K304 WeakPolarHBondContact OE1-CD 3.23Å
297N92.3Very high87.3Confident52 Ų5251.4 Ų51.428%0.27825%0.247SC..EExtended strand (participates in β ladder)trans-148114.2166.4-175.9-15.8000108.9H299 E300 G301 V302N297-H299 PolarHBondContact OD1-N 2.88Å; N297-E300 HydrophobicContact CB-CB 4.16Å; N297-E300 WeakPolarHBondContact ND2-CG 3.02Å; N297-E300 PolarHBondContact ND2-OE2 2.96Å; N297-E300 PolarHBondContact OD1-N 3.22Å; N297-G301 PolarHBondContact O-N 2.83Å; N297-V302 HydrophobicContact CB-CB 4.19Å; N297-V302 HydrophobicContact CB-CG2 4.45Å; N297-V302 PolarHBondContact N-O 2.9Å; N297-V302 PolarHBondContact O-N 2.88Å
298R90.4Very high89Confident55 Ų5548.4 Ų48.421%0.20824%0.236CC..THydrogen-bonded Turntrans-70.4-43-176.9-178.558.8-176-933112.3W295 E300 G301 W361 E363W295-R298 HydrophobicContact CB-CB 4.44Å; W295-R298 HydrophobicContact CD2-CB 4.48Å; W295-R298 VanDerWaalsContact CD2-CD 3.45Å; W295-R298 HydrophobicContact CG-CB 4.31Å; R298-E300 PolarHBondContact O-N 3.19Å; R298-G301 PolarHBondContact O-N 3.15Å; R298-G301 VanDerWaalsContact O-N 3.15Å; R298-W361 VanDerWaalsContact CZ-O 3.31Å; R298-W361 PolarHBondContact NE-O 2.87Å; R298-W361 PolarHBondContact NH2-O 2.93Å; R298-E363 HydrophobicContact CG-CG 3.94Å; R298-E363 WeakPolarHBondContact CG-OE1 3.22Å
299H90Very high90.5Very high142 Ų14249.1 Ų49.166%0.65724%0.237SC*.THydrogen-bonded Turntrans-67.3-37.3-177.7-46.8-53.1000112.2N297 G301 E363N297-H299 PolarHBondContact OD1-N 2.88Å; H299-G301 VanDerWaalsContact C-N 3.31Å; H299-E363 IonicContact CE1-OE1 2.7Å; H299-E363 IonicContact CE1-OE2 2.75Å; H299-E363 PolarHBondContact CE1-OE2 2.89Å; H299-E363 IonicContact ND1-OE1 3.77Å; H299-E363 IonicContact ND1-OE2 2.99Å; H299-E363 PolarHBondContact ND1-OE2 3.49Å
300E93Very high91.4Very high108 Ų10847.5 Ų47.551%0.50523%0.229SC..THydrogen-bonded Turntrans-80.8-7.1174.2-72.1-178148.200114N297 R298 V302 K353N297-E300 HydrophobicContact CB-CB 4.16Å; N297-E300 WeakPolarHBondContact ND2-CG 3.02Å; N297-E300 PolarHBondContact ND2-OE2 2.96Å; N297-E300 PolarHBondContact OD1-N 3.22Å; R298-E300 PolarHBondContact O-N 3.19Å; E300-V302 VanDerWaalsContact C-N 3.33Å; E300-V302 HydrophobicContact CB-CG2 3.82Å; E300-V302 PolarHBondContact O-N 2.81Å; E300-K353 WeakPolarHBondContact O-CE 3.42Å; E300-K353 WeakPolarHBondContact O-CG 3.26Å
301G94.1Very high92.3Very high0 Ų045.1 Ų45.10%022%0.218CC..THydrogen-bonded Turntrans7124.4-176.700000114.1N297 R298 H299 K353 F354 W361N297-G301 PolarHBondContact O-N 2.83Å; R298-G301 PolarHBondContact O-N 3.15Å; R298-G301 VanDerWaalsContact O-N 3.15Å; H299-G301 VanDerWaalsContact C-N 3.31Å; G301-K353 CarbonylContact O-C 3.31Å; G301-K353 WeakPolarHBondContact O-CA 3.3Å; G301-F354 PolarHBondContact O-N 3.04Å; G301-W361 VanDerWaalsContact N-CZ3 3.32Å
302V96.2Very high92.9Very high12 Ų1243.4 Ų43.47%0.07320%0.2CC..EExtended strand (participates in β ladder)trans-90.8123.4-179.5-173.40000110E296 N297 E300 V351 Y352 K353E296-V302 HydrophobicContact CB-CG1 4.13Å; E296-V302 PolarHBondContact N-O 3.19Å; N297-V302 HydrophobicContact CB-CB 4.19Å; N297-V302 HydrophobicContact CB-CG2 4.45Å; N297-V302 PolarHBondContact N-O 2.9Å; N297-V302 PolarHBondContact O-N 2.88Å; E300-V302 VanDerWaalsContact C-N 3.33Å; E300-V302 HydrophobicContact CB-CG2 3.82Å; E300-V302 PolarHBondContact O-N 2.81Å; V302-V351 HydrophobicContact CG1-CG1 3.64Å; V302-Y352 WeakPolarHBondContact CA-O 3.17Å; V302-K353 HydrophobicContact CG2-CB 4.14Å; V302-K353 HydrophobicContact CG2-CD 4.04Å; V302-K353 HydrophobicContact CG2-CG 3.83Å
303F95.9Very high93Very high0 Ų046 Ų460%021%0.212CC..EExtended strand (participates in β ladder)trans-133.2162.4-177.865.6-87.6000112.2I279 L283 K294 W295 F305 M333 L342 V351 Y352 F354I279-F303 HydrophobicContact CG2-CD2 4.27Å; I279-F303 HydrophobicContact CG2-CE2 3.49Å; I279-F303 VanDerWaalsContact CG2-CE2 3.49Å; I279-F303 HydrophobicContact CG2-CZ 3.66Å; L283-F303 HydrophobicContact CD1-CB 3.65Å; L283-F303 HydrophobicContact CD1-CD1 3.97Å; L283-F303 HydrophobicContact CD1-CD2 3.62Å; L283-F303 HydrophobicContact CD1-CE2 4.19Å; L283-F303 HydrophobicContact CD1-CG 3.48Å; L283-F303 VanDerWaalsContact CD1-CG 3.48Å; L283-F303 HydrophobicContact CD2-CB 4.11Å; K294-F303 CarbonylContact O-C 3.59Å; K294-F303 VanDerWaalsContact O-CA 3.24Å; K294-F303 WeakPolarHBondContact O-CA 3.28Å; K294-F303 WeakPolarHBondContact O-CB 3.49Å; W295-F303 HydrophobicContact CE3-CB 3.98Å; W295-F303 HydrophobicContact CZ3-CB 4.18Å; W295-F303 HydrophobicContact CZ3-CD1 4.34Å; F303-F305 HydrophobicContact CE2-CD2 4.48Å; F303-F305 AromaticContact CE2-CE2 3.89Å; F303-F305 HydrophobicContact CE2-CE2 3.89Å; F303-M333 HydrophobicContact CE2-CE 4.31Å; F303-M333 HydrophobicContact CZ-CE 4.02Å; F303-L342 HydrophobicContact CE1-CD2 4.25Å; F303-L342 HydrophobicContact CZ-CD2 4.3Å; F303-V351 WeakPolarHBondContact O-CA 3.16Å; F303-Y352 HydrophobicContact CE2-CD2 4.43Å; F303-Y352 HydrophobicContact CE2-CG 4.43Å; F303-Y352 VanDerWaalsContact CZ-CB 3.49Å; F303-Y352 HydrophobicContact CZ-CG 4.38Å; F303-Y352 PolarHBondContact N-O 3.48Å; F303-Y352 PolarHBondContact O-N 3.47Å; F303-Y352 VanDerWaalsContact O-O 3.09Å; F303-F354 AromaticContact CD1-CD2 3.66Å; F303-F354 HydrophobicContact CD1-CD2 3.66Å; F303-F354 AromaticContact CD1-CE2 3.52Å; F303-F354 HydrophobicContact CD1-CE2 3.52Å; F303-F354 HydrophobicContact CD1-CZ 4.33Å; F303-F354 HydrophobicContact CE1-CD1 4.44Å; F303-F354 AromaticContact CE1-CD2 3.55Å; F303-F354 HydrophobicContact CE1-CD2 3.55Å; F303-F354 HydrophobicContact CE1-CE1 4.29Å; F303-F354 AromaticContact CE1-CE2 3.35Å; F303-F354 HydrophobicContact CE1-CE2 3.35Å; F303-F354 HydrophobicContact CE1-CG 4.1Å; F303-F354 AromaticContact CE1-CZ 3.76Å; F303-F354 HydrophobicContact CE1-CZ 3.76Å; F303-F354 HydrophobicContact CG-CE2 4.44Å; F303-F354 HydrophobicContact CZ-CE2 4.17Å; F303-F354 HydrophobicContact CZ-CZ 4.18Å
304K95.2Very high93Very high69 Ų6946.8 Ų46.830%0.322%0.216SC..EExtended strand (participates in β ladder)trans-134.5135.9-177.8-175.8178.4177.1-172.50111.2M293 K294 E296 L350 V351M293-K304 CarbonylContact C-O 3.49Å; M293-K304 VanDerWaalsContact CA-O 3.27Å; M293-K304 WeakPolarHBondContact CA-O 3.15Å; K294-K304 PolarHBondContact N-O 3.48Å; K294-K304 PolarHBondContact O-N 3Å; E296-K304 HydrophobicContact CG-CB 3.8Å; E296-K304 WeakPolarHBondContact OE1-CD 3.23Å; K304-L350 WeakPolarHBondContact CA-O 3.32Å; K304-L350 HydrophobicContact CG-CB 4.46Å; K304-V351 HydrophobicContact CB-CG2 4.05Å; K304-V351 HydrophobicContact CD-CG2 4Å; K304-V351 HydrophobicContact CG-CG2 3.86Å
