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Isoform 3 of Protein phosphatase 3 catalytic subunit alpha AlphaSync

Canonical isoform description: Calcium-dependent, calmodulin-stimulated protein phosphatase which plays an essential role in the transduction of intracellular Ca(2+)-mediated signals1,2,3,4,5. Many of the substrates contain a PxIxIT motif and/or a LxVP motif6,7,8,9,10. In response to increased Ca(2+) levels, dephosphorylates and activates phosphatase SSH1 which results in cofilin dephosphorylation11. In response to increased Ca(2+) levels following mitochondrial depolarization, dephosphorylates DNM1L inducing DNM1L translocation to the mitochondrion12. Positively regulates the CACNA1B/CAV2.2-mediated Ca(2+) release probability at hippocampal neuronal soma and synaptic terminals (By similarity). Dephosphorylates heat shock protein HSPB1 (By similarity). Dephosphorylates and activates transcription factor NFATC113. In response to increased Ca(2+) levels, regulates NFAT-mediated transcription probably by dephosphorylating NFAT and promoting its nuclear translocation14. Dephosphorylates and inactivates transcription factor ELK115. Dephosphorylates DARPP3216. May dephosphorylate CRTC2 at 'Ser-171' resulting in CRTC2 dissociation from 14-3-3 proteins17. Dephosphorylates transcription factor TFEB at 'Ser-211' following Coxsackievirus B3 infection, promoting nuclear translocation18. Required for postnatal development of the nephrogenic zone and superficial glomeruli in the kidneys, cell cycle homeostasis in the nephrogenic zone, and ultimately normal kidney function (By similarity). Plays a role in intracellular AQP2 processing and localization to the apical membrane in the kidney, may thereby be required for efficient kidney filtration (By similarity). Required for secretion of salivary enzymes amylase, peroxidase, lysozyme and sialic acid via formation of secretory vesicles in the submandibular glands (By similarity). Required for calcineurin activity and homosynaptic depotentiation in the hippocampus (By similarity). Required for normal differentiation and survival of keratinocytes and therefore required for epidermis superstructure formation (By similarity). Positively regulates osteoblastic bone formation, via promotion of osteoblast differentiation (By similarity). Positively regulates osteoclast differentiation, potentially via NFATC1 signaling (By similarity). May play a role in skeletal muscle fiber type specification, potentially via NFATC1 signaling (By similarity). Negatively regulates MAP3K14/NIK signaling via inhibition of nuclear translocation of the transcription factors RELA and RELB (By similarity). Required for antigen-specific T-cell proliferation response (By similarity). Dephosphorylates KLHL3, promoting the interaction between KLHL3 and WNK4 and subsequent degradation of WNK419. Negatively regulates SLC9A1 activity20.

AlphaFold DB , UniProt , Accession Q08209-3 (canonical: Q08209), Species HUMAN (Homo sapiens, Human), Gene PPP3CA, Length 469 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
1M54.3Low61.8Low244 Ų244153.4 Ų153.4100%1.20283%0.826SS**  0140.30-74162.3165.100107.3
2S50Low64.3Low117 Ų117145 Ų14582%0.81879%0.788SS**  trans-74.2131.6173.648.60000109.9
3E51.4Low66.5Low179 Ų179145.1 Ų145.184%0.83680%0.796SS**  trans-60.8139.8172.5-64.2-178.8133.600110.3K5E3-K5 PolarHBondContact O-N 3.5Å; E3-K5 VanDerWaalsContact O-N 3.13Å
4P52.3Low68.5Low124 Ų124143.6 Ų143.681%0.80579%0.794SS**  trans-68.5113.1173.328.7-32000108.4A6P4-A6 PolarHBondContact O-N 3.04Å; P4-A6 VanDerWaalsContact O-N 3.11Å
5K54.9Low70.2Confident195 Ų195138.9 Ų138.985%0.84877%0.767SS**  trans-51.4122.9164.4-79.5-173.2173.2-175.30107.8E3 I7E3-K5 PolarHBondContact O-N 3.5Å; E3-K5 VanDerWaalsContact O-N 3.13Å; K5-I7 PolarHBondContact O-N 3.48Å; K5-I7 VanDerWaalsContact O-N 3.14Å
6A57Low71.6Confident98 Ų98136.4 Ų136.481%0.8174%0.742SS**  trans-52.7123.4174.600000108.6P4 D8P4-A6 PolarHBondContact O-N 3.04Å; P4-A6 VanDerWaalsContact O-N 3.11Å; A6-D8 PolarHBondContact O-N 2.88Å
7I55.5Low72.9Confident158 Ų158134.1 Ų134.181%0.8173%0.734SS**  trans-71.6104.2175.5-61.3175000105.7K5 P9K5-I7 PolarHBondContact O-N 3.48Å; K5-I7 VanDerWaalsContact O-N 3.14Å; I7-P9 WeakPolarHBondContact O-CD 3.46Å; I7-P9 VanDerWaalsContact O-N 3.07Å
8D61.2Low74.1Confident141 Ų141131.8 Ų131.875%0.75472%0.724SS**  trans-51.7114.2173.9-1648.7000108A6 K10A6-D8 PolarHBondContact O-N 2.88Å; D8-K10 PolarHBondContact O-N 2.71Å
9P70.5Confident75.2Confident101 Ų101132.6 Ų132.666%0.65672%0.72SS**  trans-64.8115.7-166.123.6-33.6000109.1I7 L11I7-P9 WeakPolarHBondContact O-CD 3.46Å; I7-P9 VanDerWaalsContact O-N 3.07Å; P9-L11 PolarHBondContact O-N 3.01Å
10K84.9Confident76.2Confident204 Ų204130.8 Ų130.889%0.88772%0.723SS**  trans-43.6115.5-178.1-78.1-170.9175.5-175.60109.9D8 S12D8-K10 PolarHBondContact O-N 2.71Å; K10-S12 PolarHBondContact O-N 3.01Å
11L88.3Confident77.2Confident126 Ų126128.4 Ų128.466%0.6671%0.712SS**  trans-52.7132.1-179.6-64.9177.9000109.7P9 T13 V17P9-L11 PolarHBondContact O-N 3.01Å; L11-T13 PolarHBondContact O-N 2.91Å; L11-V17 HydrophobicContact CD1-CG1 4.17Å; L11-V17 HydrophobicContact CD2-CG1 4.38Å
12S91.3Very high79.2Confident53 Ų53121.7 Ų121.737%0.37169%0.687SS.*  trans-58.7133.1176176.10000109.5K10 T14 D15K10-S12 PolarHBondContact O-N 3.01Å; S12-T14 VanDerWaalsContact C-N 3.27Å; S12-T14 PolarHBondContact OG-N 3.46Å; S12-T14 PolarHBondContact OG-OG1 2.84Å; S12-D15 PolarHBondContact OG-N 3.18Å; S12-D15 PolarHBondContact OG-OD1 3.35Å
13T93.1Very high81.4Confident146 Ų146122.7 Ų122.790%0.89668%0.677SS**SBendtrans-84.9-2.717552.40000112.7L11L11-T13 PolarHBondContact O-N 2.91Å
14T94.2Very high83.6Confident125 Ų125116.4 Ų116.477%0.76765%0.652SS**SBendtrans-112.5-34.2178.353.40000113.1S12S12-T14 VanDerWaalsContact C-N 3.27Å; S12-T14 PolarHBondContact OG-N 3.46Å; S12-T14 PolarHBondContact OG-OG1 2.84Å
15D94Very high85.8Confident73 Ų73112.6 Ų112.639%0.3963%0.627SS.*SBendtrans-83.1149.7-178.9-58.435.6000110.4S12 V17 K19S12-D15 PolarHBondContact OG-N 3.18Å; S12-D15 PolarHBondContact OG-OD1 3.35Å; D15-V17 PolarHBondContact O-N 2.64Å; D15-K19 WeakPolarHBondContact OD2-CE 3.35Å; D15-K19 IonicContact OD2-NZ 3.84Å; D15-K19 PolarHBondContact OD2-NZ 2.59Å
16R93.4Very high87.9Confident98 Ų98108.3 Ų108.337%0.3762%0.621SS.*  trans-61.8123.4166.5-69.9175.163.9-107.48109.7K19 V21 P22R16-K19 WeakPolarHBondContact O-CG 3.31Å; R16-V21 VanDerWaalsContact CZ-O 3.27Å; R16-V21 PolarHBondContact NH1-O 2.99Å; R16-V21 PolarHBondContact NH2-O 2.85Å; R16-P22 PolarHBondContact NH2-O 3.26Å
17V93.7Very high89.8Confident98 Ų98108.2 Ų108.259%0.59460%0.604SS**SBendtrans-56.8-51.7179.3178.10000111L11 D15 K19L11-V17 HydrophobicContact CD1-CG1 4.17Å; L11-V17 HydrophobicContact CD2-CG1 4.38Å; D15-V17 PolarHBondContact O-N 2.64Å; V17-K19 PolarHBondContact O-N 3.28Å; V17-K19 VanDerWaalsContact O-N 3.11Å
18V93.8Very high91.9Very high93 Ų93105 Ų10556%0.56458%0.581SS**  trans-88.776.4-179.3-168.40000110.1A20 V21V18-A20 PolarHBondContact O-N 2.83Å; V18-A20 VanDerWaalsContact O-N 3.15Å; V18-V21 HydrophobicContact CG1-CB 4.39Å; V18-V21 HydrophobicContact CG1-CG2 3.79Å; V18-V21 PolarHBondContact O-N 3.26Å
19K93.9Very high93.7Very high147 Ų14798.7 Ų98.764%0.63955%0.548SS*.THydrogen-bonded Turntrans-62.2-18.3-179.1-63.7-169.5175.2-1720114.4D15 R16 V17D15-K19 WeakPolarHBondContact OD2-CE 3.35Å; D15-K19 IonicContact OD2-NZ 3.84Å; D15-K19 PolarHBondContact OD2-NZ 2.59Å; R16-K19 WeakPolarHBondContact O-CG 3.31Å; V17-K19 PolarHBondContact O-N 3.28Å; V17-K19 VanDerWaalsContact O-N 3.11Å
20A96.8Very high95Very high96 Ų9695.9 Ų95.979%0.79353%0.529SS*.THydrogen-bonded Turntrans-73.9-27.7178.100000114.1V18V18-A20 PolarHBondContact O-N 2.83Å; V18-A20 VanDerWaalsContact O-N 3.15Å
21V96.1Very high95.7Very high81 Ų8188.3 Ų88.349%0.49150%0.504SS..SBendtrans-79.3125.2172.2176.30000107.4R16 V18R16-V21 VanDerWaalsContact CZ-O 3.27Å; R16-V21 PolarHBondContact NH1-O 2.99Å; R16-V21 PolarHBondContact NH2-O 2.85Å; V18-V21 HydrophobicContact CG1-CB 4.39Å; V18-V21 HydrophobicContact CG1-CG2 3.79Å; V18-V21 PolarHBondContact O-N 3.26Å
22P96Very high96.2Very high103 Ų10391.2 Ų91.267%0.66951%0.512SS*.PPolyproline II helixtrans-55.2159.7176.1-26.636000113R16R16-P22 PolarHBondContact NH2-O 3.26Å
23F97.1Very high96.5Very high138 Ų13891.4 Ų91.461%0.60551%0.507SS*.PPolyproline II helixtrans-100.1127.9167.5-175.5-103.7000108.6
24P97.9Very high96.8Very high47 Ų4784.5 Ų84.531%0.30546%0.464SS..PPolyproline II helixtrans-55.2137.3178.7-31.538.9000112.7S26 E53P24-S26 PolarHBondContact O-N 2.9Å; P24-E53 HydrophobicContact CB-CB 4.15Å; P24-E53 HydrophobicContact CG-CB 4.23Å; P24-E53 WeakPolarHBondContact CG-OE2 3.48Å
25P98.2Very high97Very high44 Ų4479 Ų7929%0.28643%0.429SS..PPolyproline II helixtrans-71.9120-175.729.6-31.6000109.9H27 K52P25-H27 PolarHBondContact O-N 2.82Å; P25-K52 WeakPolarHBondContact CD-O 3.28Å; P25-K52 HydrophobicContact CG-CB 4.33Å
26S97.9Very high97.2Very high104 Ų10478.4 Ų78.473%0.72743%0.427SS*.  trans-72.5-12.5177.5-42.50000113.4P24P24-S26 PolarHBondContact O-N 2.9Å
27H98.5Very high97.4Very high97 Ų9782.1 Ų82.145%0.44945%0.453SS..PPolyproline II helixtrans-67.5134.6173.217944.5000110.9P25 E33 H49P25-H27 PolarHBondContact O-N 2.82Å; H27-E33 IonicContact CD2-OE1 3.64Å; H27-E33 IonicContact CE1-OE1 2.81Å; H27-E33 IonicContact CE1-OE2 3.33Å; H27-E33 IonicContact NE2-OE1 2.75Å; H27-E33 PolarHBondContact NE2-OE1 3.39Å; H27-E33 IonicContact NE2-OE2 3.85Å; H27-E33 PolarHBondContact NE2-OE2 3.02Å; H27-H49 PolarHBondContact O-CE1 3.01Å; H27-H49 PolarHBondContact O-NE2 3Å
28R98.8Very high97.6Very high89 Ų8983.2 Ų83.234%0.33646%0.456SS..EExtended strand (participates in β ladder)trans-103118.7174.7-78-175.7178.7-92.76.6108.9T30 R55 L56 E57 K169R28-T30 PolarHBondContact O-N 2.93Å; R28-R55 VanDerWaalsContact CA-O 3.3Å; R28-R55 WeakPolarHBondContact CA-O 3.3Å; R28-R55 HydrophobicContact CG-CB 4.4Å; R28-L56 WeakPolarHBondContact CD-O 3.46Å; R28-L56 WeakPolarHBondContact CG-O 3.4Å; R28-L56 PolarHBondContact NH1-O 3.34Å; R28-E57 HydrophobicContact CB-CG 4.1Å; R28-K169 PolarHBondContact NH1-O 3.15Å; R28-K169 PolarHBondContact NH2-O 3.48Å
29L98.8Very high97.7Very high9 Ų980 Ų805%0.04744%0.442CS..EExtended strand (participates in β ladder)trans-63.2130.6-176.6-63.5179.5000111.3E33 V34 I45 H49 R55 L56 E57L29-E33 HydrophobicContact CB-CB 4.41Å; L29-E33 HydrophobicContact CD2-CB 4.17Å; L29-E33 WeakPolarHBondContact CD2-OE1 3.29Å; L29-V34 HydrophobicContact CB-CG2 3.58Å; L29-V34 HydrophobicContact CD1-CG2 3.92Å; L29-V34 HydrophobicContact CG-CG2 4.42Å; L29-I45 HydrophobicContact CD1-CG2 4.05Å; L29-H49 HydrophobicContact CD1-CB 3.7Å; L29-H49 HydrophobicContact CG-CB 4.44Å; L29-R55 PolarHBondContact N-O 3.13Å; L29-L56 HydrophobicContact CB-CD2 3.98Å; L29-L56 HydrophobicContact CD1-CD2 4.03Å; L29-L56 HydrophobicContact CG-CD2 4.35Å; L29-E57 PolarHBondContact O-N 2.96Å; L29-E57 VanDerWaalsContact O-N 3.08Å
30T98.9Very high97.9Very high43 Ų4377.5 Ų77.526%0.26443%0.431SS..PPolyproline II helixtrans-84.3166.3178.868.20000112R28 K32 E33 V34 E57R28-T30 PolarHBondContact O-N 2.93Å; T30-K32 PolarHBondContact O-N 2.79Å; T30-K32 VanDerWaalsContact O-N 3.11Å; T30-E33 VanDerWaalsContact CB-OE2 3.31Å; T30-E33 WeakPolarHBondContact CB-OE2 3.41Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.34Å; T30-E33 PolarHBondContact N-OE2 3.19Å; T30-E33 PolarHBondContact O-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.46Å; T30-V34 PolarHBondContact O-N 3.43Å; T30-E57 WeakPolarHBondContact CA-OE2 3.4Å
31A98.6Very high98Very high44 Ų4473 Ų7336%0.36439%0.394SS..Hα-helixtrans-57-29.2179.100000113.7F35 V60A31-F35 WeakPolarHBondContact O-CB 3.33Å; A31-F35 PolarHBondContact O-N 2.85Å; A31-V60 HydrophobicContact CB-CG2 4.01Å; A31-V60 VanDerWaalsContact N-CG2 3.26Å
32K98.4Very high98.1Very high188 Ų18874.3 Ų74.382%0.81739%0.39SS*.Hα-helixtrans-78.9-19.4178.8-66.1-176.5178.5-179.50114.1T30T30-K32 PolarHBondContact O-N 2.79Å; T30-K32 VanDerWaalsContact O-N 3.11Å
33E98.7Very high98.3Very high57 Ų5770 Ų7027%0.26636%0.362SS..Hα-helixtrans-87.2-39.2176.5-68.9161.399.500110.5H27 L29 T30 R42H27-E33 IonicContact CD2-OE1 3.64Å; H27-E33 IonicContact CE1-OE1 2.81Å; H27-E33 IonicContact CE1-OE2 3.33Å; H27-E33 IonicContact NE2-OE1 2.75Å; H27-E33 PolarHBondContact NE2-OE1 3.39Å; H27-E33 IonicContact NE2-OE2 3.85Å; H27-E33 PolarHBondContact NE2-OE2 3.02Å; L29-E33 HydrophobicContact CB-CB 4.41Å; L29-E33 HydrophobicContact CD2-CB 4.17Å; L29-E33 WeakPolarHBondContact CD2-OE1 3.29Å; T30-E33 VanDerWaalsContact CB-OE2 3.31Å; T30-E33 WeakPolarHBondContact CB-OE2 3.41Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.34Å; T30-E33 PolarHBondContact N-OE2 3.19Å; T30-E33 PolarHBondContact O-N 3.27Å; T30-E33 PolarHBondContact OG1-OE2 3.46Å; E33-R42 PolarHBondContact O-NH1 3.48Å
34V98.8Very high98.3Very high0 Ų069.5 Ų69.50%037%0.366CS..Hα-helixtrans-85.1-32.1-175.5178.90000113.4L29 T30 P41 R42 L56 V60 I64L29-V34 HydrophobicContact CB-CG2 3.58Å; L29-V34 HydrophobicContact CD1-CG2 3.92Å; L29-V34 HydrophobicContact CG-CG2 4.42Å; T30-V34 PolarHBondContact O-N 3.43Å; V34-P41 CarbonylContact O-C 3.47Å; V34-P41 WeakPolarHBondContact O-CA 3.41Å; V34-R42 WeakPolarHBondContact O-CB 3.44Å; V34-R42 PolarHBondContact O-N 3.33Å; V34-L56 HydrophobicContact CG2-CD2 4.2Å; V34-V60 HydrophobicContact CB-CG1 3.84Å; V34-V60 HydrophobicContact CG1-CG1 3.91Å; V34-V60 HydrophobicContact CG2-CG1 3.79Å; V34-I64 HydrophobicContact CG1-CD1 4.06Å
35F98.8Very high98.3Very high9 Ų970.3 Ų70.34%0.03937%0.367CS..BIsolated β-bridgetrans-114.3146179.1-62.1-91.2000111.7A31 G39 K40 P41 V60 R63 I64A31-F35 WeakPolarHBondContact O-CB 3.33Å; A31-F35 PolarHBondContact O-N 2.85Å; F35-G39 VanDerWaalsContact CD1-O 3.26Å; F35-G39 WeakPolarHBondContact CD1-O 3.22Å; F35-K40 CarbonylContact C-O 3.07Å; F35-K40 VanDerWaalsContact CA-O 3.29Å; F35-K40 WeakPolarHBondContact CA-O 3.4Å; F35-P41 HydrophobicContact CD1-CB 4.23Å; F35-P41 HydrophobicContact CE1-CB 4.17Å; F35-V60 HydrophobicContact CE2-CG1 4.1Å; F35-R63 HydrophobicContact CE2-CB 4.35Å; F35-R63 HydrophobicContact CE2-CG 4.08Å; F35-R63 HydrophobicContact CZ-CB 4.27Å; F35-R63 HydrophobicContact CZ-CG 3.77Å; F35-I64 HydrophobicContact CE2-CG1 4.31Å; F35-I64 HydrophobicContact CZ-CG1 3.74Å
36D98.2Very high98.3Very high62 Ų6268.2 Ų68.233%0.33235%0.353SS..  trans-86.5-177.2172.869.821.3000112.9D38 G39 K40 R42D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 WeakPolarHBondContact OD1-CA 3.46Å; D36-D38 WeakPolarHBondContact OD1-CB 3.46Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-G39 PolarHBondContact O-N 2.77Å; D36-G39 PolarHBondContact OD1-N 2.98Å; D36-G39 VanDerWaalsContact OD1-N 3.09Å; D36-K40 PolarHBondContact N-O 2.6Å; D36-K40 PolarHBondContact OD1-N 3.27Å; D36-R42 HydrophobicContact CB-CG 4.11Å
37N97.3Very high98.4Very high175 Ų17565.4 Ų65.494%0.93633%0.328SS*.THydrogen-bonded Turntrans-68.6-22.7-178.5-63.2-23.5000113.6
38D97.4Very high98.4Very high122 Ų12262.9 Ų62.965%0.65232%0.324SS*.THydrogen-bonded Turntrans-83.2-3.6173.3-66.8-7.4000111.3D36 K40D36-D38 VanDerWaalsContact C-N 3.27Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 WeakPolarHBondContact OD1-CA 3.46Å; D36-D38 WeakPolarHBondContact OD1-CB 3.46Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D38-K40 HydrophobicContact CB-CD 4.13Å; D38-K40 HydrophobicContact CB-CG 4.27Å; D38-K40 IonicContact OD2-NZ 3.66Å; D38-K40 PolarHBondContact OD2-NZ 2.92Å
39G96.9Very high98.4Very high26 Ų2659.6 Ų59.627%0.26831%0.312SS..SBendtrans83.58.4-177.100000114.6F35 D36 R63F35-G39 VanDerWaalsContact CD1-O 3.26Å; F35-G39 WeakPolarHBondContact CD1-O 3.22Å; D36-G39 PolarHBondContact O-N 2.77Å; D36-G39 PolarHBondContact OD1-N 2.98Å; D36-G39 VanDerWaalsContact OD1-N 3.09Å; G39-R63 PolarHBondContact O-NH2 2.89Å; G39-R63 VanDerWaalsContact O-NH2 3.14Å
40K98.4Very high98.4Very high93 Ų9359.1 Ų59.140%0.40431%0.31SS..  trans-84147-178.9-61163-173.8149.30111.3F35 D36 D38 L139F35-K40 CarbonylContact C-O 3.07Å; F35-K40 VanDerWaalsContact CA-O 3.29Å; F35-K40 WeakPolarHBondContact CA-O 3.4Å; D36-K40 PolarHBondContact N-O 2.6Å; D36-K40 PolarHBondContact OD1-N 3.27Å; D38-K40 HydrophobicContact CB-CD 4.13Å; D38-K40 HydrophobicContact CB-CG 4.27Å; D38-K40 IonicContact OD2-NZ 3.66Å; D38-K40 PolarHBondContact OD2-NZ 2.92Å; K40-L139 HydrophobicContact CB-CD1 4.17Å; K40-L139 HydrophobicContact CD-CD1 4.44Å
41P98.7Very high98.3Very high3 Ų361 Ų612%0.01932%0.317CS..BIsolated β-bridgetrans-77.6133.1179.230.2-33.3000112V34 F35 V43 A135 I138 L139V34-P41 CarbonylContact O-C 3.47Å; V34-P41 WeakPolarHBondContact O-CA 3.41Å; F35-P41 HydrophobicContact CD1-CB 4.23Å; F35-P41 HydrophobicContact CE1-CB 4.17Å; P41-V43 VanDerWaalsContact C-N 3.34Å; P41-V43 PolarHBondContact O-N 3.44Å; P41-A135 HydrophobicContact CB-CB 3.99Å; P41-A135 HydrophobicContact CG-CB 4.11Å; P41-A135 WeakPolarHBondContact CG-O 3.33Å; P41-I138 HydrophobicContact CG-CB 4.09Å; P41-I138 HydrophobicContact CG-CG2 4.07Å; P41-L139 HydrophobicContact CG-CB 4.21Å
42R98.7Very high98.3Very high107 Ų10764.8 Ų64.840%0.40433%0.325SS..  trans-85.473.6-177.4-58.4179.668.2-133.82.7109.5E33 V34 D36 D44 I45 L46E33-R42 PolarHBondContact O-NH1 3.48Å; V34-R42 WeakPolarHBondContact O-CB 3.44Å; V34-R42 PolarHBondContact O-N 3.33Å; D36-R42 HydrophobicContact CB-CG 4.11Å; R42-D44 PolarHBondContact O-N 3.14Å; R42-D44 VanDerWaalsContact O-N 3.09Å; R42-I45 HydrophobicContact CB-CB 4.41Å; R42-I45 HydrophobicContact CB-CG1 4.07Å; R42-I45 WeakPolarHBondContact O-CB 3.3Å; R42-I45 PolarHBondContact O-N 3.07Å; R42-L46 PolarHBondContact O-N 3.03Å
43V98.3Very high98.4Very high12 Ų1260.4 Ų60.47%0.07331%0.307CS..Hα-helixtrans-56.2-29.2-168.1-66.40000114.6P41 I45 L46 K47 Y132 A135 L136 L139P41-V43 VanDerWaalsContact C-N 3.34Å; P41-V43 PolarHBondContact O-N 3.44Å; V43-I45 PolarHBondContact O-N 3.34Å; V43-L46 PolarHBondContact O-N 2.87Å; V43-K47 WeakPolarHBondContact O-CB 3.48Å; V43-K47 PolarHBondContact O-N 3.46Å; V43-Y132 HydrophobicContact CB-CE2 4.19Å; V43-A135 HydrophobicContact CG1-CB 4.22Å; V43-L136 HydrophobicContact CB-CD2 4.44Å; V43-L136 HydrophobicContact CG1-CD2 4.06Å; V43-L136 HydrophobicContact CG1-CG 4.48Å; V43-L136 HydrophobicContact CG2-CD2 4.47Å; V43-L139 HydrophobicContact CB-CD2 4.41Å; V43-L139 HydrophobicContact CG1-CD2 3.84Å; V43-L139 HydrophobicContact CG2-CD2 3.67Å
44D97.9Very high98.4Very high129 Ų12957.7 Ų57.769%0.6929%0.294SS*.Hα-helixtrans-63.3-40.8174.6-56.9-48.5000112.6R42 A48R42-D44 PolarHBondContact O-N 3.14Å; R42-D44 VanDerWaalsContact O-N 3.09Å; D44-A48 WeakPolarHBondContact O-CB 3.48Å; D44-A48 PolarHBondContact O-N 3.44Å
45I98.6Very high98.4Very high63 Ų6362 Ų6232%0.32331%0.311SS..Hα-helixtrans-67.7-41.3176.5-54.9-61.3000109.7L29 R42 V43 A48 H49L29-I45 HydrophobicContact CD1-CG2 4.05Å; R42-I45 HydrophobicContact CB-CB 4.41Å; R42-I45 HydrophobicContact CB-CG1 4.07Å; R42-I45 WeakPolarHBondContact O-CB 3.3Å; R42-I45 PolarHBondContact O-N 3.07Å; V43-I45 PolarHBondContact O-N 3.34Å; I45-A48 PolarHBondContact O-N 2.79Å; I45-H49 WeakPolarHBondContact O-CB 3.44Å; I45-H49 PolarHBondContact O-N 3.19Å; I45-H49 VanDerWaalsContact O-N 3.13Å
46L98.5Very high98.4Very high0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-62.7-53.5177.4-171.361.4000110.7R42 V43 A48 H49 L50 L56 I64 Y132 A135R42-L46 PolarHBondContact O-N 3.03Å; V43-L46 PolarHBondContact O-N 2.87Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 3.11Å; L46-H49 PolarHBondContact O-N 3.46Å; L46-H49 VanDerWaalsContact O-N 3.15Å; L46-L50 HydrophobicContact CD1-CD1 3.85Å; L46-L50 HydrophobicContact CD1-CD2 4.16Å; L46-L50 HydrophobicContact CD1-CG 3.88Å; L46-L50 HydrophobicContact CG-CD1 3.84Å; L46-L50 HydrophobicContact CG-CG 4.17Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.99Å; L46-L56 HydrophobicContact CD1-CD1 3.99Å; L46-L56 HydrophobicContact CD1-CD2 3.71Å; L46-L56 HydrophobicContact CD1-CG 4.38Å; L46-I64 HydrophobicContact CD2-CD1 4.4Å; L46-Y132 HydrophobicContact CB-CD2 4.45Å; L46-Y132 HydrophobicContact CD2-CD2 3.96Å; L46-Y132 HydrophobicContact CG-CD2 4.07Å; L46-A135 HydrophobicContact CD2-CB 3.47Å; L46-A135 VanDerWaalsContact CD2-CB 3.47Å
47K98.5Very high98.4Very high45 Ų4562.1 Ų62.120%0.19631%0.309CS..Hα-helixtrans-52.4-51.5174.6175.7164.8-179.7171.20111.1V43 H49 M51 M99 E103 Y132V43-K47 WeakPolarHBondContact O-CB 3.48Å; V43-K47 PolarHBondContact O-N 3.46Å; K47-H49 PolarHBondContact O-N 2.81Å; K47-H49 VanDerWaalsContact O-N 3.16Å; K47-M51 HydrophobicContact CD-SD 4.1Å; K47-M51 WeakPolarHBondContact CE-SD 3.46Å; K47-M51 HydrophobicContact CG-CG 4.19Å; K47-M51 HydrophobicContact CG-SD 3.49Å; K47-M51 WeakPolarHBondContact CG-SD 3.41Å; K47-M51 VanDerWaalsContact O-CB 3.25Å; K47-M51 WeakPolarHBondContact O-CB 3.47Å; K47-M51 VanDerWaalsContact O-CG 3.23Å; K47-M51 WeakPolarHBondContact O-CG 3.43Å; K47-M51 PolarHBondContact O-N 3.36Å; K47-M99 HydrophobicContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CE-SD 3.5Å; K47-M99 HydrophobicContact CG-SD 3.67Å; K47-E103 IonicContact NZ-OE1 3.92Å; K47-Y132 HydrophobicContact CB-CE2 3.74Å
48A98.5Very high98.5Very high45 Ų4556.7 Ų56.737%0.37228%0.278SS..Hα-helixtrans-67.7-13.3-176.300000115D44 I45 L46 K52D44-A48 WeakPolarHBondContact O-CB 3.48Å; D44-A48 PolarHBondContact O-N 3.44Å; I45-A48 PolarHBondContact O-N 2.79Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 3.11Å; A48-K52 WeakPolarHBondContact O-CD 3.45Å; A48-K52 VanDerWaalsContact O-CE 3.28Å; A48-K52 WeakPolarHBondContact O-CE 3.43Å; A48-K52 PolarHBondContact O-NZ 3.35Å
49H98.8Very high98.5Very high19 Ų1954.3 Ų54.39%0.08827%0.272CS..Hα-helixtrans-100.8-46.8175.6-169.373.3000112H27 L29 I45 L46 K47 M51 K52 G54 R55H27-H49 PolarHBondContact O-CE1 3.01Å; H27-H49 PolarHBondContact O-NE2 3Å; L29-H49 HydrophobicContact CD1-CB 3.7Å; L29-H49 HydrophobicContact CG-CB 4.44Å; I45-H49 WeakPolarHBondContact O-CB 3.44Å; I45-H49 PolarHBondContact O-N 3.19Å; I45-H49 VanDerWaalsContact O-N 3.13Å; L46-H49 PolarHBondContact O-N 3.46Å; L46-H49 VanDerWaalsContact O-N 3.15Å; K47-H49 PolarHBondContact O-N 2.81Å; K47-H49 VanDerWaalsContact O-N 3.16Å; H49-M51 VanDerWaalsContact C-N 3.32Å; H49-M51 PolarHBondContact O-N 3.1Å; H49-K52 PolarHBondContact O-N 3.1Å; H49-G54 PolarHBondContact CD2-O 3.22Å; H49-G54 VanDerWaalsContact NE2-C 3.26Å; H49-G54 WeakPolarHBondContact NE2-CA 3.33Å; H49-G54 WeakPolarHBondContact O-CA 3.48Å; H49-G54 PolarHBondContact O-N 3.4Å; H49-R55 PolarHBondContact CD2-O 2.68Å; H49-R55 PolarHBondContact NE2-N 3.23Å; H49-R55 VanDerWaalsContact NE2-N 3.17Å; H49-R55 PolarHBondContact NE2-O 3.37Å
50L98.7Very high98.6Very high0 Ų053.2 Ų53.20%026%0.259CS..Hα-helixtrans-62.1-38.2177-61.1-172.9000111.6L46 K52 E53 G54 F95 E128L46-L50 HydrophobicContact CD1-CD1 3.85Å; L46-L50 HydrophobicContact CD1-CD2 4.16Å; L46-L50 HydrophobicContact CD1-CG 3.88Å; L46-L50 HydrophobicContact CG-CD1 3.84Å; L46-L50 HydrophobicContact CG-CG 4.17Å; L46-L50 WeakPolarHBondContact O-CG 3.39Å; L46-L50 PolarHBondContact O-N 2.99Å; L50-K52 PolarHBondContact O-N 3.34Å; L50-E53 PolarHBondContact O-N 2.92Å; L50-G54 WeakPolarHBondContact CD2-O 3.24Å; L50-F95 HydrophobicContact CB-CE1 3.63Å; L50-F95 HydrophobicContact CB-CE2 4.36Å; L50-F95 HydrophobicContact CB-CZ 3.53Å; L50-F95 HydrophobicContact CD1-CE2 4.09Å; L50-F95 HydrophobicContact CD1-CZ 3.99Å; L50-F95 HydrophobicContact CG-CZ 4.4Å; L50-E128 HydrophobicContact CB-CB 4.4Å; L50-E128 HydrophobicContact CB-CG 4.19Å; L50-E128 HydrophobicContact CD1-CB 4.09Å; L50-E128 HydrophobicContact CD1-CG 4.37Å; L50-E128 HydrophobicContact CD2-CG 4.05Å; L50-E128 HydrophobicContact CG-CG 4.41Å
51M98.4Very high98.6Very high82 Ų8248.8 Ų48.840%0.40424%0.24SC..THydrogen-bonded Turntrans-61.9-7.8172.9-76177.862.100114.5K47 H49 F95 M99K47-M51 HydrophobicContact CD-SD 4.1Å; K47-M51 WeakPolarHBondContact CE-SD 3.46Å; K47-M51 HydrophobicContact CG-CG 4.19Å; K47-M51 HydrophobicContact CG-SD 3.49Å; K47-M51 WeakPolarHBondContact CG-SD 3.41Å; K47-M51 VanDerWaalsContact O-CB 3.25Å; K47-M51 WeakPolarHBondContact O-CB 3.47Å; K47-M51 VanDerWaalsContact O-CG 3.23Å; K47-M51 WeakPolarHBondContact O-CG 3.43Å; K47-M51 PolarHBondContact O-N 3.36Å; H49-M51 VanDerWaalsContact C-N 3.32Å; H49-M51 PolarHBondContact O-N 3.1Å; M51-F95 HydrophobicContact CG-CE1 3.98Å; M51-M99 HydrophobicContact CG-CG 4.03Å; M51-M99 HydrophobicContact SD-CG 4.12Å
52K98.6Very high98.7Very high124 Ų12450 Ų5054%0.53925%0.246SC..THydrogen-bonded Turntrans-112.316.9176.1-59.8174.7-174.4132.80111.9P25 A48 H49 L50 G54P25-K52 WeakPolarHBondContact CD-O 3.28Å; P25-K52 HydrophobicContact CG-CB 4.33Å; A48-K52 WeakPolarHBondContact O-CD 3.45Å; A48-K52 VanDerWaalsContact O-CE 3.28Å; A48-K52 WeakPolarHBondContact O-CE 3.43Å; A48-K52 PolarHBondContact O-NZ 3.35Å; H49-K52 PolarHBondContact O-N 3.1Å; L50-K52 PolarHBondContact O-N 3.34Å; K52-G54 PolarHBondContact O-N 2.65Å
53E98.7Very high98.7Very high95 Ų9548.4 Ų48.444%0.44424%0.24SC..THydrogen-bonded Turntrans59.920-171.3-48.7178.386.800113.4P24 L50 F125P24-E53 HydrophobicContact CB-CB 4.15Å; P24-E53 HydrophobicContact CG-CB 4.23Å; P24-E53 WeakPolarHBondContact CG-OE2 3.48Å; L50-E53 PolarHBondContact O-N 2.92Å; E53-F125 HydrophobicContact CG-CE1 4.21Å
54G98.7Very high98.7Very high0 Ų047.8 Ų47.80%024%0.237CC..  trans-72.7142.1177.500000111.7H49 L50 K52H49-G54 PolarHBondContact CD2-O 3.22Å; H49-G54 VanDerWaalsContact NE2-C 3.26Å; H49-G54 WeakPolarHBondContact NE2-CA 3.33Å; H49-G54 WeakPolarHBondContact O-CA 3.48Å; H49-G54 PolarHBondContact O-N 3.4Å; L50-G54 WeakPolarHBondContact CD2-O 3.24Å; K52-G54 PolarHBondContact O-N 2.65Å
55R98.9Very high98.7Very high92 Ų9241.7 Ų41.735%0.34720%0.204SC..EExtended strand (participates in β ladder)trans-110.3162.4-174.1-51.9-179.6-162.2-1792.3111.5R28 L29 H49 I168 K169 Y170R28-R55 VanDerWaalsContact CA-O 3.3Å; R28-R55 WeakPolarHBondContact CA-O 3.3Å; R28-R55 HydrophobicContact CG-CB 4.4Å; L29-R55 PolarHBondContact N-O 3.13Å; H49-R55 PolarHBondContact CD2-O 2.68Å; H49-R55 PolarHBondContact NE2-N 3.23Å; H49-R55 VanDerWaalsContact NE2-N 3.17Å; H49-R55 PolarHBondContact NE2-O 3.37Å; R55-I168 PolarHBondContact NH1-O 2.9Å; R55-K169 WeakPolarHBondContact CD-O 3.46Å; R55-Y170 HydrophobicContact CB-CE1 4.29Å
56L98.9Very high98.8Very high0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-93.8169.9173.5-46.2-176000111R28 L29 V34 L46 V60 I64 L131 Y170R28-L56 WeakPolarHBondContact CD-O 3.46Å; R28-L56 WeakPolarHBondContact CG-O 3.4Å; R28-L56 PolarHBondContact NH1-O 3.34Å; L29-L56 HydrophobicContact CB-CD2 3.98Å; L29-L56 HydrophobicContact CD1-CD2 4.03Å; L29-L56 HydrophobicContact CG-CD2 4.35Å; V34-L56 HydrophobicContact CG2-CD2 4.2Å; L46-L56 HydrophobicContact CD1-CD1 3.99Å; L46-L56 HydrophobicContact CD1-CD2 3.71Å; L46-L56 HydrophobicContact CD1-CG 4.38Å; L56-V60 HydrophobicContact CB-CB 4.27Å; L56-V60 HydrophobicContact CB-CG1 4.29Å; L56-V60 HydrophobicContact CD1-CG1 4.13Å; L56-I64 HydrophobicContact CD1-CD1 3.66Å; L56-L131 HydrophobicContact CD1-CD1 3.98Å; L56-L131 HydrophobicContact CD1-CD2 4.25Å; L56-L131 HydrophobicContact CG-CD1 4.42Å; L56-Y170 HydrophobicContact CB-CE1 4.09Å; L56-Y170 PolarHBondContact N-OH 2.75Å; L56-Y170 WeakPolarHBondContact O-CE1 3.24Å
57E98.9Very high98.8Very high72 Ų7245 Ų4534%0.33622%0.223SC..  trans-66151.2157.8-65.6-174.1130.700110.5R28 L29 T30 S59 V60 A61R28-E57 HydrophobicContact CB-CG 4.1Å; L29-E57 PolarHBondContact O-N 2.96Å; L29-E57 VanDerWaalsContact O-N 3.08Å; T30-E57 WeakPolarHBondContact CA-OE2 3.4Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.94Å; E57-V60 HydrophobicContact CB-CB 4.35Å; E57-V60 HydrophobicContact CB-CG2 3.94Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-V60 VanDerWaalsContact O-N 3.1Å; E57-A61 PolarHBondContact O-N 2.86Å
58E98.8Very high98.8Very high61 Ų6142.8 Ų42.829%0.28521%0.214SC..Hα-helixtrans-58.7-42.7178.2-178.6178.7106.400111.8V60 A61 L62 S171 R173 V174E58-V60 PolarHBondContact O-N 2.93Å; E58-A61 PolarHBondContact O-N 3.05Å; E58-L62 HydrophobicContact CG-CD1 3.87Å; E58-L62 HydrophobicContact CG-CG 4.24Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CG 3.25Å; E58-L62 WeakPolarHBondContact O-CG 3.25Å; E58-L62 PolarHBondContact O-N 2.7Å; E58-S171 WeakPolarHBondContact OE2-CB 3.29Å; E58-S171 PolarHBondContact OE2-OG 2.71Å; E58-R173 IonicContact OE1-CZ 3.23Å; E58-R173 IonicContact OE1-NE 3.1Å; E58-R173 IonicContact OE1-NH1 2.84Å; E58-R173 PolarHBondContact OE1-NH1 3.49Å; E58-V174 HydrophobicContact CG-CG2 3.91Å
59S98.8Very high98.8Very high73 Ų7340.8 Ų40.851%0.5120%0.197SC..Hα-helixtrans-55.2-37.6174.747.90000113.1E57 R63E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.94Å; S59-R63 WeakPolarHBondContact O-CB 3.41Å; S59-R63 PolarHBondContact O-N 2.87Å
60V98.9Very high98.8Very high2 Ų242.4 Ų42.41%0.01221%0.21CC..Hα-helixtrans-79.1-42.1-177.6179.80000110.7A31 V34 F35 L56 E57 E58 R63 I64A31-V60 HydrophobicContact CB-CG2 4.01Å; A31-V60 VanDerWaalsContact N-CG2 3.26Å; V34-V60 HydrophobicContact CB-CG1 3.84Å; V34-V60 HydrophobicContact CG1-CG1 3.91Å; V34-V60 HydrophobicContact CG2-CG1 3.79Å; F35-V60 HydrophobicContact CE2-CG1 4.1Å; L56-V60 HydrophobicContact CB-CB 4.27Å; L56-V60 HydrophobicContact CB-CG1 4.29Å; L56-V60 HydrophobicContact CD1-CG1 4.13Å; E57-V60 HydrophobicContact CB-CB 4.35Å; E57-V60 HydrophobicContact CB-CG2 3.94Å; E57-V60 PolarHBondContact O-N 2.8Å; E57-V60 VanDerWaalsContact O-N 3.1Å; E58-V60 PolarHBondContact O-N 2.93Å; V60-R63 PolarHBondContact O-N 2.86Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.8Å
61A98.9Very high98.8Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-59.3-51.1172.200000111.4E57 E58 R63 I64 I65 L131 Y170 V174E57-A61 PolarHBondContact O-N 2.86Å; E58-A61 PolarHBondContact O-N 3.05Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 PolarHBondContact O-N 3.19Å; A61-I64 PolarHBondContact O-N 3.23Å; A61-I65 WeakPolarHBondContact O-CD1 3.28Å; A61-I65 VanDerWaalsContact O-CG1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3Å; A61-I65 PolarHBondContact O-N 2.82Å; A61-L131 HydrophobicContact CB-CD1 4.46Å; A61-L131 HydrophobicContact CB-CD2 3.89Å; A61-Y170 HydrophobicContact CB-CD1 4.21Å; A61-Y170 HydrophobicContact CB-CE1 4.09Å; A61-V174 HydrophobicContact CB-CG2 4.43Å
62L98.9Very high98.8Very high29 Ų2940.2 Ų40.215%0.15220%0.2CC..Hα-helixtrans-58.4-38.3175.9-70.3174.1000112.1E58 I65 T66 V174 A177E58-L62 HydrophobicContact CG-CD1 3.87Å; E58-L62 HydrophobicContact CG-CG 4.24Å; E58-L62 WeakPolarHBondContact O-CB 3.41Å; E58-L62 VanDerWaalsContact O-CG 3.25Å; E58-L62 WeakPolarHBondContact O-CG 3.25Å; E58-L62 PolarHBondContact O-N 2.7Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-T66 WeakPolarHBondContact O-CB 3.44Å; L62-T66 WeakPolarHBondContact O-CG2 3.46Å; L62-T66 PolarHBondContact O-N 2.96Å; L62-T66 PolarHBondContact O-OG1 2.93Å; L62-V174 HydrophobicContact CD2-CG2 4.06Å; L62-V174 HydrophobicContact CG-CG2 4.19Å; L62-A177 HydrophobicContact CD2-CB 3.5Å
63R98.9Very high98.9Very high73 Ų7340 Ų4028%0.27520%0.196SC..Hα-helixtrans-63.2-48.8176.6-175.2175.1176.6-129.3-32.6112F35 G39 S59 V60 A61 I65 T66 E67F35-R63 HydrophobicContact CE2-CB 4.35Å; F35-R63 HydrophobicContact CE2-CG 4.08Å; F35-R63 HydrophobicContact CZ-CB 4.27Å; F35-R63 HydrophobicContact CZ-CG 3.77Å; G39-R63 PolarHBondContact O-NH2 2.89Å; G39-R63 VanDerWaalsContact O-NH2 3.14Å; S59-R63 WeakPolarHBondContact O-CB 3.41Å; S59-R63 PolarHBondContact O-N 2.87Å; V60-R63 PolarHBondContact O-N 2.86Å; A61-R63 VanDerWaalsContact C-N 3.28Å; A61-R63 PolarHBondContact O-N 3.19Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-I65 PolarHBondContact O-N 2.98Å; R63-T66 PolarHBondContact O-N 3.22Å; R63-T66 PolarHBondContact O-OG1 2.97Å; R63-E67 HydrophobicContact CG-CG 4.29Å; R63-E67 IonicContact CZ-OE1 3.57Å; R63-E67 IonicContact CZ-OE2 3.01Å; R63-E67 IonicContact NE-OE1 2.7Å; R63-E67 PolarHBondContact NE-OE1 3.47Å; R63-E67 IonicContact NE-OE2 2.86Å; R63-E67 IonicContact NH2-OE1 3.81Å; R63-E67 PolarHBondContact NH2-OE1 3.44Å; R63-E67 IonicContact NH2-OE2 3.84Å; R63-E67 PolarHBondContact NH2-OE2 3.05Å; R63-E67 VanDerWaalsContact NH2-OE2 3.15Å; R63-E67 WeakPolarHBondContact O-CB 3.41Å; R63-E67 WeakPolarHBondContact O-CG 3.48Å; R63-E67 PolarHBondContact O-N 2.93Å
64I98.9Very high98.9Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-57.7-48.3176.1-68.4170.8000110.9V34 F35 L46 L56 V60 A61 T66 G68 L131 W134 A135 I138V34-I64 HydrophobicContact CG1-CD1 4.06Å; F35-I64 HydrophobicContact CE2-CG1 4.31Å; F35-I64 HydrophobicContact CZ-CG1 3.74Å; L46-I64 HydrophobicContact CD2-CD1 4.4Å; L56-I64 HydrophobicContact CD1-CD1 3.66Å; V60-I64 WeakPolarHBondContact O-CG1 3.48Å; V60-I64 PolarHBondContact O-N 2.8Å; A61-I64 PolarHBondContact O-N 3.23Å; I64-T66 PolarHBondContact O-N 2.84Å; I64-G68 PolarHBondContact O-N 2.89Å; I64-L131 HydrophobicContact CB-CD2 4.21Å; I64-L131 HydrophobicContact CD1-CD2 4.33Å; I64-L131 HydrophobicContact CG2-CD2 4.2Å; I64-L131 WeakPolarHBondContact CG2-O 3.31Å; I64-W134 HydrophobicContact CG2-CB 3.64Å; I64-A135 HydrophobicContact CG2-CB 4.27Å; I64-I138 HydrophobicContact CG2-CD1 4.36Å; I64-I138 WeakPolarHBondContact O-CD1 3.38Å
65I99Very high98.9Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-62.6-46.8-177.4-66.9158.4000110.7A61 L62 R63 A69 L131 W134 V174 A177 C178 A181A61-I65 WeakPolarHBondContact O-CD1 3.28Å; A61-I65 VanDerWaalsContact O-CG1 3.3Å; A61-I65 WeakPolarHBondContact O-CG1 3Å; A61-I65 PolarHBondContact O-N 2.82Å; L62-I65 PolarHBondContact O-N 3.45Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-I65 PolarHBondContact O-N 2.98Å; I65-A69 WeakPolarHBondContact O-CB 3.24Å; I65-A69 PolarHBondContact O-N 2.85Å; I65-L131 HydrophobicContact CD1-CD2 4.15Å; I65-L131 HydrophobicContact CG1-CD2 4.11Å; I65-W134 VanDerWaalsContact O-CD1 3.31Å; I65-V174 HydrophobicContact CD1-CG1 3.78Å; I65-A177 VanDerWaalsContact CG2-C 3.49Å; I65-A177 HydrophobicContact CG2-CB 3.99Å; I65-A177 WeakPolarHBondContact CG2-O 3.3Å; I65-C178 VanDerWaalsContact CD1-SG 3.5Å; I65-A181 HydrophobicContact CG2-CB 3.73Å
66T98.9Very high98.9Very high73 Ų7345.2 Ų45.245%0.44822%0.222SC..Hα-helixtrans-76.7-32.6-176.154.30000114.2L62 R63 I64 S70L62-T66 WeakPolarHBondContact O-CB 3.44Å; L62-T66 WeakPolarHBondContact O-CG2 3.46Å; L62-T66 PolarHBondContact O-N 2.96Å; L62-T66 PolarHBondContact O-OG1 2.93Å; R63-T66 PolarHBondContact O-N 3.22Å; R63-T66 PolarHBondContact O-OG1 2.97Å; I64-T66 PolarHBondContact O-N 2.84Å; T66-S70 WeakPolarHBondContact O-CB 3.49Å; T66-S70 PolarHBondContact O-N 3.12Å; T66-S70 PolarHBondContact O-OG 2.66Å
