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Histone-lysine N-methyltransferase SUV39H1

Histone methyltransferase that specifically mediates trimethylation of 'Lys-9' of histone H3 (H3K9me3) using monomethylated H3 'Lys-9' (H3K9me1) as substrate. Also weakly methylates histone H1 (in vitro). H3 'Lys-9' trimethylation represents a specific tag for epigenetic transcriptional repression by recruiting HP1 (CBX1, CBX3 and/or CBX5) proteins to methylated histones (By similarity). Mainly functions in heterochromatin regions, thereby playing a central role in the establishment of constitutive heterochromatin at pericentric and telomere regions. H3 'Lys-9' trimethylation is also required to direct DNA methylation at pericentric repeats (By similarity). SUV39H1 is targeted to histone H3 via its interaction with RB1 and is involved in many processes, such as repression of MYOD1-stimulated differentiation, regulation of the control switch for exiting the cell cycle and entering differentiation, repression by the PML-RARA fusion protein, BMP-induced repression, repression of switch recombination to IgA and regulation of telomere length. Involved in the maintenance of H3K9me3 mark following DNA replication, when histone marks are diluted: HP1 recognizes the preexisting H3K9me3 mark and serves as a platform to recruit SUV39H1 to modify the adjacent newly incorporated histones. Component of the eNoSC (energy-dependent nucleolar silencing) complex, a complex that mediates silencing of rDNA in response to intracellular energy status and acts by recruiting histone-modifying enzymes. The eNoSC complex is able to sense the energy status of cell: upon glucose starvation, elevation of NAD(+)/NADP(+) ratio activates SIRT1, leading to histone H3 deacetylation followed by dimethylation of H3 at 'Lys-9' (H3K9me2) by SUV39H1 and the formation of silent chromatin in the rDNA locus (By similarity). Recruited by the large PER complex to the E-box elements of the circadian target genes such as PER2 itself or PER1, contributes to the conversion of local chromatin to a heterochromatin-like repressive state through H3 'Lys-9' trimethylation (By similarity). Interacts with ZNF152; this interaction initiates heterochromatin formation (By similarity).

AlphaFold DB , UniProt , Accession Q5RB81, Species PONAB (Pongo abelii, Sumatran orangutan), Gene SUV39H1, Length 412 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
1M37.5Very low45.1Very low240 Ų240138.1 Ų138.1100%1.18280%0.796SS**  090.50-72.7-154.8-76.500108.9
2A35.8Very low46.4Very low52 Ų52133.4 Ų133.443%0.4378%0.776SS.*  trans-172.726.3163.200000112.6N4A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.24Å
3E43Very low48.5Very low193 Ų193140.2 Ų140.290%0.90279%0.79SS**THydrogen-bonded Turntrans-78.4-3.2-173.1-76.8-179.3166.600114.8
4N48.9Very low50.7Low162 Ų162133.2 Ų133.287%0.86676%0.755SS**THydrogen-bonded Turntrans-130.119.5-175.2-76.6-33.3000116.3A2A2-N4 VanDerWaalsContact C-N 3.28Å; A2-N4 PolarHBondContact O-N 3.24Å
5L46.1Very low52.8Low137 Ų137128.3 Ų128.372%0.71773%0.732SS**  trans-100.492.3168.9-75169.1000110.2G7L5-G7 PolarHBondContact O-N 3.2Å; L5-G7 VanDerWaalsContact O-N 3.11Å
6K45.1Very low54.8Low219 Ų219129.6 Ų129.695%0.95272%0.722SS**THydrogen-bonded Turntrans-63107.2161.8-80.3-178.3174.61790108.2
7G49.8Very low56.5Low83 Ų83125.5 Ų125.586%0.85670%0.698SS**THydrogen-bonded Turntrans128.8-7.7160.600000118.4L5L5-G7 PolarHBondContact O-N 3.2Å; L5-G7 VanDerWaalsContact O-N 3.11Å
8C42.6Very low58Low101 Ų101123.9 Ų123.968%0.68269%0.685SS**  trans-165.9118.7170.5-160.60000111
9S48.3Very low59.6Low99 Ų99120.1 Ų120.169%0.69266%0.663SS**  trans-132.8114169.774.10000111.1
10V45.3Very low61Low141 Ų141115.8 Ų115.886%0.85564%0.637SS**  trans-116.7102.9160.6-1680000105.3
11C53.7Low62.2Low92 Ų92111.4 Ų111.462%0.62261%0.613SS**  trans-134.697.6-175.1-109.90000110.7
12C61.1Low64.6Low82 Ų82104.8 Ų104.855%0.55458%0.582SS**  trans59.5121.9169.4-152.70000116.6S14C12-S14 PolarHBondContact O-N 3.04Å; C12-S14 WeakPolarHBondContact SG-CB 3.48Å; C12-S14 PolarHBondContact SG-N 3.07Å
13K72.9Confident67.1Low221 Ų221103 Ų10396%0.96157%0.567SS**SBendtrans-66.8-11.3167.4-73.2-171.4176.2-177.60112.7
14S79.5Confident69.3Low43 Ų4395.4 Ų95.430%0.30153%0.53SS..SBendtrans-90.5128.3-177-53.10000111.1C12 Q18C12-S14 PolarHBondContact O-N 3.04Å; C12-S14 WeakPolarHBondContact SG-CB 3.48Å; C12-S14 PolarHBondContact SG-N 3.07Å; S14-Q18 VanDerWaalsContact CA-OE1 3.26Å
15S82.8Confident71.1Confident59 Ų5992.8 Ų92.841%0.41352%0.515SS..  trans-60159.6167.1650000111.6N17 Q18 L19S15-N17 PolarHBondContact O-N 3.3Å; S15-Q18 WeakPolarHBondContact O-CB 3.46Å; S15-Q18 PolarHBondContact O-N 3.08Å; S15-Q18 WeakPolarHBondContact OG-CG 3.44Å; S15-Q18 PolarHBondContact OG-N 2.83Å; S15-Q18 PolarHBondContact OG-OE1 2.82Å; S15-L19 PolarHBondContact O-N 2.96Å; S15-L19 VanDerWaalsContact O-N 3.12Å
16W84.4Confident73.2Confident150 Ų15089.1 Ų89.157%0.56850%0.504SS*.Hα-helixtrans-51.5-40.8176.7-168.2-85.2000112.9L19 Q20 A32 L33W16-L19 PolarHBondContact O-N 3.24Å; W16-Q20 WeakPolarHBondContact O-CG 3.49Å; W16-Q20 PolarHBondContact O-N 2.97Å; W16-A32 WeakPolarHBondContact CH2-O 3.43Å; W16-A32 WeakPolarHBondContact CZ2-O 3.15Å; W16-L33 HydrophobicContact CD2-CD2 3.91Å; W16-L33 HydrophobicContact CE3-CD2 4.16Å; W16-L33 HydrophobicContact CH2-CD2 4.15Å; W16-L33 HydrophobicContact CZ2-CD2 3.89Å; W16-L33 HydrophobicContact CZ3-CD2 4.27Å
17N83.3Confident75.3Confident59 Ų5985.4 Ų85.432%0.31649%0.488SS..Hα-helixtrans-65-43.5177.9-63.5-25.4000111.7S15 L19 Q20 D21 R65S15-N17 PolarHBondContact O-N 3.3Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.99Å; N17-Q20 WeakPolarHBondContact O-CB 3.34Å; N17-Q20 PolarHBondContact O-N 2.75Å; N17-Q20 VanDerWaalsContact O-N 3.17Å; N17-D21 PolarHBondContact O-N 2.87Å; N17-R65 PolarHBondContact ND2-NH1 3.39Å; N17-R65 VanDerWaalsContact ND2-NH1 3.15Å
18Q84.7Confident77.3Confident97 Ų9786.4 Ų86.445%0.45347%0.473SS..Hα-helixtrans-60.8-38.4177.1-75.6167.1-47.100111.7S14 S15 D21 L22S14-Q18 VanDerWaalsContact CA-OE1 3.26Å; S15-Q18 WeakPolarHBondContact O-CB 3.46Å; S15-Q18 PolarHBondContact O-N 3.08Å; S15-Q18 WeakPolarHBondContact OG-CG 3.44Å; S15-Q18 PolarHBondContact OG-N 2.83Å; S15-Q18 PolarHBondContact OG-OE1 2.82Å; Q18-D21 PolarHBondContact O-N 3Å; Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.13Å
19L87.5Confident79.6Confident52 Ų5284.6 Ų84.627%0.27246%0.462SS..Hα-helixtrans-68-40176-66.1176.8000112.4S15 W16 N17 D21 L22 C23 L33S15-L19 PolarHBondContact O-N 2.96Å; S15-L19 VanDerWaalsContact O-N 3.12Å; W16-L19 PolarHBondContact O-N 3.24Å; N17-L19 VanDerWaalsContact C-N 3.28Å; N17-L19 PolarHBondContact O-N 2.99Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-C23 PolarHBondContact O-N 3.19Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-C23 PolarHBondContact O-SG 2.94Å; L19-L33 HydrophobicContact CB-CD1 3.72Å; L19-L33 HydrophobicContact CB-CD2 4.03Å; L19-L33 HydrophobicContact CD1-CD2 4.33Å
20Q88.6Confident81.6Confident33 Ų3381.5 Ų81.515%0.15444%0.44CS..Hα-helixtrans-60.9-43.9173.6-75.9178.8-25.200111.3W16 N17 C23 R24 L33 I35W16-Q20 WeakPolarHBondContact O-CG 3.49Å; W16-Q20 PolarHBondContact O-N 2.97Å; N17-Q20 WeakPolarHBondContact O-CB 3.34Å; N17-Q20 PolarHBondContact O-N 2.75Å; N17-Q20 VanDerWaalsContact O-N 3.17Å; Q20-C23 WeakPolarHBondContact O-CB 3.39Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-C23 VanDerWaalsContact O-N 3.14Å; Q20-R24 WeakPolarHBondContact O-CG 3.32Å; Q20-R24 PolarHBondContact O-N 3.47Å; Q20-L33 HydrophobicContact CG-CB 3.96Å; Q20-L33 PolarHBondContact NE2-O 2.9Å; Q20-I35 HydrophobicContact CB-CD1 3.95Å; Q20-I35 HydrophobicContact CB-CG1 4.16Å; Q20-I35 HydrophobicContact CG-CD1 3.94Å; Q20-I35 HydrophobicContact CG-CG1 4.03Å
21D85.3Confident83.7Confident24 Ų2480.2 Ų80.213%0.12843%0.434CS..Hα-helixtrans-64.1-41.6179.4-67.7-22.2000112N17 Q18 L19 C23 R24 L25 Y67N17-D21 PolarHBondContact O-N 2.87Å; Q18-D21 PolarHBondContact O-N 3Å; L19-D21 VanDerWaalsContact C-N 3.33Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.38Å; D21-R24 PolarHBondContact O-N 3.07Å; D21-R24 IonicContact OD1-CZ 2.78Å; D21-R24 IonicContact OD1-NH1 3.93Å; D21-R24 PolarHBondContact OD1-NH1 3.28Å; D21-L25 WeakPolarHBondContact O-CG 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; D21-Y67 WeakPolarHBondContact CB-OH 3.33Å
22L87.2Confident85.4Confident101 Ų10179.7 Ų79.753%0.52944%0.437SS..Hα-helixtrans-58.6-41.2171.6-72.6172.6000112Q18 L19 L25 A26Q18-L22 WeakPolarHBondContact O-CG 3.49Å; Q18-L22 PolarHBondContact O-N 3.13Å; L19-L22 HydrophobicContact CD2-CD1 4.48Å; L19-L22 PolarHBondContact O-N 3.05Å; L22-L25 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.96Å
23C89Confident86.7Confident16 Ų1676.7 Ų76.711%0.10842%0.415CS..Hα-helixtrans-63.3-42.5175.5-66.60000111.9L19 Q20 D21 A26 K27 L28 I35L19-C23 PolarHBondContact O-N 3.19Å; L19-C23 VanDerWaalsContact O-N 3.12Å; L19-C23 PolarHBondContact O-SG 2.94Å; Q20-C23 WeakPolarHBondContact O-CB 3.39Å; Q20-C23 PolarHBondContact O-N 2.77Å; Q20-C23 VanDerWaalsContact O-N 3.14Å; D21-C23 VanDerWaalsContact C-N 3.3Å; D21-C23 PolarHBondContact O-N 3.38Å; C23-A26 CarbonylContact O-C 3.54Å; C23-A26 PolarHBondContact O-N 3.29Å; C23-K27 CarbonylContact O-C 3.55Å; C23-K27 WeakPolarHBondContact O-CA 3.44Å; C23-K27 PolarHBondContact O-N 3Å; C23-L28 PolarHBondContact O-N 3.39Å; C23-I35 HydrophobicContact CB-CB 4.36Å; C23-I35 HydrophobicContact CB-CG1 4.19Å; C23-I35 HydrophobicContact CB-CG2 4.17Å
24R88.7Confident87.5Confident32 Ų3268.4 Ų68.412%0.12139%0.392CS..Hα-helixtrans-63-47.4177-65.4178.8-177.2102.93.3111.7Q20 D21 A26 K27 I35 L40 D42 F43Q20-R24 WeakPolarHBondContact O-CG 3.32Å; Q20-R24 PolarHBondContact O-N 3.47Å; D21-R24 PolarHBondContact O-N 3.07Å; D21-R24 IonicContact OD1-CZ 2.78Å; D21-R24 IonicContact OD1-NH1 3.93Å; D21-R24 PolarHBondContact OD1-NH1 3.28Å; R24-A26 VanDerWaalsContact C-N 3.35Å; R24-A26 PolarHBondContact O-N 2.98Å; R24-K27 PolarHBondContact O-N 3.22Å; R24-I35 HydrophobicContact CG-CD1 4.49Å; R24-L40 WeakPolarHBondContact CB-O 3.44Å; R24-L40 WeakPolarHBondContact CG-O 3.38Å; R24-D42 WeakPolarHBondContact CD-O 3.35Å; R24-D42 PolarHBondContact NE-O 3.12Å; R24-D42 PolarHBondContact NH2-O 3.34Å; R24-F43 HydrophobicContact CB-CE1 3.86Å; R24-F43 HydrophobicContact CB-CZ 3.81Å; R24-F43 HydrophobicContact CG-CE1 4.46Å
25L86.8Confident87.9Confident107 Ų10766.4 Ų66.456%0.5638%0.378SS*.Hα-helixtrans-61.9-42178.2-70173.7000111.9D21 L22 K27 Y67D21-L25 WeakPolarHBondContact O-CG 3.5Å; D21-L25 PolarHBondContact O-N 3.17Å; L22-L25 PolarHBondContact O-N 3.46Å; L25-K27 PolarHBondContact O-N 3.47Å; L25-Y67 HydrophobicContact CD1-CE1 4.42Å
26A90.9Very high88.3Confident60 Ų6065.6 Ų65.650%0.49637%0.372SS..THydrogen-bonded Turntrans-79.1-2.5176.300000113.8L22 C23 R24 L28L22-A26 VanDerWaalsContact O-CB 3.24Å; L22-A26 WeakPolarHBondContact O-CB 3.34Å; L22-A26 PolarHBondContact O-N 2.96Å; C23-A26 CarbonylContact O-C 3.54Å; C23-A26 PolarHBondContact O-N 3.29Å; R24-A26 VanDerWaalsContact C-N 3.35Å; R24-A26 PolarHBondContact O-N 2.98Å; A26-L28 HydrophobicContact CB-CD1 3.76Å; A26-L28 HydrophobicContact CB-CG 3.77Å; A26-L28 PolarHBondContact O-N 3.14Å
27K90.1Very high88.5Confident141 Ų14167.1 Ų67.161%0.61338%0.383SS*.THydrogen-bonded Turntrans55.534.9-175.3-58.8177.4-176173.60113.4C23 R24 L25 L40C23-K27 CarbonylContact O-C 3.55Å; C23-K27 WeakPolarHBondContact O-CA 3.44Å; C23-K27 PolarHBondContact O-N 3Å; R24-K27 PolarHBondContact O-N 3.22Å; L25-K27 PolarHBondContact O-N 3.47Å; K27-L40 HydrophobicContact CB-CD2 4.05Å
28L91.1Very high88.8Confident104 Ų10475.7 Ų75.755%0.54541%0.411SS..  trans-96.8134.5-179.7-62.2176.1000111.1C23 A26 I35 L40C23-L28 PolarHBondContact O-N 3.39Å; A26-L28 HydrophobicContact CB-CD1 3.76Å; A26-L28 HydrophobicContact CB-CG 3.77Å; A26-L28 PolarHBondContact O-N 3.14Å; L28-I35 WeakPolarHBondContact O-CG2 3.22Å; L28-L40 WeakPolarHBondContact O-CD1 3.46Å
29S90.2Very high89Confident64 Ų6473.1 Ų73.145%0.44840%0.4SS..  trans-81.1127166.9-166.90000108.7I35 S36S29-I35 CarbonylContact C-O 3.58Å; S29-I35 PolarHBondContact OG-O 2.92Å; S29-I35 VanDerWaalsContact OG-O 3.08Å; S29-S36 WeakPolarHBondContact OG-CA 3.37Å
30C90.2Very high89Confident33 Ų3371.2 Ų71.222%0.22339%0.39CS..BIsolated β-bridgetrans-132.891.9175.2-174.80000109.3A32 L33 G34 I35C30-A32 PolarHBondContact O-N 2.93Å; C30-L33 HydrophobicContact CB-CB 4.17Å; C30-L33 HydrophobicContact CB-CD1 4.18Å; C30-L33 HydrophobicContact CB-CG 4.42Å; C30-L33 CarbonylContact O-C 3.38Å; C30-L33 PolarHBondContact O-N 3.48Å; C30-G34 PolarHBondContact O-N 3.01Å; C30-I35 CarbonylContact C-O 3.2Å; C30-I35 HydrophobicContact CB-CB 4.44Å; C30-I35 PolarHBondContact N-O 3.32Å; C30-I35 PolarHBondContact O-N 2.97Å
31P89.2Confident88.9Confident114 Ų11477.4 Ų77.474%0.7441%0.414SS*.G310 helixtrans-55.9-34.5179.5-27.135.5000113.3L33 G34P31-L33 PolarHBondContact O-N 3.12Å; P31-G34 PolarHBondContact O-N 3.26Å
32A89.2Confident89.1Confident81 Ų8179.6 Ų79.667%0.66943%0.425SS*.G310 helixtrans-62.7-28.4176.800000113.2W16 C30W16-A32 WeakPolarHBondContact CH2-O 3.43Å; W16-A32 WeakPolarHBondContact CZ2-O 3.15Å; C30-A32 PolarHBondContact O-N 2.93Å
33L88.3Confident89.2Confident20 Ų2078.1 Ų78.111%0.10542%0.415CS..G310 helixtrans-96.94.6174.1-66.4172.4000112.4W16 L19 Q20 C30 P31 I35W16-L33 HydrophobicContact CD2-CD2 3.91Å; W16-L33 HydrophobicContact CE3-CD2 4.16Å; W16-L33 HydrophobicContact CH2-CD2 4.15Å; W16-L33 HydrophobicContact CZ2-CD2 3.89Å; W16-L33 HydrophobicContact CZ3-CD2 4.27Å; L19-L33 HydrophobicContact CB-CD1 3.72Å; L19-L33 HydrophobicContact CB-CD2 4.03Å; L19-L33 HydrophobicContact CD1-CD2 4.33Å; Q20-L33 HydrophobicContact CG-CB 3.96Å; Q20-L33 PolarHBondContact NE2-O 2.9Å; C30-L33 HydrophobicContact CB-CB 4.17Å; C30-L33 HydrophobicContact CB-CD1 4.18Å; C30-L33 HydrophobicContact CB-CG 4.42Å; C30-L33 CarbonylContact O-C 3.38Å; C30-L33 PolarHBondContact O-N 3.48Å; P31-L33 PolarHBondContact O-N 3.12Å; L33-I35 HydrophobicContact CB-CG1 4.25Å; L33-I35 PolarHBondContact O-N 2.78Å
34G90.2Very high89.3Confident46 Ų4682.4 Ų82.447%0.47443%0.433SS..THydrogen-bonded Turntrans7015.1-17400000114.5C30 P31 N39C30-G34 PolarHBondContact O-N 3.01Å; P31-G34 PolarHBondContact O-N 3.26Å; G34-N39 PolarHBondContact O-ND2 2.77Å
35I88.6Confident89.6Confident2 Ų281.6 Ų81.61%0.0143%0.432CS..BIsolated β-bridgetrans-91.9123.2177.3-56-55.1000110Q20 C23 R24 L28 S29 C30 L33 L40Q20-I35 HydrophobicContact CB-CD1 3.95Å; Q20-I35 HydrophobicContact CB-CG1 4.16Å; Q20-I35 HydrophobicContact CG-CD1 3.94Å; Q20-I35 HydrophobicContact CG-CG1 4.03Å; C23-I35 HydrophobicContact CB-CB 4.36Å; C23-I35 HydrophobicContact CB-CG1 4.19Å; C23-I35 HydrophobicContact CB-CG2 4.17Å; R24-I35 HydrophobicContact CG-CD1 4.49Å; L28-I35 WeakPolarHBondContact O-CG2 3.22Å; S29-I35 CarbonylContact C-O 3.58Å; S29-I35 PolarHBondContact OG-O 2.92Å; S29-I35 VanDerWaalsContact OG-O 3.08Å; C30-I35 CarbonylContact C-O 3.2Å; C30-I35 HydrophobicContact CB-CB 4.44Å; C30-I35 PolarHBondContact N-O 3.32Å; C30-I35 PolarHBondContact O-N 2.97Å; L33-I35 HydrophobicContact CB-CG1 4.25Å; L33-I35 PolarHBondContact O-N 2.78Å; I35-L40 HydrophobicContact CG2-CD1 3.77Å
36S91.1Very high90Very high41 Ų4178.3 Ų78.329%0.28741%0.414SS..  trans-129167.2-179.873.30000109.9S29 R38 N39 L40S29-S36 WeakPolarHBondContact OG-CA 3.37Å; S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 2.9Å; S36-N39 PolarHBondContact N-OD1 3.5Å; S36-N39 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-OD1 2.98Å; S36-N39 PolarHBondContact OG-OD1 3.15Å; S36-N39 VanDerWaalsContact OG-OD1 3.07Å; S36-L40 WeakPolarHBondContact O-CB 3.24Å; S36-L40 PolarHBondContact O-N 2.77Å
37K88.7Confident90.3Very high182 Ų18276 Ų7679%0.79139%0.392SS*.THydrogen-bonded Turntrans-56.3-22.6171.1-66.3-174.8178.1-178.50113.6
38R88.7Confident90.7Very high240 Ų24069.3 Ų69.391%0.90636%0.363SS*.THydrogen-bonded Turntrans-79.2-29.2-177.7-64.3-177.4179.8175.60.6113.9S36S36-R38 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact OG-N 2.9Å