305F95.4Very high93Very high1 Ų144.3 Ų44.30%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-75133.5166.8-67.2-108.8000110.2I279 M293 F303 V311 Y326 L329 M333 L350 Y352I279-F305 HydrophobicContact CD1-CZ 3.88Å; I279-F305 HydrophobicContact CG1-CZ 4.45Å; M293-F305 HydrophobicContact CG-CD1 3.98Å; M293-F305 HydrophobicContact CG-CE1 4.48Å; M293-F305 HydrophobicContact CG-CG 4.24Å; M293-F305 HydrophobicContact SD-CD1 3.71Å; M293-F305 HydrophobicContact SD-CD2 4.42Å; M293-F305 HydrophobicContact SD-CE1 3.62Å; M293-F305 HydrophobicContact SD-CE2 4.32Å; M293-F305 HydrophobicContact SD-CG 4.14Å; M293-F305 HydrophobicContact SD-CZ 3.94Å; F303-F305 HydrophobicContact CE2-CD2 4.48Å; F303-F305 AromaticContact CE2-CE2 3.89Å; F303-F305 HydrophobicContact CE2-CE2 3.89Å; F305-V311 HydrophobicContact CD1-CB 4.05Å; F305-V311 HydrophobicContact CD1-CG1 4.28Å; F305-V311 HydrophobicContact CD1-CG2 4.06Å; F305-V311 HydrophobicContact CE1-CB 3.93Å; F305-V311 HydrophobicContact CE1-CG1 3.71Å; F305-V311 HydrophobicContact CE1-CG2 4.32Å; F305-Y326 HydrophobicContact CD1-CE2 4.4Å; F305-Y326 HydrophobicContact CE1-CE2 4.43Å; F305-Y326 HydrophobicContact CG-CE2 4.44Å; F305-L329 HydrophobicContact CE1-CD2 4.21Å; F305-L329 HydrophobicContact CZ-CD2 3.98Å; F305-M333 HydrophobicContact CE2-CE 4.09Å; F305-M333 HydrophobicContact CZ-CE 4.18Å; F305-L350 HydrophobicContact CB-CB 4.23Å; F305-L350 PolarHBondContact N-O 3.1Å; F305-Y352 AromaticContact CD2-CD2 3.8Å; F305-Y352 HydrophobicContact CD2-CD2 3.8Å; F305-Y352 AromaticContact CD2-CE2 3.89Å; F305-Y352 HydrophobicContact CD2-CE2 3.89Å; F305-Y352 AromaticContact CE2-CD2 3.54Å; F305-Y352 HydrophobicContact CE2-CD2 3.54Å; F305-Y352 AromaticContact CE2-CE2 3.66Å; F305-Y352 HydrophobicContact CE2-CE2 3.66Å
306L92.9Very high92.9Very high79 Ų7942.1 Ų42.141%0.41420%0.197SC..SBendtrans-101.2-57.9173.9-59.8176.1000109.4G291 L292 K294G291-L306 VanDerWaalsContact O-CB 3.27Å; G291-L306 WeakPolarHBondContact O-CB 3.34Å; L292-L306 PolarHBondContact O-N 3.02Å; K294-L306 HydrophobicContact CB-CD1 4.25Å; K294-L306 HydrophobicContact CD-CD1 4.24Å; K294-L306 HydrophobicContact CD-CD2 4.13Å; K294-L306 HydrophobicContact CG-CD1 4.26Å; K294-L306 HydrophobicContact CG-CD2 4.28Å; K294-L306 HydrophobicContact CG-CG 4.39Å
307R91.9Very high92.6Very high86 Ų8641.5 Ų41.533%0.32519%0.194SC..SBendtrans-101.576.6173-67.9176.8167.3144.7-10.9110.2I140 E144 E290 L292 E309 A310 V311I140-R307 VanDerWaalsContact CG2-CZ 3.46Å; E144-R307 IonicContact OE1-CZ 3.29Å; E144-R307 IonicContact OE1-NE 2.79Å; E144-R307 PolarHBondContact OE1-NE 3.48Å; E144-R307 IonicContact OE1-NH2 2.84Å; E144-R307 PolarHBondContact OE1-NH2 2.74Å; E290-R307 PolarHBondContact O-NH1 3.16Å; L292-R307 HydrophobicContact CD2-CB 4.25Å; L292-R307 PolarHBondContact O-N 3.15Å; L292-R307 VanDerWaalsContact O-N 3.1Å; R307-E309 PolarHBondContact O-N 2.95Å; R307-A310 HydrophobicContact CB-CB 3.86Å; R307-A310 PolarHBondContact O-N 2.82Å; R307-V311 PolarHBondContact O-N 2.98Å
308S94.8Very high92.3Very high25 Ų2545.5 Ų45.518%0.17521%0.209CC..Hα-helixtrans-63.2-33.6-168.956.50000115.4A312S308-A312 PolarHBondContact O-N 2.97Å
309E93.1Very high92.1Very high73 Ų7346.6 Ų46.634%0.34122%0.215SC..Hα-helixtrans-77.7-32.2175.4-64.6-61.5163.100112.5L143 R307 V311 A312 Q313 Y326L143-E309 HydrophobicContact CD1-CB 4.26Å; L143-E309 HydrophobicContact CD2-CB 4.25Å; R307-E309 PolarHBondContact O-N 2.95Å; E309-V311 PolarHBondContact O-N 3.11Å; E309-A312 CarbonylContact O-C 3.56Å; E309-A312 WeakPolarHBondContact O-CA 3.2Å; E309-A312 WeakPolarHBondContact O-CB 3.45Å; E309-A312 PolarHBondContact O-N 3.23Å; E309-Q313 PolarHBondContact O-N 3.15Å; E309-Y326 VanDerWaalsContact CD-CB 3.47Å; E309-Y326 WeakPolarHBondContact OE1-CB 3.38Å; E309-Y326 WeakPolarHBondContact OE2-CB 3.45Å; E309-Y326 PolarHBondContact OE2-N 2.9Å
310A90.3Very high92Very high3 Ų349.5 Ų49.53%0.02523%0.226CC..Hα-helixtrans-62-45.7176.900000111.3I139 L143 L292 R307 A312 Q313 L314I139-A310 HydrophobicContact CG2-CB 4.33Å; L143-A310 HydrophobicContact CD1-CB 3.69Å; L292-A310 HydrophobicContact CD2-CB 3.67Å; R307-A310 HydrophobicContact CB-CB 3.86Å; R307-A310 PolarHBondContact O-N 2.82Å; A310-A312 PolarHBondContact O-N 3.14Å; A310-Q313 PolarHBondContact O-N 3.26Å; A310-L314 WeakPolarHBondContact O-CD1 3.47Å; A310-L314 VanDerWaalsContact O-CG 3.32Å; A310-L314 WeakPolarHBondContact O-CG 3.41Å; A310-L314 PolarHBondContact O-N 3.15Å
311V92.9Very high91.7Very high0 Ų047.3 Ų47.30%022%0.218CC..Hα-helixtrans-62.2-31.2173.4-1740000111.8F278 I282 L292 M293 F305 R307 E309 W315 L329F278-V311 HydrophobicContact CE1-CG1 4.01Å; I282-V311 HydrophobicContact CD1-CG1 4.4Å; L292-V311 HydrophobicContact CB-CG2 3.85Å; L292-V311 HydrophobicContact CD2-CG2 4.36Å; L292-V311 HydrophobicContact CG-CG2 4.5Å; M293-V311 HydrophobicContact CE-CG1 4.07Å; M293-V311 HydrophobicContact CE-CG2 4.33Å; M293-V311 HydrophobicContact CG-CG2 3.84Å; M293-V311 HydrophobicContact SD-CG1 4.18Å; M293-V311 HydrophobicContact SD-CG2 4.18Å; F305-V311 HydrophobicContact CD1-CB 4.05Å; F305-V311 HydrophobicContact CD1-CG1 4.28Å; F305-V311 HydrophobicContact CD1-CG2 4.06Å; F305-V311 HydrophobicContact CE1-CB 3.93Å; F305-V311 HydrophobicContact CE1-CG1 3.71Å; F305-V311 HydrophobicContact CE1-CG2 4.32Å; R307-V311 PolarHBondContact O-N 2.98Å; E309-V311 PolarHBondContact O-N 3.11Å; V311-W315 WeakPolarHBondContact O-CB 3.43Å; V311-W315 PolarHBondContact O-N 3.33Å; V311-L329 HydrophobicContact CG1-CD1 4.48Å
312A94.5Very high91.3Very high0 Ų052.2 Ų52.20%025%0.251CS..Hα-helixtrans-71.1-40.9174.500000112.7S308 E309 A310 W315 G316 M324 T325 L329S308-A312 PolarHBondContact O-N 2.97Å; E309-A312 CarbonylContact O-C 3.56Å; E309-A312 WeakPolarHBondContact O-CA 3.2Å; E309-A312 WeakPolarHBondContact O-CB 3.45Å; E309-A312 PolarHBondContact O-N 3.23Å; A310-A312 PolarHBondContact O-N 3.14Å; A312-W315 PolarHBondContact O-N 3.02Å; A312-G316 PolarHBondContact O-N 3.34Å; A312-M324 HydrophobicContact CB-CG 4.4Å; A312-M324 WeakPolarHBondContact O-CB 3.18Å; A312-M324 WeakPolarHBondContact O-CG 3.35Å; A312-T325 VanDerWaalsContact CB-C 3.44Å; A312-L329 HydrophobicContact CB-CB 4.38Å; A312-L329 HydrophobicContact CB-CD1 4.04Å