67E98.9Very high98.9Very high59 Ų5946 Ų4628%0.27623%0.226SC..Hα-helixtrans-68.4-46.3172.1-75.5179.7178.700111.1R63 A69 S70 I71 I138R63-E67 HydrophobicContact CG-CG 4.29Å; R63-E67 IonicContact CZ-OE1 3.57Å; R63-E67 IonicContact CZ-OE2 3.01Å; R63-E67 IonicContact NE-OE1 2.7Å; R63-E67 PolarHBondContact NE-OE1 3.47Å; R63-E67 IonicContact NE-OE2 2.86Å; R63-E67 IonicContact NH2-OE1 3.81Å; R63-E67 PolarHBondContact NH2-OE1 3.44Å; R63-E67 IonicContact NH2-OE2 3.84Å; R63-E67 PolarHBondContact NH2-OE2 3.05Å; R63-E67 VanDerWaalsContact NH2-OE2 3.15Å; R63-E67 WeakPolarHBondContact O-CB 3.41Å; R63-E67 WeakPolarHBondContact O-CG 3.48Å; R63-E67 PolarHBondContact O-N 2.93Å; E67-A69 PolarHBondContact O-N 3.22Å; E67-S70 PolarHBondContact O-N 2.92Å; E67-S70 VanDerWaalsContact O-N 3.15Å; E67-I71 PolarHBondContact O-N 3.03Å; E67-I138 HydrophobicContact CB-CD1 3.73Å; E67-I138 HydrophobicContact CB-CG1 4.04Å
68G98.9Very high98.9Very high0 Ų042.6 Ų42.60%021%0.21CC..Hα-helixtrans-62.6-42.9175.600000112.6I64 S70 I71 L72I64-G68 PolarHBondContact O-N 2.89Å; G68-S70 VanDerWaalsContact C-N 3.27Å; G68-S70 PolarHBondContact O-N 2.91Å; G68-I71 PolarHBondContact O-N 2.7Å; G68-I71 VanDerWaalsContact O-N 3.14Å; G68-L72 WeakPolarHBondContact O-CG 3.49Å; G68-L72 PolarHBondContact O-N 3.19Å
69A98.9Very high98.9Very high3 Ų340 Ų403%0.02520%0.199CC..Hα-helixtrans-57.5-39.5172.400000112.7I65 E67 I71 L72 R73 A181I65-A69 WeakPolarHBondContact O-CB 3.24Å; I65-A69 PolarHBondContact O-N 2.85Å; E67-A69 PolarHBondContact O-N 3.22Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 3.02Å; A69-L72 PolarHBondContact O-N 2.59Å; A69-R73 VanDerWaalsContact O-CB 3.27Å; A69-R73 WeakPolarHBondContact O-CB 3.36Å; A69-R73 PolarHBondContact O-N 2.93Å; A69-A181 HydrophobicContact CB-CB 3.63Å
70S98.9Very high98.9Very high52 Ų5239.6 Ų39.636%0.36419%0.191SC..Hα-helixtrans-70.6-22.1-179.9-60.50000113.2T66 E67 G68 Q74T66-S70 WeakPolarHBondContact O-CB 3.49Å; T66-S70 PolarHBondContact O-N 3.12Å; T66-S70 PolarHBondContact O-OG 2.66Å; E67-S70 PolarHBondContact O-N 2.92Å; E67-S70 VanDerWaalsContact O-N 3.15Å; G68-S70 VanDerWaalsContact C-N 3.27Å; G68-S70 PolarHBondContact O-N 2.91Å; S70-Q74 PolarHBondContact O-NE2 2.91Å
71I98.9Very high98.8Very high36 Ų3639.5 Ų39.519%0.18519%0.19CC..Hα-helixtrans-78.1-52.6168.7-63.9164.1000109.7E67 G68 A69 R73 Q74 K137 I138 P141E67-I71 PolarHBondContact O-N 3.03Å; G68-I71 PolarHBondContact O-N 2.7Å; G68-I71 VanDerWaalsContact O-N 3.14Å; A69-I71 VanDerWaalsContact C-N 3.26Å; A69-I71 PolarHBondContact O-N 3.02Å; I71-R73 PolarHBondContact O-N 2.73Å; I71-Q74 WeakPolarHBondContact O-CB 3.21Å; I71-Q74 PolarHBondContact O-N 2.93Å; I71-K137 HydrophobicContact CG2-CG 4.49Å; I71-I138 HydrophobicContact CD1-CB 4.25Å; I71-I138 HydrophobicContact CD1-CG1 4Å; I71-P141 HydrophobicContact CD1-CB 4.39Å; I71-P141 HydrophobicContact CG2-CB 3.95Å
72L98.9Very high98.3Very high0 Ų044.4 Ų44.40%022%0.216CC..Hα-helixtrans-55.4-38.4179.8-67.8168000112.3G68 A69 Q74 E75 W134 K137 L146 C184 L185 R217G68-L72 WeakPolarHBondContact O-CG 3.49Å; G68-L72 PolarHBondContact O-N 3.19Å; A69-L72 PolarHBondContact O-N 2.59Å; L72-Q74 PolarHBondContact O-N 2.79Å; L72-E75 WeakPolarHBondContact O-CB 3.36Å; L72-E75 PolarHBondContact O-N 3.07Å; L72-W134 HydrophobicContact CD1-CZ2 3.79Å; L72-K137 HydrophobicContact CD2-CD 4.23Å; L72-K137 HydrophobicContact CD2-CG 4.28Å; L72-K137 HydrophobicContact CG-CG 4.45Å; L72-L146 HydrophobicContact CD2-CB 4.43Å; L72-C184 CarbonylContact C-O 3.53Å; L72-C184 HydrophobicContact CB-CB 3.97Å; L72-L185 HydrophobicContact CD1-CD2 3.68Å; L72-L185 HydrophobicContact CD1-CG 4.26Å; L72-L185 HydrophobicContact CD2-CD2 4.1Å; L72-R217 PolarHBondContact O-NH2 3.03Å
73R98.8Very high97.4Very high121 Ų12145.3 Ų45.346%0.45723%0.228SC..THydrogen-bonded Turntrans-61.9-23.5177-168.5177.1-63.5125.30.8114A69 I71 C184 F218A69-R73 VanDerWaalsContact O-CB 3.27Å; A69-R73 WeakPolarHBondContact O-CB 3.36Å; A69-R73 PolarHBondContact O-N 2.93Å; I71-R73 PolarHBondContact O-N 2.73Å; R73-C184 HydrophobicContact CB-CB 4.15Å; R73-C184 VanDerWaalsContact CZ-SG 3.57Å; R73-C184 PolarHBondContact NE-SG 3.26Å; R73-C184 PolarHBondContact NH2-SG 3.28Å; R73-F218 HydrophobicContact CB-CE1 4.46Å; R73-F218 HydrophobicContact CG-CE1 3.95Å; R73-F218 HydrophobicContact CG-CZ 4.37Å
74Q98.8Very high97.1Very high163 Ų16346.5 Ų46.576%0.76225%0.245SC*.THydrogen-bonded Turntrans-87.6-9.9175.4-63.2171.950.700112.7S70 I71 L72S70-Q74 PolarHBondContact O-NE2 2.91Å; I71-Q74 WeakPolarHBondContact O-CB 3.21Å; I71-Q74 PolarHBondContact O-N 2.93Å; L72-Q74 PolarHBondContact O-N 2.79Å
75E98.9Very high96.6Very high16 Ų1646.9 Ų46.98%0.07525%0.247CC..SBendtrans-86.7153.5179.5-55.2-165.9137.700111.3L72 L79 K137 K142 P186 R217L72-E75 WeakPolarHBondContact O-CB 3.36Å; L72-E75 PolarHBondContact O-N 3.07Å; E75-L79 HydrophobicContact CB-CD2 3.78Å; E75-K137 IonicContact OE1-NZ 2.79Å; E75-K137 PolarHBondContact OE1-NZ 2.76Å; E75-K137 WeakPolarHBondContact OE2-CE 3.33Å; E75-K137 IonicContact OE2-NZ 3.35Å; E75-K137 PolarHBondContact OE2-NZ 2.96Å; E75-K142 IonicContact OE1-NZ 2.68Å; E75-P186 HydrophobicContact CB-CG 4.05Å; E75-R217 VanDerWaalsContact O-CZ 3.29Å; E75-R217 PolarHBondContact O-NH1 2.84Å; E75-R217 PolarHBondContact O-NH2 2.9Å
76K98.8Very high96.2Very high117 Ų11747.1 Ų47.151%0.50925%0.249SC..  trans-75.2161.1-178.5-61.7-177.1-61.3-179.10111L78 D80 P186K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 VanDerWaalsContact CB-O 3.3Å; K76-L78 WeakPolarHBondContact CB-O 3.4Å; K76-L78 WeakPolarHBondContact CE-O 3.48Å; K76-L78 PolarHBondContact O-N 3.4Å; K76-D80 IonicContact NZ-OD2 3.48Å; K76-D80 PolarHBondContact NZ-OD2 2.95Å; K76-P186 WeakPolarHBondContact O-CB 3.44Å
77N98.9Very high96Very high15 Ų1543.7 Ų43.78%0.0823%0.228CC..SBendtrans-60-43173.7-60.3-3.6000112L187 A188 I212 L215 R217N77-L187 PolarHBondContact O-N 2.79Å; N77-A188 PolarHBondContact O-N 2.93Å; N77-I212 HydrophobicContact CB-CG2 4.4Å; N77-I212 WeakPolarHBondContact CB-O 3.2Å; N77-I212 PolarHBondContact ND2-O 3.43Å; N77-L215 PolarHBondContact ND2-O 2.83Å; N77-R217 WeakPolarHBondContact OD1-CD 3.38Å; N77-R217 PolarHBondContact OD1-NH1 2.87Å
78L98.9Very high95.9Very high1 Ų140.9 Ų40.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-106.5109.7171.5-177.766.7000107.5K76 A188 A189 L190 L196 L209 I212 R213K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 VanDerWaalsContact CB-O 3.3Å; K76-L78 WeakPolarHBondContact CB-O 3.4Å; K76-L78 WeakPolarHBondContact CE-O 3.48Å; K76-L78 PolarHBondContact O-N 3.4Å; L78-A188 WeakPolarHBondContact CA-O 3.48Å; L78-A188 HydrophobicContact CD1-CB 3.5Å; L78-A189 VanDerWaalsContact CD1-C 3.5Å; L78-L190 HydrophobicContact CD1-CB 4.16Å; L78-L190 HydrophobicContact CD2-CB 4.39Å; L78-L190 HydrophobicContact CG-CB 4.26Å; L78-L196 HydrophobicContact CD1-CD1 4.03Å; L78-L209 HydrophobicContact CD2-CB 3.92Å; L78-L209 HydrophobicContact CD2-CD2 4.01Å; L78-L209 HydrophobicContact CD2-CG 4.4Å; L78-I212 HydrophobicContact CB-CG2 4.17Å; L78-R213 HydrophobicContact CB-CG 4.14Å; L78-R213 HydrophobicContact CD2-CG 4.35Å
79L98.8Very high95.8Very high8 Ų840.9 Ų40.94%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-70.3159.2172.3-56.7177.9000110.6E75 I81 F145 L147 P186 A188 A189 L190E75-L79 HydrophobicContact CB-CD2 3.78Å; L79-I81 HydrophobicContact CB-CD1 4.08Å; L79-I81 HydrophobicContact CB-CG1 4.01Å; L79-I81 HydrophobicContact CD1-CD1 3.99Å; L79-F145 HydrophobicContact CD1-CB 3.95Å; L79-F145 HydrophobicContact CD1-CD1 3.89Å; L79-F145 HydrophobicContact CD1-CG 4.23Å; L79-L147 HydrophobicContact CD1-CD2 3.88Å; L79-L147 HydrophobicContact CG-CD2 4.47Å; L79-P186 HydrophobicContact CD1-CB 4.13Å; L79-P186 HydrophobicContact CD1-CG 4.13Å; L79-P186 HydrophobicContact CD2-CB 4.08Å; L79-P186 HydrophobicContact CD2-CG 3.78Å; L79-P186 HydrophobicContact CG-CB 3.91Å; L79-P186 HydrophobicContact CG-CG 4.08Å; L79-A188 PolarHBondContact N-O 2.82Å; L79-A189 HydrophobicContact CB-CB 3.86Å; L79-A189 HydrophobicContact CD1-CB 4.47Å; L79-L190 PolarHBondContact O-N 2.82Å
80D98.6Very high95.7Very high63 Ų6340.8 Ų40.834%0.33721%0.214SC..EExtended strand (participates in β ladder)trans-114.8125.7163.3-66.3-84.8000107.5K76 Q193K76-D80 IonicContact NZ-OD2 3.48Å; K76-D80 PolarHBondContact NZ-OD2 2.95Å; D80-Q193 PolarHBondContact OD1-NE2 2.95Å
81I96.6Very high95.7Very high1 Ų138.5 Ų38.51%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-135.8101.7-170.4-59.4-178.2000110L79 V85 L114 F145 A189 L190 M191 N192L79-I81 HydrophobicContact CB-CD1 4.08Å; L79-I81 HydrophobicContact CB-CG1 4.01Å; L79-I81 HydrophobicContact CD1-CD1 3.99Å; I81-V85 HydrophobicContact CG2-CB 4.22Å; I81-V85 HydrophobicContact CG2-CG1 4.22Å; I81-V85 HydrophobicContact CG2-CG2 4.05Å; I81-L114 HydrophobicContact CD1-CB 4.44Å; I81-L114 HydrophobicContact CD1-CD1 3.76Å; I81-L114 HydrophobicContact CD1-CD2 4.13Å; I81-L114 HydrophobicContact CD1-CG 4.33Å; I81-F145 HydrophobicContact CD1-CB 3.8Å; I81-F145 HydrophobicContact CD1-CD1 4.16Å; I81-F145 HydrophobicContact CD1-CD2 3.61Å; I81-F145 HydrophobicContact CD1-CE2 4.2Å; I81-F145 HydrophobicContact CD1-CG 3.58Å; I81-F145 HydrophobicContact CG1-CD2 4.08Å; I81-F145 HydrophobicContact CG1-CE2 4.15Å; I81-F145 HydrophobicContact CG1-CG 4.25Å; I81-F145 HydrophobicContact CG1-CZ 4.39Å; I81-F145 HydrophobicContact CG2-CD2 4.22Å; I81-F145 HydrophobicContact CG2-CE2 4.12Å; I81-A189 HydrophobicContact CD1-CB 3.6Å; I81-A189 HydrophobicContact CG1-CB 4.19Å; I81-L190 PolarHBondContact N-O 2.93Å; I81-M191 HydrophobicContact CG2-CG 4.47Å; I81-M191 CarbonylContact O-C 3.56Å; I81-M191 WeakPolarHBondContact O-CA 3.45Å; I81-N192 PolarHBondContact O-N 3.04Å
82D89.3Confident95.7Very high102 Ų10237 Ų3755%0.54519%0.19SC..PPolyproline II helixtrans-65.9149.4174.1-47-59.8000112.5R112D82-R112 PolarHBondContact O-NE 3.26Å; D82-R112 PolarHBondContact O-NH2 3.44Å
83A81.1Confident95.6Very high49 Ų4937 Ų3741%0.40519%0.19SC..SBendtrans-76.7159.8171.500000112.2N192A83-N192 HydrophobicContact CB-CB 4.07Å; A83-N192 WeakPolarHBondContact CB-OD1 3.44Å; A83-N192 PolarHBondContact N-OD1 3.46Å
84P91.5Very high95.6Very high98 Ų9832.6 Ų32.664%0.63618%0.175SC*.SBendcis-70151.8-6.331.3-36000111.9R112P84-R112 WeakPolarHBondContact O-CB 3.32Å; P84-R112 VanDerWaalsContact O-CD 3.3Å; P84-R112 WeakPolarHBondContact O-CD 3.4Å; P84-R112 PolarHBondContact O-NE 3.06Å
85V88.6Confident95.6Very high7 Ų724.9 Ų24.94%0.04214%0.138CC..  trans-153.2138.8173.658.80000109.7I81 V87 R112 L114 M191I81-V85 HydrophobicContact CG2-CB 4.22Å; I81-V85 HydrophobicContact CG2-CG1 4.22Å; I81-V85 HydrophobicContact CG2-CG2 4.05Å; V85-V87 HydrophobicContact CG1-CG2 4.42Å; V85-R112 WeakPolarHBondContact CA-O 3.35Å; V85-R112 HydrophobicContact CB-CB 4.2Å; V85-R112 HydrophobicContact CG2-CB 4.22Å; V85-L114 HydrophobicContact CG2-CB 3.89Å; V85-M191 HydrophobicContact CG1-CG 3.49Å; V85-M191 VanDerWaalsContact CG1-CG 3.49Å; V85-M191 HydrophobicContact CG1-SD 3.82Å
86T91.3Very high95.5Very high6 Ų628.3 Ų28.34%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-89.9114.3172.8-60.20000109.3T111 R112 Y113 L114 L323T86-T111 VanDerWaalsContact OG1-CG2 3.26Å; T86-T111 WeakPolarHBondContact OG1-CG2 3.36Å; T86-R112 PolarHBondContact N-O 3.1Å; T86-Y113 HydrophobicContact CG2-CD1 4.09Å; T86-Y113 HydrophobicContact CG2-CE1 3.59Å; T86-Y113 WeakPolarHBondContact O-CA 3.24Å; T86-L114 PolarHBondContact O-N 2.92Å; T86-L323 HydrophobicContact CG2-CB 3.96Å; T86-L323 HydrophobicContact CG2-CD2 3.7Å; T86-L323 HydrophobicContact CG2-CG 4.31Å
87V93.7Very high95.3Very high0 Ų025.3 Ų25.30%014%0.143CC..EExtended strand (participates in β ladder)trans-92.6133.5178.9-171.60000110.2V85 L114 L116 L278 I305V85-V87 HydrophobicContact CG1-CG2 4.42Å; V87-L114 CarbonylContact C-O 3.55Å; V87-L114 WeakPolarHBondContact CA-O 3.35Å; V87-L114 HydrophobicContact CG1-CD2 4.49Å; V87-L114 HydrophobicContact CG2-CD2 4.42Å; V87-L116 HydrophobicContact CG1-CD1 3.88Å; V87-L116 HydrophobicContact CG1-CD2 4.05Å; V87-L116 HydrophobicContact CG1-CG 3.97Å; V87-L278 HydrophobicContact CG2-CD1 4.17Å; V87-I305 HydrophobicContact CB-CD1 4.04Å; V87-I305 HydrophobicContact CG1-CD1 3.68Å
88C96.4Very high95.2Very high0 Ų024.7 Ų24.70%014%0.14CC..EExtended strand (participates in β ladder)trans-129.3137.3-175.4-540000110.4L101 L114 F115 L116C88-L101 HydrophobicContact CB-CD1 4.15Å; C88-L114 PolarHBondContact N-O 3.04Å; C88-F115 HydrophobicContact CB-CD1 3.51Å; C88-F115 HydrophobicContact CB-CE1 3.7Å; C88-F115 HydrophobicContact CB-CG 4.07Å; C88-F115 HydrophobicContact CB-CZ 4.41Å; C88-F115 WeakPolarHBondContact O-CA 3.44Å; C88-L116 WeakPolarHBondContact O-CG 3.47Å; C88-L116 PolarHBondContact O-N 3.38Å
89G96.4Very high95.1Very high0 Ų024.9 Ų24.90%014%0.14CC..  trans-90.2-155.4174.300000112.9I305 S307G89-I305 WeakPolarHBondContact CA-O 3.34Å; G89-S307 PolarHBondContact N-OG 2.85Å
90D98Very high94.7Very high2 Ų228.7 Ų28.71%0.01116%0.157CC..  trans-50.6141.3-178-44.4-1.5000112.5D118 H199 A280 H281 F306 S307 A308D90-D118 HydrophobicContact CB-CB 4.09Å; D90-H199 IonicContact OD1-CE1 2.71Å; D90-H199 PolarHBondContact OD1-CE1 2.84Å; D90-H199 IonicContact OD1-ND1 2.76Å; D90-A280 WeakPolarHBondContact OD1-CB 3.35Å; D90-H281 PolarHBondContact OD1-N 2.98Å; D90-H281 WeakPolarHBondContact OD2-CA 3.5Å; D90-H281 PolarHBondContact OD2-N 2.99Å; D90-F306 HydrophobicContact CB-CD2 3.87Å; D90-F306 HydrophobicContact CB-CE2 3.72Å; D90-F306 WeakPolarHBondContact OD2-CD2 3.3Å; D90-F306 WeakPolarHBondContact OD2-CE2 3.49Å; D90-S307 CarbonylContact O-C 3.25Å; D90-S307 VanDerWaalsContact O-CA 3.32Å; D90-S307 WeakPolarHBondContact O-CA 3.39Å; D90-S307 WeakPolarHBondContact O-CB 3.43Å; D90-S307 PolarHBondContact O-N 2.83Å; D90-A308 PolarHBondContact O-N 2.94Å
91I98.3Very high94.4Very high3 Ų326.2 Ų26.22%0.01514%0.143CC..  trans-120.6-28.5-177.6-54.6-63000112.3G93 Q94 L98 L101 F115 D118I91-G93 VanDerWaalsContact C-N 3.33Å; I91-G93 PolarHBondContact O-N 2.93Å; I91-G93 VanDerWaalsContact O-N 3.11Å; I91-Q94 WeakPolarHBondContact O-CB 3.48Å; I91-Q94 PolarHBondContact O-N 2.99Å; I91-L98 HydrophobicContact CD1-CD1 4.22Å; I91-L98 HydrophobicContact CG2-CB 4.19Å; I91-L98 HydrophobicContact CG2-CD1 4.39Å; I91-L98 HydrophobicContact CG2-CD2 4.48Å; I91-L101 HydrophobicContact CD1-CD1 3.75Å; I91-F115 HydrophobicContact CD1-CD1 4.19Å; I91-F115 HydrophobicContact CD1-CE1 4.1Å; I91-F115 HydrophobicContact CG1-CD1 4.16Å; I91-F115 HydrophobicContact CG1-CE1 4.39Å; I91-D118 PolarHBondContact N-O 2.85Å
92H98.3Very high94.1Very high6 Ų626.8 Ų26.83%0.02815%0.146CC..THydrogen-bonded Turntrans42.150.3171.6-79.2-45.6000115.4Q94 D118 V120 D121 R122 G123 H151 Y311H92-Q94 PolarHBondContact O-N 3.14Å; H92-Q94 VanDerWaalsContact O-N 3.07Å; H92-D118 IonicContact CE1-OD2 2.81Å; H92-D118 PolarHBondContact N-O 3.12Å; H92-D118 IonicContact NE2-OD2 3.36Å; H92-V120 PolarHBondContact ND1-O 3.18Å; H92-D121 CarbonylContact C-O 3.51Å; H92-D121 WeakPolarHBondContact CA-O 3.37Å; H92-R122 HydrophobicContact CB-CB 4.18Å; H92-R122 HydrophobicContact CB-CG 4.49Å; H92-G123 WeakPolarHBondContact O-CA 3.33Å; H92-G123 PolarHBondContact O-N 2.9Å; H92-G123 VanDerWaalsContact O-N 3.08Å; H92-H151 AromaticContact CE1-CD2 3.55Å; H92-H151 AromaticContact CE1-NE2 3.78Å; H92-Y311 HydrophobicContact CB-CE2 3.91Å; H92-Y311 AromaticContact CD2-CE2 3.35Å; H92-Y311 WeakPolarHBondContact CD2-CE2 3.33Å; H92-Y311 AromaticContact CD2-CZ 3.59Å; H92-Y311 PolarHBondContact CD2-OH 3.03Å; H92-Y311 AromaticContact CG-CE2 3.85Å; H92-Y311 PolarHBondContact NE2-OH 3.15Å
93G98.4Very high94.1Very high0 Ų027.4 Ų27.40%015%0.145CC..THydrogen-bonded Turntrans62.515.417800000115.9I91 F95 Y119 F125I91-G93 VanDerWaalsContact C-N 3.33Å; I91-G93 PolarHBondContact O-N 2.93Å; I91-G93 VanDerWaalsContact O-N 3.11Å; G93-F95 VanDerWaalsContact C-N 3.26Å; G93-F95 PolarHBondContact O-N 3.34Å; G93-Y119 PolarHBondContact N-O 3.07Å; G93-F125 CarbonylContact O-C 3.27Å; G93-F125 VanDerWaalsContact O-CA 3.31Å; G93-F125 WeakPolarHBondContact O-CA 3.44Å; G93-F125 VanDerWaalsContact O-CB 3.29Å; G93-F125 WeakPolarHBondContact O-CB 3.19Å; G93-F125 PolarHBondContact O-N 3.49Å; G93-F125 VanDerWaalsContact O-N 3.09Å
94Q98Very high94.3Very high28 Ų2828.6 Ų28.613%0.13115%0.147CC..  trans-82.765.4175.2-71.2-174.4-13600111.5I91 H92 F96 D97 L98 P309I91-Q94 WeakPolarHBondContact O-CB 3.48Å; I91-Q94 PolarHBondContact O-N 2.99Å; H92-Q94 PolarHBondContact O-N 3.14Å; H92-Q94 VanDerWaalsContact O-N 3.07Å; Q94-F96 VanDerWaalsContact C-N 3.26Å; Q94-F96 PolarHBondContact O-N 3.23Å; Q94-D97 HydrophobicContact CB-CB 4.16Å; Q94-D97 PolarHBondContact NE2-OD2 3.22Å; Q94-D97 PolarHBondContact O-N 3.1Å; Q94-D97 VanDerWaalsContact O-N 3.07Å; Q94-L98 PolarHBondContact O-N 3Å; Q94-P309 PolarHBondContact NE2-O 3.41Å
95F98.6Very high93.8Very high0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-56.6-34.4-174.2179-104000114.4L50 M51 G93 L98 M99 F125 E128 C129 Y132L50-F95 HydrophobicContact CB-CE1 3.63Å; L50-F95 HydrophobicContact CB-CE2 4.36Å; L50-F95 HydrophobicContact CB-CZ 3.53Å; L50-F95 HydrophobicContact CD1-CE2 4.09Å; L50-F95 HydrophobicContact CD1-CZ 3.99Å; L50-F95 HydrophobicContact CG-CZ 4.4Å; M51-F95 HydrophobicContact CG-CE1 3.98Å; G93-F95 VanDerWaalsContact C-N 3.26Å; G93-F95 PolarHBondContact O-N 3.34Å; F95-L98 HydrophobicContact CD2-CD2 4.44Å; F95-L98 WeakPolarHBondContact O-CB 3.5Å; F95-L98 PolarHBondContact O-N 2.93Å; F95-M99 HydrophobicContact CD2-CE 3.97Å; F95-M99 HydrophobicContact CE1-CE 4.34Å; F95-M99 HydrophobicContact CE1-CG 4.25Å; F95-M99 HydrophobicContact CE1-SD 4.34Å; F95-M99 HydrophobicContact CE2-CE 3.4Å; F95-M99 HydrophobicContact CE2-SD 4.27Å; F95-M99 HydrophobicContact CZ-CE 3.61Å; F95-M99 HydrophobicContact CZ-CG 4.32Å; F95-M99 HydrophobicContact CZ-SD 3.84Å; F95-M99 WeakPolarHBondContact O-CG 3.4Å; F95-M99 PolarHBondContact O-N 2.91Å; F95-M99 VanDerWaalsContact O-N 3.14Å; F95-F125 HydrophobicContact CB-CB 3.49Å; F95-F125 VanDerWaalsContact CB-CB 3.49Å; F95-F125 HydrophobicContact CB-CG 4.39Å; F95-E128 HydrophobicContact CB-CB 4.1Å; F95-E128 HydrophobicContact CD1-CB 4.11Å; F95-E128 VanDerWaalsContact CD2-C 3.49Å; F95-E128 HydrophobicContact CD2-CB 3.67Å; F95-E128 HydrophobicContact CE2-CB 4.12Å; F95-E128 HydrophobicContact CG-CB 3.66Å; F95-C129 VanDerWaalsContact CA-SG 3.51Å; F95-Y132 HydrophobicContact CE2-CD1 4.37Å; F95-Y132 HydrophobicContact CE2-CG 4.02Å
96F97.2Very high93.8Very high88 Ų8825.5 Ų25.539%0.38614%0.135SC..Hα-helixtrans-70.1-37.2178.8-66.1-88.4000111.8Q94 M99 K100 F125Q94-F96 VanDerWaalsContact C-N 3.26Å; Q94-F96 PolarHBondContact O-N 3.23Å; F96-M99 WeakPolarHBondContact O-CB 3.43Å; F96-M99 PolarHBondContact O-N 2.81Å; F96-K100 PolarHBondContact O-N 3.04Å; F96-F125 HydrophobicContact CD2-CD2 4.12Å; F96-F125 HydrophobicContact CD2-CE2 4.19Å; F96-F125 HydrophobicContact CE2-CD1 4.1Å; F96-F125 AromaticContact CE2-CD2 3.92Å; F96-F125 HydrophobicContact CE2-CD2 3.92Å; F96-F125 AromaticContact CE2-CE1 3.97Å; F96-F125 HydrophobicContact CE2-CE1 3.97Å; F96-F125 AromaticContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CG 4.08Å; F96-F125 AromaticContact CE2-CZ 3.81Å; F96-F125 HydrophobicContact CE2-CZ 3.81Å
97D95.3Very high94Very high55 Ų5528 Ų2829%0.29415%0.152SC..Hα-helixtrans-74.2-31.9173.9-57.9-62.8000111.9Q94 M99 K100 L101 P309Q94-D97 HydrophobicContact CB-CB 4.16Å; Q94-D97 PolarHBondContact NE2-OD2 3.22Å; Q94-D97 PolarHBondContact O-N 3.1Å; Q94-D97 VanDerWaalsContact O-N 3.07Å; D97-M99 PolarHBondContact O-N 3.39Å; D97-K100 CarbonylContact O-C 3.58Å; D97-K100 WeakPolarHBondContact O-CA 3.46Å; D97-K100 WeakPolarHBondContact O-CB 3.26Å; D97-K100 PolarHBondContact O-N 2.88Å; D97-L101 PolarHBondContact O-N 3.34Å; D97-P309 HydrophobicContact CB-CG 3.67Å; D97-P309 VanDerWaalsContact CG-CG 3.42Å; D97-P309 WeakPolarHBondContact OD1-CG 3.31Å
98L96.4Very high94.1Very high2 Ų228.4 Ų28.41%0.0116%0.155CC..Hα-helixtrans-58.8-34.6168.1-178.463.4000111.7I91 Q94 F95 K100 L101 F102 F115 C129 L133I91-L98 HydrophobicContact CD1-CD1 4.22Å; I91-L98 HydrophobicContact CG2-CB 4.19Å; I91-L98 HydrophobicContact CG2-CD1 4.39Å; I91-L98 HydrophobicContact CG2-CD2 4.48Å; Q94-L98 PolarHBondContact O-N 3Å; F95-L98 HydrophobicContact CD2-CD2 4.44Å; F95-L98 WeakPolarHBondContact O-CB 3.5Å; F95-L98 PolarHBondContact O-N 2.93Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-L101 HydrophobicContact CD1-CD1 4.41Å; L98-L101 HydrophobicContact CD1-CD2 4.34Å; L98-L101 PolarHBondContact O-N 2.99Å; L98-F102 HydrophobicContact CD1-CD2 4.34Å; L98-F102 HydrophobicContact CD1-CE2 3.69Å; L98-F102 HydrophobicContact CD1-CZ 4.13Å; L98-F102 HydrophobicContact CD2-CE2 4.41Å; L98-F102 HydrophobicContact CG-CD2 4.3Å; L98-F102 HydrophobicContact CG-CE2 3.81Å; L98-F102 WeakPolarHBondContact O-CD2 3.44Å; L98-F102 PolarHBondContact O-N 3.09Å; L98-F115 HydrophobicContact CD1-CE1 3.81Å; L98-F115 HydrophobicContact CD1-CZ 4.12Å; L98-C129 HydrophobicContact CD2-CB 4.29Å; L98-L133 HydrophobicContact CD1-CD2 4.35Å; L98-L133 HydrophobicContact CD2-CD1 4.19Å; L98-L133 HydrophobicContact CD2-CD2 4.25Å; L98-L133 HydrophobicContact CD2-CG 4.01Å
99M96.2Very high94.2Very high5 Ų531.4 Ų31.43%0.02518%0.18CC..Hα-helixtrans-67.1-36.3172.1-61.6-53.594.500112K47 M51 F95 F96 D97 F102 E103 Y132K47-M99 HydrophobicContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CD-SD 3.54Å; K47-M99 VanDerWaalsContact CE-SD 3.5Å; K47-M99 HydrophobicContact CG-SD 3.67Å; M51-M99 HydrophobicContact CG-CG 4.03Å; M51-M99 HydrophobicContact SD-CG 4.12Å; F95-M99 HydrophobicContact CD2-CE 3.97Å; F95-M99 HydrophobicContact CE1-CE 4.34Å; F95-M99 HydrophobicContact CE1-CG 4.25Å; F95-M99 HydrophobicContact CE1-SD 4.34Å; F95-M99 HydrophobicContact CE2-CE 3.4Å; F95-M99 HydrophobicContact CE2-SD 4.27Å; F95-M99 HydrophobicContact CZ-CE 3.61Å; F95-M99 HydrophobicContact CZ-CG 4.32Å; F95-M99 HydrophobicContact CZ-SD 3.84Å; F95-M99 WeakPolarHBondContact O-CG 3.4Å; F95-M99 PolarHBondContact O-N 2.91Å; F95-M99 VanDerWaalsContact O-N 3.14Å; F96-M99 WeakPolarHBondContact O-CB 3.43Å; F96-M99 PolarHBondContact O-N 2.81Å; D97-M99 PolarHBondContact O-N 3.39Å; M99-F102 HydrophobicContact CE-CD2 4.39Å; M99-E103 WeakPolarHBondContact O-CG 3.48Å; M99-E103 PolarHBondContact O-N 2.71Å; M99-Y132 HydrophobicContact CE-CD1 3.64Å; M99-Y132 HydrophobicContact CE-CE1 3.66Å; M99-Y132 HydrophobicContact CE-CG 4.34Å; M99-Y132 HydrophobicContact SD-CE1 4.23Å
100K90.8Very high94.1Very high88 Ų8837.9 Ų37.938%0.38321%0.214SC..Hα-helixtrans-69.2-37.8176-16866.4-120.6168.20112F96 D97 L98 F102 E103 V104F96-K100 PolarHBondContact O-N 3.04Å; D97-K100 CarbonylContact O-C 3.58Å; D97-K100 WeakPolarHBondContact O-CA 3.46Å; D97-K100 WeakPolarHBondContact O-CB 3.26Å; D97-K100 PolarHBondContact O-N 2.88Å; L98-K100 VanDerWaalsContact C-N 3.34Å; K100-F102 VanDerWaalsContact C-N 3.35Å; K100-F102 PolarHBondContact O-N 3.32Å; K100-E103 IonicContact NZ-OE2 2.72Å; K100-E103 PolarHBondContact NZ-OE2 2.81Å; K100-E103 WeakPolarHBondContact O-CA 3.44Å; K100-E103 WeakPolarHBondContact O-CB 3.45Å; K100-E103 PolarHBondContact O-N 2.88Å; K100-V104 WeakPolarHBondContact O-CG2 3.43Å; K100-V104 PolarHBondContact O-N 3.18Å
101L91.4Very high93.9Very high10 Ų1039.2 Ų39.25%0.05222%0.222CC..Hα-helixtrans-58.2-43.1174.8177.9158.5000111.9C88 I91 D97 L98 E103 V104 G105 Y113 F115 L323C88-L101 HydrophobicContact CB-CD1 4.15Å; I91-L101 HydrophobicContact CD1-CD1 3.75Å; D97-L101 PolarHBondContact O-N 3.34Å; L98-L101 HydrophobicContact CD1-CD1 4.41Å; L98-L101 HydrophobicContact CD1-CD2 4.34Å; L98-L101 PolarHBondContact O-N 2.99Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.31Å; L101-V104 PolarHBondContact O-N 2.89Å; L101-G105 PolarHBondContact O-N 3.12Å; L101-Y113 HydrophobicContact CD2-CE1 3.68Å; L101-Y113 PolarHBondContact O-OH 3.44Å; L101-F115 HydrophobicContact CD1-CE1 4.11Å; L101-F115 HydrophobicContact CD2-CE1 4Å; L101-F115 HydrophobicContact CD2-CZ 3.87Å; L101-L323 HydrophobicContact CG-CD1 4.3Å; L101-L323 HydrophobicContact CG-CD2 4.24Å
102F91.8Very high93.8Very high14 Ų1441.5 Ų41.56%0.06123%0.231CC..Hα-helixtrans-71.6-21.7173.4-68.3-56.7000113.8L98 M99 K100 G106 P108 Y113 F115 Y132 L133 L136 L144L98-F102 HydrophobicContact CD1-CD2 4.34Å; L98-F102 HydrophobicContact CD1-CE2 3.69Å; L98-F102 HydrophobicContact CD1-CZ 4.13Å; L98-F102 HydrophobicContact CD2-CE2 4.41Å; L98-F102 HydrophobicContact CG-CD2 4.3Å; L98-F102 HydrophobicContact CG-CE2 3.81Å; L98-F102 WeakPolarHBondContact O-CD2 3.44Å; L98-F102 PolarHBondContact O-N 3.09Å; M99-F102 HydrophobicContact CE-CD2 4.39Å; K100-F102 VanDerWaalsContact C-N 3.35Å; K100-F102 PolarHBondContact O-N 3.32Å; F102-G106 CarbonylContact O-C 3.58Å; F102-G106 VanDerWaalsContact O-C 3.27Å; F102-G106 PolarHBondContact O-N 3.19Å; F102-P108 HydrophobicContact CD1-CG 3.48Å; F102-P108 VanDerWaalsContact CD1-CG 3.48Å; F102-P108 HydrophobicContact CE1-CG 3.46Å; F102-P108 VanDerWaalsContact CE1-CG 3.46Å; F102-P108 HydrophobicContact CG-CG 4.29Å; F102-P108 HydrophobicContact CZ-CG 4.23Å; F102-Y113 HydrophobicContact CD1-CD2 4.43Å; F102-Y113 HydrophobicContact CD1-CE1 4.13Å; F102-Y113 AromaticContact CD1-CE2 3.75Å; F102-Y113 HydrophobicContact CD1-CE2 3.75Å; F102-Y113 AromaticContact CD1-CZ 3.58Å; F102-Y113 HydrophobicContact CE1-CD1 4.26Å; F102-Y113 HydrophobicContact CE1-CD2 4.14Å; F102-Y113 HydrophobicContact CE1-CE1 4.04Å; F102-Y113 AromaticContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CG 4.3Å; F102-Y113 AromaticContact CE1-CZ 3.86Å; F102-F115 HydrophobicContact CE1-CE2 4.25Å; F102-F115 AromaticContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CZ-CE2 4.16Å; F102-F115 AromaticContact CZ-CZ 3.65Å; F102-F115 HydrophobicContact CZ-CZ 3.65Å; F102-Y132 HydrophobicContact CD2-CE1 4.04Å; F102-Y132 HydrophobicContact CE2-CD1 4.12Å; F102-Y132 AromaticContact CE2-CE1 3.79Å; F102-Y132 HydrophobicContact CE2-CE1 3.79Å; F102-L133 HydrophobicContact CE2-CD2 4.39Å; F102-L133 HydrophobicContact CZ-CD2 3.94Å; F102-L136 HydrophobicContact CE1-CD1 4.22Å; F102-L136 HydrophobicContact CE2-CD1 3.75Å; F102-L136 HydrophobicContact CZ-CD1 3.5Å; F102-L144 HydrophobicContact CE1-CD1 4.47Å
103E88.3Confident93.7Very high115 Ų11541.2 Ų41.254%0.53723%0.23SC..Hα-helixtrans-78.2-28.3171.9-72.9171.3-164.200112.8K47 M99 K100 L101K47-E103 IonicContact NZ-OE1 3.92Å; M99-E103 WeakPolarHBondContact O-CG 3.48Å; M99-E103 PolarHBondContact O-N 2.71Å; K100-E103 IonicContact NZ-OE2 2.72Å; K100-E103 PolarHBondContact NZ-OE2 2.81Å; K100-E103 WeakPolarHBondContact O-CA 3.44Å; K100-E103 WeakPolarHBondContact O-CB 3.45Å; K100-E103 PolarHBondContact O-N 2.88Å; L101-E103 VanDerWaalsContact C-N 3.31Å; L101-E103 PolarHBondContact O-N 3.31Å
104V84.6Confident93.7Very high73 Ų7341.2 Ų41.244%0.44223%0.23SC..Hα-helixtrans-89.7-42.6179.5-179.40000111.9K100 L101 L323K100-V104 WeakPolarHBondContact O-CG2 3.43Å; K100-V104 PolarHBondContact O-N 3.18Å; L101-V104 PolarHBondContact O-N 2.89Å; V104-L323 HydrophobicContact CB-CD1 3.83Å; V104-L323 HydrophobicContact CG1-CD1 3.87Å
105G81.8Confident93.8Very high16 Ų1639.9 Ų39.917%0.16522%0.224CC..Hα-helixtrans-82.4-13.6178.800000115L101 T111 Y113L101-G105 PolarHBondContact O-N 3.12Å; G105-T111 WeakPolarHBondContact O-CG2 3.1Å; G105-T111 PolarHBondContact O-OG1 2.87Å; G105-T111 VanDerWaalsContact O-OG1 3.07Å; G105-Y113 VanDerWaalsContact CA-OH 3.32Å; G105-Y113 WeakPolarHBondContact CA-OH 3.38Å
106G88.7Confident93.8Very high24 Ų2439.9 Ų39.925%0.24722%0.224CC..  trans98.5171.2-178.400000113.8F102 Y113F102-G106 CarbonylContact O-C 3.58Å; F102-G106 VanDerWaalsContact O-C 3.27Å; F102-G106 PolarHBondContact O-N 3.19Å; G106-Y113 WeakPolarHBondContact O-CE2 3.34Å; G106-Y113 PolarHBondContact O-OH 3.08Å; G106-Y113 VanDerWaalsContact O-OH 3.08Å
107S94.7Very high93.8Very high59 Ų5935.7 Ų35.741%0.41321%0.205SC..  trans-73.1135.2-173.2-179.40000111.3A109 N110 T111S107-A109 PolarHBondContact O-N 2.75Å; S107-A109 WeakPolarHBondContact OG-CB 3.23Å; S107-A109 PolarHBondContact OG-N 3.45Å; S107-N110 WeakPolarHBondContact CB-OD1 3.48Å; S107-N110 PolarHBondContact O-N 3.2Å; S107-N110 PolarHBondContact O-OD1 3.33Å; S107-T111 WeakPolarHBondContact O-CB 3.5Å; S107-T111 PolarHBondContact O-N 3.23Å
108P96.7Very high94Very high9 Ų933.2 Ų33.26%0.05819%0.192CC..THydrogen-bonded Turntrans-55.9-13.7169.4-28.937.7000115F102 N110 Y113 L136 Y140 L144F102-P108 HydrophobicContact CD1-CG 3.48Å; F102-P108 VanDerWaalsContact CD1-CG 3.48Å; F102-P108 HydrophobicContact CE1-CG 3.46Å; F102-P108 VanDerWaalsContact CE1-CG 3.46Å; F102-P108 HydrophobicContact CG-CG 4.29Å; F102-P108 HydrophobicContact CZ-CG 4.23Å; P108-N110 VanDerWaalsContact C-N 3.29Å; P108-Y113 HydrophobicContact CG-CD2 4.21Å; P108-Y113 HydrophobicContact CG-CE2 4.13Å; P108-L136 HydrophobicContact CB-CD2 3.99Å; P108-L136 HydrophobicContact CG-CD1 4.14Å; P108-L136 HydrophobicContact CG-CD2 4.07Å; P108-Y140 HydrophobicContact CB-CD2 3.73Å; P108-Y140 HydrophobicContact CB-CE2 3.79Å; P108-L144 HydrophobicContact CB-CD1 4.36Å; P108-L144 HydrophobicContact CG-CD1 4.49Å
109A97.6Very high94.1Very high62 Ų6233.1 Ų33.151%0.51219%0.191SC..THydrogen-bonded Turntrans-68.6-22.2171.200000114.2S107 Y140S107-A109 PolarHBondContact O-N 2.75Å; S107-A109 WeakPolarHBondContact OG-CB 3.23Å; S107-A109 PolarHBondContact OG-N 3.45Å; A109-Y140 HydrophobicContact CB-CE1 4.35Å; A109-Y140 WeakPolarHBondContact CB-OH 3.48Å
110N95.5Very high94.2Very high136 Ų13632.9 Ų32.973%0.72719%0.19SC*.THydrogen-bonded Turntrans-139.7-14.5-179.559.2-1.3000115.3S107 P108S107-N110 WeakPolarHBondContact CB-OD1 3.48Å; S107-N110 PolarHBondContact O-N 3.2Å; S107-N110 PolarHBondContact O-OD1 3.33Å; P108-N110 VanDerWaalsContact C-N 3.29Å
111T92.9Very high94.6Very high30 Ų3028.7 Ų28.718%0.18417%0.172CC..SBendtrans-96.4135.7170.8-64.80000110.9T86 G105 S107 Y113T86-T111 VanDerWaalsContact OG1-CG2 3.26Å; T86-T111 WeakPolarHBondContact OG1-CG2 3.36Å; G105-T111 WeakPolarHBondContact O-CG2 3.1Å; G105-T111 PolarHBondContact O-OG1 2.87Å; G105-T111 VanDerWaalsContact O-OG1 3.07Å; S107-T111 WeakPolarHBondContact O-CB 3.5Å; S107-T111 PolarHBondContact O-N 3.23Å; T111-Y113 HydrophobicContact CG2-CD2 3.76Å; T111-Y113 HydrophobicContact CG2-CE2 3.48Å; T111-Y113 VanDerWaalsContact CG2-CE2 3.48Å
112R96.1Very high94.7Very high52 Ų5229.6 Ų29.620%0.19618%0.175CC..  trans-81.2136.7167-74.7166.360.779.4-10.6110D82 P84 V85 T86 K142 T143D82-R112 PolarHBondContact O-NE 3.26Å; D82-R112 PolarHBondContact O-NH2 3.44Å; P84-R112 WeakPolarHBondContact O-CB 3.32Å; P84-R112 VanDerWaalsContact O-CD 3.3Å; P84-R112 WeakPolarHBondContact O-CD 3.4Å; P84-R112 PolarHBondContact O-NE 3.06Å; V85-R112 WeakPolarHBondContact CA-O 3.35Å; V85-R112 HydrophobicContact CB-CB 4.2Å; V85-R112 HydrophobicContact CG2-CB 4.22Å; T86-R112 PolarHBondContact N-O 3.1Å; R112-K142 PolarHBondContact NH1-O 3.05Å; R112-K142 VanDerWaalsContact NH1-O 3.1Å; R112-T143 CarbonylContact C-O 3.48Å; R112-T143 VanDerWaalsContact CA-O 3.23Å; R112-T143 WeakPolarHBondContact CA-O 3.27Å; R112-T143 HydrophobicContact CG-CG2 3.92Å
113Y97.6Very high94.9Very high0 Ų029.8 Ų29.80%018%0.18CC..EExtended strand (participates in β ladder)trans-126.6138.8-175.1-91.4-82.2000112.5T86 L101 F102 G105 G106 P108 T111 F115 T143 L144 F145T86-Y113 HydrophobicContact CG2-CD1 4.09Å; T86-Y113 HydrophobicContact CG2-CE1 3.59Å; T86-Y113 WeakPolarHBondContact O-CA 3.24Å; L101-Y113 HydrophobicContact CD2-CE1 3.68Å; L101-Y113 PolarHBondContact O-OH 3.44Å; F102-Y113 HydrophobicContact CD1-CD2 4.43Å; F102-Y113 HydrophobicContact CD1-CE1 4.13Å; F102-Y113 AromaticContact CD1-CE2 3.75Å; F102-Y113 HydrophobicContact CD1-CE2 3.75Å; F102-Y113 AromaticContact CD1-CZ 3.58Å; F102-Y113 HydrophobicContact CE1-CD1 4.26Å; F102-Y113 HydrophobicContact CE1-CD2 4.14Å; F102-Y113 HydrophobicContact CE1-CE1 4.04Å; F102-Y113 AromaticContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CE2 3.9Å; F102-Y113 HydrophobicContact CE1-CG 4.3Å; F102-Y113 AromaticContact CE1-CZ 3.86Å; G105-Y113 VanDerWaalsContact CA-OH 3.32Å; G105-Y113 WeakPolarHBondContact CA-OH 3.38Å; G106-Y113 WeakPolarHBondContact O-CE2 3.34Å; G106-Y113 PolarHBondContact O-OH 3.08Å; G106-Y113 VanDerWaalsContact O-OH 3.08Å; P108-Y113 HydrophobicContact CG-CD2 4.21Å; P108-Y113 HydrophobicContact CG-CE2 4.13Å; T111-Y113 HydrophobicContact CG2-CD2 3.76Å; T111-Y113 HydrophobicContact CG2-CE2 3.48Å; T111-Y113 VanDerWaalsContact CG2-CE2 3.48Å; Y113-F115 AromaticContact CD1-CE2 3.78Å; Y113-F115 HydrophobicContact CD1-CE2 3.78Å; Y113-F115 AromaticContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CE1-CZ 4.39Å; Y113-F115 HydrophobicContact CG-CE2 4.11Å; Y113-T143 PolarHBondContact N-O 2.68Å; Y113-L144 HydrophobicContact CG-CD1 4.47Å; Y113-F145 WeakPolarHBondContact O-CD2 3.38Å; Y113-F145 PolarHBondContact O-N 2.79Å
114L98.2Very high95.4Very high0 Ų032.3 Ų32.30%019%0.186CC..EExtended strand (participates in β ladder)trans-128.8115.5168.7172.861.5000109I81 V85 T86 V87 C88 L116 F145 L147 A189 C197I81-L114 HydrophobicContact CD1-CB 4.44Å; I81-L114 HydrophobicContact CD1-CD1 3.76Å; I81-L114 HydrophobicContact CD1-CD2 4.13Å; I81-L114 HydrophobicContact CD1-CG 4.33Å; V85-L114 HydrophobicContact CG2-CB 3.89Å; T86-L114 PolarHBondContact O-N 2.92Å; V87-L114 CarbonylContact C-O 3.55Å; V87-L114 WeakPolarHBondContact CA-O 3.35Å; V87-L114 HydrophobicContact CG1-CD2 4.49Å; V87-L114 HydrophobicContact CG2-CD2 4.42Å; C88-L114 PolarHBondContact N-O 3.04Å; L114-L116 HydrophobicContact CD2-CD2 4.21Å; L114-L116 HydrophobicContact CG-CD2 4.16Å; L114-F145 HydrophobicContact CD1-CB 3.92Å; L114-L147 HydrophobicContact CD1-CD1 4.24Å; L114-L147 HydrophobicContact CD1-CD2 4.21Å; L114-L147 HydrophobicContact CD1-CG 3.87Å; L114-A189 HydrophobicContact CD1-CB 4.2Å; L114-A189 HydrophobicContact CD2-CB 4Å; L114-C197 HydrophobicContact CD2-CB 3.74Å