39N89.3Confident90.9Very high42 Ų4265 Ų6523%0.22534%0.342CS..THydrogen-bonded Turntrans-120.512.9-177.266.4-7.4000112.5G34 S36 Y41 D42G34-N39 PolarHBondContact O-ND2 2.77Å; S36-N39 PolarHBondContact N-OD1 3.5Å; S36-N39 PolarHBondContact O-N 2.86Å; S36-N39 PolarHBondContact O-OD1 2.98Å; S36-N39 PolarHBondContact OG-OD1 3.15Å; S36-N39 VanDerWaalsContact OG-OD1 3.07Å; N39-Y41 PolarHBondContact O-N 3.05Å; N39-Y41 VanDerWaalsContact O-N 3.13Å; N39-D42 WeakPolarHBondContact CA-OD2 3.44Å; N39-D42 HydrophobicContact CB-CB 4.18Å; N39-D42 WeakPolarHBondContact CB-OD2 3.42Å; N39-D42 WeakPolarHBondContact O-CB 3.47Å; N39-D42 PolarHBondContact O-N 3.33Å
40L87.3Confident91.3Very high13 Ų1363.6 Ų63.67%0.06833%0.329CS..THydrogen-bonded Turntrans-58.3-27.6-179.2-167.465.9000112.8R24 K27 L28 I35 S36R24-L40 WeakPolarHBondContact CB-O 3.44Å; R24-L40 WeakPolarHBondContact CG-O 3.38Å; K27-L40 HydrophobicContact CB-CD2 4.05Å; L28-L40 WeakPolarHBondContact O-CD1 3.46Å; I35-L40 HydrophobicContact CG2-CD1 3.77Å; S36-L40 WeakPolarHBondContact O-CB 3.24Å; S36-L40 PolarHBondContact O-N 2.77Å
41Y86Confident91.7Very high163 Ų16362.4 Ų62.464%0.63932%0.32SS*.THydrogen-bonded Turntrans-1066.3179.3-54.4-72.9000113.1N39 F43N39-Y41 PolarHBondContact O-N 3.05Å; N39-Y41 VanDerWaalsContact O-N 3.13Å; Y41-F43 WeakPolarHBondContact O-CD2 3.47Å; Y41-F43 PolarHBondContact O-N 3.17Å
42D89.3Confident92Very high70 Ų7059.2 Ų59.237%0.37429%0.294SS..  trans-85.5110.1175.4-72.7-28.8000108.9R24 N39 K81R24-D42 WeakPolarHBondContact CD-O 3.35Å; R24-D42 PolarHBondContact NE-O 3.12Å; R24-D42 PolarHBondContact NH2-O 3.34Å; N39-D42 WeakPolarHBondContact CA-OD2 3.44Å; N39-D42 HydrophobicContact CB-CB 4.18Å; N39-D42 WeakPolarHBondContact CB-OD2 3.42Å; N39-D42 WeakPolarHBondContact O-CB 3.47Å; N39-D42 PolarHBondContact O-N 3.33Å; D42-K81 IonicContact OD1-NZ 3.24Å; D42-K81 PolarHBondContact OD1-NZ 3.27Å; D42-K81 IonicContact OD2-NZ 3.96Å
43F89.7Confident92.4Very high70 Ų7058.2 Ų58.231%0.30728%0.275SS..  trans-107.1151.7174.2-64.9-93.1000111R24 Y41 W64 Y67R24-F43 HydrophobicContact CB-CE1 3.86Å; R24-F43 HydrophobicContact CB-CZ 3.81Å; R24-F43 HydrophobicContact CG-CE1 4.46Å; Y41-F43 WeakPolarHBondContact O-CD2 3.47Å; Y41-F43 PolarHBondContact O-N 3.17Å; F43-W64 HydrophobicContact CB-CD2 4.42Å; F43-W64 HydrophobicContact CB-CE3 3.58Å; F43-W64 HydrophobicContact CB-CH2 4.47Å; F43-W64 HydrophobicContact CB-CZ3 3.61Å; F43-Y67 HydrophobicContact CD1-CE2 4.33Å
44E91.6Very high92.7Very high105 Ų10561.2 Ų61.249%0.49129%0.29SS..  trans-86.3126.2-178.7-165-177160.200111.2R65E44-R65 HydrophobicContact CB-CB 4.07Å; E44-R65 HydrophobicContact CG-CB 4.4Å; E44-R65 WeakPolarHBondContact O-CB 3.47Å; E44-R65 PolarHBondContact O-N 3.47Å; E44-R65 VanDerWaalsContact OE1-CD 3.29Å; E44-R65 WeakPolarHBondContact OE1-CD 3.34Å; E44-R65 IonicContact OE1-CZ 3.06Å; E44-R65 IonicContact OE1-NE 3.67Å; E44-R65 PolarHBondContact OE1-NE 3.03Å; E44-R65 WeakPolarHBondContact OE2-CD 3.35Å; E44-R65 IonicContact OE2-NE 2.81Å; E44-R65 IonicContact OE2-NH1 3.39Å
45V95.1Very high92.8Very high16 Ų1669.3 Ų69.310%0.09731%0.306CS..EExtended strand (participates in β ladder)trans-76122.7172.9176.60000109.5L48 V62 W64 L80 C82 I85V45-L48 HydrophobicContact CG1-CD2 3.98Å; V45-V62 HydrophobicContact CB-CG1 4.21Å; V45-V62 HydrophobicContact CG1-CG1 3.93Å; V45-V62 HydrophobicContact CG2-CG1 3.71Å; V45-W64 HydrophobicContact CG2-CZ3 4.16Å; V45-L80 HydrophobicContact CG2-CD2 4.19Å; V45-C82 HydrophobicContact CB-CB 4.49Å; V45-I85 HydrophobicContact CB-CD1 4.06Å; V45-I85 HydrophobicContact CG1-CD1 3.89Å; V45-I85 HydrophobicContact CG1-CG2 4.27Å; V45-I85 WeakPolarHBondContact O-CD1 3.19Å
46E95.3Very high92.9Very high38 Ų3876.3 Ų76.318%0.17834%0.339CS..EExtended strand (participates in β ladder)trans-79.8-48.1174.2-162171.1173.900111.2K63 R65 R126E46-K63 WeakPolarHBondContact CA-O 3.24Å; E46-K63 HydrophobicContact CB-CB 4.42Å; E46-K63 HydrophobicContact CB-CG 3.97Å; E46-K63 VanDerWaalsContact CB-O 3.23Å; E46-K63 WeakPolarHBondContact CB-O 3.26Å; E46-K63 PolarHBondContact N-O 2.96Å; E46-K63 IonicContact OE2-NZ 2.77Å; E46-K63 PolarHBondContact OE2-NZ 2.85Å; E46-R65 HydrophobicContact CB-CB 4.09Å; E46-R65 WeakPolarHBondContact OE2-CA 3.49Å; E46-R126 VanDerWaalsContact CD-NH1 3.32Å; E46-R126 IonicContact OE1-CZ 3.99Å; E46-R126 IonicContact OE1-NH1 3.61Å; E46-R126 PolarHBondContact OE1-NH1 2.97Å; E46-R126 IonicContact OE1-NH2 3.9Å; E46-R126 PolarHBondContact OE1-NH2 3.17Å
47Y96.9Very high93.1Very high10 Ų1077.6 Ų77.64%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-165.6170.6169.252.3-94.6000110.5C49 K63 V119 A122 K123Y47-C49 VanDerWaalsContact CE2-SG 3.52Å; Y47-K63 HydrophobicContact CD1-CB 4.31Å; Y47-K63 HydrophobicContact CD1-CG 4.26Å; Y47-K63 HydrophobicContact CD2-CB 3.82Å; Y47-K63 HydrophobicContact CD2-CG 4.47Å; Y47-K63 HydrophobicContact CE1-CB 4.12Å; Y47-K63 HydrophobicContact CE1-CG 3.73Å; Y47-K63 HydrophobicContact CE2-CB 3.59Å; Y47-K63 HydrophobicContact CE2-CG 3.96Å; Y47-K63 HydrophobicContact CG-CB 4.16Å; Y47-K63 PolarHBondContact O-N 3.43Å; Y47-V119 HydrophobicContact CE2-CG1 4.06Å; Y47-A122 HydrophobicContact CD1-CB 4.45Å; Y47-A122 HydrophobicContact CD2-CB 4.01Å; Y47-A122 HydrophobicContact CG-CB 3.77Å; Y47-K123 HydrophobicContact CE1-CG 4.21Å; Y47-K123 WeakPolarHBondContact OH-CE 3.22Å
48L97.8Very high93.5Very high2 Ų271.3 Ų71.31%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-99.9130.5174.9-57.9174.8000108.9V45 Y60 V62 L80 I85 L86 F89V45-L48 HydrophobicContact CG1-CD2 3.98Å; L48-Y60 HydrophobicContact CD1-CD1 3.78Å; L48-Y60 HydrophobicContact CD1-CE1 4.31Å; L48-Y60 HydrophobicContact CD1-CG 4.32Å; L48-V62 HydrophobicContact CD2-CG2 4Å; L48-L80 HydrophobicContact CD2-CD1 4.18Å; L48-I85 HydrophobicContact CD1-CG2 4.14Å; L48-I85 HydrophobicContact CG-CG2 3.87Å; L48-L86 HydrophobicContact CD1-CD2 3.65Å; L48-L86 HydrophobicContact CD1-CG 4.16Å; L48-F89 HydrophobicContact CB-CB 4.47Å; L48-F89 HydrophobicContact CB-CD2 3.54Å; L48-F89 HydrophobicContact CB-CE2 3.9Å; L48-F89 HydrophobicContact CB-CG 4.09Å; L48-F89 HydrophobicContact CD1-CB 4Å; L48-F89 HydrophobicContact CD1-CD2 4.43Å; L48-F89 HydrophobicContact CD1-CG 4.11Å
49C97.1Very high93.9Very high14 Ų1463.2 Ų63.210%0.09528%0.284CS..EExtended strand (participates in β ladder)trans-94.4-37-174.4-580000112.7Y47 L61 V119Y47-C49 VanDerWaalsContact CE2-SG 3.52Å; C49-L61 HydrophobicContact CB-CB 4.13Å; C49-L61 HydrophobicContact CB-CD2 3.97Å; C49-L61 HydrophobicContact CB-CG 4.02Å; C49-L61 PolarHBondContact N-O 3.06Å; C49-V119 HydrophobicContact CB-CG2 3.76Å
50D97.5Very high94.4Very high34 Ų3461.2 Ų61.218%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-154.1166.1-169.6-160.1-1.4000111.1Y60 L61 W74 L110 A115D50-Y60 VanDerWaalsContact O-CA 3.28Å; D50-Y60 WeakPolarHBondContact O-CA 3.16Å; D50-L61 HydrophobicContact CB-CB 3.66Å; D50-L61 HydrophobicContact CB-CD2 4.15Å; D50-L61 PolarHBondContact O-N 2.9Å; D50-W74 HydrophobicContact CB-CH2 3.66Å; D50-W74 HydrophobicContact CB-CZ2 4.09Å; D50-W74 HydrophobicContact CB-CZ3 4.41Å; D50-W74 WeakPolarHBondContact OD2-CH2 3.45Å; D50-L110 WeakPolarHBondContact OD1-CB 3.41Å; D50-L110 WeakPolarHBondContact OD1-CD1 3.32Å; D50-A115 HydrophobicContact CB-CB 4.47Å
51Y98Very high94.9Very high7 Ų762.4 Ų62.43%0.02728%0.28CS..EExtended strand (participates in β ladder)trans-140.9138.2-177.5171.5-92.7000111.8K53 E58 Y60 F89 T106 P107 L110Y51-K53 HydrophobicContact CE1-CB 4.31Å; Y51-E58 HydrophobicContact CE2-CB 4Å; Y51-E58 HydrophobicContact CE2-CG 4.06Å; Y51-E58 VanDerWaalsContact CE2-OE1 3.24Å; Y51-E58 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E58 PolarHBondContact OH-OE1 2.92Å; Y51-Y60 AromaticContact CD2-CD1 3.97Å; Y51-Y60 HydrophobicContact CD2-CD1 3.97Å; Y51-Y60 AromaticContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE2 4.35Å; Y51-Y60 AromaticContact CD2-CZ 3.72Å; Y51-Y60 HydrophobicContact CE2-CE1 4.12Å; Y51-Y60 HydrophobicContact CE2-CE2 4.45Å; Y51-Y60 AromaticContact CE2-CZ 3.86Å; Y51-F89 HydrophobicContact CG-CE1 4.48Å; Y51-T106 HydrophobicContact CD1-CG2 4.02Å; Y51-T106 HydrophobicContact CE1-CG2 3.49Å; Y51-T106 VanDerWaalsContact CE1-CG2 3.49Å; Y51-P107 WeakPolarHBondContact CE1-O 3.48Å; Y51-L110 HydrophobicContact CD1-CD2 4.33Å; Y51-L110 PolarHBondContact O-N 2.92Å
52K97Very high95.4Very high48 Ų4854.7 Ų54.721%0.20925%0.249CC..EExtended strand (participates in β ladder)trans-144.8149.8166.168.3-170.1177.9-169.30112.1I54 Y59 W74 R108 H109K52-I54 HydrophobicContact CD-CD1 4.39Å; K52-Y59 PolarHBondContact N-O 2.95Å; K52-Y59 PolarHBondContact O-N 2.76Å; K52-W74 HydrophobicContact CB-CH2 4.23Å; K52-W74 HydrophobicContact CB-CZ3 4.17Å; K52-W74 HydrophobicContact CD-CD2 4.24Å; K52-W74 HydrophobicContact CD-CE3 4Å; K52-W74 HydrophobicContact CD-CH2 3.87Å; K52-W74 HydrophobicContact CD-CZ2 4.13Å; K52-W74 HydrophobicContact CD-CZ3 3.82Å; K52-W74 HydrophobicContact CG-CE3 4Å; K52-W74 HydrophobicContact CG-CH2 3.95Å; K52-W74 HydrophobicContact CG-CZ3 3.57Å; K52-R108 CarbonylContact C-O 3.54Å; K52-R108 VanDerWaalsContact CA-O 3.23Å; K52-R108 WeakPolarHBondContact CA-O 3.41Å; K52-H109 WeakPolarHBondContact CB-ND1 3.47Å
53K96.6Very high95.8Very high59 Ų5951.8 Ų51.826%0.25723%0.233SC..EExtended strand (participates in β ladder)trans-118.4115.7173.9-169.6176.2178.7-177.30110.1Y51 R55 E56 Q57 E58 R108Y51-K53 HydrophobicContact CE1-CB 4.31Å; K53-R55 VanDerWaalsContact CE-O 3.22Å; K53-R55 WeakPolarHBondContact CE-O 3.28Å; K53-E56 WeakPolarHBondContact CE-OE2 3.5Å; K53-E56 IonicContact NZ-OE2 2.74Å; K53-E56 PolarHBondContact NZ-OE2 3.07Å; K53-Q57 WeakPolarHBondContact CA-O 3.37Å; K53-E58 HydrophobicContact CG-CG 4.38Å; K53-R108 PolarHBondContact N-O 3.28Å
54I94.8Very high96.1Very high83 Ų8350.2 Ų50.243%0.42623%0.225SC..EExtended strand (participates in β ladder)trans-110115.3176.1-56.2175.1000107.6K52 E56 Q57 Y59K52-I54 HydrophobicContact CD-CD1 4.39Å; I54-E56 PolarHBondContact O-N 2.66Å; I54-Q57 PolarHBondContact N-O 3.41Å; I54-Q57 PolarHBondContact O-N 2.83Å; I54-Y59 HydrophobicContact CB-CE2 4.22Å; I54-Y59 HydrophobicContact CD1-CD2 4.37Å; I54-Y59 HydrophobicContact CD1-CE2 4.22Å; I54-Y59 HydrophobicContact CG1-CD2 4.45Å; I54-Y59 HydrophobicContact CG1-CE2 4.41Å
55R91.9Very high96.1Very high217 Ų21750 Ų5082%0.81922%0.22SC*.THydrogen-bonded Turntrans54.6-120.8-167.7-57.2177.8176.5178.9-1.6109.9K53K53-R55 VanDerWaalsContact CE-O 3.22Å; K53-R55 WeakPolarHBondContact CE-O 3.28Å
56E91.6Very high95.8Very high149 Ų14952.7 Ų52.770%0.69625%0.25SS*.THydrogen-bonded Turntrans-97.60.5175.8-64.4-50.413400114K53 I54K53-E56 WeakPolarHBondContact CE-OE2 3.5Å; K53-E56 IonicContact NZ-OE2 2.74Å; K53-E56 PolarHBondContact NZ-OE2 3.07Å; I54-E56 PolarHBondContact O-N 2.66Å
57Q94.8Very high95.6Very high67 Ų6752.4 Ų52.431%0.31325%0.248SC..EExtended strand (participates in β ladder)trans-96.2128.7-178.1-168.764.442.700111.5K53 I54 Y59K53-Q57 WeakPolarHBondContact CA-O 3.37Å; I54-Q57 PolarHBondContact N-O 3.41Å; I54-Q57 PolarHBondContact O-N 2.83Å; Q57-Y59 HydrophobicContact CB-CE2 3.84Å; Q57-Y59 HydrophobicContact CG-CD2 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.55Å
58E96.8Very high95.5Very high51 Ų5155 Ų5524%0.23827%0.266CS..EExtended strand (participates in β ladder)trans-94.1139.8174-56.5-174.2113.400111.3Y51 K53 Y60 P76 R77Y51-E58 HydrophobicContact CE2-CB 4Å; Y51-E58 HydrophobicContact CE2-CG 4.06Å; Y51-E58 VanDerWaalsContact CE2-OE1 3.24Å; Y51-E58 WeakPolarHBondContact CE2-OE1 3.42Å; Y51-E58 PolarHBondContact OH-OE1 2.92Å; K53-E58 HydrophobicContact CG-CG 4.38Å; E58-Y60 HydrophobicContact CB-CE2 4.01Å; E58-Y60 PolarHBondContact OE2-OH 3.08Å; E58-P76 WeakPolarHBondContact O-CA 3.01Å; E58-R77 HydrophobicContact CB-CB 4.13Å; E58-R77 PolarHBondContact O-N 2.83Å
59Y98.1Very high95.2Very high69 Ų6959.2 Ų59.227%0.27129%0.289SS..EExtended strand (participates in β ladder)trans-128.6145.8175.3-61.5-98000109.9K52 I54 Q57 E75 P76K52-Y59 PolarHBondContact N-O 2.95Å; K52-Y59 PolarHBondContact O-N 2.76Å; I54-Y59 HydrophobicContact CB-CE2 4.22Å; I54-Y59 HydrophobicContact CD1-CD2 4.37Å; I54-Y59 HydrophobicContact CD1-CE2 4.22Å; I54-Y59 HydrophobicContact CG1-CD2 4.45Å; I54-Y59 HydrophobicContact CG1-CE2 4.41Å; Q57-Y59 HydrophobicContact CB-CE2 3.84Å; Q57-Y59 HydrophobicContact CG-CD2 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.55Å; Y59-E75 CarbonylContact C-O 3.59Å; Y59-E75 VanDerWaalsContact CA-O 3.32Å; Y59-E75 WeakPolarHBondContact CA-O 3.34Å; Y59-P76 HydrophobicContact CD1-CB 4.14Å; Y59-P76 HydrophobicContact CE1-CB 3.99Å
60Y98.3Very high95.1Very high1 Ų163.7 Ų63.70%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-128.1138.2177.8-57.5-103.1000109.4L48 D50 Y51 E58 V62 W74 E75 R77 L80 L86 F89 H90L48-Y60 HydrophobicContact CD1-CD1 3.78Å; L48-Y60 HydrophobicContact CD1-CE1 4.31Å; L48-Y60 HydrophobicContact CD1-CG 4.32Å; D50-Y60 VanDerWaalsContact O-CA 3.28Å; D50-Y60 WeakPolarHBondContact O-CA 3.16Å; Y51-Y60 AromaticContact CD2-CD1 3.97Å; Y51-Y60 HydrophobicContact CD2-CD1 3.97Å; Y51-Y60 AromaticContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE1 3.53Å; Y51-Y60 HydrophobicContact CD2-CE2 4.35Å; Y51-Y60 AromaticContact CD2-CZ 3.72Å; Y51-Y60 HydrophobicContact CE2-CE1 4.12Å; Y51-Y60 HydrophobicContact CE2-CE2 4.45Å; Y51-Y60 AromaticContact CE2-CZ 3.86Å; E58-Y60 HydrophobicContact CB-CE2 4.01Å; E58-Y60 PolarHBondContact OE2-OH 3.08Å; Y60-V62 PolarHBondContact O-N 2.92Å; Y60-W74 CarbonylContact O-C 3.52Å; Y60-W74 WeakPolarHBondContact O-CA 3.19Å; Y60-E75 PolarHBondContact N-O 3.2Å; Y60-E75 PolarHBondContact O-N 3.01Å; Y60-R77 HydrophobicContact CE2-CB 4.02Å; Y60-R77 HydrophobicContact CE2-CG 4.49Å; Y60-L80 HydrophobicContact CD2-CD1 3.56Å; Y60-L80 HydrophobicContact CE2-CD1 4.37Å; Y60-L80 HydrophobicContact CG-CD1 3.82Å; Y60-L86 HydrophobicContact CD1-CD2 4.17Å; Y60-L86 HydrophobicContact CD2-CD2 4.32Å; Y60-L86 HydrophobicContact CE1-CD2 3.77Å; Y60-L86 HydrophobicContact CE2-CD2 3.99Å; Y60-L86 HydrophobicContact CG-CD2 4.43Å; Y60-F89 HydrophobicContact CD1-CD1 4.35Å; Y60-F89 HydrophobicContact CD1-CE1 4.18Å; Y60-F89 HydrophobicContact CE1-CD1 4.1Å; Y60-F89 HydrophobicContact CE1-CE1 4.1Å; Y60-H90 AromaticContact CE1-NE2 3.69Å; Y60-H90 AromaticContact CZ-NE2 3.69Å; Y60-H90 PolarHBondContact OH-NE2 2.96Å
61L98.1Very high95Very high38 Ų3866.7 Ų66.720%0.19933%0.333CS..EExtended strand (participates in β ladder)trans-80.4117.2170.2-176.962.6000108.1C49 D50 T73 W74C49-L61 HydrophobicContact CB-CB 4.13Å; C49-L61 HydrophobicContact CB-CD2 3.97Å; C49-L61 HydrophobicContact CB-CG 4.02Å; C49-L61 PolarHBondContact N-O 3.06Å; D50-L61 HydrophobicContact CB-CB 3.66Å; D50-L61 HydrophobicContact CB-CD2 4.15Å; D50-L61 PolarHBondContact O-N 2.9Å; L61-T73 WeakPolarHBondContact CA-O 3.47Å; L61-W74 HydrophobicContact CB-CD2 4.07Å; L61-W74 HydrophobicContact CB-CE3 4.16Å; L61-W74 HydrophobicContact CB-CH2 4.16Å; L61-W74 HydrophobicContact CB-CZ2 4.04Å; L61-W74 HydrophobicContact CB-CZ3 4.19Å; L61-W74 HydrophobicContact CD1-CD2 4.42Å; L61-W74 HydrophobicContact CD1-CG 4.3Å
62V98.1Very high94.9Very high0 Ų067.6 Ų67.60%034%0.34CS..EExtended strand (participates in β ladder)trans-100.1123.3-171.2-178.80000109.8V45 L48 Y60 W64 S72 T73 E75 L80V45-V62 HydrophobicContact CB-CG1 4.21Å; V45-V62 HydrophobicContact CG1-CG1 3.93Å; V45-V62 HydrophobicContact CG2-CG1 3.71Å; L48-V62 HydrophobicContact CD2-CG2 4Å; Y60-V62 PolarHBondContact O-N 2.92Å; V62-W64 HydrophobicContact CB-CD2 4.44Å; V62-W64 HydrophobicContact CB-CH2 4.42Å; V62-W64 HydrophobicContact CB-CZ2 4.04Å; V62-W64 HydrophobicContact CG1-CD2 3.72Å; V62-W64 HydrophobicContact CG1-CE3 3.72Å; V62-W64 HydrophobicContact CG1-CG 4.42Å; V62-W64 HydrophobicContact CG1-CH2 3.93Å; V62-W64 HydrophobicContact CG1-CZ2 3.91Å; V62-W64 HydrophobicContact CG1-CZ3 3.82Å; V62-W64 HydrophobicContact CG2-CZ2 4.49Å; V62-W64 PolarHBondContact O-N 2.83Å; V62-S72 WeakPolarHBondContact O-CA 3.33Å; V62-S72 WeakPolarHBondContact O-CB 3.21Å; V62-T73 PolarHBondContact N-O 3.02Å; V62-T73 PolarHBondContact O-N 3.08Å; V62-E75 HydrophobicContact CB-CG 4.42Å; V62-E75 HydrophobicContact CG2-CB 3.83Å; V62-E75 HydrophobicContact CG2-CG 3.68Å; V62-L80 HydrophobicContact CG2-CD2 3.86Å