313Q90.9Very high91Very high56 Ų5657 Ų5726%0.26228%0.277SS..Hα-helixtrans-66.3-43.7175.1-65.3-56.3-12.400111.9I139 L143 E309 A310 W315 G316 Q317 M324I139-Q313 HydrophobicContact CG2-CB 3.92Å; L143-Q313 HydrophobicContact CD1-CG 4.32Å; E309-Q313 PolarHBondContact O-N 3.15Å; A310-Q313 PolarHBondContact O-N 3.26Å; Q313-W315 VanDerWaalsContact C-N 3.35Å; Q313-W315 PolarHBondContact O-N 2.8Å; Q313-G316 CarbonylContact O-C 3.58Å; Q313-G316 VanDerWaalsContact O-CA 3.3Å; Q313-G316 WeakPolarHBondContact O-CA 3.48Å; Q313-G316 PolarHBondContact O-N 3.3Å; Q313-Q317 PolarHBondContact O-N 3.23Å; Q313-M324 PolarHBondContact NE2-O 3.39Å
314L90Very high90.9Very high18 Ų1857.9 Ų57.99%0.09428%0.281CS..Hα-helixtrans-60.3-42.4175.2-69.5161.4000112L136 I139 F278 L292 A310 G316 Q317 K318L136-L314 HydrophobicContact CD2-CD1 3.48Å; L136-L314 VanDerWaalsContact CD2-CD1 3.48Å; L136-L314 HydrophobicContact CD2-CD2 3.56Å; L136-L314 HydrophobicContact CD2-CG 4.16Å; L136-L314 HydrophobicContact CG-CD2 4.47Å; I139-L314 HydrophobicContact CD1-CD2 3.67Å; I139-L314 HydrophobicContact CD1-CG 4.12Å; F278-L314 HydrophobicContact CZ-CB 3.9Å; L292-L314 HydrophobicContact CD1-CD1 3.6Å; L292-L314 HydrophobicContact CD2-CD1 4.27Å; A310-L314 WeakPolarHBondContact O-CD1 3.47Å; A310-L314 VanDerWaalsContact O-CG 3.32Å; A310-L314 WeakPolarHBondContact O-CG 3.41Å; A310-L314 PolarHBondContact O-N 3.15Å; L314-G316 VanDerWaalsContact C-N 3.32Å; L314-G316 PolarHBondContact O-N 3.32Å; L314-Q317 PolarHBondContact O-N 3.36Å; L314-K318 WeakPolarHBondContact O-CB 3.41Å; L314-K318 PolarHBondContact O-N 2.77Å
315W92Very high90.9Very high26 Ų2656.8 Ų56.810%0.09828%0.28CS..Hα-helixtrans-63.5-38.5171.6178.5-118.6000112.3T273 H274 L275 F278 V311 A312 Q313 K319 L329T273-W315 WeakPolarHBondContact O-CH2 3.49Å; H274-W315 VanDerWaalsContact C-CH2 3.46Å; L275-W315 VanDerWaalsContact CA-CH2 3.5Å; L275-W315 HydrophobicContact CB-CH2 3.96Å; L275-W315 HydrophobicContact CB-CZ2 3.7Å; L275-W315 HydrophobicContact CD1-CB 4.49Å; L275-W315 HydrophobicContact CD1-CD2 3.67Å; L275-W315 HydrophobicContact CD1-CE3 4.13Å; L275-W315 HydrophobicContact CD1-CG 3.81Å; L275-W315 HydrophobicContact CD1-CZ2 4.34Å; L275-W315 VanDerWaalsContact N-CH2 3.33Å; F278-W315 HydrophobicContact CB-CE3 3.85Å; F278-W315 HydrophobicContact CB-CZ3 3.65Å; F278-W315 HydrophobicContact CD1-CB 4.25Å; F278-W315 HydrophobicContact CD1-CD2 4.24Å; F278-W315 AromaticContact CD1-CE3 3.53Å; F278-W315 HydrophobicContact CD1-CE3 3.53Å; F278-W315 HydrophobicContact CD1-CZ3 4.22Å; F278-W315 HydrophobicContact CD2-CE3 4.17Å; F278-W315 HydrophobicContact CE1-CB 3.69Å; F278-W315 HydrophobicContact CE1-CE3 4.06Å; F278-W315 HydrophobicContact CE1-CG 4.44Å; F278-W315 AromaticContact CG-CE3 3.58Å; F278-W315 HydrophobicContact CG-CE3 3.58Å; F278-W315 AromaticContact CG-CZ3 3.92Å; F278-W315 HydrophobicContact CG-CZ3 3.92Å; F278-W315 HydrophobicContact CZ-CB 4.17Å; V311-W315 WeakPolarHBondContact O-CB 3.43Å; V311-W315 PolarHBondContact O-N 3.33Å; A312-W315 PolarHBondContact O-N 3.02Å; Q313-W315 VanDerWaalsContact C-N 3.35Å; Q313-W315 PolarHBondContact O-N 2.8Å; W315-K319 HydrophobicContact CD2-CG 4.26Å; W315-K319 HydrophobicContact CE3-CG 4.43Å; W315-K319 HydrophobicContact CH2-CD 4.25Å; W315-K319 HydrophobicContact CH2-CG 4.17Å; W315-K319 HydrophobicContact CZ2-CD 4.39Å; W315-K319 HydrophobicContact CZ2-CG 3.93Å; W315-K319 HydrophobicContact CZ3-CG 4.4Å; W315-K319 PolarHBondContact O-N 2.87Å; W315-K319 VanDerWaalsContact O-N 3.15Å; W315-L329 HydrophobicContact CB-CD1 4.04Å; W315-L329 HydrophobicContact CG-CD1 4.31Å
316G91.8Very high91Very high0 Ų057.8 Ų57.80%028%0.284CS..Hα-helixtrans-56.9-55172.300000111.8A312 Q313 L314 K318 K319 K320 N321 M324A312-G316 PolarHBondContact O-N 3.34Å; Q313-G316 CarbonylContact O-C 3.58Å; Q313-G316 VanDerWaalsContact O-CA 3.3Å; Q313-G316 WeakPolarHBondContact O-CA 3.48Å; Q313-G316 PolarHBondContact O-N 3.3Å; L314-G316 VanDerWaalsContact C-N 3.32Å; L314-G316 PolarHBondContact O-N 3.32Å; G316-K318 PolarHBondContact O-N 2.94Å; G316-K319 CarbonylContact O-C 3.23Å; G316-K319 VanDerWaalsContact O-C 3.23Å; G316-K319 WeakPolarHBondContact O-CA 3.4Å; G316-K319 PolarHBondContact O-N 2.79Å; G316-K320 PolarHBondContact O-N 3.04Å; G316-N321 CarbonylContact C-O 3.23Å; G316-N321 WeakPolarHBondContact CA-O 3.38Å; G316-N321 PolarHBondContact O-N 3.43Å; G316-M324 VanDerWaalsContact CA-CB 3.48Å
317Q87Confident91.1Very high67 Ų6759.6 Ų59.631%0.31329%0.29SS..Hα-helixtrans-57.3-48.1177.2-169.2-166.81.100111.9E135 Q313 L314 K319 K320E135-Q317 PolarHBondContact OE1-NE2 3.16Å; E135-Q317 PolarHBondContact OE2-NE2 3.06Å; Q313-Q317 PolarHBondContact O-N 3.23Å; L314-Q317 PolarHBondContact O-N 3.36Å; Q317-K319 PolarHBondContact O-N 3.27Å; Q317-K320 PolarHBondContact O-N 3.22Å
318K85.8Confident91.4Very high135 Ų13560.8 Ų60.859%0.58730%0.298SS*.Hα-helixtrans-57.7-23.1175.3-16073.2168.6-166.20113F278 L314 G316F278-K318 HydrophobicContact CD2-CG 4.49Å; L314-K318 WeakPolarHBondContact O-CB 3.41Å; L314-K318 PolarHBondContact O-N 2.77Å; G316-K318 PolarHBondContact O-N 2.94Å
319K87.4Confident91.5Very high78 Ų7859.6 Ų59.634%0.33929%0.29SS..THydrogen-bonded Turntrans-110.710.9175.1-60.9-55.1-178.2-166.20114.5T273 W315 G316 Q317 N321T273-K319 VanDerWaalsContact O-CE 3.3Å; T273-K319 WeakPolarHBondContact O-CE 3.3Å; T273-K319 PolarHBondContact O-NZ 2.91Å; T273-K319 PolarHBondContact OG1-NZ 3.31Å; W315-K319 HydrophobicContact CD2-CG 4.26Å; W315-K319 HydrophobicContact CE3-CG 4.43Å; W315-K319 HydrophobicContact CH2-CD 4.25Å; W315-K319 HydrophobicContact CH2-CG 4.17Å; W315-K319 HydrophobicContact CZ2-CD 4.39Å; W315-K319 HydrophobicContact CZ2-CG 3.93Å; W315-K319 HydrophobicContact CZ3-CG 4.4Å; W315-K319 PolarHBondContact O-N 2.87Å; W315-K319 VanDerWaalsContact O-N 3.15Å; G316-K319 CarbonylContact O-C 3.23Å; G316-K319 VanDerWaalsContact O-C 3.23Å; G316-K319 WeakPolarHBondContact O-CA 3.4Å; G316-K319 PolarHBondContact O-N 2.79Å; Q317-K319 PolarHBondContact O-N 3.27Å; K319-N321 VanDerWaalsContact C-N 3.27Å; K319-N321 PolarHBondContact O-N 2.7Å
