A0A087XJV1_POEFO Loading...

Bmi1 polycomb ring finger oncogene 1a

Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. In the PRC1 complex, it is required to stimulate the E3 ubiquitin-protein ligase activity of rnf2.

AlphaFold DB , UniProt , Accession A0A087XJV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 355 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
1T39.2Very low66.6Low190 Ų190144.3 Ų144.3100%1.16671%0.707SS**  0132.3033.80000108.3
2N39.8Very low68.9Low160 Ų160139.8 Ų139.886%0.85669%0.694SS**  trans-73.5139.6-172.4-155.7-6.1000110.8
3M44.6Very low70.9Confident147 Ų147136.7 Ų136.772%0.72468%0.676SS**  trans-85.2120.6-177-67.9179.47100110R5M3-R5 PolarHBondContact O-N 3.27Å
4H54.5Low72.7Confident147 Ų147130.4 Ų130.468%0.68165%0.646SS**  trans-70.870.9161.2-71.1110.5000109.6T6 Y210H4-T6 PolarHBondContact O-N 3.19Å; H4-Y210 WeakPolarHBondContact O-CE2 3.46Å
5R58.8Low74.2Confident198 Ų198124.2 Ų124.275%0.74762%0.616SS**  trans-74.7118.3177.4-175.2-179.9-172.5177.82.5108.2M3 T7M3-R5 PolarHBondContact O-N 3.27Å; R5-T7 PolarHBondContact O-N 3.31Å; R5-T7 PolarHBondContact O-OG1 2.92Å
6T65.4Low75.6Confident106 Ų106122.1 Ų122.165%0.6562%0.615SS**  trans-52.7106.3173.4-45.30000109.5H4H4-T6 PolarHBondContact O-N 3.19Å
7T75.7Confident76.8Confident103 Ų103123.1 Ų123.163%0.63262%0.616SS**  trans-108.6129-171.8-62.50000108.7R5 I9R5-T7 PolarHBondContact O-N 3.31Å; R5-T7 PolarHBondContact O-OG1 2.92Å; T7-I9 HydrophobicContact CG2-CG1 4.14Å
8R81.8Confident77.9Confident241 Ų241116.5 Ų116.591%0.90958%0.583SS**  trans-105.8110.4-180-67.2-178.3175.1-173.9-3.9108.8
9I88.9Confident79Confident102 Ų102113.7 Ų113.752%0.52357%0.57SS.*  trans-105.4146.1175-57.7178.7000107.2T7 E13 L14T7-I9 HydrophobicContact CG2-CG1 4.14Å; I9-E13 HydrophobicContact CG2-CB 4.19Å; I9-E13 WeakPolarHBondContact CG2-OE2 3.42Å; I9-L14 HydrophobicContact CG2-CD1 4.43Å; I9-L14 HydrophobicContact CG2-CD2 4.17Å; I9-L14 HydrophobicContact CG2-CG 4.08Å
10K91.9Very high80Confident135 Ų135108 Ų10859%0.58754%0.541SS*.  trans-76.8136.1175.6-56.8-177.2-159.4128.90109.3T12 E13K10-T12 WeakPolarHBondContact CB-OG1 3.08Å; K10-T12 PolarHBondContact O-N 3.13Å; K10-T12 VanDerWaalsContact O-N 3.1Å; K10-E13 HydrophobicContact CB-CG 4.21Å; K10-E13 VanDerWaalsContact CD-OE1 3.26Å; K10-E13 WeakPolarHBondContact CD-OE1 3.28Å; K10-E13 WeakPolarHBondContact CG-OE1 3.4Å; K10-E13 PolarHBondContact N-OE2 2.77Å; K10-E13 IonicContact NZ-OE1 2.64Å; K10-E13 PolarHBondContact NZ-OE1 3.48Å; K10-E13 VanDerWaalsContact NZ-OE1 3.16Å; K10-E13 WeakPolarHBondContact O-CB 3.49Å; K10-E13 PolarHBondContact O-N 2.72Å
11I92.5Very high80.8Confident58 Ų58107.4 Ų107.430%0.29754%0.543SS..Hα-helixtrans-55.3-33.2177.2-166.9166.5000112.5E13 L14 N15 V85I11-E13 PolarHBondContact O-N 3.06Å; I11-L14 CarbonylContact O-C 3.53Å; I11-L14 WeakPolarHBondContact O-CA 3.33Å; I11-L14 WeakPolarHBondContact O-CB 3.29Å; I11-L14 PolarHBondContact O-N 3Å; I11-N15 PolarHBondContact O-N 3.01Å; I11-N15 PolarHBondContact O-OD1 3.06Å; I11-V85 HydrophobicContact CD1-CB 4.27Å; I11-V85 HydrophobicContact CD1-CG1 4.02Å; I11-V85 HydrophobicContact CD1-CG2 4.2Å
12T94.2Very high83.6Confident90 Ų90101.2 Ų101.255%0.55250%0.502SS*.Hα-helixtrans-58.7-28.7174.352.30000114.4K10 L14K10-T12 WeakPolarHBondContact CB-OG1 3.08Å; K10-T12 PolarHBondContact O-N 3.13Å; K10-T12 VanDerWaalsContact O-N 3.1Å; T12-L14 VanDerWaalsContact C-N 3.34Å
13E95Very high86.4Confident100 Ų10097 Ų9747%0.46748%0.484SS..Hα-helixtrans-79.1-21.9176.8-64.6151.7-165.200111I9 K10 I11I9-E13 HydrophobicContact CG2-CB 4.19Å; I9-E13 WeakPolarHBondContact CG2-OE2 3.42Å; K10-E13 HydrophobicContact CB-CG 4.21Å; K10-E13 VanDerWaalsContact CD-OE1 3.26Å; K10-E13 WeakPolarHBondContact CD-OE1 3.28Å; K10-E13 WeakPolarHBondContact CG-OE1 3.4Å; K10-E13 PolarHBondContact N-OE2 2.77Å; K10-E13 IonicContact NZ-OE1 2.64Å; K10-E13 PolarHBondContact NZ-OE1 3.48Å; K10-E13 VanDerWaalsContact NZ-OE1 3.16Å; K10-E13 WeakPolarHBondContact O-CB 3.49Å; K10-E13 PolarHBondContact O-N 2.72Å; I11-E13 PolarHBondContact O-N 3.06Å
14L95.1Very high88.9Confident48 Ų4892.8 Ų92.825%0.25148%0.479SS..Hα-helixtrans-93.9-24.7176.4-58.9178.4000113.3I9 I11 T12 P16 H17 L18 L84I9-L14 HydrophobicContact CG2-CD1 4.43Å; I9-L14 HydrophobicContact CG2-CD2 4.17Å; I9-L14 HydrophobicContact CG2-CG 4.08Å; I11-L14 CarbonylContact O-C 3.53Å; I11-L14 WeakPolarHBondContact O-CA 3.33Å; I11-L14 WeakPolarHBondContact O-CB 3.29Å; I11-L14 PolarHBondContact O-N 3Å; T12-L14 VanDerWaalsContact C-N 3.34Å; L14-P16 VanDerWaalsContact C-N 3.33Å; L14-P16 VanDerWaalsContact O-N 3.13Å; L14-H17 PolarHBondContact O-N 2.92Å; L14-L18 HydrophobicContact CB-CD1 3.84Å; L14-L84 HydrophobicContact CD1-CD1 4.4Å; L14-L84 HydrophobicContact CD1-CD2 4.46Å
15N95.4Very high91Very high38 Ų3887.3 Ų87.320%0.20346%0.463CS..G310 helixtrans-45.3-43-176.7-81.43.2000115.2I11 H17 L18 I19 Y26I11-N15 PolarHBondContact O-N 3.01Å; I11-N15 PolarHBondContact O-OD1 3.06Å; N15-H17 PolarHBondContact O-N 3.08Å; N15-L18 PolarHBondContact O-N 2.83Å; N15-I19 HydrophobicContact CB-CG2 4.5Å; N15-I19 WeakPolarHBondContact O-CG1 3.07Å; N15-I19 WeakPolarHBondContact O-CG2 3.45Å; N15-I19 PolarHBondContact O-N 3.31Å; N15-I19 VanDerWaalsContact O-N 3.15Å; N15-Y26 WeakPolarHBondContact OD1-CE1 3.39Å; N15-Y26 PolarHBondContact OD1-OH 3.35Å
16P96.1Very high92.9Very high91 Ų9181.1 Ų81.159%0.59144%0.44SS*.G310 helixtrans-56.8-19.9177.8-26.836.6000115.1L14L14-P16 VanDerWaalsContact C-N 3.33Å; L14-P16 VanDerWaalsContact O-N 3.13Å
17H96.1Very high94.4Very high138 Ų13876.7 Ų76.764%0.63941%0.411SS*.G310 helixtrans-102.4-1.6178.3-52-61.1000113.5L14 N15L14-H17 PolarHBondContact O-N 2.92Å; N15-H17 PolarHBondContact O-N 3.08Å
18L97.7Very high95.5Very high5 Ų573.4 Ų73.43%0.02639%0.39CS..THydrogen-bonded Turntrans-123.6-7.4-172.4-55.6176.7000113.7L14 N15 Y26 F27 I80 V81 L84 V85L14-L18 HydrophobicContact CB-CD1 3.84Å; N15-L18 PolarHBondContact O-N 2.83Å; L18-Y26 HydrophobicContact CB-CD1 4.08Å; L18-Y26 HydrophobicContact CB-CE1 4.45Å; L18-Y26 CarbonylContact O-C 3.51Å; L18-Y26 VanDerWaalsContact O-CA 3.29Å; L18-Y26 WeakPolarHBondContact O-CA 3.42Å; L18-F27 VanDerWaalsContact C-CD2 3.45Å; L18-F27 VanDerWaalsContact O-CD2 3.23Å; L18-F27 WeakPolarHBondContact O-CD2 3.42Å; L18-F27 PolarHBondContact O-N 2.87Å; L18-I80 HydrophobicContact CD2-CG2 4.4Å; L18-V81 HydrophobicContact CB-CG2 4.38Å; L18-V81 HydrophobicContact CD2-CB 4.46Å; L18-V81 HydrophobicContact CD2-CG2 3.64Å; L18-L84 HydrophobicContact CD1-CB 4.18Å; L18-L84 HydrophobicContact CD1-CD1 4.32Å; L18-L84 HydrophobicContact CD2-CD1 4.1Å; L18-V85 HydrophobicContact CD1-CG2 4.12Å
19I98Very high96.2Very high63 Ų6364 Ų6432%0.32336%0.357SS..BIsolated β-bridgetrans-106144.5-177.867.5-173.5000113.3N15 G25 Y26 F27N15-I19 HydrophobicContact CB-CG2 4.5Å; N15-I19 WeakPolarHBondContact O-CG1 3.07Å; N15-I19 WeakPolarHBondContact O-CG2 3.45Å; N15-I19 PolarHBondContact O-N 3.31Å; N15-I19 VanDerWaalsContact O-N 3.15Å; I19-G25 CarbonylContact C-O 3.57Å; I19-G25 WeakPolarHBondContact CA-O 3.21Å; I19-Y26 HydrophobicContact CG2-CD1 3.95Å; I19-Y26 HydrophobicContact CG2-CE1 4.2Å; I19-F27 WeakPolarHBondContact O-CZ 3.39Å
20C98.6Very high96.7Very high0 Ų059.2 Ų59.20%033%0.334CS..  trans-89.2116.3174.4178.70000110.8L22 C23 G24 G25 F27 C41C20-L22 PolarHBondContact O-N 2.81Å; C20-L22 VanDerWaalsContact O-N 3.11Å; C20-C23 PolarHBondContact O-N 3.37Å; C20-C23 VanDerWaalsContact O-N 3.09Å; C20-G24 PolarHBondContact O-N 2.92Å; C20-G25 PolarHBondContact N-O 2.67Å; C20-F27 HydrophobicContact CB-CD1 3.76Å; C20-F27 HydrophobicContact CB-CE1 3.72Å; C20-C41 WeakPolarHBondContact CB-SG 3.45Å; C20-C41 PolarHBondContact SG-N 3.07Å
21V98Very high97Very high96 Ų9653 Ų5358%0.58231%0.307SS*.THydrogen-bonded Turntrans-57-27.8179.567.90000113.8C23 F40 I57V21-C23 VanDerWaalsContact C-N 3.31Å; V21-C23 PolarHBondContact O-N 2.76Å; V21-F40 HydrophobicContact CG1-CD1 4.19Å; V21-F40 HydrophobicContact CG1-CE1 3.69Å; V21-I57 HydrophobicContact CG1-CD1 3.88Å; V21-I57 HydrophobicContact CG1-CG1 3.92Å
22L98.3Very high97.3Very high59 Ų5951 Ų5131%0.30930%0.297SS..THydrogen-bonded Turntrans-74.2-13.8179.9-68.3175.4000114.5C20 F40 C44 I45 Y48 P56C20-L22 PolarHBondContact O-N 2.81Å; C20-L22 VanDerWaalsContact O-N 3.11Å; L22-F40 HydrophobicContact CD1-CB 4.42Å; L22-F40 HydrophobicContact CD1-CD1 3.54Å; L22-F40 HydrophobicContact CD1-CE1 4.11Å; L22-F40 HydrophobicContact CD1-CG 4.16Å; L22-F40 HydrophobicContact CG-CD1 3.75Å; L22-F40 HydrophobicContact CG-CE1 4.08Å; L22-C44 HydrophobicContact CB-CB 3.84Å; L22-C44 HydrophobicContact CD1-CB 3.86Å; L22-I45 HydrophobicContact CD1-CB 4.48Å; L22-I45 HydrophobicContact CD1-CD1 4.41Å; L22-Y48 HydrophobicContact CD2-CD2 4.04Å; L22-Y48 HydrophobicContact CD2-CG 4.49Å; L22-P56 HydrophobicContact CD1-CG 4.23Å; L22-P56 HydrophobicContact CD2-CB 3.93Å; L22-P56 HydrophobicContact CD2-CG 4.06Å; L22-P56 HydrophobicContact CG-CG 4.44Å
23C98.1Very high97.5Very high71 Ų7146.7 Ų46.748%0.4827%0.271SS..THydrogen-bonded Turntrans-141.4-5.7-179.766.70000115.4C20 V21 G25C20-C23 PolarHBondContact O-N 3.37Å; C20-C23 VanDerWaalsContact O-N 3.09Å; V21-C23 VanDerWaalsContact C-N 3.31Å; V21-C23 PolarHBondContact O-N 2.76Å; C23-G25 PolarHBondContact O-N 3.23Å; C23-G25 VanDerWaalsContact O-N 3.08Å
24G97.4Very high97.6Very high59 Ų5945.4 Ų45.461%0.60827%0.266SS*.SBendtrans71.6-8.1-178.900000115.5C20C20-G24 PolarHBondContact O-N 2.92Å
25G97.7Very high97.7Very high33 Ų3348.1 Ų48.134%0.3428%0.278SS..SBendtrans-89.4169176.300000113.5I19 C20 C23I19-G25 CarbonylContact C-O 3.57Å; I19-G25 WeakPolarHBondContact CA-O 3.21Å; C20-G25 PolarHBondContact N-O 2.67Å; C23-G25 PolarHBondContact O-N 3.23Å; C23-G25 VanDerWaalsContact O-N 3.08Å
26Y98.4Very high97.8Very high68 Ų6847.7 Ų47.727%0.26728%0.278SS..BIsolated β-bridgetrans-60.4154.8171.4-61.6-68.5000112.4N15 L18 I19 I28 V85 L88N15-Y26 WeakPolarHBondContact OD1-CE1 3.39Å; N15-Y26 PolarHBondContact OD1-OH 3.35Å; L18-Y26 HydrophobicContact CB-CD1 4.08Å; L18-Y26 HydrophobicContact CB-CE1 4.45Å; L18-Y26 CarbonylContact O-C 3.51Å; L18-Y26 VanDerWaalsContact O-CA 3.29Å; L18-Y26 WeakPolarHBondContact O-CA 3.42Å; I19-Y26 HydrophobicContact CG2-CD1 3.95Å; I19-Y26 HydrophobicContact CG2-CE1 4.2Å; Y26-I28 PolarHBondContact O-N 2.93Å; Y26-V85 HydrophobicContact CD1-CG1 4.41Å; Y26-V85 HydrophobicContact CD1-CG2 3.71Å; Y26-V85 HydrophobicContact CD2-CG1 3.84Å; Y26-V85 HydrophobicContact CE1-CG1 4.17Å; Y26-V85 HydrophobicContact CE1-CG2 3.73Å; Y26-V85 HydrophobicContact CE2-CG1 3.57Å; Y26-V85 HydrophobicContact CG-CG1 4.25Å; Y26-V85 HydrophobicContact CG-CG2 4.12Å; Y26-L88 HydrophobicContact CD2-CD1 4.14Å; Y26-L88 HydrophobicContact CD2-CD2 4.37Å; Y26-L88 HydrophobicContact CG-CD2 4.16Å
27F98.5Very high97.9Very high12 Ų1249.8 Ų49.85%0.05328%0.283CS..PPolyproline II helixtrans-60.2124.9175.2-63.6-60.9000112.3L18 I19 C20 A30 S39 L77 Q78 V81L18-F27 VanDerWaalsContact C-CD2 3.45Å; L18-F27 VanDerWaalsContact O-CD2 3.23Å; L18-F27 WeakPolarHBondContact O-CD2 3.42Å; L18-F27 PolarHBondContact O-N 2.87Å; I19-F27 WeakPolarHBondContact O-CZ 3.39Å; C20-F27 HydrophobicContact CB-CD1 3.76Å; C20-F27 HydrophobicContact CB-CE1 3.72Å; F27-A30 HydrophobicContact CB-CB 4.07Å; F27-A30 HydrophobicContact CG-CB 4.49Å; F27-S39 VanDerWaalsContact CE1-O 3.26Å; F27-S39 WeakPolarHBondContact CE1-O 3.37Å; F27-L77 HydrophobicContact CD2-CD1 4.46Å; F27-L77 HydrophobicContact CD2-CD2 4.08Å; F27-L77 HydrophobicContact CD2-CG 4.27Å; F27-L77 HydrophobicContact CE2-CD2 4.03Å; F27-Q78 PolarHBondContact O-NE2 2.72Å; F27-Q78 PolarHBondContact O-OE1 2.79Å; F27-V81 HydrophobicContact CB-CG1 4.33Å; F27-V81 HydrophobicContact CB-CG2 4.16Å; F27-V81 HydrophobicContact CD2-CG2 3.85Å
28I97.6Very high98Very high34 Ų3445.9 Ų45.917%0.17427%0.265CS..SBendtrans-123.4128.1169-57.8-62.3000107.3Y26 C41 Y82 L88 E92Y26-I28 PolarHBondContact O-N 2.93Å; I28-C41 PolarHBondContact N-SG 3.4Å; I28-C41 VanDerWaalsContact N-SG 3.37Å; I28-C41 VanDerWaalsContact O-CA 3.29Å; I28-C41 WeakPolarHBondContact O-CA 3.45Å; I28-C41 VanDerWaalsContact O-CB 3.26Å; I28-C41 WeakPolarHBondContact O-CB 3.26Å; I28-Y82 HydrophobicContact CD1-CE1 3.96Å; I28-L88 HydrophobicContact CD1-CD1 4.17Å; I28-L88 HydrophobicContact CD1-CG 4.32Å; I28-E92 HydrophobicContact CD1-CB 4.24Å; I28-E92 HydrophobicContact CD1-CG 4.07Å; I28-E92 HydrophobicContact CG2-CG 4.07Å; I28-E92 WeakPolarHBondContact CG2-OE1 3.41Å
29D96.8Very high98.1Very high43 Ų4346.9 Ų46.923%0.2327%0.272CS..SBendtrans44.861-165.7-65.27.5000111.3T31 K42 R96D29-T31 PolarHBondContact O-N 2.76Å; D29-T31 PolarHBondContact O-OG1 3.3Å; D29-K42 HydrophobicContact CB-CB 3.6Å; D29-K42 HydrophobicContact CB-CD 3.66Å; D29-K42 HydrophobicContact CB-CG 4.36Å; D29-K42 WeakPolarHBondContact O-CB 3.44Å; D29-K42 PolarHBondContact O-N 3.45Å; D29-K42 WeakPolarHBondContact OD2-CD 3.45Å; D29-K42 IonicContact OD2-NZ 3.09Å; D29-K42 PolarHBondContact OD2-NZ 2.71Å; D29-K42 VanDerWaalsContact OD2-NZ 3.09Å; D29-R96 IonicContact OD1-CZ 3.16Å; D29-R96 IonicContact OD1-NH1 2.66Å; D29-R96 IonicContact OD1-NH2 2.84Å; D29-R96 PolarHBondContact OD1-NH2 3.08Å; D29-R96 IonicContact OD2-NH2 2.71Å
30A98.4Very high98.1Very high3 Ų343.9 Ų43.93%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-48.3131.3-178.700000111.3F27 F40 D74 L77 Q78F27-A30 HydrophobicContact CB-CB 4.07Å; F27-A30 HydrophobicContact CG-CB 4.49Å; A30-F40 CarbonylContact C-O 3.6Å; A30-F40 WeakPolarHBondContact CA-O 3.46Å; A30-D74 HydrophobicContact CB-CB 4.29Å; A30-D74 PolarHBondContact O-N 3.19Å; A30-L77 HydrophobicContact CB-CB 4.29Å; A30-L77 HydrophobicContact CB-CD2 4.19Å; A30-L77 HydrophobicContact CB-CG 4.19Å; A30-Q78 HydrophobicContact CB-CB 3.96Å
31T98.6Very high98.1Very high5 Ų544.3 Ų44.33%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-140.4120.3-172.6-64.60000108.8D29 F40 K42 I45 I71 R72D29-T31 PolarHBondContact O-N 2.76Å; D29-T31 PolarHBondContact O-OG1 3.3Å; T31-F40 PolarHBondContact N-O 3.23Å; T31-F40 PolarHBondContact O-N 3.48Å; T31-K42 WeakPolarHBondContact OG1-CA 3.4Å; T31-K42 WeakPolarHBondContact OG1-CB 3.35Å; T31-I45 HydrophobicContact CG2-CG2 3.72Å; T31-I71 HydrophobicContact CG2-CB 3.94Å; T31-I71 HydrophobicContact CG2-CD1 4.1Å; T31-I71 HydrophobicContact CG2-CG1 4.25Å; T31-R72 CarbonylContact C-O 3.58Å; T31-R72 VanDerWaalsContact CA-O 3.32Å; T31-R72 WeakPolarHBondContact CA-O 3.42Å
32T98.6Very high98.1Very high14 Ų1443.6 Ų43.69%0.08625%0.249CC..EExtended strand (participates in β ladder)trans-109.4136.3-170.4-60.20000110.5L37 H38 S39 I71 R72 D74T32-L37 HydrophobicContact CG2-CB 4.47Å; T32-L37 HydrophobicContact CG2-CD2 4.37Å; T32-H38 WeakPolarHBondContact CA-O 3.46Å; T32-S39 PolarHBondContact OG1-OG 2.89Å; T32-I71 WeakPolarHBondContact O-CA 3.36Å; T32-R72 PolarHBondContact N-O 3.38Å; T32-R72 PolarHBondContact O-N 2.71Å; T32-D74 WeakPolarHBondContact OG1-CB 3.44Å; T32-D74 PolarHBondContact OG1-OD2 3.17Å
33I98.5Very high98Very high1 Ų146.9 Ų46.91%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-76.1126.1172.4-62.4171.5000108.6E35 L37 H38 F40 I45 C55 V62 I71I33-E35 HydrophobicContact CG2-CB 4.46Å; I33-L37 VanDerWaalsContact O-CA 3.25Å; I33-L37 WeakPolarHBondContact O-CA 3.31Å; I33-L37 PolarHBondContact O-N 2.91Å; I33-H38 PolarHBondContact N-O 3.41Å; I33-F40 HydrophobicContact CD1-CD2 4.29Å; I33-F40 HydrophobicContact CD1-CE2 3.56Å; I33-F40 HydrophobicContact CD1-CZ 4.36Å; I33-F40 HydrophobicContact CG1-CD2 4.43Å; I33-F40 HydrophobicContact CG1-CE2 4.09Å; I33-I45 HydrophobicContact CD1-CD1 4.17Å; I33-C55 HydrophobicContact CD1-CB 4.13Å; I33-V62 HydrophobicContact CD1-CG2 3.96Å; I33-V62 HydrophobicContact CG1-CG2 4.5Å; I33-V62 HydrophobicContact CG2-CG1 4.11Å; I33-V62 HydrophobicContact CG2-CG2 4.04Å; I33-I71 HydrophobicContact CG1-CG2 4.03Å
34I97.6Very high98.1Very high72 Ų7245.1 Ų45.137%0.36925%0.252SS..THydrogen-bonded Turntrans-63.5-47.3-175.6-57.3171.7000111.3C36 N70 R72I34-C36 PolarHBondContact O-N 2.9Å; I34-C36 VanDerWaalsContact O-N 3.15Å; I34-N70 WeakPolarHBondContact CG1-O 3.45Å; I34-N70 PolarHBondContact N-O 2.93Å; I34-R72 HydrophobicContact CD1-CG 3.84Å; I34-R72 HydrophobicContact CG1-CG 3.93Å
35E97.4Very high98.1Very high106 Ų10642.3 Ų42.350%0.49522%0.223SC..THydrogen-bonded Turntrans-65.9-17.5-171-52.5-59141.700114.8I33 V60 V62 N70I33-E35 HydrophobicContact CG2-CB 4.46Å; E35-V60 HydrophobicContact CB-CG1 4.25Å; E35-V62 WeakPolarHBondContact CG-O 3.5Å; E35-N70 PolarHBondContact OE1-ND2 3.04Å
36C97.9Very high98.1Very high29 Ų2942.8 Ų42.820%0.19622%0.219CC..THydrogen-bonded Turntrans-144.34.1-175.469.50000115I34 H38 V60I34-C36 PolarHBondContact O-N 2.9Å; I34-C36 VanDerWaalsContact O-N 3.15Å; C36-H38 PolarHBondContact O-N 3.29Å; C36-H38 PolarHBondContact SG-ND1 3.2Å; C36-V60 HydrophobicContact CB-CB 4.3Å; C36-V60 HydrophobicContact CB-CG1 4.35Å; C36-V60 HydrophobicContact CB-CG2 4.47Å
37L97.9Very high98.1Very high134 Ų13447.2 Ų47.270%0.70224%0.236SC*.  trans52.922.1179.3-55.6-178.5000116.3T32 I33T32-L37 HydrophobicContact CG2-CB 4.47Å; T32-L37 HydrophobicContact CG2-CD2 4.37Å; I33-L37 VanDerWaalsContact O-CA 3.25Å; I33-L37 WeakPolarHBondContact O-CA 3.31Å; I33-L37 PolarHBondContact O-N 2.91Å
38H98.6Very high98.1Very high56 Ų5649.9 Ų49.926%0.25925%0.246SC..  trans-81.5132.8172.8-73.1130.7000111.4T32 I33 C36 F40 C55 I57 C58T32-H38 WeakPolarHBondContact CA-O 3.46Å; I33-H38 PolarHBondContact N-O 3.41Å; C36-H38 PolarHBondContact O-N 3.29Å; C36-H38 PolarHBondContact SG-ND1 3.2Å; H38-F40 HydrophobicContact CB-CE2 3.76Å; H38-F40 HydrophobicContact CB-CZ 4.01Å; H38-F40 WeakPolarHBondContact O-CE2 3.16Å; H38-C55 PolarHBondContact ND1-SG 2.76Å; H38-C55 VanDerWaalsContact ND1-SG 3.36Å; H38-I57 HydrophobicContact CB-CD1 4.14Å; H38-C58 PolarHBondContact CE1-SG 3.35Å; H38-C58 PolarHBondContact ND1-SG 3.06Å; H38-C58 VanDerWaalsContact ND1-SG 3.36Å
39S98.6Very high98.1Very high26 Ų2648.6 Ų48.618%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-110.2146.1-172.8-51.30000113F27 T32 L77F27-S39 VanDerWaalsContact CE1-O 3.26Å; F27-S39 WeakPolarHBondContact CE1-O 3.37Å; T32-S39 PolarHBondContact OG1-OG 2.89Å; S39-L77 WeakPolarHBondContact OG-CD2 3.24Å