63K97.7Very high94.9Very high10 Ų1068 Ų684%0.04335%0.347CS..EExtended strand (participates in β ladder)trans-80.9113.4161.7177.76217760.80109E46 Y47 Y67 D69E46-K63 WeakPolarHBondContact CA-O 3.24Å; E46-K63 HydrophobicContact CB-CB 4.42Å; E46-K63 HydrophobicContact CB-CG 3.97Å; E46-K63 VanDerWaalsContact CB-O 3.23Å; E46-K63 WeakPolarHBondContact CB-O 3.26Å; E46-K63 PolarHBondContact N-O 2.96Å; E46-K63 IonicContact OE2-NZ 2.77Å; E46-K63 PolarHBondContact OE2-NZ 2.85Å; Y47-K63 HydrophobicContact CD1-CB 4.31Å; Y47-K63 HydrophobicContact CD1-CG 4.26Å; Y47-K63 HydrophobicContact CD2-CB 3.82Å; Y47-K63 HydrophobicContact CD2-CG 4.47Å; Y47-K63 HydrophobicContact CE1-CB 4.12Å; Y47-K63 HydrophobicContact CE1-CG 3.73Å; Y47-K63 HydrophobicContact CE2-CB 3.59Å; Y47-K63 HydrophobicContact CE2-CG 3.96Å; Y47-K63 HydrophobicContact CG-CB 4.16Å; Y47-K63 PolarHBondContact O-N 3.43Å; K63-Y67 VanDerWaalsContact CE-O 3.22Å; K63-Y67 WeakPolarHBondContact CE-O 3.45Å; K63-Y67 PolarHBondContact NZ-O 3.49Å; K63-D69 WeakPolarHBondContact CD-OD1 3.4Å; K63-D69 WeakPolarHBondContact CE-OD1 3.44Å
64W95Very high94.9Very high37 Ų3769.2 Ų69.214%0.1435%0.35CS..EExtended strand (participates in β ladder)trans-79.1135.3177.5-58110.6000111.7F43 V45 V62 G66 Y67 E71 T73 E75F43-W64 HydrophobicContact CB-CD2 4.42Å; F43-W64 HydrophobicContact CB-CE3 3.58Å; F43-W64 HydrophobicContact CB-CH2 4.47Å; F43-W64 HydrophobicContact CB-CZ3 3.61Å; V45-W64 HydrophobicContact CG2-CZ3 4.16Å; V62-W64 HydrophobicContact CB-CD2 4.44Å; V62-W64 HydrophobicContact CB-CH2 4.42Å; V62-W64 HydrophobicContact CB-CZ2 4.04Å; V62-W64 HydrophobicContact CG1-CD2 3.72Å; V62-W64 HydrophobicContact CG1-CE3 3.72Å; V62-W64 HydrophobicContact CG1-CG 4.42Å; V62-W64 HydrophobicContact CG1-CH2 3.93Å; V62-W64 HydrophobicContact CG1-CZ2 3.91Å; V62-W64 HydrophobicContact CG1-CZ3 3.82Å; V62-W64 HydrophobicContact CG2-CZ2 4.49Å; V62-W64 PolarHBondContact O-N 2.83Å; W64-G66 PolarHBondContact O-N 3.48Å; W64-Y67 HydrophobicContact CB-CD2 3.63Å; W64-Y67 HydrophobicContact CB-CE2 4.47Å; W64-Y67 HydrophobicContact CB-CG 4.11Å; W64-Y67 PolarHBondContact O-N 2.91Å; W64-E71 VanDerWaalsContact CD1-O 3.26Å; W64-T73 WeakPolarHBondContact CZ2-OG1 3.4Å; W64-T73 PolarHBondContact NE1-OG1 3.41Å; W64-E75 HydrophobicContact CH2-CG 3.94Å; W64-E75 HydrophobicContact CZ2-CG 3.67Å
65R92.5Very high95Very high101 Ų10167.1 Ų67.138%0.38134%0.339SS..THydrogen-bonded Turntrans-66.1127.4-178.3-169.8-179.8-144.8-104.9-0.2110.8N17 E44 E46 Y67N17-R65 PolarHBondContact ND2-NH1 3.39Å; N17-R65 VanDerWaalsContact ND2-NH1 3.15Å; E44-R65 HydrophobicContact CB-CB 4.07Å; E44-R65 HydrophobicContact CG-CB 4.4Å; E44-R65 WeakPolarHBondContact O-CB 3.47Å; E44-R65 PolarHBondContact O-N 3.47Å; E44-R65 VanDerWaalsContact OE1-CD 3.29Å; E44-R65 WeakPolarHBondContact OE1-CD 3.34Å; E44-R65 IonicContact OE1-CZ 3.06Å; E44-R65 IonicContact OE1-NE 3.67Å; E44-R65 PolarHBondContact OE1-NE 3.03Å; E44-R65 WeakPolarHBondContact OE2-CD 3.35Å; E44-R65 IonicContact OE2-NE 2.81Å; E44-R65 IonicContact OE2-NH1 3.39Å; E46-R65 HydrophobicContact CB-CB 4.09Å; E46-R65 WeakPolarHBondContact OE2-CA 3.49Å; R65-Y67 VanDerWaalsContact C-N 3.3Å; R65-Y67 WeakPolarHBondContact O-CD2 3.36Å
66G88.2Confident95.3Very high71 Ų7157.8 Ų57.873%0.73231%0.306SS*.THydrogen-bonded Turntrans86.5-7.4178.700000115.1W64W64-G66 PolarHBondContact O-N 3.48Å
67Y91.6Very high95.5Very high32 Ų3255.1 Ų55.113%0.12529%0.289CS..SBendtrans-100.9157.1178.6-64.6-91000111.4D21 L25 F43 K63 W64 R65 E71D21-Y67 WeakPolarHBondContact CB-OH 3.33Å; L25-Y67 HydrophobicContact CD1-CE1 4.42Å; F43-Y67 HydrophobicContact CD1-CE2 4.33Å; K63-Y67 VanDerWaalsContact CE-O 3.22Å; K63-Y67 WeakPolarHBondContact CE-O 3.45Å; K63-Y67 PolarHBondContact NZ-O 3.49Å; W64-Y67 HydrophobicContact CB-CD2 3.63Å; W64-Y67 HydrophobicContact CB-CE2 4.47Å; W64-Y67 HydrophobicContact CB-CG 4.11Å; W64-Y67 PolarHBondContact O-N 2.91Å; R65-Y67 VanDerWaalsContact C-N 3.3Å; R65-Y67 WeakPolarHBondContact O-CD2 3.36Å; Y67-E71 VanDerWaalsContact CD1-OE2 3.26Å; Y67-E71 WeakPolarHBondContact CD1-OE2 3.23Å
68P93.7Very high95.5Very high65 Ų6558.9 Ų58.942%0.42231%0.307SS..  trans-68.5160.1172.728.6-34.6000112.1S70 E71P68-S70 WeakPolarHBondContact CG-OG 3.48Å; P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.15Å; P68-E71 WeakPolarHBondContact CD-OE1 3.4Å; P68-E71 HydrophobicContact CG-CB 4.49Å; P68-E71 HydrophobicContact CG-CG 4.05Å; P68-E71 PolarHBondContact O-N 3.41Å; P68-E71 VanDerWaalsContact O-N 3.08Å
69D92.4Very high95.4Very high90 Ų9060.5 Ų60.548%0.48132%0.317SS..G310 helixtrans-57.6-28.6178-74.7-5.4000112.1K63 E71 S72 K123K63-D69 WeakPolarHBondContact CD-OD1 3.4Å; K63-D69 WeakPolarHBondContact CE-OD1 3.44Å; D69-E71 PolarHBondContact O-N 3.13Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.48Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-S72 VanDerWaalsContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.25Å; D69-K123 IonicContact OD2-NZ 3.02Å
70S95.3Very high95.3Very high108 Ų10857.5 Ų57.576%0.75531%0.306SS*.G310 helixtrans-63.9-19.6177.455.30000114.7P68P68-S70 WeakPolarHBondContact CG-OG 3.48Å; P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.15Å
71E94.3Very high95.1Very high97 Ų9765.1 Ų65.145%0.45334%0.339SS..G310 helixtrans-94.97.7177.4-72.1-171.7-12600112.8W64 Y67 P68 D69 T73W64-E71 VanDerWaalsContact CD1-O 3.26Å; Y67-E71 VanDerWaalsContact CD1-OE2 3.26Å; Y67-E71 WeakPolarHBondContact CD1-OE2 3.23Å; P68-E71 WeakPolarHBondContact CD-OE1 3.4Å; P68-E71 HydrophobicContact CG-CB 4.49Å; P68-E71 HydrophobicContact CG-CG 4.05Å; P68-E71 PolarHBondContact O-N 3.41Å; P68-E71 VanDerWaalsContact O-N 3.08Å; D69-E71 PolarHBondContact O-N 3.13Å; E71-T73 PolarHBondContact O-N 3.18Å
72S96.3Very high94.9Very high26 Ų2664.6 Ų64.618%0.18234%0.338CS..  trans-64.3131.3176.3-55.10000111.1V62 D69V62-S72 WeakPolarHBondContact O-CA 3.33Å; V62-S72 WeakPolarHBondContact O-CB 3.21Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.48Å; D69-S72 PolarHBondContact O-N 3.15Å; D69-S72 VanDerWaalsContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.25Å
73T96.8Very high94.8Very high57 Ų5768.1 Ų68.135%0.3536%0.36SS..EExtended strand (participates in β ladder)trans-120.3153.7-177.960.20000112.3L61 V62 W64 E71 E75L61-T73 WeakPolarHBondContact CA-O 3.47Å; V62-T73 PolarHBondContact N-O 3.02Å; V62-T73 PolarHBondContact O-N 3.08Å; W64-T73 WeakPolarHBondContact CZ2-OG1 3.4Å; W64-T73 PolarHBondContact NE1-OG1 3.41Å; E71-T73 PolarHBondContact O-N 3.18Å; T73-E75 PolarHBondContact OG1-OE1 3.46Å
74W97.8Very high94.7Very high85 Ų8577.6 Ų77.632%0.32240%0.395SS..EExtended strand (participates in β ladder)trans-82.2115.5172.9-76.796.3000110.3D50 K52 Y60 L61D50-W74 HydrophobicContact CB-CH2 3.66Å; D50-W74 HydrophobicContact CB-CZ2 4.09Å; D50-W74 HydrophobicContact CB-CZ3 4.41Å; D50-W74 WeakPolarHBondContact OD2-CH2 3.45Å; K52-W74 HydrophobicContact CB-CH2 4.23Å; K52-W74 HydrophobicContact CB-CZ3 4.17Å; K52-W74 HydrophobicContact CD-CD2 4.24Å; K52-W74 HydrophobicContact CD-CE3 4Å; K52-W74 HydrophobicContact CD-CH2 3.87Å; K52-W74 HydrophobicContact CD-CZ2 4.13Å; K52-W74 HydrophobicContact CD-CZ3 3.82Å; K52-W74 HydrophobicContact CG-CE3 4Å; K52-W74 HydrophobicContact CG-CH2 3.95Å; K52-W74 HydrophobicContact CG-CZ3 3.57Å; Y60-W74 CarbonylContact O-C 3.52Å; Y60-W74 WeakPolarHBondContact O-CA 3.19Å; L61-W74 HydrophobicContact CB-CD2 4.07Å; L61-W74 HydrophobicContact CB-CE3 4.16Å; L61-W74 HydrophobicContact CB-CH2 4.16Å; L61-W74 HydrophobicContact CB-CZ2 4.04Å; L61-W74 HydrophobicContact CB-CZ3 4.19Å; L61-W74 HydrophobicContact CD1-CD2 4.42Å; L61-W74 HydrophobicContact CD1-CG 4.3Å
75E97Very high94.7Very high39 Ų3978.2 Ų78.218%0.18240%0.401CS..EExtended strand (participates in β ladder)trans-111.1135.6179.2-64.4-55.7137.900111.4Y59 Y60 V62 W64 T73 N79 L80Y59-E75 CarbonylContact C-O 3.59Å; Y59-E75 VanDerWaalsContact CA-O 3.32Å; Y59-E75 WeakPolarHBondContact CA-O 3.34Å; Y60-E75 PolarHBondContact N-O 3.2Å; Y60-E75 PolarHBondContact O-N 3.01Å; V62-E75 HydrophobicContact CB-CG 4.42Å; V62-E75 HydrophobicContact CG2-CB 3.83Å; V62-E75 HydrophobicContact CG2-CG 3.68Å; W64-E75 HydrophobicContact CH2-CG 3.94Å; W64-E75 HydrophobicContact CZ2-CG 3.67Å; T73-E75 PolarHBondContact OG1-OE1 3.46Å; E75-N79 PolarHBondContact OE2-ND2 3.36Å; E75-L80 HydrophobicContact CB-CD2 4.03Å; E75-L80 HydrophobicContact CB-CG 4.36Å
76P97.2Very high95Very high21 Ų2173.8 Ų73.814%0.13639%0.385CS..EExtended strand (participates in β ladder)trans-66.8146.6171.729.7-34.6000110.4E58 Y59 Q78 N79E58-P76 WeakPolarHBondContact O-CA 3.01Å; Y59-P76 HydrophobicContact CD1-CB 4.14Å; Y59-P76 HydrophobicContact CE1-CB 3.99Å; P76-Q78 HydrophobicContact CB-CG 4.19Å; P76-Q78 HydrophobicContact CG-CG 4.14Å; P76-Q78 PolarHBondContact O-N 2.98Å; P76-N79 WeakPolarHBondContact CD-ND2 3.29Å; P76-N79 HydrophobicContact CG-CB 4.36Å; P76-N79 WeakPolarHBondContact O-CB 3.48Å; P76-N79 PolarHBondContact O-N 3.34Å
77R95.9Very high95.4Very high92 Ų9277.6 Ų77.635%0.34738%0.381SS..G310 helixtrans-45.8-37179.7175.457-172.884.12114.5E58 Y60 N79 L80E58-R77 HydrophobicContact CB-CB 4.13Å; E58-R77 PolarHBondContact O-N 2.83Å; Y60-R77 HydrophobicContact CE2-CB 4.02Å; Y60-R77 HydrophobicContact CE2-CG 4.49Å; R77-N79 PolarHBondContact O-N 3.09Å; R77-L80 PolarHBondContact NH1-O 3.11Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-L80 VanDerWaalsContact O-N 3.15Å
78Q94.7Very high95.6Very high146 Ų14677.8 Ų77.868%0.68238%0.383SS*.G310 helixtrans-64.3-25.3-178.969.8-171.413.500113.7P76 L80P76-Q78 HydrophobicContact CB-CG 4.19Å; P76-Q78 HydrophobicContact CG-CG 4.14Å; P76-Q78 PolarHBondContact O-N 2.98Å; Q78-L80 VanDerWaalsContact C-N 3.35Å
79N94.8Very high95.8Very high85 Ų8575.2 Ų75.246%0.45537%0.365SS..G310 helixtrans-79.6-20.9176.9-68.14.9000111.9E75 P76 R77 K81E75-N79 PolarHBondContact OE2-ND2 3.36Å; P76-N79 WeakPolarHBondContact CD-ND2 3.29Å; P76-N79 HydrophobicContact CG-CB 4.36Å; P76-N79 WeakPolarHBondContact O-CB 3.48Å; P76-N79 PolarHBondContact O-N 3.34Å; R77-N79 PolarHBondContact O-N 3.09Å; N79-K81 PolarHBondContact O-N 3.38Å
80L95.4Very high96Very high6 Ų673.3 Ų73.33%0.03135%0.353CS..  trans-89.798.7-172.9-59.6179.3000111.6V45 L48 Y60 V62 E75 R77 Q78 C82 L86V45-L80 HydrophobicContact CG2-CD2 4.19Å; L48-L80 HydrophobicContact CD2-CD1 4.18Å; Y60-L80 HydrophobicContact CD2-CD1 3.56Å; Y60-L80 HydrophobicContact CE2-CD1 4.37Å; Y60-L80 HydrophobicContact CG-CD1 3.82Å; V62-L80 HydrophobicContact CG2-CD2 3.86Å; E75-L80 HydrophobicContact CB-CD2 4.03Å; E75-L80 HydrophobicContact CB-CG 4.36Å; R77-L80 PolarHBondContact NH1-O 3.11Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-L80 VanDerWaalsContact O-N 3.15Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; L80-C82 VanDerWaalsContact C-N 3.28Å; L80-L86 HydrophobicContact CB-CD1 3.92Å; L80-L86 HydrophobicContact CD1-CD2 4Å
81K94Very high96Very high161 Ų16172.1 Ų72.170%0.734%0.335SS*.  trans-81.1-4.3173.9-59.5174.8-171.9160.10113.2D42 N79 V83D42-K81 IonicContact OD1-NZ 3.24Å; D42-K81 PolarHBondContact OD1-NZ 3.27Å; D42-K81 IonicContact OD2-NZ 3.96Å; N79-K81 PolarHBondContact O-N 3.38Å; K81-V83 VanDerWaalsContact C-N 3.3Å; K81-V83 PolarHBondContact O-N 2.95Å
82C93.8Very high96.1Very high27 Ų2767.9 Ų67.918%0.18232%0.315CS..  trans-80.362.5-175.657.60000113.5V45 L80 R84 I85 L86V45-C82 HydrophobicContact CB-CB 4.49Å; L80-C82 VanDerWaalsContact C-N 3.28Å; C82-R84 PolarHBondContact O-N 2.87Å; C82-I85 HydrophobicContact CB-CB 4.18Å; C82-I85 HydrophobicContact CB-CD1 4.11Å; C82-I85 HydrophobicContact CB-CG1 4.27Å; C82-I85 PolarHBondContact O-N 3.05Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-L86 VanDerWaalsContact O-N 3.08Å
83V95.8Very high96Very high74 Ų7466.7 Ų66.745%0.44831%0.306SS..Hα-helixtrans-50.4-39.5-173.8-179.70000113.4K81 K87K81-V83 VanDerWaalsContact C-N 3.3Å; K81-V83 PolarHBondContact O-N 2.95Å; V83-K87 HydrophobicContact CG1-CD 4.17Å; V83-K87 HydrophobicContact CG1-CG 4.4Å; V83-K87 WeakPolarHBondContact O-CB 3.5Å; V83-K87 WeakPolarHBondContact O-CG 3.22Å; V83-K87 PolarHBondContact O-N 3.38Å
84R95.7Very high96Very high209 Ų20968.3 Ų68.379%0.78931%0.31SS*.Hα-helixtrans-66.3-40.9179.1-68.4179.667.4-176.72.1112.7C82 Q88C82-R84 PolarHBondContact O-N 2.87Å; R84-Q88 WeakPolarHBondContact O-CB 3.23Å; R84-Q88 PolarHBondContact O-N 2.79Å
85I96.5Very high95.8Very high51 Ų5169 Ų6926%0.26231%0.313SS..Hα-helixtrans-69.7-43.3179.5-60.3-179.4000109.7V45 L48 C82 Q88 F89V45-I85 HydrophobicContact CB-CD1 4.06Å; V45-I85 HydrophobicContact CG1-CD1 3.89Å; V45-I85 HydrophobicContact CG1-CG2 4.27Å; V45-I85 WeakPolarHBondContact O-CD1 3.19Å; L48-I85 HydrophobicContact CD1-CG2 4.14Å; L48-I85 HydrophobicContact CG-CG2 3.87Å; C82-I85 HydrophobicContact CB-CB 4.18Å; C82-I85 HydrophobicContact CB-CD1 4.11Å; C82-I85 HydrophobicContact CB-CG1 4.27Å; C82-I85 PolarHBondContact O-N 3.05Å; I85-Q88 PolarHBondContact O-N 3.27Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 2.8Å
86L97.4Very high95.7Very high7 Ų767.6 Ų67.64%0.03731%0.306CS..Hα-helixtrans-59.3-49175.6-76.6162.7000112.5L48 Y60 L80 C82 Q88 F89 H90L48-L86 HydrophobicContact CD1-CD2 3.65Å; L48-L86 HydrophobicContact CD1-CG 4.16Å; Y60-L86 HydrophobicContact CD1-CD2 4.17Å; Y60-L86 HydrophobicContact CD2-CD2 4.32Å; Y60-L86 HydrophobicContact CE1-CD2 3.77Å; Y60-L86 HydrophobicContact CE2-CD2 3.99Å; Y60-L86 HydrophobicContact CG-CD2 4.43Å; L80-L86 HydrophobicContact CB-CD1 3.92Å; L80-L86 HydrophobicContact CD1-CD2 4Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-L86 VanDerWaalsContact O-N 3.08Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.75Å; L86-F89 PolarHBondContact O-N 2.59Å; L86-H90 PolarHBondContact O-CD2 3.47Å; L86-H90 PolarHBondContact O-N 3.31Å; L86-H90 VanDerWaalsContact O-N 3.09Å
87K96.7Very high95.5Very high151 Ų15167.1 Ų67.166%0.65730%0.302SS*.Hα-helixtrans-59.8-41.8176.6-76.4-177177.5-173.50111.7V83 K91V83-K87 HydrophobicContact CG1-CD 4.17Å; V83-K87 HydrophobicContact CG1-CG 4.4Å; V83-K87 WeakPolarHBondContact O-CB 3.5Å; V83-K87 WeakPolarHBondContact O-CG 3.22Å; V83-K87 PolarHBondContact O-N 3.38Å; K87-K91 WeakPolarHBondContact O-CB 3.47Å; K87-K91 PolarHBondContact O-N 2.67Å
88Q96.2Very high95.4Very high37 Ų3766.4 Ų66.417%0.17331%0.305CS..Hα-helixtrans-66.2-44.1179.1-173.758.672.600112.2R84 I85 L86 H90 K91 D92R84-Q88 WeakPolarHBondContact O-CB 3.23Å; R84-Q88 PolarHBondContact O-N 2.79Å; I85-Q88 PolarHBondContact O-N 3.27Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 2.75Å; Q88-H90 PolarHBondContact O-N 3.25Å; Q88-K91 PolarHBondContact O-N 2.89Å; Q88-D92 VanDerWaalsContact NE2-CG 3.34Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact NE2-OD2 3.16Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.47Å
89F97.4Very high95.2Very high10 Ų1067.2 Ų67.24%0.04430%0.302CS..Hα-helixtrans-57.7-47.9176.8177.4-89.6000111.7L48 Y51 Y60 I85 L86 K91 D92 L93 L110 L118L48-F89 HydrophobicContact CB-CB 4.47Å; L48-F89 HydrophobicContact CB-CD2 3.54Å; L48-F89 HydrophobicContact CB-CE2 3.9Å; L48-F89 HydrophobicContact CB-CG 4.09Å; L48-F89 HydrophobicContact CD1-CB 4Å; L48-F89 HydrophobicContact CD1-CD2 4.43Å; L48-F89 HydrophobicContact CD1-CG 4.11Å; Y51-F89 HydrophobicContact CG-CE1 4.48Å; Y60-F89 HydrophobicContact CD1-CD1 4.35Å; Y60-F89 HydrophobicContact CD1-CE1 4.18Å; Y60-F89 HydrophobicContact CE1-CD1 4.1Å; Y60-F89 HydrophobicContact CE1-CE1 4.1Å; I85-F89 WeakPolarHBondContact O-CB 3.32Å; I85-F89 PolarHBondContact O-N 2.8Å; L86-F89 PolarHBondContact O-N 2.59Å; F89-K91 PolarHBondContact O-N 3.31Å; F89-D92 PolarHBondContact O-N 3.03Å; F89-L93 HydrophobicContact CE1-CD2 4.21Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 2.82Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-L110 HydrophobicContact CZ-CD1 4.12Å; F89-L118 HydrophobicContact CD2-CD1 4.33Å; F89-L118 HydrophobicContact CE1-CD1 4.32Å; F89-L118 HydrophobicContact CE2-CB 4.13Å; F89-L118 HydrophobicContact CE2-CD1 3.57Å; F89-L118 HydrophobicContact CE2-CG 4.37Å; F89-L118 HydrophobicContact CZ-CD1 3.56Å