115F98.5Very high96.1Very high0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans-98.6137170.2-64.6-101.1000110.1C88 I91 L98 L101 F102 Y113 Y119 L133 L144 F145 L146 L147C88-F115 HydrophobicContact CB-CD1 3.51Å; C88-F115 HydrophobicContact CB-CE1 3.7Å; C88-F115 HydrophobicContact CB-CG 4.07Å; C88-F115 HydrophobicContact CB-CZ 4.41Å; C88-F115 WeakPolarHBondContact O-CA 3.44Å; I91-F115 HydrophobicContact CD1-CD1 4.19Å; I91-F115 HydrophobicContact CD1-CE1 4.1Å; I91-F115 HydrophobicContact CG1-CD1 4.16Å; I91-F115 HydrophobicContact CG1-CE1 4.39Å; L98-F115 HydrophobicContact CD1-CE1 3.81Å; L98-F115 HydrophobicContact CD1-CZ 4.12Å; L101-F115 HydrophobicContact CD1-CE1 4.11Å; L101-F115 HydrophobicContact CD2-CE1 4Å; L101-F115 HydrophobicContact CD2-CZ 3.87Å; F102-F115 HydrophobicContact CE1-CE2 4.25Å; F102-F115 AromaticContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CE1-CZ 3.85Å; F102-F115 HydrophobicContact CZ-CE2 4.16Å; F102-F115 AromaticContact CZ-CZ 3.65Å; F102-F115 HydrophobicContact CZ-CZ 3.65Å; Y113-F115 AromaticContact CD1-CE2 3.78Å; Y113-F115 HydrophobicContact CD1-CE2 3.78Å; Y113-F115 AromaticContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CD1-CZ 3.96Å; Y113-F115 HydrophobicContact CE1-CZ 4.39Å; Y113-F115 HydrophobicContact CG-CE2 4.11Å; F115-Y119 HydrophobicContact CB-CE1 3.66Å; F115-Y119 HydrophobicContact CD1-CE1 4.45Å; F115-Y119 HydrophobicContact CG-CE1 4.23Å; F115-L133 HydrophobicContact CD2-CD2 4.43Å; F115-L133 HydrophobicContact CE1-CD2 4.35Å; F115-L133 HydrophobicContact CE2-CD2 3.96Å; F115-L133 HydrophobicContact CZ-CD2 3.93Å; F115-L144 HydrophobicContact CE2-CD1 4.13Å; F115-F145 PolarHBondContact N-O 2.92Å; F115-L146 HydrophobicContact CB-CD2 4Å; F115-L146 HydrophobicContact CD2-CD2 3.79Å; F115-L146 HydrophobicContact CG-CD2 4.09Å; F115-L147 PolarHBondContact O-N 2.95Å
116L98.7Very high96.9Very high0 Ų030.5 Ų30.50%017%0.168CC..  trans-88.9-25.2-172.3-60.7179.9000114.2V87 C88 L114 L147 C197 A280V87-L116 HydrophobicContact CG1-CD1 3.88Å; V87-L116 HydrophobicContact CG1-CD2 4.05Å; V87-L116 HydrophobicContact CG1-CG 3.97Å; C88-L116 WeakPolarHBondContact O-CG 3.47Å; C88-L116 PolarHBondContact O-N 3.38Å; L114-L116 HydrophobicContact CD2-CD2 4.21Å; L114-L116 HydrophobicContact CG-CD2 4.16Å; L116-L147 HydrophobicContact CD2-CD1 3.83Å; L116-L147 WeakPolarHBondContact O-CB 3.43Å; L116-C197 HydrophobicContact CD2-CB 3.83Å; L116-A280 HydrophobicContact CB-CB 3.98Å; L116-A280 HydrophobicContact CD1-CB 4.07Å
117G98.7Very high97.4Very high0 Ų029.4 Ų29.40%016%0.156CC..SBendtrans157.7-169175.800000113.9
118D98.8Very high97.6Very high2 Ų226.7 Ų26.71%0.01114%0.137CC..  trans50.263.8171.4-70.40.2000113.2D90 I91 H92 V120 G149 N150 H151 E152 H199D90-D118 HydrophobicContact CB-CB 4.09Å; I91-D118 PolarHBondContact N-O 2.85Å; H92-D118 IonicContact CE1-OD2 2.81Å; H92-D118 PolarHBondContact N-O 3.12Å; H92-D118 IonicContact NE2-OD2 3.36Å; D118-V120 VanDerWaalsContact C-N 3.33Å; D118-G149 WeakPolarHBondContact OD1-CA 3.38Å; D118-N150 PolarHBondContact OD1-N 2.79Å; D118-N150 PolarHBondContact OD1-OD1 3.27Å; D118-N150 PolarHBondContact OD2-OD1 3.4Å; D118-H151 HydrophobicContact CB-CB 4.42Å; D118-H151 WeakPolarHBondContact OD1-CB 3.48Å; D118-H151 IonicContact OD1-CD2 3.53Å; D118-H151 PolarHBondContact OD1-N 2.72Å; D118-H151 IonicContact OD2-CD2 3.74Å; D118-H151 PolarHBondContact OD2-CD2 2.63Å; D118-E152 WeakPolarHBondContact CA-OE1 3.41Å; D118-E152 PolarHBondContact N-OE2 3.42Å; D118-H199 IonicContact OD1-CE1 2.66Å; D118-H199 IonicContact OD1-NE2 3.71Å; D118-H199 PolarHBondContact OD1-NE2 3.44Å; D118-H199 IonicContact OD2-CE1 2.8Å; D118-H199 PolarHBondContact OD2-CE1 2.98Å; D118-H199 IonicContact OD2-NE2 2.78Å; D118-H199 PolarHBondContact OD2-NE2 3.4Å
119Y98.9Very high97.7Very high0 Ų026.3 Ų26.30%013%0.134CC..  trans-77-22.7175-48.3-67.8000112.7G93 F115 L133 W134 L146 L147 E152 L185G93-Y119 PolarHBondContact N-O 3.07Å; F115-Y119 HydrophobicContact CB-CE1 3.66Å; F115-Y119 HydrophobicContact CD1-CE1 4.45Å; F115-Y119 HydrophobicContact CG-CE1 4.23Å; Y119-L133 HydrophobicContact CD1-CD1 3.37Å; Y119-L133 HydrophobicContact CE1-CD1 3.85Å; Y119-L133 HydrophobicContact CG-CD1 4.16Å; Y119-W134 HydrophobicContact CD2-CH2 4.5Å; Y119-W134 HydrophobicContact CD2-CZ3 4.36Å; Y119-L146 HydrophobicContact CE1-CD2 3.93Å; Y119-L146 WeakPolarHBondContact OH-CA 3.36Å; Y119-L146 WeakPolarHBondContact OH-CB 3.34Å; Y119-L147 VanDerWaalsContact CE2-O 3.3Å; Y119-L147 WeakPolarHBondContact CE2-O 3.32Å; Y119-L147 PolarHBondContact OH-N 2.78Å; Y119-L147 PolarHBondContact OH-O 2.77Å; Y119-E152 HydrophobicContact CD2-CG 3.78Å; Y119-E152 VanDerWaalsContact CD2-OE1 3.31Å; Y119-E152 WeakPolarHBondContact CD2-OE1 3.39Å; Y119-E152 HydrophobicContact CE2-CG 4.16Å; Y119-E152 PolarHBondContact N-OE1 3Å; Y119-L185 HydrophobicContact CE2-CD1 4.28Å
120V98.8Very high97.7Very high0 Ų023.3 Ų23.30%011%0.11CC..SBendtrans-124.2177.2-165.7-57.70000113.6H92 D118 V130 H151 T157 F162 F182H92-V120 PolarHBondContact ND1-O 3.18Å; D118-V120 VanDerWaalsContact C-N 3.33Å; V120-V130 HydrophobicContact CG1-CG2 3.44Å; V120-V130 VanDerWaalsContact CG1-CG2 3.44Å; V120-H151 HydrophobicContact CG2-CB 4.15Å; V120-H151 WeakPolarHBondContact CG2-O 3.46Å; V120-T157 HydrophobicContact CG2-CG2 3.73Å; V120-F162 HydrophobicContact CB-CB 4.21Å; V120-F162 HydrophobicContact CB-CD1 4.16Å; V120-F162 HydrophobicContact CB-CD2 4.16Å; V120-F162 HydrophobicContact CB-CG 3.93Å; V120-F162 HydrophobicContact CG1-CD1 4.14Å; V120-F162 HydrophobicContact CG1-CD2 4.05Å; V120-F162 HydrophobicContact CG1-CE1 4.02Å; V120-F162 HydrophobicContact CG1-CE2 3.92Å; V120-F162 HydrophobicContact CG1-CG 4.13Å; V120-F162 HydrophobicContact CG1-CZ 3.89Å; V120-F162 HydrophobicContact CG2-CD1 4.23Å; V120-F162 HydrophobicContact CG2-CG 4.38Å; V120-F182 HydrophobicContact CG1-CE2 4.27Å; V120-F182 HydrophobicContact CG1-CZ 3.78Å; V120-F182 HydrophobicContact CG2-CE2 4.16Å; V120-F182 HydrophobicContact CG2-CZ 4.45Å
121D97.5Very high97.9Very high0 Ų016.9 Ų16.90%08%0.075CC..SBendtrans60.4174.3-174.6-72.1-37.9000113.7H92 G123 S126 H151 T157 F160 T161 F162H92-D121 CarbonylContact C-O 3.51Å; H92-D121 WeakPolarHBondContact CA-O 3.37Å; D121-G123 PolarHBondContact O-N 3Å; D121-S126 PolarHBondContact N-OG 3.3Å; D121-S126 VanDerWaalsContact N-OG 3.11Å; D121-H151 VanDerWaalsContact CB-ND1 3.34Å; D121-H151 WeakPolarHBondContact CB-ND1 3.4Å; D121-H151 IonicContact OD2-CE1 3.32Å; D121-H151 IonicContact OD2-CG 3.62Å; D121-H151 IonicContact OD2-ND1 2.79Å; D121-H151 PolarHBondContact OD2-ND1 2.82Å; D121-T157 WeakPolarHBondContact OD2-CA 3.47Å; D121-T157 WeakPolarHBondContact OD2-CG2 3.34Å; D121-F160 HydrophobicContact CB-CB 3.88Å; D121-F160 HydrophobicContact CB-CG 4.41Å; D121-F160 VanDerWaalsContact CG-CB 3.42Å; D121-F160 WeakPolarHBondContact OD1-CB 3.38Å; D121-T161 PolarHBondContact OD1-N 3.48Å; D121-T161 VanDerWaalsContact OD1-N 3.09Å; D121-F162 VanDerWaalsContact OD1-CB 3.22Å; D121-F162 WeakPolarHBondContact OD1-CB 3.33Å; D121-F162 PolarHBondContact OD1-N 2.91Å
122R94.9Very high98.2Very high30 Ų3016.1 Ų16.111%0.1137%0.069CC..SBendtrans66.9-68.4179.5-46.9-64-152.699.1-6.1112.3H92 T161 Y311 L312 D425 N428H92-R122 HydrophobicContact CB-CB 4.18Å; H92-R122 HydrophobicContact CB-CG 4.49Å; R122-T161 PolarHBondContact N-OG1 2.89Å; R122-Y311 HydrophobicContact CB-CE2 4.24Å; R122-Y311 HydrophobicContact CG-CE2 4.43Å; R122-Y311 VanDerWaalsContact CZ-OH 3.26Å; R122-Y311 PolarHBondContact NH1-OH 3.21Å; R122-L312 HydrophobicContact CB-CD2 3.66Å; R122-L312 HydrophobicContact CG-CD2 4.32Å; R122-D425 IonicContact CZ-OD1 3.56Å; R122-D425 IonicContact CZ-OD2 2.69Å; R122-D425 IonicContact NH1-OD1 2.89Å; R122-D425 PolarHBondContact NH1-OD1 2.97Å; R122-D425 IonicContact NH1-OD2 2.92Å; R122-D425 PolarHBondContact NH1-OD2 3.47Å; R122-D425 IonicContact NH2-OD1 2.7Å; R122-D425 IonicContact NH2-OD2 3.95Å; R122-N428 VanDerWaalsContact NH2-C 3.34Å; R122-N428 PolarHBondContact NH2-O 3.09Å; R122-N428 VanDerWaalsContact NH2-O 3.07Å
123G95.8Very high98.3Very high17 Ų1713.7 Ų13.718%0.1756%0.06CC..SBendtrans-73.9167.8170.400000113.4H92 D121 S126H92-G123 WeakPolarHBondContact O-CA 3.33Å; H92-G123 PolarHBondContact O-N 2.9Å; H92-G123 VanDerWaalsContact O-N 3.08Å; D121-G123 PolarHBondContact O-N 3Å; G123-S126 PolarHBondContact O-OG 2.91Å
124Y98.1Very high98.4Very high169 Ų16913.7 Ų13.766%0.6636%0.06SC*.SBendtrans-106.711.4-169.7-58.4-21000114.8T161 K169Y124-T161 HydrophobicContact CE1-CG2 4.39Å; Y124-K169 PolarHBondContact O-NZ 2.96Å
125F98.7Very high98.4Very high51 Ų5113.7 Ų13.722%0.2246%0.06CC..  trans-124.436.1175.1-52.1-84.8000112.3E53 G93 F95 F96 I127 E128 C129E53-F125 HydrophobicContact CG-CE1 4.21Å; G93-F125 CarbonylContact O-C 3.27Å; G93-F125 VanDerWaalsContact O-CA 3.31Å; G93-F125 WeakPolarHBondContact O-CA 3.44Å; G93-F125 VanDerWaalsContact O-CB 3.29Å; G93-F125 WeakPolarHBondContact O-CB 3.19Å; G93-F125 PolarHBondContact O-N 3.49Å; G93-F125 VanDerWaalsContact O-N 3.09Å; F95-F125 HydrophobicContact CB-CB 3.49Å; F95-F125 VanDerWaalsContact CB-CB 3.49Å; F95-F125 HydrophobicContact CB-CG 4.39Å; F96-F125 HydrophobicContact CD2-CD2 4.12Å; F96-F125 HydrophobicContact CD2-CE2 4.19Å; F96-F125 HydrophobicContact CE2-CD1 4.1Å; F96-F125 AromaticContact CE2-CD2 3.92Å; F96-F125 HydrophobicContact CE2-CD2 3.92Å; F96-F125 AromaticContact CE2-CE1 3.97Å; F96-F125 HydrophobicContact CE2-CE1 3.97Å; F96-F125 AromaticContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CE2 3.78Å; F96-F125 HydrophobicContact CE2-CG 4.08Å; F96-F125 AromaticContact CE2-CZ 3.81Å; F96-F125 HydrophobicContact CE2-CZ 3.81Å; F125-I127 PolarHBondContact O-N 3.08Å; F125-E128 VanDerWaalsContact C-OE2 3.28Å; F125-E128 WeakPolarHBondContact CA-OE2 3.31Å; F125-E128 HydrophobicContact CB-CB 4.36Å; F125-E128 PolarHBondContact O-N 3.43Å; F125-C129 PolarHBondContact O-N 3.04Å; F125-C129 PolarHBondContact O-SG 2.75Å
126S98.9Very high98.4Very high0 Ų013.7 Ų13.70%06%0.06CC..Hα-helixtrans-61.4-40.9-179.7-58.90000112.5D121 G123 E128 C129 V130 E165D121-S126 PolarHBondContact N-OG 3.3Å; D121-S126 VanDerWaalsContact N-OG 3.11Å; G123-S126 PolarHBondContact O-OG 2.91Å; S126-E128 VanDerWaalsContact C-N 3.35Å; S126-C129 WeakPolarHBondContact O-CB 3.27Å; S126-C129 PolarHBondContact O-N 2.92Å; S126-V130 WeakPolarHBondContact O-CG2 3.2Å; S126-V130 PolarHBondContact O-N 3.06Å; S126-E165 WeakPolarHBondContact CB-OE2 3.3Å; S126-E165 PolarHBondContact N-OE1 3.1Å; S126-E165 PolarHBondContact N-OE2 2.84Å; S126-E165 PolarHBondContact OG-OE2 2.91Å
127I98.9Very high98.4Very high0 Ų013.7 Ų13.70%06%0.06CC..Hα-helixtrans-73-29.6179.9-163.457.3000111.9F125 L131 F162 E165 K169 Y170 V174F125-I127 PolarHBondContact O-N 3.08Å; I127-L131 HydrophobicContact CD1-CG 4.35Å; I127-L131 HydrophobicContact CG1-CD1 3.98Å; I127-L131 HydrophobicContact CG1-CG 4.23Å; I127-L131 VanDerWaalsContact O-CB 3.25Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CD1 3.22Å; I127-L131 WeakPolarHBondContact O-CG 3.33Å; I127-L131 PolarHBondContact O-N 3.14Å; I127-F162 HydrophobicContact CB-CE2 4.08Å; I127-F162 HydrophobicContact CD1-CE2 3.99Å; I127-F162 HydrophobicContact CD1-CZ 4.04Å; I127-E165 WeakPolarHBondContact CG2-OE1 3.21Å; I127-E165 PolarHBondContact N-OE1 3.45Å; I127-K169 HydrophobicContact CG2-CB 4.45Å; I127-K169 HydrophobicContact CG2-CD 3.53Å; I127-Y170 HydrophobicContact CG1-CD2 3.99Å; I127-Y170 HydrophobicContact CG1-CE2 3.91Å; I127-Y170 HydrophobicContact CG2-CD2 4.16Å; I127-Y170 HydrophobicContact CG2-CE2 3.74Å; I127-V174 HydrophobicContact CD1-CG1 3.94Å; I127-V174 HydrophobicContact CG1-CG1 4.44Å
128E98.9Very high98.4Very high3 Ų315 Ų151%0.0147%0.067CC..Hα-helixtrans-69.3-40.2172.5-65.881.5179.400111.2L50 F95 F125 S126 Y132 K169L50-E128 HydrophobicContact CB-CB 4.4Å; L50-E128 HydrophobicContact CB-CG 4.19Å; L50-E128 HydrophobicContact CD1-CB 4.09Å; L50-E128 HydrophobicContact CD1-CG 4.37Å; L50-E128 HydrophobicContact CD2-CG 4.05Å; L50-E128 HydrophobicContact CG-CG 4.41Å; F95-E128 HydrophobicContact CB-CB 4.1Å; F95-E128 HydrophobicContact CD1-CB 4.11Å; F95-E128 VanDerWaalsContact CD2-C 3.49Å; F95-E128 HydrophobicContact CD2-CB 3.67Å; F95-E128 HydrophobicContact CE2-CB 4.12Å; F95-E128 HydrophobicContact CG-CB 3.66Å; F125-E128 VanDerWaalsContact C-OE2 3.28Å; F125-E128 WeakPolarHBondContact CA-OE2 3.31Å; F125-E128 HydrophobicContact CB-CB 4.36Å; F125-E128 PolarHBondContact O-N 3.43Å; S126-E128 VanDerWaalsContact C-N 3.35Å; E128-Y132 VanDerWaalsContact O-CB 3.24Å; E128-Y132 WeakPolarHBondContact O-CB 3.37Å; E128-Y132 PolarHBondContact O-N 3.14Å; E128-K169 WeakPolarHBondContact OE1-CD 3.47Å; E128-K169 WeakPolarHBondContact OE1-CE 3.35Å; E128-K169 IonicContact OE1-NZ 3.67Å; E128-K169 PolarHBondContact OE1-NZ 3.09Å; E128-K169 IonicContact OE2-NZ 2.86Å; E128-K169 PolarHBondContact OE2-NZ 2.9Å
129C98.9Very high98.4Very high0 Ų017 Ų170%08%0.077CC..Hα-helixtrans-56.6-54169.4-730000111.7F95 L98 F125 S126 Y132 L133F95-C129 VanDerWaalsContact CA-SG 3.51Å; L98-C129 HydrophobicContact CD2-CB 4.29Å; F125-C129 PolarHBondContact O-N 3.04Å; F125-C129 PolarHBondContact O-SG 2.75Å; S126-C129 WeakPolarHBondContact O-CB 3.27Å; S126-C129 PolarHBondContact O-N 2.92Å; C129-Y132 PolarHBondContact O-N 2.82Å; C129-L133 WeakPolarHBondContact O-CB 3.32Å; C129-L133 WeakPolarHBondContact O-CG 3.19Å; C129-L133 PolarHBondContact O-N 3.42Å
130V98.9Very high98.4Very high0 Ų019.5 Ų19.50%09%0.087CC..Hα-helixtrans-60.2-50.6-179.7171.50000111.4V120 S126 Y132 L133 W134 F162 F182V120-V130 HydrophobicContact CG1-CG2 3.44Å; V120-V130 VanDerWaalsContact CG1-CG2 3.44Å; S126-V130 WeakPolarHBondContact O-CG2 3.2Å; S126-V130 PolarHBondContact O-N 3.06Å; V130-Y132 VanDerWaalsContact C-N 3.3Å; V130-Y132 PolarHBondContact O-N 3.46Å; V130-L133 PolarHBondContact O-N 2.9Å; V130-W134 HydrophobicContact CG1-CD2 4.15Å; V130-W134 HydrophobicContact CG1-CE3 3.92Å; V130-W134 HydrophobicContact CG1-CZ3 4.19Å; V130-W134 WeakPolarHBondContact O-CB 3.36Å; V130-W134 VanDerWaalsContact O-CE3 3.28Å; V130-W134 PolarHBondContact O-N 3.37Å; V130-F162 HydrophobicContact CG2-CZ 4.15Å; V130-F182 HydrophobicContact CG1-CE1 4.33Å; V130-F182 HydrophobicContact CG2-CE1 4.07Å; V130-F182 HydrophobicContact CG2-CZ 3.86Å
131L98.9Very high98.4Very high0 Ų021.5 Ų21.50%010%0.1CC..Hα-helixtrans-61.4-38.2-179.1-73170.4000112.2L56 A61 I64 I65 I127 A135 Y170L56-L131 HydrophobicContact CD1-CD1 3.98Å; L56-L131 HydrophobicContact CD1-CD2 4.25Å; L56-L131 HydrophobicContact CG-CD1 4.42Å; A61-L131 HydrophobicContact CB-CD1 4.46Å; A61-L131 HydrophobicContact CB-CD2 3.89Å; I64-L131 HydrophobicContact CB-CD2 4.21Å; I64-L131 HydrophobicContact CD1-CD2 4.33Å; I64-L131 HydrophobicContact CG2-CD2 4.2Å; I64-L131 WeakPolarHBondContact CG2-O 3.31Å; I65-L131 HydrophobicContact CD1-CD2 4.15Å; I65-L131 HydrophobicContact CG1-CD2 4.11Å; I127-L131 HydrophobicContact CD1-CG 4.35Å; I127-L131 HydrophobicContact CG1-CD1 3.98Å; I127-L131 HydrophobicContact CG1-CG 4.23Å; I127-L131 VanDerWaalsContact O-CB 3.25Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CD1 3.22Å; I127-L131 WeakPolarHBondContact O-CG 3.33Å; I127-L131 PolarHBondContact O-N 3.14Å; L131-A135 VanDerWaalsContact O-CB 3.25Å; L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 3.08Å; L131-A135 VanDerWaalsContact O-N 3.08Å; L131-Y170 HydrophobicContact CD1-CE2 4.11Å
132Y98.9Very high98.5Very high15 Ų1527.9 Ų27.96%0.05913%0.128CC..Hα-helixtrans-75.5-42.6179.6-167-107.6000112.7V43 L46 K47 F95 M99 F102 E128 C129 V130 A135 L136V43-Y132 HydrophobicContact CB-CE2 4.19Å; L46-Y132 HydrophobicContact CB-CD2 4.45Å; L46-Y132 HydrophobicContact CD2-CD2 3.96Å; L46-Y132 HydrophobicContact CG-CD2 4.07Å; K47-Y132 HydrophobicContact CB-CE2 3.74Å; F95-Y132 HydrophobicContact CE2-CD1 4.37Å; F95-Y132 HydrophobicContact CE2-CG 4.02Å; M99-Y132 HydrophobicContact CE-CD1 3.64Å; M99-Y132 HydrophobicContact CE-CE1 3.66Å; M99-Y132 HydrophobicContact CE-CG 4.34Å; M99-Y132 HydrophobicContact SD-CE1 4.23Å; F102-Y132 HydrophobicContact CD2-CE1 4.04Å; F102-Y132 HydrophobicContact CE2-CD1 4.12Å; F102-Y132 AromaticContact CE2-CE1 3.79Å; F102-Y132 HydrophobicContact CE2-CE1 3.79Å; E128-Y132 VanDerWaalsContact O-CB 3.24Å; E128-Y132 WeakPolarHBondContact O-CB 3.37Å; E128-Y132 PolarHBondContact O-N 3.14Å; C129-Y132 PolarHBondContact O-N 2.82Å; V130-Y132 VanDerWaalsContact C-N 3.3Å; V130-Y132 PolarHBondContact O-N 3.46Å; Y132-A135 PolarHBondContact O-N 2.88Å; Y132-L136 HydrophobicContact CD1-CD1 3.74Å; Y132-L136 HydrophobicContact CD1-CG 4.37Å; Y132-L136 HydrophobicContact CE1-CD1 3.48Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.48Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CB 3.43Å; Y132-L136 WeakPolarHBondContact O-CG 3.46Å; Y132-L136 PolarHBondContact O-N 2.96Å
133L98.9Very high98.7Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-67.2-36.8176.8-70.9173.3000112.3L98 F102 F115 Y119 C129 V130 L136 K137 L146L98-L133 HydrophobicContact CD1-CD2 4.35Å; L98-L133 HydrophobicContact CD2-CD1 4.19Å; L98-L133 HydrophobicContact CD2-CD2 4.25Å; L98-L133 HydrophobicContact CD2-CG 4.01Å; F102-L133 HydrophobicContact CE2-CD2 4.39Å; F102-L133 HydrophobicContact CZ-CD2 3.94Å; F115-L133 HydrophobicContact CD2-CD2 4.43Å; F115-L133 HydrophobicContact CE1-CD2 4.35Å; F115-L133 HydrophobicContact CE2-CD2 3.96Å; F115-L133 HydrophobicContact CZ-CD2 3.93Å; Y119-L133 HydrophobicContact CD1-CD1 3.37Å; Y119-L133 HydrophobicContact CE1-CD1 3.85Å; Y119-L133 HydrophobicContact CG-CD1 4.16Å; C129-L133 WeakPolarHBondContact O-CB 3.32Å; C129-L133 WeakPolarHBondContact O-CG 3.19Å; C129-L133 PolarHBondContact O-N 3.42Å; V130-L133 PolarHBondContact O-N 2.9Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 2.91Å; L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 PolarHBondContact O-N 2.91Å; L133-L146 HydrophobicContact CB-CD1 4.27Å; L133-L146 HydrophobicContact CB-CD2 4.31Å; L133-L146 HydrophobicContact CD1-CD2 4.43Å; L133-L146 HydrophobicContact CD2-CD2 4.34Å
134W98.9Very high98.8Very high0 Ų028 Ų280%013%0.128CC..Hα-helixtrans-68.8-41173.4-92-121.9000111.8I64 I65 L72 Y119 V130 L136 K137 I138 L146 A181 F182 L185I64-W134 HydrophobicContact CG2-CB 3.64Å; I65-W134 VanDerWaalsContact O-CD1 3.31Å; L72-W134 HydrophobicContact CD1-CZ2 3.79Å; Y119-W134 HydrophobicContact CD2-CH2 4.5Å; Y119-W134 HydrophobicContact CD2-CZ3 4.36Å; V130-W134 HydrophobicContact CG1-CD2 4.15Å; V130-W134 HydrophobicContact CG1-CE3 3.92Å; V130-W134 HydrophobicContact CG1-CZ3 4.19Å; V130-W134 WeakPolarHBondContact O-CB 3.36Å; V130-W134 VanDerWaalsContact O-CE3 3.28Å; V130-W134 PolarHBondContact O-N 3.37Å; W134-L136 VanDerWaalsContact C-N 3.32Å; W134-L136 PolarHBondContact O-N 2.84Å; W134-K137 PolarHBondContact O-N 2.88Å; W134-K137 VanDerWaalsContact O-N 3.14Å; W134-I138 WeakPolarHBondContact O-CD1 3.46Å; W134-I138 VanDerWaalsContact O-CG1 3.32Å; W134-I138 WeakPolarHBondContact O-CG1 3.48Å; W134-I138 PolarHBondContact O-N 3.15Å; W134-L146 HydrophobicContact CE3-CD1 3.91Å; W134-L146 HydrophobicContact CH2-CD1 4.4Å; W134-L146 HydrophobicContact CZ3-CD1 3.86Å; W134-A181 HydrophobicContact CZ2-CB 4.21Å; W134-F182 AromaticContact CH2-CD1 3.77Å; W134-F182 HydrophobicContact CH2-CD1 3.77Å; W134-F182 AromaticContact CH2-CE1 3.61Å; W134-F182 HydrophobicContact CH2-CE1 3.61Å; W134-F182 AromaticContact CZ2-CD1 3.84Å; W134-F182 HydrophobicContact CZ2-CD1 3.84Å; W134-F182 AromaticContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ3-CE1 4.34Å; W134-L185 HydrophobicContact CH2-CD1 4.18Å; W134-L185 HydrophobicContact CH2-CD2 4.01Å; W134-L185 HydrophobicContact CH2-CG 4.41Å; W134-L185 HydrophobicContact CZ2-CD2 4.27Å
135A98.9Very high98.8Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-60.5-42.1173.100000111.8P41 V43 L46 I64 L131 Y132 I138 L139P41-A135 HydrophobicContact CB-CB 3.99Å; P41-A135 HydrophobicContact CG-CB 4.11Å; P41-A135 WeakPolarHBondContact CG-O 3.33Å; V43-A135 HydrophobicContact CG1-CB 4.22Å; L46-A135 HydrophobicContact CD2-CB 3.47Å; L46-A135 VanDerWaalsContact CD2-CB 3.47Å; I64-A135 HydrophobicContact CG2-CB 4.27Å; L131-A135 VanDerWaalsContact O-CB 3.25Å; L131-A135 WeakPolarHBondContact O-CB 3.46Å; L131-A135 PolarHBondContact O-N 3.08Å; L131-A135 VanDerWaalsContact O-N 3.08Å; Y132-A135 PolarHBondContact O-N 2.88Å; A135-I138 PolarHBondContact O-N 2.8Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 PolarHBondContact O-N 3.4Å
136L98.9Very high98.8Very high1 Ų118.1 Ų18.11%0.0059%0.089CC..Hα-helixtrans-64.6-38.5172-73.5173000112.5V43 F102 P108 Y132 L133 W134 I138 L139 Y140 L144V43-L136 HydrophobicContact CB-CD2 4.44Å; V43-L136 HydrophobicContact CG1-CD2 4.06Å; V43-L136 HydrophobicContact CG1-CG 4.48Å; V43-L136 HydrophobicContact CG2-CD2 4.47Å; F102-L136 HydrophobicContact CE1-CD1 4.22Å; F102-L136 HydrophobicContact CE2-CD1 3.75Å; F102-L136 HydrophobicContact CZ-CD1 3.5Å; P108-L136 HydrophobicContact CB-CD2 3.99Å; P108-L136 HydrophobicContact CG-CD1 4.14Å; P108-L136 HydrophobicContact CG-CD2 4.07Å; Y132-L136 HydrophobicContact CD1-CD1 3.74Å; Y132-L136 HydrophobicContact CD1-CG 4.37Å; Y132-L136 HydrophobicContact CE1-CD1 3.48Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.48Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CB 3.43Å; Y132-L136 WeakPolarHBondContact O-CG 3.46Å; Y132-L136 PolarHBondContact O-N 2.96Å; L133-L136 HydrophobicContact CD2-CD1 4.49Å; L133-L136 PolarHBondContact O-N 2.91Å; W134-L136 VanDerWaalsContact C-N 3.32Å; W134-L136 PolarHBondContact O-N 2.84Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 2.7Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-Y140 HydrophobicContact CD2-CD2 3.78Å; L136-Y140 HydrophobicContact CD2-CE2 3.67Å; L136-Y140 WeakPolarHBondContact O-CA 3.32Å; L136-Y140 WeakPolarHBondContact O-CB 3.33Å; L136-Y140 PolarHBondContact O-N 2.93Å; L136-L144 HydrophobicContact CB-CD1 4Å; L136-L144 HydrophobicContact CB-CD2 4.32Å; L136-L144 HydrophobicContact CD1-CD1 4.2Å
137K98.9Very high98.8Very high0 Ų018.1 Ų18.10%09%0.089CC..Hα-helixtrans-65.5-34176.3-176.768.1-162.5-174.10112.3I71 L72 E75 L133 W134 P141 L144 L146I71-K137 HydrophobicContact CG2-CG 4.49Å; L72-K137 HydrophobicContact CD2-CD 4.23Å; L72-K137 HydrophobicContact CD2-CG 4.28Å; L72-K137 HydrophobicContact CG-CG 4.45Å; E75-K137 IonicContact OE1-NZ 2.79Å; E75-K137 PolarHBondContact OE1-NZ 2.76Å; E75-K137 WeakPolarHBondContact OE2-CE 3.33Å; E75-K137 IonicContact OE2-NZ 3.35Å; E75-K137 PolarHBondContact OE2-NZ 2.96Å; L133-K137 WeakPolarHBondContact O-CB 3.28Å; L133-K137 PolarHBondContact O-N 2.91Å; W134-K137 PolarHBondContact O-N 2.88Å; W134-K137 VanDerWaalsContact O-N 3.14Å; K137-P141 VanDerWaalsContact O-CA 3.25Å; K137-P141 WeakPolarHBondContact O-CA 3.29Å; K137-P141 WeakPolarHBondContact O-CB 3.46Å; K137-L144 HydrophobicContact CB-CD2 4.16Å; K137-L144 HydrophobicContact CD-CD2 4.39Å; K137-L144 VanDerWaalsContact CD-O 3.24Å; K137-L144 WeakPolarHBondContact CD-O 3.24Å; K137-L144 PolarHBondContact NZ-O 3.33Å; K137-L146 HydrophobicContact CB-CD1 4.19Å
138I98.9Very high98.8Very high27 Ų2718.1 Ų18.114%0.1389%0.089CC..Hα-helixtrans-68.8-41.8172.6-64.7155000111.3P41 I64 E67 I71 W134 A135 L136P41-I138 HydrophobicContact CG-CB 4.09Å; P41-I138 HydrophobicContact CG-CG2 4.07Å; I64-I138 HydrophobicContact CG2-CD1 4.36Å; I64-I138 WeakPolarHBondContact O-CD1 3.38Å; E67-I138 HydrophobicContact CB-CD1 3.73Å; E67-I138 HydrophobicContact CB-CG1 4.04Å; I71-I138 HydrophobicContact CD1-CB 4.25Å; I71-I138 HydrophobicContact CD1-CG1 4Å; W134-I138 WeakPolarHBondContact O-CD1 3.46Å; W134-I138 VanDerWaalsContact O-CG1 3.32Å; W134-I138 WeakPolarHBondContact O-CG1 3.48Å; W134-I138 PolarHBondContact O-N 3.15Å; A135-I138 PolarHBondContact O-N 2.8Å; L136-I138 VanDerWaalsContact C-N 3.32Å; L136-I138 PolarHBondContact O-N 2.7Å
139L98.8Very high98.8Very high45 Ų4518 Ų1824%0.2369%0.088CC..Hα-helixtrans-75.8-33.4-178.4-172.958.6000113.2K40 P41 V43 A135 L136 P141K40-L139 HydrophobicContact CB-CD1 4.17Å; K40-L139 HydrophobicContact CD-CD1 4.44Å; P41-L139 HydrophobicContact CG-CB 4.21Å; V43-L139 HydrophobicContact CB-CD2 4.41Å; V43-L139 HydrophobicContact CG1-CD2 3.84Å; V43-L139 HydrophobicContact CG2-CD2 3.67Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.45Å; L139-P141 WeakPolarHBondContact O-CD 3.22Å
140Y98.8Very high98.8Very high51 Ų5118.2 Ų18.220%0.29%0.089CC..  trans-126.250.2-172-58.7-58.5000113.3P108 A109 L136 K142 T143 L144P108-Y140 HydrophobicContact CB-CD2 3.73Å; P108-Y140 HydrophobicContact CB-CE2 3.79Å; A109-Y140 HydrophobicContact CB-CE1 4.35Å; A109-Y140 WeakPolarHBondContact CB-OH 3.48Å; L136-Y140 HydrophobicContact CD2-CD2 3.78Å; L136-Y140 HydrophobicContact CD2-CE2 3.67Å; L136-Y140 WeakPolarHBondContact O-CA 3.32Å; L136-Y140 WeakPolarHBondContact O-CB 3.33Å; L136-Y140 PolarHBondContact O-N 2.93Å; Y140-K142 PolarHBondContact O-N 3.43Å; Y140-T143 WeakPolarHBondContact CB-OG1 3.49Å; Y140-T143 PolarHBondContact O-N 3.5Å; Y140-T143 VanDerWaalsContact O-N 3.1Å; Y140-L144 PolarHBondContact O-N 3.15Å
141P98.7Very high98.8Very high42 Ų4218.5 Ų18.527%0.2739%0.091SC..THydrogen-bonded Turntrans-68.8-2.8-165.529.4-38.2000115.8I71 K137 L139I71-P141 HydrophobicContact CD1-CB 4.39Å; I71-P141 HydrophobicContact CG2-CB 3.95Å; K137-P141 VanDerWaalsContact O-CA 3.25Å; K137-P141 WeakPolarHBondContact O-CA 3.29Å; K137-P141 WeakPolarHBondContact O-CB 3.46Å; L139-P141 WeakPolarHBondContact O-CD 3.22Å
142K98.6Very high98.8Very high134 Ų13418.5 Ų18.558%0.5839%0.091SC*.THydrogen-bonded Turntrans-128.45.6177.9-57.6-63.6157.9-147.70113.9E75 R112 Y140 F145E75-K142 IonicContact OE1-NZ 2.68Å; R112-K142 PolarHBondContact NH1-O 3.05Å; R112-K142 VanDerWaalsContact NH1-O 3.1Å; Y140-K142 PolarHBondContact O-N 3.43Å; K142-F145 WeakPolarHBondContact O-CZ 3.31Å
143T98.5Very high98.8Very high48 Ų4818 Ų1829%0.2949%0.089SC..THydrogen-bonded Turntrans-128.1-21.8175500000113.2R112 Y113 Y140R112-T143 CarbonylContact C-O 3.48Å; R112-T143 VanDerWaalsContact CA-O 3.23Å; R112-T143 WeakPolarHBondContact CA-O 3.27Å; R112-T143 HydrophobicContact CG-CG2 3.92Å; Y113-T143 PolarHBondContact N-O 2.68Å; Y140-T143 WeakPolarHBondContact CB-OG1 3.49Å; Y140-T143 PolarHBondContact O-N 3.5Å; Y140-T143 VanDerWaalsContact O-N 3.1Å
144L98.7Very high98.8Very high1 Ų121 Ų211%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-110.4129.7170.4-172.2136.8000111F102 P108 Y113 F115 L136 K137 Y140 L146F102-L144 HydrophobicContact CE1-CD1 4.47Å; P108-L144 HydrophobicContact CB-CD1 4.36Å; P108-L144 HydrophobicContact CG-CD1 4.49Å; Y113-L144 HydrophobicContact CG-CD1 4.47Å; F115-L144 HydrophobicContact CE2-CD1 4.13Å; L136-L144 HydrophobicContact CB-CD1 4Å; L136-L144 HydrophobicContact CB-CD2 4.32Å; L136-L144 HydrophobicContact CD1-CD1 4.2Å; K137-L144 HydrophobicContact CB-CD2 4.16Å; K137-L144 HydrophobicContact CD-CD2 4.39Å; K137-L144 VanDerWaalsContact CD-O 3.24Å; K137-L144 WeakPolarHBondContact CD-O 3.24Å; K137-L144 PolarHBondContact NZ-O 3.33Å; Y140-L144 PolarHBondContact O-N 3.15Å; L144-L146 HydrophobicContact CD2-CD1 4.46Å; L144-L146 HydrophobicContact CD2-CD2 3.99Å; L144-L146 HydrophobicContact CD2-CG 4.05Å
145F98.9Very high98.7Very high14 Ų1422.8 Ų22.86%0.06111%0.109CC..EExtended strand (participates in β ladder)trans-128.7139.9-175-56.4-79.3000110.2L79 I81 Y113 L114 F115 K142L79-F145 HydrophobicContact CD1-CB 3.95Å; L79-F145 HydrophobicContact CD1-CD1 3.89Å; L79-F145 HydrophobicContact CD1-CG 4.23Å; I81-F145 HydrophobicContact CD1-CB 3.8Å; I81-F145 HydrophobicContact CD1-CD1 4.16Å; I81-F145 HydrophobicContact CD1-CD2 3.61Å; I81-F145 HydrophobicContact CD1-CE2 4.2Å; I81-F145 HydrophobicContact CD1-CG 3.58Å; I81-F145 HydrophobicContact CG1-CD2 4.08Å; I81-F145 HydrophobicContact CG1-CE2 4.15Å; I81-F145 HydrophobicContact CG1-CG 4.25Å; I81-F145 HydrophobicContact CG1-CZ 4.39Å; I81-F145 HydrophobicContact CG2-CD2 4.22Å; I81-F145 HydrophobicContact CG2-CE2 4.12Å; Y113-F145 WeakPolarHBondContact O-CD2 3.38Å; Y113-F145 PolarHBondContact O-N 2.79Å; L114-F145 HydrophobicContact CD1-CB 3.92Å; F115-F145 PolarHBondContact N-O 2.92Å; K142-F145 WeakPolarHBondContact O-CZ 3.31Å
146L99Very high98.6Very high0 Ų022.9 Ų22.90%011%0.109CC..EExtended strand (participates in β ladder)trans-128.4120.9-177.3-58.7175.3000107L72 F115 Y119 L133 W134 K137 L144 L185 P186L72-L146 HydrophobicContact CD2-CB 4.43Å; F115-L146 HydrophobicContact CB-CD2 4Å; F115-L146 HydrophobicContact CD2-CD2 3.79Å; F115-L146 HydrophobicContact CG-CD2 4.09Å; Y119-L146 HydrophobicContact CE1-CD2 3.93Å; Y119-L146 WeakPolarHBondContact OH-CA 3.36Å; Y119-L146 WeakPolarHBondContact OH-CB 3.34Å; L133-L146 HydrophobicContact CB-CD1 4.27Å; L133-L146 HydrophobicContact CB-CD2 4.31Å; L133-L146 HydrophobicContact CD1-CD2 4.43Å; L133-L146 HydrophobicContact CD2-CD2 4.34Å; W134-L146 HydrophobicContact CE3-CD1 3.91Å; W134-L146 HydrophobicContact CH2-CD1 4.4Å; W134-L146 HydrophobicContact CZ3-CD1 3.86Å; K137-L146 HydrophobicContact CB-CD1 4.19Å; L144-L146 HydrophobicContact CD2-CD1 4.46Å; L144-L146 HydrophobicContact CD2-CD2 3.99Å; L144-L146 HydrophobicContact CD2-CG 4.05Å; L146-L185 HydrophobicContact CB-CD2 3.75Å; L146-P186 WeakPolarHBondContact O-CD 3.43Å
147L98.9Very high98.6Very high0 Ų022.8 Ų22.80%011%0.109CC..  trans-91.3172.7167.8-56.8-173000110.3L79 L114 F115 L116 Y119 P186 A188 A189 C197L79-L147 HydrophobicContact CD1-CD2 3.88Å; L79-L147 HydrophobicContact CG-CD2 4.47Å; L114-L147 HydrophobicContact CD1-CD1 4.24Å; L114-L147 HydrophobicContact CD1-CD2 4.21Å; L114-L147 HydrophobicContact CD1-CG 3.87Å; F115-L147 PolarHBondContact O-N 2.95Å; L116-L147 HydrophobicContact CD2-CD1 3.83Å; L116-L147 WeakPolarHBondContact O-CB 3.43Å; Y119-L147 VanDerWaalsContact CE2-O 3.3Å; Y119-L147 WeakPolarHBondContact CE2-O 3.32Å; Y119-L147 PolarHBondContact OH-N 2.78Å; Y119-L147 PolarHBondContact OH-O 2.77Å; L147-P186 CarbonylContact C-O 3.59Å; L147-P186 WeakPolarHBondContact CA-O 3.43Å; L147-P186 HydrophobicContact CD2-CB 3.89Å; L147-A188 WeakPolarHBondContact CD2-O 3.26Å; L147-A189 HydrophobicContact CD2-CB 4.41Å; L147-C197 WeakPolarHBondContact CD1-O 3.36Å
148R98.9Very high98.5Very high0 Ų026.4 Ų26.40%013%0.126CC..  trans-91.4128.6172.6-157.8175.4-172.5166.88.2109.9E152 F182 D183 L185 P186 L187 K219 L231R148-E152 HydrophobicContact CG-CB 3.73Å; R148-E152 VanDerWaalsContact CZ-O 3.27Å; R148-E152 PolarHBondContact NE-O 3.44Å; R148-E152 PolarHBondContact NH2-O 2.93Å; R148-F182 PolarHBondContact NE-O 2.88Å; R148-D183 IonicContact CZ-OD1 3.8Å; R148-D183 IonicContact NH1-OD1 3.91Å; R148-D183 PolarHBondContact NH1-OD1 3.09Å; R148-D183 IonicContact NH2-OD1 3.7Å; R148-D183 PolarHBondContact NH2-OD1 2.93Å; R148-L185 HydrophobicContact CB-CB 3.68Å; R148-L185 HydrophobicContact CB-CD1 4.23Å; R148-L185 HydrophobicContact CG-CB 4.06Å; R148-L185 HydrophobicContact CG-CD1 4.03Å; R148-P186 PolarHBondContact N-O 2.79Å; R148-L187 HydrophobicContact CB-CD2 4.34Å; R148-K219 PolarHBondContact NH1-O 2.71Å; R148-L231 HydrophobicContact CB-CD2 4.22Å; R148-L231 WeakPolarHBondContact O-CD2 3.48Å
149G98.9Very high98.3Very high0 Ų029.6 Ų29.60%014%0.137CC..  trans-92.5-177.6162.300000112.4D118 E152 H199D118-G149 WeakPolarHBondContact OD1-CA 3.38Å; G149-E152 VanDerWaalsContact CA-OE2 3.29Å; G149-E152 WeakPolarHBondContact CA-OE2 3.29Å; G149-E152 PolarHBondContact N-OE2 3.04Å; G149-H199 VanDerWaalsContact CA-CD2 3.41Å; G149-H199 WeakPolarHBondContact CA-CD2 3.08Å; G149-H199 VanDerWaalsContact CA-CG 3.45Å
150N98.7Very high98.1Very high4 Ų428.8 Ų28.82%0.02113%0.132CC..SBendtrans-74.4-26.5177.961.3-69.1000112.7D118 E152 C153 L156 H199 L231 W232 H281D118-N150 PolarHBondContact OD1-N 2.79Å; D118-N150 PolarHBondContact OD1-OD1 3.27Å; D118-N150 PolarHBondContact OD2-OD1 3.4Å; N150-E152 VanDerWaalsContact C-N 3.32Å; N150-C153 PolarHBondContact O-SG 2.72Å; N150-L156 WeakPolarHBondContact ND2-CD2 3.37Å; N150-H199 PolarHBondContact N-CD2 3.35Å; N150-H199 PolarHBondContact OD1-CD2 3.07Å; N150-H199 VanDerWaalsContact OD1-CD2 3.27Å; N150-H199 PolarHBondContact OD1-NE2 3.32Å; N150-L231 HydrophobicContact CB-CB 4.21Å; N150-W232 HydrophobicContact CB-CD2 3.92Å; N150-W232 HydrophobicContact CB-CE3 4.48Å; N150-W232 HydrophobicContact CB-CG 4.3Å; N150-W232 HydrophobicContact CB-CH2 4.46Å; N150-W232 HydrophobicContact CB-CZ2 3.85Å; N150-H281 VanDerWaalsContact CG-CE1 3.4Å; N150-H281 PolarHBondContact OD1-CE1 2.88Å; N150-H281 PolarHBondContact OD1-ND1 3.16Å
151H98.7Very high98.1Very high6 Ų628.5 Ų28.53%0.02814%0.135CC..SBendtrans-76.1-13.9175.5-81.4-94.1000113.8H92 D118 V120 D121 C153 T157 F160H92-H151 AromaticContact CE1-CD2 3.55Å; H92-H151 AromaticContact CE1-NE2 3.78Å; D118-H151 HydrophobicContact CB-CB 4.42Å; D118-H151 WeakPolarHBondContact OD1-CB 3.48Å; D118-H151 IonicContact OD1-CD2 3.53Å; D118-H151 PolarHBondContact OD1-N 2.72Å; D118-H151 IonicContact OD2-CD2 3.74Å; D118-H151 PolarHBondContact OD2-CD2 2.63Å; V120-H151 HydrophobicContact CG2-CB 4.15Å; V120-H151 WeakPolarHBondContact CG2-O 3.46Å; D121-H151 VanDerWaalsContact CB-ND1 3.34Å; D121-H151 WeakPolarHBondContact CB-ND1 3.4Å; D121-H151 IonicContact OD2-CE1 3.32Å; D121-H151 IonicContact OD2-CG 3.62Å; D121-H151 IonicContact OD2-ND1 2.79Å; D121-H151 PolarHBondContact OD2-ND1 2.82Å; H151-C153 PolarHBondContact O-N 3.26Å; H151-T157 WeakPolarHBondContact O-CG2 3.11Å; H151-F160 AromaticContact CE1-CD2 3.45Å; H151-F160 VanDerWaalsContact CE1-CD2 3.45Å; H151-F160 WeakPolarHBondContact CE1-CD2 3.43Å; H151-F160 AromaticContact CE1-CE2 3.43Å; H151-F160 VanDerWaalsContact CE1-CE2 3.43Å; H151-F160 WeakPolarHBondContact CE1-CE2 3.44Å; H151-F160 AromaticContact ND1-CD2 3.92Å
152E98.9Very high98.1Very high0 Ų026.5 Ų26.50%012%0.122CC..SBendtrans-76.953.1171.8-79.776.4-124.100112.6D118 Y119 R148 G149 N150 F182 L185D118-E152 WeakPolarHBondContact CA-OE1 3.41Å; D118-E152 PolarHBondContact N-OE2 3.42Å; Y119-E152 HydrophobicContact CD2-CG 3.78Å; Y119-E152 VanDerWaalsContact CD2-OE1 3.31Å; Y119-E152 WeakPolarHBondContact CD2-OE1 3.39Å; Y119-E152 HydrophobicContact CE2-CG 4.16Å; Y119-E152 PolarHBondContact N-OE1 3Å; R148-E152 HydrophobicContact CG-CB 3.73Å; R148-E152 VanDerWaalsContact CZ-O 3.27Å; R148-E152 PolarHBondContact NE-O 3.44Å; R148-E152 PolarHBondContact NH2-O 2.93Å; G149-E152 VanDerWaalsContact CA-OE2 3.29Å; G149-E152 WeakPolarHBondContact CA-OE2 3.29Å; G149-E152 PolarHBondContact N-OE2 3.04Å; N150-E152 VanDerWaalsContact C-N 3.32Å; E152-F182 HydrophobicContact CB-CB 3.97Å; E152-F182 HydrophobicContact CB-CD1 4.4Å; E152-F182 HydrophobicContact CB-CD2 3.76Å; E152-F182 HydrophobicContact CB-CE2 4.31Å; E152-F182 HydrophobicContact CB-CG 3.8Å; E152-F182 HydrophobicContact CG-CB 4.46Å; E152-F182 HydrophobicContact CG-CD1 3.96Å; E152-F182 HydrophobicContact CG-CD2 3.85Å; E152-F182 HydrophobicContact CG-CE1 4.1Å; E152-F182 HydrophobicContact CG-CE2 3.97Å; E152-F182 HydrophobicContact CG-CG 3.83Å; E152-F182 HydrophobicContact CG-CZ 4.1Å; E152-L185 HydrophobicContact CB-CD1 3.94Å; E152-L185 HydrophobicContact CG-CD1 3.68Å
153C98.7Very high98.1Very high5 Ų521.9 Ų21.93%0.03410%0.102CC..SBendtrans-146.1157.2177.874.20000113.3N150 H151 H155 L156 T157 E220 P221N150-C153 PolarHBondContact O-SG 2.72Å; H151-C153 PolarHBondContact O-N 3.26Å; C153-H155 VanDerWaalsContact C-N 3.3Å; C153-H155 PolarHBondContact O-N 3.41Å; C153-L156 PolarHBondContact SG-N 2.92Å; C153-T157 WeakPolarHBondContact O-CB 3.26Å; C153-T157 WeakPolarHBondContact O-CG2 3.15Å; C153-T157 PolarHBondContact O-N 2.85Å; C153-T157 PolarHBondContact O-OG1 2.69Å; C153-E220 WeakPolarHBondContact CB-OE1 3.43Å; C153-P221 HydrophobicContact CB-CG 3.85Å