40F98.8Very high98.1Very high0 Ų053.1 Ų53.10%026%0.259CS..EExtended strand (participates in β ladder)trans-148165.8-174.9-55.7-87.2000110.3V21 L22 A30 T31 I33 H38 I45 P56 I57V21-F40 HydrophobicContact CG1-CD1 4.19Å; V21-F40 HydrophobicContact CG1-CE1 3.69Å; L22-F40 HydrophobicContact CD1-CB 4.42Å; L22-F40 HydrophobicContact CD1-CD1 3.54Å; L22-F40 HydrophobicContact CD1-CE1 4.11Å; L22-F40 HydrophobicContact CD1-CG 4.16Å; L22-F40 HydrophobicContact CG-CD1 3.75Å; L22-F40 HydrophobicContact CG-CE1 4.08Å; A30-F40 CarbonylContact C-O 3.6Å; A30-F40 WeakPolarHBondContact CA-O 3.46Å; T31-F40 PolarHBondContact N-O 3.23Å; T31-F40 PolarHBondContact O-N 3.48Å; I33-F40 HydrophobicContact CD1-CD2 4.29Å; I33-F40 HydrophobicContact CD1-CE2 3.56Å; I33-F40 HydrophobicContact CD1-CZ 4.36Å; I33-F40 HydrophobicContact CG1-CD2 4.43Å; I33-F40 HydrophobicContact CG1-CE2 4.09Å; H38-F40 HydrophobicContact CB-CE2 3.76Å; H38-F40 HydrophobicContact CB-CZ 4.01Å; H38-F40 WeakPolarHBondContact O-CE2 3.16Å; F40-I45 HydrophobicContact CB-CB 3.65Å; F40-I45 HydrophobicContact CB-CG1 4.36Å; F40-I45 HydrophobicContact CB-CG2 3.99Å; F40-I45 HydrophobicContact CD2-CB 4.16Å; F40-I45 HydrophobicContact CD2-CD1 3.85Å; F40-I45 HydrophobicContact CD2-CG1 3.91Å; F40-I45 HydrophobicContact CE2-CD1 4.1Å; F40-I45 HydrophobicContact CG-CB 4Å; F40-I45 HydrophobicContact CG-CD1 4.16Å; F40-I45 HydrophobicContact CG-CG1 4.23Å; F40-P56 HydrophobicContact CE1-CB 3.92Å; F40-P56 HydrophobicContact CE1-CG 3.77Å; F40-P56 HydrophobicContact CZ-CB 4.1Å; F40-P56 HydrophobicContact CZ-CG 3.78Å; F40-I57 HydrophobicContact CE1-CD1 3.91Å; F40-I57 HydrophobicContact CE1-CG1 4.13Å; F40-I57 HydrophobicContact CZ-CD1 3.74Å; F40-I57 HydrophobicContact CZ-CG1 3.97Å
41C98.7Very high97.9Very high9 Ų959.2 Ų59.26%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-68.7134.7164.7-54.20000110C20 I28 M43 C44 I45C20-C41 WeakPolarHBondContact CB-SG 3.45Å; C20-C41 PolarHBondContact SG-N 3.07Å; I28-C41 PolarHBondContact N-SG 3.4Å; I28-C41 VanDerWaalsContact N-SG 3.37Å; I28-C41 VanDerWaalsContact O-CA 3.29Å; I28-C41 WeakPolarHBondContact O-CA 3.45Å; I28-C41 VanDerWaalsContact O-CB 3.26Å; I28-C41 WeakPolarHBondContact O-CB 3.26Å; C41-M43 VanDerWaalsContact C-N 3.34Å; C41-M43 PolarHBondContact O-N 3.42Å; C41-C44 HydrophobicContact CB-CB 4.24Å; C41-C44 WeakPolarHBondContact O-CA 3.25Å; C41-C44 WeakPolarHBondContact O-CB 3.23Å; C41-C44 PolarHBondContact O-N 2.96Å; C41-I45 PolarHBondContact O-N 2.86Å; C41-I45 VanDerWaalsContact O-N 3.08Å
42K98.1Very high97.8Very high82 Ų8260 Ų6036%0.35730%0.302SS..Hα-helixtrans-40.1-55.6178.6177178.4168.6-167.30113.6D29 T31 C44 I45 V46D29-K42 HydrophobicContact CB-CB 3.6Å; D29-K42 HydrophobicContact CB-CD 3.66Å; D29-K42 HydrophobicContact CB-CG 4.36Å; D29-K42 WeakPolarHBondContact O-CB 3.44Å; D29-K42 PolarHBondContact O-N 3.45Å; D29-K42 WeakPolarHBondContact OD2-CD 3.45Å; D29-K42 IonicContact OD2-NZ 3.09Å; D29-K42 PolarHBondContact OD2-NZ 2.71Å; D29-K42 VanDerWaalsContact OD2-NZ 3.09Å; T31-K42 WeakPolarHBondContact OG1-CA 3.4Å; T31-K42 WeakPolarHBondContact OG1-CB 3.35Å; K42-C44 VanDerWaalsContact C-N 3.3Å; K42-C44 PolarHBondContact O-N 3.49Å; K42-I45 PolarHBondContact O-N 2.79Å; K42-V46 WeakPolarHBondContact O-CB 3.35Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.37Å
43M96.9Very high97.8Very high128 Ų12863.4 Ų63.463%0.63132%0.316SS*.Hα-helixtrans-65.5-30.9-177.5-168.760.169.900113.1C41 R47C41-M43 VanDerWaalsContact C-N 3.34Å; C41-M43 PolarHBondContact O-N 3.42Å; M43-R47 WeakPolarHBondContact O-CB 3.5Å; M43-R47 PolarHBondContact O-N 3.03Å
44C98.6Very high97.8Very high34 Ų3468.4 Ų68.423%0.2334%0.335CS..Hα-helixtrans-73.1-48.5178.7-62.50000111.4L22 C41 K42 Y48L22-C44 HydrophobicContact CB-CB 3.84Å; L22-C44 HydrophobicContact CD1-CB 3.86Å; C41-C44 HydrophobicContact CB-CB 4.24Å; C41-C44 WeakPolarHBondContact O-CA 3.25Å; C41-C44 WeakPolarHBondContact O-CB 3.23Å; C41-C44 PolarHBondContact O-N 2.96Å; K42-C44 VanDerWaalsContact C-N 3.3Å; K42-C44 PolarHBondContact O-N 3.49Å; C44-Y48 WeakPolarHBondContact O-CB 3.49Å; C44-Y48 PolarHBondContact O-N 2.78Å
45I98.4Very high97.8Very high0 Ų065 Ų650%032%0.317CS..Hα-helixtrans-75-34-177.7-17059000112.7L22 T31 I33 F40 C41 K42 Y48 L49 P56L22-I45 HydrophobicContact CD1-CB 4.48Å; L22-I45 HydrophobicContact CD1-CD1 4.41Å; T31-I45 HydrophobicContact CG2-CG2 3.72Å; I33-I45 HydrophobicContact CD1-CD1 4.17Å; F40-I45 HydrophobicContact CB-CB 3.65Å; F40-I45 HydrophobicContact CB-CG1 4.36Å; F40-I45 HydrophobicContact CB-CG2 3.99Å; F40-I45 HydrophobicContact CD2-CB 4.16Å; F40-I45 HydrophobicContact CD2-CD1 3.85Å; F40-I45 HydrophobicContact CD2-CG1 3.91Å; F40-I45 HydrophobicContact CE2-CD1 4.1Å; F40-I45 HydrophobicContact CG-CB 4Å; F40-I45 HydrophobicContact CG-CD1 4.16Å; F40-I45 HydrophobicContact CG-CG1 4.23Å; C41-I45 PolarHBondContact O-N 2.86Å; C41-I45 VanDerWaalsContact O-N 3.08Å; K42-I45 PolarHBondContact O-N 2.79Å; I45-Y48 HydrophobicContact CD1-CD1 4.3Å; I45-Y48 PolarHBondContact O-N 3.46Å; I45-L49 HydrophobicContact CD1-CD1 3.85Å; I45-L49 HydrophobicContact CD1-CD2 4.35Å; I45-L49 HydrophobicContact CD1-CG 3.85Å; I45-L49 HydrophobicContact CG1-CD1 3.69Å; I45-L49 HydrophobicContact CG1-CG 4.14Å; I45-L49 WeakPolarHBondContact O-CB 3.11Å; I45-L49 WeakPolarHBondContact O-CG 3.31Å; I45-L49 PolarHBondContact O-N 2.9Å; I45-P56 HydrophobicContact CD1-CG 4.06Å
46V98.1Very high97.8Very high42 Ų4261.6 Ų61.626%0.25531%0.305SS..Hα-helixtrans-59.5-51.4172.1170.60000110.2K42 Y48 L49 E50 L68 I71K42-V46 WeakPolarHBondContact O-CB 3.35Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.37Å; V46-Y48 PolarHBondContact O-N 2.78Å; V46-L49 PolarHBondContact O-N 2.81Å; V46-E50 PolarHBondContact O-N 3.2Å; V46-L68 HydrophobicContact CB-CD2 4.4Å; V46-L68 HydrophobicContact CG1-CD2 4.25Å; V46-L68 HydrophobicContact CG2-CD2 4.23Å; V46-I71 HydrophobicContact CG2-CD1 4.09Å
47R98.1Very high97.8Very high161 Ų16164.3 Ų64.361%0.60832%0.316SS*.Hα-helixtrans-62.5-38.5178.5-171.7-177.2-63169.60.8113.2M43 L49 E50M43-R47 WeakPolarHBondContact O-CB 3.5Å; M43-R47 PolarHBondContact O-N 3.03Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-E50 WeakPolarHBondContact O-CB 3.43Å; R47-E50 PolarHBondContact O-N 3.34Å
48Y98.2Very high97.8Very high68 Ų6860.3 Ų60.327%0.26730%0.299SS..Hα-helixtrans-65.8-37.8176179.2-84.2000111.9L22 C44 I45 V46 E50 T51 S52 Y54 P56L22-Y48 HydrophobicContact CD2-CD2 4.04Å; L22-Y48 HydrophobicContact CD2-CG 4.49Å; C44-Y48 WeakPolarHBondContact O-CB 3.49Å; C44-Y48 PolarHBondContact O-N 2.78Å; I45-Y48 HydrophobicContact CD1-CD1 4.3Å; I45-Y48 PolarHBondContact O-N 3.46Å; V46-Y48 PolarHBondContact O-N 2.78Å; Y48-E50 PolarHBondContact O-N 2.99Å; Y48-T51 PolarHBondContact O-N 2.96Å; Y48-T51 PolarHBondContact O-OG1 3.34Å; Y48-S52 WeakPolarHBondContact CE1-OG 3.43Å; Y48-S52 PolarHBondContact O-N 3.04Å; Y48-S52 PolarHBondContact OH-OG 3.01Å; Y48-Y54 WeakPolarHBondContact CE1-O 3.39Å; Y48-P56 HydrophobicContact CD1-CG 3.68Å; Y48-P56 HydrophobicContact CD2-CG 4.26Å; Y48-P56 HydrophobicContact CE1-CB 4.44Å; Y48-P56 HydrophobicContact CE1-CG 3.59Å; Y48-P56 HydrophobicContact CE2-CB 4.4Å; Y48-P56 HydrophobicContact CE2-CG 4.17Å; Y48-P56 HydrophobicContact CG-CG 4.04Å
49L97.6Very high97.8Very high8 Ų863.2 Ų63.24%0.04232%0.317CS..THydrogen-bonded Turntrans-81.23.5-180-64.2175.3000114.2I45 V46 R47 S52 V62 P67 L68 I71I45-L49 HydrophobicContact CD1-CD1 3.85Å; I45-L49 HydrophobicContact CD1-CD2 4.35Å; I45-L49 HydrophobicContact CD1-CG 3.85Å; I45-L49 HydrophobicContact CG1-CD1 3.69Å; I45-L49 HydrophobicContact CG1-CG 4.14Å; I45-L49 WeakPolarHBondContact O-CB 3.11Å; I45-L49 WeakPolarHBondContact O-CG 3.31Å; I45-L49 PolarHBondContact O-N 2.9Å; V46-L49 PolarHBondContact O-N 2.81Å; R47-L49 VanDerWaalsContact C-N 3.34Å; L49-S52 WeakPolarHBondContact CA-O 3.47Å; L49-V62 HydrophobicContact CD1-CG1 4.3Å; L49-V62 HydrophobicContact CD2-CB 4.48Å; L49-V62 HydrophobicContact CD2-CG2 4.03Å; L49-P67 HydrophobicContact CB-CB 4.04Å; L49-P67 HydrophobicContact CB-CG 3.91Å; L49-P67 HydrophobicContact CD1-CB 4.14Å; L49-P67 HydrophobicContact CD2-CB 3.92Å; L49-P67 HydrophobicContact CD2-CG 4.46Å; L49-P67 HydrophobicContact CG-CB 4.24Å; L49-P67 VanDerWaalsContact O-CG 3.32Å; L49-P67 WeakPolarHBondContact O-CG 3.19Å; L49-L68 HydrophobicContact CB-CD2 4Å; L49-L68 HydrophobicContact CD1-CD2 4.48Å; L49-I71 HydrophobicContact CD1-CD1 4.43Å; L49-I71 HydrophobicContact CD1-CG2 3.74Å
50E96.1Very high97.8Very high138 Ų13865 Ų6565%0.64533%0.327SS*.THydrogen-bonded Turntrans-76.1-29.5164-70.2161.7-175.500111.6V46 R47 Y48V46-E50 PolarHBondContact O-N 3.2Å; R47-E50 WeakPolarHBondContact O-CB 3.43Å; R47-E50 PolarHBondContact O-N 3.34Å; Y48-E50 PolarHBondContact O-N 2.99Å
51T95.8Very high97.7Very high130 Ų13068.7 Ų68.780%0.79834%0.343SS*.THydrogen-bonded Turntrans-110.3-27.1-177.761.50000113.7Y48Y48-T51 PolarHBondContact O-N 2.96Å; Y48-T51 PolarHBondContact O-OG1 3.34Å
52S96.5Very high97.7Very high23 Ų2368.3 Ų68.316%0.16134%0.341CS..  trans-119.7159-179.3-177.80000112.6Y48 L49 Y54Y48-S52 WeakPolarHBondContact CE1-OG 3.43Å; Y48-S52 PolarHBondContact O-N 3.04Å; Y48-S52 PolarHBondContact OH-OG 3.01Å; L49-S52 WeakPolarHBondContact CA-O 3.47Å; S52-Y54 PolarHBondContact OG-N 2.92Å
53K97.1Very high97.6Very high85 Ų8566.8 Ų66.837%0.3734%0.335SS..SBendtrans-117.86.6173.3-64.6-178.1179.5175.80113.2Q61 V62 K64 T65 P67K53-Q61 CarbonylContact O-C 3.57Å; K53-V62 PolarHBondContact O-N 3.1Å; K53-K64 PolarHBondContact NZ-O 2.92Å; K53-T65 WeakPolarHBondContact CE-O 3.31Å; K53-P67 HydrophobicContact CG-CG 4.31Å
54Y98.3Very high97.4Very high105 Ų10568.6 Ų68.641%0.41234%0.339SS..BIsolated β-bridgetrans-116159.6-172.9-58.7-79.2000110.6Y48 S52 D59 V60 Q61Y48-Y54 WeakPolarHBondContact CE1-O 3.39Å; S52-Y54 PolarHBondContact OG-N 2.92Å; Y54-D59 VanDerWaalsContact CD1-O 3.24Å; Y54-D59 WeakPolarHBondContact CD1-O 3.22Å; Y54-V60 CarbonylContact C-O 3.49Å; Y54-V60 WeakPolarHBondContact CA-O 3.37Å; Y54-Q61 HydrophobicContact CD1-CB 3.78Å; Y54-Q61 HydrophobicContact CD1-CG 4.16Å; Y54-Q61 HydrophobicContact CE1-CB 3.68Å; Y54-Q61 HydrophobicContact CE1-CG 3.85Å; Y54-Q61 PolarHBondContact OH-NE2 3.23Å
55C98.4Very high97.1Very high0 Ų071.4 Ų71.40%036%0.356CS..  trans-73.3129.7179.9179.90000111.2I33 H38 I57 C58 D59 V60I33-C55 HydrophobicContact CD1-CB 4.13Å; H38-C55 PolarHBondContact ND1-SG 2.76Å; H38-C55 VanDerWaalsContact ND1-SG 3.36Å; C55-I57 PolarHBondContact O-N 3.5Å; C55-C58 PolarHBondContact O-N 2.83Å; C55-C58 VanDerWaalsContact SG-SG 3.63Å; C55-D59 WeakPolarHBondContact O-CA 3.29Å; C55-D59 PolarHBondContact O-N 3.17Å; C55-V60 HydrophobicContact CB-CB 4.49Å; C55-V60 PolarHBondContact N-O 3.49Å
56P98Very high96.9Very high35 Ų3578 Ų7823%0.22738%0.384CS..THydrogen-bonded Turntrans-59-5.3177-2228.1000117.3L22 F40 I45 Y48L22-P56 HydrophobicContact CD1-CG 4.23Å; L22-P56 HydrophobicContact CD2-CB 3.93Å; L22-P56 HydrophobicContact CD2-CG 4.06Å; L22-P56 HydrophobicContact CG-CG 4.44Å; F40-P56 HydrophobicContact CE1-CB 3.92Å; F40-P56 HydrophobicContact CE1-CG 3.77Å; F40-P56 HydrophobicContact CZ-CB 4.1Å; F40-P56 HydrophobicContact CZ-CG 3.78Å; I45-P56 HydrophobicContact CD1-CG 4.06Å; Y48-P56 HydrophobicContact CD1-CG 3.68Å; Y48-P56 HydrophobicContact CD2-CG 4.26Å; Y48-P56 HydrophobicContact CE1-CB 4.44Å; Y48-P56 HydrophobicContact CE1-CG 3.59Å; Y48-P56 HydrophobicContact CE2-CB 4.4Å; Y48-P56 HydrophobicContact CE2-CG 4.17Å; Y48-P56 HydrophobicContact CG-CG 4.04Å
57I98Very high96.7Very high86 Ų8676.5 Ų76.544%0.44138%0.375SS..THydrogen-bonded Turntrans-119.4-32.8-173-61.6177.7000112.2V21 H38 F40 C55V21-I57 HydrophobicContact CG1-CD1 3.88Å; V21-I57 HydrophobicContact CG1-CG1 3.92Å; H38-I57 HydrophobicContact CB-CD1 4.14Å; F40-I57 HydrophobicContact CE1-CD1 3.91Å; F40-I57 HydrophobicContact CE1-CG1 4.13Å; F40-I57 HydrophobicContact CZ-CD1 3.74Å; F40-I57 HydrophobicContact CZ-CG1 3.97Å; C55-I57 PolarHBondContact O-N 3.5Å
58C98.2Very high96.6Very high50 Ų5072.9 Ų72.934%0.33837%0.368SS..THydrogen-bonded Turntrans-139.39.3-172.464.70000114.7H38 C55 V60H38-C58 PolarHBondContact CE1-SG 3.35Å; H38-C58 PolarHBondContact ND1-SG 3.06Å; H38-C58 VanDerWaalsContact ND1-SG 3.36Å; C55-C58 PolarHBondContact O-N 2.83Å; C55-C58 VanDerWaalsContact SG-SG 3.63Å; C58-V60 HydrophobicContact CB-CG2 4.48Å; C58-V60 PolarHBondContact O-N 3.16Å
59D97.6Very high96.5Very high118 Ų11874 Ų7463%0.63138%0.378SS*.  trans53.911.3178.4-63.6-56000116.6Y54 C55 Q61Y54-D59 VanDerWaalsContact CD1-O 3.24Å; Y54-D59 WeakPolarHBondContact CD1-O 3.22Å; C55-D59 WeakPolarHBondContact O-CA 3.29Å; C55-D59 PolarHBondContact O-N 3.17Å; D59-Q61 PolarHBondContact O-N 3.27Å
60V98.1Very high96.4Very high64 Ų6475.1 Ų75.139%0.38838%0.384SS..  trans-60.7131.4171.4172.80000109.6E35 C36 Y54 C55 C58 V62E35-V60 HydrophobicContact CB-CG1 4.25Å; C36-V60 HydrophobicContact CB-CB 4.3Å; C36-V60 HydrophobicContact CB-CG1 4.35Å; C36-V60 HydrophobicContact CB-CG2 4.47Å; Y54-V60 CarbonylContact C-O 3.49Å; Y54-V60 WeakPolarHBondContact CA-O 3.37Å; C55-V60 HydrophobicContact CB-CB 4.49Å; C55-V60 PolarHBondContact N-O 3.49Å; C58-V60 HydrophobicContact CB-CG2 4.48Å; C58-V60 PolarHBondContact O-N 3.16Å; V60-V62 PolarHBondContact O-N 2.88Å
61Q97.8Very high96.5Very high76 Ų7669.4 Ų69.436%0.35536%0.358SS..BIsolated β-bridgetrans-67.6115.1179.5-170.5173.998.400110.7K53 Y54 D59K53-Q61 CarbonylContact O-C 3.57Å; Y54-Q61 HydrophobicContact CD1-CB 3.78Å; Y54-Q61 HydrophobicContact CD1-CG 4.16Å; Y54-Q61 HydrophobicContact CE1-CB 3.68Å; Y54-Q61 HydrophobicContact CE1-CG 3.85Å; Y54-Q61 PolarHBondContact OH-NE2 3.23Å; D59-Q61 PolarHBondContact O-N 3.27Å
62V97.5Very high96.6Very high1 Ų169.9 Ų69.91%0.00635%0.345CS..SBendtrans-64.5-45.2-178.1178.20000111I33 E35 L49 K53 V60 P67 N70 I71I33-V62 HydrophobicContact CD1-CG2 3.96Å; I33-V62 HydrophobicContact CG1-CG2 4.5Å; I33-V62 HydrophobicContact CG2-CG1 4.11Å; I33-V62 HydrophobicContact CG2-CG2 4.04Å; E35-V62 WeakPolarHBondContact CG-O 3.5Å; L49-V62 HydrophobicContact CD1-CG1 4.3Å; L49-V62 HydrophobicContact CD2-CB 4.48Å; L49-V62 HydrophobicContact CD2-CG2 4.03Å; K53-V62 PolarHBondContact O-N 3.1Å; V60-V62 PolarHBondContact O-N 2.88Å; V62-P67 HydrophobicContact CB-CB 4.12Å; V62-P67 HydrophobicContact CG1-CB 3.97Å; V62-P67 WeakPolarHBondContact CG1-O 3.36Å; V62-N70 HydrophobicContact CG1-CB 3.98Å; V62-N70 WeakPolarHBondContact O-CB 3.46Å; V62-N70 PolarHBondContact O-ND2 3.36Å; V62-I71 HydrophobicContact CG1-CG2 4.38Å
63H96.7Very high96.7Very high51 Ų5173.5 Ų73.524%0.23637%0.37CS..  trans-166.7147.4172.5-174.6-93.6000110.6T65 K66 N70H63-T65 PolarHBondContact CE1-OG1 2.89Å; H63-T65 VanDerWaalsContact CE1-OG1 3.28Å; H63-T65 PolarHBondContact ND1-N 3.49Å; H63-T65 PolarHBondContact O-N 2.78Å; H63-K66 PolarHBondContact ND1-N 2.9Å; H63-K66 PolarHBondContact ND1-O 2.82Å; H63-N70 HydrophobicContact CB-CB 4.33Å
64K92.6Very high96.7Very high165 Ų16571.7 Ų71.772%0.71736%0.364SS*.SBendtrans-56.6-44.3-174.9-62.3179-179.2-179.20114K53K53-K64 PolarHBondContact NZ-O 2.92Å
65T92.3Very high96.6Very high93 Ų9371.3 Ų71.357%0.57137%0.365SS*.SBendtrans-115.2-63.3-175.654.60000113.2K53 H63 P67K53-T65 WeakPolarHBondContact CE-O 3.31Å; H63-T65 PolarHBondContact CE1-OG1 2.89Å; H63-T65 VanDerWaalsContact CE1-OG1 3.28Å; H63-T65 PolarHBondContact ND1-N 3.49Å; H63-T65 PolarHBondContact O-N 2.78Å; T65-P67 WeakPolarHBondContact O-CD 3.42Å
66K94.6Very high96.5Very high139 Ų13976.2 Ų76.260%0.60440%0.395SS*.  trans-108.490.1-176.4-62177.8178.9-179.30112.6H63 L68 L69H63-K66 PolarHBondContact ND1-N 2.9Å; H63-K66 PolarHBondContact ND1-O 2.82Å; K66-L68 VanDerWaalsContact C-N 3.26Å; K66-L68 PolarHBondContact O-N 2.62Å; K66-L69 HydrophobicContact CB-CD1 3.88Å; K66-L69 HydrophobicContact CB-CG 3.91Å; K66-L69 HydrophobicContact CD-CD1 4.19Å; K66-L69 PolarHBondContact O-N 3.1Å; K66-L69 VanDerWaalsContact O-N 3.16Å
67P94.1Very high96.4Very high10 Ų1076 Ų767%0.06539%0.392CS..G310 helixtrans-59.1-30.8-176.724.1-35000114.4L49 K53 V62 T65 L69 N70L49-P67 HydrophobicContact CB-CB 4.04Å; L49-P67 HydrophobicContact CB-CG 3.91Å; L49-P67 HydrophobicContact CD1-CB 4.14Å; L49-P67 HydrophobicContact CD2-CB 3.92Å; L49-P67 HydrophobicContact CD2-CG 4.46Å; L49-P67 HydrophobicContact CG-CB 4.24Å; L49-P67 VanDerWaalsContact O-CG 3.32Å; L49-P67 WeakPolarHBondContact O-CG 3.19Å; K53-P67 HydrophobicContact CG-CG 4.31Å; V62-P67 HydrophobicContact CB-CB 4.12Å; V62-P67 HydrophobicContact CG1-CB 3.97Å; V62-P67 WeakPolarHBondContact CG1-O 3.36Å; T65-P67 WeakPolarHBondContact O-CD 3.42Å; P67-L69 PolarHBondContact O-N 2.83Å; P67-N70 PolarHBondContact O-N 2.87Å; P67-N70 VanDerWaalsContact O-N 3.07Å
68L95.5Very high96.4Very high86 Ų8672.5 Ų72.545%0.4537%0.374SS..G310 helixtrans-62.2-12.8177.3-56.5-179.7000114.6V46 L49 K66 I71V46-L68 HydrophobicContact CB-CD2 4.4Å; V46-L68 HydrophobicContact CG1-CD2 4.25Å; V46-L68 HydrophobicContact CG2-CD2 4.23Å; L49-L68 HydrophobicContact CB-CD2 4Å; L49-L68 HydrophobicContact CD1-CD2 4.48Å; K66-L68 VanDerWaalsContact C-N 3.26Å; K66-L68 PolarHBondContact O-N 2.62Å; L68-I71 HydrophobicContact CD2-CD1 3.87Å
69L95.4Very high96.1Very high92 Ų9271.9 Ų71.948%0.48237%0.367SS..G310 helixtrans-75.7-23.5174.5-63.4-178.8000113.2K66 P67 R72K66-L69 HydrophobicContact CB-CD1 3.88Å; K66-L69 HydrophobicContact CB-CG 3.91Å; K66-L69 HydrophobicContact CD-CD1 4.19Å; K66-L69 PolarHBondContact O-N 3.1Å; K66-L69 VanDerWaalsContact O-N 3.16Å; P67-L69 PolarHBondContact O-N 2.83Å; L69-R72 PolarHBondContact O-NH1 3.44Å; L69-R72 PolarHBondContact O-NH2 2.89Å; L69-R72 VanDerWaalsContact O-NH2 3.1Å
70N96.6Very high96Very high30 Ų3069.9 Ų69.916%0.1636%0.356CS..G310 helixtrans-108.924.2-172.6-81.912000113.4I34 E35 V62 H63 P67I34-N70 WeakPolarHBondContact CG1-O 3.45Å; I34-N70 PolarHBondContact N-O 2.93Å; E35-N70 PolarHBondContact OE1-ND2 3.04Å; V62-N70 HydrophobicContact CG1-CB 3.98Å; V62-N70 WeakPolarHBondContact O-CB 3.46Å; V62-N70 PolarHBondContact O-ND2 3.36Å; H63-N70 HydrophobicContact CB-CB 4.33Å; P67-N70 PolarHBondContact O-N 2.87Å; P67-N70 VanDerWaalsContact O-N 3.07Å
71I98.1Very high95.8Very high19 Ų1966.9 Ų66.910%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-117.1146.716964.2178.1000110.7T31 T32 I33 V46 L49 V62 L68T31-I71 HydrophobicContact CG2-CB 3.94Å; T31-I71 HydrophobicContact CG2-CD1 4.1Å; T31-I71 HydrophobicContact CG2-CG1 4.25Å; T32-I71 WeakPolarHBondContact O-CA 3.36Å; I33-I71 HydrophobicContact CG1-CG2 4.03Å; V46-I71 HydrophobicContact CG2-CD1 4.09Å; L49-I71 HydrophobicContact CD1-CD1 4.43Å; L49-I71 HydrophobicContact CD1-CG2 3.74Å; V62-I71 HydrophobicContact CG1-CG2 4.38Å; L68-I71 HydrophobicContact CD2-CD1 3.87Å