90H96.3Very high95Very high51 Ų5166.9 Ų66.924%0.23629%0.294CS..Hα-helixtrans-66.9-35178.3-80.4-67.3000113Y60 L86 Q88 L93 E94Y60-H90 AromaticContact CE1-NE2 3.69Å; Y60-H90 AromaticContact CZ-NE2 3.69Å; Y60-H90 PolarHBondContact OH-NE2 2.96Å; L86-H90 PolarHBondContact O-CD2 3.47Å; L86-H90 PolarHBondContact O-N 3.31Å; L86-H90 VanDerWaalsContact O-N 3.09Å; Q88-H90 PolarHBondContact O-N 3.25Å; H90-L93 PolarHBondContact O-N 2.87Å; H90-E94 VanDerWaalsContact O-CB 3.31Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.45Å
91K95.7Very high94.6Very high83 Ų8371.6 Ų71.636%0.36132%0.316SS..Hα-helixtrans-63.6-44.3173-175.9-176.3178.4-1680111.8K87 Q88 F89 R95K87-K91 WeakPolarHBondContact O-CB 3.47Å; K87-K91 PolarHBondContact O-N 2.67Å; Q88-K91 PolarHBondContact O-N 2.89Å; F89-K91 PolarHBondContact O-N 3.31Å; K91-R95 WeakPolarHBondContact O-CB 3.45Å; K91-R95 VanDerWaalsContact O-CG 3.28Å; K91-R95 WeakPolarHBondContact O-CG 3.34Å; K91-R95 PolarHBondContact O-N 3.07Å; K91-R95 VanDerWaalsContact O-N 3.17Å
92D96.2Very high94.3Very high7 Ų772 Ų724%0.03732%0.32CS..Hα-helixtrans-67.2-39.4178.3-66.1-27.3000110.7Q88 F89 E96 L118 K121 R125Q88-D92 VanDerWaalsContact NE2-CG 3.34Å; Q88-D92 PolarHBondContact NE2-OD1 3.15Å; Q88-D92 PolarHBondContact NE2-OD2 3.16Å; Q88-D92 VanDerWaalsContact O-CG 3.27Å; Q88-D92 PolarHBondContact O-N 3.47Å; F89-D92 PolarHBondContact O-N 3.03Å; D92-E96 PolarHBondContact O-N 2.99Å; D92-E96 VanDerWaalsContact O-N 3.1Å; D92-L118 HydrophobicContact CB-CD2 3.85Å; D92-K121 HydrophobicContact CB-CG 4.13Å; D92-R125 IonicContact OD1-CZ 2.61Å; D92-R125 IonicContact OD1-NH2 2.7Å; D92-R125 PolarHBondContact OD1-NH2 3.19Å; D92-R125 IonicContact OD2-NE 3.37Å; D92-R125 IonicContact OD2-NH2 3.2Å
93L95.8Very high94Very high1 Ų179.7 Ų79.71%0.00535%0.345CS..Hα-helixtrans-63.7-49.8175.4173.959.2000112.4F89 H90 R95 E96 L97 T106 L110 L114 L118F89-L93 HydrophobicContact CE1-CD2 4.21Å; F89-L93 VanDerWaalsContact O-CB 3.31Å; F89-L93 WeakPolarHBondContact O-CB 2.82Å; F89-L93 PolarHBondContact O-N 3.48Å; H90-L93 PolarHBondContact O-N 2.87Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.41Å; L93-E96 PolarHBondContact O-N 2.68Å; L93-L97 HydrophobicContact CD1-CD1 3.8Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; L93-T106 HydrophobicContact CD2-CG2 3.87Å; L93-L110 HydrophobicContact CD1-CD2 3.76Å; L93-L110 HydrophobicContact CD2-CD2 4.2Å; L93-L114 HydrophobicContact CD1-CD1 4.13Å; L93-L114 HydrophobicContact CD1-CD2 3.68Å; L93-L114 HydrophobicContact CD1-CG 4.02Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 4.16Å
94E95Very high93.4Very high92 Ų9279 Ų7943%0.4334%0.343SS..Hα-helixtrans-59.3-42.8179.2-179.3174.2-158.100111.6H90 L97 L98H90-E94 VanDerWaalsContact O-CB 3.31Å; H90-E94 WeakPolarHBondContact O-CB 3.41Å; H90-E94 PolarHBondContact O-N 3.45Å; E94-L97 PolarHBondContact O-N 3.15Å; E94-L98 HydrophobicContact CG-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 3.16Å
95R93.8Very high93.1Very high98 Ų9877.8 Ų77.837%0.3734%0.344SS..Hα-helixtrans-62.6-45.7177.5-76.2174.1171.8-159.1-16.9112.6K91 L93 L98 R99 E150K91-R95 WeakPolarHBondContact O-CB 3.45Å; K91-R95 VanDerWaalsContact O-CG 3.28Å; K91-R95 WeakPolarHBondContact O-CG 3.34Å; K91-R95 PolarHBondContact O-N 3.07Å; K91-R95 VanDerWaalsContact O-N 3.17Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.41Å; R95-L98 PolarHBondContact O-N 3.4Å; R95-R99 WeakPolarHBondContact O-CB 3.43Å; R95-R99 PolarHBondContact O-N 2.92Å; R95-E150 IonicContact CZ-OE2 3.83Å; R95-E150 IonicContact NH1-OE1 3.67Å; R95-E150 IonicContact NH1-OE2 2.95Å; R95-E150 PolarHBondContact NH1-OE2 2.61Å
96E94.6Very high92.8Very high11 Ų1177.9 Ų77.95%0.05135%0.347CS..Hα-helixtrans-69.6-35.6179.9-172.864.3-177.400111.9D92 L93 R99 R100 L114 Y117D92-E96 PolarHBondContact O-N 2.99Å; D92-E96 VanDerWaalsContact O-N 3.1Å; L93-E96 PolarHBondContact O-N 2.68Å; E96-R99 PolarHBondContact O-N 2.92Å; E96-R100 HydrophobicContact CG-CG 4.41Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 WeakPolarHBondContact O-CG 3.01Å; E96-R100 PolarHBondContact O-N 2.7Å; E96-R100 IonicContact OE1-CZ 2.9Å; E96-R100 IonicContact OE1-NE 2.82Å; E96-R100 PolarHBondContact OE1-NE 3.02Å; E96-R100 IonicContact OE1-NH2 3.77Å; E96-R100 PolarHBondContact OE1-NH2 3.26Å; E96-L114 HydrophobicContact CB-CD1 3.92Å; E96-L114 HydrophobicContact CG-CD1 3.49Å; E96-L114 VanDerWaalsContact CG-CD1 3.49Å; E96-Y117 HydrophobicContact CB-CD1 3.84Å; E96-Y117 HydrophobicContact CB-CE1 3.6Å; E96-Y117 HydrophobicContact CG-CD1 3.58Å; E96-Y117 HydrophobicContact CG-CD2 4.35Å; E96-Y117 HydrophobicContact CG-CE1 3.74Å; E96-Y117 HydrophobicContact CG-CE2 4.46Å; E96-Y117 HydrophobicContact CG-CG 3.92Å; E96-Y117 WeakPolarHBondContact OE2-CE2 3.31Å; E96-Y117 VanDerWaalsContact OE2-CZ 3.29Å
97L94.3Very high92.5Very high10 Ų1079.7 Ų79.75%0.05236%0.359CS..Hα-helixtrans-64.3-43.4173.1-72.3173.1000111.9L93 E94 R99 R100 H101 R103 L114L93-L97 HydrophobicContact CD1-CD1 3.8Å; L93-L97 HydrophobicContact CD1-CG 3.92Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.46Å; L93-L97 WeakPolarHBondContact O-CB 3.26Å; L93-L97 VanDerWaalsContact O-CG 3.26Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 2.94Å; E94-L97 PolarHBondContact O-N 3.15Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.31Å; L97-R100 PolarHBondContact O-N 3.42Å; L97-H101 PolarHBondContact O-N 3.17Å; L97-R103 CarbonylContact C-O 3.58Å; L97-R103 VanDerWaalsContact CB-O 3.26Å; L97-R103 WeakPolarHBondContact CB-O 3.44Å; L97-L114 HydrophobicContact CD2-CD2 3.71Å; L97-L114 HydrophobicContact CG-CD2 4.35Å
98L93.6Very high92.4Very high78 Ų7881 Ų8141%0.40836%0.36SS..Hα-helixtrans-61.5-41.4174.9-76.2168.1000111.3E94 R95 H102 R103E94-L98 HydrophobicContact CG-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 3.16Å; R95-L98 PolarHBondContact O-N 3.4Å; L98-H102 VanDerWaalsContact O-CA 3.26Å; L98-H102 WeakPolarHBondContact O-CA 3.31Å; L98-H102 PolarHBondContact O-N 3.1Å; L98-R103 PolarHBondContact N-O 2.95Å
99R90Very high92.3Very high162 Ų16284.7 Ų84.761%0.61138%0.377SS*.Hα-helixtrans-65.5-42.4177.3-175.5-175.4174.9176.23.1113R95 E96 L97R95-R99 WeakPolarHBondContact O-CB 3.43Å; R95-R99 PolarHBondContact O-N 2.92Å; E96-R99 PolarHBondContact O-N 2.92Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.31Å
100R90.7Very high92.2Very high79 Ų7985 Ų8530%0.29838%0.379SS..Hα-helixtrans-82.9-36.5-175.7-70.3-176.7-174.4-161.71.9114.1E96 L97 D111 S113E96-R100 HydrophobicContact CG-CG 4.41Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 WeakPolarHBondContact O-CG 3.01Å; E96-R100 PolarHBondContact O-N 2.7Å; E96-R100 IonicContact OE1-CZ 2.9Å; E96-R100 IonicContact OE1-NE 2.82Å; E96-R100 PolarHBondContact OE1-NE 3.02Å; E96-R100 IonicContact OE1-NH2 3.77Å; E96-R100 PolarHBondContact OE1-NH2 3.26Å; L97-R100 PolarHBondContact O-N 3.42Å; R100-D111 IonicContact NH1-OD1 3.94Å; R100-S113 PolarHBondContact NH1-OG 2.97Å; R100-S113 PolarHBondContact NH2-OG 2.93Å
101H88Confident92.1Very high104 Ų10485.6 Ų85.648%0.48138%0.384SS..Hα-helixtrans-131.2-0.1-164.8-57.6-52.3000113.9L97 R103L97-H101 PolarHBondContact O-N 3.17Å; H101-R103 PolarHBondContact O-N 2.77Å; H101-R103 VanDerWaalsContact O-N 3.17Å
102H87.2Confident92.1Very high169 Ų16987 Ų8778%0.78240%0.402SS*.SBendtrans52.732.9-173.4-57.7-73.5000113.1L98L98-H102 VanDerWaalsContact O-CA 3.26Å; L98-H102 WeakPolarHBondContact O-CA 3.31Å; L98-H102 PolarHBondContact O-N 3.1Å
103R86.9Confident92.1Very high190 Ų19089.8 Ų89.872%0.71742%0.422SS*.  trans-140.1145.7179.6-68.5178.7179.1-179.70109.9L97 L98 H101L97-R103 CarbonylContact C-O 3.58Å; L97-R103 VanDerWaalsContact CB-O 3.26Å; L97-R103 WeakPolarHBondContact CB-O 3.44Å; L98-R103 PolarHBondContact N-O 2.95Å; H101-R103 PolarHBondContact O-N 2.77Å; H101-R103 VanDerWaalsContact O-N 3.17Å
104S84.5Confident92Very high58 Ų5889.8 Ų89.841%0.40642%0.422SS..  trans-102.8-5.1179.354.90000114.3T106S104-T106 PolarHBondContact O-N 2.82Å; S104-T106 VanDerWaalsContact O-N 3.16Å
105K89Confident92.1Very high184 Ų18486 Ų8680%0.841%0.406SS*.  trans-69.1115.7-174.3-171.6177.9-176.9176.90111.1
106T89.8Confident92.3Very high53 Ų5385.8 Ų85.833%0.32541%0.412SS..  trans-56.3122.8174.3-53.50000111.3Y51 L93 S104Y51-T106 HydrophobicContact CD1-CG2 4.02Å; Y51-T106 HydrophobicContact CE1-CG2 3.49Å; Y51-T106 VanDerWaalsContact CE1-CG2 3.49Å; L93-T106 HydrophobicContact CD2-CG2 3.87Å; S104-T106 PolarHBondContact O-N 2.82Å; S104-T106 VanDerWaalsContact O-N 3.16Å
107P91.4Very high92.4Very high46 Ų4686.3 Ų86.330%0.29941%0.414SS..  trans-73.7160.5177.732.5-36.4000111Y51 H109 L110Y51-P107 WeakPolarHBondContact CE1-O 3.48Å; P107-H109 WeakPolarHBondContact CB-O 3.28Å; P107-H109 WeakPolarHBondContact CG-O 3.37Å; P107-H109 PolarHBondContact O-N 3.25Å; P107-L110 HydrophobicContact CG-CD2 3.87Å
108R93.4Very high92.6Very high177 Ų17786 Ų8667%0.66841%0.412SS*.SBendtrans-66.7-27176.6-73.6-173.1176.2179.3-1.5113.1K52 K53K52-R108 CarbonylContact C-O 3.54Å; K52-R108 VanDerWaalsContact CA-O 3.23Å; K52-R108 WeakPolarHBondContact CA-O 3.41Å; K53-R108 PolarHBondContact N-O 3.28Å
109H94.8Very high92.7Very high115 Ų11583.3 Ų83.353%0.53240%0.399SS..BIsolated β-bridgetrans-140.6140.6176-62.4-85000107.6K52 P107K52-H109 WeakPolarHBondContact CB-ND1 3.47Å; P107-H109 WeakPolarHBondContact CB-O 3.28Å; P107-H109 WeakPolarHBondContact CG-O 3.37Å; P107-H109 PolarHBondContact O-N 3.25Å
110L95.4Very high93.1Very high18 Ų1879.5 Ų79.59%0.09439%0.388CS..  trans-78.7143.5170.8-51.3-172.3000109.6D50 Y51 F89 L93 P107 L114 A115 L118D50-L110 WeakPolarHBondContact OD1-CB 3.41Å; D50-L110 WeakPolarHBondContact OD1-CD1 3.32Å; Y51-L110 HydrophobicContact CD1-CD2 4.33Å; Y51-L110 PolarHBondContact O-N 2.92Å; F89-L110 HydrophobicContact CZ-CD1 4.12Å; L93-L110 HydrophobicContact CD1-CD2 3.76Å; L93-L110 HydrophobicContact CD2-CD2 4.2Å; P107-L110 HydrophobicContact CG-CD2 3.87Å; L110-L114 HydrophobicContact CB-CD2 4.49Å; L110-L114 HydrophobicContact CD2-CD2 3.88Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; L110-A115 HydrophobicContact CB-CB 4.31Å; L110-A115 HydrophobicContact CD1-CB 4.45Å; L110-L118 HydrophobicContact CD1-CD1 3.48Å; L110-L118 VanDerWaalsContact CD1-CD1 3.48Å
111D94.3Very high93.4Very high62 Ų6275.9 Ų75.933%0.33238%0.375SS..  trans-72.4157.3164.669.281.2000110.4R100 S113 L114 A115R100-D111 IonicContact NH1-OD1 3.94Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.23Å; D111-S113 WeakPolarHBondContact OD1-CB 3.23Å; D111-S113 PolarHBondContact OD1-N 3.27Å; D111-L114 PolarHBondContact O-N 3.21Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact OD1-N 2.85Å; D111-L114 WeakPolarHBondContact OD2-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.07Å
112P95.9Very high93.9Very high114 Ų11471.8 Ų71.874%0.7436%0.358SS*.Hα-helixtrans-57.8-30.7-177.6-27.635.7000114.8N116P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.37Å; P112-N116 PolarHBondContact O-N 3.16Å
113S95.2Very high94.4Very high65 Ų6567.4 Ų67.446%0.45534%0.337SS..Hα-helixtrans-72.5-40.8179.3169.60000111.3R100 D111 Y117R100-S113 PolarHBondContact NH1-OG 2.97Å; R100-S113 PolarHBondContact NH2-OG 2.93Å; D111-S113 PolarHBondContact O-N 3.42Å; D111-S113 VanDerWaalsContact O-N 3.16Å; D111-S113 WeakPolarHBondContact OD1-CA 3.36Å; D111-S113 VanDerWaalsContact OD1-CB 3.23Å; D111-S113 WeakPolarHBondContact OD1-CB 3.23Å; D111-S113 PolarHBondContact OD1-N 3.27Å; S113-Y117 WeakPolarHBondContact O-CB 3.36Å; S113-Y117 PolarHBondContact O-N 2.88Å
114L95.3Very high94.9Very high1 Ų158.9 Ų58.91%0.00531%0.305CS..Hα-helixtrans-67.7-43.8175.4-175.957000111.6L93 E96 L97 L110 D111 Y117 L118L93-L114 HydrophobicContact CD1-CD1 4.13Å; L93-L114 HydrophobicContact CD1-CD2 3.68Å; L93-L114 HydrophobicContact CD1-CG 4.02Å; E96-L114 HydrophobicContact CB-CD1 3.92Å; E96-L114 HydrophobicContact CG-CD1 3.49Å; E96-L114 VanDerWaalsContact CG-CD1 3.49Å; L97-L114 HydrophobicContact CD2-CD2 3.71Å; L97-L114 HydrophobicContact CG-CD2 4.35Å; L110-L114 HydrophobicContact CB-CD2 4.49Å; L110-L114 HydrophobicContact CD2-CD2 3.88Å; L110-L114 HydrophobicContact CD2-CG 4.42Å; D111-L114 PolarHBondContact O-N 3.21Å; D111-L114 VanDerWaalsContact O-N 3.15Å; D111-L114 PolarHBondContact OD1-N 2.85Å; D111-L114 WeakPolarHBondContact OD2-CB 3.48Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å
115A96.9Very high95.5Very high12 Ų1257.7 Ų57.710%0.09929%0.292CS..Hα-helixtrans-60.1-46.4174.200000111.6D50 L110 D111 Y117 L118 V119D50-A115 HydrophobicContact CB-CB 4.47Å; L110-A115 HydrophobicContact CB-CB 4.31Å; L110-A115 HydrophobicContact CD1-CB 4.45Å; D111-A115 PolarHBondContact O-N 3.07Å; A115-Y117 VanDerWaalsContact C-N 3.34Å; A115-Y117 PolarHBondContact O-N 3.47Å; A115-L118 PolarHBondContact O-N 3.35Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 2.9Å
116N97Very high95.8Very high93 Ų9352.8 Ų52.850%0.49727%0.269SS..Hα-helixtrans-60.1-42.7175.7-179.350.4000111.9P112 L118 V119 Q120P112-N116 VanDerWaalsContact O-CB 3.26Å; P112-N116 WeakPolarHBondContact O-CB 3.37Å; P112-N116 PolarHBondContact O-N 3.16Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.9Å; N116-V119 PolarHBondContact O-N 3.46Å; N116-Q120 WeakPolarHBondContact O-CG 3.31Å; N116-Q120 PolarHBondContact O-N 2.81Å
117Y97.1Very high96.2Very high23 Ų2351.3 Ų51.39%0.0926%0.261CS..Hα-helixtrans-56.4-46.9175.1172.4-88.5000111.9E96 S113 L114 A115 V119 Q120 K121 L153E96-Y117 HydrophobicContact CB-CD1 3.84Å; E96-Y117 HydrophobicContact CB-CE1 3.6Å; E96-Y117 HydrophobicContact CG-CD1 3.58Å; E96-Y117 HydrophobicContact CG-CD2 4.35Å; E96-Y117 HydrophobicContact CG-CE1 3.74Å; E96-Y117 HydrophobicContact CG-CE2 4.46Å; E96-Y117 HydrophobicContact CG-CG 3.92Å; E96-Y117 WeakPolarHBondContact OE2-CE2 3.31Å; E96-Y117 VanDerWaalsContact OE2-CZ 3.29Å; S113-Y117 WeakPolarHBondContact O-CB 3.36Å; S113-Y117 PolarHBondContact O-N 2.88Å; L114-Y117 WeakPolarHBondContact O-CB 3.39Å; L114-Y117 PolarHBondContact O-N 3.08Å; A115-Y117 VanDerWaalsContact C-N 3.34Å; A115-Y117 PolarHBondContact O-N 3.47Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 3.5Å; Y117-Q120 PolarHBondContact O-N 2.82Å; Y117-Q120 VanDerWaalsContact O-N 3.17Å; Y117-K121 HydrophobicContact CE1-CB 4.26Å; Y117-K121 HydrophobicContact CE1-CG 4.48Å; Y117-K121 WeakPolarHBondContact O-CB 3.26Å; Y117-K121 PolarHBondContact O-N 3.17Å; Y117-L153 HydrophobicContact CD2-CD1 3.99Å; Y117-L153 HydrophobicContact CD2-CD2 4.36Å; Y117-L153 HydrophobicContact CD2-CG 4.39Å; Y117-L153 HydrophobicContact CE2-CD1 4.14Å; Y117-L153 HydrophobicContact CE2-CD2 3.96Å; Y117-L153 HydrophobicContact CE2-CG 4.05Å
118L97.3Very high96.5Very high3 Ų349.5 Ų49.52%0.01625%0.249CC..Hα-helixtrans-63.8-38.3-179.9-66172.6000112.2F89 D92 L93 L110 L114 A115 N116 K121 A122F89-L118 HydrophobicContact CD2-CD1 4.33Å; F89-L118 HydrophobicContact CE1-CD1 4.32Å; F89-L118 HydrophobicContact CE2-CB 4.13Å; F89-L118 HydrophobicContact CE2-CD1 3.57Å; F89-L118 HydrophobicContact CE2-CG 4.37Å; F89-L118 HydrophobicContact CZ-CD1 3.56Å; D92-L118 HydrophobicContact CB-CD2 3.85Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 4.16Å; L110-L118 HydrophobicContact CD1-CD1 3.48Å; L110-L118 VanDerWaalsContact CD1-CD1 3.48Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å; A115-L118 PolarHBondContact O-N 3.35Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 2.9Å; L118-K121 PolarHBondContact O-N 2.96Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.12Å