320K86.6Confident91.7Very high204 Ų20456.3 Ų56.389%0.88728%0.275SS*.THydrogen-bonded Turntrans49.743.1-176.3-58.1-167.6176.2-167.20113.7G316 Q317G316-K320 PolarHBondContact O-N 3.04Å; Q317-K320 PolarHBondContact O-N 3.22Å
321N87.6Confident92Very high62 Ų6261.1 Ų61.133%0.33229%0.292SS..  trans-128.191.4-179.7-179.96.7000110.3G316 K319 N323 M324G316-N321 CarbonylContact C-O 3.23Å; G316-N321 WeakPolarHBondContact CA-O 3.38Å; G316-N321 PolarHBondContact O-N 3.43Å; K319-N321 VanDerWaalsContact C-N 3.27Å; K319-N321 PolarHBondContact O-N 2.7Å; N321-N323 PolarHBondContact O-N 3.2Å; N321-N323 PolarHBondContact OD1-N 2.93Å; N321-N323 VanDerWaalsContact OD1-N 3.12Å; N321-M324 PolarHBondContact O-N 2.94Å
322S84.8Confident92.1Very high102 Ų10262.8 Ų62.871%0.71331%0.306SS*.THydrogen-bonded Turntrans-65.6-11.5176.2510000114.4M324S322-M324 VanDerWaalsContact C-N 3.28Å; S322-M324 PolarHBondContact O-N 2.85Å
323N90.1Very high92.3Very high112 Ų11262.8 Ų62.860%0.59931%0.306SS*.THydrogen-bonded Turntrans-92.221.1175.4-71.1-64.4000112.2N321 K328N321-N323 PolarHBondContact O-N 3.2Å; N321-N323 PolarHBondContact OD1-N 2.93Å; N321-N323 VanDerWaalsContact OD1-N 3.12Å; N323-K328 VanDerWaalsContact O-CD 3.28Å; N323-K328 WeakPolarHBondContact O-CD 3.47Å; N323-K328 PolarHBondContact O-NZ 3.25Å
324M94Very high92.5Very high19 Ų1965.1 Ų65.19%0.09431%0.312CS..  trans-76.3143.3173.3-164.860.267.700110.6A312 Q313 G316 N321 S322 K328A312-M324 HydrophobicContact CB-CG 4.4Å; A312-M324 WeakPolarHBondContact O-CB 3.18Å; A312-M324 WeakPolarHBondContact O-CG 3.35Å; Q313-M324 PolarHBondContact NE2-O 3.39Å; G316-M324 VanDerWaalsContact CA-CB 3.48Å; N321-M324 PolarHBondContact O-N 2.94Å; S322-M324 VanDerWaalsContact C-N 3.28Å; S322-M324 PolarHBondContact O-N 2.85Å; M324-K328 HydrophobicContact SD-CB 3.9Å
325T95.8Very high92.9Very high47 Ų4771.1 Ų71.129%0.28834%0.335SS..  trans-147.2161.6175.9630000109A312 E327 K328 L329A312-T325 VanDerWaalsContact CB-C 3.44Å; T325-E327 PolarHBondContact O-N 3.26Å; T325-K328 PolarHBondContact O-N 2.75Å; T325-L329 PolarHBondContact O-N 2.87Å
326Y96.5Very high93.1Very high22 Ų2270.9 Ų70.99%0.08633%0.334CS..Hα-helixtrans-58.9-33.1-180180-104.9000112.4F305 E309 K328 L329 S330 L350 Y352F305-Y326 HydrophobicContact CD1-CE2 4.4Å; F305-Y326 HydrophobicContact CE1-CE2 4.43Å; F305-Y326 HydrophobicContact CG-CE2 4.44Å; E309-Y326 VanDerWaalsContact CD-CB 3.47Å; E309-Y326 WeakPolarHBondContact OE1-CB 3.38Å; E309-Y326 WeakPolarHBondContact OE2-CB 3.45Å; E309-Y326 PolarHBondContact OE2-N 2.9Å; Y326-K328 VanDerWaalsContact C-N 3.31Å; Y326-K328 PolarHBondContact O-N 3.49Å; Y326-L329 HydrophobicContact CD2-CD2 4.47Å; Y326-L329 PolarHBondContact O-N 3.46Å; Y326-S330 WeakPolarHBondContact O-CB 3.43Å; Y326-S330 PolarHBondContact O-N 3.31Å; Y326-S330 PolarHBondContact O-OG 2.99Å; Y326-L350 HydrophobicContact CE1-CD2 3.7Å; Y326-L350 HydrophobicContact CE2-CD2 4.25Å; Y326-L350 VanDerWaalsContact OH-CD2 3.32Å; Y326-L350 WeakPolarHBondContact OH-CD2 3.5Å; Y326-Y352 WeakPolarHBondContact OH-CE2 3.18Å; Y326-Y352 PolarHBondContact OH-OH 3.49Å
327E96.4Very high93.4Very high116 Ų11674.1 Ų74.154%0.54235%0.347SS..Hα-helixtrans-62.8-36174.1-81.6-53132.500113.4T325 S330 R331 R334T325-E327 PolarHBondContact O-N 3.26Å; E327-S330 PolarHBondContact O-OG 3.48Å; E327-R331 WeakPolarHBondContact O-CB 3.34Å; E327-R331 PolarHBondContact O-N 2.77Å; E327-R331 VanDerWaalsContact O-N 3.11Å; E327-R334 IonicContact OE2-NH2 3.82Å; E327-R334 PolarHBondContact OE2-NH2 3.14Å; E327-R334 VanDerWaalsContact OE2-NH2 3.14Å
328K96.5Very high93.8Very high111 Ų11180.6 Ų80.648%0.48337%0.374SS..Hα-helixtrans-75.1-40.6176.5-63.8170.3-168.2173.40110.9N323 M324 T325 Y326 R331 A332N323-K328 VanDerWaalsContact O-CD 3.28Å; N323-K328 WeakPolarHBondContact O-CD 3.47Å; N323-K328 PolarHBondContact O-NZ 3.25Å; M324-K328 HydrophobicContact SD-CB 3.9Å; T325-K328 PolarHBondContact O-N 2.75Å; Y326-K328 VanDerWaalsContact C-N 3.31Å; Y326-K328 PolarHBondContact O-N 3.49Å; K328-R331 WeakPolarHBondContact O-CB 3.43Å; K328-R331 PolarHBondContact O-N 3.3Å; K328-A332 PolarHBondContact O-N 2.95Å
329L96.9Very high94.2Very high0 Ų080.5 Ų80.50%037%0.37CS..Hα-helixtrans-63.8-50.2175.3-172.3154.6000111.2L275 I279 F305 V311 A312 W315 T325 Y326 R331 A332 M333L275-L329 HydrophobicContact CD1-CD1 3.89Å; L275-L329 HydrophobicContact CD1-CD2 4.31Å; L275-L329 HydrophobicContact CD1-CG 3.84Å; L275-L329 HydrophobicContact CD2-CD2 4.09Å; L275-L329 HydrophobicContact CD2-CG 3.86Å; L275-L329 HydrophobicContact CG-CG 4.49Å; I279-L329 HydrophobicContact CD1-CD2 4.49Å; F305-L329 HydrophobicContact CE1-CD2 4.21Å; F305-L329 HydrophobicContact CZ-CD2 3.98Å; V311-L329 HydrophobicContact CG1-CD1 4.48Å; A312-L329 HydrophobicContact CB-CB 4.38Å; A312-L329 HydrophobicContact CB-CD1 4.04Å; W315-L329 HydrophobicContact CB-CD1 4.04Å; W315-L329 HydrophobicContact CG-CD1 4.31Å; T325-L329 PolarHBondContact O-N 2.87Å; Y326-L329 HydrophobicContact CD2-CD2 4.47Å; Y326-L329 PolarHBondContact O-N 3.46Å; L329-R331 PolarHBondContact O-N 2.84Å; L329-A332 WeakPolarHBondContact O-CA 3.35Å; L329-A332 WeakPolarHBondContact O-CB 3.48Å; L329-A332 PolarHBondContact O-N 3.48Å; L329-M333 HydrophobicContact CD2-CG 3.83Å; L329-M333 HydrophobicContact CD2-SD 4.43Å; L329-M333 WeakPolarHBondContact O-CG 3.38Å; L329-M333 PolarHBondContact O-N 2.98Å
330S97.3Very high94.6Very high4 Ų480.9 Ų80.93%0.02837%0.373CS..Hα-helixtrans-64.4-24.917880.30000112.2Y326 E327 M333 R334Y326-S330 WeakPolarHBondContact O-CB 3.43Å; Y326-S330 PolarHBondContact O-N 3.31Å; Y326-S330 PolarHBondContact O-OG 2.99Å; E327-S330 PolarHBondContact O-OG 3.48Å; S330-M333 PolarHBondContact O-N 2.98Å; S330-R334 WeakPolarHBondContact O-CB 3.38Å; S330-R334 VanDerWaalsContact O-CG 3.26Å; S330-R334 WeakPolarHBondContact O-CG 3.03Å; S330-R334 PolarHBondContact O-N 3.48Å; S330-R334 PolarHBondContact O-NE 3.21Å; S330-R334 PolarHBondContact OG-NH2 3.5Å
331R97.4Very high95.1Very high105 Ų10571.6 Ų71.640%0.39633%0.333SS..Hα-helixtrans-68.4-33.8170.8-171.566.1-165.783.8-10.4112.3E327 K328 L329 Y335E327-R331 WeakPolarHBondContact O-CB 3.34Å; E327-R331 PolarHBondContact O-N 2.77Å; E327-R331 VanDerWaalsContact O-N 3.11Å; K328-R331 WeakPolarHBondContact O-CB 3.43Å; K328-R331 PolarHBondContact O-N 3.3Å; L329-R331 PolarHBondContact O-N 2.84Å; R331-Y335 HydrophobicContact CG-CE2 4.38Å; R331-Y335 VanDerWaalsContact NH1-CE1 3.32Å; R331-Y335 VanDerWaalsContact NH1-CE2 3.25Å; R331-Y335 PolarHBondContact NH2-OH 3.09Å; R331-Y335 WeakPolarHBondContact O-CD2 3.35Å