72R98.1Very high95.6Very high139 Ų13964.1 Ų64.153%0.52532%0.324SS..EExtended strand (participates in β ladder)trans-136.4143.6179.3-64.7-68.5175.7-91-5.7111T31 T32 I34 L69 D74T31-R72 CarbonylContact C-O 3.58Å; T31-R72 VanDerWaalsContact CA-O 3.32Å; T31-R72 WeakPolarHBondContact CA-O 3.42Å; T32-R72 PolarHBondContact N-O 3.38Å; T32-R72 PolarHBondContact O-N 2.71Å; I34-R72 HydrophobicContact CD1-CG 3.84Å; I34-R72 HydrophobicContact CG1-CG 3.93Å; L69-R72 PolarHBondContact O-NH1 3.44Å; L69-R72 PolarHBondContact O-NH2 2.89Å; L69-R72 VanDerWaalsContact O-NH2 3.1Å; R72-D74 PolarHBondContact O-N 3.33Å
73S97.8Very high95.3Very high100 Ų10069 Ų6970%0.69935%0.345SS*.EExtended strand (participates in β ladder)trans-65124.5171.4-48.50000110.2K75S73-K75 PolarHBondContact O-N 2.91Å
74D97.9Very high95Very high46 Ų4670.3 Ų70.325%0.24635%0.353CS..  trans-100.980.4-176.9-161.5-35.8000110.1A30 T32 R72 T76 L77 Q78A30-D74 HydrophobicContact CB-CB 4.29Å; A30-D74 PolarHBondContact O-N 3.19Å; T32-D74 WeakPolarHBondContact OG1-CB 3.44Å; T32-D74 PolarHBondContact OG1-OD2 3.17Å; R72-D74 PolarHBondContact O-N 3.33Å; D74-T76 PolarHBondContact O-N 2.8Å; D74-T76 PolarHBondContact OD1-N 3.34Å; D74-L77 HydrophobicContact CB-CB 4.09Å; D74-L77 PolarHBondContact O-N 2.67Å; D74-L77 WeakPolarHBondContact OD1-CB 3.18Å; D74-L77 PolarHBondContact OD1-N 2.61Å; D74-Q78 WeakPolarHBondContact O-CB 3.3Å; D74-Q78 PolarHBondContact O-N 3.15Å
75K95.2Very high95.1Very high97 Ų9762.9 Ų62.942%0.42232%0.322SS..Hα-helixtrans-64.8-28.9-178-169166.1179.963.50112S73 Q78 D79S73-K75 PolarHBondContact O-N 2.91Å; K75-Q78 PolarHBondContact O-N 3.45Å; K75-D79 IonicContact NZ-OD1 2.8Å; K75-D79 VanDerWaalsContact O-CB 3.26Å; K75-D79 WeakPolarHBondContact O-CB 3.32Å; K75-D79 VanDerWaalsContact O-CG 3.28Å; K75-D79 PolarHBondContact O-N 3.21Å
76T95.8Very high94.9Very high104 Ų10463.3 Ų63.364%0.63833%0.326SS*.Hα-helixtrans-68-49.1177.3-54.50000111.1D74 Q78 D79 I80D74-T76 PolarHBondContact O-N 2.8Å; D74-T76 PolarHBondContact OD1-N 3.34Å; T76-Q78 VanDerWaalsContact C-N 3.32Å; T76-Q78 PolarHBondContact O-N 3.04Å; T76-D79 PolarHBondContact O-N 2.9Å; T76-I80 HydrophobicContact CG2-CD1 4.14Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 3.1Å
77L97.3Very high94.6Very high30 Ų3057.9 Ų57.916%0.15731%0.309CS..Hα-helixtrans-61.8-41.4174.5179.958.3000111.3F27 A30 S39 D74 I80 V81F27-L77 HydrophobicContact CD2-CD1 4.46Å; F27-L77 HydrophobicContact CD2-CD2 4.08Å; F27-L77 HydrophobicContact CD2-CG 4.27Å; F27-L77 HydrophobicContact CE2-CD2 4.03Å; A30-L77 HydrophobicContact CB-CB 4.29Å; A30-L77 HydrophobicContact CB-CD2 4.19Å; A30-L77 HydrophobicContact CB-CG 4.19Å; S39-L77 WeakPolarHBondContact OG-CD2 3.24Å; D74-L77 HydrophobicContact CB-CB 4.09Å; D74-L77 PolarHBondContact O-N 2.67Å; D74-L77 WeakPolarHBondContact OD1-CB 3.18Å; D74-L77 PolarHBondContact OD1-N 2.61Å; L77-I80 WeakPolarHBondContact O-CB 3.16Å; L77-I80 PolarHBondContact O-N 2.97Å; L77-V81 HydrophobicContact CD1-CG2 4.1Å; L77-V81 HydrophobicContact CG-CG2 4.36Å; L77-V81 WeakPolarHBondContact O-CB 3.42Å; L77-V81 WeakPolarHBondContact O-CG2 3.36Å; L77-V81 PolarHBondContact O-N 2.94Å
78Q96.6Very high94.6Very high13 Ų1358.4 Ų58.46%0.06131%0.311CS..Hα-helixtrans-65.8-41.7178.8-168.959.368.200113F27 A30 D74 K75 T76 I80 V81 Y82F27-Q78 PolarHBondContact O-NE2 2.72Å; F27-Q78 PolarHBondContact O-OE1 2.79Å; A30-Q78 HydrophobicContact CB-CB 3.96Å; D74-Q78 WeakPolarHBondContact O-CB 3.3Å; D74-Q78 PolarHBondContact O-N 3.15Å; K75-Q78 PolarHBondContact O-N 3.45Å; T76-Q78 VanDerWaalsContact C-N 3.32Å; T76-Q78 PolarHBondContact O-N 3.04Å; Q78-I80 VanDerWaalsContact C-N 3.3Å; Q78-I80 PolarHBondContact O-N 2.88Å; Q78-V81 PolarHBondContact O-N 2.99Å; Q78-Y82 HydrophobicContact CG-CD2 3.74Å; Q78-Y82 HydrophobicContact CG-CE2 3.44Å; Q78-Y82 VanDerWaalsContact CG-CE2 3.44Å; Q78-Y82 VanDerWaalsContact NE2-CZ 3.25Å; Q78-Y82 WeakPolarHBondContact O-CB 3.12Å; Q78-Y82 WeakPolarHBondContact O-CD2 3.35Å; Q78-Y82 PolarHBondContact O-N 3.17Å
79D93.1Very high94.4Very high36 Ų3655.8 Ų55.819%0.19330%0.296CS..Hα-helixtrans-66-32.8175.4-78.512.9000111.1K75 T76 K83K75-D79 IonicContact NZ-OD1 2.8Å; K75-D79 VanDerWaalsContact O-CB 3.26Å; K75-D79 WeakPolarHBondContact O-CB 3.32Å; K75-D79 VanDerWaalsContact O-CG 3.28Å; K75-D79 PolarHBondContact O-N 3.21Å; T76-D79 PolarHBondContact O-N 2.9Å; D79-K83 WeakPolarHBondContact O-CB 3.2Å; D79-K83 WeakPolarHBondContact O-CD 3.44Å; D79-K83 WeakPolarHBondContact O-CG 3.47Å; D79-K83 PolarHBondContact O-N 3.16Å
80I94.3Very high94.1Very high77 Ų7754.6 Ų54.640%0.39529%0.287SS..Hα-helixtrans-65.9-51171.5-72.7165.3000110.6L18 T76 L77 Q78 Y82 K83 L84L18-I80 HydrophobicContact CD2-CG2 4.4Å; T76-I80 HydrophobicContact CG2-CD1 4.14Å; T76-I80 VanDerWaalsContact O-CG1 3.27Å; T76-I80 WeakPolarHBondContact O-CG1 3.35Å; T76-I80 PolarHBondContact O-N 3.1Å; L77-I80 WeakPolarHBondContact O-CB 3.16Å; L77-I80 PolarHBondContact O-N 2.97Å; Q78-I80 VanDerWaalsContact C-N 3.3Å; Q78-I80 PolarHBondContact O-N 2.88Å; I80-Y82 PolarHBondContact O-N 3.02Å; I80-K83 PolarHBondContact O-N 3.31Å; I80-K83 VanDerWaalsContact O-N 3.14Å; I80-L84 HydrophobicContact CG2-CD1 3.59Å; I80-L84 HydrophobicContact CG2-CG 4.3Å; I80-L84 WeakPolarHBondContact O-CB 3.45Å; I80-L84 WeakPolarHBondContact O-CG 3.41Å; I80-L84 PolarHBondContact O-N 2.86Å
81V95.7Very high93.9Very high0 Ų057.5 Ų57.50%030%0.303CS..Hα-helixtrans-60.2-44.9-179.2171.30000111.2L18 F27 L77 Q78 K83 L84 V85 L88L18-V81 HydrophobicContact CB-CG2 4.38Å; L18-V81 HydrophobicContact CD2-CB 4.46Å; L18-V81 HydrophobicContact CD2-CG2 3.64Å; F27-V81 HydrophobicContact CB-CG1 4.33Å; F27-V81 HydrophobicContact CB-CG2 4.16Å; F27-V81 HydrophobicContact CD2-CG2 3.85Å; L77-V81 HydrophobicContact CD1-CG2 4.1Å; L77-V81 HydrophobicContact CG-CG2 4.36Å; L77-V81 WeakPolarHBondContact O-CB 3.42Å; L77-V81 WeakPolarHBondContact O-CG2 3.36Å; L77-V81 PolarHBondContact O-N 2.94Å; Q78-V81 PolarHBondContact O-N 2.99Å; V81-K83 VanDerWaalsContact C-N 3.3Å; V81-K83 PolarHBondContact O-N 2.63Å; V81-L84 PolarHBondContact O-N 3.02Å; V81-V85 HydrophobicContact CG1-CG2 4.29Å; V81-V85 WeakPolarHBondContact O-CB 3.46Å; V81-V85 WeakPolarHBondContact O-CG2 3.42Å; V81-V85 PolarHBondContact O-N 3.17Å; V81-L88 HydrophobicContact CG1-CD2 3.64Å
82Y93.4Very high93.8Very high18 Ų1857.7 Ų57.77%0.07130%0.303CS..Hα-helixtrans-69.7-21.3177.4-73.4-36.1000114.6I28 Q78 I80 L88 F89 I126I28-Y82 HydrophobicContact CD1-CE1 3.96Å; Q78-Y82 HydrophobicContact CG-CD2 3.74Å; Q78-Y82 HydrophobicContact CG-CE2 3.44Å; Q78-Y82 VanDerWaalsContact CG-CE2 3.44Å; Q78-Y82 VanDerWaalsContact NE2-CZ 3.25Å; Q78-Y82 WeakPolarHBondContact O-CB 3.12Å; Q78-Y82 WeakPolarHBondContact O-CD2 3.35Å; Q78-Y82 PolarHBondContact O-N 3.17Å; I80-Y82 PolarHBondContact O-N 3.02Å; Y82-L88 HydrophobicContact CD1-CB 4.39Å; Y82-L88 HydrophobicContact CD1-CD2 4Å; Y82-L88 HydrophobicContact CD1-CG 4Å; Y82-L88 HydrophobicContact CE1-CD2 4.31Å; Y82-L88 HydrophobicContact CE1-CG 4.13Å; Y82-F89 HydrophobicContact CD1-CB 3.83Å; Y82-F89 HydrophobicContact CD1-CD2 4.27Å; Y82-F89 AromaticContact CD2-CD2 3.75Å; Y82-F89 HydrophobicContact CD2-CD2 3.75Å; Y82-F89 HydrophobicContact CD2-CE2 4.46Å; Y82-F89 HydrophobicContact CE1-CB 4.32Å; Y82-F89 HydrophobicContact CE1-CD2 4.28Å; Y82-F89 AromaticContact CE2-CD2 3.75Å; Y82-F89 HydrophobicContact CE2-CD2 3.75Å; Y82-F89 HydrophobicContact CE2-CE2 4.32Å; Y82-F89 HydrophobicContact CG-CB 3.98Å; Y82-F89 HydrophobicContact CG-CD2 4.03Å; Y82-F89 HydrophobicContact CG-CG 4.45Å; Y82-I126 HydrophobicContact CD2-CD1 4.23Å; Y82-I126 HydrophobicContact CG-CD1 4.2Å
83K90.2Very high93.4Very high104 Ų10451.7 Ų51.745%0.45228%0.281SS..Hα-helixtrans-86.1-32.6173.5-74.1171.2-173.3176.10113.1D79 I80 V81 I126 Y218D79-K83 WeakPolarHBondContact O-CB 3.2Å; D79-K83 WeakPolarHBondContact O-CD 3.44Å; D79-K83 WeakPolarHBondContact O-CG 3.47Å; D79-K83 PolarHBondContact O-N 3.16Å; I80-K83 PolarHBondContact O-N 3.31Å; I80-K83 VanDerWaalsContact O-N 3.14Å; V81-K83 VanDerWaalsContact C-N 3.3Å; V81-K83 PolarHBondContact O-N 2.63Å; K83-I126 HydrophobicContact CG-CG1 4.44Å; K83-Y218 HydrophobicContact CD-CE1 4.41Å
84L91.6Very high93.2Very high79 Ų7951.9 Ų51.941%0.41427%0.269SS..Hα-helixtrans-86.9-27.3-177.4-69.4177.5000114L14 L18 I80 V81 P86L14-L84 HydrophobicContact CD1-CD1 4.4Å; L14-L84 HydrophobicContact CD1-CD2 4.46Å; L18-L84 HydrophobicContact CD1-CB 4.18Å; L18-L84 HydrophobicContact CD1-CD1 4.32Å; L18-L84 HydrophobicContact CD2-CD1 4.1Å; I80-L84 HydrophobicContact CG2-CD1 3.59Å; I80-L84 HydrophobicContact CG2-CG 4.3Å; I80-L84 WeakPolarHBondContact O-CB 3.45Å; I80-L84 WeakPolarHBondContact O-CG 3.41Å; I80-L84 PolarHBondContact O-N 2.86Å; V81-L84 PolarHBondContact O-N 3.02Å; L84-P86 WeakPolarHBondContact O-CD 3.42Å
85V92.7Very high93Very high9 Ų957.2 Ų57.26%0.05529%0.286CS..SBendtrans-99.2107.2-179.1-172.70000110.2I11 L18 Y26 V81 G87 L88I11-V85 HydrophobicContact CD1-CB 4.27Å; I11-V85 HydrophobicContact CD1-CG1 4.02Å; I11-V85 HydrophobicContact CD1-CG2 4.2Å; L18-V85 HydrophobicContact CD1-CG2 4.12Å; Y26-V85 HydrophobicContact CD1-CG1 4.41Å; Y26-V85 HydrophobicContact CD1-CG2 3.71Å; Y26-V85 HydrophobicContact CD2-CG1 3.84Å; Y26-V85 HydrophobicContact CE1-CG1 4.17Å; Y26-V85 HydrophobicContact CE1-CG2 3.73Å; Y26-V85 HydrophobicContact CE2-CG1 3.57Å; Y26-V85 HydrophobicContact CG-CG1 4.25Å; Y26-V85 HydrophobicContact CG-CG2 4.12Å; V81-V85 HydrophobicContact CG1-CG2 4.29Å; V81-V85 WeakPolarHBondContact O-CB 3.46Å; V81-V85 WeakPolarHBondContact O-CG2 3.42Å; V81-V85 PolarHBondContact O-N 3.17Å; V85-G87 PolarHBondContact O-N 3.03Å; V85-L88 HydrophobicContact CB-CB 3.83Å; V85-L88 HydrophobicContact CB-CD2 3.8Å; V85-L88 HydrophobicContact CB-CG 4.43Å; V85-L88 HydrophobicContact CG1-CB 3.74Å; V85-L88 HydrophobicContact CG1-CD2 4Å; V85-L88 HydrophobicContact CG1-CG 4.32Å; V85-L88 HydrophobicContact CG2-CD2 4.1Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 2.91Å
86P89.7Confident92.9Very high102 Ų10254.1 Ų54.166%0.66227%0.272SS*.THydrogen-bonded Turntrans-58132.5-174.8-25.935.7000112.8L84 L88L84-P86 WeakPolarHBondContact O-CD 3.42Å; P86-L88 PolarHBondContact O-N 2.78Å
87G88.7Confident92.7Very high24 Ų2455.5 Ų55.525%0.24727%0.266CS..THydrogen-bonded Turntrans68.6-5.2177.400000116.3V85 F89 K90 N91V85-G87 PolarHBondContact O-N 3.03Å; G87-F89 PolarHBondContact O-N 3.39Å; G87-K90 PolarHBondContact O-N 3.41Å; G87-K90 VanDerWaalsContact O-N 3.12Å; G87-N91 WeakPolarHBondContact O-CB 3.47Å; G87-N91 VanDerWaalsContact O-CG 3.27Å; G87-N91 PolarHBondContact O-N 3Å; G87-N91 PolarHBondContact O-ND2 2.88Å
88L93.2Very high92.5Very high21 Ų2156.9 Ų56.911%0.1127%0.273CS..Hα-helixtrans-56.3-47.5-174.9-178.663.7000112.4Y26 I28 V81 Y82 V85 P86 N91 E92Y26-L88 HydrophobicContact CD2-CD1 4.14Å; Y26-L88 HydrophobicContact CD2-CD2 4.37Å; Y26-L88 HydrophobicContact CG-CD2 4.16Å; I28-L88 HydrophobicContact CD1-CD1 4.17Å; I28-L88 HydrophobicContact CD1-CG 4.32Å; V81-L88 HydrophobicContact CG1-CD2 3.64Å; Y82-L88 HydrophobicContact CD1-CB 4.39Å; Y82-L88 HydrophobicContact CD1-CD2 4Å; Y82-L88 HydrophobicContact CD1-CG 4Å; Y82-L88 HydrophobicContact CE1-CD2 4.31Å; Y82-L88 HydrophobicContact CE1-CG 4.13Å; V85-L88 HydrophobicContact CB-CB 3.83Å; V85-L88 HydrophobicContact CB-CD2 3.8Å; V85-L88 HydrophobicContact CB-CG 4.43Å; V85-L88 HydrophobicContact CG1-CB 3.74Å; V85-L88 HydrophobicContact CG1-CD2 4Å; V85-L88 HydrophobicContact CG1-CG 4.32Å; V85-L88 HydrophobicContact CG2-CD2 4.1Å; V85-L88 WeakPolarHBondContact O-CB 3.39Å; V85-L88 PolarHBondContact O-N 2.91Å; P86-L88 PolarHBondContact O-N 2.78Å; L88-N91 PolarHBondContact O-N 3Å; L88-E92 WeakPolarHBondContact O-CB 3.44Å; L88-E92 PolarHBondContact O-N 3.42Å
89F91.2Very high92.3Very high32 Ų3260.6 Ų60.614%0.1429%0.289CS..Hα-helixtrans-61.9-46.7176.1-178.8-107.4000112.3Y82 G87 N91 E92 M93 V119 I126Y82-F89 HydrophobicContact CD1-CB 3.83Å; Y82-F89 HydrophobicContact CD1-CD2 4.27Å; Y82-F89 AromaticContact CD2-CD2 3.75Å; Y82-F89 HydrophobicContact CD2-CD2 3.75Å; Y82-F89 HydrophobicContact CD2-CE2 4.46Å; Y82-F89 HydrophobicContact CE1-CB 4.32Å; Y82-F89 HydrophobicContact CE1-CD2 4.28Å; Y82-F89 AromaticContact CE2-CD2 3.75Å; Y82-F89 HydrophobicContact CE2-CD2 3.75Å; Y82-F89 HydrophobicContact CE2-CE2 4.32Å; Y82-F89 HydrophobicContact CG-CB 3.98Å; Y82-F89 HydrophobicContact CG-CD2 4.03Å; Y82-F89 HydrophobicContact CG-CG 4.45Å; G87-F89 PolarHBondContact O-N 3.39Å; F89-N91 VanDerWaalsContact C-N 3.28Å; F89-N91 PolarHBondContact O-N 3.25Å; F89-E92 PolarHBondContact O-N 3.25Å; F89-M93 HydrophobicContact CD1-CG 4.22Å; F89-M93 HydrophobicContact CD2-CE 4.39Å; F89-M93 HydrophobicContact CD2-CG 4.04Å; F89-M93 HydrophobicContact CE1-CG 3.95Å; F89-M93 HydrophobicContact CE2-CE 4.09Å; F89-M93 HydrophobicContact CE2-CG 3.75Å; F89-M93 HydrophobicContact CE2-SD 3.93Å; F89-M93 HydrophobicContact CG-CG 4.27Å; F89-M93 HydrophobicContact CZ-CG 3.72Å; F89-M93 HydrophobicContact CZ-SD 4.09Å; F89-M93 WeakPolarHBondContact O-CB 3.27Å; F89-M93 VanDerWaalsContact O-CG 3.26Å; F89-M93 WeakPolarHBondContact O-CG 3.41Å; F89-M93 PolarHBondContact O-N 3.36Å; F89-V119 HydrophobicContact CZ-CG1 4.28Å; F89-V119 HydrophobicContact CZ-CG2 4.04Å; F89-I126 HydrophobicContact CB-CD1 3.78Å; F89-I126 HydrophobicContact CD1-CD1 3.69Å; F89-I126 HydrophobicContact CD2-CD1 3.59Å; F89-I126 HydrophobicContact CE1-CD1 4.09Å; F89-I126 HydrophobicContact CE2-CD1 4.01Å; F89-I126 HydrophobicContact CG-CD1 3.4Å; F89-I126 VanDerWaalsContact CG-CD1 3.4Å; F89-I126 HydrophobicContact CZ-CD1 4.23Å
90K89.3Confident92.1Very high66 Ų6660.6 Ų60.629%0.28729%0.287SS..Hα-helixtrans-58.5-41.6177.9-61.6-174.4-177.8-1780111.1G87 K94 T128 D130 E131G87-K90 PolarHBondContact O-N 3.41Å; G87-K90 VanDerWaalsContact O-N 3.12Å; K90-K94 WeakPolarHBondContact O-CB 3.35Å; K90-K94 PolarHBondContact O-N 2.83Å; K90-T128 VanDerWaalsContact CE-OG1 3.24Å; K90-T128 WeakPolarHBondContact CE-OG1 3.35Å; K90-T128 PolarHBondContact NZ-OG1 3.14Å; K90-D130 IonicContact NZ-OD1 3.41Å; K90-D130 PolarHBondContact NZ-OD1 3.36Å; K90-D130 IonicContact NZ-OD2 3.3Å; K90-D130 PolarHBondContact NZ-OD2 3.4Å; K90-E131 WeakPolarHBondContact CE-OE1 3.35Å; K90-E131 IonicContact NZ-OE1 2.76Å; K90-E131 PolarHBondContact NZ-OE1 3.4Å
91N92.7Very high91.9Very high91 Ų9159.8 Ų59.849%0.48729%0.292SS..Hα-helixtrans-69.7-42.2179-69.7-26.1000112.7G87 L88 F89 K94 R95G87-N91 WeakPolarHBondContact O-CB 3.47Å; G87-N91 VanDerWaalsContact O-CG 3.27Å; G87-N91 PolarHBondContact O-N 3Å; G87-N91 PolarHBondContact O-ND2 2.88Å; L88-N91 PolarHBondContact O-N 3Å; F89-N91 VanDerWaalsContact C-N 3.28Å; F89-N91 PolarHBondContact O-N 3.25Å; N91-K94 WeakPolarHBondContact O-CB 3.17Å; N91-K94 PolarHBondContact O-N 3.1Å; N91-R95 WeakPolarHBondContact O-CG 3.4Å; N91-R95 PolarHBondContact O-N 3.48Å
92E94.6Very high91.6Very high24 Ų2466.8 Ų66.811%0.11232%0.324CS..Hα-helixtrans-67.2-46.5176.8177.759.2-165.400111.8I28 L88 F89 K94 R95 R96I28-E92 HydrophobicContact CD1-CB 4.24Å; I28-E92 HydrophobicContact CD1-CG 4.07Å; I28-E92 HydrophobicContact CG2-CG 4.07Å; I28-E92 WeakPolarHBondContact CG2-OE1 3.41Å; L88-E92 WeakPolarHBondContact O-CB 3.44Å; L88-E92 PolarHBondContact O-N 3.42Å; F89-E92 PolarHBondContact O-N 3.25Å; E92-K94 PolarHBondContact O-N 3Å; E92-R95 PolarHBondContact O-N 3.27Å; E92-R95 VanDerWaalsContact O-N 3.15Å; E92-R96 WeakPolarHBondContact O-CG 3.3Å; E92-R96 PolarHBondContact O-N 3.34Å; E92-R96 IonicContact OE1-CZ 3.75Å; E92-R96 IonicContact OE1-NE 3.83Å; E92-R96 PolarHBondContact OE1-NE 3Å; E92-R96 IonicContact OE1-NH2 2.8Å; E92-R96 PolarHBondContact OE1-NH2 3.13Å; E92-R96 VanDerWaalsContact OE1-NH2 3.11Å
93M91.6Very high91.4Very high12 Ų1269.1 Ų69.16%0.05934%0.336CS..Hα-helixtrans-64.7-24.5174.6-62.3-60.9103.300112.5F89 R97 V119F89-M93 HydrophobicContact CD1-CG 4.22Å; F89-M93 HydrophobicContact CD2-CE 4.39Å; F89-M93 HydrophobicContact CD2-CG 4.04Å; F89-M93 HydrophobicContact CE1-CG 3.95Å; F89-M93 HydrophobicContact CE2-CE 4.09Å; F89-M93 HydrophobicContact CE2-CG 3.75Å; F89-M93 HydrophobicContact CE2-SD 3.93Å; F89-M93 HydrophobicContact CG-CG 4.27Å; F89-M93 HydrophobicContact CZ-CG 3.72Å; F89-M93 HydrophobicContact CZ-SD 4.09Å; F89-M93 WeakPolarHBondContact O-CB 3.27Å; F89-M93 VanDerWaalsContact O-CG 3.26Å; F89-M93 WeakPolarHBondContact O-CG 3.41Å; F89-M93 PolarHBondContact O-N 3.36Å; M93-R97 WeakPolarHBondContact O-CG 3.48Å; M93-R97 PolarHBondContact O-N 3.44Å; M93-R97 PolarHBondContact O-NE 2.77Å; M93-R97 VanDerWaalsContact O-NE 3.09Å; M93-V119 HydrophobicContact CG-CG2 4.12Å; M93-V119 HydrophobicContact SD-CG2 3.53Å; M93-V119 VanDerWaalsContact SD-CG2 3.53Å
94K91.8Very high90.9Very high104 Ų10468.2 Ų68.245%0.45234%0.341SS..Hα-helixtrans-70.1-53.6168.3-164.5-159.5178.3-59.40110.8K90 N91 E92 R96 R97 D98K90-K94 WeakPolarHBondContact O-CB 3.35Å; K90-K94 PolarHBondContact O-N 2.83Å; N91-K94 WeakPolarHBondContact O-CB 3.17Å; N91-K94 PolarHBondContact O-N 3.1Å; E92-K94 PolarHBondContact O-N 3Å; K94-R96 VanDerWaalsContact C-N 3.3Å; K94-R96 PolarHBondContact O-N 3.32Å; K94-R97 PolarHBondContact O-N 2.83Å; K94-D98 IonicContact NZ-OD1 2.83Å; K94-D98 PolarHBondContact NZ-OD1 3.03Å; K94-D98 IonicContact NZ-OD2 3.75Å; K94-D98 PolarHBondContact NZ-OD2 2.92Å; K94-D98 PolarHBondContact O-N 3.27Å
95R94.4Very high90.1Very high159 Ų15969.5 Ų69.560%0.636%0.356SS*.Hα-helixtrans-53.7-43.5179.8-73.2168.6176.6173.7-2.9112.9N91 E92 D98 F99N91-R95 WeakPolarHBondContact O-CG 3.4Å; N91-R95 PolarHBondContact O-N 3.48Å; E92-R95 PolarHBondContact O-N 3.27Å; E92-R95 VanDerWaalsContact O-N 3.15Å; R95-D98 PolarHBondContact O-N 3.36Å; R95-F99 WeakPolarHBondContact O-CB 3.36Å; R95-F99 PolarHBondContact O-N 3.15Å