119V97.5Very high96.7Very high22 Ų2246.7 Ų46.713%0.13324%0.239CC..Hα-helixtrans-60.8-48.1172.1172.40000110.9Y47 C49 A115 N116 Y117 K121 A122 K123Y47-V119 HydrophobicContact CE2-CG1 4.06Å; C49-V119 HydrophobicContact CB-CG2 3.76Å; A115-V119 WeakPolarHBondContact O-CG2 3.4Å; A115-V119 PolarHBondContact O-N 2.9Å; N116-V119 PolarHBondContact O-N 3.46Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 3.5Å; V119-K121 PolarHBondContact O-N 3.42Å; V119-A122 PolarHBondContact O-N 3.35Å; V119-K123 HydrophobicContact CG1-CD 4.18Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.42Å
120Q97.7Very high96.8Very high82 Ų8248.5 Ų48.538%0.38324%0.241SC..Hα-helixtrans-62.8-42.8178.1-64-55.9-30.300111.5N116 Y117 A122 K123 Q124 L153N116-Q120 WeakPolarHBondContact O-CG 3.31Å; N116-Q120 PolarHBondContact O-N 2.81Å; Y117-Q120 PolarHBondContact O-N 2.82Å; Y117-Q120 VanDerWaalsContact O-N 3.17Å; Q120-A122 VanDerWaalsContact C-N 3.35Å; Q120-A122 PolarHBondContact O-N 3.19Å; Q120-K123 PolarHBondContact O-N 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 PolarHBondContact O-N 2.97Å; Q120-L153 HydrophobicContact CB-CD1 3.88Å; Q120-L153 HydrophobicContact CB-CD2 4.2Å
121K97.9Very high97Very high3 Ų348.3 Ų48.31%0.01324%0.239CC..Hα-helixtrans-62-41.7177.3-16870.7-172.3161.70111.7D92 Y117 L118 V119 Q124 R125 N149 D152 L153D92-K121 HydrophobicContact CB-CG 4.13Å; Y117-K121 HydrophobicContact CE1-CB 4.26Å; Y117-K121 HydrophobicContact CE1-CG 4.48Å; Y117-K121 WeakPolarHBondContact O-CB 3.26Å; Y117-K121 PolarHBondContact O-N 3.17Å; L118-K121 PolarHBondContact O-N 2.96Å; V119-K121 PolarHBondContact O-N 3.42Å; K121-Q124 VanDerWaalsContact CD-OE1 3.29Å; K121-Q124 PolarHBondContact O-N 3.27Å; K121-R125 WeakPolarHBondContact O-CB 3.39Å; K121-R125 PolarHBondContact O-N 3.46Å; K121-N149 PolarHBondContact NZ-O 2.85Å; K121-D152 PolarHBondContact NZ-O 2.97Å; K121-L153 HydrophobicContact CB-CD2 3.94Å; K121-L153 HydrophobicContact CD-CD2 3.74Å; K121-L153 HydrophobicContact CG-CD2 4.49Å
122A97.5Very high97.2Very high17 Ų1748 Ų4814%0.1424%0.236CC..Hα-helixtrans-65-43.4175.600000112.4Y47 L118 V119 Q120 R125 R126Y47-A122 HydrophobicContact CD1-CB 4.45Å; Y47-A122 HydrophobicContact CD2-CB 4.01Å; Y47-A122 HydrophobicContact CG-CB 3.77Å; L118-A122 WeakPolarHBondContact O-CB 3.29Å; L118-A122 PolarHBondContact O-N 3.12Å; V119-A122 PolarHBondContact O-N 3.35Å; Q120-A122 VanDerWaalsContact C-N 3.35Å; Q120-A122 PolarHBondContact O-N 3.19Å; A122-R125 PolarHBondContact O-N 2.97Å; A122-R126 WeakPolarHBondContact O-CG 3.43Å; A122-R126 PolarHBondContact O-N 3.11Å; A122-R126 VanDerWaalsContact O-N 3.16Å
123K97.2Very high97.3Very high77 Ų7749 Ų4934%0.33523%0.23SC..Hα-helixtrans-62.1-46.1174.8-73.2179.2179.5-178.70111.3Y47 D69 V119 Q120 R126 A127Y47-K123 HydrophobicContact CE1-CG 4.21Å; Y47-K123 WeakPolarHBondContact OH-CE 3.22Å; D69-K123 IonicContact OD2-NZ 3.02Å; V119-K123 HydrophobicContact CG1-CD 4.18Å; V119-K123 WeakPolarHBondContact O-CG 3.35Å; V119-K123 PolarHBondContact O-N 3.42Å; Q120-K123 PolarHBondContact O-N 3.27Å; K123-R126 PolarHBondContact O-N 2.86Å; K123-A127 PolarHBondContact O-N 3.47Å
124Q98Very high97.4Very high11 Ų1151 Ų515%0.05123%0.233CC..Hα-helixtrans-57.3-51.9175.1-179.4-147.328.700111.1Q120 K121 R126 A127 L128 N149 D152 L153 D154Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 PolarHBondContact O-N 2.97Å; K121-Q124 VanDerWaalsContact CD-OE1 3.29Å; K121-Q124 PolarHBondContact O-N 3.27Å; Q124-R126 PolarHBondContact O-N 2.95Å; Q124-A127 WeakPolarHBondContact O-CA 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.44Å; Q124-A127 PolarHBondContact O-N 3.34Å; Q124-L128 HydrophobicContact CG-CD1 4.02Å; Q124-L128 HydrophobicContact CG-CG 4.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 3.46Å; Q124-N149 VanDerWaalsContact NE2-CG 3.28Å; Q124-N149 PolarHBondContact NE2-ND2 3.22Å; Q124-D152 PolarHBondContact NE2-O 3.09Å; Q124-D152 PolarHBondContact OE1-O 3.38Å; Q124-L153 VanDerWaalsContact NE2-CA 3.34Å; Q124-D154 PolarHBondContact NE2-O 3.43Å
125R97.1Very high97.5Very high34 Ų3451.1 Ų51.113%0.12823%0.233CC..Hα-helixtrans-58.4-35.2-178.9-168.2176-66.3-82.9-0.2112.3D92 K121 A122 R129 E150D92-R125 IonicContact OD1-CZ 2.61Å; D92-R125 IonicContact OD1-NH2 2.7Å; D92-R125 PolarHBondContact OD1-NH2 3.19Å; D92-R125 IonicContact OD2-NE 3.37Å; D92-R125 IonicContact OD2-NH2 3.2Å; K121-R125 WeakPolarHBondContact O-CB 3.39Å; K121-R125 PolarHBondContact O-N 3.46Å; A122-R125 PolarHBondContact O-N 2.97Å; R125-R129 VanDerWaalsContact O-CG 3.31Å; R125-R129 WeakPolarHBondContact O-CG 3.26Å; R125-R129 PolarHBondContact O-N 2.99Å; R125-R129 VanDerWaalsContact O-N 3.08Å; R125-E150 IonicContact CZ-OE1 3.17Å; R125-E150 IonicContact CZ-OE2 2.98Å; R125-E150 IonicContact NH1-OE1 2.8Å; R125-E150 PolarHBondContact NH1-OE1 3.01Å; R125-E150 IonicContact NH2-OE1 3.74Å; R125-E150 PolarHBondContact NH2-OE1 3.01Å; R125-E150 IonicContact NH2-OE2 2.68Å; R125-E150 PolarHBondContact NH2-OE2 3.3Å
126R96Very high97.6Very high81 Ų8152.4 Ų52.431%0.30624%0.238SC..Hα-helixtrans-71.1-39.5173.5-70.3177.563.9-141.16.3112.7E46 A122 K123 Q124 R129 R130E46-R126 VanDerWaalsContact CD-NH1 3.32Å; E46-R126 IonicContact OE1-CZ 3.99Å; E46-R126 IonicContact OE1-NH1 3.61Å; E46-R126 PolarHBondContact OE1-NH1 2.97Å; E46-R126 IonicContact OE1-NH2 3.9Å; E46-R126 PolarHBondContact OE1-NH2 3.17Å; A122-R126 WeakPolarHBondContact O-CG 3.43Å; A122-R126 PolarHBondContact O-N 3.11Å; A122-R126 VanDerWaalsContact O-N 3.16Å; K123-R126 PolarHBondContact O-N 2.86Å; Q124-R126 PolarHBondContact O-N 2.95Å; R126-R129 PolarHBondContact O-N 2.96Å; R126-R130 PolarHBondContact O-N 3.39Å; R126-R130 VanDerWaalsContact O-N 3.11Å
127A97.6Very high97.6Very high21 Ų2152.1 Ų52.117%0.17425%0.249CC..Hα-helixtrans-61.6-45.3173.600000111.6K123 Q124 R129 R130 W131 P156K123-A127 PolarHBondContact O-N 3.47Å; Q124-A127 WeakPolarHBondContact O-CA 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.44Å; Q124-A127 PolarHBondContact O-N 3.34Å; A127-R129 PolarHBondContact O-N 3.03Å; A127-R130 PolarHBondContact O-N 3.4Å; A127-W131 PolarHBondContact O-N 2.69Å; A127-P156 HydrophobicContact CB-CG 4.16Å
128L98.2Very high97.6Very high8 Ų855.8 Ų55.84%0.04227%0.265CS..Hα-helixtrans-62.5-40.2176.7-64.4173.9000112.4Q124 R130 W131 E132 V147 N149 P156 W256Q124-L128 HydrophobicContact CG-CD1 4.02Å; Q124-L128 HydrophobicContact CG-CG 4.35Å; Q124-L128 WeakPolarHBondContact O-CG 3.39Å; Q124-L128 PolarHBondContact O-N 3.46Å; L128-R130 PolarHBondContact O-N 2.88Å; L128-W131 HydrophobicContact CD2-CE3 4.1Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 PolarHBondContact O-N 2.92Å; L128-E132 WeakPolarHBondContact O-CB 3.44Å; L128-E132 PolarHBondContact O-N 2.86Å; L128-V147 HydrophobicContact CB-CG1 4.21Å; L128-V147 HydrophobicContact CD2-CG1 3.85Å; L128-V147 HydrophobicContact CG-CG1 4.48Å; L128-N149 HydrophobicContact CD1-CB 3.6Å; L128-P156 HydrophobicContact CD2-CG 4.12Å; L128-W256 HydrophobicContact CD1-CH2 4.41Å; L128-W256 HydrophobicContact CD2-CH2 3.67Å; L128-W256 HydrophobicContact CD2-CZ2 4.14Å
129R97.4Very high97.6Very high118 Ų11858.4 Ų58.445%0.44528%0.275SS..Hα-helixtrans-62.7-38.7174.3-76.5176.4-173.9173.25.8113.3R125 R126 A127 Q133R125-R129 VanDerWaalsContact O-CG 3.31Å; R125-R129 WeakPolarHBondContact O-CG 3.26Å; R125-R129 PolarHBondContact O-N 2.99Å; R125-R129 VanDerWaalsContact O-N 3.08Å; R126-R129 PolarHBondContact O-N 2.96Å; A127-R129 PolarHBondContact O-N 3.03Å; R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.25Å; R129-Q133 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-N 3.12Å
130R97.2Very high97.5Very high153 Ų15361.9 Ų61.958%0.57730%0.3SS*.Hα-helixtrans-65.1-44.4174.8-73-173.7-64.7-176.42110.7R126 A127 L128 E132 Q133 E134R126-R130 PolarHBondContact O-N 3.39Å; R126-R130 VanDerWaalsContact O-N 3.11Å; A127-R130 PolarHBondContact O-N 3.4Å; L128-R130 PolarHBondContact O-N 2.88Å; R130-E132 PolarHBondContact O-N 2.77Å; R130-Q133 WeakPolarHBondContact O-CB 3.45Å; R130-Q133 PolarHBondContact O-N 2.87Å; R130-E134 WeakPolarHBondContact O-CG 3.42Å; R130-E134 PolarHBondContact O-N 2.7Å
131W98.1Very high97.5Very high15 Ų1559 Ų596%0.05729%0.286CS..Hα-helixtrans-62.4-43.5177.1-177.741.5000112.3A127 L128 Q133 E134 L135 V147 P156 P157 I247 F321A127-W131 PolarHBondContact O-N 2.69Å; L128-W131 HydrophobicContact CD2-CE3 4.1Å; L128-W131 HydrophobicContact CD2-CZ3 4.47Å; L128-W131 PolarHBondContact O-N 2.92Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 3.33Å; W131-E134 WeakPolarHBondContact O-CB 3.4Å; W131-E134 PolarHBondContact O-N 2.69Å; W131-E134 VanDerWaalsContact O-N 3.12Å; W131-L135 HydrophobicContact CD2-CD1 4.11Å; W131-L135 HydrophobicContact CG-CD1 4.42Å; W131-L135 HydrophobicContact CZ2-CD1 4Å; W131-L135 WeakPolarHBondContact O-CG 3.35Å; W131-L135 PolarHBondContact O-N 2.88Å; W131-V147 HydrophobicContact CD2-CG2 4.42Å; W131-V147 HydrophobicContact CE3-CB 4.36Å; W131-V147 HydrophobicContact CE3-CG1 3.61Å; W131-V147 HydrophobicContact CE3-CG2 3.93Å; W131-V147 HydrophobicContact CZ3-CG1 3.55Å; W131-V147 HydrophobicContact CZ3-CG2 4.1Å; W131-P156 HydrophobicContact CB-CB 3.85Å; W131-P156 HydrophobicContact CB-CG 3.57Å; W131-P156 HydrophobicContact CD2-CB 3.78Å; W131-P156 HydrophobicContact CD2-CG 4.23Å; W131-P156 HydrophobicContact CE3-CB 3.9Å; W131-P156 HydrophobicContact CE3-CG 4.14Å; W131-P156 HydrophobicContact CG-CB 3.74Å; W131-P156 HydrophobicContact CG-CG 4.01Å; W131-P157 VanDerWaalsContact CH2-CD 3.46Å; W131-P157 HydrophobicContact CH2-CG 3.99Å; W131-P157 VanDerWaalsContact CZ2-CD 3.46Å; W131-P157 HydrophobicContact CZ2-CG 3.65Å; W131-I247 HydrophobicContact CH2-CD1 4.06Å; W131-I247 HydrophobicContact CH2-CG2 4.08Å; W131-I247 HydrophobicContact CZ2-CD1 4.27Å; W131-I247 HydrophobicContact CZ3-CG2 4.4Å; W131-F321 AromaticContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE2 4.35Å; W131-F321 AromaticContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CZ2-CE1 4.26Å; W131-F321 HydrophobicContact CZ2-CE2 4.14Å; W131-F321 AromaticContact CZ2-CZ 3.58Å; W131-F321 HydrophobicContact CZ2-CZ 3.58Å
132E98.6Very high97.5Very high56 Ų5664.5 Ų64.526%0.26232%0.315SS..Hα-helixtrans-55.4-44.4172.7-175.9-178.4105.300112.1L128 R130 L135 N136 I145 T146 V147L128-E132 WeakPolarHBondContact O-CB 3.44Å; L128-E132 PolarHBondContact O-N 2.86Å; R130-E132 PolarHBondContact O-N 2.77Å; E132-L135 PolarHBondContact O-N 3.36Å; E132-N136 PolarHBondContact O-N 2.95Å; E132-N136 PolarHBondContact O-ND2 3.44Å; E132-I145 WeakPolarHBondContact CG-O 3.38Å; E132-T146 WeakPolarHBondContact OE2-CA 3.31Å; E132-V147 HydrophobicContact CB-CB 4.25Å; E132-V147 HydrophobicContact CB-CG2 3.96Å; E132-V147 HydrophobicContact CG-CG2 4.4Å; E132-V147 PolarHBondContact OE2-N 3.49Å
133Q98Very high97.5Very high133 Ų13363.7 Ų63.762%0.62131%0.309SS*.Hα-helixtrans-63-42.5176.5-71.3168.4-9.800111.7R129 R130 W131 N136 A137R129-Q133 VanDerWaalsContact O-CG 3.29Å; R129-Q133 WeakPolarHBondContact O-CG 3.25Å; R129-Q133 PolarHBondContact O-N 2.8Å; R129-Q133 VanDerWaalsContact O-N 3.12Å; R130-Q133 WeakPolarHBondContact O-CB 3.45Å; R130-Q133 PolarHBondContact O-N 2.87Å; W131-Q133 VanDerWaalsContact C-N 3.3Å; W131-Q133 PolarHBondContact O-N 3.33Å; Q133-N136 PolarHBondContact O-N 2.89Å; Q133-A137 VanDerWaalsContact O-CB 3.3Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.43Å
134E97.2Very high97.5Very high109 Ų10966.8 Ų66.851%0.50932%0.319SS..Hα-helixtrans-63.6-43.2176.7-70.8168.5-162.600112.1R130 W131 A137 K138R130-E134 WeakPolarHBondContact O-CG 3.42Å; R130-E134 PolarHBondContact O-N 2.7Å; W131-E134 WeakPolarHBondContact O-CB 3.4Å; W131-E134 PolarHBondContact O-N 2.69Å; W131-E134 VanDerWaalsContact O-N 3.12Å; E134-A137 PolarHBondContact O-N 2.99Å; E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3Å; E134-K138 VanDerWaalsContact O-N 3.09Å
135L98.2Very high97.6Very high3 Ų366.3 Ų66.32%0.01632%0.316CS..Hα-helixtrans-60.3-49.2175.8-67.8172.8000111.1W131 E132 A137 K138 R139 I145 V147 F160 Y162 I247W131-L135 HydrophobicContact CD2-CD1 4.11Å; W131-L135 HydrophobicContact CG-CD1 4.42Å; W131-L135 HydrophobicContact CZ2-CD1 4Å; W131-L135 WeakPolarHBondContact O-CG 3.35Å; W131-L135 PolarHBondContact O-N 2.88Å; E132-L135 PolarHBondContact O-N 3.36Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.06Å; L135-K138 PolarHBondContact O-N 2.68Å; L135-R139 PolarHBondContact O-N 2.99Å; L135-I145 HydrophobicContact CB-CB 4.5Å; L135-I145 HydrophobicContact CB-CG2 4.43Å; L135-I145 HydrophobicContact CD1-CG2 3.87Å; L135-V147 HydrophobicContact CD1-CG2 3.78Å; L135-F160 HydrophobicContact CD2-CE1 4.32Å; L135-Y162 HydrophobicContact CD2-CD2 3.48Å; L135-Y162 VanDerWaalsContact CD2-CD2 3.48Å; L135-Y162 HydrophobicContact CD2-CE2 4.27Å; L135-Y162 HydrophobicContact CD2-CG 3.92Å; L135-I247 HydrophobicContact CD1-CD1 3.83Å
136N98.4Very high97.6Very high39 Ų3966 Ų6621%0.20932%0.318CS..Hα-helixtrans-70.7-22.9-179.4-74.3-76.9000113.8E132 Q133 R139 I145E132-N136 PolarHBondContact O-N 2.95Å; E132-N136 PolarHBondContact O-ND2 3.44Å; Q133-N136 PolarHBondContact O-N 2.89Å; N136-R139 PolarHBondContact O-NE 2.74Å; N136-R139 PolarHBondContact OD1-NE 2.86Å; N136-I145 PolarHBondContact ND2-O 2.81Å; N136-I145 PolarHBondContact OD1-N 2.98Å
137A97.7Very high97.8Very high86 Ų8662.8 Ų62.871%0.71131%0.307SS*.Hα-helixtrans-77.5-27.7172.400000112.5Q133 E134 L135Q133-A137 VanDerWaalsContact O-CB 3.3Å; Q133-A137 WeakPolarHBondContact O-CB 3.44Å; Q133-A137 PolarHBondContact O-N 3.43Å; E134-A137 PolarHBondContact O-N 2.99Å; L135-A137 VanDerWaalsContact C-N 3.29Å; L135-A137 PolarHBondContact O-N 3.06Å
138K97.1Very high97.7Very high101 Ų10165.5 Ų65.544%0.43932%0.317SS..Hα-helixtrans-89.4-28.3-179.7-73.6-179.6178.3-177.20114.2E134 L135 Y162 N164E134-K138 WeakPolarHBondContact O-CG 3.4Å; E134-K138 PolarHBondContact O-N 3Å; E134-K138 VanDerWaalsContact O-N 3.09Å; L135-K138 PolarHBondContact O-N 2.68Å; K138-Y162 HydrophobicContact CB-CD1 4.11Å; K138-N164 PolarHBondContact O-ND2 3.39Å
139R96.9Very high97.7Very high58 Ų5865.3 Ų65.322%0.21932%0.315CS..  trans-62.8141.8-178.171.8-173.7173.2120.55.8112.4L135 N136 H141 L142 G143 Y162 N164L135-R139 PolarHBondContact O-N 2.99Å; N136-R139 PolarHBondContact O-NE 2.74Å; N136-R139 PolarHBondContact OD1-NE 2.86Å; R139-H141 PolarHBondContact NH1-O 3.04Å; R139-L142 PolarHBondContact NH1-O 2.91Å; R139-G143 PolarHBondContact NH1-O 3.01Å; R139-Y162 HydrophobicContact CB-CE1 4.11Å; R139-N164 VanDerWaalsContact CA-OD1 3.31Å; R139-N164 WeakPolarHBondContact CA-OD1 3.4Å
140S96.4Very high97.6Very high94 Ų9462.2 Ų62.266%0.65731%0.306SS*.  trans-99.1-8.4173.761.90000113.8N164S140-N164 PolarHBondContact N-OD1 2.92Å; S140-N164 WeakPolarHBondContact OG-CB 3.2Å; S140-N164 VanDerWaalsContact OG-CG 3.28Å; S140-N164 PolarHBondContact OG-OD1 2.7Å
141H97.2Very high97.5Very high22 Ų2257.4 Ų57.410%0.10229%0.294CS..SBendtrans-98.4164.7-176.560.372.8000113.1R139 G143 Y162 I241R139-H141 PolarHBondContact NH1-O 3.04Å; H141-G143 PolarHBondContact CE1-O 3.33Å; H141-G143 PolarHBondContact ND1-O 3.36Å; H141-Y162 PolarHBondContact NE2-OH 2.84Å; H141-I241 HydrophobicContact CB-CB 4.18Å; H141-I241 WeakPolarHBondContact CB-O 3.45Å
142L96.9Very high97.4Very high118 Ų11858.4 Ų58.462%0.61830%0.3SS*.SBendtrans-73.9-38.4-172.7-64.3-177.4000113.9R139 I241R139-L142 PolarHBondContact NH1-O 2.91Å; L142-I241 PolarHBondContact N-O 3.06Å
143G97.6Very high97.3Very high1 Ų159 Ų591%0.0131%0.305CS..SBendtrans-69.8125.7-174.500000113.7R139 H141 I241 Y243R139-G143 PolarHBondContact NH1-O 3.01Å; H141-G143 PolarHBondContact CE1-O 3.33Å; H141-G143 PolarHBondContact ND1-O 3.36Å; G143-I241 PolarHBondContact N-O 2.77Å; G143-Y243 CarbonylContact C-O 3.58Å; G143-Y243 WeakPolarHBondContact CA-O 3.42Å
144R98.3Very high97.2Very high142 Ų14256.3 Ų56.354%0.53630%0.295SS..  trans-70.3152.1-175.4-64.4-177.6-66.2-178.11.7111.5D244 L245R144-D244 VanDerWaalsContact CB-OD1 3.25Å; R144-D244 WeakPolarHBondContact CB-OD1 3.34Å; R144-D244 WeakPolarHBondContact CG-OD1 3.43Å; R144-D244 IonicContact CZ-OD2 3.27Å; R144-D244 PolarHBondContact N-OD1 3.34Å; R144-D244 IonicContact NE-OD1 3.34Å; R144-D244 IonicContact NE-OD2 2.72Å; R144-D244 PolarHBondContact NE-OD2 3.07Å; R144-D244 IonicContact NH2-OD2 2.67Å; R144-D244 PolarHBondContact NH2-OD2 3.49Å; R144-D244 CarbonylContact O-C 3.45Å; R144-D244 WeakPolarHBondContact O-CA 3.49Å; R144-L245 PolarHBondContact O-N 2.67Å