154R98.6Very high98.1Very high64 Ų6425 Ų2524%0.24211%0.113CC..Hα-helixtrans-65.6-34.5-180-61.9163.9-174.783.9-3.2111.7E158 M179 D180 D183 E220R154-E158 WeakPolarHBondContact O-CB 3.44Å; R154-E158 PolarHBondContact O-N 3.38Å; R154-E158 VanDerWaalsContact O-N 3.15Å; R154-M179 HydrophobicContact CB-SD 4.12Å; R154-M179 HydrophobicContact CG-CB 3.78Å; R154-M179 HydrophobicContact CG-CG 3.59Å; R154-M179 HydrophobicContact CG-SD 3.49Å; R154-M179 WeakPolarHBondContact CG-SD 3.22Å; R154-D180 IonicContact CZ-OD1 3.7Å; R154-D180 IonicContact NH2-OD1 3.96Å; R154-D180 PolarHBondContact NH2-OD1 3.01Å; R154-D183 IonicContact CZ-OD2 3.77Å; R154-D183 VanDerWaalsContact CZ-OD2 3.23Å; R154-D183 VanDerWaalsContact NH1-CG 3.33Å; R154-D183 IonicContact NH1-OD1 3.88Å; R154-D183 PolarHBondContact NH1-OD1 3.29Å; R154-D183 VanDerWaalsContact NH1-OD1 3.1Å; R154-D183 IonicContact NH1-OD2 2.87Å; R154-D183 PolarHBondContact NH1-OD2 3.05Å; R154-D183 IonicContact NH2-OD2 3.65Å; R154-D183 PolarHBondContact NH2-OD2 3.2Å; R154-E220 WeakPolarHBondContact CA-OE1 3.44Å; R154-E220 WeakPolarHBondContact CB-OE1 3.32Å; R154-E220 WeakPolarHBondContact CB-OE2 3.34Å; R154-E220 WeakPolarHBondContact CD-OE2 3.46Å; R154-E220 VanDerWaalsContact CG-OE2 3.25Å; R154-E220 WeakPolarHBondContact CG-OE2 3.33Å; R154-E220 IonicContact CZ-OE2 2.65Å; R154-E220 VanDerWaalsContact N-CD 3.33Å; R154-E220 PolarHBondContact N-OE1 2.87Å; R154-E220 PolarHBondContact N-OE2 2.98Å; R154-E220 IonicContact NH1-OE2 3.95Å; R154-E220 PolarHBondContact NH1-OE2 3.37Å
155H97.1Very high98.1Very high37 Ų3725.7 Ų25.717%0.17112%0.116CC..Hα-helixtrans-64.1-44.8-177.6-176.853.3000113.1C153 E220 P432C153-H155 VanDerWaalsContact C-N 3.3Å; C153-H155 PolarHBondContact O-N 3.41Å; H155-E220 PolarHBondContact N-OE1 2.7Å; H155-P432 PolarHBondContact CE1-O 3.2Å; H155-P432 VanDerWaalsContact CE1-O 3.27Å; H155-P432 PolarHBondContact NE2-O 3.28Å
156L97.1Very high98.1Very high1 Ų125 Ų251%0.00511%0.113CC..Hα-helixtrans-79.1-43.6179-93.258.2000111.9N150 C153 E158 Y159 F160 W232 P432N150-L156 WeakPolarHBondContact ND2-CD2 3.37Å; C153-L156 PolarHBondContact SG-N 2.92Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 3.18Å; L156-Y159 WeakPolarHBondContact O-CA 3.44Å; L156-Y159 WeakPolarHBondContact O-CB 3.39Å; L156-Y159 PolarHBondContact O-N 3.06Å; L156-F160 HydrophobicContact CB-CD2 4.22Å; L156-F160 HydrophobicContact CG-CD2 4.3Å; L156-F160 HydrophobicContact CG-CE2 4.09Å; L156-F160 WeakPolarHBondContact O-CD2 3.28Å; L156-F160 PolarHBondContact O-N 3.36Å; L156-W232 HydrophobicContact CD1-CH2 4.11Å; L156-W232 HydrophobicContact CD1-CZ2 3.75Å; L156-W232 HydrophobicContact CD2-CH2 3.7Å; L156-W232 HydrophobicContact CD2-CZ2 3.65Å; L156-W232 HydrophobicContact CG-CH2 4.46Å; L156-W232 HydrophobicContact CG-CZ2 4.36Å; L156-P432 HydrophobicContact CD1-CG 4.31Å
157T98.4Very high98Very high0 Ų029.3 Ų29.30%013%0.132CC..Hα-helixtrans-71.7-17.9-175.155.80000114.5V120 D121 H151 C153 F162 K163 Y175 M179V120-T157 HydrophobicContact CG2-CG2 3.73Å; D121-T157 WeakPolarHBondContact OD2-CA 3.47Å; D121-T157 WeakPolarHBondContact OD2-CG2 3.34Å; H151-T157 WeakPolarHBondContact O-CG2 3.11Å; C153-T157 WeakPolarHBondContact O-CB 3.26Å; C153-T157 WeakPolarHBondContact O-CG2 3.15Å; C153-T157 PolarHBondContact O-N 2.85Å; C153-T157 PolarHBondContact O-OG1 2.69Å; T157-F162 HydrophobicContact CG2-CB 3.91Å; T157-F162 HydrophobicContact CG2-CD1 3.7Å; T157-F162 HydrophobicContact CG2-CG 4.25Å; T157-K163 WeakPolarHBondContact O-CB 3.48Å; T157-K163 PolarHBondContact O-N 2.56Å; T157-Y175 WeakPolarHBondContact OG1-CE2 3.49Å; T157-Y175 PolarHBondContact OG1-OH 3.04Å; T157-M179 HydrophobicContact CG2-CE 4.21Å; T157-M179 PolarHBondContact OG1-SD 2.91Å
158E96.3Very high98Very high75 Ų7534.6 Ų34.635%0.3516%0.159SC..Hα-helixtrans-84.7-23.7165.4-179.4162.3-141.200113.5R154 L156 K163 R435R154-E158 WeakPolarHBondContact O-CB 3.44Å; R154-E158 PolarHBondContact O-N 3.38Å; R154-E158 VanDerWaalsContact O-N 3.15Å; L156-E158 VanDerWaalsContact C-N 3.27Å; L156-E158 PolarHBondContact O-N 3.18Å; E158-K163 HydrophobicContact CB-CD 3.92Å; E158-K163 HydrophobicContact CG-CD 3.91Å; E158-K163 IonicContact OE1-NZ 3.27Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 IonicContact OE2-NZ 3.85Å; E158-R435 IonicContact OE1-CZ 2.7Å; E158-R435 IonicContact OE1-NH1 3.61Å; E158-R435 PolarHBondContact OE1-NH1 2.82Å; E158-R435 IonicContact OE1-NH2 3.71Å; E158-R435 PolarHBondContact OE1-NH2 2.73Å; E158-R435 VanDerWaalsContact OE1-NH2 3.07Å; E158-R435 IonicContact OE2-CZ 2.91Å; E158-R435 IonicContact OE2-NH1 3.33Å; E158-R435 PolarHBondContact OE2-NH1 2.79Å; E158-R435 IonicContact OE2-NH2 2.67Å; E158-R435 PolarHBondContact OE2-NH2 2.81Å
159Y94.9Very high98Very high94 Ų9435.7 Ų35.737%0.36916%0.164SC..Hα-helixtrans-81-39175.6179.6-96.5000112.3L156 T387 P432L156-Y159 WeakPolarHBondContact O-CA 3.44Å; L156-Y159 WeakPolarHBondContact O-CB 3.39Å; L156-Y159 PolarHBondContact O-N 3.06Å; Y159-T387 WeakPolarHBondContact OH-CG2 3.31Å; Y159-P432 HydrophobicContact CD1-CB 4.12Å; Y159-P432 HydrophobicContact CD1-CG 3.46Å; Y159-P432 VanDerWaalsContact CD1-CG 3.46Å; Y159-P432 HydrophobicContact CD2-CB 3.62Å; Y159-P432 HydrophobicContact CD2-CG 3.9Å; Y159-P432 HydrophobicContact CE1-CB 4.4Å; Y159-P432 HydrophobicContact CE1-CG 3.91Å; Y159-P432 HydrophobicContact CE2-CB 3.93Å; Y159-P432 HydrophobicContact CE2-CG 4.3Å; Y159-P432 HydrophobicContact CG-CB 3.72Å; Y159-P432 HydrophobicContact CG-CG 3.45Å; Y159-P432 VanDerWaalsContact CG-CG 3.45Å
160F95.4Very high98Very high29 Ų2936.8 Ų36.813%0.12717%0.168CC..SBendtrans-94.1-135.5178.7-67.3-66000111.4D121 H151 L156 N428D121-F160 HydrophobicContact CB-CB 3.88Å; D121-F160 HydrophobicContact CB-CG 4.41Å; D121-F160 VanDerWaalsContact CG-CB 3.42Å; D121-F160 WeakPolarHBondContact OD1-CB 3.38Å; H151-F160 AromaticContact CE1-CD2 3.45Å; H151-F160 VanDerWaalsContact CE1-CD2 3.45Å; H151-F160 WeakPolarHBondContact CE1-CD2 3.43Å; H151-F160 AromaticContact CE1-CE2 3.43Å; H151-F160 VanDerWaalsContact CE1-CE2 3.43Å; H151-F160 WeakPolarHBondContact CE1-CE2 3.44Å; H151-F160 AromaticContact ND1-CD2 3.92Å; L156-F160 HydrophobicContact CB-CD2 4.22Å; L156-F160 HydrophobicContact CG-CD2 4.3Å; L156-F160 HydrophobicContact CG-CE2 4.09Å; L156-F160 WeakPolarHBondContact O-CD2 3.28Å; L156-F160 PolarHBondContact O-N 3.36Å; F160-N428 HydrophobicContact CE1-CB 4.01Å; F160-N428 HydrophobicContact CZ-CB 4.13Å; F160-N428 WeakPolarHBondContact CZ-O 3.3Å
161T97.5Very high98Very high44 Ų4437.8 Ų37.827%0.2718%0.175SC..SBendtrans-109.7-24.5-160.247.50000113.9D121 R122 Y124 K163 Q164 E165D121-T161 PolarHBondContact OD1-N 3.48Å; D121-T161 VanDerWaalsContact OD1-N 3.09Å; R122-T161 PolarHBondContact N-OG1 2.89Å; Y124-T161 HydrophobicContact CE1-CG2 4.39Å; T161-K163 PolarHBondContact O-N 3.36Å; T161-Q164 PolarHBondContact O-N 2.89Å; T161-Q164 VanDerWaalsContact O-N 3.1Å; T161-E165 WeakPolarHBondContact O-CB 3.5Å; T161-E165 PolarHBondContact O-N 2.81Å
162F98.7Very high98Very high0 Ų041 Ų410%019%0.19CC..Hα-helixtrans-64.3-38.7-168.8-178.4-127.5000114V120 D121 I127 V130 T157 Q164 E165 C166 Y175 C178 M179 F182V120-F162 HydrophobicContact CB-CB 4.21Å; V120-F162 HydrophobicContact CB-CD1 4.16Å; V120-F162 HydrophobicContact CB-CD2 4.16Å; V120-F162 HydrophobicContact CB-CG 3.93Å; V120-F162 HydrophobicContact CG1-CD1 4.14Å; V120-F162 HydrophobicContact CG1-CD2 4.05Å; V120-F162 HydrophobicContact CG1-CE1 4.02Å; V120-F162 HydrophobicContact CG1-CE2 3.92Å; V120-F162 HydrophobicContact CG1-CG 4.13Å; V120-F162 HydrophobicContact CG1-CZ 3.89Å; V120-F162 HydrophobicContact CG2-CD1 4.23Å; V120-F162 HydrophobicContact CG2-CG 4.38Å; D121-F162 VanDerWaalsContact OD1-CB 3.22Å; D121-F162 WeakPolarHBondContact OD1-CB 3.33Å; D121-F162 PolarHBondContact OD1-N 2.91Å; I127-F162 HydrophobicContact CB-CE2 4.08Å; I127-F162 HydrophobicContact CD1-CE2 3.99Å; I127-F162 HydrophobicContact CD1-CZ 4.04Å; V130-F162 HydrophobicContact CG2-CZ 4.15Å; T157-F162 HydrophobicContact CG2-CB 3.91Å; T157-F162 HydrophobicContact CG2-CD1 3.7Å; T157-F162 HydrophobicContact CG2-CG 4.25Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 2.97Å; F162-E165 PolarHBondContact O-N 2.7Å; F162-C166 VanDerWaalsContact CE2-SG 3.5Å; F162-C166 WeakPolarHBondContact O-CB 3.44Å; F162-C166 PolarHBondContact O-N 3.44Å; F162-C166 PolarHBondContact O-SG 3.27Å; F162-Y175 HydrophobicContact CD1-CD2 4.31Å; F162-C178 HydrophobicContact CE1-CB 3.85Å; F162-C178 HydrophobicContact CZ-CB 3.98Å; F162-M179 HydrophobicContact CD1-CE 3.86Å; F162-M179 HydrophobicContact CE1-CE 3.69Å; F162-F182 HydrophobicContact CD1-CE2 4.33Å; F162-F182 AromaticContact CE1-CE2 3.77Å; F162-F182 HydrophobicContact CE1-CE2 3.77Å; F162-F182 AromaticContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CZ-CZ 4.22Å
163K98.7Very high98Very high37 Ų3748.1 Ų48.116%0.16122%0.217CC..Hα-helixtrans-62.1-40.3174.5-171.3172.1-174.6178.50112T157 E158 T161 K167 E172 Y175T157-K163 WeakPolarHBondContact O-CB 3.48Å; T157-K163 PolarHBondContact O-N 2.56Å; E158-K163 HydrophobicContact CB-CD 3.92Å; E158-K163 HydrophobicContact CG-CD 3.91Å; E158-K163 IonicContact OE1-NZ 3.27Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 IonicContact OE2-NZ 3.85Å; T161-K163 PolarHBondContact O-N 3.36Å; K163-K167 HydrophobicContact CG-CD 4.32Å; K163-K167 VanDerWaalsContact O-CG 3.29Å; K163-K167 WeakPolarHBondContact O-CG 3.34Å; K163-K167 PolarHBondContact O-N 3.13Å; K163-E172 WeakPolarHBondContact CE-OE1 3.15Å; K163-E172 IonicContact NZ-OE1 3.07Å; K163-Y175 HydrophobicContact CB-CD2 3.71Å; K163-Y175 HydrophobicContact CB-CE2 3.49Å; K163-Y175 VanDerWaalsContact CB-CE2 3.49Å; K163-Y175 HydrophobicContact CB-CG 4.34Å; K163-Y175 HydrophobicContact CD-CD1 4.26Å; K163-Y175 HydrophobicContact CD-CE1 3.79Å; K163-Y175 HydrophobicContact CD-CE2 4.1Å; K163-Y175 HydrophobicContact CG-CD1 4.02Å; K163-Y175 HydrophobicContact CG-CD2 3.81Å; K163-Y175 HydrophobicContact CG-CE1 3.99Å; K163-Y175 HydrophobicContact CG-CE2 3.74Å; K163-Y175 HydrophobicContact CG-CG 3.93Å
164Q98.4Very high98Very high113 Ų11347.9 Ų47.953%0.52822%0.216SC..Hα-helixtrans-70.5-40.9176.5179.362.16.800111.4T161 F162 C166 K167 I168T161-Q164 PolarHBondContact O-N 2.89Å; T161-Q164 VanDerWaalsContact O-N 3.1Å; F162-Q164 VanDerWaalsContact C-N 3.32Å; F162-Q164 PolarHBondContact O-N 2.97Å; Q164-C166 PolarHBondContact O-N 3.32Å; Q164-K167 PolarHBondContact O-N 3.34Å; Q164-I168 HydrophobicContact CG-CG1 4.42Å; Q164-I168 VanDerWaalsContact O-CG1 3.31Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.01Å
165E98.8Very high98Very high16 Ų1645.3 Ų45.38%0.07521%0.206CC..Hα-helixtrans-58.7-47.8176.7-163.5-166128.700111.2S126 I127 T161 F162 K167 I168 K169S126-E165 WeakPolarHBondContact CB-OE2 3.3Å; S126-E165 PolarHBondContact N-OE1 3.1Å; S126-E165 PolarHBondContact N-OE2 2.84Å; S126-E165 PolarHBondContact OG-OE2 2.91Å; I127-E165 WeakPolarHBondContact CG2-OE1 3.21Å; I127-E165 PolarHBondContact N-OE1 3.45Å; T161-E165 WeakPolarHBondContact O-CB 3.5Å; T161-E165 PolarHBondContact O-N 2.81Å; F162-E165 PolarHBondContact O-N 2.7Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.97Å; E165-I168 PolarHBondContact O-N 3.38Å; E165-K169 HydrophobicContact CG-CD 3.89Å; E165-K169 WeakPolarHBondContact O-CB 3.34Å; E165-K169 PolarHBondContact O-N 2.84Å; E165-K169 IonicContact OE1-NZ 2.84Å; E165-K169 PolarHBondContact OE1-NZ 3.09Å
166C98.8Very high98.1Very high0 Ų047.2 Ų47.20%022%0.217CC..Hα-helixtrans-57.9-44.6175-710000112.1F162 Q164 I168 Y170 S171F162-C166 VanDerWaalsContact CE2-SG 3.5Å; F162-C166 WeakPolarHBondContact O-CB 3.44Å; F162-C166 PolarHBondContact O-N 3.44Å; F162-C166 PolarHBondContact O-SG 3.27Å; Q164-C166 PolarHBondContact O-N 3.32Å; C166-I168 VanDerWaalsContact C-N 3.32Å; C166-I168 PolarHBondContact O-N 3.47Å; C166-Y170 CarbonylContact O-C 3.56Å; C166-Y170 VanDerWaalsContact O-C 3.25Å; C166-Y170 WeakPolarHBondContact O-CA 3.3Å; C166-Y170 PolarHBondContact O-N 3.3Å; C166-S171 PolarHBondContact O-N 3.36Å
167K98.6Very high98.2Very high91 Ų9148 Ų4840%0.39622%0.224SC..Hα-helixtrans-68.8-26.1179.3-70.3171.672.6149.30113.6K163 Q164 E165 E172K163-K167 HydrophobicContact CG-CD 4.32Å; K163-K167 VanDerWaalsContact O-CG 3.29Å; K163-K167 WeakPolarHBondContact O-CG 3.34Å; K163-K167 PolarHBondContact O-N 3.13Å; Q164-K167 PolarHBondContact O-N 3.34Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 2.97Å; K167-E172 HydrophobicContact CD-CB 4.27Å; K167-E172 HydrophobicContact CD-CG 4.16Å; K167-E172 VanDerWaalsContact CE-OE2 3.3Å; K167-E172 WeakPolarHBondContact CE-OE2 3.26Å; K167-E172 HydrophobicContact CG-CB 4.03Å; K167-E172 HydrophobicContact CG-CG 4.38Å; K167-E172 IonicContact NZ-OE1 3.69Å; K167-E172 PolarHBondContact NZ-OE1 3.02Å; K167-E172 IonicContact NZ-OE2 3.33Å; K167-E172 PolarHBondContact NZ-OE2 3.45Å
168I98.4Very high98.2Very high110 Ų11048 Ų4856%0.56422%0.224SC*.Hα-helixtrans-85.7-35.9176.8-69-68.4000112.5R55 Q164 E165 C166R55-I168 PolarHBondContact NH1-O 2.9Å; Q164-I168 HydrophobicContact CG-CG1 4.42Å; Q164-I168 VanDerWaalsContact O-CG1 3.31Å; Q164-I168 WeakPolarHBondContact O-CG1 3.46Å; Q164-I168 PolarHBondContact O-N 3.01Å; E165-I168 PolarHBondContact O-N 3.38Å; C166-I168 VanDerWaalsContact C-N 3.32Å; C166-I168 PolarHBondContact O-N 3.47Å
169K98.7Very high98.3Very high23 Ų2344.5 Ų44.510%0.121%0.208CC..Hα-helixtrans-90-37.7-177.4-66.9179.7-177.6176.20113.2R28 R55 Y124 I127 E128 E165R28-K169 PolarHBondContact NH1-O 3.15Å; R28-K169 PolarHBondContact NH2-O 3.48Å; R55-K169 WeakPolarHBondContact CD-O 3.46Å; Y124-K169 PolarHBondContact O-NZ 2.96Å; I127-K169 HydrophobicContact CG2-CB 4.45Å; I127-K169 HydrophobicContact CG2-CD 3.53Å; E128-K169 WeakPolarHBondContact OE1-CD 3.47Å; E128-K169 WeakPolarHBondContact OE1-CE 3.35Å; E128-K169 IonicContact OE1-NZ 3.67Å; E128-K169 PolarHBondContact OE1-NZ 3.09Å; E128-K169 IonicContact OE2-NZ 2.86Å; E128-K169 PolarHBondContact OE2-NZ 2.9Å; E165-K169 HydrophobicContact CG-CD 3.89Å; E165-K169 WeakPolarHBondContact O-CB 3.34Å; E165-K169 PolarHBondContact O-N 2.84Å; E165-K169 IonicContact OE1-NZ 2.84Å; E165-K169 PolarHBondContact OE1-NZ 3.09Å
170Y98.7Very high98.5Very high24 Ų2444.3 Ų44.39%0.09421%0.213CC..SBendtrans-133.1-102.6-173.3-63.1-86.3000111.2R55 L56 A61 I127 L131 C166 V174R55-Y170 HydrophobicContact CB-CE1 4.29Å; L56-Y170 HydrophobicContact CB-CE1 4.09Å; L56-Y170 PolarHBondContact N-OH 2.75Å; L56-Y170 WeakPolarHBondContact O-CE1 3.24Å; A61-Y170 HydrophobicContact CB-CD1 4.21Å; A61-Y170 HydrophobicContact CB-CE1 4.09Å; I127-Y170 HydrophobicContact CG1-CD2 3.99Å; I127-Y170 HydrophobicContact CG1-CE2 3.91Å; I127-Y170 HydrophobicContact CG2-CD2 4.16Å; I127-Y170 HydrophobicContact CG2-CE2 3.74Å; L131-Y170 HydrophobicContact CD1-CE2 4.11Å; C166-Y170 CarbonylContact O-C 3.56Å; C166-Y170 VanDerWaalsContact O-C 3.25Å; C166-Y170 WeakPolarHBondContact O-CA 3.3Å; C166-Y170 PolarHBondContact O-N 3.3Å; Y170-V174 HydrophobicContact CG-CG1 4.44Å; Y170-V174 HydrophobicContact CG-CG2 4.45Å
171S98.7Very high98.7Very high24 Ų2443 Ų4317%0.16821%0.208CC..  trans-161.1170.9177.968.60000110.9E58 C166 R173 V174 Y175E58-S171 WeakPolarHBondContact OE2-CB 3.29Å; E58-S171 PolarHBondContact OE2-OG 2.71Å; C166-S171 PolarHBondContact O-N 3.36Å; S171-R173 PolarHBondContact O-N 3.31Å; S171-R173 PolarHBondContact OG-N 2.8Å; S171-V174 PolarHBondContact O-N 3.02Å; S171-Y175 PolarHBondContact O-N 2.81Å
172E98.7Very high98.8Very high73 Ų7341 Ų4134%0.34120%0.195SC..Hα-helixtrans-64.9-28.4175.6-159.9148.1-148.700112.1K163 K167 V174 Y175 D176K163-E172 WeakPolarHBondContact CE-OE1 3.15Å; K163-E172 IonicContact NZ-OE1 3.07Å; K167-E172 HydrophobicContact CD-CB 4.27Å; K167-E172 HydrophobicContact CD-CG 4.16Å; K167-E172 VanDerWaalsContact CE-OE2 3.3Å; K167-E172 WeakPolarHBondContact CE-OE2 3.26Å; K167-E172 HydrophobicContact CG-CB 4.03Å; K167-E172 HydrophobicContact CG-CG 4.38Å; K167-E172 IonicContact NZ-OE1 3.69Å; K167-E172 PolarHBondContact NZ-OE1 3.02Å; K167-E172 IonicContact NZ-OE2 3.33Å; K167-E172 PolarHBondContact NZ-OE2 3.45Å; E172-V174 VanDerWaalsContact C-N 3.25Å; E172-V174 PolarHBondContact O-N 3.02Å; E172-Y175 WeakPolarHBondContact O-CA 3.44Å; E172-Y175 VanDerWaalsContact O-CB 3.32Å; E172-Y175 WeakPolarHBondContact O-CB 3.01Å; E172-Y175 PolarHBondContact O-N 3Å; E172-Y175 VanDerWaalsContact O-N 3.07Å; E172-D176 VanDerWaalsContact O-CG 3.23Å; E172-D176 PolarHBondContact O-N 3.49Å
173R98.8Very high98.8Very high151 Ų15141.8 Ų41.857%0.5720%0.199SC*.Hα-helixtrans-61.4-32173.1-63.5178.164.3-152.22.1113.2E58 S171 A177E58-R173 IonicContact OE1-CZ 3.23Å; E58-R173 IonicContact OE1-NE 3.1Å; E58-R173 IonicContact OE1-NH1 2.84Å; E58-R173 PolarHBondContact OE1-NH1 3.49Å; S171-R173 PolarHBondContact O-N 3.31Å; S171-R173 PolarHBondContact OG-N 2.8Å; R173-A177 WeakPolarHBondContact O-CB 3.15Å; R173-A177 PolarHBondContact O-N 3.27Å; R173-A177 VanDerWaalsContact O-N 3.1Å
174V98.9Very high98.8Very high0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-73.6-37.5175.8173.30000110.4E58 A61 L62 I65 I127 Y170 S171 E172 C178E58-V174 HydrophobicContact CG-CG2 3.91Å; A61-V174 HydrophobicContact CB-CG2 4.43Å; L62-V174 HydrophobicContact CD2-CG2 4.06Å; L62-V174 HydrophobicContact CG-CG2 4.19Å; I65-V174 HydrophobicContact CD1-CG1 3.78Å; I127-V174 HydrophobicContact CD1-CG1 3.94Å; I127-V174 HydrophobicContact CG1-CG1 4.44Å; Y170-V174 HydrophobicContact CG-CG1 4.44Å; Y170-V174 HydrophobicContact CG-CG2 4.45Å; S171-V174 PolarHBondContact O-N 3.02Å; E172-V174 VanDerWaalsContact C-N 3.25Å; E172-V174 PolarHBondContact O-N 3.02Å; V174-C178 PolarHBondContact O-N 3.18Å; V174-C178 PolarHBondContact O-SG 2.83Å
175Y98.9Very high98.8Very high9 Ų934.8 Ų34.84%0.03517%0.167CC..Hα-helixtrans-60.9-51.4170.1166-94.5000111.4T157 F162 K163 S171 E172 A177 C178 M179T157-Y175 WeakPolarHBondContact OG1-CE2 3.49Å; T157-Y175 PolarHBondContact OG1-OH 3.04Å; F162-Y175 HydrophobicContact CD1-CD2 4.31Å; K163-Y175 HydrophobicContact CB-CD2 3.71Å; K163-Y175 HydrophobicContact CB-CE2 3.49Å; K163-Y175 VanDerWaalsContact CB-CE2 3.49Å; K163-Y175 HydrophobicContact CB-CG 4.34Å; K163-Y175 HydrophobicContact CD-CD1 4.26Å; K163-Y175 HydrophobicContact CD-CE1 3.79Å; K163-Y175 HydrophobicContact CD-CE2 4.1Å; K163-Y175 HydrophobicContact CG-CD1 4.02Å; K163-Y175 HydrophobicContact CG-CD2 3.81Å; K163-Y175 HydrophobicContact CG-CE1 3.99Å; K163-Y175 HydrophobicContact CG-CE2 3.74Å; K163-Y175 HydrophobicContact CG-CG 3.93Å; S171-Y175 PolarHBondContact O-N 2.81Å; E172-Y175 WeakPolarHBondContact O-CA 3.44Å; E172-Y175 VanDerWaalsContact O-CB 3.32Å; E172-Y175 WeakPolarHBondContact O-CB 3.01Å; E172-Y175 PolarHBondContact O-N 3Å; E172-Y175 VanDerWaalsContact O-N 3.07Å; Y175-A177 VanDerWaalsContact C-N 3.29Å; Y175-A177 PolarHBondContact O-N 3.23Å; Y175-C178 WeakPolarHBondContact O-CA 3.36Å; Y175-C178 WeakPolarHBondContact O-CB 3.48Å; Y175-C178 PolarHBondContact O-N 2.75Å; Y175-M179 HydrophobicContact CD1-CG 4.29Å; Y175-M179 HydrophobicContact CD2-CE 4.03Å; Y175-M179 HydrophobicContact CD2-CG 4.39Å; Y175-M179 HydrophobicContact CE1-CG 3.85Å; Y175-M179 HydrophobicContact CE2-CE 3.69Å; Y175-M179 HydrophobicContact CE2-CG 3.99Å; Y175-M179 HydrophobicContact CE2-SD 3.82Å; Y175-M179 WeakPolarHBondContact O-CG 3.39Å; Y175-M179 PolarHBondContact O-N 3.34Å
176D98.9Very high98.8Very high77 Ų7734 Ų3441%0.41216%0.164SC..Hα-helixtrans-57-43.9-179.6-59.6-34.6000111.2E172 C178 M179 D180E172-D176 VanDerWaalsContact O-CG 3.23Å; E172-D176 PolarHBondContact O-N 3.49Å; D176-C178 PolarHBondContact O-N 3.49Å; D176-M179 WeakPolarHBondContact O-CB 3.36Å; D176-M179 PolarHBondContact O-N 3.32Å; D176-M179 VanDerWaalsContact O-N 3.16Å; D176-D180 PolarHBondContact O-N 3.11Å; D176-D180 VanDerWaalsContact O-N 3.11Å
177A98.9Very high98.8Very high17 Ų1734 Ų3414%0.1416%0.164CC..Hα-helixtrans-63.7-36.3175.400000113.4L62 I65 R173 Y175 M179 A181L62-A177 HydrophobicContact CD2-CB 3.5Å; I65-A177 VanDerWaalsContact CG2-C 3.49Å; I65-A177 HydrophobicContact CG2-CB 3.99Å; I65-A177 WeakPolarHBondContact CG2-O 3.3Å; R173-A177 WeakPolarHBondContact O-CB 3.15Å; R173-A177 PolarHBondContact O-N 3.27Å; R173-A177 VanDerWaalsContact O-N 3.1Å; Y175-A177 VanDerWaalsContact C-N 3.29Å; Y175-A177 PolarHBondContact O-N 3.23Å; A177-M179 VanDerWaalsContact C-N 3.35Å; A177-A181 WeakPolarHBondContact O-CB 3.4Å; A177-A181 PolarHBondContact O-N 3.42Å
178C98.9Very high98.9Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-63.9-40.1172.5-70.90000111.3I65 F162 V174 Y175 D176 A181 F182I65-C178 VanDerWaalsContact CD1-SG 3.5Å; F162-C178 HydrophobicContact CE1-CB 3.85Å; F162-C178 HydrophobicContact CZ-CB 3.98Å; V174-C178 PolarHBondContact O-N 3.18Å; V174-C178 PolarHBondContact O-SG 2.83Å; Y175-C178 WeakPolarHBondContact O-CA 3.36Å; Y175-C178 WeakPolarHBondContact O-CB 3.48Å; Y175-C178 PolarHBondContact O-N 2.75Å; D176-C178 PolarHBondContact O-N 3.49Å; C178-A181 CarbonylContact O-C 3.52Å; C178-A181 WeakPolarHBondContact O-CB 3.32Å; C178-A181 PolarHBondContact O-N 2.9Å; C178-F182 HydrophobicContact CB-CE1 4.47Å; C178-F182 HydrophobicContact CB-CZ 4.27Å; C178-F182 WeakPolarHBondContact O-CB 3Å; C178-F182 WeakPolarHBondContact O-CD1 3.32Å; C178-F182 WeakPolarHBondContact O-CG 3.41Å; C178-F182 PolarHBondContact O-N 3.37Å
179M98.9Very high98.9Very high2 Ų224.4 Ų24.41%0.0112%0.118CC..Hα-helixtrans-64.4-44.6179.5-60.8-63.7106.200112R154 T157 F162 Y175 D176 A177 A181 F182 D183R154-M179 HydrophobicContact CB-SD 4.12Å; R154-M179 HydrophobicContact CG-CB 3.78Å; R154-M179 HydrophobicContact CG-CG 3.59Å; R154-M179 HydrophobicContact CG-SD 3.49Å; R154-M179 WeakPolarHBondContact CG-SD 3.22Å; T157-M179 HydrophobicContact CG2-CE 4.21Å; T157-M179 PolarHBondContact OG1-SD 2.91Å; F162-M179 HydrophobicContact CD1-CE 3.86Å; F162-M179 HydrophobicContact CE1-CE 3.69Å; Y175-M179 HydrophobicContact CD1-CG 4.29Å; Y175-M179 HydrophobicContact CD2-CE 4.03Å; Y175-M179 HydrophobicContact CD2-CG 4.39Å; Y175-M179 HydrophobicContact CE1-CG 3.85Å; Y175-M179 HydrophobicContact CE2-CE 3.69Å; Y175-M179 HydrophobicContact CE2-CG 3.99Å; Y175-M179 HydrophobicContact CE2-SD 3.82Å; Y175-M179 WeakPolarHBondContact O-CG 3.39Å; Y175-M179 PolarHBondContact O-N 3.34Å; D176-M179 WeakPolarHBondContact O-CB 3.36Å; D176-M179 PolarHBondContact O-N 3.32Å; D176-M179 VanDerWaalsContact O-N 3.16Å; A177-M179 VanDerWaalsContact C-N 3.35Å; M179-A181 PolarHBondContact O-N 3Å; M179-F182 HydrophobicContact CE-CD2 3.51Å; M179-F182 HydrophobicContact CE-CE2 3.46Å; M179-F182 VanDerWaalsContact CE-CE2 3.46Å; M179-F182 PolarHBondContact O-N 3.24Å; M179-F182 HydrophobicContact SD-CD2 4.37Å; M179-D183 PolarHBondContact O-N 3.03Å
180D98.9Very high98.9Very high91 Ų9123.6 Ų23.649%0.48712%0.115SC..Hα-helixtrans-70.7-21.2176.6-66-3.6000112.6R154 D176 C184R154-D180 IonicContact CZ-OD1 3.7Å; R154-D180 IonicContact NH2-OD1 3.96Å; R154-D180 PolarHBondContact NH2-OD1 3.01Å; D176-D180 PolarHBondContact O-N 3.11Å; D176-D180 VanDerWaalsContact O-N 3.11Å; D180-C184 PolarHBondContact O-SG 3.33Å
181A98.9Very high98.6Very high1 Ų122.6 Ų22.61%0.00811%0.111CC..Hα-helixtrans-77.6-38169.100000112.5I65 A69 W134 A177 C178 M179 D183 C184I65-A181 HydrophobicContact CG2-CB 3.73Å; A69-A181 HydrophobicContact CB-CB 3.63Å; W134-A181 HydrophobicContact CZ2-CB 4.21Å; A177-A181 WeakPolarHBondContact O-CB 3.4Å; A177-A181 PolarHBondContact O-N 3.42Å; C178-A181 CarbonylContact O-C 3.52Å; C178-A181 WeakPolarHBondContact O-CB 3.32Å; C178-A181 PolarHBondContact O-N 2.9Å; M179-A181 PolarHBondContact O-N 3Å; A181-D183 VanDerWaalsContact C-N 3.34Å; A181-C184 VanDerWaalsContact O-CB 3.31Å; A181-C184 WeakPolarHBondContact O-CB 3.22Å; A181-C184 PolarHBondContact O-N 3.34Å
182F98.9Very high98.3Very high1 Ų124.4 Ų24.40%0.00412%0.119CC..Hα-helixtrans-67-35.4177.5-69.2-5.7000111.9V120 V130 W134 R148 E152 F162 C178 M179 C184 L185V120-F182 HydrophobicContact CG1-CE2 4.27Å; V120-F182 HydrophobicContact CG1-CZ 3.78Å; V120-F182 HydrophobicContact CG2-CE2 4.16Å; V120-F182 HydrophobicContact CG2-CZ 4.45Å; V130-F182 HydrophobicContact CG1-CE1 4.33Å; V130-F182 HydrophobicContact CG2-CE1 4.07Å; V130-F182 HydrophobicContact CG2-CZ 3.86Å; W134-F182 AromaticContact CH2-CD1 3.77Å; W134-F182 HydrophobicContact CH2-CD1 3.77Å; W134-F182 AromaticContact CH2-CE1 3.61Å; W134-F182 HydrophobicContact CH2-CE1 3.61Å; W134-F182 AromaticContact CZ2-CD1 3.84Å; W134-F182 HydrophobicContact CZ2-CD1 3.84Å; W134-F182 AromaticContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ2-CE1 3.96Å; W134-F182 HydrophobicContact CZ3-CE1 4.34Å; R148-F182 PolarHBondContact NE-O 2.88Å; E152-F182 HydrophobicContact CB-CB 3.97Å; E152-F182 HydrophobicContact CB-CD1 4.4Å; E152-F182 HydrophobicContact CB-CD2 3.76Å; E152-F182 HydrophobicContact CB-CE2 4.31Å; E152-F182 HydrophobicContact CB-CG 3.8Å; E152-F182 HydrophobicContact CG-CB 4.46Å; E152-F182 HydrophobicContact CG-CD1 3.96Å; E152-F182 HydrophobicContact CG-CD2 3.85Å; E152-F182 HydrophobicContact CG-CE1 4.1Å; E152-F182 HydrophobicContact CG-CE2 3.97Å; E152-F182 HydrophobicContact CG-CG 3.83Å; E152-F182 HydrophobicContact CG-CZ 4.1Å; F162-F182 HydrophobicContact CD1-CE2 4.33Å; F162-F182 AromaticContact CE1-CE2 3.77Å; F162-F182 HydrophobicContact CE1-CE2 3.77Å; F162-F182 AromaticContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CE1-CZ 3.84Å; F162-F182 HydrophobicContact CZ-CZ 4.22Å; C178-F182 HydrophobicContact CB-CE1 4.47Å; C178-F182 HydrophobicContact CB-CZ 4.27Å; C178-F182 WeakPolarHBondContact O-CB 3Å; C178-F182 WeakPolarHBondContact O-CD1 3.32Å; C178-F182 WeakPolarHBondContact O-CG 3.41Å; C178-F182 PolarHBondContact O-N 3.37Å; M179-F182 HydrophobicContact CE-CD2 3.51Å; M179-F182 HydrophobicContact CE-CE2 3.46Å; M179-F182 VanDerWaalsContact CE-CE2 3.46Å; M179-F182 PolarHBondContact O-N 3.24Å; M179-F182 HydrophobicContact SD-CD2 4.37Å; F182-C184 PolarHBondContact O-N 3.02Å; F182-C184 VanDerWaalsContact O-N 3.1Å; F182-L185 HydrophobicContact CB-CD1 4.25Å; F182-L185 HydrophobicContact CD1-CD1 4.05Å; F182-L185 HydrophobicContact CG-CD1 4.39Å; F182-L185 WeakPolarHBondContact O-CB 3.38Å; F182-L185 PolarHBondContact O-N 2.88Å; F182-L185 VanDerWaalsContact O-N 3.09Å
183D98.9Very high97.9Very high17 Ų1726.1 Ų26.19%0.09113%0.127CC..THydrogen-bonded Turntrans-61.5-15.4170.1-70.7-13.6000113.6R148 R154 M179 A181 F218 K219 E220R148-D183 IonicContact CZ-OD1 3.8Å; R148-D183 IonicContact NH1-OD1 3.91Å; R148-D183 PolarHBondContact NH1-OD1 3.09Å; R148-D183 IonicContact NH2-OD1 3.7Å; R148-D183 PolarHBondContact NH2-OD1 2.93Å; R154-D183 IonicContact CZ-OD2 3.77Å; R154-D183 VanDerWaalsContact CZ-OD2 3.23Å; R154-D183 VanDerWaalsContact NH1-CG 3.33Å; R154-D183 IonicContact NH1-OD1 3.88Å; R154-D183 PolarHBondContact NH1-OD1 3.29Å; R154-D183 VanDerWaalsContact NH1-OD1 3.1Å; R154-D183 IonicContact NH1-OD2 2.87Å; R154-D183 PolarHBondContact NH1-OD2 3.05Å; R154-D183 IonicContact NH2-OD2 3.65Å; R154-D183 PolarHBondContact NH2-OD2 3.2Å; M179-D183 PolarHBondContact O-N 3.03Å; A181-D183 VanDerWaalsContact C-N 3.34Å; D183-F218 WeakPolarHBondContact O-CA 3.29Å; D183-F218 WeakPolarHBondContact O-CD1 3.32Å; D183-K219 VanDerWaalsContact OD1-O 3.06Å; D183-E220 PolarHBondContact OD1-N 2.87Å
184C98.9Very high97.3Very high3 Ų322.4 Ų22.42%0.0212%0.116CC..THydrogen-bonded Turntrans-90.8-13.7176.6-58.90000113.8L72 R73 D180 A181 F182 R217L72-C184 CarbonylContact C-O 3.53Å; L72-C184 HydrophobicContact CB-CB 3.97Å; R73-C184 HydrophobicContact CB-CB 4.15Å; R73-C184 VanDerWaalsContact CZ-SG 3.57Å; R73-C184 PolarHBondContact NE-SG 3.26Å; R73-C184 PolarHBondContact NH2-SG 3.28Å; D180-C184 PolarHBondContact O-SG 3.33Å; A181-C184 VanDerWaalsContact O-CB 3.31Å; A181-C184 WeakPolarHBondContact O-CB 3.22Å; A181-C184 PolarHBondContact O-N 3.34Å; F182-C184 PolarHBondContact O-N 3.02Å; F182-C184 VanDerWaalsContact O-N 3.1Å; C184-R217 PolarHBondContact O-NE 3.48Å; C184-R217 PolarHBondContact O-NH2 3.44Å
185L99Very high97.1Very high0 Ų022.8 Ų22.80%012%0.117CC..SBendtrans-62.8132.9-176.5-73.3163.2000111.6L72 Y119 W134 L146 R148 E152 F182 R217L72-L185 HydrophobicContact CD1-CD2 3.68Å; L72-L185 HydrophobicContact CD1-CG 4.26Å; L72-L185 HydrophobicContact CD2-CD2 4.1Å; Y119-L185 HydrophobicContact CE2-CD1 4.28Å; W134-L185 HydrophobicContact CH2-CD1 4.18Å; W134-L185 HydrophobicContact CH2-CD2 4.01Å; W134-L185 HydrophobicContact CH2-CG 4.41Å; W134-L185 HydrophobicContact CZ2-CD2 4.27Å; L146-L185 HydrophobicContact CB-CD2 3.75Å; R148-L185 HydrophobicContact CB-CB 3.68Å; R148-L185 HydrophobicContact CB-CD1 4.23Å; R148-L185 HydrophobicContact CG-CB 4.06Å; R148-L185 HydrophobicContact CG-CD1 4.03Å; E152-L185 HydrophobicContact CB-CD1 3.94Å; E152-L185 HydrophobicContact CG-CD1 3.68Å; F182-L185 HydrophobicContact CB-CD1 4.25Å; F182-L185 HydrophobicContact CD1-CD1 4.05Å; F182-L185 HydrophobicContact CG-CD1 4.39Å; F182-L185 WeakPolarHBondContact O-CB 3.38Å; F182-L185 PolarHBondContact O-N 2.88Å; F182-L185 VanDerWaalsContact O-N 3.09Å; L185-R217 WeakPolarHBondContact O-CD 3.2Å; L185-R217 PolarHBondContact O-NE 2.99Å
186P98.9Very high97.1Very high0 Ų022.4 Ų22.40%012%0.116CC..  trans-52.4152.3165.6-28.736.4000113.2E75 K76 L79 L146 L147 R148E75-P186 HydrophobicContact CB-CG 4.05Å; K76-P186 WeakPolarHBondContact O-CB 3.44Å; L79-P186 HydrophobicContact CD1-CB 4.13Å; L79-P186 HydrophobicContact CD1-CG 4.13Å; L79-P186 HydrophobicContact CD2-CB 4.08Å; L79-P186 HydrophobicContact CD2-CG 3.78Å; L79-P186 HydrophobicContact CG-CB 3.91Å; L79-P186 HydrophobicContact CG-CG 4.08Å; L146-P186 WeakPolarHBondContact O-CD 3.43Å; L147-P186 CarbonylContact C-O 3.59Å; L147-P186 WeakPolarHBondContact CA-O 3.43Å; L147-P186 HydrophobicContact CD2-CB 3.89Å; R148-P186 PolarHBondContact N-O 2.79Å
187L99Very high97Very high0 Ų018.7 Ų18.70%010%0.096CC..SBendtrans-94.8-24.7-178.5-59.6-178.6000112.7N77 R148 L215 R217 M227 I230N77-L187 PolarHBondContact O-N 2.79Å; R148-L187 HydrophobicContact CB-CD2 4.34Å; L187-L215 HydrophobicContact CD1-CB 4.48Å; L187-L215 HydrophobicContact CD1-CD1 3.83Å; L187-R217 HydrophobicContact CD1-CB 3.82Å; L187-R217 HydrophobicContact CD2-CB 4.19Å; L187-R217 HydrophobicContact CG-CB 3.93Å; L187-M227 HydrophobicContact CD1-CG 4.19Å; L187-M227 HydrophobicContact CD2-CE 4.37Å; L187-M227 HydrophobicContact CD2-CG 4.46Å; L187-I230 HydrophobicContact CB-CD1 4.29Å; L187-I230 HydrophobicContact CB-CG2 4.25Å; L187-I230 HydrophobicContact CD1-CD1 4.2Å; L187-I230 VanDerWaalsContact O-CG2 3.31Å; L187-I230 WeakPolarHBondContact O-CG2 3.11Å
188A98.9Very high97Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-153.7165.6-174.900000112.3N77 L78 L79 L147 L196 C197 V198 I212N77-A188 PolarHBondContact O-N 2.93Å; L78-A188 WeakPolarHBondContact CA-O 3.48Å; L78-A188 HydrophobicContact CD1-CB 3.5Å; L79-A188 PolarHBondContact N-O 2.82Å; L147-A188 WeakPolarHBondContact CD2-O 3.26Å; A188-L196 HydrophobicContact CB-CD1 4.02Å; A188-C197 CarbonylContact C-O 3.48Å; A188-C197 WeakPolarHBondContact CA-O 3.32Å; A188-V198 HydrophobicContact CB-CG1 3.77Å; A188-I212 HydrophobicContact CB-CD1 4.27Å; A188-I212 HydrophobicContact CB-CG2 4.01Å
189A98.9Very high97Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-131.6143.5162.900000111.6L78 L79 I81 L114 L147 C197L78-A189 VanDerWaalsContact CD1-C 3.5Å; L79-A189 HydrophobicContact CB-CB 3.86Å; L79-A189 HydrophobicContact CD1-CB 4.47Å; I81-A189 HydrophobicContact CD1-CB 3.6Å; I81-A189 HydrophobicContact CG1-CB 4.19Å; L114-A189 HydrophobicContact CD1-CB 4.2Å; L114-A189 HydrophobicContact CD2-CB 4Å; L147-A189 HydrophobicContact CD2-CB 4.41Å; A189-C197 HydrophobicContact CB-CB 4.18Å; A189-C197 PolarHBondContact N-O 2.81Å; A189-C197 PolarHBondContact O-N 2.85Å
190L98.6Very high97Very high5 Ų517.9 Ų17.93%0.0269%0.09CC..EExtended strand (participates in β ladder)trans-94.9102.3163.917957.9000107.5L78 L79 I81 Q193 F195 L209 L274L78-L190 HydrophobicContact CD1-CB 4.16Å; L78-L190 HydrophobicContact CD2-CB 4.39Å; L78-L190 HydrophobicContact CG-CB 4.26Å; L79-L190 PolarHBondContact O-N 2.82Å; I81-L190 PolarHBondContact N-O 2.93Å; L190-Q193 VanDerWaalsContact CD2-OE1 3.23Å; L190-F195 WeakPolarHBondContact CA-O 3.31Å; L190-L209 HydrophobicContact CD1-CD1 4.12Å; L190-L209 HydrophobicContact CD2-CD1 4.05Å; L190-L274 HydrophobicContact CD1-CD2 3.6Å
191M93.3Very high97Very high4 Ų413.6 Ų13.62%0.027%0.067CC..EExtended strand (participates in β ladder)trans-94.3127.2-175.6-172.3-79.9-75.500110.4I81 V85 Q193 Q194 F195 L278 V326I81-M191 HydrophobicContact CG2-CG 4.47Å; I81-M191 CarbonylContact O-C 3.56Å; I81-M191 WeakPolarHBondContact O-CA 3.45Å; V85-M191 HydrophobicContact CG1-CG 3.49Å; V85-M191 VanDerWaalsContact CG1-CG 3.49Å; V85-M191 HydrophobicContact CG1-SD 3.82Å; M191-Q193 PolarHBondContact O-N 3.22Å; M191-Q194 PolarHBondContact O-N 3.28Å; M191-F195 HydrophobicContact CB-CB 4.26Å; M191-F195 HydrophobicContact CE-CB 3.99Å; M191-F195 HydrophobicContact CE-CD2 3.32Å; M191-F195 HydrophobicContact CE-CE2 3.93Å; M191-F195 HydrophobicContact CE-CG 3.7Å; M191-F195 PolarHBondContact N-O 2.93Å; M191-F195 PolarHBondContact O-N 2.93Å; M191-F195 HydrophobicContact SD-CD2 4Å; M191-L278 HydrophobicContact CE-CD1 3.88Å; M191-V326 HydrophobicContact CE-CG2 3.77Å
192N92.7Very high97Very high61 Ų6113.8 Ų13.833%0.3267%0.068SC..THydrogen-bonded Turntrans49.925-177.6-153.258.1000115.6I81 A83 Q194I81-N192 PolarHBondContact O-N 3.04Å; A83-N192 HydrophobicContact CB-CB 4.07Å; A83-N192 WeakPolarHBondContact CB-OD1 3.44Å; A83-N192 PolarHBondContact N-OD1 3.46Å; N192-Q194 PolarHBondContact ND2-OE1 2.89Å; N192-Q194 PolarHBondContact O-N 3.05Å; N192-Q194 VanDerWaalsContact O-N 3.15Å
193Q90.8Very high97Very high109 Ų10913.7 Ų13.751%0.5097%0.068SC..THydrogen-bonded Turntrans54.823.4-170.4-53.5-63.9-52.200113.9D80 L190 M191D80-Q193 PolarHBondContact OD1-NE2 2.95Å; L190-Q193 VanDerWaalsContact CD2-OE1 3.23Å; M191-Q193 PolarHBondContact O-N 3.22Å
194Q84.7Confident97Very high74 Ų7415.1 Ų15.135%0.3468%0.078SC..THydrogen-bonded Turntrans-128-30.2-175.5-74178.4-6500113.4M191 N192 L275M191-Q194 PolarHBondContact O-N 3.28Å; N192-Q194 PolarHBondContact ND2-OE1 2.89Å; N192-Q194 PolarHBondContact O-N 3.05Å; N192-Q194 VanDerWaalsContact O-N 3.15Å; Q194-L275 HydrophobicContact CB-CB 4.24Å; Q194-L275 PolarHBondContact O-N 2.84Å