332A95.8Very high95.6Very high34 Ų3468.8 Ų68.828%0.28132%0.318SS..Hα-helixtrans-71.6-43.4170.400000111.9L275 K328 L329 R334 Y335 Y336L275-A332 HydrophobicContact CD2-CB 3.67Å; K328-A332 PolarHBondContact O-N 2.95Å; L329-A332 WeakPolarHBondContact O-CA 3.35Å; L329-A332 WeakPolarHBondContact O-CB 3.48Å; L329-A332 PolarHBondContact O-N 3.48Å; A332-R334 VanDerWaalsContact C-N 3.29Å; A332-R334 PolarHBondContact O-N 3.38Å; A332-Y335 WeakPolarHBondContact O-CB 3.49Å; A332-Y335 PolarHBondContact O-N 3.41Å; A332-Y336 PolarHBondContact O-N 2.93Å
333M97.3Very high96.1Very high1 Ų167.3 Ų67.31%0.00530%0.299CS..Hα-helixtrans-54-45.2173.4-60.6-66.6-88.400111.8L275 I279 F303 F305 L329 S330 Y335 Y336 L342 Y352L275-M333 HydrophobicContact CD2-CG 4.09Å; L275-M333 HydrophobicContact CD2-SD 3.8Å; L275-M333 HydrophobicContact CG-SD 4.16Å; I279-M333 HydrophobicContact CD1-CE 3.5Å; I279-M333 HydrophobicContact CD1-SD 3.4Å; I279-M333 WeakPolarHBondContact CD1-SD 3.31Å; F303-M333 HydrophobicContact CE2-CE 4.31Å; F303-M333 HydrophobicContact CZ-CE 4.02Å; F305-M333 HydrophobicContact CE2-CE 4.09Å; F305-M333 HydrophobicContact CZ-CE 4.18Å; L329-M333 HydrophobicContact CD2-CG 3.83Å; L329-M333 HydrophobicContact CD2-SD 4.43Å; L329-M333 WeakPolarHBondContact O-CG 3.38Å; L329-M333 PolarHBondContact O-N 2.98Å; S330-M333 PolarHBondContact O-N 2.98Å; M333-Y335 PolarHBondContact O-N 2.72Å; M333-Y336 WeakPolarHBondContact O-CB 3.44Å; M333-Y336 PolarHBondContact O-N 3.1Å; M333-Y336 HydrophobicContact SD-CD2 4.34Å; M333-L342 HydrophobicContact CB-CD1 4.22Å; M333-L342 HydrophobicContact CE-CD1 3.37Å; M333-L342 HydrophobicContact SD-CD1 3.55Å; M333-L342 VanDerWaalsContact SD-CD1 3.55Å; M333-Y352 HydrophobicContact CB-CE1 3.92Å; M333-Y352 HydrophobicContact CE-CD1 3.98Å; M333-Y352 HydrophobicContact CE-CD2 4.22Å; M333-Y352 HydrophobicContact CE-CE1 4.3Å; M333-Y352 HydrophobicContact CE-CG 3.94Å; M333-Y352 HydrophobicContact CG-CE1 4.49Å
334R96.5Very high96.4Very high104 Ų10469.9 Ų69.939%0.39230%0.301SS..Hα-helixtrans-61-23.4175.2-76.2174.4-84.3-176-8.2114.2E327 S330 A332 Y337E327-R334 IonicContact OE2-NH2 3.82Å; E327-R334 PolarHBondContact OE2-NH2 3.14Å; E327-R334 VanDerWaalsContact OE2-NH2 3.14Å; S330-R334 WeakPolarHBondContact O-CB 3.38Å; S330-R334 VanDerWaalsContact O-CG 3.26Å; S330-R334 WeakPolarHBondContact O-CG 3.03Å; S330-R334 PolarHBondContact O-N 3.48Å; S330-R334 PolarHBondContact O-NE 3.21Å; S330-R334 PolarHBondContact OG-NH2 3.5Å; A332-R334 VanDerWaalsContact C-N 3.29Å; A332-R334 PolarHBondContact O-N 3.38Å; R334-Y337 HydrophobicContact CB-CE2 4.44Å; R334-Y337 HydrophobicContact CG-CE2 4.06Å
335Y97.1Very high96.5Very high145 Ų14570.7 Ų70.757%0.56931%0.307SS*.Hα-helixtrans-79.5-22.3172.4-72.5-58.6000113.1R331 A332 M333 Y337R331-Y335 HydrophobicContact CG-CE2 4.38Å; R331-Y335 VanDerWaalsContact NH1-CE1 3.32Å; R331-Y335 VanDerWaalsContact NH1-CE2 3.25Å; R331-Y335 PolarHBondContact NH2-OH 3.09Å; R331-Y335 WeakPolarHBondContact O-CD2 3.35Å; A332-Y335 WeakPolarHBondContact O-CB 3.49Å; A332-Y335 PolarHBondContact O-N 3.41Å; M333-Y335 PolarHBondContact O-N 2.72Å; Y335-Y337 VanDerWaalsContact C-N 3.31Å; Y335-Y337 PolarHBondContact O-N 2.67Å
336Y97.6Very high96.3Very high21 Ų2173.1 Ų73.18%0.08232%0.318CS..Hα-helixtrans-72.8-21.3178-69-45.8000113.6L275 W276 A332 M333 K338 R339 E340 I341 L342L275-Y336 HydrophobicContact CB-CE2 4.02Å; L275-Y336 HydrophobicContact CD2-CE2 4.33Å; L275-Y336 HydrophobicContact CG-CE2 4.38Å; L275-Y336 PolarHBondContact N-OH 3.16Å; W276-Y336 HydrophobicContact CB-CD2 4.32Å; W276-Y336 HydrophobicContact CB-CE2 3.94Å; W276-Y336 AromaticContact CD1-CZ 3.96Å; A332-Y336 PolarHBondContact O-N 2.93Å; M333-Y336 WeakPolarHBondContact O-CB 3.44Å; M333-Y336 PolarHBondContact O-N 3.1Å; M333-Y336 HydrophobicContact SD-CD2 4.34Å; Y336-K338 PolarHBondContact O-N 2.95Å; Y336-R339 CarbonylContact O-C 3.54Å; Y336-R339 WeakPolarHBondContact O-CA 3.46Å; Y336-R339 PolarHBondContact O-N 2.92Å; Y336-E340 PolarHBondContact O-N 2.82Å; Y336-I341 HydrophobicContact CD1-CB 4.15Å; Y336-I341 HydrophobicContact CD1-CD1 3.93Å; Y336-I341 HydrophobicContact CD1-CG2 4.06Å; Y336-I341 HydrophobicContact CE1-CD1 4.27Å; Y336-I341 HydrophobicContact CG-CB 4.29Å; Y336-I341 HydrophobicContact CG-CG2 4.09Å; Y336-I341 PolarHBondContact O-N 2.95Å; Y336-L342 HydrophobicContact CD2-CD1 3.86Å; Y336-L342 HydrophobicContact CD2-CG 4.32Å; Y336-L342 HydrophobicContact CG-CD1 4.41Å
337Y97Very high96.1Very high67 Ų6776.4 Ų76.426%0.26336%0.359SS..G310 helixtrans-56.3-48175-58.4-20.8000112.5R334 Y335 R339 E340 L342 R344 Y352R334-Y337 HydrophobicContact CB-CE2 4.44Å; R334-Y337 HydrophobicContact CG-CE2 4.06Å; Y335-Y337 VanDerWaalsContact C-N 3.31Å; Y335-Y337 PolarHBondContact O-N 2.67Å; Y337-R339 PolarHBondContact O-N 2.75Å; Y337-E340 PolarHBondContact O-N 3.4Å; Y337-E340 VanDerWaalsContact O-N 3.1Å; Y337-L342 WeakPolarHBondContact CA-O 3.47Å; Y337-L342 HydrophobicContact CD1-CB 4.15Å; Y337-L342 HydrophobicContact CE1-CB 4.29Å; Y337-R344 HydrophobicContact CD1-CB 4.41Å; Y337-R344 HydrophobicContact CD2-CB 4.27Å; Y337-R344 HydrophobicContact CE1-CB 4.23Å; Y337-R344 HydrophobicContact CE2-CB 4.06Å; Y337-R344 HydrophobicContact CE2-CG 3.96Å; Y337-R344 HydrophobicContact CG-CB 4.44Å; Y337-Y352 HydrophobicContact CE1-CD1 4.46Å; Y337-Y352 WeakPolarHBondContact OH-CE1 3.47Å
338K95.1Very high96Very high204 Ų20478.6 Ų78.689%0.88736%0.362SS*.G310 helixtrans-69.9-13.2177.2-174.8166.9-179.3177.20113.3Y336Y336-K338 PolarHBondContact O-N 2.95Å
339R95.3Very high95.9Very high133 Ų13384.1 Ų84.150%0.50238%0.38SS..G310 helixtrans-97.3-3.9174.7-64.7179.961.2-177.8-3.5112.7Y336 Y337 I341 N357Y336-R339 CarbonylContact O-C 3.54Å; Y336-R339 WeakPolarHBondContact O-CA 3.46Å; Y336-R339 PolarHBondContact O-N 2.92Å; Y337-R339 PolarHBondContact O-N 2.75Å; R339-I341 HydrophobicContact CB-CD1 3.89Å; R339-I341 HydrophobicContact CB-CG1 4.01Å; R339-I341 PolarHBondContact O-N 2.97Å; R339-N357 PolarHBondContact O-ND2 2.85Å