96R93Very high89.1Confident32 Ų3272.2 Ų72.212%0.12137%0.37CS..Hα-helixtrans-59.4-50175.6-68.3176.9-172.8-153.4-5111.3D29 E92 K94 F99 Y100 E114 D115 R116D29-R96 IonicContact OD1-CZ 3.16Å; D29-R96 IonicContact OD1-NH1 2.66Å; D29-R96 IonicContact OD1-NH2 2.84Å; D29-R96 PolarHBondContact OD1-NH2 3.08Å; D29-R96 IonicContact OD2-NH2 2.71Å; E92-R96 WeakPolarHBondContact O-CG 3.3Å; E92-R96 PolarHBondContact O-N 3.34Å; E92-R96 IonicContact OE1-CZ 3.75Å; E92-R96 IonicContact OE1-NE 3.83Å; E92-R96 PolarHBondContact OE1-NE 3Å; E92-R96 IonicContact OE1-NH2 2.8Å; E92-R96 PolarHBondContact OE1-NH2 3.13Å; E92-R96 VanDerWaalsContact OE1-NH2 3.11Å; K94-R96 VanDerWaalsContact C-N 3.3Å; K94-R96 PolarHBondContact O-N 3.32Å; R96-F99 PolarHBondContact O-N 3.02Å; R96-Y100 VanDerWaalsContact O-CD2 3.22Å; R96-Y100 WeakPolarHBondContact O-CD2 3.39Å; R96-Y100 PolarHBondContact O-N 2.81Å; R96-E114 PolarHBondContact NH1-O 3.49Å; R96-D115 WeakPolarHBondContact CD-O 3.48Å; R96-R116 CarbonylContact C-O 3.11Å
97R91.7Very high87.7Confident133 Ų13370.9 Ų70.950%0.50235%0.354SS..Hα-helixtrans-64.6-41.4178.5-74.1-176.9-64.81564.4113.1M93 K94 Y100 A101 R116 G117M93-R97 WeakPolarHBondContact O-CG 3.48Å; M93-R97 PolarHBondContact O-N 3.44Å; M93-R97 PolarHBondContact O-NE 2.77Å; M93-R97 VanDerWaalsContact O-NE 3.09Å; K94-R97 PolarHBondContact O-N 2.83Å; R97-Y100 PolarHBondContact O-N 2.51Å; R97-A101 VanDerWaalsContact O-CB 3.32Å; R97-A101 WeakPolarHBondContact O-CB 3.28Å; R97-A101 PolarHBondContact O-N 2.84Å; R97-R116 VanDerWaalsContact CG-O 3.28Å; R97-R116 WeakPolarHBondContact CG-O 3.44Å; R97-R116 PolarHBondContact N-O 3.35Å; R97-G117 WeakPolarHBondContact CD-O 3.32Å; R97-G117 WeakPolarHBondContact CG-O 3.44Å; R97-G117 PolarHBondContact NE-O 3.19Å
98D92.8Very high86.1Confident59 Ų5974.2 Ų74.232%0.31638%0.378SS..Hα-helixtrans-57.9-53.8176.2-61.2-26.8000109.9K94 R95 Y100 A101 E102K94-D98 IonicContact NZ-OD1 2.83Å; K94-D98 PolarHBondContact NZ-OD1 3.03Å; K94-D98 IonicContact NZ-OD2 3.75Å; K94-D98 PolarHBondContact NZ-OD2 2.92Å; K94-D98 PolarHBondContact O-N 3.27Å; R95-D98 PolarHBondContact O-N 3.36Å; D98-Y100 PolarHBondContact O-N 2.93Å; D98-A101 WeakPolarHBondContact O-CB 3.27Å; D98-A101 PolarHBondContact O-N 3Å; D98-E102 PolarHBondContact O-N 2.94Å; D98-E102 VanDerWaalsContact O-N 3.08Å
99F92.2Very high84.6Confident91 Ų9177.5 Ų77.540%0.39940%0.403SS..Hα-helixtrans-56.5-48.3178.5174.4-98.4000112.5R95 R96 A101 E102 H103R95-F99 WeakPolarHBondContact O-CB 3.36Å; R95-F99 PolarHBondContact O-N 3.15Å; R96-F99 PolarHBondContact O-N 3.02Å; F99-A101 VanDerWaalsContact C-N 3.29Å; F99-A101 PolarHBondContact O-N 3.41Å; F99-E102 PolarHBondContact O-N 2.82Å; F99-H103 AromaticContact CD2-CE1 3.73Å; F99-H103 AromaticContact CD2-ND1 3.62Å; F99-H103 AromaticContact CE2-CE1 3.55Å; F99-H103 AromaticContact CE2-ND1 3.58Å; F99-H103 AromaticContact CE2-NE2 3.98Å; F99-H103 WeakPolarHBondContact O-CB 3.33Å; F99-H103 PolarHBondContact O-N 2.92Å; F99-H103 PolarHBondContact O-ND1 2.97Å
100Y89Confident82.9Confident35 Ų3580.7 Ų80.714%0.13742%0.422CS..Hα-helixtrans-73.9-16.3178.7-76.9-67.5000113.6R96 R97 D98 I106 K107 D115 R116R96-Y100 VanDerWaalsContact O-CD2 3.22Å; R96-Y100 WeakPolarHBondContact O-CD2 3.39Å; R96-Y100 PolarHBondContact O-N 2.81Å; R97-Y100 PolarHBondContact O-N 2.51Å; D98-Y100 PolarHBondContact O-N 2.93Å; Y100-I106 HydrophobicContact CE1-CG2 4.11Å; Y100-K107 HydrophobicContact CD1-CG 3.96Å; Y100-K107 HydrophobicContact CG-CG 4.32Å; Y100-K107 WeakPolarHBondContact O-CD 3.22Å; Y100-K107 WeakPolarHBondContact O-CE 3.44Å; Y100-K107 PolarHBondContact O-NZ 2.85Å; Y100-D115 WeakPolarHBondContact CE2-O 3.14Å; Y100-R116 HydrophobicContact CD2-CB 4.3Å; Y100-R116 HydrophobicContact CD2-CG 4.27Å; Y100-R116 HydrophobicContact CE2-CG 4.35Å
101A89.6Confident81.9Confident61 Ų6179.7 Ų79.750%0.50443%0.43SS..Hα-helixtrans-71.9-42.4168.100000111.1R97 D98 F99 H103R97-A101 VanDerWaalsContact O-CB 3.32Å; R97-A101 WeakPolarHBondContact O-CB 3.28Å; R97-A101 PolarHBondContact O-N 2.84Å; D98-A101 WeakPolarHBondContact O-CB 3.27Å; D98-A101 PolarHBondContact O-N 3Å; F99-A101 VanDerWaalsContact C-N 3.29Å; F99-A101 PolarHBondContact O-N 3.41Å; A101-H103 VanDerWaalsContact C-N 3.33Å
102E91.3Very high81.2Confident147 Ų14777.8 Ų77.869%0.68742%0.424SS*.Hα-helixtrans-71.7-24.3176.4-67.2170.1-178.900113.3D98 F99 P104D98-E102 PolarHBondContact O-N 2.94Å; D98-E102 VanDerWaalsContact O-N 3.08Å; F99-E102 PolarHBondContact O-N 2.82Å; E102-P104 VanDerWaalsContact C-CD 3.4Å; E102-P104 VanDerWaalsContact O-CD 3.29Å; E102-P104 WeakPolarHBondContact O-CD 3.26Å
103H87.7Confident80.5Confident67 Ų6782.8 Ų82.831%0.3145%0.447SS..  trans-118.463.6-177.6-57.678000114.2F99 A101 S105 I106F99-H103 AromaticContact CD2-CE1 3.73Å; F99-H103 AromaticContact CD2-ND1 3.62Å; F99-H103 AromaticContact CE2-CE1 3.55Å; F99-H103 AromaticContact CE2-ND1 3.58Å; F99-H103 AromaticContact CE2-NE2 3.98Å; F99-H103 WeakPolarHBondContact O-CB 3.33Å; F99-H103 PolarHBondContact O-N 2.92Å; F99-H103 PolarHBondContact O-ND1 2.97Å; A101-H103 VanDerWaalsContact C-N 3.33Å; H103-S105 VanDerWaalsContact C-N 3.27Å; H103-S105 PolarHBondContact O-N 2.86Å; H103-I106 HydrophobicContact CB-CB 4.41Å; H103-I106 HydrophobicContact CB-CD1 3.97Å; H103-I106 HydrophobicContact CB-CG1 4.14Å; H103-I106 PolarHBondContact O-N 2.9Å; H103-I106 VanDerWaalsContact O-N 3.09Å
104P80.7Confident79.9Confident85 Ų8586.4 Ų86.455%0.55246%0.464SS*.THydrogen-bonded Turntrans-58.6-31-176.4-25.534.7000115.4E102 I106 K107E102-P104 VanDerWaalsContact C-CD 3.4Å; E102-P104 VanDerWaalsContact O-CD 3.29Å; E102-P104 WeakPolarHBondContact O-CD 3.26Å; P104-I106 PolarHBondContact O-N 2.9Å; P104-K107 WeakPolarHBondContact O-CB 3.35Å; P104-K107 PolarHBondContact O-N 2.93Å
105S74Confident79.5Confident106 Ų10683.9 Ų83.974%0.74146%0.455SS*.THydrogen-bonded Turntrans-64.9-26.5178.250.30000113.4H103H103-S105 VanDerWaalsContact C-N 3.27Å; H103-S105 PolarHBondContact O-N 2.86Å
106I71.8Confident79Confident66 Ų6678.2 Ų78.234%0.33843%0.434SS..THydrogen-bonded Turntrans-86.7-25.4-178.6-50.3-176.4000111.3Y100 H103 P104 A108 S109Y100-I106 HydrophobicContact CE1-CG2 4.11Å; H103-I106 HydrophobicContact CB-CB 4.41Å; H103-I106 HydrophobicContact CB-CD1 3.97Å; H103-I106 HydrophobicContact CB-CG1 4.14Å; H103-I106 PolarHBondContact O-N 2.9Å; H103-I106 VanDerWaalsContact O-N 3.09Å; P104-I106 PolarHBondContact O-N 2.9Å; I106-A108 PolarHBondContact O-N 3.28Å; I106-A108 VanDerWaalsContact O-N 3.08Å; I106-S109 PolarHBondContact O-N 2.9Å
107K59.6Low78.5Confident74 Ų7476.8 Ų76.832%0.32243%0.43SS..THydrogen-bonded Turntrans-54.1-30.6178.1-85.2178155.9134.40113.8Y100 P104 R116Y100-K107 HydrophobicContact CD1-CG 3.96Å; Y100-K107 HydrophobicContact CG-CG 4.32Å; Y100-K107 WeakPolarHBondContact O-CD 3.22Å; Y100-K107 WeakPolarHBondContact O-CE 3.44Å; Y100-K107 PolarHBondContact O-NZ 2.85Å; P104-K107 WeakPolarHBondContact O-CB 3.35Å; P104-K107 PolarHBondContact O-N 2.93Å; K107-R116 PolarHBondContact O-NE 3.29Å; K107-R116 PolarHBondContact O-NH2 3.04Å
108A55.2Low78Confident93 Ų9374 Ų7477%0.76942%0.422SS*.THydrogen-bonded Turntrans-76-22.9-169.500000115I106I106-A108 PolarHBondContact O-N 3.28Å; I106-A108 VanDerWaalsContact O-N 3.08Å
109S61.8Low77.1Confident90 Ų9072.6 Ų72.663%0.62942%0.416SS*.THydrogen-bonded Turntrans-106.9-32.1-171.374.60000115.8I106I106-S109 PolarHBondContact O-N 2.9Å
110N57Low75.9Confident99 Ų9970.4 Ų70.453%0.52941%0.414SS..SBendtrans-127.3144.7-162.5-75.729.2000114.1R116N110-R116 VanDerWaalsContact O-CZ 3.31Å; N110-R116 PolarHBondContact O-NH2 3.22Å
111G66.8Low74.7Confident45 Ų4573.7 Ų73.746%0.46443%0.434SS..  trans98.5158162.100000115.7R116G111-R116 PolarHBondContact O-NH1 3.11Å
112S78.2Confident73.3Confident52 Ų5277.2 Ų77.236%0.36444%0.44SS..  trans-72.6-178.3160.9660000111.5E114 D115 R116S112-E114 PolarHBondContact OG-N 3.44Å; S112-D115 WeakPolarHBondContact CB-OD2 3.29Å; S112-D115 PolarHBondContact N-OD2 3.11Å; S112-D115 VanDerWaalsContact OG-CG 3.29Å; S112-D115 PolarHBondContact OG-N 3.46Å; S112-D115 VanDerWaalsContact OG-N 3.07Å; S112-D115 PolarHBondContact OG-OD2 3.2Å; S112-R116 PolarHBondContact O-N 3.36Å; S112-R116 PolarHBondContact O-NH1 2.66Å
113H80.5Confident72Confident128 Ų12874 Ų7459%0.59343%0.428SS*.Hα-helixtrans-68.6-39.9168.7-69.7-72.7000111.3D115 R116 G117 E118H113-D115 VanDerWaalsContact C-N 3.27Å; H113-D115 PolarHBondContact O-N 3.01Å; H113-R116 CarbonylContact O-C 3.59Å; H113-R116 WeakPolarHBondContact O-CA 3.42Å; H113-R116 PolarHBondContact O-N 3.08Å; H113-G117 PolarHBondContact O-N 3.25Å; H113-G117 VanDerWaalsContact O-N 3.12Å; H113-E118 CarbonylContact C-O 3.52Å; H113-E118 HydrophobicContact CB-CB 3.97Å; H113-E118 VanDerWaalsContact CB-O 3.25Å; H113-E118 WeakPolarHBondContact CB-O 3.24Å; H113-E118 IonicContact CE1-OE2 3.62Å; H113-E118 IonicContact CG-OE2 3.87Å; H113-E118 IonicContact ND1-OE2 2.79Å; H113-E118 PolarHBondContact ND1-OE2 3.37Å; H113-E118 PolarHBondContact O-N 3.32Å; H113-E118 VanDerWaalsContact O-O 3.1Å
114E78.4Confident71.1Confident89 Ų8973.8 Ų73.842%0.41643%0.426SS..Hα-helixtrans-58.4-35.4172.9-66.7-170.3139.800112.6R96 S112 G117R96-E114 PolarHBondContact NH1-O 3.49Å; S112-E114 PolarHBondContact OG-N 3.44Å; E114-G117 PolarHBondContact O-N 2.89Å
115D83.6Confident70.7Confident50 Ų5076.5 Ų76.527%0.26743%0.425SS..Hα-helixtrans-67.6-34.1175.1-66-65.5000112.1R96 Y100 S112 H113 G117R96-D115 WeakPolarHBondContact CD-O 3.48Å; Y100-D115 WeakPolarHBondContact CE2-O 3.14Å; S112-D115 WeakPolarHBondContact CB-OD2 3.29Å; S112-D115 PolarHBondContact N-OD2 3.11Å; S112-D115 VanDerWaalsContact OG-CG 3.29Å; S112-D115 PolarHBondContact OG-N 3.46Å; S112-D115 VanDerWaalsContact OG-N 3.07Å; S112-D115 PolarHBondContact OG-OD2 3.2Å; H113-D115 VanDerWaalsContact C-N 3.27Å; H113-D115 PolarHBondContact O-N 3.01Å; D115-G117 VanDerWaalsContact C-N 3.26Å; D115-G117 PolarHBondContact O-N 3.12Å
116R83.4Confident71.1Confident40 Ų4072.1 Ų72.115%0.15139%0.393CS..Hα-helixtrans-78-8.7173.8-68-179-175.176.8-2.5113.5R96 R97 Y100 K107 N110 G111 S112 H113 E118R96-R116 CarbonylContact C-O 3.11Å; R97-R116 VanDerWaalsContact CG-O 3.28Å; R97-R116 WeakPolarHBondContact CG-O 3.44Å; R97-R116 PolarHBondContact N-O 3.35Å; Y100-R116 HydrophobicContact CD2-CB 4.3Å; Y100-R116 HydrophobicContact CD2-CG 4.27Å; Y100-R116 HydrophobicContact CE2-CG 4.35Å; K107-R116 PolarHBondContact O-NE 3.29Å; K107-R116 PolarHBondContact O-NH2 3.04Å; N110-R116 VanDerWaalsContact O-CZ 3.31Å; N110-R116 PolarHBondContact O-NH2 3.22Å; G111-R116 PolarHBondContact O-NH1 3.11Å; S112-R116 PolarHBondContact O-N 3.36Å; S112-R116 PolarHBondContact O-NH1 2.66Å; H113-R116 CarbonylContact O-C 3.59Å; H113-R116 WeakPolarHBondContact O-CA 3.42Å; H113-R116 PolarHBondContact O-N 3.08Å; R116-E118 HydrophobicContact CB-CB 4.42Å; R116-E118 HydrophobicContact CB-CG 3.98Å; R116-E118 WeakPolarHBondContact CD-OE1 3.19Å
117G82.5Confident71.8Confident3 Ų369.2 Ų69.23%0.03138%0.378CS..THydrogen-bonded Turntrans74.313.4-169.600000113.6R97 H113 E114 D115 V119R97-G117 WeakPolarHBondContact CD-O 3.32Å; R97-G117 WeakPolarHBondContact CG-O 3.44Å; R97-G117 PolarHBondContact NE-O 3.19Å; H113-G117 PolarHBondContact O-N 3.25Å; H113-G117 VanDerWaalsContact O-N 3.12Å; E114-G117 PolarHBondContact O-N 2.89Å; D115-G117 VanDerWaalsContact C-N 3.26Å; D115-G117 PolarHBondContact O-N 3.12Å; G117-V119 PolarHBondContact O-N 2.81Å
118E81.5Confident73Confident75 Ų7566.6 Ų66.635%0.3537%0.368SS..  trans-84.8102.6173.1-68.1164.4-164.600107.5H113 R116H113-E118 CarbonylContact C-O 3.52Å; H113-E118 HydrophobicContact CB-CB 3.97Å; H113-E118 VanDerWaalsContact CB-O 3.25Å; H113-E118 WeakPolarHBondContact CB-O 3.24Å; H113-E118 IonicContact CE1-OE2 3.62Å; H113-E118 IonicContact CG-OE2 3.87Å; H113-E118 IonicContact ND1-OE2 2.79Å; H113-E118 PolarHBondContact ND1-OE2 3.37Å; H113-E118 PolarHBondContact O-N 3.32Å; H113-E118 VanDerWaalsContact O-O 3.1Å; R116-E118 HydrophobicContact CB-CB 4.42Å; R116-E118 HydrophobicContact CB-CG 3.98Å; R116-E118 WeakPolarHBondContact CD-OE1 3.19Å
119V75.1Confident74.3Confident29 Ų2967.1 Ų67.118%0.17636%0.359CS..  trans-121.6113.7179.5-176.20000108.2F89 M93 G117 D123 K124F89-V119 HydrophobicContact CZ-CG1 4.28Å; F89-V119 HydrophobicContact CZ-CG2 4.04Å; M93-V119 HydrophobicContact CG-CG2 4.12Å; M93-V119 HydrophobicContact SD-CG2 3.53Å; M93-V119 VanDerWaalsContact SD-CG2 3.53Å; G117-V119 PolarHBondContact O-N 2.81Å; V119-D123 HydrophobicContact CG1-CB 4.13Å; V119-K124 HydrophobicContact CG1-CG 4Å
120A66.9Low75.3Confident44 Ų4468 Ų6836%0.36436%0.356SS..  trans-60.7149.9175.100000110.5E122 D123 K124A120-E122 HydrophobicContact CB-CG 3.97Å; A120-E122 PolarHBondContact O-N 3.44Å; A120-D123 PolarHBondContact O-N 3.42Å; A120-K124 PolarHBondContact O-N 2.74Å
121D63.8Low76.9Confident105 Ų10565.1 Ų65.156%0.56134%0.339SS*.G310 helixtrans-62.2-26.6-177.3-82.9-61.2000113.2K124 R224D121-K124 WeakPolarHBondContact OD1-CD 3.18Å; D121-K124 VanDerWaalsContact OD1-CE 3.29Å; D121-K124 WeakPolarHBondContact OD1-CE 3.23Å; D121-K124 IonicContact OD1-NZ 2.76Å; D121-K124 PolarHBondContact OD1-NZ 2.98Å; D121-R224 WeakPolarHBondContact O-CD 3.08Å
122E59.8Low78.1Confident135 Ų13567.8 Ų67.863%0.63134%0.342SS*.G310 helixtrans-70.9-30.9172.664.1-152.4129.300113.7A120A120-E122 HydrophobicContact CB-CG 3.97Å; A120-E122 PolarHBondContact O-N 3.44Å
123D63.1Low78.8Confident80 Ų8065.4 Ų65.443%0.42833%0.325SS..G310 helixtrans-87.2-1.3178.8-92.6-46000113.8V119 A120 R125V119-D123 HydrophobicContact CG1-CB 4.13Å; A120-D123 PolarHBondContact O-N 3.42Å; D123-R125 PolarHBondContact O-N 2.92Å
124K69.1Low79.6Confident61 Ų6161.6 Ų61.627%0.26531%0.313SS..  trans-70.272.7175.4-70.8-179.7-176.4169.90112V119 A120 D121 I126 R224V119-K124 HydrophobicContact CG1-CG 4Å; A120-K124 PolarHBondContact O-N 2.74Å; D121-K124 WeakPolarHBondContact OD1-CD 3.18Å; D121-K124 VanDerWaalsContact OD1-CE 3.29Å; D121-K124 WeakPolarHBondContact OD1-CE 3.23Å; D121-K124 IonicContact OD1-NZ 2.76Å; D121-K124 PolarHBondContact OD1-NZ 2.98Å; K124-I126 PolarHBondContact O-N 3.44Å; K124-R224 PolarHBondContact O-NH1 3.27Å
125R72.8Confident80.4Confident142 Ų14257.4 Ų57.454%0.53629%0.293SS..  trans-63-7.6175.3-61.2179.2-168.9-153.50.5114.4D123D123-R125 PolarHBondContact O-N 2.92Å
126I83Confident81Confident14 Ų1455.1 Ų55.17%0.07228%0.281CS..  trans-103.8129174.1-62.5145.4000107.5Y82 K83 F89 K124 T128 R224Y82-I126 HydrophobicContact CD2-CD1 4.23Å; Y82-I126 HydrophobicContact CG-CD1 4.2Å; K83-I126 HydrophobicContact CG-CG1 4.44Å; F89-I126 HydrophobicContact CB-CD1 3.78Å; F89-I126 HydrophobicContact CD1-CD1 3.69Å; F89-I126 HydrophobicContact CD2-CD1 3.59Å; F89-I126 HydrophobicContact CE1-CD1 4.09Å; F89-I126 HydrophobicContact CE2-CD1 4.01Å; F89-I126 HydrophobicContact CG-CD1 3.4Å; F89-I126 VanDerWaalsContact CG-CD1 3.4Å; F89-I126 HydrophobicContact CZ-CD1 4.23Å; K124-I126 PolarHBondContact O-N 3.44Å; I126-T128 HydrophobicContact CG2-CG2 4.1Å; I126-R224 PolarHBondContact O-NH2 3.38Å
127I85.6Confident81.6Confident5 Ų553.3 Ų53.33%0.02628%0.275CS..  trans-113.5134.1165.3-59.5163.8000105.4I133 A175 M214 A217 Y218I127-I133 HydrophobicContact CG2-CD1 4.11Å; I127-A175 HydrophobicContact CG2-CB 3.95Å; I127-M214 HydrophobicContact CB-CG 4.29Å; I127-M214 HydrophobicContact CG2-CB 4.12Å; I127-M214 HydrophobicContact CG2-CG 3.82Å; I127-M214 HydrophobicContact CG2-SD 4.39Å; I127-M214 WeakPolarHBondContact O-CE 3.22Å; I127-A217 HydrophobicContact CD1-CB 3.35Å; I127-Y218 HydrophobicContact CB-CE2 4.01Å; I127-Y218 PolarHBondContact N-OH 3.26Å; I127-Y218 PolarHBondContact O-OH 3.22Å
128T84.3Confident82.2Confident19 Ų1955.5 Ų55.512%0.11728%0.284CS..  trans-114.2164169.8590000110.5K90 I126 D130 E131 A175K90-T128 VanDerWaalsContact CE-OG1 3.24Å; K90-T128 WeakPolarHBondContact CE-OG1 3.35Å; K90-T128 PolarHBondContact NZ-OG1 3.14Å; I126-T128 HydrophobicContact CG2-CG2 4.1Å; T128-D130 VanDerWaalsContact C-N 3.29Å; T128-D130 VanDerWaalsContact CB-OD1 3.27Å; T128-D130 WeakPolarHBondContact CB-OD1 3.49Å; T128-D130 PolarHBondContact O-N 2.72Å; T128-D130 PolarHBondContact OG1-OD1 2.89Å; T128-E131 PolarHBondContact O-N 3.49Å; T128-E131 PolarHBondContact OG1-OE1 2.87Å; T128-A175 VanDerWaalsContact O-CB 3.3Å; T128-A175 WeakPolarHBondContact O-CB 3.45Å
129D82.9Confident82.7Confident105 Ų10555.7 Ų55.756%0.56128%0.284SS*.THydrogen-bonded Turntrans-68.2-24.9-173.558.8-35.2000114A176 M214D129-A176 HydrophobicContact CB-CB 4.26Å; D129-M214 HydrophobicContact CB-SD 4.39Å
130D83.6Confident83.3Confident108 Ų10855.9 Ų55.958%0.57828%0.282SS*.THydrogen-bonded Turntrans-79.1-10173.871.9-60000114.9K90 T128K90-D130 IonicContact NZ-OD1 3.41Å; K90-D130 PolarHBondContact NZ-OD1 3.36Å; K90-D130 IonicContact NZ-OD2 3.3Å; K90-D130 PolarHBondContact NZ-OD2 3.4Å; T128-D130 VanDerWaalsContact C-N 3.29Å; T128-D130 VanDerWaalsContact CB-OD1 3.27Å; T128-D130 WeakPolarHBondContact CB-OD1 3.49Å; T128-D130 PolarHBondContact O-N 2.72Å; T128-D130 PolarHBondContact OG1-OD1 2.89Å
131E89.2Confident83.7Confident38 Ų3856.2 Ų56.218%0.17828%0.278CS..SBendtrans-77.2153-178.4-77.3179.8-155.700113.5K90 T128 P174 A175 R224K90-E131 WeakPolarHBondContact CE-OE1 3.35Å; K90-E131 IonicContact NZ-OE1 2.76Å; K90-E131 PolarHBondContact NZ-OE1 3.4Å; T128-E131 PolarHBondContact O-N 3.49Å; T128-E131 PolarHBondContact OG1-OE1 2.87Å; E131-P174 CarbonylContact O-C 3.48Å; E131-P174 WeakPolarHBondContact O-CA 3.26Å; E131-A175 WeakPolarHBondContact O-CB 3.45Å; E131-A175 PolarHBondContact O-N 3.27Å; E131-R224 IonicContact OE2-CZ 3.11Å; E131-R224 IonicContact OE2-NH2 3.23Å; E131-R224 PolarHBondContact OE2-NH2 3.23Å
132I92.9Very high83.7Confident101 Ų10158.2 Ų58.252%0.51828%0.284SS..EExtended strand (participates in β ladder)trans-93.1116.7171.7-58-57000109.1Q172 P174I132-Q172 HydrophobicContact CG2-CB 3.69Å; I132-Q172 HydrophobicContact CG2-CG 4.08Å; I132-P174 HydrophobicContact CD1-CB 4.42Å; I132-P174 HydrophobicContact CD1-CG 4.03Å
133I93.8Very high83.6Confident2 Ų255.9 Ų55.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-88.4128.5171.1-70.3176.9000108.9I127 C173 A175 L213 W222 L228I127-I133 HydrophobicContact CG2-CD1 4.11Å; I133-C173 PolarHBondContact N-O 3.48Å; I133-C173 PolarHBondContact O-N 3.31Å; I133-A175 HydrophobicContact CD1-CB 3.72Å; I133-A175 HydrophobicContact CG1-CB 4.03Å; I133-L213 HydrophobicContact CB-CD1 4.42Å; I133-L213 HydrophobicContact CD1-CB 3.74Å; I133-W222 HydrophobicContact CG1-CZ3 4.43Å; I133-W222 HydrophobicContact CG2-CH2 3.95Å; I133-W222 HydrophobicContact CG2-CZ3 4.16Å; I133-L228 HydrophobicContact CG2-CB 4.26Å; I133-L228 HydrophobicContact CG2-CD2 4.38Å