195F94.7Very high97Very high7 Ų720.2 Ų20.23%0.03110%0.101CC..EExtended strand (participates in β ladder)trans-122.3130.2-172.1-59.2-92.6000110.8L190 M191 L275 S276 L278 F299 V326L190-F195 WeakPolarHBondContact CA-O 3.31Å; M191-F195 HydrophobicContact CB-CB 4.26Å; M191-F195 HydrophobicContact CE-CB 3.99Å; M191-F195 HydrophobicContact CE-CD2 3.32Å; M191-F195 HydrophobicContact CE-CE2 3.93Å; M191-F195 HydrophobicContact CE-CG 3.7Å; M191-F195 PolarHBondContact N-O 2.93Å; M191-F195 PolarHBondContact O-N 2.93Å; M191-F195 HydrophobicContact SD-CD2 4Å; F195-L275 HydrophobicContact CE1-CD2 4.31Å; F195-L275 HydrophobicContact CE1-CG 4.44Å; F195-L275 HydrophobicContact CE2-CD2 4.33Å; F195-L275 HydrophobicContact CZ-CD2 3.72Å; F195-L275 HydrophobicContact CZ-CG 4.32Å; F195-S276 WeakPolarHBondContact CA-O 3.49Å; F195-L278 HydrophobicContact CB-CD1 4.29Å; F195-L278 HydrophobicContact CB-CG 4.25Å; F195-L278 HydrophobicContact CD1-CD1 4.18Å; F195-L278 HydrophobicContact CD1-CD2 4.01Å; F195-L278 HydrophobicContact CD1-CG 3.94Å; F195-L278 HydrophobicContact CE1-CD2 4.48Å; F195-L278 HydrophobicContact CG-CD1 4.31Å; F195-L278 HydrophobicContact CG-CG 4.38Å; F195-F299 AromaticContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CZ 4.17Å; F195-F299 HydrophobicContact CZ-CE1 4.4Å; F195-F299 HydrophobicContact CZ-CZ 4.38Å; F195-V326 HydrophobicContact CD1-CG1 4.48Å; F195-V326 HydrophobicContact CE1-CG1 3.66Å; F195-V326 HydrophobicContact CE2-CG1 3.96Å; F195-V326 HydrophobicContact CZ-CB 4.47Å; F195-V326 HydrophobicContact CZ-CG1 3.36Å
196L98.6Very high97Very high1 Ų120.5 Ų20.51%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-82.2124.6160.3174.960.8000108L78 A188 V198 L202 L209 I212 F268 L274 S276 I277 L278L78-L196 HydrophobicContact CD1-CD1 4.03Å; A188-L196 HydrophobicContact CB-CD1 4.02Å; L196-V198 HydrophobicContact CD1-CG1 3.97Å; L196-V198 HydrophobicContact CD2-CG1 4.4Å; L196-V198 HydrophobicContact CG-CG1 4.05Å; L196-L202 HydrophobicContact CD2-CD2 4.37Å; L196-L209 HydrophobicContact CD1-CD2 4.02Å; L196-I212 HydrophobicContact CD1-CD1 3.92Å; L196-I212 HydrophobicContact CD2-CD1 4.35Å; L196-F268 HydrophobicContact CD2-CE1 3.59Å; L196-F268 HydrophobicContact CD2-CZ 3.89Å; L196-L274 HydrophobicContact CB-CD1 3.89Å; L196-S276 PolarHBondContact N-O 2.77Å; L196-I277 HydrophobicContact CB-CG1 4.5Å; L196-I277 CarbonylContact O-C 3.59Å; L196-I277 WeakPolarHBondContact O-CA 3.46Å; L196-L278 PolarHBondContact O-N 3.27Å
197C98.7Very high97Very high0 Ų024.9 Ų24.90%013%0.126CC..EExtended strand (participates in β ladder)trans-112.5124.1176-55.20000109.4L114 L116 L147 A188 A189 L278L114-C197 HydrophobicContact CD2-CB 3.74Å; L116-C197 HydrophobicContact CD2-CB 3.83Å; L147-C197 WeakPolarHBondContact CD1-O 3.36Å; A188-C197 CarbonylContact C-O 3.48Å; A188-C197 WeakPolarHBondContact CA-O 3.32Å; A189-C197 HydrophobicContact CB-CB 4.18Å; A189-C197 PolarHBondContact N-O 2.81Å; A189-C197 PolarHBondContact O-N 2.85Å; C197-L278 WeakPolarHBondContact CA-O 3.43Å
198V98.9Very high97Very high1 Ų126.5 Ų26.51%0.00614%0.136CC..  trans-145.1175.3-176.9-73.40000109.7A188 L196 I230 I277 L278 R279A188-V198 HydrophobicContact CB-CG1 3.77Å; L196-V198 HydrophobicContact CD1-CG1 3.97Å; L196-V198 HydrophobicContact CD2-CG1 4.4Å; L196-V198 HydrophobicContact CG-CG1 4.05Å; V198-I230 HydrophobicContact CB-CG2 4.21Å; V198-I230 HydrophobicContact CG1-CG2 3.97Å; V198-I277 HydrophobicContact CG2-CG2 4.15Å; V198-L278 PolarHBondContact N-O 2.91Å; V198-L278 VanDerWaalsContact N-O 3.1Å; V198-R279 HydrophobicContact CG2-CB 4.19Å; V198-R279 WeakPolarHBondContact O-CA 3.42Å
199H98.9Very high96.9Very high0 Ų027.2 Ų27.20%014%0.14CC..SBendtrans-83.6-63.8173-168.663.4000112.2D90 D118 G149 N150 L231 R279 A280 H281D90-H199 IonicContact OD1-CE1 2.71Å; D90-H199 PolarHBondContact OD1-CE1 2.84Å; D90-H199 IonicContact OD1-ND1 2.76Å; D118-H199 IonicContact OD1-CE1 2.66Å; D118-H199 IonicContact OD1-NE2 3.71Å; D118-H199 PolarHBondContact OD1-NE2 3.44Å; D118-H199 IonicContact OD2-CE1 2.8Å; D118-H199 PolarHBondContact OD2-CE1 2.98Å; D118-H199 IonicContact OD2-NE2 2.78Å; D118-H199 PolarHBondContact OD2-NE2 3.4Å; G149-H199 VanDerWaalsContact CA-CD2 3.41Å; G149-H199 WeakPolarHBondContact CA-CD2 3.08Å; G149-H199 VanDerWaalsContact CA-CG 3.45Å; N150-H199 PolarHBondContact N-CD2 3.35Å; N150-H199 PolarHBondContact OD1-CD2 3.07Å; N150-H199 VanDerWaalsContact OD1-CD2 3.27Å; N150-H199 PolarHBondContact OD1-NE2 3.32Å; H199-L231 HydrophobicContact CB-CD2 4.44Å; H199-R279 WeakPolarHBondContact O-CB 3.45Å; H199-A280 PolarHBondContact O-N 3.48Å; H199-H281 AromaticContact CD2-CG 3.94Å; H199-H281 AromaticContact CD2-ND1 3.78Å; H199-H281 AromaticContact NE2-CG 3.89Å; H199-H281 AromaticContact NE2-ND1 3.51Å
200G98.8Very high96.9Very high0 Ų031.1 Ų31.10%016%0.161CC..SBendtrans-84.2-69.6179.100000112.4I230 S233 Y260 R279G200-I230 WeakPolarHBondContact CA-O 3.47Å; G200-I230 PolarHBondContact N-O 2.87Å; G200-S233 CarbonylContact C-O 3.52Å; G200-S233 WeakPolarHBondContact CA-O 3.46Å; G200-Y260 PolarHBondContact O-OH 3.09Å; G200-R279 PolarHBondContact O-NE 2.79Å; G200-R279 PolarHBondContact O-NH2 3.46Å; G200-R279 VanDerWaalsContact O-NH2 3.16Å
201G98.7Very high97Very high2 Ų232.4 Ų32.42%0.02117%0.168CC..  trans161-130.8-174.900000116.2I230 S233G201-I230 PolarHBondContact N-O 2.89Å; G201-S233 VanDerWaalsContact CA-OG 3.22Å; G201-S233 WeakPolarHBondContact CA-OG 3.49Å; G201-S233 PolarHBondContact N-OG 3.21Å
202L98.8Very high97.2Very high4 Ų432.3 Ų32.32%0.02117%0.167CC..  trans-97.7156.9-171.8-66.3178.2000113.1L196 S233 F248 Y260 V265 F268 I277L196-L202 HydrophobicContact CD2-CD2 4.37Å; L202-S233 PolarHBondContact N-OG 3.42Å; L202-S233 VanDerWaalsContact N-OG 3.12Å; L202-S233 WeakPolarHBondContact O-CB 3.4Å; L202-S233 PolarHBondContact O-OG 2.8Å; L202-S233 VanDerWaalsContact O-OG 3.07Å; L202-F248 HydrophobicContact CB-CE1 3.86Å; L202-F248 HydrophobicContact CB-CZ 4.07Å; L202-Y260 HydrophobicContact CB-CD1 4.2Å; L202-Y260 HydrophobicContact CB-CG 4.35Å; L202-V265 HydrophobicContact CD1-CB 4.45Å; L202-V265 HydrophobicContact CD1-CG2 3.83Å; L202-F268 HydrophobicContact CD1-CB 4.01Å; L202-F268 HydrophobicContact CD1-CG 4.26Å; L202-F268 HydrophobicContact CD2-CB 4.38Å; L202-F268 HydrophobicContact CD2-CD1 3.77Å; L202-F268 HydrophobicContact CD2-CD2 3.88Å; L202-F268 HydrophobicContact CD2-CE1 3.99Å; L202-F268 HydrophobicContact CD2-CE2 4.09Å; L202-F268 HydrophobicContact CD2-CG 3.72Å; L202-F268 HydrophobicContact CD2-CZ 4.15Å; L202-I277 HydrophobicContact CD1-CD1 3.85Å; L202-I277 HydrophobicContact CD2-CD1 3.76Å; L202-I277 HydrophobicContact CG-CD1 3.79Å
203S98.9Very high97.5Very high0 Ų034.3 Ų34.30%017%0.17CC..  trans-120.8146.2172.7-178.70000110E205 I206 D229 F248S203-E205 PolarHBondContact O-N 3.31Å; S203-E205 PolarHBondContact OG-N 3.35Å; S203-I206 PolarHBondContact O-N 2.81Å; S203-I206 VanDerWaalsContact O-N 3.12Å; S203-D229 WeakPolarHBondContact CB-OD2 3.47Å; S203-D229 PolarHBondContact OG-OD2 2.79Å; S203-F248 WeakPolarHBondContact O-CZ 3.47Å
204P98.6Very high97.9Very high46 Ų4635.8 Ų35.830%0.29918%0.175SC..THydrogen-bonded Turntrans-60.4-19.3164.926.7-34.7000113F248 Y258P204-F248 HydrophobicContact CB-CD2 3.8Å; P204-F248 HydrophobicContact CB-CE2 4.13Å; P204-F248 HydrophobicContact CB-CG 4.06Å; P204-F248 HydrophobicContact CG-CG 4.41Å; P204-Y258 HydrophobicContact CG-CD2 3.95Å; P204-Y258 HydrophobicContact CG-CE2 3.68Å
205E98.7Very high98.6Very high110 Ų11034 Ų3451%0.51417%0.167SC..THydrogen-bonded Turntrans-94.36177-61.7-176.8-117.900113.7S203 G225 P226S203-E205 PolarHBondContact O-N 3.31Å; S203-E205 PolarHBondContact OG-N 3.35Å; E205-G225 WeakPolarHBondContact OE1-CA 3.38Å; E205-P226 HydrophobicContact CB-CB 4.19Å; E205-P226 HydrophobicContact CB-CG 4.18Å
206I98.8Very high98.8Very high6 Ų637.8 Ų37.83%0.03119%0.188CC..  trans-124.795177.7-60.6168.5000109.1S203 D211 I212 P226 I230 F268S203-I206 PolarHBondContact O-N 2.81Å; S203-I206 VanDerWaalsContact O-N 3.12Å; I206-D211 HydrophobicContact CG1-CB 4.48Å; I206-D211 HydrophobicContact CG2-CB 4.24Å; I206-I212 HydrophobicContact CD1-CG1 4.34Å; I206-I212 HydrophobicContact CG2-CD1 4.27Å; I206-I212 HydrophobicContact CG2-CG1 3.71Å; I206-P226 HydrophobicContact CD1-CB 3.71Å; I206-P226 HydrophobicContact CG1-CB 3.69Å; I206-I230 HydrophobicContact CD1-CD1 3.58Å; I206-I230 HydrophobicContact CD1-CG1 3.55Å; I206-F268 HydrophobicContact CG2-CE2 4.16Å; I206-F268 WeakPolarHBondContact O-CE2 3.41Å
207N98.5Very high98.8Very high92 Ų9237.9 Ų37.949%0.49219%0.188SC..  trans-96-26176.4-47112.8000111.6D211 F268 N272N207-D211 PolarHBondContact N-OD2 3.45Å; N207-F268 WeakPolarHBondContact O-CE2 3.43Å; N207-N272 PolarHBondContact O-ND2 3.18Å
208T98.8Very high98.8Very high35 Ų3542.3 Ų42.322%0.21521%0.208CC..SBendtrans-125.6154.8-178.971.90000112.9D210 D211 N272T208-D210 PolarHBondContact O-N 3.3Å; T208-D210 PolarHBondContact OG1-N 3.11Å; T208-D211 WeakPolarHBondContact CA-OD2 3.42Å; T208-D211 WeakPolarHBondContact CB-OD2 3.45Å; T208-D211 PolarHBondContact N-OD2 3Å; T208-D211 WeakPolarHBondContact O-CB 3.29Å; T208-D211 PolarHBondContact O-N 3.16Å; T208-D211 PolarHBondContact OG1-N 2.74Å; T208-D211 PolarHBondContact OG1-OD2 2.77Å; T208-N272 VanDerWaalsContact CA-OD1 3.28Å; T208-N272 WeakPolarHBondContact CA-OD1 3.47Å
209L98.7Very high98.8Very high14 Ų1445.9 Ų45.97%0.07322%0.223CC..Hα-helixtrans-58.7-23.2168.2-67.4177.1000113.3L78 L190 L196 D211 I212 R213 F268 N272 L274L78-L209 HydrophobicContact CD2-CB 3.92Å; L78-L209 HydrophobicContact CD2-CD2 4.01Å; L78-L209 HydrophobicContact CD2-CG 4.4Å; L190-L209 HydrophobicContact CD1-CD1 4.12Å; L190-L209 HydrophobicContact CD2-CD1 4.05Å; L196-L209 HydrophobicContact CD1-CD2 4.02Å; L209-D211 VanDerWaalsContact C-N 3.33Å; L209-I212 HydrophobicContact CD2-CD1 4.28Å; L209-R213 WeakPolarHBondContact O-CG 3.24Å; L209-R213 PolarHBondContact O-N 3.1Å; L209-F268 HydrophobicContact CD2-CZ 4.33Å; L209-N272 HydrophobicContact CD1-CB 4.48Å; L209-N272 HydrophobicContact CG-CB 4.3Å; L209-N272 PolarHBondContact N-OD1 3.3Å; L209-L274 HydrophobicContact CD1-CD1 4.49Å; L209-L274 HydrophobicContact CD1-CD2 4.43Å; L209-L274 HydrophobicContact CD2-CD1 4.35Å
210D98.8Very high98.7Very high82 Ų8248.1 Ų48.144%0.43923%0.233SC..Hα-helixtrans-72.5-23.4173.5-81-32.1000113T208 R213 K214T208-D210 PolarHBondContact O-N 3.3Å; T208-D210 PolarHBondContact OG1-N 3.11Å; D210-R213 WeakPolarHBondContact O-CB 3.25Å; D210-R213 PolarHBondContact O-N 3.47Å; D210-R213 VanDerWaalsContact OD1-CD 3.31Å; D210-R213 WeakPolarHBondContact OD1-CD 3.41Å; D210-R213 IonicContact OD1-CZ 3.68Å; D210-R213 IonicContact OD1-NE 3.89Å; D210-R213 IonicContact OD1-NH1 2.71Å; D210-R213 PolarHBondContact OD1-NH1 3.22Å; D210-K214 WeakPolarHBondContact O-CD 3.41Å; D210-K214 WeakPolarHBondContact O-CE 3.14Å; D210-K214 VanDerWaalsContact O-CG 3.24Å; D210-K214 WeakPolarHBondContact O-CG 3.48Å; D210-K214 PolarHBondContact O-N 3.44Å
211D98.9Very high98.7Very high32 Ų3248.3 Ų48.317%0.17124%0.235CC..Hα-helixtrans-68.3-40.4177-57.3-46.5000111.1I206 N207 T208 L209 R213 K214 L215I206-D211 HydrophobicContact CG1-CB 4.48Å; I206-D211 HydrophobicContact CG2-CB 4.24Å; N207-D211 PolarHBondContact N-OD2 3.45Å; T208-D211 WeakPolarHBondContact CA-OD2 3.42Å; T208-D211 WeakPolarHBondContact CB-OD2 3.45Å; T208-D211 PolarHBondContact N-OD2 3Å; T208-D211 WeakPolarHBondContact O-CB 3.29Å; T208-D211 PolarHBondContact O-N 3.16Å; T208-D211 PolarHBondContact OG1-N 2.74Å; T208-D211 PolarHBondContact OG1-OD2 2.77Å; L209-D211 VanDerWaalsContact C-N 3.33Å; D211-R213 VanDerWaalsContact C-N 3.26Å; D211-R213 PolarHBondContact O-N 3.13Å; D211-K214 PolarHBondContact O-N 2.67Å; D211-K214 VanDerWaalsContact O-N 3.14Å; D211-K214 IonicContact OD1-NZ 2.59Å; D211-K214 PolarHBondContact OD1-NZ 2.86Å; D211-L215 WeakPolarHBondContact O-CG 3.24Å; D211-L215 PolarHBondContact O-N 3Å
212I98.9Very high98.7Very high2 Ų250 Ų501%0.0125%0.246CC..Hα-helixtrans-58.7-39.4170.2-51.1177.5000111N77 L78 A188 L196 I206 L209 K214 I230N77-I212 HydrophobicContact CB-CG2 4.4Å; N77-I212 WeakPolarHBondContact CB-O 3.2Å; N77-I212 PolarHBondContact ND2-O 3.43Å; L78-I212 HydrophobicContact CB-CG2 4.17Å; A188-I212 HydrophobicContact CB-CD1 4.27Å; A188-I212 HydrophobicContact CB-CG2 4.01Å; L196-I212 HydrophobicContact CD1-CD1 3.92Å; L196-I212 HydrophobicContact CD2-CD1 4.35Å; I206-I212 HydrophobicContact CD1-CG1 4.34Å; I206-I212 HydrophobicContact CG2-CD1 4.27Å; I206-I212 HydrophobicContact CG2-CG1 3.71Å; L209-I212 HydrophobicContact CD2-CD1 4.28Å; I212-K214 VanDerWaalsContact C-N 3.32Å; I212-K214 PolarHBondContact O-N 2.83Å; I212-I230 HydrophobicContact CG2-CD1 4.32Å
213R98.8Very high98.6Very high104 Ų10451.5 Ų51.539%0.39226%0.258SS..Hα-helixtrans-70.3-24179.3-64.8171.7-172.8131.62.9113.2L78 L209 D210 D211L78-R213 HydrophobicContact CB-CG 4.14Å; L78-R213 HydrophobicContact CD2-CG 4.35Å; L209-R213 WeakPolarHBondContact O-CG 3.24Å; L209-R213 PolarHBondContact O-N 3.1Å; D210-R213 WeakPolarHBondContact O-CB 3.25Å; D210-R213 PolarHBondContact O-N 3.47Å; D210-R213 VanDerWaalsContact OD1-CD 3.31Å; D210-R213 WeakPolarHBondContact OD1-CD 3.41Å; D210-R213 IonicContact OD1-CZ 3.68Å; D210-R213 IonicContact OD1-NE 3.89Å; D210-R213 IonicContact OD1-NH1 2.71Å; D210-R213 PolarHBondContact OD1-NH1 3.22Å; D211-R213 VanDerWaalsContact C-N 3.26Å; D211-R213 PolarHBondContact O-N 3.13Å
214K98.7Very high98.5Very high140 Ų14060 Ų6061%0.60929%0.292SS*.Hα-helixtrans-81.8-19.5178.5-68159.3-157.5150.70114D210 D211 I212D210-K214 WeakPolarHBondContact O-CD 3.41Å; D210-K214 WeakPolarHBondContact O-CE 3.14Å; D210-K214 VanDerWaalsContact O-CG 3.24Å; D210-K214 WeakPolarHBondContact O-CG 3.48Å; D210-K214 PolarHBondContact O-N 3.44Å; D211-K214 PolarHBondContact O-N 2.67Å; D211-K214 VanDerWaalsContact O-N 3.14Å; D211-K214 IonicContact OD1-NZ 2.59Å; D211-K214 PolarHBondContact OD1-NZ 2.86Å; I212-K214 VanDerWaalsContact C-N 3.32Å; I212-K214 PolarHBondContact O-N 2.83Å
215L98.7Very high98.5Very high35 Ų3558.2 Ų58.218%0.18328%0.281CS..  trans-62.3141.5-176.8-56.8-178.4000111.8N77 L187 D211 P226 I230N77-L215 PolarHBondContact ND2-O 2.83Å; L187-L215 HydrophobicContact CD1-CB 4.48Å; L187-L215 HydrophobicContact CD1-CD1 3.83Å; D211-L215 WeakPolarHBondContact O-CG 3.24Å; D211-L215 PolarHBondContact O-N 3Å; L215-P226 HydrophobicContact CD1-CB 4.33Å; L215-P226 HydrophobicContact CD2-CB 4.01Å; L215-P226 HydrophobicContact CD2-CG 3.69Å; L215-I230 HydrophobicContact CD1-CD1 3.68Å
216D98.8Very high98.5Very high87 Ų8754.1 Ų54.147%0.46526%0.264SS..  trans-83.5122.8155.116343.6000108.3F218 K219D216-F218 PolarHBondContact OD1-N 3.47Å; D216-K219 WeakPolarHBondContact O-CE 3.35Å; D216-K219 PolarHBondContact O-NZ 3.09Å; D216-K219 IonicContact OD2-NZ 2.74Å; D216-K219 PolarHBondContact OD2-NZ 2.86Å
217R98.8Very high98.5Very high4 Ų454.2 Ų54.22%0.01526%0.264CS..  trans-104.8-8.418077.3176.4-163.5-93.13.7114.6L72 E75 N77 C184 L185 L187 K219 M227L72-R217 PolarHBondContact O-NH2 3.03Å; E75-R217 VanDerWaalsContact O-CZ 3.29Å; E75-R217 PolarHBondContact O-NH1 2.84Å; E75-R217 PolarHBondContact O-NH2 2.9Å; N77-R217 WeakPolarHBondContact OD1-CD 3.38Å; N77-R217 PolarHBondContact OD1-NH1 2.87Å; C184-R217 PolarHBondContact O-NE 3.48Å; C184-R217 PolarHBondContact O-NH2 3.44Å; L185-R217 WeakPolarHBondContact O-CD 3.2Å; L185-R217 PolarHBondContact O-NE 2.99Å; L187-R217 HydrophobicContact CD1-CB 3.82Å; L187-R217 HydrophobicContact CD2-CB 4.19Å; L187-R217 HydrophobicContact CG-CB 3.93Å; R217-K219 PolarHBondContact O-N 3.02Å; R217-M227 HydrophobicContact CB-CE 4.5Å; R217-M227 WeakPolarHBondContact O-CE 3.35Å
218F98.8Very high98.5Very high92 Ų9249.8 Ų49.840%0.40424%0.241SC..SBendtrans-83.754.5-167-63.8-69.1000112.6R73 D183 D216R73-F218 HydrophobicContact CB-CE1 4.46Å; R73-F218 HydrophobicContact CG-CE1 3.95Å; R73-F218 HydrophobicContact CG-CZ 4.37Å; D183-F218 WeakPolarHBondContact O-CA 3.29Å; D183-F218 WeakPolarHBondContact O-CD1 3.32Å; D216-F218 PolarHBondContact OD1-N 3.47Å
219K98.7Very high98.5Very high77 Ų7748.1 Ų48.134%0.33523%0.231SC..SBendtrans-159.7166.1-175.451.8165.7172.7-81.50111.6R148 D183 D216 R217 M227R148-K219 PolarHBondContact NH1-O 2.71Å; D183-K219 VanDerWaalsContact OD1-O 3.06Å; D216-K219 WeakPolarHBondContact O-CE 3.35Å; D216-K219 PolarHBondContact O-NZ 3.09Å; D216-K219 IonicContact OD2-NZ 2.74Å; D216-K219 PolarHBondContact OD2-NZ 2.86Å; R217-K219 PolarHBondContact O-N 3.02Å; K219-M227 HydrophobicContact CG-SD 4.29Å; K219-M227 WeakPolarHBondContact O-CE 3.44Å
220E98.6Very high98.5Very high46 Ų4647.5 Ų47.522%0.21523%0.227CC..SBendtrans-53.6137.4162.9-172.369.3-173.300110.8C153 R154 H155 D183C153-E220 WeakPolarHBondContact CB-OE1 3.43Å; R154-E220 WeakPolarHBondContact CA-OE1 3.44Å; R154-E220 WeakPolarHBondContact CB-OE1 3.32Å; R154-E220 WeakPolarHBondContact CB-OE2 3.34Å; R154-E220 WeakPolarHBondContact CD-OE2 3.46Å; R154-E220 VanDerWaalsContact CG-OE2 3.25Å; R154-E220 WeakPolarHBondContact CG-OE2 3.33Å; R154-E220 IonicContact CZ-OE2 2.65Å; R154-E220 VanDerWaalsContact N-CD 3.33Å; R154-E220 PolarHBondContact N-OE1 2.87Å; R154-E220 PolarHBondContact N-OE2 2.98Å; R154-E220 IonicContact NH1-OE2 3.95Å; R154-E220 PolarHBondContact NH1-OE2 3.37Å; H155-E220 PolarHBondContact N-OE1 2.7Å; D183-E220 PolarHBondContact OD1-N 2.87Å
221P98.6Very high98.5Very high4 Ų443.6 Ų43.63%0.02621%0.207CC..PPolyproline II helixtrans-59.3136.4179.5-25.335.7000113.1C153 M227 L231 R434C153-P221 HydrophobicContact CB-CG 3.85Å; P221-M227 HydrophobicContact CG-CE 4.32Å; P221-L231 HydrophobicContact CB-CD1 4.12Å; P221-L231 HydrophobicContact CG-CD1 3.93Å; P221-R434 PolarHBondContact O-NH1 3.48Å; P221-R434 PolarHBondContact O-NH2 2.97Å
222P97.7Very high98.5Very high39 Ų3942.5 Ų42.525%0.25320%0.2SC..PPolyproline II helixtrans-66.8166.3175.130.7-35.6000111.2Y224 M227 C228 R434P222-Y224 VanDerWaalsContact C-N 3.26Å; P222-Y224 WeakPolarHBondContact CB-O 3.3Å; P222-Y224 VanDerWaalsContact CG-O 3.31Å; P222-Y224 WeakPolarHBondContact CG-O 3.37Å; P222-Y224 PolarHBondContact O-N 3.31Å; P222-M227 HydrophobicContact CG-CB 4.09Å; P222-C228 HydrophobicContact CG-CB 4.43Å; P222-R434 PolarHBondContact O-NH2 2.9Å
223A95.9Very high98.5Very high34 Ų3442.4 Ų42.428%0.28120%0.2SC..SBendtrans-76.6-13.9177.800000113.6
224Y97.7Very high98.5Very high180 Ų18037.6 Ų37.671%0.70618%0.182SC*.SBendtrans-157.9171.6-175.758.1-95.8000110.1P222P222-Y224 VanDerWaalsContact C-N 3.26Å; P222-Y224 WeakPolarHBondContact CB-O 3.3Å; P222-Y224 VanDerWaalsContact CG-O 3.31Å; P222-Y224 WeakPolarHBondContact CG-O 3.37Å; P222-Y224 PolarHBondContact O-N 3.31Å
225G98.4Very high98.5Very high7 Ų731.2 Ų31.27%0.07215%0.154CC..SBendtrans82.4-178.5177.400000113.7E205 M227 C228 D229E205-G225 WeakPolarHBondContact OE1-CA 3.38Å; G225-M227 VanDerWaalsContact C-N 3.32Å; G225-M227 PolarHBondContact O-N 3Å; G225-M227 VanDerWaalsContact O-N 3.09Å; G225-C228 WeakPolarHBondContact O-CA 3.31Å; G225-C228 VanDerWaalsContact O-CB 3.24Å; G225-C228 WeakPolarHBondContact O-CB 3.38Å; G225-C228 PolarHBondContact O-N 3.16Å; G225-D229 PolarHBondContact O-N 3.14Å
226P98.8Very high98.4Very high24 Ų2430.4 Ų30.416%0.15615%0.15CC..Hα-helixtrans-61.1-33.3-157.818.8-33.1000115E205 I206 L215 D229 I230E205-P226 HydrophobicContact CB-CB 4.19Å; E205-P226 HydrophobicContact CB-CG 4.18Å; I206-P226 HydrophobicContact CD1-CB 3.71Å; I206-P226 HydrophobicContact CG1-CB 3.69Å; L215-P226 HydrophobicContact CD1-CB 4.33Å; L215-P226 HydrophobicContact CD2-CB 4.01Å; L215-P226 HydrophobicContact CD2-CG 3.69Å; P226-D229 PolarHBondContact O-N 3.15Å; P226-I230 WeakPolarHBondContact O-CD1 3.37Å; P226-I230 VanDerWaalsContact O-CG1 3.28Å; P226-I230 WeakPolarHBondContact O-CG1 3.21Å; P226-I230 PolarHBondContact O-N 3.13Å
227M98.8Very high98.2Very high8 Ų834.5 Ų34.54%0.03917%0.166CC..Hα-helixtrans-74.7-26.7175.2-177.1-179.4175.800113.1L187 R217 K219 P221 P222 G225 L231L187-M227 HydrophobicContact CD1-CG 4.19Å; L187-M227 HydrophobicContact CD2-CE 4.37Å; L187-M227 HydrophobicContact CD2-CG 4.46Å; R217-M227 HydrophobicContact CB-CE 4.5Å; R217-M227 WeakPolarHBondContact O-CE 3.35Å; K219-M227 HydrophobicContact CG-SD 4.29Å; K219-M227 WeakPolarHBondContact O-CE 3.44Å; P221-M227 HydrophobicContact CG-CE 4.32Å; P222-M227 HydrophobicContact CG-CB 4.09Å; G225-M227 VanDerWaalsContact C-N 3.32Å; G225-M227 PolarHBondContact O-N 3Å; G225-M227 VanDerWaalsContact O-N 3.09Å; M227-L231 WeakPolarHBondContact O-CD1 3.18Å; M227-L231 WeakPolarHBondContact O-CG 3.4Å
228C98.7Very high98Very high0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-71-47.4168.6-169.50000109.2P222 G225 I230 L231 W232P222-C228 HydrophobicContact CG-CB 4.43Å; G225-C228 WeakPolarHBondContact O-CA 3.31Å; G225-C228 VanDerWaalsContact O-CB 3.24Å; G225-C228 WeakPolarHBondContact O-CB 3.38Å; G225-C228 PolarHBondContact O-N 3.16Å; C228-I230 PolarHBondContact O-N 3.07Å; C228-L231 CarbonylContact O-C 3.14Å; C228-L231 WeakPolarHBondContact O-CA 3.31Å; C228-L231 WeakPolarHBondContact O-CB 3.38Å; C228-L231 PolarHBondContact O-N 3.41Å; C228-W232 WeakPolarHBondContact O-CB 3.49Å; C228-W232 PolarHBondContact O-N 2.66Å; C228-W232 VanDerWaalsContact SG-CD1 3.57Å
229D98.9Very high97.9Very high0 Ų033.5 Ų33.50%017%0.165CC..Hα-helixtrans-66.6-37.9-172.4-59.2-28.3000114.1S203 G225 P226 L231 W232 S233 S257S203-D229 WeakPolarHBondContact CB-OD2 3.47Å; S203-D229 PolarHBondContact OG-OD2 2.79Å; G225-D229 PolarHBondContact O-N 3.14Å; P226-D229 PolarHBondContact O-N 3.15Å; D229-L231 PolarHBondContact O-N 3.31Å; D229-L231 VanDerWaalsContact O-N 3.12Å; D229-W232 PolarHBondContact O-N 3.24Å; D229-S233 WeakPolarHBondContact O-CB 3.37Å; D229-S233 PolarHBondContact O-N 3.42Å; D229-S233 PolarHBondContact O-OG 2.93Å; D229-S257 WeakPolarHBondContact CA-OG 3.25Å; D229-S257 WeakPolarHBondContact OD1-CA 3.21Å; D229-S257 VanDerWaalsContact OD1-CB 3.27Å; D229-S257 WeakPolarHBondContact OD1-CB 3.35Å; D229-S257 PolarHBondContact OD1-OG 2.95Å
230I98.9Very high97.7Very high1 Ų129.9 Ų29.91%0.00515%0.15CC..Hα-helixtrans-55.5-29.6171.4-69.7162.3000111.6L187 V198 G200 G201 I206 I212 L215 P226 C228L187-I230 HydrophobicContact CB-CD1 4.29Å; L187-I230 HydrophobicContact CB-CG2 4.25Å; L187-I230 HydrophobicContact CD1-CD1 4.2Å; L187-I230 VanDerWaalsContact O-CG2 3.31Å; L187-I230 WeakPolarHBondContact O-CG2 3.11Å; V198-I230 HydrophobicContact CB-CG2 4.21Å; V198-I230 HydrophobicContact CG1-CG2 3.97Å; G200-I230 WeakPolarHBondContact CA-O 3.47Å; G200-I230 PolarHBondContact N-O 2.87Å; G201-I230 PolarHBondContact N-O 2.89Å; I206-I230 HydrophobicContact CD1-CD1 3.58Å; I206-I230 HydrophobicContact CD1-CG1 3.55Å; I212-I230 HydrophobicContact CG2-CD1 4.32Å; L215-I230 HydrophobicContact CD1-CD1 3.68Å; P226-I230 WeakPolarHBondContact O-CD1 3.37Å; P226-I230 VanDerWaalsContact O-CG1 3.28Å; P226-I230 WeakPolarHBondContact O-CG1 3.21Å; P226-I230 PolarHBondContact O-N 3.13Å; C228-I230 PolarHBondContact O-N 3.07Å
231L98.8Very high97.6Very high0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-99.9-25.6-174.1-54.8178.3000113.9R148 N150 H199 P221 M227 C228 D229R148-L231 HydrophobicContact CB-CD2 4.22Å; R148-L231 WeakPolarHBondContact O-CD2 3.48Å; N150-L231 HydrophobicContact CB-CB 4.21Å; H199-L231 HydrophobicContact CB-CD2 4.44Å; P221-L231 HydrophobicContact CB-CD1 4.12Å; P221-L231 HydrophobicContact CG-CD1 3.93Å; M227-L231 WeakPolarHBondContact O-CD1 3.18Å; M227-L231 WeakPolarHBondContact O-CG 3.4Å; C228-L231 CarbonylContact O-C 3.14Å; C228-L231 WeakPolarHBondContact O-CA 3.31Å; C228-L231 WeakPolarHBondContact O-CB 3.38Å; C228-L231 PolarHBondContact O-N 3.41Å; D229-L231 PolarHBondContact O-N 3.31Å; D229-L231 VanDerWaalsContact O-N 3.12Å
232W98.8Very high97.2Very high9 Ų934 Ų343%0.03417%0.172CC..Hα-helixtrans-125.3-6.7-167.9-75.999.8000115.7N150 L156 C228 D229 R254 H281 M431N150-W232 HydrophobicContact CB-CD2 3.92Å; N150-W232 HydrophobicContact CB-CE3 4.48Å; N150-W232 HydrophobicContact CB-CG 4.3Å; N150-W232 HydrophobicContact CB-CH2 4.46Å; N150-W232 HydrophobicContact CB-CZ2 3.85Å; L156-W232 HydrophobicContact CD1-CH2 4.11Å; L156-W232 HydrophobicContact CD1-CZ2 3.75Å; L156-W232 HydrophobicContact CD2-CH2 3.7Å; L156-W232 HydrophobicContact CD2-CZ2 3.65Å; L156-W232 HydrophobicContact CG-CH2 4.46Å; L156-W232 HydrophobicContact CG-CZ2 4.36Å; C228-W232 WeakPolarHBondContact O-CB 3.49Å; C228-W232 PolarHBondContact O-N 2.66Å; C228-W232 VanDerWaalsContact SG-CD1 3.57Å; D229-W232 PolarHBondContact O-N 3.24Å; W232-R254 HydrophobicContact CE3-CB 3.9Å; W232-R254 HydrophobicContact CE3-CG 4.09Å; W232-R254 HydrophobicContact CZ3-CB 4.27Å; W232-H281 AromaticContact CE3-CE1 3.97Å; W232-M431 HydrophobicContact CH2-CB 3.77Å; W232-M431 HydrophobicContact CH2-CG 4.35Å; W232-M431 HydrophobicContact CZ2-CB 3.99Å; W232-M431 HydrophobicContact CZ2-CG 4.14Å; W232-M431 HydrophobicContact CZ3-CB 4.18Å
233S98.8Very high96.8Very high0 Ų037.7 Ų37.70%018%0.184CC..  trans-76.9146.3178.761.70000111.7G200 G201 L202 D229 Y258 Y260 R279G200-S233 CarbonylContact C-O 3.52Å; G200-S233 WeakPolarHBondContact CA-O 3.46Å; G201-S233 VanDerWaalsContact CA-OG 3.22Å; G201-S233 WeakPolarHBondContact CA-OG 3.49Å; G201-S233 PolarHBondContact N-OG 3.21Å; L202-S233 PolarHBondContact N-OG 3.42Å; L202-S233 VanDerWaalsContact N-OG 3.12Å; L202-S233 WeakPolarHBondContact O-CB 3.4Å; L202-S233 PolarHBondContact O-OG 2.8Å; L202-S233 VanDerWaalsContact O-OG 3.07Å; D229-S233 WeakPolarHBondContact O-CB 3.37Å; D229-S233 PolarHBondContact O-N 3.42Å; D229-S233 PolarHBondContact O-OG 2.93Å; S233-Y258 WeakPolarHBondContact CA-O 3.33Å; S233-Y258 WeakPolarHBondContact CB-O 3.4Å; S233-Y260 WeakPolarHBondContact OG-CE1 3.47Å; S233-R279 PolarHBondContact O-NH2 3.32Å
234D98.8Very high96.2Very high3 Ų339.8 Ų39.82%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-124.2156.6179.2-69.9-55.5000110.6N251 R254 Y258 F259 Y260 R279 H281D234-N251 PolarHBondContact OD2-ND2 3.5Å; D234-R254 IonicContact OD1-CZ 2.69Å; D234-R254 IonicContact OD1-NE 3.45Å; D234-R254 IonicContact OD1-NH2 2.92Å; D234-R254 PolarHBondContact OD1-NH2 2.79Å; D234-R254 VanDerWaalsContact OD2-CG 3.31Å; D234-R254 WeakPolarHBondContact OD2-CG 3.37Å; D234-R254 IonicContact OD2-CZ 3.56Å; D234-R254 IonicContact OD2-NE 2.73Å; D234-R254 PolarHBondContact OD2-NE 3.11Å; D234-R254 IonicContact OD2-NH2 2.72Å; D234-R254 PolarHBondContact OD2-NH2 2.99Å; D234-Y258 PolarHBondContact N-O 3.34Å; D234-F259 HydrophobicContact CB-CD1 3.8Å; D234-F259 HydrophobicContact CB-CE1 3.98Å; D234-F259 CarbonylContact O-C 3.53Å; D234-F259 WeakPolarHBondContact O-CA 3.37Å; D234-Y260 VanDerWaalsContact C-CZ 3.49Å; D234-Y260 WeakPolarHBondContact O-CD1 3.41Å; D234-Y260 VanDerWaalsContact O-CE1 3.32Å; D234-Y260 WeakPolarHBondContact O-CE1 3.37Å; D234-Y260 PolarHBondContact O-N 3.08Å; D234-R279 IonicContact OD1-CZ 3.18Å; D234-R279 IonicContact OD1-NH1 3.68Å; D234-R279 IonicContact OD1-NH2 2.8Å; D234-R279 PolarHBondContact OD1-NH2 3.49Å; D234-H281 IonicContact OD1-CD2 2.72Å; D234-H281 PolarHBondContact OD1-CD2 2.97Å
235P98.5Very high95.3Very high5 Ų540.1 Ų40.13%0.03220%0.202CC..EExtended strand (participates in β ladder)trans-62.7155.1159.628.7-32.5000110.5F239 F259 Y260 E282 Y291 L302P235-F239 HydrophobicContact CB-CB 4.01Å; P235-F239 HydrophobicContact CB-CD2 3.61Å; P235-F239 HydrophobicContact CB-CE2 4.22Å; P235-F239 HydrophobicContact CB-CG 3.94Å; P235-F259 WeakPolarHBondContact O-CD1 3.45Å; P235-Y260 WeakPolarHBondContact CA-O 3.47Å; P235-Y260 HydrophobicContact CB-CD2 4.42Å; P235-Y260 HydrophobicContact CB-CE2 3.95Å; P235-E282 WeakPolarHBondContact CD-OE2 3.43Å; P235-E282 WeakPolarHBondContact CG-OE2 3.38Å; P235-Y291 HydrophobicContact CB-CD1 4.39Å; P235-Y291 HydrophobicContact CB-CE1 3.84Å; P235-Y291 HydrophobicContact CG-CD1 4.48Å; P235-Y291 HydrophobicContact CG-CE1 3.52Å; P235-L302 HydrophobicContact CB-CD2 3.63Å; P235-L302 HydrophobicContact CG-CD2 3.8Å
236L97.5Very high95.2Very high19 Ų1945.5 Ų45.510%0.09923%0.225CC..  trans-56.8152.2165.9-78.5169.3000112.1D238 F239 E242 F259 Y260L236-D238 VanDerWaalsContact C-N 3.28Å; L236-D238 WeakPolarHBondContact CB-OD1 3.4Å; L236-D238 PolarHBondContact O-N 3.03Å; L236-F239 HydrophobicContact CB-CB 4.29Å; L236-F239 WeakPolarHBondContact O-CB 3.32Å; L236-F239 PolarHBondContact O-N 3.39Å; L236-F239 VanDerWaalsContact O-N 3.09Å; L236-E242 HydrophobicContact CD1-CG 3.55Å; L236-F259 HydrophobicContact CD2-CB 3.51Å; L236-F259 HydrophobicContact CD2-CD2 4.12Å; L236-F259 HydrophobicContact CD2-CG 3.95Å; L236-F259 HydrophobicContact CG-CB 3.89Å; L236-Y260 PolarHBondContact N-O 2.87Å; L236-Y260 VanDerWaalsContact N-O 3.08Å
237E93Very high95.1Very high172 Ų17247.3 Ų47.380%0.80423%0.231SC*.THydrogen-bonded Turntrans-62.1-39.4177.1-173163.8-151.800111.2
238D94.9Very high95.1Very high68 Ų6849.4 Ų49.436%0.36424%0.24SC..THydrogen-bonded Turntrans-89.415.9174.165.4-36.7000114.1L236 G240 N241 E242L236-D238 VanDerWaalsContact C-N 3.28Å; L236-D238 WeakPolarHBondContact CB-OD1 3.4Å; L236-D238 PolarHBondContact O-N 3.03Å; D238-G240 PolarHBondContact O-N 3.48Å; D238-N241 WeakPolarHBondContact O-CA 3.5Å; D238-N241 WeakPolarHBondContact O-CB 3.17Å; D238-N241 PolarHBondContact O-N 2.95Å; D238-E242 WeakPolarHBondContact OD2-CA 3.48Å
239F96.8Very high95Very high8 Ų850.9 Ų50.94%0.03525%0.249CC..THydrogen-bonded Turntrans-46.3122.4-173-179.8-80.2000113.7P235 L236 E242 Y260 S261 Y262 V265 Y291 L302P235-F239 HydrophobicContact CB-CB 4.01Å; P235-F239 HydrophobicContact CB-CD2 3.61Å; P235-F239 HydrophobicContact CB-CE2 4.22Å; P235-F239 HydrophobicContact CB-CG 3.94Å; L236-F239 HydrophobicContact CB-CB 4.29Å; L236-F239 WeakPolarHBondContact O-CB 3.32Å; L236-F239 PolarHBondContact O-N 3.39Å; L236-F239 VanDerWaalsContact O-N 3.09Å; F239-E242 WeakPolarHBondContact CA-OE1 3.11Å; F239-Y260 WeakPolarHBondContact CD2-O 3.46Å; F239-Y260 HydrophobicContact CE2-CD2 4.16Å; F239-Y260 HydrophobicContact CE2-CE2 4.46Å; F239-S261 VanDerWaalsContact CE2-C 3.49Å; F239-Y262 AromaticContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CG 4.43Å; F239-Y262 VanDerWaalsContact CE2-N 3.32Å; F239-Y262 HydrophobicContact CZ-CD2 4.27Å; F239-V265 HydrophobicContact CE2-CB 4.31Å; F239-V265 HydrophobicContact CE2-CG2 3.69Å; F239-V265 HydrophobicContact CZ-CB 4.06Å; F239-V265 HydrophobicContact CZ-CG1 4.45Å; F239-V265 HydrophobicContact CZ-CG2 3.83Å; F239-Y291 HydrophobicContact CB-CD1 4.18Å; F239-Y291 AromaticContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CG 4.09Å; F239-Y291 HydrophobicContact CE1-CD1 4.18Å; F239-Y291 HydrophobicContact CE1-CG 4.25Å; F239-Y291 HydrophobicContact CG-CD1 4.04Å; F239-L302 HydrophobicContact CE1-CB 4.27Å; F239-L302 HydrophobicContact CE2-CD2 4.34Å; F239-L302 HydrophobicContact CZ-CB 4.09Å; F239-L302 HydrophobicContact CZ-CD2 4.2Å
240G95.2Very high95Very high1 Ų156 Ų561%0.0127%0.272CS..THydrogen-bonded Turntrans93.8-8.2-173.100000115.1D238 E242 R292D238-G240 PolarHBondContact O-N 3.48Å; G240-E242 WeakPolarHBondContact CA-OE2 3.37Å; G240-E242 PolarHBondContact N-OE1 3.32Å; G240-E242 PolarHBondContact N-OE2 3.04Å; G240-R292 WeakPolarHBondContact O-CD 3.41Å; G240-R292 PolarHBondContact O-NH1 3.17Å
241N95.1Very high94.9Very high103 Ų10355.9 Ų55.955%0.55127%0.272SS*.SBendtrans-123.821.2177.4-56.4-65.6000112.4D238 K243D238-N241 WeakPolarHBondContact O-CA 3.5Å; D238-N241 WeakPolarHBondContact O-CB 3.17Å; D238-N241 PolarHBondContact O-N 2.95Å; N241-K243 PolarHBondContact O-N 3.07Å
242E91.8Very high94.8Very high33 Ų3360.1 Ų60.115%0.15430%0.298CS..  trans-60.4130.1-166.9-61.486.816600113.7L236 D238 F239 G240 Y262L236-E242 HydrophobicContact CD1-CG 3.55Å; D238-E242 WeakPolarHBondContact OD2-CA 3.48Å; F239-E242 WeakPolarHBondContact CA-OE1 3.11Å; G240-E242 WeakPolarHBondContact CA-OE2 3.37Å; G240-E242 PolarHBondContact N-OE1 3.32Å; G240-E242 PolarHBondContact N-OE2 3.04Å; E242-Y262 VanDerWaalsContact OE1-CB 3.3Å; E242-Y262 WeakPolarHBondContact OE1-CB 3.38Å; E242-Y262 PolarHBondContact OE1-N 2.65Å
243K88.5Confident94.6Very high117 Ų11761.5 Ų61.551%0.50931%0.308SS..SBendtrans-77.4-25170.9-68.4-177.3175-176.30113.4N241 E338 E339N241-K243 PolarHBondContact O-N 3.07Å; K243-E338 VanDerWaalsContact CE-OE1 3.26Å; K243-E338 WeakPolarHBondContact CE-OE1 3.31Å; K243-E338 VanDerWaalsContact CE-OE2 3.31Å; K243-E338 WeakPolarHBondContact CE-OE2 3.39Å; K243-E338 IonicContact NZ-OE1 3.76Å; K243-E338 IonicContact NZ-OE2 3.15Å; K243-E338 PolarHBondContact NZ-OE2 3.11Å; K243-E339 IonicContact NZ-OE1 2.7Å; K243-E339 PolarHBondContact NZ-OE1 2.82Å; K243-E339 IonicContact NZ-OE2 3.33Å; K243-E339 PolarHBondContact NZ-OE2 2.85Å
244T83.8Confident94.5Very high77 Ų7762 Ų6247%0.47231%0.31SS..SBendtrans-100.2158-178.266.10000111.6
245Q79.4Confident94.4Very high188 Ų18863.5 Ų63.588%0.87933%0.325SS*.  trans-98.514.1176.4-64.4-177.1-8.400112.5
246E94.6Very high94.3Very high119 Ų11963.7 Ų63.756%0.55633%0.326SS*.  trans-79.2127.4-179.6-63.7-170.2148.600110.1T249 S261E246-T249 HydrophobicContact CB-CG2 3.76Å; E246-T249 WeakPolarHBondContact OE2-CG2 3.25Å; E246-S261 PolarHBondContact O-OG 3.07Å
247H97.7Very high94.3Very high63 Ų6363.2 Ų63.229%0.29233%0.325SS..SBendtrans-73.8-33.2179.6-78.8-162.7000112.3Y260 S261 A264 E267H247-Y260 WeakPolarHBondContact O-CA 3.25Å; H247-S261 WeakPolarHBondContact CA-OG 3.35Å; H247-S261 PolarHBondContact O-N 2.84Å; H247-S261 PolarHBondContact O-OG 3Å; H247-A264 HydrophobicContact CB-CB 3.66Å; H247-A264 WeakPolarHBondContact O-CB 3.32Å; H247-E267 IonicContact CE1-OE2 3.64Å; H247-E267 PolarHBondContact CE1-OE2 3.15Å
248F98.4Very high94.6Very high51 Ų5158.9 Ų58.922%0.22430%0.302CS..EExtended strand (participates in β ladder)trans-139.4124.6179.8-63.2-86.1000110.1L202 S203 P204 Y258 F259 A264L202-F248 HydrophobicContact CB-CE1 3.86Å; L202-F248 HydrophobicContact CB-CZ 4.07Å; S203-F248 WeakPolarHBondContact O-CZ 3.47Å; P204-F248 HydrophobicContact CB-CD2 3.8Å; P204-F248 HydrophobicContact CB-CE2 4.13Å; P204-F248 HydrophobicContact CB-CG 4.06Å; P204-F248 HydrophobicContact CG-CG 4.41Å; F248-Y258 HydrophobicContact CB-CD1 4.13Å; F248-Y258 HydrophobicContact CB-CG 4.23Å; F248-F259 VanDerWaalsContact CA-O 3.29Å; F248-F259 WeakPolarHBondContact CA-O 3.23Å; F248-A264 HydrophobicContact CE2-CB 4.39Å; F248-A264 HydrophobicContact CZ-CB 4.46Å
249T97.5Very high94.8Very high31 Ų3156.9 Ų56.919%0.1929%0.29CS..EExtended strand (participates in β ladder)trans-120.5161174.871.60000109.7E246 N251 Y258 F259E246-T249 HydrophobicContact CB-CG2 3.76Å; E246-T249 WeakPolarHBondContact OE2-CG2 3.25Å; T249-N251 PolarHBondContact O-N 3.1Å; T249-Y258 CarbonylContact O-C 3.21Å; T249-Y258 WeakPolarHBondContact O-CA 3.32Å; T249-Y258 WeakPolarHBondContact O-CB 3.4Å; T249-F259 PolarHBondContact N-O 3.28Å; T249-F259 PolarHBondContact O-N 3.04Å