340E96.1Very high95.9Very high86 Ų8686.4 Ų86.440%0.40239%0.392SS..THydrogen-bonded Turntrans53.623.4-174.9-42.6178.4110.100113.7Y336 Y337 G355 K356 N357Y336-E340 PolarHBondContact O-N 2.82Å; Y337-E340 PolarHBondContact O-N 3.4Å; Y337-E340 VanDerWaalsContact O-N 3.1Å; E340-G355 CarbonylContact O-C 3.45Å; E340-G355 VanDerWaalsContact O-C 3.23Å; E340-G355 WeakPolarHBondContact O-CA 3.21Å; E340-K356 PolarHBondContact O-N 2.65Å; E340-K356 WeakPolarHBondContact OE1-CE 3.32Å; E340-K356 IonicContact OE1-NZ 3.14Å; E340-K356 PolarHBondContact OE1-NZ 3.41Å; E340-K356 WeakPolarHBondContact OE2-CE 3.46Å; E340-K356 IonicContact OE2-NZ 3.85Å; E340-K356 PolarHBondContact OE2-NZ 3.46Å; E340-N357 WeakPolarHBondContact O-CB 3.48Å; E340-N357 PolarHBondContact O-N 2.67Å
341I96.3Very high95.8Very high9 Ų986.7 Ų86.75%0.04639%0.394CS..SBendtrans-78.7-31.5171.9-70.3172.1000109.6W276 Y336 R339 G355 N357 S358W276-I341 HydrophobicContact CB-CG2 3.7Å; W276-I341 HydrophobicContact CD2-CG2 3.83Å; W276-I341 HydrophobicContact CE3-CG2 4.44Å; W276-I341 HydrophobicContact CG-CG2 3.47Å; W276-I341 VanDerWaalsContact CG-CG2 3.47Å; Y336-I341 HydrophobicContact CD1-CB 4.15Å; Y336-I341 HydrophobicContact CD1-CD1 3.93Å; Y336-I341 HydrophobicContact CD1-CG2 4.06Å; Y336-I341 HydrophobicContact CE1-CD1 4.27Å; Y336-I341 HydrophobicContact CG-CB 4.29Å; Y336-I341 HydrophobicContact CG-CG2 4.09Å; Y336-I341 PolarHBondContact O-N 2.95Å; R339-I341 HydrophobicContact CB-CD1 3.89Å; R339-I341 HydrophobicContact CB-CG1 4.01Å; R339-I341 PolarHBondContact O-N 2.97Å; I341-G355 PolarHBondContact O-N 3.44Å; I341-N357 HydrophobicContact CG1-CB 4.11Å; I341-S358 WeakPolarHBondContact O-CB 3.33Å; I341-S358 PolarHBondContact O-OG 2.93Å
342L97.1Very high95.9Very high2 Ų282.6 Ų82.61%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-129146.6168.7-63.4178.1000109F303 M333 Y336 Y337 K353 F354F303-L342 HydrophobicContact CE1-CD2 4.25Å; F303-L342 HydrophobicContact CZ-CD2 4.3Å; M333-L342 HydrophobicContact CB-CD1 4.22Å; M333-L342 HydrophobicContact CE-CD1 3.37Å; M333-L342 HydrophobicContact SD-CD1 3.55Å; M333-L342 VanDerWaalsContact SD-CD1 3.55Å; Y336-L342 HydrophobicContact CD2-CD1 3.86Å; Y336-L342 HydrophobicContact CD2-CG 4.32Å; Y336-L342 HydrophobicContact CG-CD1 4.41Å; Y337-L342 WeakPolarHBondContact CA-O 3.47Å; Y337-L342 HydrophobicContact CD1-CB 4.15Å; Y337-L342 HydrophobicContact CE1-CB 4.29Å; L342-K353 CarbonylContact C-O 3.53Å; L342-K353 VanDerWaalsContact CA-O 3.27Å; L342-K353 WeakPolarHBondContact CA-O 3.31Å; L342-K353 WeakPolarHBondContact CD2-O 3.28Å; L342-F354 HydrophobicContact CD2-CD1 3.77Å; L342-F354 HydrophobicContact CD2-CE1 4.04Å; L342-F354 HydrophobicContact CD2-CG 4.41Å
343E96.9Very high95.9Very high71 Ų7183.7 Ų83.733%0.33238%0.376SS..EExtended strand (participates in β ladder)trans-99.6146.1169.7-73.9169.4-152.100109.9K353E343-K353 HydrophobicContact CB-CB 4.2Å; E343-K353 HydrophobicContact CB-CD 4.26Å; E343-K353 HydrophobicContact CB-CG 4.44Å; E343-K353 PolarHBondContact N-O 3.04Å; E343-K353 IonicContact OE1-NZ 3.55Å; E343-K353 WeakPolarHBondContact OE2-CD 3.43Å; E343-K353 WeakPolarHBondContact OE2-CE 3.3Å; E343-K353 IonicContact OE2-NZ 2.75Å; E343-K353 PolarHBondContact OE2-NZ 3Å
344R95.3Very high95.9Very high167 Ų16783.8 Ų83.863%0.6338%0.377SS*.  trans-79.4124.5178.8-174.8-170-179-133.71.9109Y337 D346Y337-R344 HydrophobicContact CD1-CB 4.41Å; Y337-R344 HydrophobicContact CD2-CB 4.27Å; Y337-R344 HydrophobicContact CE1-CB 4.23Å; Y337-R344 HydrophobicContact CE2-CB 4.06Å; Y337-R344 HydrophobicContact CE2-CG 3.96Å; Y337-R344 HydrophobicContact CG-CB 4.44Å; R344-D346 WeakPolarHBondContact CD-OD1 3.27Å; R344-D346 VanDerWaalsContact CG-OD1 3.31Å; R344-D346 WeakPolarHBondContact CG-OD1 3.26Å; R344-D346 IonicContact CZ-OD1 3.72Å; R344-D346 IonicContact CZ-OD2 3.49Å; R344-D346 IonicContact NE-OD1 3.77Å; R344-D346 PolarHBondContact NE-OD1 3.05Å; R344-D346 IonicContact NH1-OD1 2.67Å; R344-D346 PolarHBondContact NH1-OD1 3.24Å; R344-D346 IonicContact NH1-OD2 3.3Å; R344-D346 PolarHBondContact NH1-OD2 3.31Å; R344-D346 IonicContact NH2-OD1 2.7Å; R344-D346 PolarHBondContact NH2-OD1 3.07Å
345V96.1Very high95.9Very high35 Ų3578.9 Ų78.921%0.21236%0.359CS..  trans-99.9114.6173.2-173.80000108.8R348 V351 K353V345-R348 HydrophobicContact CG1-CB 4.08Å; V345-R348 HydrophobicContact CG1-CG 4.19Å; V345-V351 HydrophobicContact CB-CG1 4.28Å; V345-V351 HydrophobicContact CG1-CB 4.48Å; V345-V351 HydrophobicContact CG1-CG1 3.96Å; V345-V351 HydrophobicContact CG2-CG1 4.32Å; V345-K353 HydrophobicContact CG2-CB 3.74Å
346D92.3Very high95.7Very high98 Ų9878.6 Ų78.652%0.52436%0.36SS..SBendtrans-86.5151.4-175.5-76.4-6.7000112.7R344 R348R344-D346 WeakPolarHBondContact CD-OD1 3.27Å; R344-D346 VanDerWaalsContact CG-OD1 3.31Å; R344-D346 WeakPolarHBondContact CG-OD1 3.26Å; R344-D346 IonicContact CZ-OD1 3.72Å; R344-D346 IonicContact CZ-OD2 3.49Å; R344-D346 IonicContact NE-OD1 3.77Å; R344-D346 PolarHBondContact NE-OD1 3.05Å; R344-D346 IonicContact NH1-OD1 2.67Å; R344-D346 PolarHBondContact NH1-OD1 3.24Å; R344-D346 IonicContact NH1-OD2 3.3Å; R344-D346 PolarHBondContact NH1-OD2 3.31Å; R344-D346 IonicContact NH2-OD1 2.7Å; R344-D346 PolarHBondContact NH2-OD1 3.07Å; D346-R348 PolarHBondContact O-N 2.92Å
347G92.1Very high95.5Very high92 Ų9281.8 Ų81.895%0.94838%0.379SS*.SBendtrans70.5-11-177.900000116.1
348R94Very high95.3Very high161 Ų16178.9 Ų78.961%0.60837%0.368SS*.  trans-111.5110.5-174-59.1-172.1-177.1-1651112.2V345 D346 V351V345-R348 HydrophobicContact CG1-CB 4.08Å; V345-R348 HydrophobicContact CG1-CG 4.19Å; D346-R348 PolarHBondContact O-N 2.92Å; R348-V351 HydrophobicContact CB-CB 3.73Å; R348-V351 HydrophobicContact CB-CG1 4.37Å; R348-V351 HydrophobicContact CB-CG2 3.8Å
349R94.9Very high95.1Very high227 Ų22772.2 Ų72.286%0.85735%0.348SS*.THydrogen-bonded Turntrans-68.2141.6173.9-67-179.169.4-1650.7110.7V351R349-V351 PolarHBondContact O-N 3.22Å; R349-V351 VanDerWaalsContact O-N 3.09Å
350L96Very high94.7Very high48 Ų4866.7 Ų66.725%0.25133%0.332SS..THydrogen-bonded Turntrans60.96.8179.5-54.3-175.1000115.8K304 F305 Y326K304-L350 WeakPolarHBondContact CA-O 3.32Å; K304-L350 HydrophobicContact CG-CB 4.46Å; F305-L350 HydrophobicContact CB-CB 4.23Å; F305-L350 PolarHBondContact N-O 3.1Å; Y326-L350 HydrophobicContact CE1-CD2 3.7Å; Y326-L350 HydrophobicContact CE2-CD2 4.25Å; Y326-L350 VanDerWaalsContact OH-CD2 3.32Å; Y326-L350 WeakPolarHBondContact OH-CD2 3.5Å