134S95.4Very high83.3Confident49 Ų4954.5 Ų54.534%0.34328%0.276SS..EExtended strand (participates in β ladder)trans-82.8123.8164.8-170.40000108.9P227 L228S134-P227 CarbonylContact O-C 3.55Å; S134-P227 VanDerWaalsContact O-CA 3.28Å; S134-P227 WeakPolarHBondContact O-CA 3.19Å; S134-L228 PolarHBondContact O-N 3.05Å
135L96.7Very high82.6Confident0 Ų057 Ų570%029%0.287CS..EExtended strand (participates in β ladder)trans-129.3159.8179.174.683.2000111.4I137 Y170 L171 C173 L182 L213 L228 L230L135-I137 HydrophobicContact CD1-CB 4.15Å; L135-Y170 WeakPolarHBondContact O-CA 3.49Å; L135-L171 HydrophobicContact CD1-CB 3.92Å; L135-L171 HydrophobicContact CD1-CD1 4.11Å; L135-L171 HydrophobicContact CD1-CG 4.41Å; L135-L171 HydrophobicContact CG-CB 4.03Å; L135-L171 PolarHBondContact N-O 2.9Å; L135-L171 PolarHBondContact O-N 2.77Å; L135-C173 HydrophobicContact CD2-CB 4.31Å; L135-L182 HydrophobicContact CD2-CD2 4.26Å; L135-L213 HydrophobicContact CD2-CD1 3.71Å; L135-L213 HydrophobicContact CD2-CD2 3.61Å; L135-L213 HydrophobicContact CD2-CG 4.35Å; L135-L228 WeakPolarHBondContact CA-O 3.36Å; L135-L228 HydrophobicContact CB-CB 3.95Å; L135-L230 HydrophobicContact CD1-CD1 4.36Å; L135-L230 HydrophobicContact CD2-CD1 4.26Å
136S96.7Very high81.6Confident2 Ų255.2 Ų55.21%0.01429%0.288CS..EExtended strand (participates in β ladder)trans-121.1143.6170.564.30000109.6K168 R169 Y170 L228 L230S136-K168 WeakPolarHBondContact OG-CE 3.45Å; S136-R169 CarbonylContact C-O 3.57Å; S136-R169 WeakPolarHBondContact CA-O 3.41Å; S136-Y170 VanDerWaalsContact CB-CE1 3.5Å; S136-L228 PolarHBondContact N-O 2.99Å; S136-L230 PolarHBondContact O-N 3.05Å
137I95.9Very high80.3Confident3 Ų360.4 Ų60.42%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-137.6123.1-179.2-159157.3000111.2L135 R169 L171 L186 V200 L230 Y232L135-I137 HydrophobicContact CD1-CB 4.15Å; I137-R169 HydrophobicContact CG2-CB 4.26Å; I137-R169 PolarHBondContact N-O 2.86Å; I137-R169 PolarHBondContact O-N 3.41Å; I137-L171 HydrophobicContact CG2-CD1 4.12Å; I137-L186 HydrophobicContact CD1-CD1 3.86Å; I137-L186 HydrophobicContact CD1-CD2 4.25Å; I137-L186 HydrophobicContact CD1-CG 4.32Å; I137-V200 HydrophobicContact CD1-CG1 4.37Å; I137-L230 VanDerWaalsContact CA-O 3.32Å; I137-L230 WeakPolarHBondContact CA-O 3.44Å; I137-L230 HydrophobicContact CD1-CB 4.32Å; I137-L230 HydrophobicContact CG1-CB 4.23Å; I137-Y232 HydrophobicContact CG1-CD1 4.1Å
138E94.6Very high78.8Confident48 Ų4864.6 Ų64.622%0.22433%0.332CS..EExtended strand (participates in β ladder)trans-128.5151.9-174.565.9-160.4-163.800111.3K168 L230 K231 Y232E138-K168 HydrophobicContact CB-CB 4.31Å; E138-K168 HydrophobicContact CB-CG 4.27Å; E138-K168 VanDerWaalsContact OE2-CD 3.26Å; E138-K168 WeakPolarHBondContact OE2-CD 3.29Å; E138-K168 WeakPolarHBondContact OE2-CE 3.47Å; E138-K168 IonicContact OE2-NZ 3.19Å; E138-K168 PolarHBondContact OE2-NZ 3.36Å; E138-L230 PolarHBondContact N-O 3.33Å; E138-K231 HydrophobicContact CG-CB 4.39Å; E138-K231 HydrophobicContact CG-CG 3.95Å; E138-K231 CarbonylContact O-C 3.56Å; E138-K231 VanDerWaalsContact O-CA 3.31Å; E138-K231 WeakPolarHBondContact O-CA 3.46Å; E138-Y232 WeakPolarHBondContact O-CD1 3.33Å; E138-Y232 PolarHBondContact O-N 3.16Å
139F92.3Very high77.5Confident79 Ų7967.4 Ų67.435%0.34635%0.349SS..EExtended strand (participates in β ladder)trans-74.8128.4174.7-177.8-99.4000110.2D141 Y232 V234F139-D141 HydrophobicContact CD1-CB 4.33Å; F139-D141 PolarHBondContact O-N 2.98Å; F139-Y232 HydrophobicContact CB-CE1 3.89Å; F139-Y232 HydrophobicContact CD2-CD2 4.31Å; F139-Y232 HydrophobicContact CD2-CE1 4.32Å; F139-Y232 AromaticContact CD2-CE2 3.79Å; F139-Y232 HydrophobicContact CD2-CE2 3.79Å; F139-Y232 AromaticContact CD2-CZ 3.78Å; F139-V234 HydrophobicContact CE2-CG2 4.21Å
140F87.1Confident76.1Confident33 Ų3369.4 Ų69.415%0.14536%0.357CS..  trans-73.794.8172.2179.4-91.8000109.3Q142 M201 D204 K231 Y232 R233F140-Q142 HydrophobicContact CE1-CB 4.18Å; F140-Q142 HydrophobicContact CE1-CG 4.22Å; F140-M201 HydrophobicContact CB-CE 3.47Å; F140-M201 VanDerWaalsContact CB-CE 3.47Å; F140-M201 HydrophobicContact CD1-CE 4.1Å; F140-M201 HydrophobicContact CD2-CE 3.68Å; F140-M201 HydrophobicContact CE2-CE 4.44Å; F140-M201 HydrophobicContact CG-CE 3.49Å; F140-M201 VanDerWaalsContact CG-CE 3.49Å; F140-D204 WeakPolarHBondContact CE2-OD1 3.32Å; F140-K231 HydrophobicContact CB-CB 4.31Å; F140-K231 HydrophobicContact CD2-CD 3.81Å; F140-Y232 PolarHBondContact N-O 2.75Å; F140-R233 HydrophobicContact CB-CB 4.18Å; F140-R233 HydrophobicContact CD1-CB 4.36Å
141D76.3Confident74.7Confident51 Ų5170.5 Ų70.527%0.27336%0.359SS..  trans-81.1117.7166.8169.939.5000110.5F139 T143 S144F139-D141 HydrophobicContact CD1-CB 4.33Å; F139-D141 PolarHBondContact O-N 2.98Å; D141-T143 PolarHBondContact O-N 3.45Å; D141-T143 WeakPolarHBondContact OD1-CB 3.25Å; D141-T143 PolarHBondContact OD1-N 3.36Å; D141-T143 PolarHBondContact OD1-OG1 3.03Å; D141-T143 VanDerWaalsContact OD2-CB 3.29Å; D141-T143 WeakPolarHBondContact OD2-CB 3.35Å; D141-S144 PolarHBondContact O-N 2.91Å; D141-S144 WeakPolarHBondContact OD2-CB 3.2Å; D141-S144 PolarHBondContact OD2-N 3.41Å; D141-S144 PolarHBondContact OD2-OG 2.65Å
142Q62.9Low73.1Confident147 Ų14776 Ų7669%0.68739%0.389SS*.Hα-helixtrans-70.2-18.4178.5-157.7163.16.400112.3F140F140-Q142 HydrophobicContact CE1-CB 4.18Å; F140-Q142 HydrophobicContact CE1-CG 4.22Å
143T56.9Low71.3Confident86 Ų8677.4 Ų77.453%0.52840%0.402SS..Hα-helixtrans-74.1-36.9175-28.90000111.9D141 F145 N146 K147D141-T143 PolarHBondContact O-N 3.45Å; D141-T143 WeakPolarHBondContact OD1-CB 3.25Å; D141-T143 PolarHBondContact OD1-N 3.36Å; D141-T143 PolarHBondContact OD1-OG1 3.03Å; D141-T143 VanDerWaalsContact OD2-CB 3.29Å; D141-T143 WeakPolarHBondContact OD2-CB 3.35Å; T143-F145 VanDerWaalsContact C-N 3.32Å; T143-F145 PolarHBondContact O-N 3.42Å; T143-N146 PolarHBondContact O-N 3Å; T143-N146 VanDerWaalsContact O-N 3.15Å; T143-K147 PolarHBondContact O-N 3.5Å
144S56.7Low69Low51 Ų5179.1 Ų79.136%0.35742%0.42SS..Hα-helixtrans-65.2-33.1179.2-65.80000112.6D141 N146 K147 N148D141-S144 PolarHBondContact O-N 2.91Å; D141-S144 WeakPolarHBondContact OD2-CB 3.2Å; D141-S144 PolarHBondContact OD2-N 3.41Å; D141-S144 PolarHBondContact OD2-OG 2.65Å; S144-N146 VanDerWaalsContact C-N 3.33Å; S144-N146 PolarHBondContact O-N 3.42Å; S144-K147 PolarHBondContact O-N 3.39Å; S144-N148 PolarHBondContact O-N 2.85Å; S144-N148 VanDerWaalsContact O-N 3.1Å; S144-N148 PolarHBondContact O-OD1 3.3Å; S144-N148 VanDerWaalsContact O-OD1 3.13Å
145F55.6Low66.9Low113 Ų11380.9 Ų80.950%0.49645%0.445SS..Hα-helixtrans-59.6-44.2171.5-167.6-83.9000111.6T143 N148 V149T143-F145 VanDerWaalsContact C-N 3.32Å; T143-F145 PolarHBondContact O-N 3.42Å; F145-N148 PolarHBondContact O-N 3.11Å; F145-V149 HydrophobicContact CD1-CG2 4.38Å; F145-V149 HydrophobicContact CE1-CG2 4.21Å; F145-V149 WeakPolarHBondContact O-CG2 3.26Å; F145-V149 PolarHBondContact O-N 3.1Å
146N52.1Low64.4Low106 Ų10686.5 Ų86.557%0.56748%0.48SS*.Hα-helixtrans-69-33.2177.6-67-20.6000112.6T143 S144 V149 M150T143-N146 PolarHBondContact O-N 3Å; T143-N146 VanDerWaalsContact O-N 3.15Å; S144-N146 VanDerWaalsContact C-N 3.33Å; S144-N146 PolarHBondContact O-N 3.42Å; N146-V149 PolarHBondContact O-N 3.18Å; N146-M150 WeakPolarHBondContact O-CB 3.3Å; N146-M150 PolarHBondContact O-N 3.41Å
147K55.3Low62.6Low123 Ų12395.8 Ų95.854%0.53552%0.523SS..Hα-helixtrans-61.1-48.9173.1-75.3-172.6173.2-172.80111.7T143 S144 V149 M150 E151T143-K147 PolarHBondContact O-N 3.5Å; S144-K147 PolarHBondContact O-N 3.39Å; K147-V149 VanDerWaalsContact C-N 3.28Å; K147-V149 PolarHBondContact O-N 3.09Å; K147-M150 CarbonylContact O-C 3.42Å; K147-M150 WeakPolarHBondContact O-CA 3.44Å; K147-M150 WeakPolarHBondContact O-CB 3.34Å; K147-M150 PolarHBondContact O-N 2.82Å; K147-E151 WeakPolarHBondContact O-CB 3.44Å; K147-E151 PolarHBondContact O-N 3.08Å
148N53.4Low60Low92 Ų92102.5 Ų102.549%0.49256%0.559SS.*Hα-helixtrans-62.7-35.2-178.8-62.46.9000112.1S144 F145 L152S144-N148 PolarHBondContact O-N 2.85Å; S144-N148 VanDerWaalsContact O-N 3.1Å; S144-N148 PolarHBondContact O-OD1 3.3Å; S144-N148 VanDerWaalsContact O-OD1 3.13Å; F145-N148 PolarHBondContact O-N 3.11Å; N148-L152 WeakPolarHBondContact O-CG 3.42Å; N148-L152 PolarHBondContact O-N 2.89Å
149V57.6Low57.9Low78 Ų78109.4 Ų109.447%0.47359%0.588SS.*Hα-helixtrans-68-36.5172.8174.10000111.7F145 N146 K147 V153F145-V149 HydrophobicContact CD1-CG2 4.38Å; F145-V149 HydrophobicContact CE1-CG2 4.21Å; F145-V149 WeakPolarHBondContact O-CG2 3.26Å; F145-V149 PolarHBondContact O-N 3.1Å; N146-V149 PolarHBondContact O-N 3.18Å; K147-V149 VanDerWaalsContact C-N 3.28Å; K147-V149 PolarHBondContact O-N 3.09Å; V149-V153 WeakPolarHBondContact O-CG2 3.26Å
150M52.6Low55.8Low147 Ų147111.4 Ų111.472%0.72460%0.599SS**Hα-helixtrans-73.1-36.9177.6-170169.9173.200112.3N146 K147 L152 V153 G154N146-M150 WeakPolarHBondContact O-CB 3.3Å; N146-M150 PolarHBondContact O-N 3.41Å; K147-M150 CarbonylContact O-C 3.42Å; K147-M150 WeakPolarHBondContact O-CA 3.44Å; K147-M150 WeakPolarHBondContact O-CB 3.34Å; K147-M150 PolarHBondContact O-N 2.82Å; M150-L152 VanDerWaalsContact C-N 3.33Å; M150-L152 PolarHBondContact O-N 2.93Å; M150-V153 CarbonylContact O-C 3.59Å; M150-V153 PolarHBondContact O-N 3.34Å; M150-V153 VanDerWaalsContact O-N 3.08Å; M150-G154 PolarHBondContact O-N 3.37Å
151E54.1Low53.9Low131 Ų131116.3 Ų116.361%0.61263%0.631SS**Hα-helixtrans-65.8-32.7175.3-169.9172.2-161.600112.2K147 V153K147-E151 WeakPolarHBondContact O-CB 3.44Å; K147-E151 PolarHBondContact O-N 3.08Å; E151-V153 PolarHBondContact O-N 3.01Å
152L55.5Low52.3Low154 Ų154122.6 Ų122.681%0.80666%0.656SS**THydrogen-bonded Turntrans-70.5-12.4170.8-79.6166.4000114.5N148 M150N148-L152 WeakPolarHBondContact O-CG 3.42Å; N148-L152 PolarHBondContact O-N 2.89Å; M150-L152 VanDerWaalsContact C-N 3.33Å; M150-L152 PolarHBondContact O-N 2.93Å
153V55.7Low51.4Low131 Ų131121.3 Ų121.379%0.79465%0.654SS**THydrogen-bonded Turntrans-117-25.9-175.9176.60000112.4V149 M150 E151V149-V153 WeakPolarHBondContact O-CG2 3.26Å; M150-V153 CarbonylContact O-C 3.59Å; M150-V153 PolarHBondContact O-N 3.34Å; M150-V153 VanDerWaalsContact O-N 3.08Å; E151-V153 PolarHBondContact O-N 3.01Å
154G46.6Very low51Low37 Ų37124.5 Ų124.538%0.38166%0.663SS.*SBendtrans-125.4100.6177.600000111.6M150 V156M150-G154 PolarHBondContact O-N 3.37Å; G154-V156 PolarHBondContact O-N 3.33Å; G154-V156 VanDerWaalsContact O-N 3.08Å
155G51Low50.6Low86 Ų86126.6 Ų126.689%0.88767%0.674SS**  trans-68.2102.8174.500000111.7
156V43.4Very low50.6Low119 Ų119125.3 Ų125.372%0.72168%0.684SS**  trans-133.6114.7170.7-177.70000108.1G154 D158G154-V156 PolarHBondContact O-N 3.33Å; G154-V156 VanDerWaalsContact O-N 3.08Å; V156-D158 PolarHBondContact O-N 3.37Å
157E58.3Low51.7Low196 Ų196124.5 Ų124.592%0.91668%0.679SS**  trans-73.3117.1171.3-61.1-174.9119.800109.9
158D41.5Very low53.4Low145 Ų145121.5 Ų121.578%0.77567%0.666SS**  trans-148.1156.3161.8-145.5-15.3000114.1V156 Q160V156-D158 PolarHBondContact O-N 3.37Å; D158-Q160 PolarHBondContact O-N 3.29Å
159K51.3Low55.3Low192 Ų192123.3 Ų123.384%0.83567%0.666SS**  trans-91.377.7-156.8-67.1166.7-178.91630113.3
160Q47.4Very low57.1Low122 Ų122126.1 Ų126.157%0.5767%0.669SS**  trans-118.142.7174.3-68.4-155.7-21.800115.9D158 K162D158-Q160 PolarHBondContact O-N 3.29Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 3.23Å
161T47.8Very low59.2Low135 Ų135121.2 Ų121.283%0.82865%0.646SS**THydrogen-bonded Turntrans-80.10.4175.944.20000115.8
162K42.3Very low61.2Low183 Ų183122.4 Ų122.480%0.79665%0.651SS**THydrogen-bonded Turntrans-101-47.2179.3-99.1-175.5174.5-179.50115.2Q160 V165Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 3.23Å; K162-V165 PolarHBondContact O-N 2.92Å
163D45.2Very low63.1Low121 Ų121115.5 Ų115.565%0.64762%0.616SS**G310 helixtrans-74.9-28.3-170.3-72.8-35.8000114.3V165 A166D163-V165 PolarHBondContact O-N 2.65Å; D163-V165 VanDerWaalsContact O-N 3.11Å; D163-A166 WeakPolarHBondContact O-CB 3.44Å; D163-A166 PolarHBondContact O-N 2.99Å
164Q47.6Very low65.1Low152 Ų152112.2 Ų112.271%0.7160%0.598SS**G310 helixtrans-59.7-25.7177.8-61.6-167.120.400112.8A166Q164-A166 VanDerWaalsContact C-N 3.3Å; Q164-A166 PolarHBondContact O-N 3.44Å
165V48.9Very low67.3Low96 Ų96110.5 Ų110.558%0.58258%0.579SS**G310 helixtrans-70.9-25.1178.5-169.50000112K162 D163 N167K162-V165 PolarHBondContact O-N 2.92Å; D163-V165 PolarHBondContact O-N 2.65Å; D163-V165 VanDerWaalsContact O-N 3.11Å; V165-N167 PolarHBondContact O-N 2.89Å
166A54.6Low69.4Low86 Ų86108.7 Ų108.771%0.71156%0.556SS**G310 helixtrans-72.3-21.3-169.100000114.9D163 Q164D163-A166 WeakPolarHBondContact O-CB 3.44Å; D163-A166 PolarHBondContact O-N 2.99Å; Q164-A166 VanDerWaalsContact C-N 3.3Å; Q164-A166 PolarHBondContact O-N 3.44Å
167N76.6Confident71.9Confident88 Ų88105.3 Ų105.347%0.47153%0.533SS..G310 helixtrans-95.84-174.4-150.51.2000114.1V165V165-N167 PolarHBondContact O-N 2.89Å
168K89.3Confident73.7Confident61 Ų6197 Ų9727%0.26550%0.496SS..EExtended strand (participates in β ladder)trans-108117.8-177.9-168.1165.7-165.8132.30110.8S136 E138 Y170S136-K168 WeakPolarHBondContact OG-CE 3.45Å; E138-K168 HydrophobicContact CB-CB 4.31Å; E138-K168 HydrophobicContact CB-CG 4.27Å; E138-K168 VanDerWaalsContact OE2-CD 3.26Å; E138-K168 WeakPolarHBondContact OE2-CD 3.29Å; E138-K168 WeakPolarHBondContact OE2-CE 3.47Å; E138-K168 IonicContact OE2-NZ 3.19Å; E138-K168 PolarHBondContact OE2-NZ 3.36Å; K168-Y170 HydrophobicContact CG-CE2 4.43Å
169R93.6Very high76.4Confident129 Ų12990.1 Ų90.149%0.48746%0.459SS..EExtended strand (participates in β ladder)trans-102.7141.8178.4-58.1-176.4-170.3-92.74.2110S136 I137S136-R169 CarbonylContact C-O 3.57Å; S136-R169 WeakPolarHBondContact CA-O 3.41Å; I137-R169 HydrophobicContact CG2-CB 4.26Å; I137-R169 PolarHBondContact N-O 2.86Å; I137-R169 PolarHBondContact O-N 3.41Å
170Y95.9Very high78.6Confident137 Ų13784.2 Ų84.254%0.53744%0.435SS..EExtended strand (participates in β ladder)trans-106143.4176.6-60.5-85.1000110.5L135 S136 K168 P227L135-Y170 WeakPolarHBondContact O-CA 3.49Å; S136-Y170 VanDerWaalsContact CB-CE1 3.5Å; K168-Y170 HydrophobicContact CG-CE2 4.43Å; Y170-P227 HydrophobicContact CD1-CB 4.34Å; Y170-P227 HydrophobicContact CD1-CG 3.8Å; Y170-P227 HydrophobicContact CE1-CG 3.67Å
171L96.3Very high81Confident44 Ų4482.6 Ų82.623%0.2343%0.427CS..EExtended strand (participates in β ladder)trans-139.7143.5-178.5-66.4172.2000110.1L135 I137 F185L135-L171 HydrophobicContact CD1-CB 3.92Å; L135-L171 HydrophobicContact CD1-CD1 4.11Å; L135-L171 HydrophobicContact CD1-CG 4.41Å; L135-L171 HydrophobicContact CG-CB 4.03Å; L135-L171 PolarHBondContact N-O 2.9Å; L135-L171 PolarHBondContact O-N 2.77Å; I137-L171 HydrophobicContact CG2-CD1 4.12Å; L171-F185 HydrophobicContact CD1-CD1 4.36Å; L171-F185 HydrophobicContact CD1-CE1 3.78Å; L171-F185 HydrophobicContact CD1-CZ 4.23Å; L171-F185 HydrophobicContact CD2-CZ 4.17Å
172Q96.7Very high83.4Confident156 Ų15676.2 Ų76.273%0.72939%0.388SS*.EExtended strand (participates in β ladder)trans-104128.8163.7-79.7-178.2-22.400108.2I132I132-Q172 HydrophobicContact CG2-CB 3.69Å; I132-Q172 HydrophobicContact CG2-CG 4.08Å
173C96.1Very high86Confident9 Ų969.8 Ų69.86%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-143.4140.3-173.6-72.40000110.6I133 L135 M177 L213I133-C173 PolarHBondContact N-O 3.48Å; I133-C173 PolarHBondContact O-N 3.31Å; L135-C173 HydrophobicContact CD2-CB 4.31Å; C173-M177 HydrophobicContact CB-CE 3.89Å; C173-M177 HydrophobicContact CB-SD 3.96Å; C173-M177 VanDerWaalsContact SG-SD 3.68Å; C173-L213 HydrophobicContact CB-CD1 3.41Å; C173-L213 VanDerWaalsContact CB-CD1 3.41Å
174P96.2Very high88.4Confident63 Ų6370.5 Ų70.541%0.40936%0.356SS..EExtended strand (participates in β ladder)trans-55.4139.9170.3-25.434.8000111.6E131 I132 A176 M177E131-P174 CarbonylContact O-C 3.48Å; E131-P174 WeakPolarHBondContact O-CA 3.26Å; I132-P174 HydrophobicContact CD1-CB 4.42Å; I132-P174 HydrophobicContact CD1-CG 4.03Å; P174-A176 PolarHBondContact O-N 3.4Å; P174-M177 WeakPolarHBondContact O-CB 3.44Å; P174-M177 PolarHBondContact O-N 3Å
175A94.3Very high90.8Very high0 Ų067.2 Ų67.20%034%0.34CS..THydrogen-bonded Turntrans-61.1-29.3-174.500000112.6I127 T128 E131 I133 M177 T212 L213 M214I127-A175 HydrophobicContact CG2-CB 3.95Å; T128-A175 VanDerWaalsContact O-CB 3.3Å; T128-A175 WeakPolarHBondContact O-CB 3.45Å; E131-A175 WeakPolarHBondContact O-CB 3.45Å; E131-A175 PolarHBondContact O-N 3.27Å; I133-A175 HydrophobicContact CD1-CB 3.72Å; I133-A175 HydrophobicContact CG1-CB 4.03Å; A175-M177 PolarHBondContact O-N 3.46Å; A175-T212 WeakPolarHBondContact O-CB 3.33Å; A175-L213 PolarHBondContact O-N 2.98Å; A175-L213 VanDerWaalsContact O-N 3.16Å; A175-M214 HydrophobicContact CB-CB 4.12Å; A175-M214 PolarHBondContact O-N 2.76Å
176A93.9Very high93Very high49 Ų4962.9 Ų62.941%0.40531%0.313SS..THydrogen-bonded Turntrans-69.5-5.6171.300000115.5D129 P174D129-A176 HydrophobicContact CB-CB 4.26Å; P174-A176 PolarHBondContact O-N 3.4Å
177M95.8Very high95Very high48 Ų4861.5 Ų61.524%0.23629%0.29CS..  trans-66.3135.4176.6-175.3179.6-66.500110.7C173 P174 A175 H181 L182 T212 L213C173-M177 HydrophobicContact CB-CE 3.89Å; C173-M177 HydrophobicContact CB-SD 3.96Å; C173-M177 VanDerWaalsContact SG-SD 3.68Å; P174-M177 WeakPolarHBondContact O-CB 3.44Å; P174-M177 PolarHBondContact O-N 3Å; A175-M177 PolarHBondContact O-N 3.46Å; M177-H181 HydrophobicContact CG-CB 3.61Å; M177-H181 HydrophobicContact SD-CB 4.19Å; M177-L182 HydrophobicContact SD-CD2 3.89Å; M177-L182 HydrophobicContact SD-CG 4.44Å; M177-T212 CarbonylContact O-C 3.52Å; M177-T212 VanDerWaalsContact O-CA 3.23Å; M177-T212 WeakPolarHBondContact O-CA 3.25Å; M177-L213 HydrophobicContact CB-CD1 4.05Å; M177-L213 HydrophobicContact CB-CG 4.38Å; M177-L213 PolarHBondContact O-N 3.19Å
178T97.4Very high95.9Very high21 Ų2162.2 Ų62.213%0.12930%0.302CS..BIsolated β-bridgetrans-94.5160-177.661.60000113.9M180 H181 L182 Y211 T212T178-M180 PolarHBondContact O-N 2.77Å; T178-H181 WeakPolarHBondContact O-CA 3.4Å; T178-H181 WeakPolarHBondContact O-CB 3.42Å; T178-H181 PolarHBondContact O-N 2.79Å; T178-H181 PolarHBondContact OG1-CD2 3.47Å; T178-H181 VanDerWaalsContact OG1-CG 3.24Å; T178-H181 PolarHBondContact OG1-N 2.83Å; T178-H181 PolarHBondContact OG1-ND1 3.11Å; T178-H181 PolarHBondContact OG1-NE2 2.88Å; T178-L182 PolarHBondContact O-N 2.85Å; T178-L182 VanDerWaalsContact O-N 3.1Å; T178-Y211 CarbonylContact C-O 3.59Å; T178-Y211 VanDerWaalsContact CA-O 3.25Å; T178-Y211 WeakPolarHBondContact CA-O 3.38Å; T178-T212 HydrophobicContact CG2-CG2 4.15Å