145I98.7Very high97.2Very high1 Ų152.5 Ų52.51%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-113.2111.8174.7-56.8175.3000108.2E132 L135 N136 Y162 L245 I247 I318E132-I145 WeakPolarHBondContact CG-O 3.38Å; L135-I145 HydrophobicContact CB-CB 4.5Å; L135-I145 HydrophobicContact CB-CG2 4.43Å; L135-I145 HydrophobicContact CD1-CG2 3.87Å; N136-I145 PolarHBondContact ND2-O 2.81Å; N136-I145 PolarHBondContact OD1-N 2.98Å; I145-Y162 HydrophobicContact CD1-CE2 3.69Å; I145-Y162 WeakPolarHBondContact CD1-OH 3.18Å; I145-L245 CarbonylContact C-O 3.57Å; I145-L245 WeakPolarHBondContact CA-O 3.16Å; I145-I247 HydrophobicContact CG2-CD1 3.88Å; I145-I247 HydrophobicContact CG2-CG1 4.17Å; I145-I318 HydrophobicContact CD1-CB 4.41Å; I145-I318 HydrophobicContact CD1-CD1 4.34Å; I145-I318 HydrophobicContact CG1-CD1 4.08Å; I145-I318 HydrophobicContact CG2-CD1 3.87Å
146T98.6Very high97.1Very high28 Ų2854.2 Ų54.217%0.17230%0.295CS..EExtended strand (participates in β ladder)trans-98.4156.8172.4610000110.9E132 L245 C246 I247 L261E132-T146 WeakPolarHBondContact OE2-CA 3.31Å; T146-L245 PolarHBondContact N-O 3.46Å; T146-L245 PolarHBondContact OG1-O 3.42Å; T146-C246 CarbonylContact O-C 3.57Å; T146-C246 WeakPolarHBondContact O-CA 3.28Å; T146-C246 WeakPolarHBondContact OG1-CA 3.34Å; T146-C246 WeakPolarHBondContact OG1-CB 3.35Å; T146-C246 PolarHBondContact OG1-SG 2.82Å; T146-C246 VanDerWaalsContact OG1-SG 3.36Å; T146-I247 PolarHBondContact O-N 3.02Å; T146-L261 HydrophobicContact CG2-CD1 4.16Å
147V98.7Very high96.9Very high12 Ų1254.3 Ų54.37%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-127.7123.7178.5-176.20000111L128 W131 E132 L135 I247 W256L128-V147 HydrophobicContact CB-CG1 4.21Å; L128-V147 HydrophobicContact CD2-CG1 3.85Å; L128-V147 HydrophobicContact CG-CG1 4.48Å; W131-V147 HydrophobicContact CD2-CG2 4.42Å; W131-V147 HydrophobicContact CE3-CB 4.36Å; W131-V147 HydrophobicContact CE3-CG1 3.61Å; W131-V147 HydrophobicContact CE3-CG2 3.93Å; W131-V147 HydrophobicContact CZ3-CG1 3.55Å; W131-V147 HydrophobicContact CZ3-CG2 4.1Å; E132-V147 HydrophobicContact CB-CB 4.25Å; E132-V147 HydrophobicContact CB-CG2 3.96Å; E132-V147 HydrophobicContact CG-CG2 4.4Å; E132-V147 PolarHBondContact OE2-N 3.49Å; L135-V147 HydrophobicContact CD1-CG2 3.78Å; V147-I247 WeakPolarHBondContact CA-O 3.43Å; V147-I247 HydrophobicContact CG2-CB 4.46Å; V147-W256 HydrophobicContact CG1-CH2 4.36Å; V147-W256 HydrophobicContact CG1-CZ3 4.2Å
148E97.6Very high96.4Very high79 Ų7962.4 Ų62.437%0.36931%0.311SS..EExtended strand (participates in β ladder)trans-131.8128.8-178.9-67.2-173.3-169.400112.9I247 F248 R249 R259E148-I247 PolarHBondContact N-O 3.5Å; E148-F248 CarbonylContact O-C 2.99Å; E148-F248 VanDerWaalsContact O-CA 3.22Å; E148-F248 WeakPolarHBondContact O-CA 3.45Å; E148-R249 PolarHBondContact O-N 2.82Å; E148-R259 IonicContact OE1-NH2 2.77Å; E148-R259 IonicContact OE2-CZ 3.7Å; E148-R259 IonicContact OE2-NH2 3.98Å; E148-R259 PolarHBondContact OE2-NH2 2.78Å
149N97.9Very high96Very high3 Ų360.4 Ų60.42%0.01631%0.313CS..  trans-132.2111.9167-172.6-19000110.3K121 Q124 L128 V151 D152 D154 R249 W256K121-N149 PolarHBondContact NZ-O 2.85Å; Q124-N149 VanDerWaalsContact NE2-CG 3.28Å; Q124-N149 PolarHBondContact NE2-ND2 3.22Å; L128-N149 HydrophobicContact CD1-CB 3.6Å; N149-V151 PolarHBondContact OD1-N 3.19Å; N149-D152 PolarHBondContact ND2-OD1 2.88Å; N149-D152 PolarHBondContact OD1-N 3.12Å; N149-D152 VanDerWaalsContact OD1-N 3.1Å; N149-D152 PolarHBondContact OD1-O 3.36Å; N149-D152 PolarHBondContact OD1-OD1 3.28Å; N149-D154 PolarHBondContact ND2-O 2.77Å; N149-R249 HydrophobicContact CB-CB 3.94Å; N149-R249 VanDerWaalsContact CG-CB 3.41Å; N149-R249 WeakPolarHBondContact OD1-CB 3.48Å; N149-W256 HydrophobicContact CB-CH2 3.74Å; N149-W256 HydrophobicContact CB-CZ3 4.08Å
150E95.4Very high95.9Very high54 Ų5458.9 Ų58.925%0.25231%0.308SS..  trans-1206.7-179.5-68.3-53.8173.400112.7R95 R125R95-E150 IonicContact CZ-OE2 3.83Å; R95-E150 IonicContact NH1-OE1 3.67Å; R95-E150 IonicContact NH1-OE2 2.95Å; R95-E150 PolarHBondContact NH1-OE2 2.61Å; R125-E150 IonicContact CZ-OE1 3.17Å; R125-E150 IonicContact CZ-OE2 2.98Å; R125-E150 IonicContact NH1-OE1 2.8Å; R125-E150 PolarHBondContact NH1-OE1 3.01Å; R125-E150 IonicContact NH2-OE1 3.74Å; R125-E150 PolarHBondContact NH2-OE1 3.01Å; R125-E150 IonicContact NH2-OE2 2.68Å; R125-E150 PolarHBondContact NH2-OE2 3.3Å
151V94.9Very high95.9Very high52 Ų5256.3 Ų56.332%0.31529%0.288SS..SBendtrans-102.6-49.8-173.4177.60000111N149 R249 D251N149-V151 PolarHBondContact OD1-N 3.19Å; V151-R249 HydrophobicContact CB-CB 4.31Å; V151-R249 HydrophobicContact CB-CG 3.91Å; V151-R249 HydrophobicContact CG2-CB 4.26Å; V151-R249 HydrophobicContact CG2-CG 4.27Å; V151-R249 VanDerWaalsContact CG2-O 3.32Å; V151-R249 WeakPolarHBondContact CG2-O 3.45Å; V151-D251 HydrophobicContact CG1-CB 4.2Å; V151-D251 HydrophobicContact CG2-CB 3.95Å
152D95Very high95.9Very high35 Ų3555.8 Ų55.819%0.18729%0.285CS..SBendtrans-139.9-164.2-173.765.228.2000111.8K121 Q124 N149 D154 R249K121-D152 PolarHBondContact NZ-O 2.97Å; Q124-D152 PolarHBondContact NE2-O 3.09Å; Q124-D152 PolarHBondContact OE1-O 3.38Å; N149-D152 PolarHBondContact ND2-OD1 2.88Å; N149-D152 PolarHBondContact OD1-N 3.12Å; N149-D152 VanDerWaalsContact OD1-N 3.1Å; N149-D152 PolarHBondContact OD1-O 3.36Å; N149-D152 PolarHBondContact OD1-OD1 3.28Å; D152-D154 WeakPolarHBondContact OD1-CB 3.46Å; D152-D154 PolarHBondContact OD1-N 3.38Å; D152-R249 IonicContact OD1-NE 2.67Å; D152-R249 IonicContact OD2-CZ 2.71Å; D152-R249 VanDerWaalsContact OD2-CZ 3.24Å; D152-R249 IonicContact OD2-NE 2.81Å; D152-R249 PolarHBondContact OD2-NE 3.05Å; D152-R249 IonicContact OD2-NH2 3.13Å; D152-R249 PolarHBondContact OD2-NH2 3.31Å
153L97Very high96Very high69 Ų6951.6 Ų51.636%0.36126%0.263SS..  trans-102.79.7-178.9-66.8178.5000113.5Y117 Q120 K121 Q124 G155Y117-L153 HydrophobicContact CD2-CD1 3.99Å; Y117-L153 HydrophobicContact CD2-CD2 4.36Å; Y117-L153 HydrophobicContact CD2-CG 4.39Å; Y117-L153 HydrophobicContact CE2-CD1 4.14Å; Y117-L153 HydrophobicContact CE2-CD2 3.96Å; Y117-L153 HydrophobicContact CE2-CG 4.05Å; Q120-L153 HydrophobicContact CB-CD1 3.88Å; Q120-L153 HydrophobicContact CB-CD2 4.2Å; K121-L153 HydrophobicContact CB-CD2 3.94Å; K121-L153 HydrophobicContact CD-CD2 3.74Å; K121-L153 HydrophobicContact CG-CD2 4.49Å; Q124-L153 VanDerWaalsContact NE2-CA 3.34Å; L153-G155 PolarHBondContact O-N 3.1Å
154D96.6Very high95.9Very high77 Ų7753.7 Ų53.741%0.41227%0.274SS..  trans-66.3128.7179.7-86.49000111.3Q124 N149 D152 R249Q124-D154 PolarHBondContact NE2-O 3.43Å; N149-D154 PolarHBondContact ND2-O 2.77Å; D152-D154 WeakPolarHBondContact OD1-CB 3.46Å; D152-D154 PolarHBondContact OD1-N 3.38Å; D154-R249 IonicContact OD2-CZ 3.87Å; D154-R249 IonicContact OD2-NH1 3.72Å; D154-R249 PolarHBondContact OD2-NH1 2.86Å; D154-R249 IonicContact OD2-NH2 3.84Å; D154-R249 PolarHBondContact OD2-NH2 2.86Å
155G96.9Very high95.8Very high28 Ų2853.8 Ų53.829%0.28928%0.281SS..  trans-91.6-168.1178.200000113L153 W256L153-G155 PolarHBondContact O-N 3.1Å; G155-W256 WeakPolarHBondContact O-CZ2 3.23Å
156P96.3Very high95.7Very high39 Ų3955.6 Ų55.625%0.25329%0.288SS..SBendtrans-52.7144.8172.5-25.635.1000112.4A127 L128 W131 R158A127-P156 HydrophobicContact CB-CG 4.16Å; L128-P156 HydrophobicContact CD2-CG 4.12Å; W131-P156 HydrophobicContact CB-CB 3.85Å; W131-P156 HydrophobicContact CB-CG 3.57Å; W131-P156 HydrophobicContact CD2-CB 3.78Å; W131-P156 HydrophobicContact CD2-CG 4.23Å; W131-P156 HydrophobicContact CE3-CB 3.9Å; W131-P156 HydrophobicContact CE3-CG 4.14Å; W131-P156 HydrophobicContact CG-CB 3.74Å; W131-P156 HydrophobicContact CG-CG 4.01Å; P156-R158 PolarHBondContact O-N 2.87Å
157P93.1Very high95.5Very high41 Ų4159.5 Ų59.527%0.26630%0.299SS..  trans-58.7135.2173.225.3-33.3000110.4W131 F160 F321W131-P157 VanDerWaalsContact CH2-CD 3.46Å; W131-P157 HydrophobicContact CH2-CG 3.99Å; W131-P157 VanDerWaalsContact CZ2-CD 3.46Å; W131-P157 HydrophobicContact CZ2-CG 3.65Å; P157-F160 HydrophobicContact CB-CB 4.04Å; P157-F160 HydrophobicContact CG-CB 3.83Å; P157-F160 HydrophobicContact CG-CD1 4.37Å; P157-F160 HydrophobicContact CG-CG 4.32Å; P157-F321 HydrophobicContact CG-CE1 4.24Å; P157-F321 HydrophobicContact CG-CZ 4.12Å
158R86.8Confident95.3Very high257 Ų25761.4 Ų61.497%0.9731%0.311SS*.THydrogen-bonded Turntrans-74.5-26-173.1-66.5-176.9-178.4179.81.9113.9P156P156-R158 PolarHBondContact O-N 2.87Å
159A89Confident95Very high59 Ų5958.3 Ų58.349%0.48830%0.3SS..THydrogen-bonded Turntrans-133.860.2-171.300000110.8Y314A159-Y314 HydrophobicContact CB-CD2 4.07Å; A159-Y314 HydrophobicContact CB-CE2 4.06Å
160F94.6Very high94.6Very high26 Ų2667.6 Ų67.611%0.11434%0.343CS..  trans-137.3131.7178.8174.8-100000110.6L135 P157 Y162 Y314 G316 H320 F321L135-F160 HydrophobicContact CD2-CE1 4.32Å; P157-F160 HydrophobicContact CB-CB 4.04Å; P157-F160 HydrophobicContact CG-CB 3.83Å; P157-F160 HydrophobicContact CG-CD1 4.37Å; P157-F160 HydrophobicContact CG-CG 4.32Å; F160-Y162 HydrophobicContact CE1-CD2 4.15Å; F160-Y162 HydrophobicContact CZ-CD2 4.25Å; F160-Y314 CarbonylContact C-O 3.54Å; F160-Y314 WeakPolarHBondContact CA-O 3.32Å; F160-G316 WeakPolarHBondContact CZ-O 3.43Å; F160-H320 AromaticContact CD2-CE1 3.99Å; F160-H320 AromaticContact CD2-ND1 3.95Å; F160-H320 HydrophobicContact CE2-CB 3.81Å; F160-H320 AromaticContact CE2-CG 3.63Å; F160-H320 AromaticContact CE2-ND1 3.85Å; F160-H320 HydrophobicContact CZ-CB 4.35Å; F160-F321 HydrophobicContact CD1-CE2 4.47Å; F160-F321 HydrophobicContact CD1-CZ 4.13Å; F160-F321 AromaticContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CZ 4.01Å; F160-F321 HydrophobicContact CE2-CE2 4.32Å; F160-F321 HydrophobicContact CE2-CZ 4.41Å; F160-F321 HydrophobicContact CG-CZ 4.38Å; F160-F321 AromaticContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CZ 4.16Å
161V96.6Very high94.4Very high40 Ų4068.8 Ų68.824%0.24237%0.37CS..EExtended strand (participates in β ladder)trans-121.9114.5178.9-179.60000108.9I163 Y314 Y315 G316V161-I163 PolarHBondContact O-N 2.82Å; V161-Y314 HydrophobicContact CB-CE1 4.35Å; V161-Y314 HydrophobicContact CG2-CD1 4.1Å; V161-Y314 HydrophobicContact CG2-CE1 3.5Å; V161-Y314 PolarHBondContact N-O 2.83Å; V161-Y315 HydrophobicContact CB-CD1 3.79Å; V161-Y315 HydrophobicContact CB-CE1 3.98Å; V161-Y315 HydrophobicContact CG1-CD1 3.97Å; V161-Y315 HydrophobicContact CG1-CE1 4.07Å; V161-Y315 HydrophobicContact CG2-CD1 4.49Å; V161-Y315 HydrophobicContact CG2-CE1 4.23Å; V161-Y315 WeakPolarHBondContact O-CA 3.46Å; V161-G316 PolarHBondContact O-N 2.74Å; V161-G316 VanDerWaalsContact O-N 3.14Å
162Y97.8Very high94.2Very high11 Ų1167 Ų674%0.04336%0.359CS..EExtended strand (participates in β ladder)trans-66.1125.9176.2-163.3-88000111.6L135 K138 R139 H141 I145 F160 G316 N317 I318L135-Y162 HydrophobicContact CD2-CD2 3.48Å; L135-Y162 VanDerWaalsContact CD2-CD2 3.48Å; L135-Y162 HydrophobicContact CD2-CE2 4.27Å; L135-Y162 HydrophobicContact CD2-CG 3.92Å; K138-Y162 HydrophobicContact CB-CD1 4.11Å; R139-Y162 HydrophobicContact CB-CE1 4.11Å; H141-Y162 PolarHBondContact NE2-OH 2.84Å; I145-Y162 HydrophobicContact CD1-CE2 3.69Å; I145-Y162 WeakPolarHBondContact CD1-OH 3.18Å; F160-Y162 HydrophobicContact CE1-CD2 4.15Å; F160-Y162 HydrophobicContact CZ-CD2 4.25Å; Y162-G316 CarbonylContact C-O 3.45Å; Y162-G316 VanDerWaalsContact CA-O 3.23Å; Y162-G316 WeakPolarHBondContact CA-O 3.37Å; Y162-N317 HydrophobicContact CE2-CB 4.12Å; Y162-I318 HydrophobicContact CE2-CB 4.37Å
163I97.8Very high93.9Very high29 Ų2969.8 Ų69.815%0.14938%0.377CS..  trans-127.4156174.256167000110.2V161 E165 R167 V274 Y315 G316 N317V161-I163 PolarHBondContact O-N 2.82Å; I163-E165 WeakPolarHBondContact CD1-O 3.37Å; I163-R167 HydrophobicContact CD1-CB 4.37Å; I163-V274 HydrophobicContact CD1-CG1 3.71Å; I163-V274 HydrophobicContact CG1-CG1 3.91Å; I163-Y315 HydrophobicContact CG2-CD1 4.16Å; I163-G316 PolarHBondContact N-O 3.19Å; I163-N317 VanDerWaalsContact O-CB 3.25Å; I163-N317 WeakPolarHBondContact O-CB 3.27Å
164N97.4Very high93.5Very high46 Ų4669.9 Ų69.925%0.24638%0.378CS..SBendtrans-103.9-22-177.7-63.1-74.6000113.6K138 R139 S140K138-N164 PolarHBondContact O-ND2 3.39Å; R139-N164 VanDerWaalsContact CA-OD1 3.31Å; R139-N164 WeakPolarHBondContact CA-OD1 3.4Å; S140-N164 PolarHBondContact N-OD1 2.92Å; S140-N164 WeakPolarHBondContact OG-CB 3.2Å; S140-N164 VanDerWaalsContact OG-CG 3.28Å; S140-N164 PolarHBondContact OG-OD1 2.7Å
165E95.4Very high93.1Very high143 Ų14370.9 Ų70.967%0.66838%0.383SS*.SBendtrans-138.7163.1-176.2-63.9179.5178.900108I163 R167 V274I163-E165 WeakPolarHBondContact CD1-O 3.37Å; E165-R167 PolarHBondContact O-N 3.49Å; E165-V274 VanDerWaalsContact O-CG1 3.29Å; E165-V274 WeakPolarHBondContact O-CG1 3.36Å
166Y95.9Very high92.8Very high40 Ų4076.3 Ų76.316%0.15740%0.401CS..  trans-55.2138.4179.5-71.4-46.4000112.4Y273 V274 I277 V310 R346 I347Y166-Y273 VanDerWaalsContact CE1-O 3.24Å; Y166-Y273 WeakPolarHBondContact CE1-O 3.28Å; Y166-Y273 PolarHBondContact OH-O 3.09Å; Y166-Y273 VanDerWaalsContact OH-O 3.09Å; Y166-V274 HydrophobicContact CD1-CG1 4.14Å; Y166-I277 HydrophobicContact CD1-CD1 4.34Å; Y166-I277 HydrophobicContact CD1-CG1 4.04Å; Y166-I277 HydrophobicContact CD2-CD1 3.69Å; Y166-I277 HydrophobicContact CD2-CG1 4.29Å; Y166-I277 HydrophobicContact CE2-CD1 4.39Å; Y166-I277 HydrophobicContact CG-CD1 3.69Å; Y166-I277 HydrophobicContact CG-CG1 3.85Å; Y166-V310 HydrophobicContact CD1-CG1 4.33Å; Y166-V310 HydrophobicContact CD1-CG2 4.35Å; Y166-V310 HydrophobicContact CE1-CB 4.46Å; Y166-V310 HydrophobicContact CE1-CG1 3.88Å; Y166-V310 HydrophobicContact CE1-CG2 3.66Å; Y166-R346 HydrophobicContact CE2-CB 4.4Å; Y166-R346 HydrophobicContact CE2-CG 4.02Å; Y166-I347 PolarHBondContact OH-N 3.33Å
167R95.7Very high92.6Very high109 Ų10975 Ų7541%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-91.6115.7163.6-175.3-178.3-176.9-167.2-0.7108.2I163 E165 G169 G275 E276 I277 Y315I163-R167 HydrophobicContact CD1-CB 4.37Å; E165-R167 PolarHBondContact O-N 3.49Å; R167-G169 PolarHBondContact O-N 2.85Å; R167-G275 PolarHBondContact N-O 3.02Å; R167-E276 HydrophobicContact CB-CB 4.48Å; R167-E276 IonicContact NH1-OE1 2.69Å; R167-E276 CarbonylContact O-C 3.59Å; R167-E276 VanDerWaalsContact O-CA 3.23Å; R167-E276 WeakPolarHBondContact O-CA 3.39Å; R167-I277 PolarHBondContact O-N 3.05Å; R167-Y315 PolarHBondContact NH1-OH 3.48Å
168V93.7Very high92.5Very high53 Ų5377.4 Ų77.432%0.32142%0.415SS..EExtended strand (participates in β ladder)trans-77.4124.9179.9-173.20000109.7I172 L174V168-I172 HydrophobicContact CG1-CB 3.58Å; V168-I172 HydrophobicContact CG1-CG2 3.76Å; V168-I172 WeakPolarHBondContact CG1-O 3.2Å; V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.87Å
169G92Very high92.7Very high14 Ų1470.2 Ų70.214%0.14440%0.4CS..PPolyproline II helixtrans-71.2173.3175.400000113.2R167 G171 I172 I277R167-G169 PolarHBondContact O-N 2.85Å; G169-G171 PolarHBondContact O-N 3.45Å; G169-I172 PolarHBondContact O-N 3.1Å; G169-I277 WeakPolarHBondContact CA-O 3.19Å; G169-I277 PolarHBondContact N-O 3.46Å
170E89.6Confident93Very high197 Ų19768.7 Ų68.792%0.92139%0.39SS*.THydrogen-bonded Turntrans-61.9135.2-177.6-170.5171.6-176.200111.9I172E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.08Å
171G89.2Confident93.1Very high79 Ų7968.1 Ų68.181%0.81439%0.389SS*.THydrogen-bonded Turntrans79.7-5.8178.200000115.9G169G169-G171 PolarHBondContact O-N 3.45Å
172I91.2Very high93Very high16 Ų1673.9 Ų73.98%0.08241%0.413CS..  trans-94.4136.7-180-53.9177.5000109.5V168 G169 E170 I277 Y308 L344V168-I172 HydrophobicContact CG1-CB 3.58Å; V168-I172 HydrophobicContact CG1-CG2 3.76Å; V168-I172 WeakPolarHBondContact CG1-O 3.2Å; G169-I172 PolarHBondContact O-N 3.1Å; E170-I172 VanDerWaalsContact C-N 3.26Å; E170-I172 PolarHBondContact O-N 3.08Å; I172-I277 HydrophobicContact CD1-CB 4.46Å; I172-I277 HydrophobicContact CD1-CG2 3.85Å; I172-I277 WeakPolarHBondContact CD1-O 3.22Å; I172-I277 HydrophobicContact CG2-CG2 4.44Å; I172-Y308 HydrophobicContact CD1-CD1 3.7Å; I172-Y308 HydrophobicContact CD1-CE1 3.75Å; I172-Y308 HydrophobicContact CG1-CD1 4.27Å; I172-Y308 HydrophobicContact CG1-CE1 3.78Å; I172-Y308 HydrophobicContact CG2-CE1 4.05Å; I172-L344 HydrophobicContact CG2-CD1 4.1Å; I172-L344 HydrophobicContact CG2-CD2 4.43Å