250H97.5Very high94.9Very high107 Ų10756.5 Ų56.550%0.49529%0.288SS..EExtended strand (participates in β ladder)trans-68127.8-176.3175.546.3000112T252 S257H250-T252 PolarHBondContact O-N 3.34Å; H250-S257 PolarHBondContact ND1-O 3.01Å
251N98.1Very high95Very high0 Ų056.5 Ų56.50%029%0.288CS..  trans-72.196.2178-169.9-31.9000111.3D234 T249 V253 R254 G255 C256 S257 F259D234-N251 PolarHBondContact OD2-ND2 3.5Å; T249-N251 PolarHBondContact O-N 3.1Å; N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.38Å; N251-V253 WeakPolarHBondContact OD1-CB 3.37Å; N251-V253 PolarHBondContact OD1-N 3.29Å; N251-V253 VanDerWaalsContact OD1-N 3.09Å; N251-R254 VanDerWaalsContact ND2-CG 3.32Å; N251-R254 WeakPolarHBondContact ND2-CG 3.49Å; N251-R254 PolarHBondContact OD1-N 3.17Å; N251-G255 WeakPolarHBondContact O-CA 3.39Å; N251-G255 PolarHBondContact O-N 3.08Å; N251-C256 WeakPolarHBondContact CB-O 3.46Å; N251-S257 PolarHBondContact N-O 3.34Å; N251-S257 VanDerWaalsContact N-O 3.13Å; N251-F259 HydrophobicContact CB-CD1 4.43Å; N251-F259 HydrophobicContact CB-CD2 4.39Å; N251-F259 HydrophobicContact CB-CE1 4.47Å; N251-F259 HydrophobicContact CB-CE2 4.45Å; N251-F259 HydrophobicContact CB-CG 4.38Å; N251-F259 HydrophobicContact CB-CZ 4.48Å; N251-F259 WeakPolarHBondContact OD1-CE1 3.19Å; N251-F259 WeakPolarHBondContact OD1-CZ 3.39Å
252T95.9Very high95.1Very high89 Ų8952.3 Ų52.355%0.54626%0.264SS..THydrogen-bonded Turntrans-72.4-22.1-179.557.40000113.1H250 R430H250-T252 PolarHBondContact O-N 3.34Å; T252-R430 VanDerWaalsContact O-CZ 3.29Å; T252-R430 PolarHBondContact O-NH1 3.37Å; T252-R430 PolarHBondContact O-NH2 3.42Å
253V94.6Very high95.4Very high38 Ų3853 Ų5323%0.2327%0.272CS..THydrogen-bonded Turntrans-71.7-56.5175.6169.40000110N251 F259 R426 E429 R430N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.38Å; N251-V253 WeakPolarHBondContact OD1-CB 3.37Å; N251-V253 PolarHBondContact OD1-N 3.29Å; N251-V253 VanDerWaalsContact OD1-N 3.09Å; V253-F259 HydrophobicContact CB-CZ 4.13Å; V253-F259 HydrophobicContact CG2-CZ 3.93Å; V253-R426 HydrophobicContact CG1-CG 4.35Å; V253-E429 HydrophobicContact CG1-CB 4.4Å; V253-R430 WeakPolarHBondContact O-CG 3.44Å; V253-R430 PolarHBondContact O-NH1 2.9Å
254R96.8Very high95.8Very high11 Ų1147.8 Ų47.84%0.04225%0.25CS..THydrogen-bonded Turntrans-75.9-27.4179.5-50.9-59.1175.7158.511.2112.9W232 D234 N251 C256 H281 E429 R430 M431W232-R254 HydrophobicContact CE3-CB 3.9Å; W232-R254 HydrophobicContact CE3-CG 4.09Å; W232-R254 HydrophobicContact CZ3-CB 4.27Å; D234-R254 IonicContact OD1-CZ 2.69Å; D234-R254 IonicContact OD1-NE 3.45Å; D234-R254 IonicContact OD1-NH2 2.92Å; D234-R254 PolarHBondContact OD1-NH2 2.79Å; D234-R254 VanDerWaalsContact OD2-CG 3.31Å; D234-R254 WeakPolarHBondContact OD2-CG 3.37Å; D234-R254 IonicContact OD2-CZ 3.56Å; D234-R254 IonicContact OD2-NE 2.73Å; D234-R254 PolarHBondContact OD2-NE 3.11Å; D234-R254 IonicContact OD2-NH2 2.72Å; D234-R254 PolarHBondContact OD2-NH2 2.99Å; N251-R254 VanDerWaalsContact ND2-CG 3.32Å; N251-R254 WeakPolarHBondContact ND2-CG 3.49Å; N251-R254 PolarHBondContact OD1-N 3.17Å; R254-C256 PolarHBondContact O-N 3.34Å; R254-H281 PolarHBondContact NE-NE2 2.8Å; R254-H281 PolarHBondContact NH1-CE1 2.86Å; R254-H281 PolarHBondContact NH1-O 3.41Å; R254-H281 PolarHBondContact NH2-CD2 3.17Å; R254-H281 PolarHBondContact NH2-NE2 3.15Å; R254-H281 PolarHBondContact NH2-O 2.99Å; R254-E429 WeakPolarHBondContact CD-O 3.44Å; R254-R430 CarbonylContact O-C 2.98Å; R254-R430 WeakPolarHBondContact O-CA 3.45Å; R254-M431 PolarHBondContact O-N 3.4Å
255G95.6Very high96.5Very high33 Ų3344.1 Ų44.134%0.3423%0.228SC..SBendtrans74.811.5-177.300000114.5N251N251-G255 WeakPolarHBondContact O-CA 3.39Å; N251-G255 PolarHBondContact O-N 3.08Å
256C97.5Very high97.4Very high9 Ų936.3 Ų36.36%0.06119%0.194CC..SBendtrans-153165.9172650000108N251 R254 M431N251-C256 WeakPolarHBondContact CB-O 3.46Å; R254-C256 PolarHBondContact O-N 3.34Å; C256-M431 HydrophobicContact CB-CB 4.46Å; C256-M431 HydrophobicContact CB-CE 3.69Å; C256-M431 HydrophobicContact CB-SD 4.29Å
257S98.3Very high97.5Very high9 Ų936.2 Ų36.26%0.06319%0.193CC..SBendtrans56.9-158-173.5-1630000113.2D229 H250 N251D229-S257 WeakPolarHBondContact CA-OG 3.25Å; D229-S257 WeakPolarHBondContact OD1-CA 3.21Å; D229-S257 VanDerWaalsContact OD1-CB 3.27Å; D229-S257 WeakPolarHBondContact OD1-CB 3.35Å; D229-S257 PolarHBondContact OD1-OG 2.95Å; H250-S257 PolarHBondContact ND1-O 3.01Å; N251-S257 PolarHBondContact N-O 3.34Å; N251-S257 VanDerWaalsContact N-O 3.13Å
258Y98.6Very high97.5Very high82 Ų8233.8 Ų33.832%0.32218%0.182SC..EExtended strand (participates in β ladder)trans-132.8149.9-164.9-57.2-85.7000112.3P204 S233 D234 F248 T249P204-Y258 HydrophobicContact CG-CD2 3.95Å; P204-Y258 HydrophobicContact CG-CE2 3.68Å; S233-Y258 WeakPolarHBondContact CA-O 3.33Å; S233-Y258 WeakPolarHBondContact CB-O 3.4Å; D234-Y258 PolarHBondContact N-O 3.34Å; F248-Y258 HydrophobicContact CB-CD1 4.13Å; F248-Y258 HydrophobicContact CB-CG 4.23Å; T249-Y258 CarbonylContact O-C 3.21Å; T249-Y258 WeakPolarHBondContact O-CA 3.32Å; T249-Y258 WeakPolarHBondContact O-CB 3.4Å
259F98.5Very high97.5Very high26 Ų2631.6 Ų31.611%0.11417%0.172CC..EExtended strand (participates in β ladder)trans-80.4136.4154.6-65.9-61.4000108.6D234 P235 L236 F248 T249 N251 V253D234-F259 HydrophobicContact CB-CD1 3.8Å; D234-F259 HydrophobicContact CB-CE1 3.98Å; D234-F259 CarbonylContact O-C 3.53Å; D234-F259 WeakPolarHBondContact O-CA 3.37Å; P235-F259 WeakPolarHBondContact O-CD1 3.45Å; L236-F259 HydrophobicContact CD2-CB 3.51Å; L236-F259 HydrophobicContact CD2-CD2 4.12Å; L236-F259 HydrophobicContact CD2-CG 3.95Å; L236-F259 HydrophobicContact CG-CB 3.89Å; F248-F259 VanDerWaalsContact CA-O 3.29Å; F248-F259 WeakPolarHBondContact CA-O 3.23Å; T249-F259 PolarHBondContact N-O 3.28Å; T249-F259 PolarHBondContact O-N 3.04Å; N251-F259 HydrophobicContact CB-CD1 4.43Å; N251-F259 HydrophobicContact CB-CD2 4.39Å; N251-F259 HydrophobicContact CB-CE1 4.47Å; N251-F259 HydrophobicContact CB-CE2 4.45Å; N251-F259 HydrophobicContact CB-CG 4.38Å; N251-F259 HydrophobicContact CB-CZ 4.48Å; N251-F259 WeakPolarHBondContact OD1-CE1 3.19Å; N251-F259 WeakPolarHBondContact OD1-CZ 3.39Å; V253-F259 HydrophobicContact CB-CZ 4.13Å; V253-F259 HydrophobicContact CG2-CZ 3.93Å
260Y98.8Very high97.4Very high0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-106.3142.8171.249.8-98.6000111.5G200 L202 S233 D234 P235 L236 F239 H247 V265 L302G200-Y260 PolarHBondContact O-OH 3.09Å; L202-Y260 HydrophobicContact CB-CD1 4.2Å; L202-Y260 HydrophobicContact CB-CG 4.35Å; S233-Y260 WeakPolarHBondContact OG-CE1 3.47Å; D234-Y260 VanDerWaalsContact C-CZ 3.49Å; D234-Y260 WeakPolarHBondContact O-CD1 3.41Å; D234-Y260 VanDerWaalsContact O-CE1 3.32Å; D234-Y260 WeakPolarHBondContact O-CE1 3.37Å; D234-Y260 PolarHBondContact O-N 3.08Å; P235-Y260 WeakPolarHBondContact CA-O 3.47Å; P235-Y260 HydrophobicContact CB-CD2 4.42Å; P235-Y260 HydrophobicContact CB-CE2 3.95Å; L236-Y260 PolarHBondContact N-O 2.87Å; L236-Y260 VanDerWaalsContact N-O 3.08Å; F239-Y260 WeakPolarHBondContact CD2-O 3.46Å; F239-Y260 HydrophobicContact CE2-CD2 4.16Å; F239-Y260 HydrophobicContact CE2-CE2 4.46Å; H247-Y260 WeakPolarHBondContact O-CA 3.25Å; Y260-V265 HydrophobicContact CD2-CG2 3.59Å; Y260-V265 HydrophobicContact CE2-CG2 3.99Å; Y260-L302 HydrophobicContact CE2-CD1 4.24Å; Y260-L302 HydrophobicContact CE2-CD2 3.85Å
261S98.3Very high97.4Very high1 Ų138.1 Ų38.11%0.00720%0.201CC..  trans-95.6162.2-178.862.30000113.2F239 E246 H247 A264 V265F239-S261 VanDerWaalsContact CE2-C 3.49Å; E246-S261 PolarHBondContact O-OG 3.07Å; H247-S261 WeakPolarHBondContact CA-OG 3.35Å; H247-S261 PolarHBondContact O-N 2.84Å; H247-S261 PolarHBondContact O-OG 3Å; S261-A264 WeakPolarHBondContact O-CB 3.31Å; S261-A264 PolarHBondContact O-N 3.27Å; S261-V265 PolarHBondContact O-N 3.18Å
262Y97.8Very high97.4Very high14 Ų1439.5 Ų39.56%0.05521%0.208CC..Hα-helixtrans-55.8-40.6175.9167.5-91.8000113.3F239 E242 V265 C266 R292 K293 Q295F239-Y262 AromaticContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CD2 3.93Å; F239-Y262 HydrophobicContact CE1-CG 4.43Å; F239-Y262 VanDerWaalsContact CE2-N 3.32Å; F239-Y262 HydrophobicContact CZ-CD2 4.27Å; E242-Y262 VanDerWaalsContact OE1-CB 3.3Å; E242-Y262 WeakPolarHBondContact OE1-CB 3.38Å; E242-Y262 PolarHBondContact OE1-N 2.65Å; Y262-V265 PolarHBondContact O-N 3.48Å; Y262-C266 VanDerWaalsContact CE2-SG 3.52Å; Y262-C266 WeakPolarHBondContact O-CB 3.47Å; Y262-C266 PolarHBondContact O-N 2.87Å; Y262-C266 PolarHBondContact O-SG 3.46Å; Y262-R292 HydrophobicContact CD2-CB 3.82Å; Y262-R292 HydrophobicContact CD2-CG 4.04Å; Y262-R292 HydrophobicContact CE2-CB 3.82Å; Y262-R292 HydrophobicContact CE2-CG 3.62Å; Y262-R292 WeakPolarHBondContact CE2-O 3.46Å; Y262-K293 WeakPolarHBondContact CE2-O 3.3Å; Y262-K293 PolarHBondContact OH-O 3.09Å; Y262-Q295 PolarHBondContact OH-N 2.95Å
263P97Very high97.4Very high49 Ų4942 Ų4232%0.31822%0.218SC..Hα-helixtrans-56.7-45.1169-27.436.9000113.4V265 C266 E267P263-V265 PolarHBondContact O-N 3.38Å; P263-C266 PolarHBondContact O-N 3.07Å; P263-E267 PolarHBondContact O-N 3.39Å
264A97.9Very high97.3Very high6 Ų640.8 Ų40.85%0.0521%0.21CC..Hα-helixtrans-62.7-42.9179.600000112.3H247 F248 S261 F268H247-A264 HydrophobicContact CB-CB 3.66Å; H247-A264 WeakPolarHBondContact O-CB 3.32Å; F248-A264 HydrophobicContact CE2-CB 4.39Å; F248-A264 HydrophobicContact CZ-CB 4.46Å; S261-A264 WeakPolarHBondContact O-CB 3.31Å; S261-A264 PolarHBondContact O-N 3.27Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 2.85Å
265V98.4Very high97Very high0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-63.5-45.5173.8173.60000110.8L202 F239 Y260 S261 Y262 P263 E267 F268 L269 I277L202-V265 HydrophobicContact CD1-CB 4.45Å; L202-V265 HydrophobicContact CD1-CG2 3.83Å; F239-V265 HydrophobicContact CE2-CB 4.31Å; F239-V265 HydrophobicContact CE2-CG2 3.69Å; F239-V265 HydrophobicContact CZ-CB 4.06Å; F239-V265 HydrophobicContact CZ-CG1 4.45Å; F239-V265 HydrophobicContact CZ-CG2 3.83Å; Y260-V265 HydrophobicContact CD2-CG2 3.59Å; Y260-V265 HydrophobicContact CE2-CG2 3.99Å; S261-V265 PolarHBondContact O-N 3.18Å; Y262-V265 PolarHBondContact O-N 3.48Å; P263-V265 PolarHBondContact O-N 3.38Å; V265-E267 PolarHBondContact O-N 3.27Å; V265-F268 PolarHBondContact O-N 2.92Å; V265-L269 HydrophobicContact CG1-CD1 3.88Å; V265-L269 HydrophobicContact CG1-CG 4.16Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 VanDerWaalsContact O-CG 3.22Å; V265-L269 WeakPolarHBondContact O-CG 3.48Å; V265-L269 PolarHBondContact O-N 2.84Å; V265-I277 HydrophobicContact CG1-CD1 4.02Å; V265-I277 HydrophobicContact CG1-CG1 4.4Å; V265-I277 HydrophobicContact CG2-CD1 4.43Å
266C97.2Very high97Very high24 Ų2440.6 Ų40.616%0.16220%0.202CC..Hα-helixtrans-65-39.6-179.4-68.90000112.8Y262 P263 Q270Y262-C266 VanDerWaalsContact CE2-SG 3.52Å; Y262-C266 WeakPolarHBondContact O-CB 3.47Å; Y262-C266 PolarHBondContact O-N 2.87Å; Y262-C266 PolarHBondContact O-SG 3.46Å; P263-C266 PolarHBondContact O-N 3.07Å; C266-Q270 WeakPolarHBondContact O-CB 3.49Å; C266-Q270 PolarHBondContact O-N 3.32Å
267E97.4Very high97Very high117 Ų11740.1 Ų40.155%0.54720%0.199SC..Hα-helixtrans-62.9-48.1173.6-174.6177.3108.800111.1H247 P263 V265 L269 Q270 H271H247-E267 IonicContact CE1-OE2 3.64Å; H247-E267 PolarHBondContact CE1-OE2 3.15Å; P263-E267 PolarHBondContact O-N 3.39Å; V265-E267 PolarHBondContact O-N 3.27Å; E267-L269 PolarHBondContact O-N 2.72Å; E267-Q270 PolarHBondContact O-N 2.77Å; E267-H271 VanDerWaalsContact O-CB 3.29Å; E267-H271 WeakPolarHBondContact O-CB 3.17Å; E267-H271 PolarHBondContact O-N 3.27Å
268F98.4Very high96.9Very high12 Ų1239.7 Ų39.75%0.05320%0.196CC..Hα-helixtrans-60.7-44.2178.5-176.5-88000112.2L196 L202 I206 N207 L209 A264 V265 H271 N272 L274 I277L196-F268 HydrophobicContact CD2-CE1 3.59Å; L196-F268 HydrophobicContact CD2-CZ 3.89Å; L202-F268 HydrophobicContact CD1-CB 4.01Å; L202-F268 HydrophobicContact CD1-CG 4.26Å; L202-F268 HydrophobicContact CD2-CB 4.38Å; L202-F268 HydrophobicContact CD2-CD1 3.77Å; L202-F268 HydrophobicContact CD2-CD2 3.88Å; L202-F268 HydrophobicContact CD2-CE1 3.99Å; L202-F268 HydrophobicContact CD2-CE2 4.09Å; L202-F268 HydrophobicContact CD2-CG 3.72Å; L202-F268 HydrophobicContact CD2-CZ 4.15Å; I206-F268 HydrophobicContact CG2-CE2 4.16Å; I206-F268 WeakPolarHBondContact O-CE2 3.41Å; N207-F268 WeakPolarHBondContact O-CE2 3.43Å; L209-F268 HydrophobicContact CD2-CZ 4.33Å; A264-F268 WeakPolarHBondContact O-CB 3.38Å; A264-F268 PolarHBondContact O-N 2.85Å; V265-F268 PolarHBondContact O-N 2.92Å; F268-H271 PolarHBondContact O-N 3.24Å; F268-N272 HydrophobicContact CE1-CB 4.43Å; F268-N272 WeakPolarHBondContact CE2-ND2 3.16Å; F268-N272 WeakPolarHBondContact O-CB 3.25Å; F268-N272 PolarHBondContact O-N 2.93Å; F268-N272 PolarHBondContact O-ND2 3.43Å; F268-L274 HydrophobicContact CD1-CD1 4.49Å; F268-L274 HydrophobicContact CE1-CD1 3.91Å; F268-I277 HydrophobicContact CD1-CD1 4.35Å
269L97.4Very high96.9Very high5 Ų535.8 Ų35.83%0.02618%0.181CC..Hα-helixtrans-60.3-46.7176-72.9177000111.5V265 E267 N273 L274 I277V265-L269 HydrophobicContact CG1-CD1 3.88Å; V265-L269 HydrophobicContact CG1-CG 4.16Å; V265-L269 WeakPolarHBondContact O-CB 3.16Å; V265-L269 VanDerWaalsContact O-CG 3.22Å; V265-L269 WeakPolarHBondContact O-CG 3.48Å; V265-L269 PolarHBondContact O-N 2.84Å; E267-L269 PolarHBondContact O-N 2.72Å; L269-N273 WeakPolarHBondContact O-CA 3.21Å; L269-N273 PolarHBondContact O-N 2.99Å; L269-L274 HydrophobicContact CD2-CB 3.54Å; L269-L274 PolarHBondContact O-N 2.71Å; L269-I277 HydrophobicContact CD2-CG1 3.99Å
270Q95.8Very high96.9Very high146 Ų14634.6 Ų34.668%0.68218%0.175SC*.Hα-helixtrans-67.7-40.8179.7-176.1170.9-10.900112.1C266 E267 N273C266-Q270 WeakPolarHBondContact O-CB 3.49Å; C266-Q270 PolarHBondContact O-N 3.32Å; E267-Q270 PolarHBondContact O-N 2.77Å; Q270-N273 PolarHBondContact O-N 3.21Å
271H97.9Very high96.8Very high129 Ų12934.9 Ų34.960%0.59718%0.177SC*.Hα-helixtrans-65.8-37.4178.9-169.786.6000112.5E267 F268E267-H271 VanDerWaalsContact O-CB 3.29Å; E267-H271 WeakPolarHBondContact O-CB 3.17Å; E267-H271 PolarHBondContact O-N 3.27Å; F268-H271 PolarHBondContact O-N 3.24Å
272N98Very high96.7Very high29 Ų2935.9 Ų35.916%0.15518%0.181CC..Hα-helixtrans-963.6-178.4-68-88.4000113.9N207 T208 L209 F268 L274N207-N272 PolarHBondContact O-ND2 3.18Å; T208-N272 VanDerWaalsContact CA-OD1 3.28Å; T208-N272 WeakPolarHBondContact CA-OD1 3.47Å; L209-N272 HydrophobicContact CD1-CB 4.48Å; L209-N272 HydrophobicContact CG-CB 4.3Å; L209-N272 PolarHBondContact N-OD1 3.3Å; F268-N272 HydrophobicContact CE1-CB 4.43Å; F268-N272 WeakPolarHBondContact CE2-ND2 3.16Å; F268-N272 WeakPolarHBondContact O-CB 3.25Å; F268-N272 PolarHBondContact O-N 2.93Å; F268-N272 PolarHBondContact O-ND2 3.43Å; N272-L274 HydrophobicContact CB-CD1 3.89Å; N272-L274 HydrophobicContact CB-CG 3.96Å; N272-L274 PolarHBondContact O-N 2.77Å
273N94.6Very high96.5Very high141 Ų14135.4 Ų35.475%0.75418%0.18SC*.THydrogen-bonded Turntrans52.751.2-175.9-170.284.7000112.7L269 Q270L269-N273 WeakPolarHBondContact O-CA 3.21Å; L269-N273 PolarHBondContact O-N 2.99Å; Q270-N273 PolarHBondContact O-N 3.21Å
274L94.5Very high96.3Very high13 Ų1333.9 Ų33.97%0.06817%0.169CC..  trans-110.8155.7179.5-62.8175.2000111.5L190 L196 L209 F268 L269 N272L190-L274 HydrophobicContact CD1-CD2 3.6Å; L196-L274 HydrophobicContact CB-CD1 3.89Å; L209-L274 HydrophobicContact CD1-CD1 4.49Å; L209-L274 HydrophobicContact CD1-CD2 4.43Å; L209-L274 HydrophobicContact CD2-CD1 4.35Å; F268-L274 HydrophobicContact CD1-CD1 4.49Å; F268-L274 HydrophobicContact CE1-CD1 3.91Å; L269-L274 HydrophobicContact CD2-CB 3.54Å; L269-L274 PolarHBondContact O-N 2.71Å; N272-L274 HydrophobicContact CB-CD1 3.89Å; N272-L274 HydrophobicContact CB-CG 3.96Å; N272-L274 PolarHBondContact O-N 2.77Å
275L89.4Confident95.9Very high40 Ų4037.2 Ų37.221%0.20919%0.186CC..SBendtrans-88.9-39.4-179.4-179.757000112.6Q194 F195 T297 F299Q194-L275 HydrophobicContact CB-CB 4.24Å; Q194-L275 PolarHBondContact O-N 2.84Å; F195-L275 HydrophobicContact CE1-CD2 4.31Å; F195-L275 HydrophobicContact CE1-CG 4.44Å; F195-L275 HydrophobicContact CE2-CD2 4.33Å; F195-L275 HydrophobicContact CZ-CD2 3.72Å; F195-L275 HydrophobicContact CZ-CG 4.32Å; L275-T297 HydrophobicContact CD1-CG2 4.04Å; L275-F299 HydrophobicContact CD1-CB 3.7Å; L275-F299 HydrophobicContact CD1-CD1 4.24Å; L275-F299 HydrophobicContact CD1-CG 3.98Å; L275-F299 HydrophobicContact CD2-CD1 4.47Å; L275-F299 HydrophobicContact CD2-CG 4.42Å; L275-F299 HydrophobicContact CG-CB 4.33Å; L275-F299 HydrophobicContact CG-CD1 3.93Å; L275-F299 HydrophobicContact CG-CE1 4.49Å; L275-F299 HydrophobicContact CG-CG 4.08Å
276S94.8Very high95.4Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-165.7164.3-176-169.90000111.8F195 L196 P300 S301F195-S276 WeakPolarHBondContact CA-O 3.49Å; L196-S276 PolarHBondContact N-O 2.77Å; S276-P300 VanDerWaalsContact CB-O 3.24Å; S276-P300 WeakPolarHBondContact CB-O 3.35Å; S276-P300 PolarHBondContact OG-O 3.02Å; S276-S301 PolarHBondContact OG-O 2.8Å
277I98.2Very high95Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-105130.4168-57.5-177.8000109.1L196 V198 L202 V265 F268 L269 S301 L302 I303L196-I277 HydrophobicContact CB-CG1 4.5Å; L196-I277 CarbonylContact O-C 3.59Å; L196-I277 WeakPolarHBondContact O-CA 3.46Å; V198-I277 HydrophobicContact CG2-CG2 4.15Å; L202-I277 HydrophobicContact CD1-CD1 3.85Å; L202-I277 HydrophobicContact CD2-CD1 3.76Å; L202-I277 HydrophobicContact CG-CD1 3.79Å; V265-I277 HydrophobicContact CG1-CD1 4.02Å; V265-I277 HydrophobicContact CG1-CG1 4.4Å; V265-I277 HydrophobicContact CG2-CD1 4.43Å; F268-I277 HydrophobicContact CD1-CD1 4.35Å; L269-I277 HydrophobicContact CD2-CG1 3.99Å; I277-S301 PolarHBondContact N-O 3.03Å; I277-L302 HydrophobicContact CB-CD1 3.72Å; I277-L302 HydrophobicContact CG2-CD1 3.79Å; I277-L302 CarbonylContact O-C 3.56Å; I277-L302 WeakPolarHBondContact O-CA 3.22Å; I277-I303 PolarHBondContact O-N 3.27Å
278L97.2Very high94.7Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-103.9126.1170.3-52.3-176.4000109.1V87 M191 F195 L196 C197 V198 I303V87-L278 HydrophobicContact CG2-CD1 4.17Å; M191-L278 HydrophobicContact CE-CD1 3.88Å; F195-L278 HydrophobicContact CB-CD1 4.29Å; F195-L278 HydrophobicContact CB-CG 4.25Å; F195-L278 HydrophobicContact CD1-CD1 4.18Å; F195-L278 HydrophobicContact CD1-CD2 4.01Å; F195-L278 HydrophobicContact CD1-CG 3.94Å; F195-L278 HydrophobicContact CE1-CD2 4.48Å; F195-L278 HydrophobicContact CG-CD1 4.31Å; F195-L278 HydrophobicContact CG-CG 4.38Å; L196-L278 PolarHBondContact O-N 3.27Å; C197-L278 WeakPolarHBondContact CA-O 3.43Å; V198-L278 PolarHBondContact N-O 2.91Å; V198-L278 VanDerWaalsContact N-O 3.1Å; L278-I303 HydrophobicContact CD2-CB 3.82Å; L278-I303 HydrophobicContact CD2-CD1 3.91Å; L278-I303 HydrophobicContact CD2-CG1 4.14Å
279R98.5Very high94.3Very high0 Ų039.7 Ų39.70%020%0.195CC..EExtended strand (participates in β ladder)trans-142.4176-179.66681.566.3154.410.4112.8V198 H199 G200 S233 D234 E282 L302 I303 T304 I305V198-R279 HydrophobicContact CG2-CB 4.19Å; V198-R279 WeakPolarHBondContact O-CA 3.42Å; H199-R279 WeakPolarHBondContact O-CB 3.45Å; G200-R279 PolarHBondContact O-NE 2.79Å; G200-R279 PolarHBondContact O-NH2 3.46Å; G200-R279 VanDerWaalsContact O-NH2 3.16Å; S233-R279 PolarHBondContact O-NH2 3.32Å; D234-R279 IonicContact OD1-CZ 3.18Å; D234-R279 IonicContact OD1-NH1 3.68Å; D234-R279 IonicContact OD1-NH2 2.8Å; D234-R279 PolarHBondContact OD1-NH2 3.49Å; R279-E282 IonicContact CZ-OE2 3.77Å; R279-E282 IonicContact NH1-OE2 3.15Å; R279-E282 PolarHBondContact NH1-OE2 3.33Å; R279-L302 HydrophobicContact CG-CD1 3.72Å; R279-L302 HydrophobicContact CG-CG 4.39Å; R279-I303 PolarHBondContact N-O 3Å; R279-T304 WeakPolarHBondContact CD-OG1 3.42Å; R279-T304 CarbonylContact O-C 3.42Å; R279-T304 WeakPolarHBondContact O-CA 3.37Å; R279-I305 PolarHBondContact O-N 3.03Å
280A97Very high94Very high0 Ų042 Ų420%021%0.207CC..  trans-130-123.4-176.900000110.7D90 L116 H199 E282 T304 I305D90-A280 WeakPolarHBondContact OD1-CB 3.35Å; L116-A280 HydrophobicContact CB-CB 3.98Å; L116-A280 HydrophobicContact CD1-CB 4.07Å; H199-A280 PolarHBondContact O-N 3.48Å; A280-E282 PolarHBondContact O-N 2.99Å; A280-T304 WeakPolarHBondContact O-CG2 3.34Å; A280-I305 VanDerWaalsContact CA-O 3.31Å; A280-I305 WeakPolarHBondContact CA-O 3.49Å; A280-I305 VanDerWaalsContact CB-O 3.28Å; A280-I305 WeakPolarHBondContact CB-O 3.2Å
281H98Very high93.9Very high6 Ų635.5 Ų35.53%0.02818%0.176CC..SBendtrans63.9-15.9163.6-168.953.4000118.5D90 N150 H199 W232 D234 R254D90-H281 PolarHBondContact OD1-N 2.98Å; D90-H281 WeakPolarHBondContact OD2-CA 3.5Å; D90-H281 PolarHBondContact OD2-N 2.99Å; N150-H281 VanDerWaalsContact CG-CE1 3.4Å; N150-H281 PolarHBondContact OD1-CE1 2.88Å; N150-H281 PolarHBondContact OD1-ND1 3.16Å; H199-H281 AromaticContact CD2-CG 3.94Å; H199-H281 AromaticContact CD2-ND1 3.78Å; H199-H281 AromaticContact NE2-CG 3.89Å; H199-H281 AromaticContact NE2-ND1 3.51Å; W232-H281 AromaticContact CE3-CE1 3.97Å; D234-H281 IonicContact OD1-CD2 2.72Å; D234-H281 PolarHBondContact OD1-CD2 2.97Å; R254-H281 PolarHBondContact NE-NE2 2.8Å; R254-H281 PolarHBondContact NH1-CE1 2.86Å; R254-H281 PolarHBondContact NH1-O 3.41Å; R254-H281 PolarHBondContact NH2-CD2 3.17Å; R254-H281 PolarHBondContact NH2-NE2 3.15Å; R254-H281 PolarHBondContact NH2-O 2.99Å
282E96.4Very high93.7Very high22 Ų2234.9 Ų34.910%0.10317%0.168CC..SBendtrans-121.7125170.8-77.9-176.486.600110.8P235 R279 A280 Q284 Y291 T304 K422P235-E282 WeakPolarHBondContact CD-OE2 3.43Å; P235-E282 WeakPolarHBondContact CG-OE2 3.38Å; R279-E282 IonicContact CZ-OE2 3.77Å; R279-E282 IonicContact NH1-OE2 3.15Å; R279-E282 PolarHBondContact NH1-OE2 3.33Å; A280-E282 PolarHBondContact O-N 2.99Å; E282-Q284 VanDerWaalsContact CB-NE2 3.29Å; E282-Q284 PolarHBondContact O-NE2 3.01Å; E282-Y291 PolarHBondContact OE2-OH 3.39Å; E282-T304 HydrophobicContact CB-CG2 4.41Å; E282-K422 IonicContact OE1-NZ 3.53Å
283A93.8Very high93.4Very high4 Ų435.9 Ų35.93%0.03317%0.171CC..  trans-57.7139.2170.800000111.6F306 Y311 Y315 F418A283-F306 HydrophobicContact CB-CD1 4.27Å; A283-F306 HydrophobicContact CB-CD2 4.43Å; A283-F306 HydrophobicContact CB-CE1 3.8Å; A283-F306 HydrophobicContact CB-CE2 3.99Å; A283-F306 HydrophobicContact CB-CZ 3.65Å; A283-Y311 HydrophobicContact CB-CD1 4.23Å; A283-Y315 HydrophobicContact CB-CE1 4.06Å; A283-F418 HydrophobicContact CB-CE2 4.4Å; A283-F418 HydrophobicContact CB-CZ 4.12Å; A283-F418 WeakPolarHBondContact O-CZ 3.49Å
284Q92.9Very high93.1Very high17 Ų1729.5 Ų29.58%0.07914%0.138CC..  trans-130.6136.9177.4-49.3-59.8-45.400109.8E282 A286 G287 R289 T304E282-Q284 VanDerWaalsContact CB-NE2 3.29Å; E282-Q284 PolarHBondContact O-NE2 3.01Å; Q284-A286 PolarHBondContact O-N 3.42Å; Q284-G287 WeakPolarHBondContact O-CA 3.45Å; Q284-G287 PolarHBondContact O-N 3.21Å; Q284-R289 HydrophobicContact CG-CB 4.16Å; Q284-R289 VanDerWaalsContact OE1-CB 3.31Å; Q284-T304 HydrophobicContact CG-CG2 3.87Å
285D89.1Confident92.8Very high77 Ų7736.4 Ų36.441%0.41217%0.17SC..THydrogen-bonded Turntrans-60.6-43.1-178.3-179.151.5000112.7G287 N317 K318 F418D285-G287 PolarHBondContact O-N 3Å; D285-N317 WeakPolarHBondContact O-CA 3.14Å; D285-K318 PolarHBondContact O-N 2.95Å; D285-F418 HydrophobicContact CB-CB 4.26Å; D285-F418 HydrophobicContact CB-CD1 4.18Å; D285-F418 HydrophobicContact CB-CD2 3.72Å; D285-F418 HydrophobicContact CB-CE2 4.1Å; D285-F418 HydrophobicContact CB-CG 3.78Å; D285-F418 VanDerWaalsContact N-CE2 3.33Å
286A87.4Confident92.5Very high38 Ų3839.7 Ų39.731%0.31419%0.191SC..THydrogen-bonded Turntrans-77.1-0.9173.600000114Q284 Y288Q284-A286 PolarHBondContact O-N 3.42Å; A286-Y288 HydrophobicContact CB-CD1 4.28Å; A286-Y288 HydrophobicContact CB-CE1 4.18Å; A286-Y288 WeakPolarHBondContact O-CD1 3.32Å; A286-Y288 PolarHBondContact O-N 2.87Å
287G88.4Confident91.9Very high0 Ų042.5 Ų42.50%021%0.209CC..SBendtrans74.7-3.6-169.300000114.4Q284 D285 F306 T320Q284-G287 WeakPolarHBondContact O-CA 3.45Å; Q284-G287 PolarHBondContact O-N 3.21Å; D285-G287 PolarHBondContact O-N 3Å; G287-F306 PolarHBondContact O-N 3.2Å; G287-T320 VanDerWaalsContact CA-OG1 3.24Å; G287-T320 WeakPolarHBondContact CA-OG1 3.45Å; G287-T320 PolarHBondContact O-OG1 2.75Å
288Y90.7Very high91.3Very high76 Ų7644.8 Ų44.830%0.29823%0.232SC..EExtended strand (participates in β ladder)trans-152.4162.3174.571.7-84.8000111.3A286 M290 T304 M322A286-Y288 HydrophobicContact CB-CD1 4.28Å; A286-Y288 HydrophobicContact CB-CE1 4.18Å; A286-Y288 WeakPolarHBondContact O-CD1 3.32Å; A286-Y288 PolarHBondContact O-N 2.87Å; Y288-M290 HydrophobicContact CD2-CG 4.43Å; Y288-M290 HydrophobicContact CE2-CG 4.49Å; Y288-T304 CarbonylContact C-O 3.34Å; Y288-T304 WeakPolarHBondContact CA-O 3.49Å; Y288-T304 WeakPolarHBondContact CB-O 3.39Å; Y288-M322 HydrophobicContact CD1-CB 4.39Å; Y288-M322 HydrophobicContact CD1-CE 4.11Å; Y288-M322 HydrophobicContact CD2-CE 3.44Å; Y288-M322 VanDerWaalsContact CD2-CE 3.44Å; Y288-M322 HydrophobicContact CD2-SD 4.24Å; Y288-M322 HydrophobicContact CE1-CB 4.43Å; Y288-M322 HydrophobicContact CE2-CE 4Å; Y288-M322 HydrophobicContact CE2-SD 4.2Å; Y288-M322 HydrophobicContact CG-CE 3.51Å
289R91.3Very high90.7Very high90 Ų9046.5 Ų46.534%0.3424%0.24SC..EExtended strand (participates in β ladder)trans-142125.5169.4179173.9173.6-174.7-1.5109.8Q284 Y291 I303 T304Q284-R289 HydrophobicContact CG-CB 4.16Å; Q284-R289 VanDerWaalsContact OE1-CB 3.31Å; R289-Y291 HydrophobicContact CB-CE2 3.92Å; R289-Y291 HydrophobicContact CG-CD2 4.03Å; R289-Y291 HydrophobicContact CG-CE1 4.47Å; R289-Y291 HydrophobicContact CG-CE2 3.65Å; R289-Y291 WeakPolarHBondContact O-CD2 3.46Å; R289-Y291 WeakPolarHBondContact O-CE2 3.41Å; R289-I303 WeakPolarHBondContact O-CA 3.28Å; R289-T304 PolarHBondContact N-O 3.02Å; R289-T304 PolarHBondContact O-N 3.49Å
290M89.5Confident90.4Very high54 Ų5446.7 Ų46.727%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-92.1134.8166.1-66.3-174.6175.800108.4Y288 P300 I303 M322 I329Y288-M290 HydrophobicContact CD2-CG 4.43Å; Y288-M290 HydrophobicContact CE2-CG 4.49Å; M290-P300 HydrophobicContact CB-CB 4.23Å; M290-P300 HydrophobicContact CB-CG 4.11Å; M290-P300 HydrophobicContact CG-CG 4.29Å; M290-P300 HydrophobicContact SD-CG 3.96Å; M290-I303 HydrophobicContact CE-CD1 4.35Å; M290-I303 HydrophobicContact CG-CD1 4.43Å; M290-I303 HydrophobicContact CG-CG1 4.29Å; M290-I303 HydrophobicContact CG-CG2 4.35Å; M290-M322 HydrophobicContact CE-CE 4.04Å; M290-M322 HydrophobicContact CE-SD 3.71Å; M290-I329 HydrophobicContact CE-CB 3.87Å; M290-I329 HydrophobicContact CE-CG2 3.65Å; M290-I329 HydrophobicContact SD-CG2 4.07Å
291Y94.4Very high90.3Very high10 Ų1046.7 Ų46.74%0.03924%0.241CC..  trans-104175-179.4-62.6-112.7000110.2P235 F239 E282 R289 K293 L302 T304P235-Y291 HydrophobicContact CB-CD1 4.39Å; P235-Y291 HydrophobicContact CB-CE1 3.84Å; P235-Y291 HydrophobicContact CG-CD1 4.48Å; P235-Y291 HydrophobicContact CG-CE1 3.52Å; F239-Y291 HydrophobicContact CB-CD1 4.18Å; F239-Y291 AromaticContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CD1 3.6Å; F239-Y291 HydrophobicContact CD1-CG 4.09Å; F239-Y291 HydrophobicContact CE1-CD1 4.18Å; F239-Y291 HydrophobicContact CE1-CG 4.25Å; F239-Y291 HydrophobicContact CG-CD1 4.04Å; E282-Y291 PolarHBondContact OE2-OH 3.39Å; R289-Y291 HydrophobicContact CB-CE2 3.92Å; R289-Y291 HydrophobicContact CG-CD2 4.03Å; R289-Y291 HydrophobicContact CG-CE1 4.47Å; R289-Y291 HydrophobicContact CG-CE2 3.65Å; R289-Y291 WeakPolarHBondContact O-CD2 3.46Å; R289-Y291 WeakPolarHBondContact O-CE2 3.41Å; Y291-K293 PolarHBondContact O-N 2.91Å; Y291-L302 HydrophobicContact CD1-CD2 4.06Å; Y291-L302 HydrophobicContact CD2-CB 4.02Å; Y291-L302 HydrophobicContact CD2-CD2 3.91Å; Y291-L302 HydrophobicContact CD2-CG 3.96Å; Y291-L302 WeakPolarHBondContact CD2-O 3.29Å; Y291-L302 HydrophobicContact CE1-CD2 4.09Å; Y291-L302 HydrophobicContact CE2-CD2 3.98Å; Y291-L302 HydrophobicContact CE2-CG 4.23Å; Y291-L302 HydrophobicContact CG-CB 4.09Å; Y291-L302 HydrophobicContact CG-CD2 3.97Å; Y291-L302 HydrophobicContact CG-CG 4.31Å; Y291-L302 PolarHBondContact N-O 3.04Å; Y291-T304 VanDerWaalsContact CE2-OG1 3.26Å; Y291-T304 WeakPolarHBondContact CE2-OG1 3.38Å; Y291-T304 PolarHBondContact OH-OG1 2.86Å
292R94.5Very high90.3Very high115 Ų11546.4 Ų46.443%0.43424%0.24SC..  trans-44.2130.2-176-175.6175.5-178.2-173.30.4112.3G240 Y262 S301G240-R292 WeakPolarHBondContact O-CD 3.41Å; G240-R292 PolarHBondContact O-NH1 3.17Å; Y262-R292 HydrophobicContact CD2-CB 3.82Å; Y262-R292 HydrophobicContact CD2-CG 4.04Å; Y262-R292 HydrophobicContact CE2-CB 3.82Å; Y262-R292 HydrophobicContact CE2-CG 3.62Å; Y262-R292 WeakPolarHBondContact CE2-O 3.46Å; R292-S301 WeakPolarHBondContact O-CB 3.46Å; R292-S301 PolarHBondContact O-N 2.75Å; R292-S301 VanDerWaalsContact O-N 3.13Å; R292-S301 PolarHBondContact O-OG 3.02Å
293K91.6Very high90.2Very high50 Ų5045.4 Ų45.422%0.21724%0.235CC..BIsolated β-bridgetrans-60.6139.3176.2-72.4167.3172.1165.70111.8Y262 Y291 Q295 G298 F299 P300 D332Y262-K293 WeakPolarHBondContact CE2-O 3.3Å; Y262-K293 PolarHBondContact OH-O 3.09Å; Y291-K293 PolarHBondContact O-N 2.91Å; K293-Q295 PolarHBondContact O-N 3.18Å; K293-G298 VanDerWaalsContact CD-O 3.29Å; K293-G298 WeakPolarHBondContact CD-O 3.32Å; K293-F299 CarbonylContact C-O 3.57Å; K293-F299 VanDerWaalsContact CA-O 3.3Å; K293-F299 WeakPolarHBondContact CA-O 3.3Å; K293-P300 HydrophobicContact CG-CG 4.4Å; K293-D332 VanDerWaalsContact CD-OD1 3.28Å; K293-D332 WeakPolarHBondContact CD-OD1 3.36Å; K293-D332 WeakPolarHBondContact CE-OD1 3.41Å; K293-D332 WeakPolarHBondContact CE-OD2 3.44Å; K293-D332 IonicContact NZ-OD1 3.44Å; K293-D332 PolarHBondContact NZ-OD1 2.95Å; K293-D332 IonicContact NZ-OD2 2.6Å; K293-D332 PolarHBondContact NZ-OD2 3.05Å
294S87.5Confident90.3Very high7 Ų745.2 Ų45.25%0.04923%0.234CC..  trans-66.3130168.5168.80000109.4T296 T297 G298 F299S294-T296 PolarHBondContact O-N 2.91Å; S294-T296 PolarHBondContact OG-N 3.09Å; S294-T297 WeakPolarHBondContact CB-OG1 3.41Å; S294-T297 PolarHBondContact O-N 3.45Å; S294-G298 PolarHBondContact O-N 2.82Å; S294-F299 PolarHBondContact N-O 2.83Å
295Q88.2Confident90.4Very high158 Ų15844.4 Ų44.474%0.73823%0.23SC*.THydrogen-bonded Turntrans-61-25.7179.2-65.8175.929.600112.3Y262 K293Y262-Q295 PolarHBondContact OH-N 2.95Å; K293-Q295 PolarHBondContact O-N 3.18Å
296T82.8Confident90.6Very high109 Ų10940.9 Ų40.967%0.66921%0.211SC*.THydrogen-bonded Turntrans-82-31.1-178.4-46.70000112.9S294S294-T296 PolarHBondContact O-N 2.91Å; S294-T296 PolarHBondContact OG-N 3.09Å
297T82.8Confident91Very high60 Ų6039.8 Ų39.837%0.36820%0.201SC..THydrogen-bonded Turntrans-111.1-20.4-173.367.90000114.1L275 S294 F299L275-T297 HydrophobicContact CD1-CG2 4.04Å; S294-T297 WeakPolarHBondContact CB-OG1 3.41Å; S294-T297 PolarHBondContact O-N 3.45Å; T297-F299 PolarHBondContact O-N 3.41Å; T297-F299 PolarHBondContact OG1-N 3.35Å
298G85.2Confident91.3Very high48 Ų4839.8 Ų39.850%0.49520%0.201SC..SBendtrans69.75.2-171.300000114.4K293 S294K293-G298 VanDerWaalsContact CD-O 3.29Å; K293-G298 WeakPolarHBondContact CD-O 3.32Å; S294-G298 PolarHBondContact O-N 2.82Å
299F85.6Confident91.3Very high36 Ų3636.8 Ų36.816%0.15819%0.191CC..SBendtrans-109.8148.5-176.9-167.8-88.9000110.5F195 L275 K293 S294 T297 S301 I303 V326F195-F299 AromaticContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CE1 3.84Å; F195-F299 HydrophobicContact CE1-CZ 4.17Å; F195-F299 HydrophobicContact CZ-CE1 4.4Å; F195-F299 HydrophobicContact CZ-CZ 4.38Å; L275-F299 HydrophobicContact CD1-CB 3.7Å; L275-F299 HydrophobicContact CD1-CD1 4.24Å; L275-F299 HydrophobicContact CD1-CG 3.98Å; L275-F299 HydrophobicContact CD2-CD1 4.47Å; L275-F299 HydrophobicContact CD2-CG 4.42Å; L275-F299 HydrophobicContact CG-CB 4.33Å; L275-F299 HydrophobicContact CG-CD1 3.93Å; L275-F299 HydrophobicContact CG-CE1 4.49Å; L275-F299 HydrophobicContact CG-CG 4.08Å; K293-F299 CarbonylContact C-O 3.57Å; K293-F299 VanDerWaalsContact CA-O 3.3Å; K293-F299 WeakPolarHBondContact CA-O 3.3Å; S294-F299 PolarHBondContact N-O 2.83Å; T297-F299 PolarHBondContact O-N 3.41Å; T297-F299 PolarHBondContact OG1-N 3.35Å; F299-S301 PolarHBondContact O-N 2.73Å; F299-I303 HydrophobicContact CE1-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 4.28Å; F299-V326 HydrophobicContact CZ-CG1 4.35Å
300P90.9Very high91.4Very high3 Ų335 Ų352%0.01919%0.188CC..BIsolated β-bridgetrans-48.4123.1176.5-31.737000112.3S276 M290 K293 L302 I303S276-P300 VanDerWaalsContact CB-O 3.24Å; S276-P300 WeakPolarHBondContact CB-O 3.35Å; S276-P300 PolarHBondContact OG-O 3.02Å; M290-P300 HydrophobicContact CB-CB 4.23Å; M290-P300 HydrophobicContact CB-CG 4.11Å; M290-P300 HydrophobicContact CG-CG 4.29Å; M290-P300 HydrophobicContact SD-CG 3.96Å; K293-P300 HydrophobicContact CG-CG 4.4Å; P300-L302 PolarHBondContact O-N 2.67Å; P300-I303 HydrophobicContact CB-CD1 4.32Å; P300-I303 HydrophobicContact CB-CG1 3.98Å
301S95.5Very high91.5Very high0 Ų032.9 Ų32.90%018%0.177CC..SBendtrans-68.7-28.6-177.264.20000112.5S276 I277 R292 F299S276-S301 PolarHBondContact OG-O 2.8Å; I277-S301 PolarHBondContact N-O 3.03Å; R292-S301 WeakPolarHBondContact O-CB 3.46Å; R292-S301 PolarHBondContact O-N 2.75Å; R292-S301 VanDerWaalsContact O-N 3.13Å; R292-S301 PolarHBondContact O-OG 3.02Å; F299-S301 PolarHBondContact O-N 2.73Å
302L97Very high91.3Very high0 Ų035 Ų350%019%0.189CC..EExtended strand (participates in β ladder)trans-137.6144.7178.2-175.372.7000109.4P235 F239 Y260 I277 R279 Y291 P300P235-L302 HydrophobicContact CB-CD2 3.63Å; P235-L302 HydrophobicContact CG-CD2 3.8Å; F239-L302 HydrophobicContact CE1-CB 4.27Å; F239-L302 HydrophobicContact CE2-CD2 4.34Å; F239-L302 HydrophobicContact CZ-CB 4.09Å; F239-L302 HydrophobicContact CZ-CD2 4.2Å; Y260-L302 HydrophobicContact CE2-CD1 4.24Å; Y260-L302 HydrophobicContact CE2-CD2 3.85Å; I277-L302 HydrophobicContact CB-CD1 3.72Å; I277-L302 HydrophobicContact CG2-CD1 3.79Å; I277-L302 CarbonylContact O-C 3.56Å; I277-L302 WeakPolarHBondContact O-CA 3.22Å; R279-L302 HydrophobicContact CG-CD1 3.72Å; R279-L302 HydrophobicContact CG-CG 4.39Å; Y291-L302 HydrophobicContact CD1-CD2 4.06Å; Y291-L302 HydrophobicContact CD2-CB 4.02Å; Y291-L302 HydrophobicContact CD2-CD2 3.91Å; Y291-L302 HydrophobicContact CD2-CG 3.96Å; Y291-L302 WeakPolarHBondContact CD2-O 3.29Å; Y291-L302 HydrophobicContact CE1-CD2 4.09Å; Y291-L302 HydrophobicContact CE2-CD2 3.98Å; Y291-L302 HydrophobicContact CE2-CG 4.23Å; Y291-L302 HydrophobicContact CG-CB 4.09Å; Y291-L302 HydrophobicContact CG-CD2 3.97Å; Y291-L302 HydrophobicContact CG-CG 4.31Å; Y291-L302 PolarHBondContact N-O 3.04Å; P300-L302 PolarHBondContact O-N 2.67Å