351V96.9Very high94.3Very high11 Ų1163.3 Ų63.37%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-100.5137177.9-178.70000109.9V302 F303 K304 V345 R348 R349V302-V351 HydrophobicContact CG1-CG1 3.64Å; F303-V351 WeakPolarHBondContact O-CA 3.16Å; K304-V351 HydrophobicContact CB-CG2 4.05Å; K304-V351 HydrophobicContact CD-CG2 4Å; K304-V351 HydrophobicContact CG-CG2 3.86Å; V345-V351 HydrophobicContact CB-CG1 4.28Å; V345-V351 HydrophobicContact CG1-CB 4.48Å; V345-V351 HydrophobicContact CG1-CG1 3.96Å; V345-V351 HydrophobicContact CG2-CG1 4.32Å; R348-V351 HydrophobicContact CB-CB 3.73Å; R348-V351 HydrophobicContact CB-CG1 4.37Å; R348-V351 HydrophobicContact CB-CG2 3.8Å; R349-V351 PolarHBondContact O-N 3.22Å; R349-V351 VanDerWaalsContact O-N 3.09Å
352Y97.6Very high93.8Very high18 Ų1866.9 Ų66.97%0.07133%0.331CS..EExtended strand (participates in β ladder)trans-137.3161.4179.3-68.2-87.7000109.6V302 F303 F305 Y326 M333 Y337V302-Y352 WeakPolarHBondContact CA-O 3.17Å; F303-Y352 HydrophobicContact CE2-CD2 4.43Å; F303-Y352 HydrophobicContact CE2-CG 4.43Å; F303-Y352 VanDerWaalsContact CZ-CB 3.49Å; F303-Y352 HydrophobicContact CZ-CG 4.38Å; F303-Y352 PolarHBondContact N-O 3.48Å; F303-Y352 PolarHBondContact O-N 3.47Å; F303-Y352 VanDerWaalsContact O-O 3.09Å; F305-Y352 AromaticContact CD2-CD2 3.8Å; F305-Y352 HydrophobicContact CD2-CD2 3.8Å; F305-Y352 AromaticContact CD2-CE2 3.89Å; F305-Y352 HydrophobicContact CD2-CE2 3.89Å; F305-Y352 AromaticContact CE2-CD2 3.54Å; F305-Y352 HydrophobicContact CE2-CD2 3.54Å; F305-Y352 AromaticContact CE2-CE2 3.66Å; F305-Y352 HydrophobicContact CE2-CE2 3.66Å; Y326-Y352 WeakPolarHBondContact OH-CE2 3.18Å; Y326-Y352 PolarHBondContact OH-OH 3.49Å; M333-Y352 HydrophobicContact CB-CE1 3.92Å; M333-Y352 HydrophobicContact CE-CD1 3.98Å; M333-Y352 HydrophobicContact CE-CD2 4.22Å; M333-Y352 HydrophobicContact CE-CE1 4.3Å; M333-Y352 HydrophobicContact CE-CG 3.94Å; M333-Y352 HydrophobicContact CG-CE1 4.49Å; Y337-Y352 HydrophobicContact CE1-CD1 4.46Å; Y337-Y352 WeakPolarHBondContact OH-CE1 3.47Å
353K97.3Very high92.9Very high57 Ų5770.5 Ų70.525%0.24835%0.348CS..EExtended strand (participates in β ladder)trans-129.6136.9175.1-177.4-174.7170.6-155.60109.9E300 G301 V302 L342 E343 V345E300-K353 WeakPolarHBondContact O-CE 3.42Å; E300-K353 WeakPolarHBondContact O-CG 3.26Å; G301-K353 CarbonylContact O-C 3.31Å; G301-K353 WeakPolarHBondContact O-CA 3.3Å; V302-K353 HydrophobicContact CG2-CB 4.14Å; V302-K353 HydrophobicContact CG2-CD 4.04Å; V302-K353 HydrophobicContact CG2-CG 3.83Å; L342-K353 CarbonylContact C-O 3.53Å; L342-K353 VanDerWaalsContact CA-O 3.27Å; L342-K353 WeakPolarHBondContact CA-O 3.31Å; L342-K353 WeakPolarHBondContact CD2-O 3.28Å; E343-K353 HydrophobicContact CB-CB 4.2Å; E343-K353 HydrophobicContact CB-CD 4.26Å; E343-K353 HydrophobicContact CB-CG 4.44Å; E343-K353 PolarHBondContact N-O 3.04Å; E343-K353 IonicContact OE1-NZ 3.55Å; E343-K353 WeakPolarHBondContact OE2-CD 3.43Å; E343-K353 WeakPolarHBondContact OE2-CE 3.3Å; E343-K353 IonicContact OE2-NZ 2.75Å; E343-K353 PolarHBondContact OE2-NZ 3Å; V345-K353 HydrophobicContact CG2-CB 3.74Å
354F97.4Very high91.7Very high3 Ų374.1 Ų74.11%0.01337%0.365CS..EExtended strand (participates in β ladder)trans-68.2128.6169.2-78.7-69.6000110.7W276 I279 R280 L283 W295 G301 F303 L342 S358 W361W276-F354 HydrophobicContact CE3-CE1 4.28Å; I279-F354 HydrophobicContact CG2-CZ 4.15Å; R280-F354 HydrophobicContact CB-CE1 4.21Å; R280-F354 HydrophobicContact CB-CZ 3.75Å; L283-F354 HydrophobicContact CD1-CE2 3.93Å; L283-F354 HydrophobicContact CD1-CZ 4.4Å; W295-F354 AromaticContact CH2-CD2 3.78Å; W295-F354 HydrophobicContact CH2-CD2 3.78Å; W295-F354 AromaticContact CH2-CE2 3.66Å; W295-F354 HydrophobicContact CH2-CE2 3.66Å; W295-F354 AromaticContact CZ3-CD2 3.9Å; W295-F354 HydrophobicContact CZ3-CD2 3.9Å; W295-F354 HydrophobicContact CZ3-CE2 4.07Å; G301-F354 PolarHBondContact O-N 3.04Å; F303-F354 AromaticContact CD1-CD2 3.66Å; F303-F354 HydrophobicContact CD1-CD2 3.66Å; F303-F354 AromaticContact CD1-CE2 3.52Å; F303-F354 HydrophobicContact CD1-CE2 3.52Å; F303-F354 HydrophobicContact CD1-CZ 4.33Å; F303-F354 HydrophobicContact CE1-CD1 4.44Å; F303-F354 AromaticContact CE1-CD2 3.55Å; F303-F354 HydrophobicContact CE1-CD2 3.55Å; F303-F354 HydrophobicContact CE1-CE1 4.29Å; F303-F354 AromaticContact CE1-CE2 3.35Å; F303-F354 HydrophobicContact CE1-CE2 3.35Å; F303-F354 HydrophobicContact CE1-CG 4.1Å; F303-F354 AromaticContact CE1-CZ 3.76Å; F303-F354 HydrophobicContact CE1-CZ 3.76Å; F303-F354 HydrophobicContact CG-CE2 4.44Å; F303-F354 HydrophobicContact CZ-CE2 4.17Å; F303-F354 HydrophobicContact CZ-CZ 4.18Å; L342-F354 HydrophobicContact CD2-CD1 3.77Å; L342-F354 HydrophobicContact CD2-CE1 4.04Å; L342-F354 HydrophobicContact CD2-CG 4.41Å; F354-S358 WeakPolarHBondContact CB-OG 3.43Å; F354-S358 WeakPolarHBondContact CD1-OG 3.47Å; F354-W361 HydrophobicContact CB-CD2 3.94Å; F354-W361 HydrophobicContact CB-CG 4.21Å; F354-W361 HydrophobicContact CB-CZ2 3.88Å; F354-W361 HydrophobicContact CD2-CB 4.35Å; F354-W361 HydrophobicContact CD2-CD2 4.33Å; F354-W361 HydrophobicContact CD2-CG 4.13Å; F354-W361 AromaticContact CG-CD1 3.96Å; F354-W361 HydrophobicContact CG-CD2 4.27Å; F354-W361 HydrophobicContact CG-CG 4.09Å
355G95.5Very high90.4Very high1 Ų168.3 Ų68.31%0.0135%0.345CS..  trans-92.3165-179.900000112.1E340 I341 N357 S358E340-G355 CarbonylContact O-C 3.45Å; E340-G355 VanDerWaalsContact O-C 3.23Å; E340-G355 WeakPolarHBondContact O-CA 3.21Å; I341-G355 PolarHBondContact O-N 3.44Å; G355-N357 PolarHBondContact O-N 2.7Å; G355-S358 PolarHBondContact O-N 3.3Å; G355-S358 PolarHBondContact O-OG 2.61Å
356K93.6Very high88.8Confident139 Ų13968.7 Ų68.760%0.60435%0.347SS*.THydrogen-bonded Turntrans-53.7-21.4-176.776.1-160.6-173.8-158.50115.9E340 S358E340-K356 PolarHBondContact O-N 2.65Å; E340-K356 WeakPolarHBondContact OE1-CE 3.32Å; E340-K356 IonicContact OE1-NZ 3.14Å; E340-K356 PolarHBondContact OE1-NZ 3.41Å; E340-K356 WeakPolarHBondContact OE2-CE 3.46Å; E340-K356 IonicContact OE2-NZ 3.85Å; E340-K356 PolarHBondContact OE2-NZ 3.46Å; K356-S358 VanDerWaalsContact C-N 3.29Å; K356-S358 PolarHBondContact O-N 3.2Å