173T89.1Confident92.9Very high93 Ų9373.5 Ų73.557%0.57141%0.412SS*.  trans-124.9127.9179-58.50000110.2
174L88.2Confident92.6Very high71 Ų7180.9 Ų80.937%0.37245%0.446SS..  trans-91.5115.1170.4-66.6174.4000109.4V168 L344V168-L174 HydrophobicContact CG2-CD1 3.45Å; V168-L174 VanDerWaalsContact CG2-CD1 3.45Å; V168-L174 HydrophobicContact CG2-CG 3.87Å; L174-L344 HydrophobicContact CD2-CB 4.09Å; L174-L344 HydrophobicContact CD2-CD1 3.74Å; L174-L344 HydrophobicContact CD2-CG 4.4Å
175N89.2Confident92.4Very high98 Ų9881.5 Ų81.552%0.52445%0.449SS..PPolyproline II helixtrans-85122.2179.5-69.7-41.2000110.2N339N175-N339 WeakPolarHBondContact O-CA 3.47Å; N175-N339 PolarHBondContact O-OD1 3.23Å
176Q90.5Very high92.4Very high142 Ų14274.8 Ų74.866%0.66442%0.418SS*.PPolyproline II helixtrans-70.5137.9174.2-70.8-170.1-9.600111.1D338Q176-D338 CarbonylContact C-O 3.54Å; Q176-D338 VanDerWaalsContact CA-O 3.31Å; Q176-D338 WeakPolarHBondContact CA-O 3.45Å
177V91.5Very high92.3Very high11 Ų1174.4 Ų74.47%0.06742%0.418CS..PPolyproline II helixtrans-60.3135.5174.566.20000111.1V179 N223 R225 D338 L340V177-V179 VanDerWaalsContact CG2-O 3.3Å; V177-V179 WeakPolarHBondContact CG2-O 3.5Å; V177-N223 HydrophobicContact CG1-CB 3.73Å; V177-N223 VanDerWaalsContact CG1-ND2 3.27Å; V177-N223 WeakPolarHBondContact CG1-ND2 3.3Å; V177-R225 HydrophobicContact CG1-CG 4.31Å; V177-R225 WeakPolarHBondContact O-CG 3.39Å; V177-D338 PolarHBondContact N-O 3.32Å; V177-L340 HydrophobicContact CB-CD1 4.37Å; V177-L340 HydrophobicContact CB-CG 4.15Å; V177-L340 HydrophobicContact CG2-CD1 3.5Å; V177-L340 VanDerWaalsContact CG2-CD1 3.5Å; V177-L340 HydrophobicContact CG2-CG 3.82Å
178A90.3Very high92.2Very high91 Ų9178.1 Ų78.175%0.75243%0.433SS*.SBendtrans-81.9-26.1-177.700000113.2
179V92.3Very high92.1Very high106 Ų10678.6 Ų78.664%0.64244%0.442SS*.  trans-128.7150.3-170.8-63.40000112.1V177 N223V177-V179 VanDerWaalsContact CG2-O 3.3Å; V177-V179 WeakPolarHBondContact CG2-O 3.5Å; V179-N223 PolarHBondContact O-ND2 3.14Å
180G94.9Very high92Very high27 Ų2780 Ų8028%0.27845%0.449SS..  trans-134.3168.2171.500000110.5C226G180-C226 WeakPolarHBondContact CA-SG 3.33Å
181C95.8Very high92Very high14 Ų1475.5 Ų75.510%0.09544%0.435CS..  trans-72.7153.2177.274.10000112C194 C226 R227C181-C194 PolarHBondContact SG-SG 3.29Å; C181-C226 PolarHBondContact N-SG 3.4Å; C181-C226 WeakPolarHBondContact O-CA 3.39Å; C181-R227 PolarHBondContact O-N 3.25Å
182E95.3Very high91.9Very high161 Ų16175 Ų7575%0.75243%0.43SS*.  trans-102.412.5175.3-60.2-175.7171.500112.8
183C94.8Very high91.9Very high3 Ų375.7 Ų75.72%0.0244%0.44CS..  trans-59.4139.3-174.9-550000111.9C186C183-C186 HydrophobicContact CB-CB 4.5Å; C183-C186 VanDerWaalsContact CB-SG 3.57Å
184Q91.9Very high92.2Very high184 Ų18471.5 Ų71.586%0.8642%0.415SS*.SBendtrans-81.4-36.7164.8-67.7-177.4-3.300111.2
185D94Very high92.6Very high59 Ų5968.7 Ų68.732%0.31640%0.401SS..  trans-133.4104.4175.3-173.3-28.3000109.3L187 W188 A189D185-L187 PolarHBondContact O-N 2.74Å; D185-L187 PolarHBondContact OD1-N 2.93Å; D185-W188 PolarHBondContact OD1-N 2.86Å; D185-W188 VanDerWaalsContact OD2-CD1 3.27Å; D185-A189 HydrophobicContact CB-CB 4.32Å; D185-A189 CarbonylContact O-C 3.6Å; D185-A189 WeakPolarHBondContact O-CA 3.34Å; D185-A189 PolarHBondContact O-N 2.78Å; D185-A189 VanDerWaalsContact O-O 3.06Å
186C96Very high92.8Very high3 Ų364.1 Ų64.12%0.0238%0.377CS..THydrogen-bonded Turntrans-71.8-14.4-177.4-63.60000113.9C183 P190 C194 F203 C228 N234C183-C186 HydrophobicContact CB-CB 4.5Å; C183-C186 VanDerWaalsContact CB-SG 3.57Å; C186-P190 WeakPolarHBondContact O-CB 3.39Å; C186-C194 PolarHBondContact SG-SG 3Å; C186-F203 HydrophobicContact CB-CE2 4.33Å; C186-F203 WeakPolarHBondContact O-CE2 3.09Å; C186-C228 VanDerWaalsContact SG-CB 3.59Å; C186-C228 VanDerWaalsContact SG-SG 3.67Å; C186-N234 HydrophobicContact CB-CB 4.49Å
187L93.7Very high92.9Very high31 Ų3158.3 Ų58.316%0.16236%0.355CS..THydrogen-bonded Turntrans-101.2-50.6-175.318062.4000111.3D185 F203 D207 P233D185-L187 PolarHBondContact O-N 2.74Å; D185-L187 PolarHBondContact OD1-N 2.93Å; L187-F203 HydrophobicContact CB-CZ 4.49Å; L187-F203 HydrophobicContact CD1-CD1 4.07Å; L187-F203 HydrophobicContact CD1-CE1 3.64Å; L187-F203 HydrophobicContact CD1-CZ 4.02Å; L187-D207 HydrophobicContact CD2-CB 3.83Å; L187-P233 HydrophobicContact CB-CB 4.09Å; L187-P233 HydrophobicContact CB-CG 3.95Å; L187-P233 HydrophobicContact CD2-CB 4.07Å; L187-P233 HydrophobicContact CD2-CG 4.11Å
188W92.8Very high92.9Very high188 Ų18861.9 Ų61.971%0.71239%0.386SS*.THydrogen-bonded Turntrans-95.3-22.9-173.2-55.2112.6000113.4D185 D207D185-W188 PolarHBondContact OD1-N 2.86Å; D185-W188 VanDerWaalsContact OD2-CD1 3.27Å; W188-D207 HydrophobicContact CZ2-CB 3.96Å
189A91.6Very high92.9Very high63 Ų6359.1 Ų59.152%0.52136%0.361SS..SBendtrans-136.755.1176.300000112.8D185 T191D185-A189 HydrophobicContact CB-CB 4.32Å; D185-A189 CarbonylContact O-C 3.6Å; D185-A189 WeakPolarHBondContact O-CA 3.34Å; D185-A189 PolarHBondContact O-N 2.78Å; D185-A189 VanDerWaalsContact O-O 3.06Å; A189-T191 PolarHBondContact O-N 3.28Å
190P91.2Very high92.8Very high44 Ų4462 Ų6229%0.28637%0.372SS..  trans-69.8101.2-177.427.7-33.2000111.4C186 G192 G193 C194C186-P190 WeakPolarHBondContact O-CB 3.39Å; P190-G192 PolarHBondContact O-N 3.21Å; P190-G193 PolarHBondContact O-N 3Å; P190-C194 HydrophobicContact CB-CB 3.84Å
191T88Confident92.7Very high102 Ų10263.5 Ų63.563%0.62637%0.372SS*.G310 helixtrans-49.7117.3169.8-48.80000110.1A189 G193 C194A189-T191 PolarHBondContact O-N 3.28Å; T191-G193 PolarHBondContact O-N 3.26Å; T191-G193 VanDerWaalsContact O-N 3.16Å; T191-C194 PolarHBondContact O-N 2.83Å
192G88.2Confident92.5Very high69 Ų6970.8 Ų70.871%0.71140%0.402SS*.G310 helixtrans60.221.2-178.800000115.1P190 G197P190-G192 PolarHBondContact O-N 3.21Å; G192-G197 WeakPolarHBondContact O-CA 3.32Å
193G91.4Very high92.5Very high29 Ų2965.1 Ų65.130%0.29938%0.375SS..G310 helixtrans80.412.9-174.300000114.5P190 T191 G197P190-G193 PolarHBondContact O-N 3Å; T191-G193 PolarHBondContact O-N 3.26Å; T191-G193 VanDerWaalsContact O-N 3.16Å; G193-G197 PolarHBondContact O-N 2.88Å
194C95.5Very high92.6Very high5 Ų565 Ų653%0.03437%0.374CS..Hα-helixtrans61.3-156.7-178.4-166.30000111.6C181 C186 P190 T191 P196 G197 A198 C222C181-C194 PolarHBondContact SG-SG 3.29Å; C186-C194 PolarHBondContact SG-SG 3Å; P190-C194 HydrophobicContact CB-CB 3.84Å; T191-C194 PolarHBondContact O-N 2.83Å; C194-P196 VanDerWaalsContact C-CD 3.49Å; C194-G197 PolarHBondContact O-N 3.45Å; C194-A198 PolarHBondContact O-N 3.47Å; C194-C222 PolarHBondContact SG-SG 2.66Å
195C95.9Very high92.8Very high13 Ų1356.4 Ų56.49%0.08833%0.334CS..Hα-helixtrans-56.5-41.7177.2-61.10000113.5G197 A198 S199 C226C195-G197 VanDerWaalsContact C-N 3.34Å; C195-G197 PolarHBondContact O-N 3.45Å; C195-A198 PolarHBondContact O-N 3.27Å; C195-S199 PolarHBondContact O-N 3.18Å; C195-C226 PolarHBondContact SG-SG 2.94Å
196P94.2Very high92.9Very high1 Ų155 Ų551%0.00633%0.326CS..Hα-helixtrans-57.2-47173.1-22.130.2000112.5C194 A198 S199 L200 H201 F203 Y220C194-P196 VanDerWaalsContact C-CD 3.49Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 2.97Å; P196-S199 CarbonylContact O-C 3.57Å; P196-S199 WeakPolarHBondContact O-CA 3.38Å; P196-S199 PolarHBondContact O-N 2.75Å; P196-L200 PolarHBondContact O-N 2.96Å; P196-L200 VanDerWaalsContact O-N 3.17Å; P196-H201 CarbonylContact C-O 3.55Å; P196-H201 WeakPolarHBondContact CB-O 2.9Å; P196-H201 WeakPolarHBondContact O-CA 2.98Å; P196-H201 PolarHBondContact O-N 3Å; P196-F203 HydrophobicContact CG-CD2 4.25Å; P196-Y220 WeakPolarHBondContact CG-O 3.22Å
197G92.6Very high92.8Very high21 Ų2159.7 Ų59.722%0.21635%0.351CS..Hα-helixtrans-65.2-34.7-179.200000113.5G192 G193 C194 C195 S199 L200 H201G192-G197 WeakPolarHBondContact O-CA 3.32Å; G193-G197 PolarHBondContact O-N 2.88Å; C194-G197 PolarHBondContact O-N 3.45Å; C195-G197 VanDerWaalsContact C-N 3.34Å; C195-G197 PolarHBondContact O-N 3.45Å; G197-S199 PolarHBondContact O-N 3.24Å; G197-L200 PolarHBondContact O-N 2.87Å; G197-H201 PolarHBondContact N-O 3.04Å
198A90.8Very high92.9Very high85 Ų8563.6 Ų63.670%0.70237%0.368SS*.Hα-helixtrans-62-29.9172.600000112.7C194 C195 P196C194-A198 PolarHBondContact O-N 3.47Å; C195-A198 PolarHBondContact O-N 3.27Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 2.97Å
199S89.3Confident93.1Very high33 Ų3355.5 Ų55.523%0.23134%0.344CS..THydrogen-bonded Turntrans-93.712.7172.6-540000113.2C195 P196 G197 H201 Y220C195-S199 PolarHBondContact O-N 3.18Å; P196-S199 CarbonylContact O-C 3.57Å; P196-S199 WeakPolarHBondContact O-CA 3.38Å; P196-S199 PolarHBondContact O-N 2.75Å; G197-S199 PolarHBondContact O-N 3.24Å; S199-H201 PolarHBondContact O-CD2 3.46Å; S199-H201 PolarHBondContact O-N 3.22Å; S199-Y220 VanDerWaalsContact OG-CD1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CD1 3.26Å; S199-Y220 VanDerWaalsContact OG-CE1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CE1 3.48Å
200L91.3Very high93.4Very high166 Ų16654 Ų5487%0.86933%0.326SS*.THydrogen-bonded Turntrans60.724.5-177.3-52.4175.6000114.8P196 G197P196-L200 PolarHBondContact O-N 2.96Å; P196-L200 VanDerWaalsContact O-N 3.17Å; G197-L200 PolarHBondContact O-N 2.87Å
201H91.8Very high93.7Very high60 Ų6052 Ų5228%0.27831%0.313SS..  trans-111167177.2-71.6-77.2000113P196 G197 S199 P218 Y220P196-H201 CarbonylContact C-O 3.55Å; P196-H201 WeakPolarHBondContact CB-O 2.9Å; P196-H201 WeakPolarHBondContact O-CA 2.98Å; P196-H201 PolarHBondContact O-N 3Å; G197-H201 PolarHBondContact N-O 3.04Å; S199-H201 PolarHBondContact O-CD2 3.46Å; S199-H201 PolarHBondContact O-N 3.22Å; H201-P218 WeakPolarHBondContact CE1-CG 3.34Å; H201-Y220 HydrophobicContact CB-CD2 4.06Å; H201-Y220 HydrophobicContact CB-CE2 4.46Å; H201-Y220 AromaticContact CD2-CD2 3.65Å; H201-Y220 AromaticContact CD2-CE2 3.17Å; H201-Y220 WeakPolarHBondContact CD2-CE2 3.42Å; H201-Y220 AromaticContact CG-CD2 3.99Å; H201-Y220 AromaticContact CG-CE2 3.9Å; H201-Y220 AromaticContact NE2-CE2 3.64Å
202K92.1Very high94.1Very high166 Ų16656.3 Ų56.372%0.72232%0.318SS*.  trans-88.2150.9179.2-66-179.2-176.7175.20111.2A204 L213K202-A204 PolarHBondContact O-N 2.83Å; K202-L213 HydrophobicContact CB-CD2 4.07Å
203F94.7Very high94.4Very high43 Ų4354 Ų5419%0.18929%0.289CS..  trans-59.6128.5171.7-161.6-81.7000111.1C186 L187 P196 Y205 P233 N234C186-F203 HydrophobicContact CB-CE2 4.33Å; C186-F203 WeakPolarHBondContact O-CE2 3.09Å; L187-F203 HydrophobicContact CB-CZ 4.49Å; L187-F203 HydrophobicContact CD1-CD1 4.07Å; L187-F203 HydrophobicContact CD1-CE1 3.64Å; L187-F203 HydrophobicContact CD1-CZ 4.02Å; P196-F203 HydrophobicContact CG-CD2 4.25Å; F203-Y205 VanDerWaalsContact CD1-O 3.23Å; F203-Y205 WeakPolarHBondContact CD1-O 3.39Å; F203-Y205 HydrophobicContact CE1-CD2 4.39Å; F203-Y205 WeakPolarHBondContact CE1-O 3.34Å; F203-P233 HydrophobicContact CZ-CB 4.42Å; F203-N234 HydrophobicContact CE2-CB 3.54Å; F203-N234 HydrophobicContact CZ-CB 3.52Å
204A96.9Very high94.4Very high1 Ų159.4 Ų59.41%0.00830%0.3CS..  trans-82.9-28-166.700000114.5K202 V211 R212 L213 I219K202-A204 PolarHBondContact O-N 2.83Å; A204-V211 CarbonylContact O-C 3.6Å; A204-V211 WeakPolarHBondContact O-CA 3.46Å; A204-R212 PolarHBondContact O-N 2.74Å; A204-L213 HydrophobicContact CB-CD1 3.68Å; A204-L213 HydrophobicContact CB-CG 4.1Å; A204-I219 HydrophobicContact CB-CB 4.25Å; A204-I219 HydrophobicContact CB-CD1 4.36Å; A204-I219 HydrophobicContact CB-CG1 3.91Å; A204-I219 HydrophobicContact CB-CG2 3.64Å
205Y97.4Very high94Very high2 Ų259.9 Ų59.91%0.00831%0.305CS..BIsolated β-bridgetrans-112.9154.2-166.6-47.4-61.6000113.7F203 Q210 V211 I219 E221 P233 V236 F350F203-Y205 VanDerWaalsContact CD1-O 3.23Å; F203-Y205 WeakPolarHBondContact CD1-O 3.39Å; F203-Y205 HydrophobicContact CE1-CD2 4.39Å; F203-Y205 WeakPolarHBondContact CE1-O 3.34Å; Y205-Q210 CarbonylContact C-O 3.38Å; Y205-Q210 VanDerWaalsContact CA-O 3.32Å; Y205-Q210 WeakPolarHBondContact CA-O 3.46Å; Y205-V211 HydrophobicContact CD1-CB 4.44Å; Y205-I219 HydrophobicContact CE1-CD1 4.34Å; Y205-I219 HydrophobicContact CE1-CG2 4.43Å; Y205-I219 HydrophobicContact CE2-CG2 4.21Å; Y205-I219 WeakPolarHBondContact OH-CG2 3.31Å; Y205-E221 HydrophobicContact CE2-CG 4.14Å; Y205-E221 WeakPolarHBondContact CE2-OE1 3.4Å; Y205-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E221 PolarHBondContact OH-OE1 3.14Å; Y205-P233 WeakPolarHBondContact CD2-O 3.47Å; Y205-V236 HydrophobicContact CD1-CB 4.47Å; Y205-V236 HydrophobicContact CD1-CG2 4.03Å; Y205-V236 HydrophobicContact CD2-CB 4.34Å; Y205-V236 HydrophobicContact CD2-CG2 3.59Å; Y205-V236 HydrophobicContact CE1-CB 4.07Å; Y205-V236 HydrophobicContact CE1-CG1 4.38Å; Y205-V236 HydrophobicContact CE1-CG2 4.11Å; Y205-V236 HydrophobicContact CE2-CB 3.87Å; Y205-V236 HydrophobicContact CE2-CG2 3.63Å; Y205-V236 HydrophobicContact CG-CG2 3.76Å; Y205-F350 AromaticContact CE1-CE1 3.92Å; Y205-F350 HydrophobicContact CE1-CE1 3.92Å; Y205-F350 AromaticContact CE1-CZ 3.8Å; Y205-F350 HydrophobicContact CE1-CZ 3.8Å
206N95.5Very high93.5Very high31 Ų3160 Ų6017%0.16631%0.309CS..  trans-84.3-179.2161.368.27.3000111.4Q208 G209 Q210 R212N206-Q208 PolarHBondContact O-N 3.19Å; N206-Q208 WeakPolarHBondContact OD1-CA 3.46Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.15Å; N206-Q208 PolarHBondContact OD1-N 2.84Å; N206-G209 PolarHBondContact O-N 3.3Å; N206-G209 PolarHBondContact OD1-N 3.41Å; N206-G209 VanDerWaalsContact OD1-N 3.11Å; N206-Q210 PolarHBondContact N-O 3.43Å; N206-Q210 PolarHBondContact ND2-OE1 2.77Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.23Å; N206-Q210 PolarHBondContact OD1-N 2.83Å; N206-Q210 PolarHBondContact OD1-O 3.22Å; N206-R212 HydrophobicContact CB-CG 4.22Å
207D94.7Very high93.4Very high101 Ų10162.7 Ų62.754%0.5432%0.323SS..THydrogen-bonded Turntrans-61.6-15.8174.363-25.6000114.3L187 W188L187-D207 HydrophobicContact CD2-CB 3.83Å; W188-D207 HydrophobicContact CZ2-CB 3.96Å
208Q95.6Very high93.5Very high112 Ų11261.9 Ų61.952%0.52331%0.313SS..THydrogen-bonded Turntrans-96.14175-55.2-174.817.600113.3N206 Q210N206-Q208 PolarHBondContact O-N 3.19Å; N206-Q208 WeakPolarHBondContact OD1-CA 3.46Å; N206-Q208 WeakPolarHBondContact OD1-CB 3.15Å; N206-Q208 PolarHBondContact OD1-N 2.84Å; Q208-Q210 VanDerWaalsContact C-N 3.29Å; Q208-Q210 HydrophobicContact CB-CG 4.26Å; Q208-Q210 PolarHBondContact O-N 3.21Å
209G96.3Very high93.8Very high19 Ų1957.8 Ų57.820%0.19628%0.28CS..SBendtrans73.117.7-177.900000114.3N206N206-G209 PolarHBondContact O-N 3.3Å; N206-G209 PolarHBondContact OD1-N 3.41Å; N206-G209 VanDerWaalsContact OD1-N 3.11Å
210Q97.9Very high94.2Very high32 Ų3256.8 Ų56.815%0.1527%0.271CS..BIsolated β-bridgetrans-91.1135.8177.1-58.2172-59.600110.5Y205 N206 Q208 K266 N267Y205-Q210 CarbonylContact C-O 3.38Å; Y205-Q210 VanDerWaalsContact CA-O 3.32Å; Y205-Q210 WeakPolarHBondContact CA-O 3.46Å; N206-Q210 PolarHBondContact N-O 3.43Å; N206-Q210 PolarHBondContact ND2-OE1 2.77Å; N206-Q210 WeakPolarHBondContact OD1-CB 3.23Å; N206-Q210 PolarHBondContact OD1-N 2.83Å; N206-Q210 PolarHBondContact OD1-O 3.22Å; Q208-Q210 VanDerWaalsContact C-N 3.29Å; Q208-Q210 HydrophobicContact CB-CG 4.26Å; Q208-Q210 PolarHBondContact O-N 3.21Å; Q210-K266 PolarHBondContact NE2-O 3.03Å; Q210-N267 CarbonylContact C-O 3.6Å; Q210-N267 WeakPolarHBondContact CA-O 3.41Å; Q210-N267 HydrophobicContact CB-CB 3.99Å