179V97.5Very high96.2Very high0 Ų065.3 Ų65.30%032%0.315CS..Hα-helixtrans-53.1-37.3166.9170.30000111.7H181 L182 R183 V200 L207 K208 Y211 I216V179-H181 VanDerWaalsContact C-N 3.3Å; V179-H181 PolarHBondContact O-N 3.49Å; V179-L182 PolarHBondContact O-N 3.15Å; V179-R183 WeakPolarHBondContact O-CB 3.37Å; V179-R183 PolarHBondContact O-N 2.91Å; V179-V200 HydrophobicContact CG1-CB 4.12Å; V179-V200 HydrophobicContact CG1-CG2 4.36Å; V179-L207 HydrophobicContact CG1-CB 4.3Å; V179-L207 HydrophobicContact CG2-CB 3.85Å; V179-L207 HydrophobicContact CG2-CD1 4.25Å; V179-K208 VanDerWaalsContact CB-O 3.31Å; V179-K208 WeakPolarHBondContact CB-O 3.21Å; V179-K208 WeakPolarHBondContact CG2-O 3.42Å; V179-Y211 PolarHBondContact N-O 3.33Å; V179-I216 HydrophobicContact CG2-CD1 3.82Å
180M97.1Very high96.1Very high69 Ų6962.8 Ų62.834%0.3431%0.31SS..Hα-helixtrans-59.1-39.3172.7174.4-179.552.700112.2T178 R183 K184 D209T178-M180 PolarHBondContact O-N 2.77Å; M180-R183 PolarHBondContact O-N 2.75Å; M180-K184 HydrophobicContact CG-CD 4.32Å; M180-K184 WeakPolarHBondContact O-CG 3.37Å; M180-K184 PolarHBondContact O-N 3.15Å; M180-D209 HydrophobicContact CB-CB 4.36Å; M180-D209 WeakPolarHBondContact CB-O 3.48Å; M180-D209 PolarHBondContact N-O 3Å
181H97.9Very high96Very high87 Ų8763 Ų6340%0.40332%0.321SS..Hα-helixtrans-68.2-46.2177.6-59168.5000110.9M177 T178 V179 R183 K184 F185M177-H181 HydrophobicContact CG-CB 3.61Å; M177-H181 HydrophobicContact SD-CB 4.19Å; T178-H181 WeakPolarHBondContact O-CA 3.4Å; T178-H181 WeakPolarHBondContact O-CB 3.42Å; T178-H181 PolarHBondContact O-N 2.79Å; T178-H181 PolarHBondContact OG1-CD2 3.47Å; T178-H181 VanDerWaalsContact OG1-CG 3.24Å; T178-H181 PolarHBondContact OG1-N 2.83Å; T178-H181 PolarHBondContact OG1-ND1 3.11Å; T178-H181 PolarHBondContact OG1-NE2 2.88Å; V179-H181 VanDerWaalsContact C-N 3.3Å; V179-H181 PolarHBondContact O-N 3.49Å; H181-R183 VanDerWaalsContact C-N 3.29Å; H181-R183 PolarHBondContact O-N 3.33Å; H181-K184 PolarHBondContact O-N 2.98Å; H181-F185 WeakPolarHBondContact O-CB 3.47Å; H181-F185 PolarHBondContact O-N 3.39Å
182L97.6Very high95.9Very high2 Ų261.8 Ų61.81%0.0131%0.314CS..Hα-helixtrans-56.8-41.9173.6-68.1-178.3000112.2L135 M177 T178 V179 F185 L186 V200 L213 L230L135-L182 HydrophobicContact CD2-CD2 4.26Å; M177-L182 HydrophobicContact SD-CD2 3.89Å; M177-L182 HydrophobicContact SD-CG 4.44Å; T178-L182 PolarHBondContact O-N 2.85Å; T178-L182 VanDerWaalsContact O-N 3.1Å; V179-L182 PolarHBondContact O-N 3.15Å; L182-F185 WeakPolarHBondContact O-CB 3.42Å; L182-F185 PolarHBondContact O-N 2.84Å; L182-L186 WeakPolarHBondContact O-CB 3.38Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 3.27Å; L182-V200 HydrophobicContact CB-CG2 4.16Å; L182-V200 HydrophobicContact CD1-CG1 4.18Å; L182-L213 HydrophobicContact CD1-CD2 4.05Å; L182-L230 HydrophobicContact CD1-CD1 3.49Å; L182-L230 VanDerWaalsContact CD1-CD1 3.49Å
183R96.9Very high95.8Very high47 Ų4757.8 Ų57.818%0.17730%0.301CS..Hα-helixtrans-64-43.5177.4-167.2-170-62.6115.7-2.5112.5V179 M180 H181 L186 R187 V198 V200 D209V179-R183 WeakPolarHBondContact O-CB 3.37Å; V179-R183 PolarHBondContact O-N 2.91Å; M180-R183 PolarHBondContact O-N 2.75Å; H181-R183 VanDerWaalsContact C-N 3.29Å; H181-R183 PolarHBondContact O-N 3.33Å; R183-L186 PolarHBondContact O-N 2.71Å; R183-R187 WeakPolarHBondContact O-CB 3.22Å; R183-R187 PolarHBondContact O-N 3.11Å; R183-V198 WeakPolarHBondContact CD-O 3.26Å; R183-V198 HydrophobicContact CG-CB 3.72Å; R183-V198 HydrophobicContact CG-CG1 3.98Å; R183-V198 WeakPolarHBondContact CG-O 3.29Å; R183-V198 PolarHBondContact NE-O 2.64Å; R183-V200 HydrophobicContact CB-CG2 4.47Å; R183-D209 IonicContact CZ-OD1 3.53Å; R183-D209 IonicContact CZ-OD2 2.72Å; R183-D209 IonicContact NH1-OD1 3.81Å; R183-D209 PolarHBondContact NH1-OD1 3.45Å; R183-D209 IonicContact NH1-OD2 3.42Å; R183-D209 PolarHBondContact NH1-OD2 2.87Å; R183-D209 IonicContact NH2-OD1 2.65Å; R183-D209 PolarHBondContact NH2-OD1 3.48Å; R183-D209 IonicContact NH2-OD2 2.74Å
184K96.9Very high95.6Very high136 Ų13663 Ų6359%0.59133%0.329SS*.Hα-helixtrans-63.6-43.1176.2-74.3175.1178.7178.40110.9M180 H181 R187 S188M180-K184 HydrophobicContact CG-CD 4.32Å; M180-K184 WeakPolarHBondContact O-CG 3.37Å; M180-K184 PolarHBondContact O-N 3.15Å; H181-K184 PolarHBondContact O-N 2.98Å; K184-R187 PolarHBondContact O-N 2.8Å; K184-S188 PolarHBondContact O-N 3.34Å
185F97.1Very high95.5Very high83 Ų8364.4 Ų64.436%0.36434%0.336SS..Hα-helixtrans-58-53.6173.5168.7-97.6000111.7L171 H181 L182 R187 S188 K189L171-F185 HydrophobicContact CD1-CD1 4.36Å; L171-F185 HydrophobicContact CD1-CE1 3.78Å; L171-F185 HydrophobicContact CD1-CZ 4.23Å; L171-F185 HydrophobicContact CD2-CZ 4.17Å; H181-F185 WeakPolarHBondContact O-CB 3.47Å; H181-F185 PolarHBondContact O-N 3.39Å; L182-F185 WeakPolarHBondContact O-CB 3.42Å; L182-F185 PolarHBondContact O-N 2.84Å; F185-R187 VanDerWaalsContact C-N 3.35Å; F185-R187 PolarHBondContact O-N 3.27Å; F185-S188 PolarHBondContact O-N 2.99Å; F185-K189 HydrophobicContact CE1-CB 4.41Å; F185-K189 HydrophobicContact CE1-CG 4.47Å; F185-K189 HydrophobicContact CE2-CB 4.34Å; F185-K189 HydrophobicContact CE2-CG 4.42Å; F185-K189 HydrophobicContact CZ-CB 4.22Å; F185-K189 HydrophobicContact CZ-CG 4.04Å; F185-K189 WeakPolarHBondContact O-CB 3.46Å; F185-K189 PolarHBondContact O-N 3.06Å
186L95.8Very high95.4Very high5 Ų569.1 Ų69.13%0.02635%0.354CS..Hα-helixtrans-58.1-44.9178.3-75.3168.3000112.2I137 L182 R183 S188 K189 M190 V198 V200 Y232I137-L186 HydrophobicContact CD1-CD1 3.86Å; I137-L186 HydrophobicContact CD1-CD2 4.25Å; I137-L186 HydrophobicContact CD1-CG 4.32Å; L182-L186 WeakPolarHBondContact O-CB 3.38Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 3.27Å; R183-L186 PolarHBondContact O-N 2.71Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.09Å; L186-K189 PolarHBondContact O-N 3.42Å; L186-M190 WeakPolarHBondContact O-CB 3.39Å; L186-M190 PolarHBondContact O-N 3.45Å; L186-V198 HydrophobicContact CB-CG1 4.12Å; L186-V198 HydrophobicContact CD1-CG1 4.08Å; L186-V200 HydrophobicContact CD1-CG2 3.93Å; L186-Y232 HydrophobicContact CD1-CD1 4.23Å; L186-Y232 HydrophobicContact CD1-CD2 3.91Å; L186-Y232 HydrophobicContact CD1-CG 3.63Å; L186-Y232 HydrophobicContact CD2-CD1 3.86Å; L186-Y232 HydrophobicContact CD2-CD2 4.07Å; L186-Y232 HydrophobicContact CD2-CE1 3.93Å; L186-Y232 HydrophobicContact CD2-CE2 4.12Å; L186-Y232 HydrophobicContact CD2-CG 3.95Å; L186-Y232 HydrophobicContact CG-CD2 4.46Å; L186-Y232 HydrophobicContact CG-CG 4.4Å
187R96Very high95.4Very high58 Ų5871 Ų7122%0.21936%0.355CS..Hα-helixtrans-56.8-47.5177.4-178.5177.9-66.5-75.48.4111.5R183 K184 F185 D191 I192 P193 Y196R183-R187 WeakPolarHBondContact O-CB 3.22Å; R183-R187 PolarHBondContact O-N 3.11Å; K184-R187 PolarHBondContact O-N 2.8Å; F185-R187 VanDerWaalsContact C-N 3.35Å; F185-R187 PolarHBondContact O-N 3.27Å; R187-D191 WeakPolarHBondContact O-CA 3.39Å; R187-D191 PolarHBondContact O-N 3.08Å; R187-I192 HydrophobicContact CG-CB 4.3Å; R187-I192 VanDerWaalsContact CG-O 3.29Å; R187-I192 WeakPolarHBondContact CG-O 3.35Å; R187-I192 PolarHBondContact NH1-O 3.35Å; R187-I192 PolarHBondContact O-N 3.46Å; R187-P193 VanDerWaalsContact NH1-C 3.29Å; R187-P193 PolarHBondContact NH1-O 3.19Å; R187-Y196 PolarHBondContact NH1-O 3.47Å; R187-Y196 PolarHBondContact NH2-O 3.26Å
188S96.4Very high95.4Very high102 Ų10268.8 Ų68.871%0.71334%0.344SS*.Hα-helixtrans-73.2-37.3179.6174.40000112.8K184 F185 L186K184-S188 PolarHBondContact O-N 3.34Å; F185-S188 PolarHBondContact O-N 2.99Å; L186-S188 VanDerWaalsContact C-N 3.34Å; L186-S188 PolarHBondContact O-N 3.09Å
189K94.4Very high95.3Very high126 Ų12668.8 Ų68.855%0.54834%0.343SS..Hα-helixtrans-75.9-24.1-174.9-174.355.2-179.31740113.6F185 L186F185-K189 HydrophobicContact CE1-CB 4.41Å; F185-K189 HydrophobicContact CE1-CG 4.47Å; F185-K189 HydrophobicContact CE2-CB 4.34Å; F185-K189 HydrophobicContact CE2-CG 4.42Å; F185-K189 HydrophobicContact CZ-CB 4.22Å; F185-K189 HydrophobicContact CZ-CG 4.04Å; F185-K189 WeakPolarHBondContact O-CB 3.46Å; F185-K189 PolarHBondContact O-N 3.06Å; L186-K189 PolarHBondContact O-N 3.42Å
190M92.6Very high95.3Very high76 Ų7668.9 Ų68.937%0.37434%0.343SS..THydrogen-bonded Turntrans-116.114.3-179.8-55.3-61.6-6000112.5L186 I192L186-M190 WeakPolarHBondContact O-CB 3.39Å; L186-M190 PolarHBondContact O-N 3.45Å; M190-I192 VanDerWaalsContact C-N 3.33Å; M190-I192 HydrophobicContact CB-CD1 3.9Å; M190-I192 HydrophobicContact CB-CG1 3.86Å; M190-I192 PolarHBondContact O-N 2.91Å
191D94.4Very high95.3Very high143 Ų14365.6 Ų65.677%0.76533%0.327SS*.THydrogen-bonded Turntrans43.247.9-178.5-161.330.2000115.4R187 P193R187-D191 WeakPolarHBondContact O-CA 3.39Å; R187-D191 PolarHBondContact O-N 3.08Å; D191-P193 VanDerWaalsContact O-CD 3.28Å; D191-P193 WeakPolarHBondContact O-CD 3.24Å
192I93.7Very high95.2Very high17 Ų1762.5 Ų62.59%0.08731%0.312CS..  trans-81.2118.7-171.2-59.2166.9000109.9R187 M190 V198 V234R187-I192 HydrophobicContact CG-CB 4.3Å; R187-I192 VanDerWaalsContact CG-O 3.29Å; R187-I192 WeakPolarHBondContact CG-O 3.35Å; R187-I192 PolarHBondContact NH1-O 3.35Å; R187-I192 PolarHBondContact O-N 3.46Å; M190-I192 VanDerWaalsContact C-N 3.33Å; M190-I192 HydrophobicContact CB-CD1 3.9Å; M190-I192 HydrophobicContact CB-CG1 3.86Å; M190-I192 PolarHBondContact O-N 2.91Å; I192-V198 HydrophobicContact CB-CG2 4.24Å; I192-V198 HydrophobicContact CD1-CG2 3.66Å; I192-V198 HydrophobicContact CG2-CG2 3.81Å; I192-V234 HydrophobicContact CD1-CG2 3.71Å; I192-V234 HydrophobicContact CG2-CG1 3.81Å
193P94.3Very high94.8Very high72 Ų7268.1 Ų68.147%0.46834%0.338SS..  trans-65.6155.3-176.4-24.336000114R187 D191 T195 Y196R187-P193 VanDerWaalsContact NH1-C 3.29Å; R187-P193 PolarHBondContact NH1-O 3.19Å; D191-P193 VanDerWaalsContact O-CD 3.28Å; D191-P193 WeakPolarHBondContact O-CD 3.24Å; P193-T195 PolarHBondContact O-N 2.8Å; P193-T195 VanDerWaalsContact O-N 3.08Å; P193-Y196 HydrophobicContact CB-CD2 4.36Å; P193-Y196 PolarHBondContact O-N 3Å
194N91.3Very high94.4Very high120 Ų12069.5 Ų69.564%0.64235%0.349SS*.THydrogen-bonded Turntrans-68.1-6.4179.9-70-37000114.3N237N194-N237 PolarHBondContact O-ND2 3.37Å
195T93.6Very high94.3Very high91 Ų9168.3 Ų68.356%0.55835%0.346SS*.THydrogen-bonded Turntrans-73.9-7.4165.7490000113.3P193 N237P193-T195 PolarHBondContact O-N 2.8Å; P193-T195 VanDerWaalsContact O-N 3.08Å; T195-N237 WeakPolarHBondContact O-CA 3.29Å; T195-N237 WeakPolarHBondContact O-CB 3.5Å; T195-N237 PolarHBondContact O-N 3.04Å
196Y94.1Very high94.2Very high99 Ų9967 Ų6739%0.38835%0.346SS..EExtended strand (participates in β ladder)trans-119146.6174-63.6-94.2000111.6R187 P193 V234 R235 P236R187-Y196 PolarHBondContact NH1-O 3.47Å; R187-Y196 PolarHBondContact NH2-O 3.26Å; P193-Y196 HydrophobicContact CB-CD2 4.36Å; P193-Y196 PolarHBondContact O-N 3Å; Y196-V234 HydrophobicContact CD1-CG1 3.84Å; Y196-V234 HydrophobicContact CG-CG1 3.94Å; Y196-R235 CarbonylContact C-O 3.48Å; Y196-R235 WeakPolarHBondContact CA-O 3.39Å; Y196-P236 HydrophobicContact CD1-CG 4.45Å; Y196-P236 HydrophobicContact CE1-CG 4.19Å
197Q93.3Very high94.2Very high88 Ų8867.3 Ų67.341%0.41135%0.347SS..EExtended strand (participates in β ladder)trans-93.2146.9166.3-57.2-167.218.100109.7V234 R235 N237Q197-V234 WeakPolarHBondContact O-CA 3.34Å; Q197-R235 PolarHBondContact N-O 3Å; Q197-R235 PolarHBondContact O-N 3.08Å; Q197-N237 HydrophobicContact CG-CB 3.88Å; Q197-N237 PolarHBondContact NE2-OD1 2.97Å
198V95.6Very high94.2Very high3 Ų369 Ų692%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-116.9123.6177.11800000107.6R183 L186 I192 Y232 V234R183-V198 WeakPolarHBondContact CD-O 3.26Å; R183-V198 HydrophobicContact CG-CB 3.72Å; R183-V198 HydrophobicContact CG-CG1 3.98Å; R183-V198 WeakPolarHBondContact CG-O 3.29Å; R183-V198 PolarHBondContact NE-O 2.64Å; L186-V198 HydrophobicContact CB-CG1 4.12Å; L186-V198 HydrophobicContact CD1-CG1 4.08Å; I192-V198 HydrophobicContact CB-CG2 4.24Å; I192-V198 HydrophobicContact CD1-CG2 3.66Å; I192-V198 HydrophobicContact CG2-CG2 3.81Å; V198-Y232 HydrophobicContact CG1-CD2 4.31Å; V198-V234 HydrophobicContact CG2-CG2 4.45Å
199E95.8Very high94.1Very high21 Ų2167.7 Ų67.710%0.09834%0.341CS..EExtended strand (participates in β ladder)trans-114.2124.1-179.7-78.2160.8-139.200109.2Y232 R233 R235E199-Y232 CarbonylContact O-C 3.53Å; E199-Y232 WeakPolarHBondContact O-CA 3.39Å; E199-Y232 WeakPolarHBondContact O-CB 3.4Å; E199-R233 HydrophobicContact CB-CG 3.94Å; E199-R233 PolarHBondContact N-O 2.92Å; E199-R233 PolarHBondContact O-N 2.98Å; E199-R233 IonicContact OE2-CZ 3.15Å; E199-R233 VanDerWaalsContact OE2-CZ 3.23Å; E199-R233 IonicContact OE2-NE 2.71Å; E199-R233 PolarHBondContact OE2-NE 3.1Å; E199-R233 IonicContact OE2-NH2 3.49Å; E199-R233 PolarHBondContact OE2-NH2 3.27Å; E199-R235 VanDerWaalsContact CD-NH2 3.31Å; E199-R235 IonicContact OE1-CZ 2.67Å; E199-R235 IonicContact OE1-NE 2.72Å; E199-R235 PolarHBondContact OE1-NE 3.41Å; E199-R235 IonicContact OE1-NH2 3.56Å; E199-R235 PolarHBondContact OE1-NH2 3.06Å; E199-R235 IonicContact OE2-CZ 3.62Å; E199-R235 IonicContact OE2-NE 3.45Å; E199-R235 PolarHBondContact OE2-NE 3.38Å; E199-R235 IonicContact OE2-NH2 3.35Å; E199-R235 PolarHBondContact OE2-NH2 2.77Å
200V97.2Very high94.1Very high1 Ų166.6 Ų66.61%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-92.3137.7169.4-171.20000107.5I137 V179 L182 R183 L186 L207 L230 K231I137-V200 HydrophobicContact CD1-CG1 4.37Å; V179-V200 HydrophobicContact CG1-CB 4.12Å; V179-V200 HydrophobicContact CG1-CG2 4.36Å; L182-V200 HydrophobicContact CB-CG2 4.16Å; L182-V200 HydrophobicContact CD1-CG1 4.18Å; R183-V200 HydrophobicContact CB-CG2 4.47Å; L186-V200 HydrophobicContact CD1-CG2 3.93Å; V200-L207 HydrophobicContact CG1-CD1 4.37Å; V200-L207 PolarHBondContact O-N 2.94Å; V200-L230 HydrophobicContact CG1-CB 4.37Å; V200-L230 HydrophobicContact CG1-CD1 4.27Å; V200-K231 WeakPolarHBondContact CA-O 3.32Å
201M96.6Very high94.3Very high0 Ų064.8 Ų64.80%032%0.323CS..EExtended strand (participates in β ladder)trans-133.2147-170.4-51.7-174.2-61.200110.2F140 E205 L230 K231 R233F140-M201 HydrophobicContact CB-CE 3.47Å; F140-M201 VanDerWaalsContact CB-CE 3.47Å; F140-M201 HydrophobicContact CD1-CE 4.1Å; F140-M201 HydrophobicContact CD2-CE 3.68Å; F140-M201 HydrophobicContact CE2-CE 4.44Å; F140-M201 HydrophobicContact CG-CE 3.49Å; F140-M201 VanDerWaalsContact CG-CE 3.49Å; M201-E205 CarbonylContact C-O 3.55Å; M201-E205 WeakPolarHBondContact CA-O 3.32Å; M201-E205 VanDerWaalsContact CB-O 3.31Å; M201-E205 WeakPolarHBondContact CB-O 3.22Å; M201-L230 WeakPolarHBondContact O-CA 3.48Å; M201-K231 HydrophobicContact CB-CB 4.46Å; M201-K231 HydrophobicContact CE-CB 4.14Å; M201-K231 PolarHBondContact N-O 3.32Å; M201-K231 PolarHBondContact O-N 2.79Å; M201-R233 HydrophobicContact CE-CB 4.09Å; M201-R233 HydrophobicContact CE-CG 3.96Å; M201-R233 HydrophobicContact SD-CG 3.88Å; M201-R233 PolarHBondContact SD-NH1 2.83Å
202Y95.6Very high94.4Very high22 Ų2259.3 Ų59.39%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-104.9131.2161.6-175.6-86.1000106.9D204 E205 I216 Y220 L228 P229 L230Y202-D204 PolarHBondContact O-N 3.09Å; Y202-E205 PolarHBondContact N-O 2.84Å; Y202-E205 VanDerWaalsContact N-O 3.1Å; Y202-E205 PolarHBondContact O-N 2.79Å; Y202-I216 HydrophobicContact CD2-CG2 4.07Å; Y202-Y220 AromaticContact CD1-CD1 3.33Å; Y202-Y220 HydrophobicContact CD1-CD1 3.33Å; Y202-Y220 AromaticContact CD1-CD2 3.92Å; Y202-Y220 HydrophobicContact CD1-CD2 3.92Å; Y202-Y220 AromaticContact CD1-CE1 3.69Å; Y202-Y220 HydrophobicContact CD1-CE1 3.69Å; Y202-Y220 HydrophobicContact CD1-CE2 4.24Å; Y202-Y220 AromaticContact CD1-CG 3.46Å; Y202-Y220 HydrophobicContact CD1-CG 3.46Å; Y202-Y220 VanDerWaalsContact CD1-CG 3.46Å; Y202-Y220 HydrophobicContact CD2-CD2 4.29Å; Y202-Y220 HydrophobicContact CD2-CG 4.33Å; Y202-Y220 AromaticContact CE1-CD1 3.55Å; Y202-Y220 HydrophobicContact CE1-CD1 3.55Å; Y202-Y220 HydrophobicContact CE1-CD2 4.43Å; Y202-Y220 HydrophobicContact CE1-CE1 4.34Å; Y202-Y220 AromaticContact CE1-CG 3.61Å; Y202-Y220 HydrophobicContact CE1-CG 3.61Å; Y202-Y220 HydrophobicContact CE2-CG 4.45Å; Y202-Y220 HydrophobicContact CG-CD1 4.12Å; Y202-Y220 AromaticContact CG-CD2 3.85Å; Y202-Y220 HydrophobicContact CG-CD2 3.85Å; Y202-Y220 HydrophobicContact CG-CE1 4.36Å; Y202-Y220 HydrophobicContact CG-CE2 4.12Å; Y202-Y220 AromaticContact CG-CG 3.86Å; Y202-Y220 HydrophobicContact CG-CG 3.86Å; Y202-L228 HydrophobicContact CD2-CD1 4.48Å; Y202-L228 HydrophobicContact CE2-CD1 4.06Å; Y202-P229 WeakPolarHBondContact CD2-O 3.19Å; Y202-P229 HydrophobicContact CE2-CG 4.01Å; Y202-L230 HydrophobicContact CD2-CD2 4.22Å
203E89.7Confident94.5Very high120 Ų12058.5 Ų58.556%0.56129%0.291SS*.THydrogen-bonded Turntrans48.9-104.6-166-70.5165.2-164.100110.8K231E203-K231 WeakPolarHBondContact O-CD 3.42Å; E203-K231 WeakPolarHBondContact O-CE 3.37Å; E203-K231 PolarHBondContact O-NZ 3.4Å
204D88.7Confident94.5Very high76 Ų7657.5 Ų57.541%0.40628%0.281SS..THydrogen-bonded Turntrans-119.14.4176.2-58.3-32.8000113.5F140 Y202 K231F140-D204 WeakPolarHBondContact CE2-OD1 3.32Å; Y202-D204 PolarHBondContact O-N 3.09Å; D204-K231 IonicContact OD1-NZ 2.71Å; D204-K231 PolarHBondContact OD1-NZ 3.19Å
205E93.4Very high94.6Very high111 Ų11154.6 Ų54.652%0.51927%0.265SS..EExtended strand (participates in β ladder)trans-90.9129.6-178.4-67.5-157.5129.400113.6M201 Y202 L207 Y220M201-E205 CarbonylContact C-O 3.55Å; M201-E205 WeakPolarHBondContact CA-O 3.32Å; M201-E205 VanDerWaalsContact CB-O 3.31Å; M201-E205 WeakPolarHBondContact CB-O 3.22Å; Y202-E205 PolarHBondContact N-O 2.84Å; Y202-E205 VanDerWaalsContact N-O 3.1Å; Y202-E205 PolarHBondContact O-N 2.79Å; E205-L207 PolarHBondContact O-N 2.81Å; E205-Y220 WeakPolarHBondContact OE2-CE1 3.28Å; E205-Y220 PolarHBondContact OE2-OH 2.95Å
206P95.4Very high94.6Very high56 Ų5650.3 Ų50.336%0.36424%0.239SC..EExtended strand (participates in β ladder)trans-77.6114.1177.130.4-33.6000113.2K208P206-K208 PolarHBondContact O-NZ 2.93Å