303I94.8Very high91.2Very high2 Ų236.2 Ų36.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-134.2124169.7-53179.8000108.9I277 L278 R279 R289 M290 F299 P300 I305I277-I303 PolarHBondContact O-N 3.27Å; L278-I303 HydrophobicContact CD2-CB 3.82Å; L278-I303 HydrophobicContact CD2-CD1 3.91Å; L278-I303 HydrophobicContact CD2-CG1 4.14Å; R279-I303 PolarHBondContact N-O 3Å; R289-I303 WeakPolarHBondContact O-CA 3.28Å; M290-I303 HydrophobicContact CE-CD1 4.35Å; M290-I303 HydrophobicContact CG-CD1 4.43Å; M290-I303 HydrophobicContact CG-CG1 4.29Å; M290-I303 HydrophobicContact CG-CG2 4.35Å; F299-I303 HydrophobicContact CE1-CD1 4.05Å; F299-I303 HydrophobicContact CZ-CD1 4.28Å; P300-I303 HydrophobicContact CB-CD1 4.32Å; P300-I303 HydrophobicContact CB-CG1 3.98Å; I303-I305 HydrophobicContact CG2-CG1 4.26Å
304T96Very high91Very high0 Ų036.7 Ų36.70%021%0.211CC..EExtended strand (participates in β ladder)trans-92.7133168.6-62.30000109.5R279 A280 E282 Q284 Y288 R289 Y291R279-T304 WeakPolarHBondContact CD-OG1 3.42Å; R279-T304 CarbonylContact O-C 3.42Å; R279-T304 WeakPolarHBondContact O-CA 3.37Å; A280-T304 WeakPolarHBondContact O-CG2 3.34Å; E282-T304 HydrophobicContact CB-CG2 4.41Å; Q284-T304 HydrophobicContact CG-CG2 3.87Å; Y288-T304 CarbonylContact C-O 3.34Å; Y288-T304 WeakPolarHBondContact CA-O 3.49Å; Y288-T304 WeakPolarHBondContact CB-O 3.39Å; R289-T304 PolarHBondContact N-O 3.02Å; R289-T304 PolarHBondContact O-N 3.49Å; Y291-T304 VanDerWaalsContact CE2-OG1 3.26Å; Y291-T304 WeakPolarHBondContact CE2-OG1 3.38Å; Y291-T304 PolarHBondContact OH-OG1 2.86Å
305I94Very high91.1Very high0 Ų036.4 Ų36.40%021%0.209CC..EExtended strand (participates in β ladder)trans-122.7128.9177-54.8162.7000107.8V87 G89 R279 A280 I303 V324V87-I305 HydrophobicContact CB-CD1 4.04Å; V87-I305 HydrophobicContact CG1-CD1 3.68Å; G89-I305 WeakPolarHBondContact CA-O 3.34Å; R279-I305 PolarHBondContact O-N 3.03Å; A280-I305 VanDerWaalsContact CA-O 3.31Å; A280-I305 WeakPolarHBondContact CA-O 3.49Å; A280-I305 VanDerWaalsContact CB-O 3.28Å; A280-I305 WeakPolarHBondContact CB-O 3.2Å; I303-I305 HydrophobicContact CG2-CG1 4.26Å; I305-V324 HydrophobicContact CD1-CG2 3.54Å; I305-V324 HydrophobicContact CG1-CG2 3.88Å; I305-V324 HydrophobicContact CG2-CG2 4.43Å
306F94.7Very high91.1Very high2 Ų235.2 Ų35.21%0.00921%0.207CC..  trans-126.9136.7178.6-169-109.2000109D90 A283 G287 A308 Y311D90-F306 HydrophobicContact CB-CD2 3.87Å; D90-F306 HydrophobicContact CB-CE2 3.72Å; D90-F306 WeakPolarHBondContact OD2-CD2 3.3Å; D90-F306 WeakPolarHBondContact OD2-CE2 3.49Å; A283-F306 HydrophobicContact CB-CD1 4.27Å; A283-F306 HydrophobicContact CB-CD2 4.43Å; A283-F306 HydrophobicContact CB-CE1 3.8Å; A283-F306 HydrophobicContact CB-CE2 3.99Å; A283-F306 HydrophobicContact CB-CZ 3.65Å; G287-F306 PolarHBondContact O-N 3.2Å; F306-A308 HydrophobicContact CE1-CB 3.91Å; F306-A308 WeakPolarHBondContact CE1-O 3.29Å; F306-A308 HydrophobicContact CZ-CB 3.96Å; F306-Y311 HydrophobicContact CE1-CD1 4.25Å; F306-Y311 HydrophobicContact CE1-CG 4.07Å; F306-Y311 AromaticContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD2 4.11Å; F306-Y311 HydrophobicContact CZ-CE1 4.1Å; F306-Y311 HydrophobicContact CZ-CE2 4.46Å; F306-Y311 AromaticContact CZ-CG 3.76Å; F306-Y311 HydrophobicContact CZ-CG 3.76Å
307S95.1Very high91.4Very high15 Ų1530.2 Ų30.211%0.10518%0.177CC..  trans-126.66.7-167.7-64.80000114.9G89 D90 P309G89-S307 PolarHBondContact N-OG 2.85Å; D90-S307 CarbonylContact O-C 3.25Å; D90-S307 VanDerWaalsContact O-CA 3.32Å; D90-S307 WeakPolarHBondContact O-CA 3.39Å; D90-S307 WeakPolarHBondContact O-CB 3.43Å; D90-S307 PolarHBondContact O-N 2.83Å; S307-P309 VanDerWaalsContact O-CD 3.29Å; S307-P309 WeakPolarHBondContact O-CD 3.4Å
308A94.4Very high91.2Very high1 Ų133.7 Ų33.71%0.00819%0.187CC..  trans-95.5100.4169.200000110.3D90 F306 Y311 N317D90-A308 PolarHBondContact O-N 2.94Å; F306-A308 HydrophobicContact CE1-CB 3.91Å; F306-A308 WeakPolarHBondContact CE1-O 3.29Å; F306-A308 HydrophobicContact CZ-CB 3.96Å; A308-Y311 HydrophobicContact CB-CD2 4.09Å; A308-N317 PolarHBondContact O-ND2 2.81Å
309P92.1Very high90.3Very high13 Ų1334.4 Ų34.48%0.08418%0.182CC..THydrogen-bonded Turntrans-76.7154177.435-38.4000111.4Q94 D97 S307 Y311 V319Q94-P309 PolarHBondContact NE2-O 3.41Å; D97-P309 HydrophobicContact CB-CG 3.67Å; D97-P309 VanDerWaalsContact CG-CG 3.42Å; D97-P309 WeakPolarHBondContact OD1-CG 3.31Å; S307-P309 VanDerWaalsContact O-CD 3.29Å; S307-P309 WeakPolarHBondContact O-CD 3.4Å; P309-Y311 PolarHBondContact O-N 3.22Å; P309-Y311 VanDerWaalsContact O-N 3.15Å; P309-V319 HydrophobicContact CB-CB 4.33Å; P309-V319 HydrophobicContact CB-CG2 3.45Å; P309-V319 VanDerWaalsContact CB-CG2 3.45Å; P309-V319 HydrophobicContact CG-CG2 3.73Å
310N92.1Very high88.9Confident53 Ų5333 Ų3328%0.28318%0.175SC..THydrogen-bonded Turntrans41.848.8-175.3-171.445.8000112.7D313 N316 N317N310-D313 WeakPolarHBondContact ND2-CA 3.24Å; N310-D313 PolarHBondContact ND2-O 3.49Å; N310-D313 VanDerWaalsContact O-CA 3.24Å; N310-D313 WeakPolarHBondContact O-CA 3.3Å; N310-D313 PolarHBondContact O-N 3.43Å; N310-N316 WeakPolarHBondContact OD1-CA 3.45Å; N310-N316 PolarHBondContact OD1-N 3.1Å; N310-N317 WeakPolarHBondContact CA-OD1 3.47Å; N310-N317 PolarHBondContact N-O 2.75Å; N310-N317 PolarHBondContact N-OD1 3.22Å
311Y92.5Very high86.7Confident8 Ų841.4 Ų41.43%0.03122%0.215CC..G310 helixtrans-54.3141.6-169.5178.1-132.4000111.9H92 R122 A283 F306 A308 P309 D313 V314 Y315 N317H92-Y311 HydrophobicContact CB-CE2 3.91Å; H92-Y311 AromaticContact CD2-CE2 3.35Å; H92-Y311 WeakPolarHBondContact CD2-CE2 3.33Å; H92-Y311 AromaticContact CD2-CZ 3.59Å; H92-Y311 PolarHBondContact CD2-OH 3.03Å; H92-Y311 AromaticContact CG-CE2 3.85Å; H92-Y311 PolarHBondContact NE2-OH 3.15Å; R122-Y311 HydrophobicContact CB-CE2 4.24Å; R122-Y311 HydrophobicContact CG-CE2 4.43Å; R122-Y311 VanDerWaalsContact CZ-OH 3.26Å; R122-Y311 PolarHBondContact NH1-OH 3.21Å; A283-Y311 HydrophobicContact CB-CD1 4.23Å; F306-Y311 HydrophobicContact CE1-CD1 4.25Å; F306-Y311 HydrophobicContact CE1-CG 4.07Å; F306-Y311 AromaticContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD1 3.75Å; F306-Y311 HydrophobicContact CZ-CD2 4.11Å; F306-Y311 HydrophobicContact CZ-CE1 4.1Å; F306-Y311 HydrophobicContact CZ-CE2 4.46Å; F306-Y311 AromaticContact CZ-CG 3.76Å; F306-Y311 HydrophobicContact CZ-CG 3.76Å; A308-Y311 HydrophobicContact CB-CD2 4.09Å; P309-Y311 PolarHBondContact O-N 3.22Å; P309-Y311 VanDerWaalsContact O-N 3.15Å; Y311-D313 PolarHBondContact O-N 2.94Å; Y311-D313 VanDerWaalsContact O-N 3.09Å; Y311-V314 PolarHBondContact O-N 2.9Å; Y311-Y315 AromaticContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CE1 4.37Å; Y311-Y315 AromaticContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CG 4.12Å; Y311-Y315 AromaticContact CD1-CZ 3.76Å; Y311-Y315 HydrophobicContact CE1-CD2 4.39Å; Y311-Y315 AromaticContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CG-CD2 4.1Å; Y311-Y315 HydrophobicContact CG-CE2 4.28Å; Y311-Y315 WeakPolarHBondContact O-CB 3.39Å; Y311-Y315 VanDerWaalsContact O-CD2 3.3Å; Y311-Y315 WeakPolarHBondContact O-CD2 3.44Å; Y311-Y315 PolarHBondContact O-N 2.82Å; Y311-N317 WeakPolarHBondContact CB-OD1 3.36Å; Y311-N317 PolarHBondContact N-OD1 2.86Å
312L90.1Very high84.4Confident56 Ų5642.6 Ų42.629%0.29322%0.22SC..G310 helixtrans53.822-172-49-172.8000114.9R122 V314 Y315 D425R122-L312 HydrophobicContact CB-CD2 3.66Å; R122-L312 HydrophobicContact CG-CD2 4.32Å; L312-V314 HydrophobicContact CB-CG2 3.96Å; L312-V314 PolarHBondContact O-N 3.31Å; L312-V314 VanDerWaalsContact O-N 3.13Å; L312-Y315 HydrophobicContact CB-CD2 4.4Å; L312-Y315 HydrophobicContact CD1-CD2 4.44Å; L312-Y315 HydrophobicContact CD1-CE2 3.87Å; L312-Y315 HydrophobicContact CG-CD2 4.28Å; L312-Y315 HydrophobicContact CG-CE2 4.08Å; L312-D425 HydrophobicContact CD1-CB 4.22Å; L312-D425 WeakPolarHBondContact CD1-OD1 3.45Å
313D91.4Very high82.2Confident140 Ų14043.3 Ų43.375%0.74922%0.224SC*.G310 helixtrans59.78-169.7-70.6-57.8000115.5N310 Y311N310-D313 WeakPolarHBondContact ND2-CA 3.24Å; N310-D313 PolarHBondContact ND2-O 3.49Å; N310-D313 VanDerWaalsContact O-CA 3.24Å; N310-D313 WeakPolarHBondContact O-CA 3.3Å; N310-D313 PolarHBondContact O-N 3.43Å; Y311-D313 PolarHBondContact O-N 2.94Å; Y311-D313 VanDerWaalsContact O-N 3.09Å
314V88.4Confident80Confident60 Ų6043.4 Ų43.436%0.36423%0.225SC..THydrogen-bonded Turntrans-133.5-19.7-170.8-62.10000116.4Y311 L312 N316 I415 A421Y311-V314 PolarHBondContact O-N 2.9Å; L312-V314 HydrophobicContact CB-CG2 3.96Å; L312-V314 PolarHBondContact O-N 3.31Å; L312-V314 VanDerWaalsContact O-N 3.13Å; V314-N316 VanDerWaalsContact C-N 3.28Å; V314-N316 PolarHBondContact O-N 3.35Å; V314-I415 HydrophobicContact CB-CD1 3.75Å; V314-I415 HydrophobicContact CG1-CD1 4.07Å; V314-I415 HydrophobicContact CG2-CD1 3.91Å; V314-A421 HydrophobicContact CG2-CB 4.45Å
315Y90Very high77.6Confident1 Ų148.8 Ų48.80%0.00425%0.254CS..SBendtrans-70.4-23.6-179.6-87.8-103.8000113.2A283 Y311 L312 N317 F418 A421 K422 D425A283-Y315 HydrophobicContact CB-CE1 4.06Å; Y311-Y315 AromaticContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CD2 3.54Å; Y311-Y315 HydrophobicContact CD1-CE1 4.37Å; Y311-Y315 AromaticContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CE2 3.33Å; Y311-Y315 HydrophobicContact CD1-CG 4.12Å; Y311-Y315 AromaticContact CD1-CZ 3.76Å; Y311-Y315 HydrophobicContact CE1-CD2 4.39Å; Y311-Y315 AromaticContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CE1-CE2 3.75Å; Y311-Y315 HydrophobicContact CG-CD2 4.1Å; Y311-Y315 HydrophobicContact CG-CE2 4.28Å; Y311-Y315 WeakPolarHBondContact O-CB 3.39Å; Y311-Y315 VanDerWaalsContact O-CD2 3.3Å; Y311-Y315 WeakPolarHBondContact O-CD2 3.44Å; Y311-Y315 PolarHBondContact O-N 2.82Å; L312-Y315 HydrophobicContact CB-CD2 4.4Å; L312-Y315 HydrophobicContact CD1-CD2 4.44Å; L312-Y315 HydrophobicContact CD1-CE2 3.87Å; L312-Y315 HydrophobicContact CG-CD2 4.28Å; L312-Y315 HydrophobicContact CG-CE2 4.08Å; Y315-N317 WeakPolarHBondContact CB-OD1 3.46Å; Y315-N317 PolarHBondContact O-N 3.28Å; Y315-F418 AromaticContact CD1-CD2 3.74Å; Y315-F418 HydrophobicContact CD1-CD2 3.74Å; Y315-F418 AromaticContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CG 4.41Å; Y315-F418 HydrophobicContact CD1-CZ 4.05Å; Y315-F418 HydrophobicContact CE1-CE2 4.15Å; Y315-F418 HydrophobicContact CE1-CZ 4.21Å; Y315-A421 HydrophobicContact CD1-CB 3.66Å; Y315-A421 HydrophobicContact CD2-CB 3.71Å; Y315-A421 HydrophobicContact CE1-CB 4.1Å; Y315-A421 HydrophobicContact CE2-CB 4.14Å; Y315-A421 HydrophobicContact CG-CB 3.5Å; Y315-K422 HydrophobicContact CE1-CB 3.87Å; Y315-K422 HydrophobicContact CE1-CG 4.48Å; Y315-D425 HydrophobicContact CE2-CB 4.06Å; Y315-D425 VanDerWaalsContact OH-CB 3.3Å; Y315-D425 WeakPolarHBondContact OH-CB 3.48Å; Y315-D425 PolarHBondContact OH-OD2 3.44Å
316N88.3Confident75.2Confident132 Ų13250 Ų5071%0.70626%0.261SS*.  trans54.817.3-176.6-166.977.9000114.7N310 V314N310-N316 WeakPolarHBondContact OD1-CA 3.45Å; N310-N316 PolarHBondContact OD1-N 3.1Å; V314-N316 VanDerWaalsContact C-N 3.28Å; V314-N316 PolarHBondContact O-N 3.35Å
317N87.2Confident72.4Confident5 Ų557.8 Ų57.83%0.02730%0.302CS..PPolyproline II helixtrans-68.4156.3175.468.5-70.5000111.7D285 A308 N310 Y311 Y315 F418D285-N317 WeakPolarHBondContact O-CA 3.14Å; A308-N317 PolarHBondContact O-ND2 2.81Å; N310-N317 WeakPolarHBondContact CA-OD1 3.47Å; N310-N317 PolarHBondContact N-O 2.75Å; N310-N317 PolarHBondContact N-OD1 3.22Å; Y311-N317 WeakPolarHBondContact CB-OD1 3.36Å; Y311-N317 PolarHBondContact N-OD1 2.86Å; Y315-N317 WeakPolarHBondContact CB-OD1 3.46Å; Y315-N317 PolarHBondContact O-N 3.28Å; N317-F418 HydrophobicContact CB-CD2 3.88Å; N317-F418 HydrophobicContact CB-CE2 3.84Å
318K79.1Confident69.4Low132 Ų13264.2 Ų64.257%0.57434%0.335SS*.PPolyproline II helixtrans-79.9156.1-173.3-61.5176.6-173.4168.80112.8D285 T320D285-K318 PolarHBondContact O-N 2.95Å; K318-T320 PolarHBondContact O-N 2.87Å
319V66.6Low66.5Low64 Ų6468 Ų6839%0.38835%0.354SS..PPolyproline II helixtrans-61.1131151.7174.30000107.3P309 E321P309-V319 HydrophobicContact CB-CB 4.33Å; P309-V319 HydrophobicContact CB-CG2 3.45Å; P309-V319 VanDerWaalsContact CB-CG2 3.45Å; P309-V319 HydrophobicContact CG-CG2 3.73Å; V319-E321 PolarHBondContact O-N 3.41Å
320T55.9Low63.4Low5 Ų570.3 Ų70.33%0.03137%0.37CS..  trans-64.8103.5167.7-104.80000109.3G287 K318 M322G287-T320 VanDerWaalsContact CA-OG1 3.24Å; G287-T320 WeakPolarHBondContact CA-OG1 3.45Å; G287-T320 PolarHBondContact O-OG1 2.75Å; K318-T320 PolarHBondContact O-N 2.87Å; T320-M322 HydrophobicContact CG2-CB 4.31Å; T320-M322 WeakPolarHBondContact CG2-O 3.3Å; T320-M322 PolarHBondContact O-N 3.17Å
321E45.6Very low60.4Low181 Ų18173.1 Ų73.185%0.84639%0.394SS*.SBendtrans-64.3-29.4168.8-69-169.6154.300110.7V319 L323V319-E321 PolarHBondContact O-N 3.41Å; E321-L323 PolarHBondContact O-N 3.29Å
322M47.9Very low57.3Low24 Ų2477.5 Ų77.512%0.11842%0.418CS..  trans-74.154.4170.9-166.4-175.373.900111.5Y288 M290 T320 V324 I329Y288-M322 HydrophobicContact CD1-CB 4.39Å; Y288-M322 HydrophobicContact CD1-CE 4.11Å; Y288-M322 HydrophobicContact CD2-CE 3.44Å; Y288-M322 VanDerWaalsContact CD2-CE 3.44Å; Y288-M322 HydrophobicContact CD2-SD 4.24Å; Y288-M322 HydrophobicContact CE1-CB 4.43Å; Y288-M322 HydrophobicContact CE2-CE 4Å; Y288-M322 HydrophobicContact CE2-SD 4.2Å; Y288-M322 HydrophobicContact CG-CE 3.51Å; M290-M322 HydrophobicContact CE-CE 4.04Å; M290-M322 HydrophobicContact CE-SD 3.71Å; T320-M322 HydrophobicContact CG2-CB 4.31Å; T320-M322 WeakPolarHBondContact CG2-O 3.3Å; T320-M322 PolarHBondContact O-N 3.17Å; M322-V324 HydrophobicContact CE-CG1 4.29Å; M322-V324 HydrophobicContact CE-CG2 3.98Å; M322-V324 HydrophobicContact CG-CG1 4.31Å; M322-V324 HydrophobicContact CG-CG2 4.44Å; M322-V324 WeakPolarHBondContact O-CA 3.34Å; M322-V324 WeakPolarHBondContact O-CG2 3.5Å; M322-V324 PolarHBondContact O-N 3.03Å; M322-I329 HydrophobicContact CG-CD1 3.99Å; M322-I329 HydrophobicContact SD-CB 4.38Å; M322-I329 HydrophobicContact SD-CD1 3.73Å; M322-I329 HydrophobicContact SD-CG1 4.5Å
323L50.7Low54.3Low15 Ų1582.3 Ų82.38%0.07944%0.444CS..  trans-61.6105.6165-93.9167.1000107.2T86 L101 V104 E321 N325T86-L323 HydrophobicContact CG2-CB 3.96Å; T86-L323 HydrophobicContact CG2-CD2 3.7Å; T86-L323 HydrophobicContact CG2-CG 4.31Å; L101-L323 HydrophobicContact CG-CD1 4.3Å; L101-L323 HydrophobicContact CG-CD2 4.24Å; V104-L323 HydrophobicContact CB-CD1 3.83Å; V104-L323 HydrophobicContact CG1-CD1 3.87Å; E321-L323 PolarHBondContact O-N 3.29Å; L323-N325 PolarHBondContact O-N 2.56Å
324V47.8Very low51.3Low4 Ų484.8 Ų84.82%0.02445%0.451CS..  trans-74.892-137.6-160.70000113.3I305 M322 V326I305-V324 HydrophobicContact CD1-CG2 3.54Å; I305-V324 HydrophobicContact CG1-CG2 3.88Å; I305-V324 HydrophobicContact CG2-CG2 4.43Å; M322-V324 HydrophobicContact CE-CG1 4.29Å; M322-V324 HydrophobicContact CE-CG2 3.98Å; M322-V324 HydrophobicContact CG-CG1 4.31Å; M322-V324 HydrophobicContact CG-CG2 4.44Å; M322-V324 WeakPolarHBondContact O-CA 3.34Å; M322-V324 WeakPolarHBondContact O-CG2 3.5Å; M322-V324 PolarHBondContact O-N 3.03Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 HydrophobicContact CB-CG2 4.3Å; V324-V326 HydrophobicContact CG1-CB 4.31Å; V324-V326 HydrophobicContact CG1-CG2 3.84Å; V324-V326 VanDerWaalsContact O-CG2 3.24Å; V324-V326 WeakPolarHBondContact O-CG2 3.47Å; V324-V326 PolarHBondContact O-N 2.69Å; V324-V326 VanDerWaalsContact O-N 3.11Å
325N46.6Very low48.4Very low113 Ų11389 Ų8960%0.60447%0.471SS*.  trans-72.492.9154-80-48.4000107.9L323 L327L323-N325 PolarHBondContact O-N 2.56Å; N325-L327 PolarHBondContact O-N 2.92Å
326V43.2Very low45.3Very low26 Ų2692.4 Ų92.416%0.15851%0.506CS..THydrogen-bonded Turntrans-61.34.2-160.8-164.30000116.4M191 F195 F299 V324M191-V326 HydrophobicContact CE-CG2 3.77Å; F195-V326 HydrophobicContact CD1-CG1 4.48Å; F195-V326 HydrophobicContact CE1-CG1 3.66Å; F195-V326 HydrophobicContact CE2-CG1 3.96Å; F195-V326 HydrophobicContact CZ-CB 4.47Å; F195-V326 HydrophobicContact CZ-CG1 3.36Å; F299-V326 HydrophobicContact CZ-CG1 4.35Å; V324-V326 VanDerWaalsContact C-N 3.35Å; V324-V326 HydrophobicContact CB-CG2 4.3Å; V324-V326 HydrophobicContact CG1-CB 4.31Å; V324-V326 HydrophobicContact CG1-CG2 3.84Å; V324-V326 VanDerWaalsContact O-CG2 3.24Å; V324-V326 WeakPolarHBondContact O-CG2 3.47Å; V324-V326 PolarHBondContact O-N 2.69Å; V324-V326 VanDerWaalsContact O-N 3.11Å
327L35.7Very low42.4Very low166 Ų16690.7 Ų90.787%0.86951%0.505SS*.THydrogen-bonded Turntrans-95.2-6.8-169.1-66.8173.9000116.2N325N325-L327 PolarHBondContact O-N 2.92Å
328N31.9Very low39.6Very low150 Ų15097 Ų9780%0.80253%0.534SS*.SBendtrans-127.6-0.6-154.1-105.913.5000119.7
329I33.2Very low37.1Very low79 Ų7997.8 Ų97.841%0.40554%0.54SS..  trans-131.1122.2-174-64.7-176.4000112.2M290 M322M290-I329 HydrophobicContact CE-CB 3.87Å; M290-I329 HydrophobicContact CE-CG2 3.65Å; M290-I329 HydrophobicContact SD-CG2 4.07Å; M322-I329 HydrophobicContact CG-CD1 3.99Å; M322-I329 HydrophobicContact SD-CB 4.38Å; M322-I329 HydrophobicContact SD-CD1 3.73Å; M322-I329 HydrophobicContact SD-CG1 4.5Å
330C26.9Very low35.2Very low63 Ų63102.2 Ų102.243%0.42656%0.561SS.*  trans-164.2110173.8-99.30000111.9
331S29.2Very low34Very low111 Ų111104.7 Ų104.778%0.77659%0.588SS**  trans-163.3140.3159.253.70000108.8
332D26.6Very low33.1Very low100 Ų100106 Ų10654%0.53559%0.592SS.*  trans-111.8150-176.3-28.9-78.1000109.6K293K293-D332 VanDerWaalsContact CD-OD1 3.28Å; K293-D332 WeakPolarHBondContact CD-OD1 3.36Å; K293-D332 WeakPolarHBondContact CE-OD1 3.41Å; K293-D332 WeakPolarHBondContact CE-OD2 3.44Å; K293-D332 IonicContact NZ-OD1 3.44Å; K293-D332 PolarHBondContact NZ-OD1 2.95Å; K293-D332 IonicContact NZ-OD2 2.6Å; K293-D332 PolarHBondContact NZ-OD2 3.05Å
333D28.1Very low32.4Very low158 Ų158111.9 Ų111.985%0.84562%0.623SS**  trans179.7132.2138.6-96.9-25000112.1
334E28.9Very low31.6Very low191 Ų191114.1 Ų114.189%0.89365%0.65SS**  trans147.2141.6144.7-79.9-172.9178.200112.4
335L26Very low30.7Very low148 Ų148118.1 Ų118.178%0.77568%0.684SS**  trans-145.8132.2-156.2-76.6164.2000114.7
336G26.1Very low30.4Very low73 Ų73119.5 Ų119.575%0.75370%0.696SS**  trans78.2166.1155.600000119.4
337S27.8Very low30.3Very low96 Ų96123 Ų12367%0.67173%0.727SS**  cis176.6136.5-19.246.20000113.2
338E27.7Very low30.8Very low137 Ų137118.3 Ų118.364%0.6471%0.713SS**  trans68.3168.5146.9-62166-136.500120K243K243-E338 VanDerWaalsContact CE-OE1 3.26Å; K243-E338 WeakPolarHBondContact CE-OE1 3.31Å; K243-E338 VanDerWaalsContact CE-OE2 3.31Å; K243-E338 WeakPolarHBondContact CE-OE2 3.39Å; K243-E338 IonicContact NZ-OE1 3.76Å; K243-E338 IonicContact NZ-OE2 3.15Å; K243-E338 PolarHBondContact NZ-OE2 3.11Å
339E27.3Very low31.2Very low149 Ų149114.3 Ų114.370%0.69670%0.7SS**  cis-172.3166.6-29.6-97.9172.3-169.200107.1K243K243-E339 IonicContact NZ-OE1 2.7Å; K243-E339 PolarHBondContact NZ-OE1 2.82Å; K243-E339 IonicContact NZ-OE2 3.33Å; K243-E339 PolarHBondContact NZ-OE2 2.85Å
340D26.9Very low31.5Very low157 Ų157121.8 Ų121.884%0.8472%0.724SS**  cis-165.2167.1-20.2173.648.2000109.8
341G29.2Very low32.4Very low58 Ų58126.3 Ų126.360%0.59874%0.736SS**  trans97157.2154.800000118.4
342F28Very low33.1Very low209 Ų209123.8 Ų123.892%0.91771%0.712SS**  cis-159.1172.1-4.1-171.9-99.7000111
343D32.6Very low33.7Very low147 Ų147123.4 Ų123.479%0.78671%0.713SS**  trans-118.9171.4-168.5178.444.5000115.8
344G32.8Very low34.3Very low62 Ų62121.9 Ų121.964%0.63970%0.704SS**  trans149.6115.3148.500000117.9
345A30.5Very low34.8Very low88 Ų88118.1 Ų118.173%0.72768%0.681SS**  trans-157.852.6174.700000117.6A347A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 PolarHBondContact O-N 2.89Å
346T39.1Very low35.2Very low142 Ų142115 Ų11587%0.87167%0.665SS**THydrogen-bonded Turntrans-78.938.6-169.2-290000117
347A41.2Very low35.8Very low98 Ų98119 Ų11981%0.8166%0.662SS**THydrogen-bonded Turntrans-93.4-16.3177.600000114.7A345A345-A347 VanDerWaalsContact C-N 3.27Å; A345-A347 PolarHBondContact O-N 2.89Å
348A46.6Very low36.2Very low69 Ų69120.6 Ų120.657%0.5766%0.662SS**SBendtrans-80.1-25.2-17000000115.1R350 K351A348-R350 PolarHBondContact O-N 3.23Å; A348-K351 PolarHBondContact O-N 3.08Å
349A39.6Very low36.7Very low65 Ų65119.3 Ų119.354%0.53765%0.651SS.*Hα-helixtrans-54.9-42.5-16300000114.7K351 E352A349-K351 VanDerWaalsContact C-N 3.3Å; A349-K351 PolarHBondContact O-N 3.33Å; A349-E352 PolarHBondContact O-N 3.07Å
350R41.4Very low37.1Very low237 Ų237114.7 Ų114.789%0.89464%0.639SS**Hα-helixtrans-70.9-20.4-179.8-74.9-174.8172.3-174.3-2.4114.2A348A348-R350 PolarHBondContact O-N 3.23Å
351K44.8Very low37.7Very low158 Ų158113.7 Ų113.769%0.68763%0.632SS**Hα-helixtrans-88.2-14.7179.7-146.5166.8-169.6171.20112.9A348 A349A348-K351 PolarHBondContact O-N 3.08Å; A349-K351 VanDerWaalsContact C-N 3.3Å; A349-K351 PolarHBondContact O-N 3.33Å
352E44Very low38.3Very low58 Ų58113 Ų11327%0.27162%0.624SS.*Hα-helixtrans-92.5-31.9-172.7-166.169.2158.700113.6A349 I354 R355 N356 R359A349-E352 PolarHBondContact O-N 3.07Å; E352-I354 VanDerWaalsContact C-N 3.34Å; E352-I354 PolarHBondContact O-N 3.42Å; E352-R355 CarbonylContact O-C 3.54Å; E352-R355 WeakPolarHBondContact O-CB 3.44Å; E352-R355 PolarHBondContact O-N 3.25Å; E352-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 WeakPolarHBondContact OE2-CD 3.34Å; E352-R355 IonicContact OE2-CZ 3.77Å; E352-R355 IonicContact OE2-NE 2.67Å; E352-R355 IonicContact OE2-NH1 3.34Å; E352-R355 PolarHBondContact OE2-NH1 3.42Å; E352-N356 WeakPolarHBondContact O-CB 3.45Å; E352-N356 VanDerWaalsContact O-CG 3.25Å; E352-N356 PolarHBondContact O-N 3.39Å; E352-R359 VanDerWaalsContact CD-NH1 3.27Å; E352-R359 IonicContact OE1-CZ 3.57Å; E352-R359 IonicContact OE1-NH1 2.68Å; E352-R359 PolarHBondContact OE1-NH1 3.23Å; E352-R359 IonicContact OE2-NH1 2.71Å; E352-R359 PolarHBondContact OE2-NH1 3.19Å
353V38.1Very low38.9Very low92 Ų92107.9 Ų107.956%0.55860%0.601SS**Hα-helixtrans-56.5-43.9-179178.90000112.8
354I41Very low39.3Very low126 Ų126106.2 Ų106.265%0.64659%0.59SS**Hα-helixtrans-70.1-40.6178-60.7174.9000110.5E352 N356 K357E352-I354 VanDerWaalsContact C-N 3.34Å; E352-I354 PolarHBondContact O-N 3.42Å; I354-N356 VanDerWaalsContact C-N 3.29Å; I354-N356 PolarHBondContact O-N 3.32Å; I354-K357 PolarHBondContact O-N 3.13Å
355R39.9Very low39.7Very low112 Ų112106.7 Ų106.742%0.42359%0.588SS.*Hα-helixtrans-64.5-34.7178.2-158.5-174.8-72.1147.8-18.4111.8E352 R359E352-R355 CarbonylContact O-C 3.54Å; E352-R355 WeakPolarHBondContact O-CB 3.44Å; E352-R355 PolarHBondContact O-N 3.25Å; E352-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 WeakPolarHBondContact OE2-CD 3.34Å; E352-R355 IonicContact OE2-CZ 3.77Å; E352-R355 IonicContact OE2-NE 2.67Å; E352-R355 IonicContact OE2-NH1 3.34Å; E352-R355 PolarHBondContact OE2-NH1 3.42Å; R355-R359 WeakPolarHBondContact O-CB 3.42Å; R355-R359 VanDerWaalsContact O-CG 3.25Å; R355-R359 WeakPolarHBondContact O-CG 3.17Å; R355-R359 PolarHBondContact O-N 2.68Å
356N34.9Very low40.7Very low81 Ų81109.3 Ų109.343%0.43358%0.579SS.*Hα-helixtrans-66.8-38179.4-77.1-11.2000113.2E352 I354 R359 A360E352-N356 WeakPolarHBondContact O-CB 3.45Å; E352-N356 VanDerWaalsContact O-CG 3.25Å; E352-N356 PolarHBondContact O-N 3.39Å; I354-N356 VanDerWaalsContact C-N 3.29Å; I354-N356 PolarHBondContact O-N 3.32Å; N356-R359 PolarHBondContact O-N 2.75Å; N356-A360 WeakPolarHBondContact O-CB 3.29Å; N356-A360 PolarHBondContact O-N 3.3Å
357K37.6Very low41.3Very low159 Ų159103.9 Ų103.969%0.69155%0.546SS*.Hα-helixtrans-63.3-44.2176.9-70.2-173.5175.4-175.50112.1I354 A360I354-K357 PolarHBondContact O-N 3.13Å; K357-A360 PolarHBondContact O-N 3.19Å
358I36.1Very low41.8Very low129 Ų129105.4 Ų105.466%0.66253%0.534SS*.Hα-helixtrans-67.3-42.7175.9-61175.7000110.7A360 G362I358-A360 VanDerWaalsContact C-N 3.34Å; I358-A360 PolarHBondContact O-N 3.35Å; I358-G362 PolarHBondContact O-N 3.29Å
359R38.6Very low42.3Very low109 Ų109104.2 Ų104.241%0.41152%0.522SS..Hα-helixtrans-62.8-35.4176.6-78170.1167.4173.8-5.5113.1E352 R355 N356 G362 K363E352-R359 VanDerWaalsContact CD-NH1 3.27Å; E352-R359 IonicContact OE1-CZ 3.57Å; E352-R359 IonicContact OE1-NH1 2.68Å; E352-R359 PolarHBondContact OE1-NH1 3.23Å; E352-R359 IonicContact OE2-NH1 2.71Å; E352-R359 PolarHBondContact OE2-NH1 3.19Å; R355-R359 WeakPolarHBondContact O-CB 3.42Å; R355-R359 VanDerWaalsContact O-CG 3.25Å; R355-R359 WeakPolarHBondContact O-CG 3.17Å; R355-R359 PolarHBondContact O-N 2.68Å; N356-R359 PolarHBondContact O-N 2.75Å; R359-G362 PolarHBondContact O-N 3.26Å; R359-K363 VanDerWaalsContact O-CB 3.28Å; R359-K363 WeakPolarHBondContact O-CB 3.14Å; R359-K363 VanDerWaalsContact O-CG 3.26Å; R359-K363 WeakPolarHBondContact O-CG 3.19Å; R359-K363 PolarHBondContact O-N 3.16Å
360A36Very low43.3Very low53 Ų53101.5 Ų101.544%0.43850%0.498SS..Hα-helixtrans-61-47.8-177.900000112.3N356 K357 I358 K363 M364N356-A360 WeakPolarHBondContact O-CB 3.29Å; N356-A360 PolarHBondContact O-N 3.3Å; K357-A360 PolarHBondContact O-N 3.19Å; I358-A360 VanDerWaalsContact C-N 3.34Å; I358-A360 PolarHBondContact O-N 3.35Å; A360-K363 PolarHBondContact O-N 2.98Å; A360-M364 WeakPolarHBondContact O-CG 3.3Å; A360-M364 PolarHBondContact O-N 2.87Å
361I39.2Very low44.2Very low136 Ų13693.4 Ų93.470%0.69747%0.472SS*.Hα-helixtrans-64.7-46.1178.7-63.7163.9000110.4K363 M364 A365I361-K363 VanDerWaalsContact C-N 3.33Å; I361-K363 PolarHBondContact O-N 2.98Å; I361-M364 PolarHBondContact O-N 3.25Å; I361-A365 PolarHBondContact O-N 2.7Å
362G41.9Very low45Very low42 Ų4294.9 Ų94.943%0.43347%0.474SS..Hα-helixtrans-64.1-33.6176.500000114I358 R359 R366I358-G362 PolarHBondContact O-N 3.29Å; R359-G362 PolarHBondContact O-N 3.26Å; G362-R366 WeakPolarHBondContact O-CB 2.97Å; G362-R366 PolarHBondContact O-N 3.15Å
363K40.9Very low46.4Very low102 Ų10296.9 Ų96.944%0.44348%0.483SS..Hα-helixtrans-65.6-47.5173.7-81.9-172.8169.4-165.60111.2R359 A360 I361 A365 R366 V367 S396R359-K363 VanDerWaalsContact O-CB 3.28Å; R359-K363 WeakPolarHBondContact O-CB 3.14Å; R359-K363 VanDerWaalsContact O-CG 3.26Å; R359-K363 WeakPolarHBondContact O-CG 3.19Å; R359-K363 PolarHBondContact O-N 3.16Å; A360-K363 PolarHBondContact O-N 2.98Å; I361-K363 VanDerWaalsContact C-N 3.33Å; I361-K363 PolarHBondContact O-N 2.98Å; K363-A365 PolarHBondContact O-N 3.35Å; K363-R366 PolarHBondContact O-N 2.76Å; K363-V367 WeakPolarHBondContact O-CB 3.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.42Å; K363-V367 PolarHBondContact O-N 3.44Å; K363-S396 WeakPolarHBondContact CE-OG 3.46Å
364M41Very low47.9Very low113 Ų11393.5 Ų93.556%0.55746%0.461SS*.Hα-helixtrans-58.6-47.6-179.3-72.5-68.2-81.300112.2A360 I361 R366 V367 F368A360-M364 WeakPolarHBondContact O-CG 3.3Å; A360-M364 PolarHBondContact O-N 2.87Å; I361-M364 PolarHBondContact O-N 3.25Å; M364-R366 VanDerWaalsContact C-N 3.31Å; M364-R366 PolarHBondContact O-N 3.03Å; M364-V367 PolarHBondContact O-N 3.38Å; M364-F368 HydrophobicContact CE-CE2 4.05Å; M364-F368 HydrophobicContact CE-CZ 4.43Å; M364-F368 WeakPolarHBondContact O-CD2 3.07Å; M364-F368 PolarHBondContact O-N 3.28Å
365A41.5Very low49.2Very low71 Ų7190.9 Ų90.959%0.58745%0.454SS*.Hα-helixtrans-60.2-40.4177.100000112.6I361 K363 S369I361-A365 PolarHBondContact O-N 2.7Å; K363-A365 PolarHBondContact O-N 3.35Å; A365-S369 PolarHBondContact O-N 3.23Å
366R52.2Low50.7Low144 Ų14493.1 Ų93.154%0.54347%0.469SS..Hα-helixtrans-68.5-40.3177.4-171.3169.8-67.5170.2-1112.4G362 K363 M364 F368 S369 V370G362-R366 WeakPolarHBondContact O-CB 2.97Å; G362-R366 PolarHBondContact O-N 3.15Å; K363-R366 PolarHBondContact O-N 2.76Å; M364-R366 VanDerWaalsContact C-N 3.31Å; M364-R366 PolarHBondContact O-N 3.03Å; R366-F368 VanDerWaalsContact C-N 3.33Å; R366-F368 PolarHBondContact O-N 3.35Å; R366-S369 PolarHBondContact O-N 2.98Å; R366-V370 HydrophobicContact CG-CG2 4.32Å; R366-V370 WeakPolarHBondContact O-CB 3.43Å; R366-V370 WeakPolarHBondContact O-CG2 3.48Å; R366-V370 PolarHBondContact O-N 3.11Å
367V51.6Low52.4Low27 Ų2790.8 Ų90.816%0.16446%0.46CS..Hα-helixtrans-56.6-44.9176163.30000111.3K363 M364 V370 L371 L395K363-V367 WeakPolarHBondContact O-CB 3.42Å; K363-V367 WeakPolarHBondContact O-CG2 3.42Å; K363-V367 PolarHBondContact O-N 3.44Å; M364-V367 PolarHBondContact O-N 3.38Å; V367-V370 PolarHBondContact O-N 3.35Å; V367-L371 HydrophobicContact CG1-CD1 3.89Å; V367-L371 WeakPolarHBondContact O-CB 3.36Å; V367-L371 WeakPolarHBondContact O-CG 3.31Å; V367-L371 PolarHBondContact O-N 2.66Å; V367-L395 HydrophobicContact CB-CB 4.36Å; V367-L395 HydrophobicContact CG1-CB 4.16Å; V367-L395 HydrophobicContact CG1-CD1 3.98Å; V367-L395 HydrophobicContact CG2-CB 3.84Å
368F51.2Low54Low131 Ų13184 Ų8458%0.57543%0.431SS*.Hα-helixtrans-71.8-34.3-178.8-72.3-63.5000114.5M364 R366 L371 R372M364-F368 HydrophobicContact CE-CE2 4.05Å; M364-F368 HydrophobicContact CE-CZ 4.43Å; M364-F368 WeakPolarHBondContact O-CD2 3.07Å; M364-F368 PolarHBondContact O-N 3.28Å; R366-F368 VanDerWaalsContact C-N 3.33Å; R366-F368 PolarHBondContact O-N 3.35Å; F368-L371 HydrophobicContact CD1-CD1 4.41Å; F368-R372 PolarHBondContact O-N 2.89Å
369S57.5Low55.5Low44 Ų4484 Ų8431%0.30843%0.432SS..Hα-helixtrans-65.4-46.9171.4134.50000110.6A365 R366 L371 R372 E373A365-S369 PolarHBondContact O-N 3.23Å; R366-S369 PolarHBondContact O-N 2.98Å; S369-L371 PolarHBondContact O-N 3.49Å; S369-R372 WeakPolarHBondContact O-CB 3.31Å; S369-R372 PolarHBondContact O-N 3.17Å; S369-E373 WeakPolarHBondContact O-CB 3.36Å; S369-E373 VanDerWaalsContact O-CD 3.28Å; S369-E373 PolarHBondContact O-N 3.36Å; S369-E373 PolarHBondContact OG-OE1 3.26Å; S369-E373 PolarHBondContact OG-OE2 3.11Å
370V60.6Low57Low7 Ų782.6 Ų82.64%0.04244%0.435CS..Hα-helixtrans-61.7-42.1-179.9174.20000112.3R366 V367 R372 E373 E374 L395 L402R366-V370 HydrophobicContact CG-CG2 4.32Å; R366-V370 WeakPolarHBondContact O-CB 3.43Å; R366-V370 WeakPolarHBondContact O-CG2 3.48Å; R366-V370 PolarHBondContact O-N 3.11Å; V367-V370 PolarHBondContact O-N 3.35Å; V370-R372 PolarHBondContact O-N 3.4Å; V370-E373 PolarHBondContact O-N 3.15Å; V370-E374 HydrophobicContact CG1-CB 4.4Å; V370-E374 HydrophobicContact CG1-CG 4.33Å; V370-E374 WeakPolarHBondContact O-CB 3.27Å; V370-E374 PolarHBondContact O-N 3.09Å; V370-L395 HydrophobicContact CG1-CD2 3.89Å; V370-L402 HydrophobicContact CG1-CD1 3.41Å; V370-L402 VanDerWaalsContact CG1-CD1 3.41Å
371L59.5Low58.5Low67 Ų6780.2 Ų80.235%0.35142%0.415SS..Hα-helixtrans-60.6-28.1175.4-81169.3000113.6V367 F368 S369 V378 L395V367-L371 HydrophobicContact CG1-CD1 3.89Å; V367-L371 WeakPolarHBondContact O-CB 3.36Å; V367-L371 WeakPolarHBondContact O-CG 3.31Å; V367-L371 PolarHBondContact O-N 2.66Å; F368-L371 HydrophobicContact CD1-CD1 4.41Å; S369-L371 PolarHBondContact O-N 3.49Å; L371-V378 HydrophobicContact CD2-CG1 4.45Å; L371-V378 HydrophobicContact CD2-CG2 4.4Å; L371-L395 HydrophobicContact CD1-CD1 4.09Å; L371-L395 HydrophobicContact CD2-CD1 3.75Å; L371-L395 HydrophobicContact CD2-CD2 3.87Å; L371-L395 HydrophobicContact CD2-CG 4.49Å; L371-L395 HydrophobicContact CG-CD1 3.87Å; L371-L395 HydrophobicContact CG-CD2 4.02Å
372R61.7Low59.9Low189 Ų18977.9 Ų77.971%0.71340%0.4SS*.Hα-helixtrans-88.7-34.9179.7-173.6-174.666.2161.70.8112.7F368 S369 V370F368-R372 PolarHBondContact O-N 2.89Å; S369-R372 WeakPolarHBondContact O-CB 3.31Å; S369-R372 PolarHBondContact O-N 3.17Å; V370-R372 PolarHBondContact O-N 3.4Å
373E72.8Confident61Low100 Ų10079.3 Ų79.347%0.46742%0.415SS..Hα-helixtrans-95.9-20.9-171.9-73.2141.5-140.100113.5S369 V370S369-E373 WeakPolarHBondContact O-CB 3.36Å; S369-E373 VanDerWaalsContact O-CD 3.28Å; S369-E373 PolarHBondContact O-N 3.36Å; S369-E373 PolarHBondContact OG-OE1 3.26Å; S369-E373 PolarHBondContact OG-OE2 3.11Å; V370-E373 PolarHBondContact O-N 3.15Å
374E71.4Confident61.9Low21 Ų2178.4 Ų78.410%0.09841%0.414CS..SBendtrans-12233.1-178.3-56.6-64.8143.800112.4V370 E376 S377 V378 K399 L402V370-E374 HydrophobicContact CG1-CB 4.4Å; V370-E374 HydrophobicContact CG1-CG 4.33Å; V370-E374 WeakPolarHBondContact O-CB 3.27Å; V370-E374 PolarHBondContact O-N 3.09Å; E374-E376 PolarHBondContact O-N 3.48Å; E374-S377 WeakPolarHBondContact O-CB 3.29Å; E374-S377 PolarHBondContact O-N 3.13Å; E374-S377 PolarHBondContact OE2-OG 3.4Å; E374-V378 WeakPolarHBondContact O-CG2 3.29Å; E374-V378 PolarHBondContact O-N 3.06Å; E374-K399 HydrophobicContact CG-CB 4.17Å; E374-K399 HydrophobicContact CG-CG 4.28Å; E374-K399 WeakPolarHBondContact OE1-CD 3.47Å; E374-K399 WeakPolarHBondContact OE1-CE 3.2Å; E374-K399 WeakPolarHBondContact OE1-CG 3.4Å; E374-K399 IonicContact OE1-NZ 3.42Å; E374-K399 PolarHBondContact OE1-NZ 3.31Å; E374-K399 IonicContact OE2-NZ 2.61Å; E374-K399 PolarHBondContact OE2-NZ 2.83Å; E374-L402 HydrophobicContact CB-CD1 4.04Å
375S67.5Low62.9Low71 Ų7174.1 Ų74.150%0.49740%0.395SS..Hα-helixtrans-58.9-38.7-171.254.30000114.4V378 L379S375-V378 WeakPolarHBondContact O-CB 3.2Å; S375-V378 PolarHBondContact O-N 3.03Å; S375-L379 PolarHBondContact O-N 3.32Å
376E71.3Confident63.2Low159 Ų15974.5 Ų74.574%0.74339%0.391SS*.Hα-helixtrans-68.4-45174.7-64.4-173156.900111.8E374 V378 L379 T380E374-E376 PolarHBondContact O-N 3.48Å; E376-V378 PolarHBondContact O-N 2.88Å; E376-L379 WeakPolarHBondContact O-CB 3.26Å; E376-L379 PolarHBondContact O-N 3.43Å; E376-T380 PolarHBondContact O-N 3.06Å; E376-T380 PolarHBondContact O-OG1 2.9Å
377S71.2Confident63.6Low33 Ų3370.9 Ų70.923%0.23139%0.385CS..Hα-helixtrans-57.7-38.9174.3-47.30000111.5E374 L381 I406E374-S377 WeakPolarHBondContact O-CB 3.29Å; E374-S377 PolarHBondContact O-N 3.13Å; E374-S377 PolarHBondContact OE2-OG 3.4Å; S377-L381 WeakPolarHBondContact O-CB 3.48Å; S377-L381 PolarHBondContact O-N 3.07Å; S377-I406 WeakPolarHBondContact O-CD1 3.47Å
378V70.5Confident64Low15 Ų1571.1 Ų71.19%0.09139%0.393CS..Hα-helixtrans-63.8-44.4172.6158.10000111.9L371 E374 S375 E376 L381 K382 L390 L395 L402L371-V378 HydrophobicContact CD2-CG1 4.45Å; L371-V378 HydrophobicContact CD2-CG2 4.4Å; E374-V378 WeakPolarHBondContact O-CG2 3.29Å; E374-V378 PolarHBondContact O-N 3.06Å; S375-V378 WeakPolarHBondContact O-CB 3.2Å; S375-V378 PolarHBondContact O-N 3.03Å; E376-V378 PolarHBondContact O-N 2.88Å; V378-L381 PolarHBondContact O-N 2.84Å; V378-K382 HydrophobicContact CG1-CD 4.46Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.16Å; V378-L390 HydrophobicContact CG1-CD1 3.92Å; V378-L390 HydrophobicContact CG1-CD2 4.3Å; V378-L390 HydrophobicContact CG2-CD1 4.19Å; V378-L395 HydrophobicContact CG2-CD2 3.9Å; V378-L402 HydrophobicContact CG2-CD1 3.71Å; V378-L402 HydrophobicContact CG2-CD2 4.45Å
379L68Low64.3Low130 Ų13071.2 Ų71.268%0.68140%0.397SS*.Hα-helixtrans-64.5-45.2180-164.674.8000111.2S375 E376 K382 G383S375-L379 PolarHBondContact O-N 3.32Å; E376-L379 WeakPolarHBondContact O-CB 3.26Å; E376-L379 PolarHBondContact O-N 3.43Å; L379-K382 WeakPolarHBondContact O-CB 3.48Å; L379-K382 PolarHBondContact O-N 3.25Å; L379-G383 PolarHBondContact O-N 3.11Å