357N93.7Very high87.1Confident88 Ų8869.6 Ų69.647%0.47135%0.351SS..THydrogen-bonded Turntrans-91.721.9176.6-62.5-14.7000113R339 E340 I341 G355R339-N357 PolarHBondContact O-ND2 2.85Å; E340-N357 WeakPolarHBondContact O-CB 3.48Å; E340-N357 PolarHBondContact O-N 2.67Å; I341-N357 HydrophobicContact CG1-CB 4.11Å; G355-N357 PolarHBondContact O-N 2.7Å
358S92.4Very high85Confident6 Ų672.5 Ų72.54%0.04234%0.34CS..  trans-129.6144174.666.80000110.5I341 F354 G355 K356 W361I341-S358 WeakPolarHBondContact O-CB 3.33Å; I341-S358 PolarHBondContact O-OG 2.93Å; F354-S358 WeakPolarHBondContact CB-OG 3.43Å; F354-S358 WeakPolarHBondContact CD1-OG 3.47Å; G355-S358 PolarHBondContact O-N 3.3Å; G355-S358 PolarHBondContact O-OG 2.61Å; K356-S358 VanDerWaalsContact C-N 3.29Å; K356-S358 PolarHBondContact O-N 3.2Å; S358-W361 PolarHBondContact O-NE1 3.39Å; S358-W361 PolarHBondContact OG-NE1 3.47Å
359S90.1Very high82.8Confident65 Ų6569.5 Ų69.546%0.45534%0.344SS..  trans-142.5169.1-170.458.70000113.1R280 W361 E365R280-S359 VanDerWaalsContact CD-O 3.26Å; R280-S359 WeakPolarHBondContact CD-O 3.46Å; R280-S359 PolarHBondContact NH1-O 2.82Å; S359-W361 VanDerWaalsContact C-N 3.32Å; S359-E365 WeakPolarHBondContact CA-OE2 3.49Å
360G86.3Confident80.6Confident17 Ų1768.8 Ų68.818%0.17534%0.341CS..SBendtrans77.215-177.400000113.8R280 E365 V366R280-G360 WeakPolarHBondContact CD-O 3.46Å; G360-E365 PolarHBondContact N-OE2 2.88Å; G360-V366 WeakPolarHBondContact O-CG2 3.03Å
361W87.6Confident77.7Confident15 Ų1576.5 Ų76.56%0.05738%0.383CS..  trans-109.5-25178.458.9-96.6000113.1R280 W295 R298 G301 F354 S358 S359R280-W361 HydrophobicContact CG-CB 3.99Å; W295-W361 HydrophobicContact CH2-CB 4.15Å; R298-W361 VanDerWaalsContact CZ-O 3.31Å; R298-W361 PolarHBondContact NE-O 2.87Å; R298-W361 PolarHBondContact NH2-O 2.93Å; G301-W361 VanDerWaalsContact N-CZ3 3.32Å; F354-W361 HydrophobicContact CB-CD2 3.94Å; F354-W361 HydrophobicContact CB-CG 4.21Å; F354-W361 HydrophobicContact CB-CZ2 3.88Å; F354-W361 HydrophobicContact CD2-CB 4.35Å; F354-W361 HydrophobicContact CD2-CD2 4.33Å; F354-W361 HydrophobicContact CD2-CG 4.13Å; F354-W361 AromaticContact CG-CD1 3.96Å; F354-W361 HydrophobicContact CG-CD2 4.27Å; F354-W361 HydrophobicContact CG-CG 4.09Å; S358-W361 PolarHBondContact O-NE1 3.39Å; S358-W361 PolarHBondContact OG-NE1 3.47Å; S359-W361 VanDerWaalsContact C-N 3.32Å
362K87.7Confident76.7Confident83 Ų8379.8 Ų79.836%0.36140%0.398SS..SBendtrans-68.8147.9174.9-56.7-179.2-158.5142.60110.2E364 E365 V366K362-E364 VanDerWaalsContact C-N 3.34Å; K362-E364 PolarHBondContact O-N 3.2Å; K362-E365 HydrophobicContact CB-CB 4.33Å; K362-E365 HydrophobicContact CB-CG 4.14Å; K362-E365 HydrophobicContact CD-CG 4.4Å; K362-E365 WeakPolarHBondContact CD-OE1 3.44Å; K362-E365 WeakPolarHBondContact CE-OE1 3.44Å; K362-E365 IonicContact NZ-OE1 3.15Å; K362-E365 PolarHBondContact NZ-OE1 2.86Å; K362-E365 PolarHBondContact O-N 3.18Å; K362-V366 WeakPolarHBondContact O-CG2 3.32Å; K362-V366 PolarHBondContact O-N 2.94Å
363E76.8Confident75.6Confident79 Ų7983 Ų8337%0.36942%0.416SS..Hα-helixtrans-61.5-42.6-178-67.8150.8153.900111.7R298 H299 E365 V366 L367R298-E363 HydrophobicContact CG-CG 3.94Å; R298-E363 WeakPolarHBondContact CG-OE1 3.22Å; H299-E363 IonicContact CE1-OE1 2.7Å; H299-E363 IonicContact CE1-OE2 2.75Å; H299-E363 PolarHBondContact CE1-OE2 2.89Å; H299-E363 IonicContact ND1-OE1 3.77Å; H299-E363 IonicContact ND1-OE2 2.99Å; H299-E363 PolarHBondContact ND1-OE2 3.49Å; E363-E365 PolarHBondContact O-N 2.66Å; E363-V366 PolarHBondContact O-N 2.86Å; E363-L367 VanDerWaalsContact O-CG 3.32Å; E363-L367 WeakPolarHBondContact O-CG 3.44Å; E363-L367 PolarHBondContact O-N 3.31Å
364E72.5Confident74.4Confident147 Ų14784.4 Ų84.469%0.68743%0.425SS*.Hα-helixtrans-59.3-45.5176.2-60.4173.7166.800112.7K362 L367 Q368K362-E364 VanDerWaalsContact C-N 3.34Å; K362-E364 PolarHBondContact O-N 3.2Å; E364-L367 PolarHBondContact O-N 2.59Å; E364-Q368 WeakPolarHBondContact O-CB 3.18Å; E364-Q368 WeakPolarHBondContact O-CG 2.97Å; E364-Q368 PolarHBondContact O-N 3.42Å
365E67.9Low73Confident45 Ų4589.2 Ų89.221%0.2145%0.449CS..Hα-helixtrans-69.2-35.6-179.5-66.6176.2-172.800112.2S359 G360 K362 E363 S369S359-E365 WeakPolarHBondContact CA-OE2 3.49Å; G360-E365 PolarHBondContact N-OE2 2.88Å; K362-E365 HydrophobicContact CB-CB 4.33Å; K362-E365 HydrophobicContact CB-CG 4.14Å; K362-E365 HydrophobicContact CD-CG 4.4Å; K362-E365 WeakPolarHBondContact CD-OE1 3.44Å; K362-E365 WeakPolarHBondContact CE-OE1 3.44Å; K362-E365 IonicContact NZ-OE1 3.15Å; K362-E365 PolarHBondContact NZ-OE1 2.86Å; K362-E365 PolarHBondContact O-N 3.18Å; E363-E365 PolarHBondContact O-N 2.66Å; E365-S369 PolarHBondContact O-N 3.49Å; E365-S369 PolarHBondContact O-OG 3.45Å
366V62.3Low71.6Confident43 Ų4394.8 Ų94.826%0.26148%0.477SS..Hα-helixtrans-71.1-39.3177.3172.40000111.1I284 G360 K362 E363 S369I284-V366 HydrophobicContact CG2-CG2 4.29Å; G360-V366 WeakPolarHBondContact O-CG2 3.03Å; K362-V366 WeakPolarHBondContact O-CG2 3.32Å; K362-V366 PolarHBondContact O-N 2.94Å; E363-V366 PolarHBondContact O-N 2.86Å; V366-S369 PolarHBondContact O-N 3.18Å
367L55.8Low70.2Confident117 Ų11791.8 Ų91.861%0.61347%0.468SS*.Hα-helixtrans-68.4-39.4176.2-70.2169.5000112.1E363 E364 S369 R370E363-L367 VanDerWaalsContact O-CG 3.32Å; E363-L367 WeakPolarHBondContact O-CG 3.44Å; E363-L367 PolarHBondContact O-N 3.31Å; E364-L367 PolarHBondContact O-N 2.59Å; L367-S369 PolarHBondContact O-N 3.35Å; L367-R370 PolarHBondContact O-N 3.4Å; L367-R370 VanDerWaalsContact O-N 3.16Å
368Q47.6Very low68.5Low152 Ų15292.1 Ų92.171%0.7147%0.468SS*.THydrogen-bonded Turntrans-68-10.7173-73176.91.600114E364E364-Q368 WeakPolarHBondContact O-CB 3.18Å; E364-Q368 WeakPolarHBondContact O-CG 2.97Å; E364-Q368 PolarHBondContact O-N 3.42Å
369S49.4Very low66.6Low99 Ų9998.7 Ų98.769%0.69250%0.501SS*.THydrogen-bonded Turntrans-94.47.8174.1-54.70000112.9E365 V366 L367E365-S369 PolarHBondContact O-N 3.49Å; E365-S369 PolarHBondContact O-OG 3.45Å; V366-S369 PolarHBondContact O-N 3.18Å; L367-S369 PolarHBondContact O-N 3.35Å
370R48.2Very low64.7Low211 Ų211101.5 Ų101.580%0.79651%0.505SS*.  trans-128.72.1-174.2-160.9173.7178.6171.62113.8L367L367-R370 PolarHBondContact O-N 3.4Å; L367-R370 VanDerWaalsContact O-N 3.16Å
371N33.8Very low62.7Low210 Ų210109.2 Ų109.2100%1.12353%0.534SS*.  trans-118.90168.2-74.4-10.4000109

Retrieved 371 of 371 residues in 499 ms (Link to these results)

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