207L96.8Very high94.6Very high11 Ų1145.7 Ų45.76%0.05822%0.221CC..  trans-71.6156-176.8-59.9172.7000112.6V179 V200 E205 Y211 I216 Y220 L230V179-L207 HydrophobicContact CG1-CB 4.3Å; V179-L207 HydrophobicContact CG2-CB 3.85Å; V179-L207 HydrophobicContact CG2-CD1 4.25Å; V200-L207 HydrophobicContact CG1-CD1 4.37Å; V200-L207 PolarHBondContact O-N 2.94Å; E205-L207 PolarHBondContact O-N 2.81Å; L207-Y211 HydrophobicContact CB-CD2 4.5Å; L207-Y211 HydrophobicContact CD2-CD2 4.35Å; L207-I216 HydrophobicContact CD1-CD1 3.75Å; L207-I216 HydrophobicContact CD1-CG1 4.08Å; L207-I216 HydrophobicContact CD1-CG2 4.47Å; L207-I216 HydrophobicContact CD2-CG1 4.45Å; L207-Y220 HydrophobicContact CD2-CE2 3.68Å; L207-L230 HydrophobicContact CD1-CD2 3.95Å
208K95.2Very high94.5Very high95 Ų9544.7 Ų44.741%0.41321%0.214SC..  trans-89.4139-178.7-50.4-50.8174.2-142.20111.4V179 P206 Y210 Y211V179-K208 VanDerWaalsContact CB-O 3.31Å; V179-K208 WeakPolarHBondContact CB-O 3.21Å; V179-K208 WeakPolarHBondContact CG2-O 3.42Å; P206-K208 PolarHBondContact O-NZ 2.93Å; K208-Y210 HydrophobicContact CB-CD1 4.02Å; K208-Y210 HydrophobicContact CB-CE1 3.63Å; K208-Y210 HydrophobicContact CB-CE2 4.36Å; K208-Y210 HydrophobicContact CG-CE1 4.22Å; K208-Y210 PolarHBondContact O-N 3.47Å; K208-Y211 HydrophobicContact CB-CD1 4.03Å; K208-Y211 HydrophobicContact CB-CD2 4.18Å; K208-Y211 HydrophobicContact CB-CE1 4Å; K208-Y211 HydrophobicContact CB-CE2 4.17Å; K208-Y211 HydrophobicContact CB-CG 4.12Å; K208-Y211 HydrophobicContact CG-CD2 4.44Å; K208-Y211 HydrophobicContact CG-CE1 4.02Å; K208-Y211 HydrophobicContact CG-CE2 3.93Å; K208-Y211 WeakPolarHBondContact O-CB 3.38Å; K208-Y211 PolarHBondContact O-N 2.79Å
209D95.4Very high94.4Very high73 Ų7348.6 Ų48.639%0.3923%0.234SC..THydrogen-bonded Turntrans-41.3-40178.8-74.147.4000115.8M180 R183M180-D209 HydrophobicContact CB-CB 4.36Å; M180-D209 WeakPolarHBondContact CB-O 3.48Å; M180-D209 PolarHBondContact N-O 3Å; R183-D209 IonicContact CZ-OD1 3.53Å; R183-D209 IonicContact CZ-OD2 2.72Å; R183-D209 IonicContact NH1-OD1 3.81Å; R183-D209 PolarHBondContact NH1-OD1 3.45Å; R183-D209 IonicContact NH1-OD2 3.42Å; R183-D209 PolarHBondContact NH1-OD2 2.87Å; R183-D209 IonicContact NH2-OD1 2.65Å; R183-D209 PolarHBondContact NH2-OD1 3.48Å; R183-D209 IonicContact NH2-OD2 2.74Å
210Y93.7Very high94.2Very high103 Ų10350.2 Ų50.240%0.40424%0.24SC..THydrogen-bonded Turntrans-90.9-7.2-172.858.2-95.6000113.9H4 K208 T212H4-Y210 WeakPolarHBondContact O-CE2 3.46Å; K208-Y210 HydrophobicContact CB-CD1 4.02Å; K208-Y210 HydrophobicContact CB-CE1 3.63Å; K208-Y210 HydrophobicContact CB-CE2 4.36Å; K208-Y210 HydrophobicContact CG-CE1 4.22Å; K208-Y210 PolarHBondContact O-N 3.47Å; Y210-T212 PolarHBondContact O-N 3.02Å
211Y96.1Very high93.9Very high38 Ų3855 Ų5515%0.14927%0.269CS..  trans-67.8131.8170.8-66.5-9.5000109.5T178 V179 L207 K208 I219T178-Y211 CarbonylContact C-O 3.59Å; T178-Y211 VanDerWaalsContact CA-O 3.25Å; T178-Y211 WeakPolarHBondContact CA-O 3.38Å; V179-Y211 PolarHBondContact N-O 3.33Å; L207-Y211 HydrophobicContact CB-CD2 4.5Å; L207-Y211 HydrophobicContact CD2-CD2 4.35Å; K208-Y211 HydrophobicContact CB-CD1 4.03Å; K208-Y211 HydrophobicContact CB-CD2 4.18Å; K208-Y211 HydrophobicContact CB-CE1 4Å; K208-Y211 HydrophobicContact CB-CE2 4.17Å; K208-Y211 HydrophobicContact CB-CG 4.12Å; K208-Y211 HydrophobicContact CG-CD2 4.44Å; K208-Y211 HydrophobicContact CG-CE1 4.02Å; K208-Y211 HydrophobicContact CG-CE2 3.93Å; K208-Y211 WeakPolarHBondContact O-CB 3.38Å; K208-Y211 PolarHBondContact O-N 2.79Å; Y211-I219 HydrophobicContact CD2-CD1 4.23Å; Y211-I219 HydrophobicContact CE1-CD1 4.34Å; Y211-I219 HydrophobicContact CE2-CD1 3.94Å
212T96.3Very high93.7Very high29 Ų2956.6 Ų56.618%0.17828%0.275CS..BIsolated β-bridgetrans-81.7166.5167.563.90000111.2A175 M177 T178 Y210 M214 D215 I216A175-T212 WeakPolarHBondContact O-CB 3.33Å; M177-T212 CarbonylContact O-C 3.52Å; M177-T212 VanDerWaalsContact O-CA 3.23Å; M177-T212 WeakPolarHBondContact O-CA 3.25Å; T178-T212 HydrophobicContact CG2-CG2 4.15Å; Y210-T212 PolarHBondContact O-N 3.02Å; T212-M214 PolarHBondContact O-N 3.42Å; T212-D215 WeakPolarHBondContact CB-OD2 3.5Å; T212-D215 PolarHBondContact N-OD2 3.12Å; T212-D215 PolarHBondContact O-N 3.47Å; T212-D215 PolarHBondContact OG1-N 3.23Å; T212-D215 PolarHBondContact OG1-OD2 2.99Å; T212-I216 WeakPolarHBondContact O-CG1 3.44Å; T212-I216 PolarHBondContact O-N 3.38Å
213L96.4Very high93.3Very high0 Ų063.6 Ų63.60%030%0.301CS..Hα-helixtrans-61.2-34.2170.3-65.2175.7000111.6I133 L135 C173 A175 M177 L182 I216 A217 L228 L230I133-L213 HydrophobicContact CB-CD1 4.42Å; I133-L213 HydrophobicContact CD1-CB 3.74Å; L135-L213 HydrophobicContact CD2-CD1 3.71Å; L135-L213 HydrophobicContact CD2-CD2 3.61Å; L135-L213 HydrophobicContact CD2-CG 4.35Å; C173-L213 HydrophobicContact CB-CD1 3.41Å; C173-L213 VanDerWaalsContact CB-CD1 3.41Å; A175-L213 PolarHBondContact O-N 2.98Å; A175-L213 VanDerWaalsContact O-N 3.16Å; M177-L213 HydrophobicContact CB-CD1 4.05Å; M177-L213 HydrophobicContact CB-CG 4.38Å; M177-L213 PolarHBondContact O-N 3.19Å; L182-L213 HydrophobicContact CD1-CD2 4.05Å; L213-I216 HydrophobicContact CD2-CD1 4.28Å; L213-A217 VanDerWaalsContact O-CB 3.3Å; L213-A217 WeakPolarHBondContact O-CB 3.25Å; L213-A217 PolarHBondContact O-N 3.42Å; L213-L228 HydrophobicContact CD2-CD2 4.17Å; L213-L230 HydrophobicContact CD2-CD1 4.25Å
214M93.5Very high93.2Very high50 Ų5060.2 Ų60.225%0.24628%0.283CS..Hα-helixtrans-60.3-46.9170.4-177.9171.3160.300111.8I127 D129 A175 T212 A217 Y218I127-M214 HydrophobicContact CB-CG 4.29Å; I127-M214 HydrophobicContact CG2-CB 4.12Å; I127-M214 HydrophobicContact CG2-CG 3.82Å; I127-M214 HydrophobicContact CG2-SD 4.39Å; I127-M214 WeakPolarHBondContact O-CE 3.22Å; D129-M214 HydrophobicContact CB-SD 4.39Å; A175-M214 HydrophobicContact CB-CB 4.12Å; A175-M214 PolarHBondContact O-N 2.76Å; T212-M214 PolarHBondContact O-N 3.42Å; M214-A217 PolarHBondContact O-N 3.4Å; M214-Y218 HydrophobicContact CE-CE2 3.83Å; M214-Y218 HydrophobicContact CG-CD2 3.85Å; M214-Y218 HydrophobicContact CG-CE2 3.67Å; M214-Y218 VanDerWaalsContact O-CD2 3.24Å; M214-Y218 WeakPolarHBondContact O-CD2 3.37Å; M214-Y218 PolarHBondContact O-N 3.33Å
215D93.6Very high93.1Very high60 Ų6062.6 Ų62.632%0.32130%0.296SS..Hα-helixtrans-60.9-48.4176.8-63.2-55.8000111.4T212 A217 Y218 I219T212-D215 WeakPolarHBondContact CB-OD2 3.5Å; T212-D215 PolarHBondContact N-OD2 3.12Å; T212-D215 PolarHBondContact O-N 3.47Å; T212-D215 PolarHBondContact OG1-N 3.23Å; T212-D215 PolarHBondContact OG1-OD2 2.99Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 3.28Å; D215-Y218 PolarHBondContact O-N 3.22Å; D215-I219 HydrophobicContact CB-CD1 4.25Å; D215-I219 WeakPolarHBondContact O-CB 3.36Å; D215-I219 WeakPolarHBondContact O-CD1 3.5Å; D215-I219 WeakPolarHBondContact O-CG1 3.34Å; D215-I219 PolarHBondContact O-N 3.34Å
216I95.1Very high93Very high0 Ų059.2 Ų59.20%029%0.292CS..Hα-helixtrans-58.2-47.4179-61.9158.9000110.2V179 Y202 L207 T212 L213 Y218 I219 Y220 L228 L230V179-I216 HydrophobicContact CG2-CD1 3.82Å; Y202-I216 HydrophobicContact CD2-CG2 4.07Å; L207-I216 HydrophobicContact CD1-CD1 3.75Å; L207-I216 HydrophobicContact CD1-CG1 4.08Å; L207-I216 HydrophobicContact CD1-CG2 4.47Å; L207-I216 HydrophobicContact CD2-CG1 4.45Å; T212-I216 WeakPolarHBondContact O-CG1 3.44Å; T212-I216 PolarHBondContact O-N 3.38Å; L213-I216 HydrophobicContact CD2-CD1 4.28Å; I216-Y218 VanDerWaalsContact C-N 3.33Å; I216-Y218 PolarHBondContact O-N 3.01Å; I216-I219 PolarHBondContact O-N 3.17Å; I216-Y220 HydrophobicContact CG2-CD2 3.93Å; I216-Y220 HydrophobicContact CG2-CE2 4.42Å; I216-Y220 WeakPolarHBondContact O-CD2 3.33Å; I216-Y220 PolarHBondContact O-N 2.91Å; I216-L228 HydrophobicContact CB-CD2 4.47Å; I216-L228 HydrophobicContact CG2-CD1 4.31Å; I216-L228 HydrophobicContact CG2-CD2 4.13Å; I216-L230 HydrophobicContact CG2-CD2 4.31Å
217A93.5Very high93Very high2 Ų258.6 Ų58.62%0.01729%0.287CS..Hα-helixtrans-62.9-36.8-179.300000113I127 L213 M214 D215 T221 W222I127-A217 HydrophobicContact CD1-CB 3.35Å; L213-A217 VanDerWaalsContact O-CB 3.3Å; L213-A217 WeakPolarHBondContact O-CB 3.25Å; L213-A217 PolarHBondContact O-N 3.42Å; M214-A217 PolarHBondContact O-N 3.4Å; D215-A217 VanDerWaalsContact C-N 3.32Å; D215-A217 PolarHBondContact O-N 3.28Å; A217-T221 CarbonylContact O-C 3.5Å; A217-T221 WeakPolarHBondContact O-CA 3.21Å; A217-T221 PolarHBondContact O-N 3.23Å; A217-T221 VanDerWaalsContact O-N 3.11Å; A217-W222 HydrophobicContact CB-CB 4.36Å; A217-W222 HydrophobicContact CB-CE3 3.8Å; A217-W222 HydrophobicContact CB-CZ3 4.49Å; A217-W222 PolarHBondContact O-N 3.24Å
218Y90.9Very high92.9Very high68 Ų6858 Ų5827%0.26729%0.285SS..Hα-helixtrans-74.7-42.8173.7-78.6-60000113.2K83 I127 M214 D215 I216 T221K83-Y218 HydrophobicContact CD-CE1 4.41Å; I127-Y218 HydrophobicContact CB-CE2 4.01Å; I127-Y218 PolarHBondContact N-OH 3.26Å; I127-Y218 PolarHBondContact O-OH 3.22Å; M214-Y218 HydrophobicContact CE-CE2 3.83Å; M214-Y218 HydrophobicContact CG-CD2 3.85Å; M214-Y218 HydrophobicContact CG-CE2 3.67Å; M214-Y218 VanDerWaalsContact O-CD2 3.24Å; M214-Y218 WeakPolarHBondContact O-CD2 3.37Å; M214-Y218 PolarHBondContact O-N 3.33Å; D215-Y218 PolarHBondContact O-N 3.22Å; I216-Y218 VanDerWaalsContact C-N 3.33Å; I216-Y218 PolarHBondContact O-N 3.01Å; Y218-T221 PolarHBondContact O-N 3.03Å
219I92.5Very high92.9Very high85 Ų8555.9 Ų55.944%0.43628%0.28SS..Hα-helixtrans-60.8-47.7-179-70.8164.6000110.8Y211 D215 I216Y211-I219 HydrophobicContact CD2-CD1 4.23Å; Y211-I219 HydrophobicContact CE1-CD1 4.34Å; Y211-I219 HydrophobicContact CE2-CD1 3.94Å; D215-I219 HydrophobicContact CB-CD1 4.25Å; D215-I219 WeakPolarHBondContact O-CB 3.36Å; D215-I219 WeakPolarHBondContact O-CD1 3.5Å; D215-I219 WeakPolarHBondContact O-CG1 3.34Å; D215-I219 PolarHBondContact O-N 3.34Å; I216-I219 PolarHBondContact O-N 3.17Å
220Y92.9Very high93Very high54 Ų5452.4 Ų52.421%0.21226%0.261CS..THydrogen-bonded Turntrans-94.39.9-179.6-60.4-82.6000113Y202 E205 L207 I216 W222Y202-Y220 AromaticContact CD1-CD1 3.33Å; Y202-Y220 HydrophobicContact CD1-CD1 3.33Å; Y202-Y220 AromaticContact CD1-CD2 3.92Å; Y202-Y220 HydrophobicContact CD1-CD2 3.92Å; Y202-Y220 AromaticContact CD1-CE1 3.69Å; Y202-Y220 HydrophobicContact CD1-CE1 3.69Å; Y202-Y220 HydrophobicContact CD1-CE2 4.24Å; Y202-Y220 AromaticContact CD1-CG 3.46Å; Y202-Y220 HydrophobicContact CD1-CG 3.46Å; Y202-Y220 VanDerWaalsContact CD1-CG 3.46Å; Y202-Y220 HydrophobicContact CD2-CD2 4.29Å; Y202-Y220 HydrophobicContact CD2-CG 4.33Å; Y202-Y220 AromaticContact CE1-CD1 3.55Å; Y202-Y220 HydrophobicContact CE1-CD1 3.55Å; Y202-Y220 HydrophobicContact CE1-CD2 4.43Å; Y202-Y220 HydrophobicContact CE1-CE1 4.34Å; Y202-Y220 AromaticContact CE1-CG 3.61Å; Y202-Y220 HydrophobicContact CE1-CG 3.61Å; Y202-Y220 HydrophobicContact CE2-CG 4.45Å; Y202-Y220 HydrophobicContact CG-CD1 4.12Å; Y202-Y220 AromaticContact CG-CD2 3.85Å; Y202-Y220 HydrophobicContact CG-CD2 3.85Å; Y202-Y220 HydrophobicContact CG-CE1 4.36Å; Y202-Y220 HydrophobicContact CG-CE2 4.12Å; Y202-Y220 AromaticContact CG-CG 3.86Å; Y202-Y220 HydrophobicContact CG-CG 3.86Å; E205-Y220 WeakPolarHBondContact OE2-CE1 3.28Å; E205-Y220 PolarHBondContact OE2-OH 2.95Å; L207-Y220 HydrophobicContact CD2-CE2 3.68Å; I216-Y220 HydrophobicContact CG2-CD2 3.93Å; I216-Y220 HydrophobicContact CG2-CE2 4.42Å; I216-Y220 WeakPolarHBondContact O-CD2 3.33Å; I216-Y220 PolarHBondContact O-N 2.91Å; Y220-W222 VanDerWaalsContact C-N 3.28Å; Y220-W222 PolarHBondContact O-N 2.98Å
221T91.3Very high93.1Very high102 Ų10249.7 Ų49.763%0.62625%0.252SS*.THydrogen-bonded Turntrans57.329.6173.570.10000116.1A217 Y218 R223A217-T221 CarbonylContact O-C 3.5Å; A217-T221 WeakPolarHBondContact O-CA 3.21Å; A217-T221 PolarHBondContact O-N 3.23Å; A217-T221 VanDerWaalsContact O-N 3.11Å; Y218-T221 PolarHBondContact O-N 3.03Å; T221-R223 VanDerWaalsContact O-CG 3.3Å; T221-R223 WeakPolarHBondContact O-CG 3.42Å; T221-R223 PolarHBondContact O-N 2.8Å
222W91.6Very high93.1Very high33 Ų3348.6 Ų48.613%0.12525%0.247CC..  trans-60.6129-177.6172.579.4000112.3I133 A217 Y220 R224 G226 L228I133-W222 HydrophobicContact CG1-CZ3 4.43Å; I133-W222 HydrophobicContact CG2-CH2 3.95Å; I133-W222 HydrophobicContact CG2-CZ3 4.16Å; A217-W222 HydrophobicContact CB-CB 4.36Å; A217-W222 HydrophobicContact CB-CE3 3.8Å; A217-W222 HydrophobicContact CB-CZ3 4.49Å; A217-W222 PolarHBondContact O-N 3.24Å; Y220-W222 VanDerWaalsContact C-N 3.28Å; Y220-W222 PolarHBondContact O-N 2.98Å; W222-R224 HydrophobicContact CE3-CG 4.15Å; W222-R224 HydrophobicContact CH2-CB 4.23Å; W222-R224 HydrophobicContact CH2-CG 3.53Å; W222-R224 HydrophobicContact CZ2-CB 4.35Å; W222-R224 HydrophobicContact CZ2-CG 4.14Å; W222-R224 HydrophobicContact CZ3-CB 4.49Å; W222-R224 HydrophobicContact CZ3-CG 3.52Å; W222-G226 VanDerWaalsContact CZ2-O 3.25Å; W222-G226 WeakPolarHBondContact CZ2-O 3.37Å; W222-G226 PolarHBondContact NE1-O 2.62Å; W222-L228 HydrophobicContact CB-CD1 3.79Å; W222-L228 HydrophobicContact CD2-CB 4.23Å; W222-L228 HydrophobicContact CD2-CD1 3.92Å; W222-L228 HydrophobicContact CG-CD1 3.61Å; W222-L228 HydrophobicContact CZ2-CB 4.03Å
223R87.4Confident93Very high169 Ų16949.8 Ų49.864%0.63825%0.249SC*.  trans-104.620.7-169.2-57-166.1-180-170.82.1115.3T221 N225T221-R223 VanDerWaalsContact O-CG 3.3Å; T221-R223 WeakPolarHBondContact O-CG 3.42Å; T221-R223 PolarHBondContact O-N 2.8Å; R223-N225 PolarHBondContact O-N 3.07Å; R223-N225 VanDerWaalsContact O-N 3.1Å; R223-N225 PolarHBondContact O-OD1 3.07Å; R223-N225 VanDerWaalsContact O-OD1 3.11Å
224R87.8Confident92.9Very high49 Ų4951.9 Ų51.919%0.18526%0.262CS..SBendtrans59.710.6-171.2-65.5173.8-178.685.4-25.6115.2D121 K124 I126 E131 W222 G226D121-R224 WeakPolarHBondContact O-CD 3.08Å; K124-R224 PolarHBondContact O-NH1 3.27Å; I126-R224 PolarHBondContact O-NH2 3.38Å; E131-R224 IonicContact OE2-CZ 3.11Å; E131-R224 IonicContact OE2-NH2 3.23Å; E131-R224 PolarHBondContact OE2-NH2 3.23Å; W222-R224 HydrophobicContact CE3-CG 4.15Å; W222-R224 HydrophobicContact CH2-CB 4.23Å; W222-R224 HydrophobicContact CH2-CG 3.53Å; W222-R224 HydrophobicContact CZ2-CB 4.35Å; W222-R224 HydrophobicContact CZ2-CG 4.14Å; W222-R224 HydrophobicContact CZ3-CB 4.49Å; W222-R224 HydrophobicContact CZ3-CG 3.52Å; R224-G226 CarbonylContact C-O 3.53Å; R224-G226 PolarHBondContact O-N 3.38Å
225N87.3Confident92.8Very high126 Ų12655.5 Ų55.567%0.67427%0.272SS*.SBendtrans-6773.2171.8-66.624.8000111.1R223R223-N225 PolarHBondContact O-N 3.07Å; R223-N225 VanDerWaalsContact O-N 3.1Å; R223-N225 PolarHBondContact O-OD1 3.07Å; R223-N225 VanDerWaalsContact O-OD1 3.11Å
226G90.5Very high92.8Very high41 Ų4156.9 Ų56.942%0.42329%0.285SS..SBendtrans78.9170.8-165.800000113W222 R224W222-G226 VanDerWaalsContact CZ2-O 3.25Å; W222-G226 WeakPolarHBondContact CZ2-O 3.37Å; W222-G226 PolarHBondContact NE1-O 2.62Å; R224-G226 CarbonylContact C-O 3.53Å; R224-G226 PolarHBondContact O-N 3.38Å
227P94.6Very high92.2Very high42 Ų4259.2 Ų59.227%0.27330%0.297SS..SBendtrans-66.6144.7-173.626.8-33.8000112.5S134 Y170 P229S134-P227 CarbonylContact O-C 3.55Å; S134-P227 VanDerWaalsContact O-CA 3.28Å; S134-P227 WeakPolarHBondContact O-CA 3.19Å; Y170-P227 HydrophobicContact CD1-CB 4.34Å; Y170-P227 HydrophobicContact CD1-CG 3.8Å; Y170-P227 HydrophobicContact CE1-CG 3.67Å; P227-P229 WeakPolarHBondContact O-CD 3.35Å; P227-P229 VanDerWaalsContact O-N 3.15Å
228L95.6Very high90.7Very high0 Ų064.5 Ų64.50%033%0.333CS..EExtended strand (participates in β ladder)trans-53.3116.8178.5-178.471000110.5I133 S134 L135 S136 Y202 L213 I216 W222 L230I133-L228 HydrophobicContact CG2-CB 4.26Å; I133-L228 HydrophobicContact CG2-CD2 4.38Å; S134-L228 PolarHBondContact O-N 3.05Å; L135-L228 WeakPolarHBondContact CA-O 3.36Å; L135-L228 HydrophobicContact CB-CB 3.95Å; S136-L228 PolarHBondContact N-O 2.99Å; Y202-L228 HydrophobicContact CD2-CD1 4.48Å; Y202-L228 HydrophobicContact CE2-CD1 4.06Å; L213-L228 HydrophobicContact CD2-CD2 4.17Å; I216-L228 HydrophobicContact CB-CD2 4.47Å; I216-L228 HydrophobicContact CG2-CD1 4.31Å; I216-L228 HydrophobicContact CG2-CD2 4.13Å; W222-L228 HydrophobicContact CB-CD1 3.79Å; W222-L228 HydrophobicContact CD2-CB 4.23Å; W222-L228 HydrophobicContact CD2-CD1 3.92Å; W222-L228 HydrophobicContact CG-CD1 3.61Å; W222-L228 HydrophobicContact CZ2-CB 4.03Å; L228-L230 HydrophobicContact CD2-CD2 4.43Å; L228-L230 HydrophobicContact CG-CD2 4.45Å; L228-L230 PolarHBondContact O-N 3.22Å
229P95.9Very high89.4Confident49 Ų4968.6 Ų68.632%0.31835%0.352SS..EExtended strand (participates in β ladder)trans-82.9114.1-175.431-33.1000111.2Y202 P227Y202-P229 WeakPolarHBondContact CD2-O 3.19Å; Y202-P229 HydrophobicContact CE2-CG 4.01Å; P227-P229 WeakPolarHBondContact O-CD 3.35Å; P227-P229 VanDerWaalsContact O-N 3.15Å
230L97.1Very high87.4Confident0 Ų074.2 Ų74.20%037%0.373CS..EExtended strand (participates in β ladder)trans-116.5147.3172.2-58.7179000109.9L135 S136 I137 E138 L182 V200 M201 Y202 L207 L213 I216 L228L135-L230 HydrophobicContact CD1-CD1 4.36Å; L135-L230 HydrophobicContact CD2-CD1 4.26Å; S136-L230 PolarHBondContact O-N 3.05Å; I137-L230 VanDerWaalsContact CA-O 3.32Å; I137-L230 WeakPolarHBondContact CA-O 3.44Å; I137-L230 HydrophobicContact CD1-CB 4.32Å; I137-L230 HydrophobicContact CG1-CB 4.23Å; E138-L230 PolarHBondContact N-O 3.33Å; L182-L230 HydrophobicContact CD1-CD1 3.49Å; L182-L230 VanDerWaalsContact CD1-CD1 3.49Å; V200-L230 HydrophobicContact CG1-CB 4.37Å; V200-L230 HydrophobicContact CG1-CD1 4.27Å; M201-L230 WeakPolarHBondContact O-CA 3.48Å; Y202-L230 HydrophobicContact CD2-CD2 4.22Å; L207-L230 HydrophobicContact CD1-CD2 3.95Å; L213-L230 HydrophobicContact CD2-CD1 4.25Å; I216-L230 HydrophobicContact CG2-CD2 4.31Å; L228-L230 HydrophobicContact CD2-CD2 4.43Å; L228-L230 HydrophobicContact CG-CD2 4.45Å; L228-L230 PolarHBondContact O-N 3.22Å
231K96.2Very high85.2Confident46 Ų4680 Ų8020%0.240%0.404CS..EExtended strand (participates in β ladder)trans-113.8162.6168.3-51-173.8-162.81580109.7E138 F140 V200 M201 E203 D204E138-K231 HydrophobicContact CG-CB 4.39Å; E138-K231 HydrophobicContact CG-CG 3.95Å; E138-K231 CarbonylContact O-C 3.56Å; E138-K231 VanDerWaalsContact O-CA 3.31Å; E138-K231 WeakPolarHBondContact O-CA 3.46Å; F140-K231 HydrophobicContact CB-CB 4.31Å; F140-K231 HydrophobicContact CD2-CD 3.81Å; V200-K231 WeakPolarHBondContact CA-O 3.32Å; M201-K231 HydrophobicContact CB-CB 4.46Å; M201-K231 HydrophobicContact CE-CB 4.14Å; M201-K231 PolarHBondContact N-O 3.32Å; M201-K231 PolarHBondContact O-N 2.79Å; E203-K231 WeakPolarHBondContact O-CD 3.42Å; E203-K231 WeakPolarHBondContact O-CE 3.37Å; E203-K231 PolarHBondContact O-NZ 3.4Å; D204-K231 IonicContact OD1-NZ 2.71Å; D204-K231 PolarHBondContact OD1-NZ 3.19Å