380T69.3Low64.7Low79 Ų7970.8 Ų70.849%0.48539%0.391SS..Hα-helixtrans-59.3-48.8175.4-59.30000111.5E376 K382 G383 L384E376-T380 PolarHBondContact O-N 3.06Å; E376-T380 PolarHBondContact O-OG1 2.9Å; T380-K382 VanDerWaalsContact C-N 3.26Å; T380-K382 PolarHBondContact O-N 3.47Å; T380-G383 PolarHBondContact O-N 3.33Å; T380-L384 HydrophobicContact CG2-CD1 4.34Å; T380-L384 WeakPolarHBondContact O-CG 3.13Å; T380-L384 PolarHBondContact O-N 2.69Å; T380-L384 VanDerWaalsContact O-N 3.15Å
381L68.5Low65Low3 Ų373 Ų732%0.01641%0.405CS..Hα-helixtrans-67.2-26.7-180-171.262.7000112.8S377 V378 L384 T385 L390 V394 L402 A405 I406S377-L381 WeakPolarHBondContact O-CB 3.48Å; S377-L381 PolarHBondContact O-N 3.07Å; V378-L381 PolarHBondContact O-N 2.84Å; L381-L384 PolarHBondContact O-N 2.88Å; L381-T385 PolarHBondContact O-N 2.62Å; L381-T385 PolarHBondContact O-OG1 3.34Å; L381-L390 HydrophobicContact CB-CD2 4.03Å; L381-L390 HydrophobicContact CD2-CD2 4.06Å; L381-L390 HydrophobicContact CG-CD2 4.16Å; L381-V394 HydrophobicContact CD2-CG1 3.77Å; L381-L402 HydrophobicContact CD2-CD2 4.23Å; L381-A405 HydrophobicContact CD1-CB 4.27Å; L381-A405 HydrophobicContact CD2-CB 3.67Å; L381-I406 HydrophobicContact CB-CD1 4.27Å; L381-I406 HydrophobicContact CB-CG1 4.19Å; L381-I406 HydrophobicContact CD1-CG1 4.08Å; L381-I406 HydrophobicContact CD2-CG1 4.44Å; L381-I406 HydrophobicContact CG-CG1 4.47Å
382K68.7Low65.1Low87 Ų8776.1 Ų76.138%0.37843%0.433SS..Hα-helixtrans-70.8-33.8169.5-78.2-176.1157.7-142.20113.5V378 L379 T380 L384 T385 G388 L390V378-K382 HydrophobicContact CG1-CD 4.46Å; V378-K382 WeakPolarHBondContact O-CG 3.47Å; V378-K382 PolarHBondContact O-N 3.16Å; L379-K382 WeakPolarHBondContact O-CB 3.48Å; L379-K382 PolarHBondContact O-N 3.25Å; T380-K382 VanDerWaalsContact C-N 3.26Å; T380-K382 PolarHBondContact O-N 3.47Å; K382-L384 PolarHBondContact O-N 3.25Å; K382-T385 PolarHBondContact O-N 2.68Å; K382-T385 PolarHBondContact O-OG1 3.01Å; K382-G388 VanDerWaalsContact CD-O 3.26Å; K382-G388 WeakPolarHBondContact CD-O 3.43Å; K382-G388 WeakPolarHBondContact CE-O 3.39Å; K382-G388 VanDerWaalsContact CG-O 3.29Å; K382-G388 WeakPolarHBondContact CG-O 3.46Å; K382-G388 PolarHBondContact NZ-O 2.97Å; K382-L390 HydrophobicContact CG-CD2 3.84Å; K382-L390 HydrophobicContact CG-CG 3.94Å
383G65.1Low65.3Low72 Ų7269 Ų6974%0.74242%0.419SS*.Hα-helixtrans-67.5-23.1171.800000112.9L379 T380L379-G383 PolarHBondContact O-N 3.11Å; T380-G383 PolarHBondContact O-N 3.33Å
384L59.9Low65.2Low83 Ų8365.1 Ų65.144%0.43540%0.402SS..THydrogen-bonded Turntrans-94.11.7176.3-62.2171.9000113.8T380 L381 K382T380-L384 HydrophobicContact CG2-CD1 4.34Å; T380-L384 WeakPolarHBondContact O-CG 3.13Å; T380-L384 PolarHBondContact O-N 2.69Å; T380-L384 VanDerWaalsContact O-N 3.15Å; L381-L384 PolarHBondContact O-N 2.88Å; K382-L384 PolarHBondContact O-N 3.25Å
385T60.2Low65Low23 Ų2365.5 Ų65.514%0.14140%0.404CS..SBendtrans-111.2132.3173.452.60000112L381 K382 T387 G388 M389 P391L381-T385 PolarHBondContact O-N 2.62Å; L381-T385 PolarHBondContact O-OG1 3.34Å; K382-T385 PolarHBondContact O-N 2.68Å; K382-T385 PolarHBondContact O-OG1 3.01Å; T385-T387 PolarHBondContact O-N 2.8Å; T385-G388 PolarHBondContact O-N 3.29Å; T385-M389 VanDerWaalsContact CB-O 3.29Å; T385-M389 WeakPolarHBondContact CB-O 3.42Å; T385-M389 PolarHBondContact OG1-O 2.67Å; T385-P391 HydrophobicContact CG2-CG 3.78Å
386P47.6Very low65Low80 Ų8063 Ų6352%0.51939%0.387SS..THydrogen-bonded Turntrans-54.8-26.6-175.5-29.234.9000115.6N428P386-N428 WeakPolarHBondContact CB-OD1 3.36Å; P386-N428 VanDerWaalsContact CG-ND2 3.31Å; P386-N428 WeakPolarHBondContact CG-ND2 3.41Å; P386-N428 VanDerWaalsContact CG-OD1 3.27Å; P386-N428 WeakPolarHBondContact CG-OD1 3.49Å
387T61.1Low64.9Low68 Ų6857 Ų5742%0.41737%0.367SS..THydrogen-bonded Turntrans-95.3-3.8-178.254.70000114.3Y159 T385 M389Y159-T387 WeakPolarHBondContact OH-CG2 3.31Å; T385-T387 PolarHBondContact O-N 2.8Å; T387-M389 PolarHBondContact O-N 3.41Å; T387-M389 VanDerWaalsContact O-N 3.11Å; T387-M389 WeakPolarHBondContact OG1-CB 3.37Å; T387-M389 PolarHBondContact OG1-N 3.08Å
388G60.5Low65.1Low31 Ų3156 Ų5632%0.3236%0.362SS..SBendtrans62.811.3-167.300000114.2K382 T385K382-G388 VanDerWaalsContact CD-O 3.26Å; K382-G388 WeakPolarHBondContact CD-O 3.43Å; K382-G388 WeakPolarHBondContact CE-O 3.39Å; K382-G388 VanDerWaalsContact CG-O 3.29Å; K382-G388 WeakPolarHBondContact CG-O 3.46Å; K382-G388 PolarHBondContact NZ-O 2.97Å; T385-G388 PolarHBondContact O-N 3.29Å
389M57.6Low65.3Low133 Ų13359.8 Ų59.866%0.65538%0.377SS*.SBendtrans-107.3141.9177.2-55.9-170.774.200110.2T385 T387T385-M389 VanDerWaalsContact CB-O 3.29Å; T385-M389 WeakPolarHBondContact CB-O 3.42Å; T385-M389 PolarHBondContact OG1-O 2.67Å; T387-M389 PolarHBondContact O-N 3.41Å; T387-M389 VanDerWaalsContact O-N 3.11Å; T387-M389 WeakPolarHBondContact OG1-CB 3.37Å; T387-M389 PolarHBondContact OG1-N 3.08Å
390L66.3Low65.5Low35 Ų3560.9 Ų60.918%0.18338%0.379CS..PPolyproline II helixtrans-70.1144.2-179.4-64.9163.4000110.7V378 L381 K382 L395V378-L390 HydrophobicContact CG1-CD1 3.92Å; V378-L390 HydrophobicContact CG1-CD2 4.3Å; V378-L390 HydrophobicContact CG2-CD1 4.19Å; L381-L390 HydrophobicContact CB-CD2 4.03Å; L381-L390 HydrophobicContact CD2-CD2 4.06Å; L381-L390 HydrophobicContact CG-CD2 4.16Å; K382-L390 HydrophobicContact CG-CD2 3.84Å; K382-L390 HydrophobicContact CG-CG 3.94Å; L390-L395 HydrophobicContact CD1-CD1 3.66Å; L390-L395 HydrophobicContact CD1-CD2 3.76Å; L390-L395 HydrophobicContact CD1-CG 3.71Å
391P65.6Low65.7Low54 Ų5459.6 Ų59.635%0.35137%0.371SS..PPolyproline II helixtrans-61.2141.2179-17.730000111.4T385 G393 V394T385-P391 HydrophobicContact CG2-CG 3.78Å; P391-G393 PolarHBondContact O-N 2.78Å; P391-V394 HydrophobicContact CB-CG2 3.76Å; P391-V394 HydrophobicContact CG-CG2 4.09Å; P391-V394 WeakPolarHBondContact O-CB 3.37Å; P391-V394 WeakPolarHBondContact O-CG2 3.41Å; P391-V394 PolarHBondContact O-N 3.18Å; P391-V394 VanDerWaalsContact O-N 3.11Å
392S62.3Low65.8Low133 Ų13359.5 Ų59.593%0.9337%0.37SS*.THydrogen-bonded Turntrans-57.5127.5-171.5-170.10000111.7
393G65.1Low65.9Low40 Ų4059.1 Ų59.141%0.41237%0.37SS..THydrogen-bonded Turntrans87.3-12.8179.900000116.3P391 L395 S396P391-G393 PolarHBondContact O-N 2.78Å; G393-L395 PolarHBondContact O-N 3.22Å; G393-S396 WeakPolarHBondContact O-CA 3.32Å; G393-S396 WeakPolarHBondContact O-CB 3.49Å; G393-S396 PolarHBondContact O-N 3.19Å; G393-S396 PolarHBondContact O-OG 2.93Å
394V71.8Confident66.1Low18 Ų1859.1 Ų59.111%0.10936%0.359CS..G310 helixtrans-58.1-43.9-176.51690000113L381 P391 S396 T401 L402 A405L381-V394 HydrophobicContact CD2-CG1 3.77Å; P391-V394 HydrophobicContact CB-CG2 3.76Å; P391-V394 HydrophobicContact CG-CG2 4.09Å; P391-V394 WeakPolarHBondContact O-CB 3.37Å; P391-V394 WeakPolarHBondContact O-CG2 3.41Å; P391-V394 PolarHBondContact O-N 3.18Å; P391-V394 VanDerWaalsContact O-N 3.11Å; V394-S396 PolarHBondContact O-N 3.05Å; V394-T401 PolarHBondContact O-OG1 2.8Å; V394-L402 HydrophobicContact CG1-CB 4.45Å; V394-L402 HydrophobicContact CG1-CG 4Å; V394-A405 HydrophobicContact CG1-CB 3.9Å; V394-A405 HydrophobicContact CG2-CB 4.03Å
395L67.7Low66.4Low28 Ų2856.3 Ų56.315%0.14735%0.347CS..G310 helixtrans-63.2-22.1174.6-67.7173.4000113.6V367 V370 L371 V378 L390 G393 L402V367-L395 HydrophobicContact CB-CB 4.36Å; V367-L395 HydrophobicContact CG1-CB 4.16Å; V367-L395 HydrophobicContact CG1-CD1 3.98Å; V367-L395 HydrophobicContact CG2-CB 3.84Å; V370-L395 HydrophobicContact CG1-CD2 3.89Å; L371-L395 HydrophobicContact CD1-CD1 4.09Å; L371-L395 HydrophobicContact CD2-CD1 3.75Å; L371-L395 HydrophobicContact CD2-CD2 3.87Å; L371-L395 HydrophobicContact CD2-CG 4.49Å; L371-L395 HydrophobicContact CG-CD1 3.87Å; L371-L395 HydrophobicContact CG-CD2 4.02Å; V378-L395 HydrophobicContact CG2-CD2 3.9Å; L390-L395 HydrophobicContact CD1-CD1 3.66Å; L390-L395 HydrophobicContact CD1-CD2 3.76Å; L390-L395 HydrophobicContact CD1-CG 3.71Å; G393-L395 PolarHBondContact O-N 3.22Å; L395-L402 HydrophobicContact CD2-CD1 3.95Å
396S67.1Low66.5Low19 Ų1956.4 Ų56.413%0.13335%0.347CS..G310 helixtrans-83.5-13.6-168.480.40000114.6K363 G393 V394K363-S396 WeakPolarHBondContact CE-OG 3.46Å; G393-S396 WeakPolarHBondContact O-CA 3.32Å; G393-S396 WeakPolarHBondContact O-CB 3.49Å; G393-S396 PolarHBondContact O-N 3.19Å; G393-S396 PolarHBondContact O-OG 2.93Å; V394-S396 PolarHBondContact O-N 3.05Å
397G68.9Low67Low32 Ų3259.1 Ų59.133%0.3335%0.351SS..G310 helixtrans-101.32.7176.900000115.2T401G397-T401 WeakPolarHBondContact CA-OG1 3.15Å; G397-T401 PolarHBondContact N-OG1 3.44Å
398G74.8Confident66.6Low12 Ų1258.6 Ų58.612%0.12436%0.359CS..  trans89.2-177.9177.800000114.8Q400 T401 L402G398-Q400 PolarHBondContact O-N 3.1Å; G398-T401 PolarHBondContact N-OG1 3.35Å; G398-T401 PolarHBondContact O-N 2.93Å; G398-T401 PolarHBondContact O-OG1 2.96Å; G398-L402 PolarHBondContact O-N 3.45Å; G398-L402 VanDerWaalsContact O-N 3.11Å
399K75.8Confident66Low95 Ų9561.2 Ų61.241%0.41336%0.361SS..Hα-helixtrans-44.5-38.6173.5179.4-179.8-166.275.10112.5E374 L402 Q403E374-K399 HydrophobicContact CG-CB 4.17Å; E374-K399 HydrophobicContact CG-CG 4.28Å; E374-K399 WeakPolarHBondContact OE1-CD 3.47Å; E374-K399 WeakPolarHBondContact OE1-CE 3.2Å; E374-K399 WeakPolarHBondContact OE1-CG 3.4Å; E374-K399 IonicContact OE1-NZ 3.42Å; E374-K399 PolarHBondContact OE1-NZ 3.31Å; E374-K399 IonicContact OE2-NZ 2.61Å; E374-K399 PolarHBondContact OE2-NZ 2.83Å; K399-L402 PolarHBondContact O-N 2.89Å; K399-Q403 HydrophobicContact CG-CG 4.3Å; K399-Q403 VanDerWaalsContact O-CB 3.3Å; K399-Q403 WeakPolarHBondContact O-CB 3.45Å; K399-Q403 VanDerWaalsContact O-CG 3.32Å; K399-Q403 WeakPolarHBondContact O-CG 3.24Å; K399-Q403 PolarHBondContact O-N 3.38Å
400Q72.6Confident65.4Low154 Ų15456.4 Ų56.472%0.7234%0.341SS*.Hα-helixtrans-65.9-39.8179.4-69.3178.2-13.500113.9G398 Q403 S404G398-Q400 PolarHBondContact O-N 3.1Å; Q400-Q403 CarbonylContact O-C 3.59Å; Q400-S404 VanDerWaalsContact O-CB 3.32Å; Q400-S404 WeakPolarHBondContact O-CB 3.48Å; Q400-S404 PolarHBondContact O-N 2.83Å; Q400-S404 PolarHBondContact O-OG 3.04Å
401T71.9Confident64.7Low52 Ų5259.9 Ų59.932%0.31937%0.365SS..Hα-helixtrans-79.7-25.5175.151.20000112.7V394 G397 G398 S404 A405V394-T401 PolarHBondContact O-OG1 2.8Å; G397-T401 WeakPolarHBondContact CA-OG1 3.15Å; G397-T401 PolarHBondContact N-OG1 3.44Å; G398-T401 PolarHBondContact N-OG1 3.35Å; G398-T401 PolarHBondContact O-N 2.93Å; G398-T401 PolarHBondContact O-OG1 2.96Å; T401-S404 PolarHBondContact O-N 2.8Å; T401-A405 WeakPolarHBondContact O-CB 3.45Å; T401-A405 PolarHBondContact O-N 2.98Å
402L71.6Confident64Low0 Ų065.4 Ų65.40%039%0.386CS..Hα-helixtrans-66.2-47.4169.3-132.7158.4000110.3V370 E374 V378 L381 V394 L395 G398 K399 S404 A405 I406V370-L402 HydrophobicContact CG1-CD1 3.41Å; V370-L402 VanDerWaalsContact CG1-CD1 3.41Å; E374-L402 HydrophobicContact CB-CD1 4.04Å; V378-L402 HydrophobicContact CG2-CD1 3.71Å; V378-L402 HydrophobicContact CG2-CD2 4.45Å; L381-L402 HydrophobicContact CD2-CD2 4.23Å; V394-L402 HydrophobicContact CG1-CB 4.45Å; V394-L402 HydrophobicContact CG1-CG 4Å; L395-L402 HydrophobicContact CD2-CD1 3.95Å; G398-L402 PolarHBondContact O-N 3.45Å; G398-L402 VanDerWaalsContact O-N 3.11Å; K399-L402 PolarHBondContact O-N 2.89Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 3.41Å; L402-A405 PolarHBondContact O-N 3.31Å; L402-I406 HydrophobicContact CD2-CD1 3.62Å; L402-I406 WeakPolarHBondContact O-CB 3.13Å; L402-I406 WeakPolarHBondContact O-CD1 3.43Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.27Å; L402-I406 PolarHBondContact O-N 3.19Å
403Q70.7Confident64.2Low79 Ų7963.2 Ų63.237%0.36936%0.361SS..Hα-helixtrans-67.8-23.3170.5-71.8-176.2-24.700113.8K399 Q400 I406 K407K399-Q403 HydrophobicContact CG-CG 4.3Å; K399-Q403 VanDerWaalsContact O-CB 3.3Å; K399-Q403 WeakPolarHBondContact O-CB 3.45Å; K399-Q403 VanDerWaalsContact O-CG 3.32Å; K399-Q403 WeakPolarHBondContact O-CG 3.24Å; K399-Q403 PolarHBondContact O-N 3.38Å; Q400-Q403 CarbonylContact O-C 3.59Å; Q403-I406 CarbonylContact O-C 3.07Å; Q403-K407 VanDerWaalsContact O-CB 3.27Å; Q403-K407 WeakPolarHBondContact O-CB 3.49Å; Q403-K407 WeakPolarHBondContact O-CD 3.45Å; Q403-K407 WeakPolarHBondContact O-CG 3.48Å; Q403-K407 PolarHBondContact O-N 3.41Å; Q403-K407 VanDerWaalsContact O-N 3.1Å
404S69.5Low64.7Low72 Ų7269.6 Ų69.650%0.50338%0.378SS..Hα-helixtrans-82.5-30.9172.9-70.60000113Q400 T401 L402 I406 K407 G408Q400-S404 VanDerWaalsContact O-CB 3.32Å; Q400-S404 WeakPolarHBondContact O-CB 3.48Å; Q400-S404 PolarHBondContact O-N 2.83Å; Q400-S404 PolarHBondContact O-OG 3.04Å; T401-S404 PolarHBondContact O-N 2.8Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 3.41Å; S404-I406 VanDerWaalsContact C-N 3.32Å; S404-K407 PolarHBondContact O-N 3.11Å; S404-K407 VanDerWaalsContact O-N 3.16Å; S404-G408 PolarHBondContact O-N 3.23Å
405A66.2Low65.1Low24 Ų2471.1 Ų71.120%0.19839%0.385CS..Hα-helixtrans-62.4-45.3164.100000109.4L381 V394 T401 L402 K407 F409L381-A405 HydrophobicContact CD1-CB 4.27Å; L381-A405 HydrophobicContact CD2-CB 3.67Å; V394-A405 HydrophobicContact CG1-CB 3.9Å; V394-A405 HydrophobicContact CG2-CB 4.03Å; T401-A405 WeakPolarHBondContact O-CB 3.45Å; T401-A405 PolarHBondContact O-N 2.98Å; L402-A405 PolarHBondContact O-N 3.31Å; A405-K407 PolarHBondContact O-N 2.79Å; A405-F409 WeakPolarHBondContact O-CB 3.42Å; A405-F409 PolarHBondContact O-N 3.06Å
406I62Low65.9Low25 Ų2575 Ų7513%0.12841%0.41CS..Hα-helixtrans-79.930171.2-48.7159.1000111.9S377 L381 L402 Q403 S404 F409 P411S377-I406 WeakPolarHBondContact O-CD1 3.47Å; L381-I406 HydrophobicContact CB-CD1 4.27Å; L381-I406 HydrophobicContact CB-CG1 4.19Å; L381-I406 HydrophobicContact CD1-CG1 4.08Å; L381-I406 HydrophobicContact CD2-CG1 4.44Å; L381-I406 HydrophobicContact CG-CG1 4.47Å; L402-I406 HydrophobicContact CD2-CD1 3.62Å; L402-I406 WeakPolarHBondContact O-CB 3.13Å; L402-I406 WeakPolarHBondContact O-CD1 3.43Å; L402-I406 VanDerWaalsContact O-CG1 3.24Å; L402-I406 WeakPolarHBondContact O-CG1 3.27Å; L402-I406 PolarHBondContact O-N 3.19Å; Q403-I406 CarbonylContact O-C 3.07Å; S404-I406 VanDerWaalsContact C-N 3.32Å; I406-F409 CarbonylContact C-O 3.58Å; I406-F409 WeakPolarHBondContact CA-O 3.32Å; I406-P411 HydrophobicContact CG2-CG 4.31Å; I406-P411 WeakPolarHBondContact O-CD 3.44Å
407K57.6Low66.9Low138 Ų13876.9 Ų76.960%0.642%0.423SS*.Hα-helixtrans-139.9-29.3167.8-83.3172.6-178.7-177.90113.3Q403 S404 A405 F409 S410Q403-K407 VanDerWaalsContact O-CB 3.27Å; Q403-K407 WeakPolarHBondContact O-CB 3.49Å; Q403-K407 WeakPolarHBondContact O-CD 3.45Å; Q403-K407 WeakPolarHBondContact O-CG 3.48Å; Q403-K407 PolarHBondContact O-N 3.41Å; Q403-K407 VanDerWaalsContact O-N 3.1Å; S404-K407 PolarHBondContact O-N 3.11Å; S404-K407 VanDerWaalsContact O-N 3.16Å; A405-K407 PolarHBondContact O-N 2.79Å; K407-F409 PolarHBondContact N-O 3.32Å; K407-S410 PolarHBondContact O-N 3.19Å; K407-S410 VanDerWaalsContact O-N 3.13Å
408G52.9Low67.9Low57 Ų5776.9 Ų76.959%0.58841%0.414SS*.Hα-helixtrans-61.2-50.7155.600000109.3S404 S410S404-G408 PolarHBondContact O-N 3.23Å; G408-S410 PolarHBondContact O-N 3.44Å
409F48.8Very low68.7Low86 Ų8682.1 Ų82.138%0.37744%0.435SS..THydrogen-bonded Turntrans-90.171.6152.2-71-89.9000109.4A405 I406 K407 L424A405-F409 WeakPolarHBondContact O-CB 3.42Å; A405-F409 PolarHBondContact O-N 3.06Å; I406-F409 CarbonylContact C-O 3.58Å; I406-F409 WeakPolarHBondContact CA-O 3.32Å; K407-F409 PolarHBondContact N-O 3.32Å; F409-L424 HydrophobicContact CE1-CD1 4.09Å; F409-L424 HydrophobicContact CE2-CD2 4.44Å; F409-L424 HydrophobicContact CZ-CD1 4.16Å; F409-L424 HydrophobicContact CZ-CD2 3.84Å
410S44.5Very low69.4Low32 Ų3280 Ų8022%0.22443%0.427CS..  trans-57.8136.7165.4-178.50000107.5K407 G408 Q412 H413K407-S410 PolarHBondContact O-N 3.19Å; K407-S410 VanDerWaalsContact O-N 3.13Å; G408-S410 PolarHBondContact O-N 3.44Å; S410-Q412 PolarHBondContact O-N 3.32Å; S410-Q412 PolarHBondContact OG-N 3.42Å; S410-H413 WeakPolarHBondContact O-CB 3.34Å; S410-H413 PolarHBondContact O-N 2.81Å
411P51Low70.2Confident107 Ų10772.8 Ų72.870%0.69539%0.394SS*.THydrogen-bonded Turntrans-66.82.617628.8-35000112.7I406I406-P411 HydrophobicContact CG2-CG 4.31Å; I406-P411 WeakPolarHBondContact O-CD 3.44Å
412Q51.8Low71.1Confident170 Ų17072.3 Ų72.379%0.79439%0.387SS*.THydrogen-bonded Turntrans-116.1-9.3171.8-62.5170.6-1500112.7S410 K414S410-Q412 PolarHBondContact O-N 3.32Å; S410-Q412 PolarHBondContact OG-N 3.42Å; Q412-K414 PolarHBondContact O-N 3.43Å; Q412-K414 VanDerWaalsContact O-N 3.09Å
413H66.8Low71.9Confident88 Ų8874.3 Ų74.341%0.40741%0.407SS..  trans-77.993.6172.7-175.470.3000108.1S410 E420S410-H413 WeakPolarHBondContact O-CB 3.34Å; S410-H413 PolarHBondContact O-N 2.81Å; H413-E420 IonicContact CD2-OE1 2.62Å; H413-E420 IonicContact CE1-OE1 3.44Å; H413-E420 IonicContact NE2-OE1 3.81Å; H413-E420 PolarHBondContact NE2-OE1 3.32Å
414K73.7Confident72.8Confident173 Ų17374.1 Ų74.175%0.75241%0.409SS*.  trans-72135.5168.5-60.8-175.4177.5-1710107.8Q412 T416Q412-K414 PolarHBondContact O-N 3.43Å; Q412-K414 VanDerWaalsContact O-N 3.09Å; K414-T416 WeakPolarHBondContact O-CG2 3.02Å; K414-T416 PolarHBondContact O-N 3.45Å
415I81.3Confident73.9Confident50 Ų5071 Ų7126%0.25639%0.386SS..  trans-55131.4166.4-71162.6000108V314 E420 A421 L424V314-I415 HydrophobicContact CB-CD1 3.75Å; V314-I415 HydrophobicContact CG1-CD1 4.07Å; V314-I415 HydrophobicContact CG2-CD1 3.91Å; I415-E420 HydrophobicContact CG1-CG 4.46Å; I415-E420 HydrophobicContact CG2-CB 4.22Å; I415-E420 HydrophobicContact CG2-CG 4.12Å; I415-A421 HydrophobicContact CG2-CB 3.98Å; I415-L424 HydrophobicContact CD1-CD1 3.78Å; I415-L424 HydrophobicContact CG1-CD1 4.03Å
416T85Confident75Confident111 Ų11176.7 Ų76.768%0.68140%0.402SS*.  trans-107.8-15.5-164.761.40000113.5K414 E420K414-T416 WeakPolarHBondContact O-CG2 3.02Å; K414-T416 PolarHBondContact O-N 3.45Å; T416-E420 WeakPolarHBondContact CB-OE2 3.26Å; T416-E420 PolarHBondContact N-OE2 3.37Å; T416-E420 PolarHBondContact OG1-OE2 3.33Å
417S87.6Confident76.3Confident57 Ų5781.1 Ų81.140%0.39943%0.425SS..SBendtrans-153.9158.3-17662.40000112.1E419 E420 A421S417-E419 VanDerWaalsContact C-N 3.29Å; S417-E419 PolarHBondContact O-N 3.04Å; S417-E420 PolarHBondContact O-N 2.85Å; S417-E420 WeakPolarHBondContact OG-CB 3.22Å; S417-E420 PolarHBondContact OG-N 3.36Å; S417-A421 PolarHBondContact O-N 3.43Å
418F90.6Very high77.9Confident32 Ų3275.3 Ų75.314%0.1440%0.401CS..Hα-helixtrans-55.3-43.4172.4178.6-88.4000112.3A283 D285 Y315 N317 E420 A421 K422A283-F418 HydrophobicContact CB-CE2 4.4Å; A283-F418 HydrophobicContact CB-CZ 4.12Å; A283-F418 WeakPolarHBondContact O-CZ 3.49Å; D285-F418 HydrophobicContact CB-CB 4.26Å; D285-F418 HydrophobicContact CB-CD1 4.18Å; D285-F418 HydrophobicContact CB-CD2 3.72Å; D285-F418 HydrophobicContact CB-CE2 4.1Å; D285-F418 HydrophobicContact CB-CG 3.78Å; D285-F418 VanDerWaalsContact N-CE2 3.33Å; Y315-F418 AromaticContact CD1-CD2 3.74Å; Y315-F418 HydrophobicContact CD1-CD2 3.74Å; Y315-F418 AromaticContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CE2 3.54Å; Y315-F418 HydrophobicContact CD1-CG 4.41Å; Y315-F418 HydrophobicContact CD1-CZ 4.05Å; Y315-F418 HydrophobicContact CE1-CE2 4.15Å; Y315-F418 HydrophobicContact CE1-CZ 4.21Å; N317-F418 HydrophobicContact CB-CD2 3.88Å; N317-F418 HydrophobicContact CB-CE2 3.84Å; F418-E420 VanDerWaalsContact C-N 3.34Å; F418-E420 PolarHBondContact O-N 2.97Å; F418-A421 WeakPolarHBondContact O-CB 3.45Å; F418-A421 PolarHBondContact O-N 3.42Å; F418-K422 HydrophobicContact CE1-CD 4.23Å; F418-K422 PolarHBondContact O-N 3.23Å
419E90.7Very high79.8Confident123 Ų12373.3 Ų73.358%0.57538%0.376SS*.Hα-helixtrans-68.5-33.1-177.8-167.354.4-140.700112.3S417 G423S417-E419 VanDerWaalsContact C-N 3.29Å; S417-E419 PolarHBondContact O-N 3.04Å; E419-G423 PolarHBondContact O-N 2.92Å
420E89.9Confident81.9Confident50 Ų5074.2 Ų74.223%0.23438%0.377CS..Hα-helixtrans-65.2-42.2171.1179.8175.2-16000111.7H413 I415 T416 S417 F418 L424H413-E420 IonicContact CD2-OE1 2.62Å; H413-E420 IonicContact CE1-OE1 3.44Å; H413-E420 IonicContact NE2-OE1 3.81Å; H413-E420 PolarHBondContact NE2-OE1 3.32Å; I415-E420 HydrophobicContact CG1-CG 4.46Å; I415-E420 HydrophobicContact CG2-CB 4.22Å; I415-E420 HydrophobicContact CG2-CG 4.12Å; T416-E420 WeakPolarHBondContact CB-OE2 3.26Å; T416-E420 PolarHBondContact N-OE2 3.37Å; T416-E420 PolarHBondContact OG1-OE2 3.33Å; S417-E420 PolarHBondContact O-N 2.85Å; S417-E420 WeakPolarHBondContact OG-CB 3.22Å; S417-E420 PolarHBondContact OG-N 3.36Å; F418-E420 VanDerWaalsContact C-N 3.34Å; F418-E420 PolarHBondContact O-N 2.97Å; E420-L424 HydrophobicContact CG-CD1 4.46Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.03Å; E420-L424 VanDerWaalsContact O-N 3.16Å
421A90.3Very high84.2Confident3 Ų374.5 Ų74.53%0.02538%0.375CS..Hα-helixtrans-62.5-47.817500000111.7V314 Y315 I415 S417 F418 G423 L424 D425V314-A421 HydrophobicContact CG2-CB 4.45Å; Y315-A421 HydrophobicContact CD1-CB 3.66Å; Y315-A421 HydrophobicContact CD2-CB 3.71Å; Y315-A421 HydrophobicContact CE1-CB 4.1Å; Y315-A421 HydrophobicContact CE2-CB 4.14Å; Y315-A421 HydrophobicContact CG-CB 3.5Å; I415-A421 HydrophobicContact CG2-CB 3.98Å; S417-A421 PolarHBondContact O-N 3.43Å; F418-A421 WeakPolarHBondContact O-CB 3.45Å; F418-A421 PolarHBondContact O-N 3.42Å; A421-G423 PolarHBondContact O-N 2.91Å; A421-L424 PolarHBondContact O-N 2.71Å; A421-D425 WeakPolarHBondContact O-CB 3.28Å; A421-D425 PolarHBondContact O-N 3.03Å
422K90.5Very high86.1Confident42 Ų4269.8 Ų69.818%0.18334%0.344CS..Hα-helixtrans-58.9-47.2176.7-168.5177-177.1177.80111.6E282 Y315 F418 L424 D425 R426E282-K422 IonicContact OE1-NZ 3.53Å; Y315-K422 HydrophobicContact CE1-CB 3.87Å; Y315-K422 HydrophobicContact CE1-CG 4.48Å; F418-K422 HydrophobicContact CE1-CD 4.23Å; F418-K422 PolarHBondContact O-N 3.23Å; K422-L424 VanDerWaalsContact C-N 3.28Å; K422-L424 PolarHBondContact O-N 3.37Å; K422-D425 PolarHBondContact O-N 3.43Å; K422-R426 WeakPolarHBondContact O-CB 3.25Å; K422-R426 PolarHBondContact O-N 3.06Å
423G89.5Confident87.9Confident41 Ų4167.1 Ų67.142%0.42334%0.342SS..Hα-helixtrans-60.6-32.7178.900000114.2E419 A421E419-G423 PolarHBondContact O-N 2.92Å; A421-G423 PolarHBondContact O-N 2.91Å
424L88.9Confident88.5Confident76 Ų7666.2 Ų66.240%0.39834%0.335SS..Hα-helixtrans-77.3-38.2174.1-69.3174.2000112.7F409 I415 E420 A421 K422F409-L424 HydrophobicContact CE1-CD1 4.09Å; F409-L424 HydrophobicContact CE2-CD2 4.44Å; F409-L424 HydrophobicContact CZ-CD1 4.16Å; F409-L424 HydrophobicContact CZ-CD2 3.84Å; I415-L424 HydrophobicContact CD1-CD1 3.78Å; I415-L424 HydrophobicContact CG1-CD1 4.03Å; E420-L424 HydrophobicContact CG-CD1 4.46Å; E420-L424 VanDerWaalsContact O-CG 3.31Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.03Å; E420-L424 VanDerWaalsContact O-N 3.16Å; A421-L424 PolarHBondContact O-N 2.71Å; K422-L424 VanDerWaalsContact C-N 3.28Å; K422-L424 PolarHBondContact O-N 3.37Å
425D91.6Very high88.4Confident6 Ų666.3 Ų66.33%0.03233%0.33CS..Hα-helixtrans-82.8-19.2-175.2-16841.4000114.3R122 L312 Y315 A421 K422 I427 N428 E429R122-D425 IonicContact CZ-OD1 3.56Å; R122-D425 IonicContact CZ-OD2 2.69Å; R122-D425 IonicContact NH1-OD1 2.89Å; R122-D425 PolarHBondContact NH1-OD1 2.97Å; R122-D425 IonicContact NH1-OD2 2.92Å; R122-D425 PolarHBondContact NH1-OD2 3.47Å; R122-D425 IonicContact NH2-OD1 2.7Å; R122-D425 IonicContact NH2-OD2 3.95Å; L312-D425 HydrophobicContact CD1-CB 4.22Å; L312-D425 WeakPolarHBondContact CD1-OD1 3.45Å; Y315-D425 HydrophobicContact CE2-CB 4.06Å; Y315-D425 VanDerWaalsContact OH-CB 3.3Å; Y315-D425 WeakPolarHBondContact OH-CB 3.48Å; Y315-D425 PolarHBondContact OH-OD2 3.44Å; A421-D425 WeakPolarHBondContact O-CB 3.28Å; A421-D425 PolarHBondContact O-N 3.03Å; K422-D425 PolarHBondContact O-N 3.43Å; D425-I427 PolarHBondContact O-N 3.26Å; D425-N428 WeakPolarHBondContact O-CA 3.34Å; D425-N428 WeakPolarHBondContact O-CB 3.39Å; D425-N428 PolarHBondContact O-N 3.05Å; D425-N428 WeakPolarHBondContact OD1-CB 3.32Å; D425-N428 PolarHBondContact OD1-ND2 3.4Å; D425-E429 PolarHBondContact O-N 3.4Å
426R90.9Very high87.4Confident143 Ų14371.3 Ų71.354%0.5436%0.358SS..THydrogen-bonded Turntrans-52.1-18.7-178.9-171.8173.663.8170.1-1.6115.9V253 K422 E429V253-R426 HydrophobicContact CG1-CG 4.35Å; K422-R426 WeakPolarHBondContact O-CB 3.25Å; K422-R426 PolarHBondContact O-N 3.06Å; R426-E429 WeakPolarHBondContact CA-OE2 3.49Å; R426-E429 WeakPolarHBondContact CG-OE2 3.15Å
427I89.3Confident85.5Confident118 Ų11869.5 Ų69.561%0.60535%0.354SS*.THydrogen-bonded Turntrans-75.2-26.9172-165.9167.7000113.2D425 R430D425-I427 PolarHBondContact O-N 3.26Å; I427-R430 WeakPolarHBondContact O-CG 3.17Å
428N90.9Very high83Confident16 Ų1673.9 Ų73.99%0.08637%0.37CS..THydrogen-bonded Turntrans-89.3-10.7176.4-50.3-43.5000112.5R122 F160 P386 D425R122-N428 VanDerWaalsContact NH2-C 3.34Å; R122-N428 PolarHBondContact NH2-O 3.09Å; R122-N428 VanDerWaalsContact NH2-O 3.07Å; F160-N428 HydrophobicContact CE1-CB 4.01Å; F160-N428 HydrophobicContact CZ-CB 4.13Å; F160-N428 WeakPolarHBondContact CZ-O 3.3Å; P386-N428 WeakPolarHBondContact CB-OD1 3.36Å; P386-N428 VanDerWaalsContact CG-ND2 3.31Å; P386-N428 WeakPolarHBondContact CG-ND2 3.41Å; P386-N428 VanDerWaalsContact CG-OD1 3.27Å; P386-N428 WeakPolarHBondContact CG-OD1 3.49Å; D425-N428 WeakPolarHBondContact O-CA 3.34Å; D425-N428 WeakPolarHBondContact O-CB 3.39Å; D425-N428 PolarHBondContact O-N 3.05Å; D425-N428 WeakPolarHBondContact OD1-CB 3.32Å; D425-N428 PolarHBondContact OD1-ND2 3.4Å
429E91.5Very high80.5Confident15 Ų1577.4 Ų77.47%0.0740%0.396CS..SBendtrans-75.3-12168.9-64.7-178.7141.700112.3V253 R254 D425 R426V253-E429 HydrophobicContact CG1-CB 4.4Å; R254-E429 WeakPolarHBondContact CD-O 3.44Å; D425-E429 PolarHBondContact O-N 3.4Å; R426-E429 WeakPolarHBondContact CA-OE2 3.49Å; R426-E429 WeakPolarHBondContact CG-OE2 3.15Å
430R93.5Very high77.8Confident105 Ų10576.5 Ų76.540%0.39640%0.403SS..SBendtrans-75.8142178-49.4-163.573.477.70.1111.3T252 V253 R254 I427 P432T252-R430 VanDerWaalsContact O-CZ 3.29Å; T252-R430 PolarHBondContact O-NH1 3.37Å; T252-R430 PolarHBondContact O-NH2 3.42Å; V253-R430 WeakPolarHBondContact O-CG 3.44Å; V253-R430 PolarHBondContact O-NH1 2.9Å; R254-R430 CarbonylContact O-C 2.98Å; R254-R430 WeakPolarHBondContact O-CA 3.45Å; I427-R430 WeakPolarHBondContact O-CG 3.17Å; R430-P432 VanDerWaalsContact O-CD 3.3Å; R430-P432 WeakPolarHBondContact O-CD 3.41Å
431M92.3Very high75.1Confident39 Ų3979.9 Ų79.919%0.19242%0.423CS..PPolyproline II helixtrans-60.1123.9162.6-178179.366.400108.9W232 R254 C256W232-M431 HydrophobicContact CH2-CB 3.77Å; W232-M431 HydrophobicContact CH2-CG 4.35Å; W232-M431 HydrophobicContact CZ2-CB 3.99Å; W232-M431 HydrophobicContact CZ2-CG 4.14Å; W232-M431 HydrophobicContact CZ3-CB 4.18Å; R254-M431 PolarHBondContact O-N 3.4Å; C256-M431 HydrophobicContact CB-CB 4.46Å; C256-M431 HydrophobicContact CB-CE 3.69Å; C256-M431 HydrophobicContact CB-SD 4.29Å
432P92.1Very high72.4Confident7 Ų783.3 Ų83.35%0.04545%0.451CS..PPolyproline II helixtrans-63.3155.9179.4-23.934.6000112.3H155 L156 Y159 R430 R434H155-P432 PolarHBondContact CE1-O 3.2Å; H155-P432 VanDerWaalsContact CE1-O 3.27Å; H155-P432 PolarHBondContact NE2-O 3.28Å; L156-P432 HydrophobicContact CD1-CG 4.31Å; Y159-P432 HydrophobicContact CD1-CB 4.12Å; Y159-P432 HydrophobicContact CD1-CG 3.46Å; Y159-P432 VanDerWaalsContact CD1-CG 3.46Å; Y159-P432 HydrophobicContact CD2-CB 3.62Å; Y159-P432 HydrophobicContact CD2-CG 3.9Å; Y159-P432 HydrophobicContact CE1-CB 4.4Å; Y159-P432 HydrophobicContact CE1-CG 3.91Å; Y159-P432 HydrophobicContact CE2-CB 3.93Å; Y159-P432 HydrophobicContact CE2-CG 4.3Å; Y159-P432 HydrophobicContact CG-CB 3.72Å; Y159-P432 HydrophobicContact CG-CG 3.45Å; Y159-P432 VanDerWaalsContact CG-CG 3.45Å; R430-P432 VanDerWaalsContact O-CD 3.3Å; R430-P432 WeakPolarHBondContact O-CD 3.41Å; P432-R434 PolarHBondContact O-N 2.85Å
433P88.8Confident69.6Low114 Ų11487.2 Ų87.274%0.7447%0.474SS*.PPolyproline II helixtrans-59.8123.4173.1-22.433.7000111.5
434R80Confident67Low70 Ų7090.7 Ų90.726%0.26448%0.482SS..PPolyproline II helixtrans-66.9137.3173.7-68.8-173.6179.9-137-2.6109.8P221 P222 P432 D436 A437P221-R434 PolarHBondContact O-NH1 3.48Å; P221-R434 PolarHBondContact O-NH2 2.97Å; P222-R434 PolarHBondContact O-NH2 2.9Å; P432-R434 PolarHBondContact O-N 2.85Å; R434-D436 PolarHBondContact O-N 3.3Å; R434-A437 VanDerWaalsContact O-CB 3.3Å; R434-A437 WeakPolarHBondContact O-CB 3.43Å; R434-A437 PolarHBondContact O-N 3.37Å
435R70.6Confident64.4Low174 Ų17493 Ų9366%0.65750%0.495SS*.G310 helixtrans-58.4-32-176.6-70.3-178.9179.4146.8-0.3113E158 A437E158-R435 IonicContact OE1-CZ 2.7Å; E158-R435 IonicContact OE1-NH1 3.61Å; E158-R435 PolarHBondContact OE1-NH1 2.82Å; E158-R435 IonicContact OE1-NH2 3.71Å; E158-R435 PolarHBondContact OE1-NH2 2.73Å; E158-R435 VanDerWaalsContact OE1-NH2 3.07Å; E158-R435 IonicContact OE2-CZ 2.91Å; E158-R435 IonicContact OE2-NH1 3.33Å; E158-R435 PolarHBondContact OE2-NH1 2.79Å; E158-R435 IonicContact OE2-NH2 2.67Å; E158-R435 PolarHBondContact OE2-NH2 2.81Å; R435-A437 PolarHBondContact O-N 3.26Å
436D60.3Low61.9Low156 Ų15695.3 Ų95.383%0.83451%0.512SS*.G310 helixtrans-74.4-7.8179.6-44.5-55.1000113.5R434 M438R434-D436 PolarHBondContact O-N 3.3Å; D436-M438 VanDerWaalsContact C-N 3.26Å; D436-M438 PolarHBondContact O-N 3.38Å
437A46.6Very low59.4Low72 Ų7293.8 Ų93.860%0.59551%0.513SS*.G310 helixtrans-85.811.917700000113.6R434 R435 P439R434-A437 VanDerWaalsContact O-CB 3.3Å; R434-A437 WeakPolarHBondContact O-CB 3.43Å; R434-A437 PolarHBondContact O-N 3.37Å; R435-A437 PolarHBondContact O-N 3.26Å; A437-P439 VanDerWaalsContact O-CD 3.29Å; A437-P439 WeakPolarHBondContact O-CD 3.17Å
438M34.8Very low56.8Low150 Ų15093.4 Ų93.474%0.73951%0.512SS*.SBendtrans-57.4118.3162.2-79.5-67.9-65.100108.9D436 S440D436-M438 VanDerWaalsContact C-N 3.26Å; D436-M438 PolarHBondContact O-N 3.38Å; M438-S440 PolarHBondContact O-N 3.04Å
439P37.1Very low54.2Low106 Ų106100.6 Ų100.669%0.68854%0.543SS*.PPolyproline II helixtrans-61126.8175.8-20.432.7000109.1A437 D441A437-P439 VanDerWaalsContact O-CD 3.29Å; A437-P439 WeakPolarHBondContact O-CD 3.17Å; P439-D441 PolarHBondContact O-N 2.99Å
440S35.5Very low51.6Low103 Ų103103.5 Ų103.572%0.7257%0.569SS**PPolyproline II helixtrans-57.6125.7164.657.30000108.2M438 A442M438-S440 PolarHBondContact O-N 3.04Å; S440-A442 PolarHBondContact O-N 3.39Å
441D32.6Very low48.9Very low122 Ų122105.3 Ų105.365%0.65259%0.586SS**SBendtrans-71.652.8-175.1-99.7-43.7000113.6P439 L444P439-D441 PolarHBondContact O-N 2.99Å; D441-L444 WeakPolarHBondContact OD1-CD1 3.43Å
442A33Very low46.3Very low75 Ų75108.9 Ų108.962%0.6261%0.61SS**SBendtrans-95-15.4-179.400000112.9S440S440-A442 PolarHBondContact O-N 3.39Å
443N32.7Very low43.5Very low124 Ų124112.9 Ų112.966%0.66364%0.638SS**SBendtrans-1176.2-173.6-121.2-16.8000115.4S446N443-S446 PolarHBondContact O-OG 2.77Å; N443-S446 PolarHBondContact OD1-OG 3.46Å
444L34.6Very low40.9Very low113 Ų113116 Ų11659%0.59264%0.643SS**THydrogen-bonded Turntrans-89.2-10.6167.6-97.1158000113.2D441 N448D441-L444 WeakPolarHBondContact OD1-CD1 3.43Å; L444-N448 PolarHBondContact O-ND2 2.61Å; L444-N448 VanDerWaalsContact O-ND2 3.08Å
445N34.6Very low39Very low124 Ų124118.8 Ų118.866%0.66367%0.668SS**THydrogen-bonded Turntrans-97.3-9.7176.1-76.5-45.5000114.4
446S37.9Very low37Very low55 Ų55119.2 Ų119.239%0.38568%0.683SS.*THydrogen-bonded Turntrans-79.3-44.2175.746.60000111.9N443 N448 K449N443-S446 PolarHBondContact O-OG 2.77Å; N443-S446 PolarHBondContact OD1-OG 3.46Å; S446-N448 PolarHBondContact O-N 3.11Å; S446-K449 PolarHBondContact O-N 3.14Å
447I37.8Very low35.8Very low112 Ų112115 Ų11557%0.57468%0.677SS**G310 helixtrans-66.4-35-177.9-63.1173.8000112.3K449 A450I447-K449 PolarHBondContact O-N 3.03Å; I447-A450 PolarHBondContact O-N 3.13Å
448N35.5Very low35.4Very low109 Ų109117.5 Ų117.558%0.58369%0.685SS**G310 helixtrans-72.6-8178.5-75-56.6000114.4L444 S446L444-N448 PolarHBondContact O-ND2 2.61Å; L444-N448 VanDerWaalsContact O-ND2 3.08Å; S446-N448 PolarHBondContact O-N 3.11Å
449K36.2Very low35.6Very low167 Ų167117.7 Ų117.773%0.72669%0.689SS**G310 helixtrans-96.7-14.6176.7-114.3-179.6178.8179.90114.4S446 I447S446-K449 PolarHBondContact O-N 3.14Å; I447-K449 PolarHBondContact O-N 3.03Å
450A37.1Very low35.3Very low76 Ų76118 Ų11863%0.62869%0.694SS**THydrogen-bonded Turntrans-87-3.2177.700000113.7I447I447-A450 PolarHBondContact O-N 3.13Å
451L37.4Very low35.6Very low143 Ų143121.3 Ų121.375%0.74970%0.704SS**THydrogen-bonded Turntrans-107.512-178-81.7160.9000113.5
452T36.2Very low35.7Very low114 Ų114118.8 Ų118.870%0.69971%0.706SS**SBendtrans-129.618.4-176.2580000113.4
453S33.3Very low36Very low91 Ų91120.2 Ų120.264%0.63671%0.712SS**  trans-150.145.3-17165.50000115.2
454E35.7Very low36.2Very low180 Ų180121.7 Ų121.784%0.84172%0.72SS**SBendtrans-122.9105.6161.9-72.6-161.5144.900111.5
455T38.6Very low36.5Very low128 Ų128121.1 Ų121.179%0.78573%0.725SS**  trans38.293.5143.6580000119.4
456N30.2Very low36.8Very low183 Ų183119.7 Ų119.798%0.97973%0.725SS**  trans-74.9125.4135.1-88.5-16.7000107.5
457G34.1Very low37Very low68 Ų68123.8 Ų123.870%0.70174%0.742SS**  trans-147.341.7-164.200000115.9
458T38.2Very low37.3Very low124 Ų124124.9 Ų124.976%0.76175%0.748SS**  trans-153139.1168.344.30000108.3
459D38.6Very low37.6Very low154 Ų154132.5 Ų132.582%0.82478%0.78SS**  cis-143.4154.4-13.5-87.9-47.8000109.1
460S32.4Very low37.7Very low113 Ų113130.8 Ų130.879%0.7978%0.783SS**  trans-100.297.1-178.160.50000113.1
461N41.2Very low37.7Very low173 Ų173133.6 Ų133.693%0.92579%0.791SS**  trans-165.1145161.5-90-44.1000108.1
462G35.5Very low37.8Very low69 Ų69133.1 Ų133.171%0.71179%0.793SS**  cis-167.8155.3-6.400000108.6
463S37.4Very low37.9Very low104 Ų104134.2 Ų134.273%0.72780%0.799SS**  trans-81.6151.7-169.1560000115.2
464N38Very low38.1Very low156 Ų156136.9 Ų136.983%0.83481%0.809SS**  trans75.6151.4172.3-49.3-34.2000114.5
465S41.4Very low38.3Very low100 Ų100134.1 Ų134.170%0.69981%0.806SS**  cis-150.3142.31456.90000114.2
466S40Very low38.3Very low94 Ų94134.5 Ų134.566%0.65781%0.808SS**  trans23.4147.7143.462.90000123.5
467N42Very low38.9Very low141 Ų141130.8 Ų130.875%0.75480%0.795SS**  trans81.6149.8161.1-59.9-9.3000116.7
468I44.7Very low39.3Very low135 Ų135136 Ų13669%0.69280%0.803SS**  cis-168.9143.8-32-112.4160.1000105.1
469Q42.4Very low39.4Very low269 Ų269137.1 Ų137.1100%1.25781%0.807SS**  trans66.90-179.5-75.8178.4-45.700116.8

Retrieved 469 of 469 residues in 328.8 ms (Link to these results)