232Y95.9Very high83.1Confident15 Ų1584.7 Ų84.76%0.05942%0.416CS..EExtended strand (participates in β ladder)trans-137.7145.3165.978.4-75.6000112.6I137 E138 F139 F140 L186 V198 E199 V234I137-Y232 HydrophobicContact CG1-CD1 4.1Å; E138-Y232 WeakPolarHBondContact O-CD1 3.33Å; E138-Y232 PolarHBondContact O-N 3.16Å; F139-Y232 HydrophobicContact CB-CE1 3.89Å; F139-Y232 HydrophobicContact CD2-CD2 4.31Å; F139-Y232 HydrophobicContact CD2-CE1 4.32Å; F139-Y232 AromaticContact CD2-CE2 3.79Å; F139-Y232 HydrophobicContact CD2-CE2 3.79Å; F139-Y232 AromaticContact CD2-CZ 3.78Å; F140-Y232 PolarHBondContact N-O 2.75Å; L186-Y232 HydrophobicContact CD1-CD1 4.23Å; L186-Y232 HydrophobicContact CD1-CD2 3.91Å; L186-Y232 HydrophobicContact CD1-CG 3.63Å; L186-Y232 HydrophobicContact CD2-CD1 3.86Å; L186-Y232 HydrophobicContact CD2-CD2 4.07Å; L186-Y232 HydrophobicContact CD2-CE1 3.93Å; L186-Y232 HydrophobicContact CD2-CE2 4.12Å; L186-Y232 HydrophobicContact CD2-CG 3.95Å; L186-Y232 HydrophobicContact CG-CD2 4.46Å; L186-Y232 HydrophobicContact CG-CG 4.4Å; V198-Y232 HydrophobicContact CG1-CD2 4.31Å; E199-Y232 CarbonylContact O-C 3.53Å; E199-Y232 WeakPolarHBondContact O-CA 3.39Å; E199-Y232 WeakPolarHBondContact O-CB 3.4Å; Y232-V234 HydrophobicContact CD2-CG2 4.4Å; Y232-V234 HydrophobicContact CE2-CG2 4.3Å
233R94.4Very high80.7Confident54 Ų5488.8 Ų88.820%0.20445%0.445CS..EExtended strand (participates in β ladder)trans-125.1157.2171.667.5-180176.5-140.7-7.8111.6F140 E199 M201 R235F140-R233 HydrophobicContact CB-CB 4.18Å; F140-R233 HydrophobicContact CD1-CB 4.36Å; E199-R233 HydrophobicContact CB-CG 3.94Å; E199-R233 PolarHBondContact N-O 2.92Å; E199-R233 PolarHBondContact O-N 2.98Å; E199-R233 IonicContact OE2-CZ 3.15Å; E199-R233 VanDerWaalsContact OE2-CZ 3.23Å; E199-R233 IonicContact OE2-NE 2.71Å; E199-R233 PolarHBondContact OE2-NE 3.1Å; E199-R233 IonicContact OE2-NH2 3.49Å; E199-R233 PolarHBondContact OE2-NH2 3.27Å; M201-R233 HydrophobicContact CE-CB 4.09Å; M201-R233 HydrophobicContact CE-CG 3.96Å; M201-R233 HydrophobicContact SD-CG 3.88Å; M201-R233 PolarHBondContact SD-NH1 2.83Å; R233-R235 HydrophobicContact CG-CG 4.39Å
234V93.8Very high78.2Confident45 Ų4585.8 Ų85.827%0.27345%0.449SS..EExtended strand (participates in β ladder)trans-118123.5177.9-176.10000108.1F139 I192 Y196 Q197 V198 Y232F139-V234 HydrophobicContact CE2-CG2 4.21Å; I192-V234 HydrophobicContact CD1-CG2 3.71Å; I192-V234 HydrophobicContact CG2-CG1 3.81Å; Y196-V234 HydrophobicContact CD1-CG1 3.84Å; Y196-V234 HydrophobicContact CG-CG1 3.94Å; Q197-V234 WeakPolarHBondContact O-CA 3.34Å; V198-V234 HydrophobicContact CG2-CG2 4.45Å; Y232-V234 HydrophobicContact CD2-CG2 4.4Å; Y232-V234 HydrophobicContact CE2-CG2 4.3Å
235R91.6Very high75.9Confident125 Ų12591.4 Ų91.447%0.47248%0.477SS..EExtended strand (participates in β ladder)trans-122.8142.6-178.8-61.9-157-68.7171.2-2.9110.9Y196 Q197 E199 R233 N237Y196-R235 CarbonylContact C-O 3.48Å; Y196-R235 WeakPolarHBondContact CA-O 3.39Å; Q197-R235 PolarHBondContact N-O 3Å; Q197-R235 PolarHBondContact O-N 3.08Å; E199-R235 VanDerWaalsContact CD-NH2 3.31Å; E199-R235 IonicContact OE1-CZ 2.67Å; E199-R235 IonicContact OE1-NE 2.72Å; E199-R235 PolarHBondContact OE1-NE 3.41Å; E199-R235 IonicContact OE1-NH2 3.56Å; E199-R235 PolarHBondContact OE1-NH2 3.06Å; E199-R235 IonicContact OE2-CZ 3.62Å; E199-R235 IonicContact OE2-NE 3.45Å; E199-R235 PolarHBondContact OE2-NE 3.38Å; E199-R235 IonicContact OE2-NH2 3.35Å; E199-R235 PolarHBondContact OE2-NH2 2.77Å; R233-R235 HydrophobicContact CG-CG 4.39Å; R235-N237 PolarHBondContact O-N 2.79Å
236P92Very high73.7Confident90 Ų9091 Ų9158%0.58448%0.482SS*.EExtended strand (participates in β ladder)trans-53.9133.4171.8-25.935.1000111.2Y196 C238Y196-P236 HydrophobicContact CD1-CG 4.45Å; Y196-P236 HydrophobicContact CE1-CG 4.19Å; P236-C238 PolarHBondContact O-N 2.76Å
237N83.4Confident71Confident48 Ų4898.1 Ų98.126%0.25750%0.504SS..  trans-80.589.3178.3-170.34.1000108.8N194 T195 Q197 R235 K239N194-N237 PolarHBondContact O-ND2 3.37Å; T195-N237 WeakPolarHBondContact O-CA 3.29Å; T195-N237 WeakPolarHBondContact O-CB 3.5Å; T195-N237 PolarHBondContact O-N 3.04Å; Q197-N237 HydrophobicContact CG-CB 3.88Å; Q197-N237 PolarHBondContact NE2-OD1 2.97Å; R235-N237 PolarHBondContact O-N 2.79Å; N237-K239 PolarHBondContact O-N 2.91Å
238C62.5Low68.3Low114 Ų114104.8 Ų104.877%0.7753%0.532SS*.  trans-67.563.4179-62.80000112.7P236 K240P236-C238 PolarHBondContact O-N 2.76Å; C238-K240 PolarHBondContact O-N 3.37Å; C238-K240 VanDerWaalsContact O-N 3.13Å
239K62.3Low65.4Low153 Ų153114.2 Ų114.267%0.66558%0.575SS**  trans-57.3113.3159.8-63.5179.7-178.91800106.5N237 M241N237-K239 PolarHBondContact O-N 2.91Å; K239-M241 PolarHBondContact O-N 3.28Å
240K51.9Low62.4Low204 Ų204115.4 Ų115.489%0.88760%0.597SS**  trans-51.7119.4171.7-73.5-173.7175.2-175.10107.9C238 K242C238-K240 PolarHBondContact O-N 3.37Å; C238-K240 VanDerWaalsContact O-N 3.13Å; K240-K242 PolarHBondContact O-N 3.09Å
241M46.7Very low59.5Low175 Ų175124 Ų12486%0.86264%0.637SS**  trans-63.9109.2174-70.7-177.272.100107.8K239 V243K239-M241 PolarHBondContact O-N 3.28Å; M241-V243 VanDerWaalsContact C-N 3.32Å; M241-V243 PolarHBondContact O-N 3.34Å
242K46Very low56.3Low201 Ų201128.2 Ų128.287%0.87466%0.662SS**  trans-6999.2163.4-176.3179.4-179.7-177.70105.7K240 S244K240-K242 PolarHBondContact O-N 3.09Å; K242-S244 PolarHBondContact O-N 3.18Å
243V41.6Very low53.2Low119 Ų119134.4 Ų134.472%0.72170%0.696SS**  trans-62102.3178.8178.60000108.2M241 H245M241-V243 VanDerWaalsContact C-N 3.32Å; M241-V243 PolarHBondContact O-N 3.34Å; V243-H245 PolarHBondContact O-N 3.46Å
244S35.8Very low50.3Low105 Ų105136.1 Ų136.173%0.73472%0.722SS**  trans-72.1109.1165.948.30000107.9K242K242-S244 PolarHBondContact O-N 3.18Å
245H39.3Very low47.5Very low167 Ų167139.2 Ų139.277%0.77375%0.745SS**  trans-56.5132.8166.6-113.365.2000109.1V243 Q247V243-H245 PolarHBondContact O-N 3.46Å; H245-Q247 PolarHBondContact O-N 3.08Å
246P40.7Very low44.8Very low118 Ų118144.3 Ų144.377%0.76677%0.765SS**  trans-71.2109.2168.329.4-31.1000108.2Q248P246-Q248 PolarHBondContact O-N 2.84Å
247Q34.4Very low42.1Very low190 Ų190145.3 Ų145.389%0.88877%0.774SS**  trans-81.1104.6175.7-173167.6-10.600109.1H245H245-Q247 PolarHBondContact O-N 3.08Å
248Q36.9Very low39.6Very low183 Ų183146.5 Ų146.586%0.85580%0.797SS**  trans-76141.3176.5-167.2170.615.300110.3P246P246-Q248 PolarHBondContact O-N 2.84Å
249E35.9Very low39.3Very low197 Ų197146.9 Ų146.992%0.92180%0.798SS**  trans-70.8137.4175.4-67.1179.7103.800111.3
250G31.8Very low37.8Very low75 Ų75149 Ų14977%0.77381%0.811SS**  trans-166.1134.5177.500000110.5
251Q36.4Very low37.1Very low180 Ų180144.9 Ų144.984%0.84181%0.807SS**  trans-103.5149.7-166.4-66.5175.4-39.700113.9
252N29.8Very low36.4Very low135 Ų135143.8 Ų143.872%0.72281%0.805SS**  trans63.9116148.3-64-11.4000122.1
253N30.4Very low36.1Very low145 Ų145140 Ų14078%0.77580%0.804SS**  trans78111.4130.1-64.7-6.1000122.8
254A32.6Very low35.6Very low90 Ų90138.5 Ų138.574%0.74480%0.804SS**  trans64.4125.2132.900000118.9
255S34.9Very low36.2Very low110 Ų110138.8 Ų138.877%0.76981%0.806SS**  cis-170.8163.148.5-58.10000114.7
256R36.2Very low36.5Very low232 Ų232136.4 Ų136.488%0.87580%0.799SS**  trans81.4123.4143-138.2-178.7-166.5-153.51.9120.8
257S34.7Very low36.7Very low111 Ų111139 Ų13978%0.77680%0.798SS**  trans53.1130.1154.546.20000119.5
258G31.4Very low36.9Very low73 Ų73134.4 Ų134.475%0.75379%0.792SS**  cis93147.613.800000112.6
259P55Low36.6Very low121 Ų121129.2 Ų129.279%0.78679%0.788SS**  cis-121.3176.53.842.9-30.6000114.5
260E32.4Very low36.6Very low199 Ų199125.4 Ų125.493%0.9378%0.784SS**  trans-141.9155.4147.5-75.5-155.8109.900109.5
261S37.2Very low37.8Very low117 Ų117128.1 Ų128.182%0.81879%0.787SS**  trans-102.9164.5-155-55.20000116.4
262D31.4Very low37.8Very low152 Ų152126.7 Ų126.781%0.81379%0.79SS**  trans-56.5149.3176.2-52.7-99000115.5
263S38.3Very low38Very low122 Ų122123.4 Ų123.485%0.85379%0.789SS**  -168145.5108.9-80.10000113.8
264A32.7Very low38.3Very low87 Ų87121.2 Ų121.272%0.71979%0.791SS**  trans-26.7149.817700000118.5
265S48.6Very low38.8Very low111 Ų111123 Ų12378%0.77680%0.795SS**  59.5153.550.3-48.70000112.2
266D44.7Very low39.1Very low117 Ų117123.3 Ų123.363%0.62680%0.797SS**  cis-161.4164.17.2-138.423.7000106.1
267K46Very low39Very low172 Ų172119.3 Ų119.375%0.74880%0.798SS**  cis-160.1-163.6-6.4-140.5176.7-151.273.20104.6
268A37.2Very low39.1Very low93 Ų93119.1 Ų119.177%0.76980%0.797SS**  cis-161.3-176.6-7.600000106.9
269G30.3Very low39.3Very low74 Ų74120.3 Ų120.376%0.76379%0.794SS**  trans146.388.7157.500000117.5
270S37.2Very low38.3Very low118 Ų118120.1 Ų120.183%0.82580%0.796SS**  trans-144.5159.4162.7-630000109
271P55.4Low38.6Very low131 Ų131118.5 Ų118.585%0.85179%0.793SS**  -143.8168.9116.238.3-24.8000116.4
272V37.4Very low38.6Very low150 Ų150118.9 Ų118.991%0.90979%0.792SS**  trans-67.6160.6164.1177.30000109.7
273G33.4Very low38.9Very low67 Ų67117 Ų11769%0.69179%0.791SS**  cis177.4-163.10.200000111.4
274A36.7Very low39.3Very low99 Ų99117.7 Ų117.782%0.81879%0.792SS**  trans-80.5173.2-173.600000113.5
275P43.6Very low39.2Very low128 Ų128116.9 Ų116.983%0.83179%0.793SS**  -143.1-17753.641.1-21.1000117
276S40.3Very low38.7Very low116 Ų116118.3 Ų118.381%0.81180%0.797SS**  trans-102.8151.2179.3-44.70000113.4
277T34.4Very low38.7Very low147 Ų147118.7 Ų118.790%0.90281%0.806SS**  trans-145.1175.7162.551.10000111.1
278S37.8Very low38Very low107 Ų107115.2 Ų115.275%0.74881%0.81SS**  trans-138.6178.8-179.769.80000109.6
279S35.6Very low37.8Very low98 Ų98120.3 Ų120.369%0.68582%0.817SS**  cis-164.5170.38.84.30000108.9
280S33.7Very low38Very low118 Ų118122.4 Ų122.483%0.82582%0.82SS**  trans147.7164.8134.8-67.50000115.6
281L39.2Very low38.4Very low165 Ų165123.1 Ų123.186%0.86482%0.822SS**  trans-82.8175.6-179.9-61.1163.3000112.2
282P37.5Very low37.7Very low124 Ų124125.1 Ų125.181%0.80582%0.82SS**  -142.7162.296.140-27.1000116.4
283S36.5Very low38.2Very low114 Ų114123.4 Ų123.480%0.79781%0.812SS**  trans-164.4150.7163.8-76.40000105.4
284P47.8Very low38.3Very low135 Ų135129.2 Ų129.288%0.87782%0.821SS**  cis-143.5-175.149.641.6-22.7000115.8
285G29.9Very low38.2Very low71 Ų71132.2 Ų132.273%0.73282%0.822SS**  trans17599.816700000114.9
286T37.5Very low38.6Very low140 Ų140132 Ų13286%0.85982%0.821SS**  trans-153.8169.8170.957.20000109
287P45.5Very low38.4Very low125 Ų125135.6 Ų135.681%0.81283%0.825SS**  cis-123.4171.5-7.940.1-26.6000114.1
288A30.7Very low38.4Very low100 Ų100131.9 Ų131.983%0.82682%0.815SS**  trans-141.3143.616200000111.3
289Q33.1Very low39Very low200 Ų200133.3 Ų133.394%0.93582%0.822SS**  trans-64155.5-161-63.8166.1-21.400117.3
290S35.6Very low38.9Very low118 Ų118132.1 Ų132.183%0.82583%0.825SS**  trans-109.7138.4160.8-53.30000110.4
291P45.3Very low38.9Very low132 Ų132134.2 Ų134.286%0.85783%0.827SS**  trans-86.9142.5174.633.4-33000112.8
292H40.3Very low38.7Very low173 Ų173133.3 Ų133.380%0.80182%0.823SS**  trans-119.8127.2173.3-168.6-47.6000109.3
293P47.8Very low38.5Very low115 Ų115133.5 Ų133.575%0.74783%0.828SS**  trans-67.8145.8174.7-20.233.2000112.3
294Q34.7Very low38.3Very low188 Ų188133.3 Ų133.388%0.87983%0.826SS**  trans-95.4154.8179-63.9178.2-63.200112.4
295L35.5Very low37.5Very low163 Ų163131.7 Ų131.785%0.85382%0.818SS**  trans-105.1138.7160.1-72.2170.2000109.1
296P51.8Low37.5Very low123 Ų123134.2 Ų134.280%0.79982%0.819SS**PPolyproline II helixtrans-85136.9177.432.8-32.9000112.1
297H36.4Very low37.5Very low192 Ų192133.4 Ų133.489%0.88981%0.814SS**PPolyproline II helixtrans-84.5146.7162.2-75.9-91.9000110.4
298G35.3Very low36.9Very low68 Ų68135.3 Ų135.370%0.70182%0.817SS**PPolyproline II helixtrans-82.5166.6172.700000113.4
299P50.3Low36.8Very low137 Ų137133.8 Ų133.889%0.8981%0.812SS**PPolyproline II helixtrans-79.3150.4173.134.2-34.4000111.3
300G33.2Very low36.7Very low73 Ų73129.8 Ų129.875%0.75381%0.805SS**  trans-116.1163.5167.600000111.5
301N34.1Very low36.6Very low162 Ų162129.8 Ų129.887%0.86681%0.806SS**  trans-156.1161.8155.7-134.9-23.2000112.3
302N34.4Very low35.9Very low146 Ų146128.4 Ų128.478%0.78181%0.806SS**  trans-81156.1-168.6-59.8-37.2000114.5
303S32.6Very low35.6Very low129 Ų129124.8 Ų124.890%0.90281%0.805SS**  trans-169.5167130.7-86.50000112.4
304S31.5Very low34.8Very low110 Ų110126.6 Ų126.677%0.76981%0.814SS**  trans-115-177.8-157.955.80000116.2
305S32.1Very low34.7Very low100 Ų100123.5 Ų123.570%0.69981%0.813SS**  trans84107157.669.30000121.6
306T30.9Very low34.4Very low124 Ų124120.9 Ų120.976%0.76182%0.815SS**  13.3137122.659.50000118.3
307V36Very low33.5Very low124 Ų124119.8 Ų119.875%0.75282%0.816SS**  -168.816161.7-78.60000114.1
308N32.8Very low33.3Very low164 Ų164115.9 Ų115.988%0.87782%0.817SS**  trans22.8146.7147.2-62-3.5000124.8
309G28.8Very low33Very low69 Ų69116 Ų11671%0.71182%0.818SS**  trans121.895.8154.200000113.5
310S32.3Very low32.1Very low115 Ų115113.8 Ų113.880%0.80481%0.812SS**  75.2109.751.8-54.50000115.6
311S32.6Very low32.1Very low119 Ų119119.7 Ų119.783%0.83282%0.82SS**  trans133152.1132.4-61.90000117.6
312A31.1Very low32.2Very low103 Ų103118.4 Ų118.485%0.85181%0.813SS**  trans72.1119.3157.300000119.7
313A33.7Very low32.7Very low96 Ų96116.9 Ų116.979%0.79381%0.811SS**  trans-105.2162.3161.400000110.1
314V30.3Very low32.8Very low153 Ų153115.4 Ų115.493%0.92780%0.801SS**  trans-149.6153.9153.8-1080000111.2
315S32.2Very low32.9Very low124 Ų124121 Ų12187%0.86781%0.805SS**  trans-95.9154-166.2-41.60000114.2
316A30.5Very low32.9Very low108 Ų108121.2 Ų121.289%0.89381%0.807SS**  trans-155.8166.2148.900000109.8
317A31.6Very low32.8Very low99 Ų99125.5 Ų125.582%0.81882%0.815SS**  trans-138.3-177-167.800000114.1
318A32.8Very low32.7Very low110 Ų110124.3 Ų124.391%0.90981%0.812SS**  trans74.5142.7-173.200000115.3
319G29.1Very low32.6Very low71 Ų71125.2 Ų125.273%0.73281%0.811SS**  cis173.9-177.3-700000113.6
320A31.3Very low32.7Very low91 Ų91131.4 Ų131.475%0.75282%0.819SS**  trans77.8115.9167.600000120.7
321Q33.3Very low32.7Very low197 Ų197130.9 Ų130.992%0.92182%0.815SS**  trans82.2120.8134.7-63.4174.334.800121.6
322N36.3Very low32.6Very low135 Ų135129 Ų12972%0.72281%0.814SS**  trans-99.5166.1168.7-152.5-3000107.4S324N322-S324 PolarHBondContact OD1-N 3.26Å
323P44.5Very low32.6Very low113 Ų113127.9 Ų127.973%0.73481%0.813SS**  -149.6146.972.537.7-18.3000117.1
324S35.2Very low32.6Very low99 Ų99129.7 Ų129.769%0.69282%0.819SS**  trans-81.8138.9160520000112.5N322N322-S324 PolarHBondContact OD1-N 3.26Å
325R33.8Very low32.6Very low227 Ų227126.1 Ų126.186%0.85781%0.814SS**  trans-146.1105165.6-76-164.3178.6-176-0.2108.7
326S31.6Very low32.5Very low105 Ų105124 Ų12473%0.73481%0.812SS**  77.710279.372.80000113
327F29.2Very low32.5Very low214 Ų214122.9 Ų122.994%0.93981%0.81SS**PPolyproline II helixtrans-85.6133.7179.6-158.3-91.1000110.8
328S33.2Very low32.6Very low98 Ų98124.2 Ų124.269%0.68581%0.814SS**PPolyproline II helixtrans-85.7116.5-169.2-580000113.4
329Q31.2Very low32.5Very low184 Ų184122.8 Ų122.886%0.8681%0.809SS**PPolyproline II helixtrans-83.4120.4167.5-175176.45.400109.6
330F31.7Very low32.7Very low199 Ų199123.2 Ų123.287%0.87381%0.814SS**  trans-113.298.3-179.3-118.3-79.1000111.7
331S32.4Very low33.1Very low104 Ų104128.9 Ų128.973%0.72782%0.822SS**PPolyproline II helixtrans-91.1119.3165.933.80000109.8
332G30.5Very low33.4Very low79 Ų79125.8 Ų125.881%0.81482%0.819SS**PPolyproline II helixtrans-74129.2175.100000111.7
333G30.2Very low33.4Very low79 Ų79131.1 Ų131.181%0.81483%0.829SS**PPolyproline II helixtrans-85.4166-178.200000115.1
334S34.7Very low32.9Very low134 Ų134135.1 Ų135.194%0.93783%0.834SS**PPolyproline II helixtrans-91.8166-172.2-40.40000114.7
335G29.3Very low32.9Very low79 Ų79137.3 Ų137.381%0.81484%0.844SS**  trans-161.1137.5156.600000111.2
336G29.2Very low33Very low79 Ų79131.6 Ų131.681%0.81484%0.838SS**  cis175.9165.7-6.700000113.2
337G31Very low33.3Very low84 Ų84134.6 Ų134.687%0.86685%0.845SS**  trans73.6153.2178.300000114.5
338S34.8Very low33.5Very low128 Ų128132.5 Ų132.590%0.89584%0.844SS**  cis-157.1164.7-1265.70000106.6
339G31.2Very low33.5Very low79 Ų79130.7 Ų130.781%0.81484%0.84SS**  cis170.9137.3-3.400000107.7
340G32.8Very low33.7Very low81 Ų81128.2 Ų128.284%0.83584%0.844SS**  trans-175.6141.9-176.200000113
341K39.5Very low34Very low210 Ų210122.5 Ų122.591%0.91383%0.833SS**  trans-94.6147.7-175.1-73.5-178.7178.1176.80112.3
342P39.8Very low34.4Very low131 Ų131123.8 Ų123.885%0.85184%0.837SS**  trans-83.2161.1-176.434.7-36.9000113
343R35.6Very low35Very low248 Ų248124.7 Ų124.794%0.93683%0.831SS**  trans-126.4123.3165.9-148.2176.4-163.6-129.23.3109.6
344K35.1Very low35.7Very low196 Ų196127.2 Ų127.285%0.85284%0.836SS**  trans-70.1147.2173.1-74.8-176.9174.1-177.40110.6
345V35Very low36Very low146 Ų146128.1 Ų128.189%0.88587%0.867SS**  trans-131137149.7179.20000106.6
346S34.1Very low36.4Very low106 Ų106130.6 Ų130.674%0.74187%0.869SS**  trans-93.8155.8-177.1-63.20000112
347L38.7Very low36.7Very low168 Ų168133.3 Ų133.388%0.8887%0.872SS**  trans-81.8136.8165.5-78161.6000111.2
348N33.7Very low37.1Very low170 Ų170136.1 Ų136.191%0.90987%0.872SS**  trans176147.5149.6-91.2-10.3000106.1
349G33.2Very low37.2Very low60 Ų60136.5 Ų136.562%0.61987%0.871SS**  cis142.9139.72.200000109.5
350S34.7Very low37.6Very low133 Ų133140.1 Ų140.193%0.9388%0.875SS**  trans74.9156.6-176.1-46.80000115.6
351A38.5Very low37.9Very low79 Ų79144.1 Ų144.165%0.65388%0.877SS**  cis-172.4172.2-27.900000108.9
352T41.2Very low37.8Very low131 Ų131139.4 Ų139.480%0.80488%0.875SS**  trans63.1137.2170.159.20000116.7
353S43.3Very low37.6Very low97 Ų97140 Ų14068%0.67888%0.876SS**  cis106.1117.512.277.30000115.4
354S45Very low37.8Very low133 Ų133131 Ų13193%0.9387%0.871SS**  trans71.4136.2165.3-51.70000117.4
355G40.9Very low38Very low153 Ų153125.1 Ų125.1100%1.57787%0.873SS**  trans157.90-174.700000109.5

Retrieved 355 of 355 residues in 391.1 ms (Link to these results)

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