211V97.8Very high94.5Very high2 Ų249 Ų491%0.01223%0.23CC..BIsolated β-bridgetrans-65.3135.6177.669.10000111.3A204 Y205 L213 I219 N267 Y333 F350A204-V211 CarbonylContact O-C 3.6Å; A204-V211 WeakPolarHBondContact O-CA 3.46Å; Y205-V211 HydrophobicContact CD1-CB 4.44Å; V211-L213 HydrophobicContact CG2-CB 4.23Å; V211-I219 HydrophobicContact CG2-CD1 4.04Å; V211-N267 HydrophobicContact CG1-CB 3.85Å; V211-N267 PolarHBondContact N-O 2.82Å; V211-N267 VanDerWaalsContact O-CB 3.28Å; V211-N267 WeakPolarHBondContact O-CB 3.06Å; V211-N267 PolarHBondContact O-ND2 2.77Å; V211-Y333 HydrophobicContact CG1-CE2 4.26Å; V211-Y333 HydrophobicContact CG2-CD1 4.37Å; V211-Y333 HydrophobicContact CG2-CE1 3.88Å; V211-F350 HydrophobicContact CB-CD1 3.79Å; V211-F350 HydrophobicContact CB-CE1 3.89Å; V211-F350 HydrophobicContact CB-CG 4.41Å; V211-F350 HydrophobicContact CG1-CB 4.07Å; V211-F350 HydrophobicContact CG1-CD1 3.58Å; V211-F350 HydrophobicContact CG1-CE1 4.21Å; V211-F350 HydrophobicContact CG1-CG 3.92Å
212R96Very high94.8Very high192 Ų19246.2 Ų46.273%0.72522%0.217SC*.  trans-112.1-15.6178.1-60.1-179.268.7179.6-1112.8A204 N206A204-R212 PolarHBondContact O-N 2.74Å; N206-R212 HydrophobicContact CB-CG 4.22Å
213L93.8Very high95Very high21 Ų2138.5 Ų38.511%0.1118%0.184CC..SBendtrans-71.2152.4175.5-55.7-179.3000109.8K202 A204 V211 L217 I219 Y333K202-L213 HydrophobicContact CB-CD2 4.07Å; A204-L213 HydrophobicContact CB-CD1 3.68Å; A204-L213 HydrophobicContact CB-CG 4.1Å; V211-L213 HydrophobicContact CG2-CB 4.23Å; L213-L217 HydrophobicContact CB-CB 4.37Å; L213-L217 HydrophobicContact CB-CD1 4.48Å; L213-L217 HydrophobicContact CD1-CB 4.42Å; L213-I219 HydrophobicContact CD1-CG1 4.2Å; L213-Y333 HydrophobicContact CB-CE1 4.5Å; L213-Y333 PolarHBondContact O-OH 3.25Å; L213-Y333 VanDerWaalsContact O-OH 3.12Å
214R91.8Very high95.1Very high141 Ų14140 Ų4053%0.53220%0.2SC..PPolyproline II helixtrans-72.2155.6164.162175.4-177.5-1751.3109.6L217 Y333 D373R214-L217 HydrophobicContact CG-CD1 3.67Å; R214-L217 HydrophobicContact CG-CG 3.87Å; R214-L217 PolarHBondContact O-N 3.18Å; R214-Y333 WeakPolarHBondContact O-CE1 3.41Å; R214-D373 WeakPolarHBondContact CD-OD1 3.28Å; R214-D373 IonicContact CZ-OD1 3.73Å; R214-D373 IonicContact NE-OD1 2.89Å; R214-D373 PolarHBondContact NE-OD1 3.5Å; R214-D373 IonicContact NH1-OD1 3.49Å; R214-D373 PolarHBondContact NH1-OD1 3.33Å
215A88Confident95Very high15 Ų1546.9 Ų46.912%0.12423%0.225CC..THydrogen-bonded Turntrans-56.8155.2169.600000110.9L217 Q331 Y333A215-L217 PolarHBondContact O-N 3.16Å; A215-Q331 HydrophobicContact CB-CG 3.69Å; A215-Y333 PolarHBondContact N-OH 3.18Å
216G86.1Confident95Very high17 Ų1747.4 Ų47.418%0.17523%0.229CC..THydrogen-bonded Turntrans84.6-23.2-174.300000114.4E375G216-E375 WeakPolarHBondContact CA-O 3.41Å
217L91.6Very high95Very high57 Ų5754.9 Ų54.930%0.29826%0.255SS..SBendtrans-82.7136.9171.9-63.9179.9000111.3L213 R214 A215L213-L217 HydrophobicContact CB-CB 4.37Å; L213-L217 HydrophobicContact CB-CD1 4.48Å; L213-L217 HydrophobicContact CD1-CB 4.42Å; R214-L217 HydrophobicContact CG-CD1 3.67Å; R214-L217 HydrophobicContact CG-CG 3.87Å; R214-L217 PolarHBondContact O-N 3.18Å; A215-L217 PolarHBondContact O-N 3.16Å
218P94.4Very high95Very high3 Ų350.8 Ų50.82%0.01923%0.234CC..  trans-74.1150.6-179.733.5-38.3000111.3H201 Y220 Y303 F336H201-P218 WeakPolarHBondContact CE1-CG 3.34Å; P218-Y220 HydrophobicContact CB-CD2 4.32Å; P218-Y220 HydrophobicContact CB-CE2 3.82Å; P218-Y220 HydrophobicContact CG-CD2 4.33Å; P218-Y220 HydrophobicContact CG-CE2 3.72Å; P218-Y303 HydrophobicContact CB-CE1 4.39Å; P218-Y303 HydrophobicContact CB-CE2 4.47Å; P218-Y303 VanDerWaalsContact CD-OH 3.27Å; P218-Y303 WeakPolarHBondContact CD-OH 3.31Å; P218-Y303 WeakPolarHBondContact CG-OH 3.5Å; P218-F336 HydrophobicContact CB-CD2 4.05Å; P218-F336 HydrophobicContact CB-CE2 3.75Å
219I97.1Very high95Very high0 Ų047.9 Ų47.90%024%0.235CC..EExtended strand (participates in β ladder)trans-106.9125173.8-61.3175.9000109.1A204 Y205 V211 L213 E221 Y333 N334 V335 F336 F350A204-I219 HydrophobicContact CB-CB 4.25Å; A204-I219 HydrophobicContact CB-CD1 4.36Å; A204-I219 HydrophobicContact CB-CG1 3.91Å; A204-I219 HydrophobicContact CB-CG2 3.64Å; Y205-I219 HydrophobicContact CE1-CD1 4.34Å; Y205-I219 HydrophobicContact CE1-CG2 4.43Å; Y205-I219 HydrophobicContact CE2-CG2 4.21Å; Y205-I219 WeakPolarHBondContact OH-CG2 3.31Å; V211-I219 HydrophobicContact CG2-CD1 4.04Å; L213-I219 HydrophobicContact CD1-CG1 4.2Å; I219-E221 HydrophobicContact CG2-CG 4.19Å; I219-Y333 HydrophobicContact CD1-CD1 3.71Å; I219-Y333 HydrophobicContact CD1-CG 3.88Å; I219-Y333 HydrophobicContact CG1-CD1 4.15Å; I219-N334 PolarHBondContact N-O 2.81Å; I219-V335 HydrophobicContact CB-CG1 4.31Å; I219-V335 HydrophobicContact CB-CG2 4.19Å; I219-V335 HydrophobicContact CD1-CG2 4.39Å; I219-V335 HydrophobicContact CG2-CG1 4.22Å; I219-V335 CarbonylContact O-C 3.45Å; I219-V335 WeakPolarHBondContact O-CA 3.07Å; I219-F336 PolarHBondContact O-N 2.95Å; I219-F350 HydrophobicContact CD1-CE2 3.99Å; I219-F350 HydrophobicContact CD1-CZ 4.14Å
220Y97.3Very high94.9Very high12 Ų1252.9 Ų52.95%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-108.8102.3175.3-75.8-90.6000110.2P196 S199 H201 P218 N234 F336 L340 E342P196-Y220 WeakPolarHBondContact CG-O 3.22Å; S199-Y220 VanDerWaalsContact OG-CD1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CD1 3.26Å; S199-Y220 VanDerWaalsContact OG-CE1 3.26Å; S199-Y220 WeakPolarHBondContact OG-CE1 3.48Å; H201-Y220 HydrophobicContact CB-CD2 4.06Å; H201-Y220 HydrophobicContact CB-CE2 4.46Å; H201-Y220 AromaticContact CD2-CD2 3.65Å; H201-Y220 AromaticContact CD2-CE2 3.17Å; H201-Y220 WeakPolarHBondContact CD2-CE2 3.42Å; H201-Y220 AromaticContact CG-CD2 3.99Å; H201-Y220 AromaticContact CG-CE2 3.9Å; H201-Y220 AromaticContact NE2-CE2 3.64Å; P218-Y220 HydrophobicContact CB-CD2 4.32Å; P218-Y220 HydrophobicContact CB-CE2 3.82Å; P218-Y220 HydrophobicContact CG-CD2 4.33Å; P218-Y220 HydrophobicContact CG-CE2 3.72Å; Y220-N234 PolarHBondContact O-ND2 3.39Å; Y220-F336 HydrophobicContact CD1-CB 3.69Å; Y220-F336 HydrophobicContact CD1-CD2 4.35Å; Y220-F336 HydrophobicContact CD1-CG 4.38Å; Y220-F336 HydrophobicContact CD2-CD2 4.47Å; Y220-F336 HydrophobicContact CE1-CB 3.68Å; Y220-F336 AromaticContact CE1-CD2 3.85Å; Y220-F336 HydrophobicContact CE1-CD2 3.85Å; Y220-F336 AromaticContact CE1-CG 3.94Å; Y220-F336 HydrophobicContact CE1-CG 3.94Å; Y220-F336 AromaticContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CG-CB 4.4Å; Y220-F336 AromaticContact CZ-CD2 3.65Å; Y220-L340 HydrophobicContact CD1-CD2 4.1Å; Y220-L340 HydrophobicContact CE1-CD2 4.12Å; Y220-E342 PolarHBondContact OH-OE1 3.3Å
221E98.1Very high94.7Very high3 Ų357.8 Ų57.81%0.01428%0.276CS..  trans-81.2165.3176.3-63.9-150.5151.600112.1Y205 I219 N234 V236 V237 Q238 V335 F336 I337Y205-E221 HydrophobicContact CE2-CG 4.14Å; Y205-E221 WeakPolarHBondContact CE2-OE1 3.4Å; Y205-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y205-E221 PolarHBondContact OH-OE1 3.14Å; I219-E221 HydrophobicContact CG2-CG 4.19Å; E221-N234 WeakPolarHBondContact CA-ND2 3.4Å; E221-N234 WeakPolarHBondContact CA-O 3.31Å; E221-N234 VanDerWaalsContact CB-O 3.28Å; E221-N234 WeakPolarHBondContact CB-O 3.44Å; E221-V236 WeakPolarHBondContact OE1-CA 3.3Å; E221-V236 WeakPolarHBondContact OE1-CB 3.25Å; E221-V236 PolarHBondContact OE1-N 2.95Å; E221-V236 PolarHBondContact OE2-N 3.11Å; E221-V237 PolarHBondContact OE1-N 2.85Å; E221-V237 PolarHBondContact OE2-N 2.96Å; E221-Q238 WeakPolarHBondContact OE2-CG 3.24Å; E221-Q238 PolarHBondContact OE2-N 2.8Å; E221-Q238 PolarHBondContact OE2-NE2 3.22Å; E221-V335 HydrophobicContact CG-CG1 4.04Å; E221-F336 PolarHBondContact N-O 3.18Å; E221-I337 HydrophobicContact CB-CD1 4.21Å; E221-I337 HydrophobicContact CB-CG1 3.98Å; E221-I337 HydrophobicContact CB-CG2 4.36Å; E221-I337 HydrophobicContact CG-CD1 4.25Å; E221-I337 HydrophobicContact CG-CG1 4.3Å
222C97.8Very high94.7Very high0 Ų058.2 Ų58.20%028%0.279CS..  trans-68.1141.5164.6-71.60000110.4C194 C226 C228 N234 R235 Q238C194-C222 PolarHBondContact SG-SG 2.66Å; C222-C226 HydrophobicContact CB-CB 4.04Å; C222-C228 VanDerWaalsContact CB-SG 3.54Å; C222-N234 HydrophobicContact CB-CB 4.5Å; C222-N234 PolarHBondContact N-ND2 3.09Å; C222-N234 VanDerWaalsContact N-ND2 3.2Å; C222-N234 PolarHBondContact N-O 2.95Å; C222-R235 HydrophobicContact CB-CG 4Å; C222-R235 PolarHBondContact O-NH1 3.46Å; C222-Q238 PolarHBondContact O-NE2 3.36Å
223N96.9Very high94.7Very high5 Ų551.1 Ų51.13%0.02726%0.257CS..  trans-110.7-179.3-173.163.541000112.6V177 V179 R225 C226 R235 I337V177-N223 HydrophobicContact CG1-CB 3.73Å; V177-N223 VanDerWaalsContact CG1-ND2 3.27Å; V177-N223 WeakPolarHBondContact CG1-ND2 3.3Å; V179-N223 PolarHBondContact O-ND2 3.14Å; N223-R225 PolarHBondContact O-N 3.2Å; N223-R225 VanDerWaalsContact O-N 3.17Å; N223-R225 WeakPolarHBondContact OD1-CA 3.33Å; N223-R225 WeakPolarHBondContact OD1-CB 3.36Å; N223-R225 PolarHBondContact OD1-N 3.15Å; N223-C226 PolarHBondContact N-SG 2.79Å; N223-C226 WeakPolarHBondContact O-CB 3.36Å; N223-C226 PolarHBondContact O-N 3.02Å; N223-C226 VanDerWaalsContact O-N 3.1Å; N223-C226 PolarHBondContact OD1-N 3.48Å; N223-C226 PolarHBondContact OD1-SG 2.82Å; N223-R235 PolarHBondContact O-NH1 2.96Å; N223-R235 VanDerWaalsContact O-NH1 3.16Å; N223-R235 PolarHBondContact O-NH2 2.66Å; N223-I337 HydrophobicContact CB-CG2 4.35Å; N223-I337 WeakPolarHBondContact CB-O 3.22Å
224S95.8Very high94.9Very high74 Ų7450.1 Ų50.152%0.51725%0.252SS..THydrogen-bonded Turntrans-61.9-16.8179.756.50000114.9D338S224-D338 WeakPolarHBondContact CB-OD1 3.21Å; S224-D338 PolarHBondContact N-OD1 3.46Å; S224-D338 PolarHBondContact OG-OD1 3.04Å
225R96.1Very high95.2Very high145 Ų14544.2 Ų44.255%0.54723%0.23SC..THydrogen-bonded Turntrans-90.6-8.7175.9-56.6-62.1-178.6-178-4.5113.6V177 N223V177-R225 HydrophobicContact CG1-CG 4.31Å; V177-R225 WeakPolarHBondContact O-CG 3.39Å; N223-R225 PolarHBondContact O-N 3.2Å; N223-R225 VanDerWaalsContact O-N 3.17Å; N223-R225 WeakPolarHBondContact OD1-CA 3.33Å; N223-R225 WeakPolarHBondContact OD1-CB 3.36Å; N223-R225 PolarHBondContact OD1-N 3.15Å
226C96.6Very high95.6Very high14 Ų1444.5 Ų44.510%0.09523%0.23CC..  trans-75.7145.5-179.9-61.40000111.7G180 C181 C195 C222 N223 C228G180-C226 WeakPolarHBondContact CA-SG 3.33Å; C181-C226 PolarHBondContact N-SG 3.4Å; C181-C226 WeakPolarHBondContact O-CA 3.39Å; C195-C226 PolarHBondContact SG-SG 2.94Å; C222-C226 HydrophobicContact CB-CB 4.04Å; N223-C226 PolarHBondContact N-SG 2.79Å; N223-C226 WeakPolarHBondContact O-CB 3.36Å; N223-C226 PolarHBondContact O-N 3.02Å; N223-C226 VanDerWaalsContact O-N 3.1Å; N223-C226 PolarHBondContact OD1-N 3.48Å; N223-C226 PolarHBondContact OD1-SG 2.82Å; C226-C228 VanDerWaalsContact C-N 3.3Å; C226-C228 PolarHBondContact O-N 2.81Å
227R95.2Very high96.2Very high187 Ų18743.7 Ų43.771%0.70622%0.222SC*.SBendtrans-71.9-23.8177.6-159.6-179.1-168.4-161.63.3113.5C181C181-R227 PolarHBondContact O-N 3.25Å
228C95.8Very high96.5Very high15 Ų1543.5 Ų43.510%0.10122%0.219CC..SBendtrans-68.3138.4179.963.90000111.7C186 C222 C226 C232 R235C186-C228 VanDerWaalsContact SG-CB 3.59Å; C186-C228 VanDerWaalsContact SG-SG 3.67Å; C222-C228 VanDerWaalsContact CB-SG 3.54Å; C226-C228 VanDerWaalsContact C-N 3.3Å; C226-C228 PolarHBondContact O-N 2.81Å; C228-C232 HydrophobicContact CB-CB 3.96Å; C228-R235 PolarHBondContact O-NE 2.76Å; C228-R235 PolarHBondContact O-NH2 2.74Å
229G95.4Very high96.6Very high52 Ų5245.2 Ų45.254%0.53623%0.227SC..  trans-72.6-176.7-177.700000114.2D231 C232 R235G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.45Å; G229-C232 WeakPolarHBondContact O-CB 3.41Å; G229-C232 PolarHBondContact O-N 3.04Å; G229-C232 VanDerWaalsContact O-N 3.14Å; G229-R235 VanDerWaalsContact O-CD 3.31Å; G229-R235 WeakPolarHBondContact O-CD 3.49Å; G229-R235 PolarHBondContact O-NE 3.28Å; G229-R235 VanDerWaalsContact O-NE 3.15Å
230Y93.7Very high96.6Very high124 Ų12446 Ų4649%0.48623%0.234SC..THydrogen-bonded Turntrans-56.7-36.9180179.3-99.5000113.2C232 K239 R242Y230-C232 PolarHBondContact O-N 3.32Å; Y230-K239 HydrophobicContact CE1-CD 4.35Å; Y230-K239 HydrophobicContact CE1-CG 4.28Å; Y230-K239 HydrophobicContact CE2-CG 4.03Å; Y230-K239 WeakPolarHBondContact O-CE 3.45Å; Y230-K239 PolarHBondContact O-NZ 2.78Å; Y230-R242 PolarHBondContact OH-NH1 3.34Å; Y230-R242 VanDerWaalsContact OH-NH1 3.08Å
231D94.6Very high96.7Very high135 Ų13545.7 Ų45.772%0.72223%0.234SC*.THydrogen-bonded Turntrans-782.2-177.8-62.8-44.7000114.3G229G229-D231 VanDerWaalsContact C-N 3.26Å; G229-D231 PolarHBondContact O-N 3.45Å
232C96.5Very high96.6Very high10 Ų1050.6 Ų50.67%0.06825%0.252CS..  trans-48.5131.5174.9175.60000111.3C228 G229 Y230 N234 R235 K239C228-C232 HydrophobicContact CB-CB 3.96Å; G229-C232 WeakPolarHBondContact O-CB 3.41Å; G229-C232 PolarHBondContact O-N 3.04Å; G229-C232 VanDerWaalsContact O-N 3.14Å; Y230-C232 PolarHBondContact O-N 3.32Å; C232-N234 PolarHBondContact O-N 2.78Å; C232-N234 PolarHBondContact SG-N 3.04Å; C232-R235 HydrophobicContact CB-CB 4.33Å; C232-R235 HydrophobicContact CB-CG 3.79Å; C232-R235 WeakPolarHBondContact O-CB 3.39Å; C232-R235 PolarHBondContact O-N 3.16Å; C232-K239 PolarHBondContact O-NZ 3.19Å
233P96.2Very high96.7Very high43 Ų4352.3 Ų52.328%0.27926%0.259SS..THydrogen-bonded Turntrans-61.9-20.5175.8-25.535.5000113.7L187 F203 Y205 R235 V236L187-P233 HydrophobicContact CB-CB 4.09Å; L187-P233 HydrophobicContact CB-CG 3.95Å; L187-P233 HydrophobicContact CD2-CB 4.07Å; L187-P233 HydrophobicContact CD2-CG 4.11Å; F203-P233 HydrophobicContact CZ-CB 4.42Å; Y205-P233 WeakPolarHBondContact CD2-O 3.47Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.14Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å
234N97.5Very high96.7Very high0 Ų053.4 Ų53.40%027%0.265CS..THydrogen-bonded Turntrans-9124.5173.3-154.235.2000113.7C186 F203 Y220 E221 C222 C232C186-N234 HydrophobicContact CB-CB 4.49Å; F203-N234 HydrophobicContact CE2-CB 3.54Å; F203-N234 HydrophobicContact CZ-CB 3.52Å; Y220-N234 PolarHBondContact O-ND2 3.39Å; E221-N234 WeakPolarHBondContact CA-ND2 3.4Å; E221-N234 WeakPolarHBondContact CA-O 3.31Å; E221-N234 VanDerWaalsContact CB-O 3.28Å; E221-N234 WeakPolarHBondContact CB-O 3.44Å; C222-N234 HydrophobicContact CB-CB 4.5Å; C222-N234 PolarHBondContact N-ND2 3.09Å; C222-N234 VanDerWaalsContact N-ND2 3.2Å; C222-N234 PolarHBondContact N-O 2.95Å; C232-N234 PolarHBondContact O-N 2.78Å; C232-N234 PolarHBondContact SG-N 3.04Å
235R97.7Very high96.9Very high18 Ų1850 Ų507%0.06824%0.24CC..  trans-129.784.5172.5-63.8-174.4-175.9-84.73.2107.5C222 N223 C228 G229 C232 P233 Q238 K239C222-R235 HydrophobicContact CB-CG 4Å; C222-R235 PolarHBondContact O-NH1 3.46Å; N223-R235 PolarHBondContact O-NH1 2.96Å; N223-R235 VanDerWaalsContact O-NH1 3.16Å; N223-R235 PolarHBondContact O-NH2 2.66Å; C228-R235 PolarHBondContact O-NE 2.76Å; C228-R235 PolarHBondContact O-NH2 2.74Å; G229-R235 VanDerWaalsContact O-CD 3.31Å; G229-R235 WeakPolarHBondContact O-CD 3.49Å; G229-R235 PolarHBondContact O-NE 3.28Å; G229-R235 VanDerWaalsContact O-NE 3.15Å; C232-R235 HydrophobicContact CB-CB 4.33Å; C232-R235 HydrophobicContact CB-CG 3.79Å; C232-R235 WeakPolarHBondContact O-CB 3.39Å; C232-R235 PolarHBondContact O-N 3.16Å; P233-R235 VanDerWaalsContact C-N 3.27Å; P233-R235 PolarHBondContact O-N 3.14Å; R235-Q238 VanDerWaalsContact CB-CD 3.44Å; R235-Q238 HydrophobicContact CB-CG 3.74Å; R235-Q238 VanDerWaalsContact CD-OE1 3.27Å; R235-Q238 VanDerWaalsContact CG-CD 3.45Å; R235-Q238 HydrophobicContact CG-CG 4.32Å; R235-K239 WeakPolarHBondContact O-CD 3.45Å; R235-K239 WeakPolarHBondContact O-CE 3.19Å; R235-K239 WeakPolarHBondContact O-CG 3.15Å; R235-K239 PolarHBondContact O-NZ 2.88Å
236V98.2Very high97Very high21 Ų2143 Ų4313%0.12721%0.214CC..SBendtrans-110-58.1-176176.10000110Y205 E221 P233 K239 F269Y205-V236 HydrophobicContact CD1-CB 4.47Å; Y205-V236 HydrophobicContact CD1-CG2 4.03Å; Y205-V236 HydrophobicContact CD2-CB 4.34Å; Y205-V236 HydrophobicContact CD2-CG2 3.59Å; Y205-V236 HydrophobicContact CE1-CB 4.07Å; Y205-V236 HydrophobicContact CE1-CG1 4.38Å; Y205-V236 HydrophobicContact CE1-CG2 4.11Å; Y205-V236 HydrophobicContact CE2-CB 3.87Å; Y205-V236 HydrophobicContact CE2-CG2 3.63Å; Y205-V236 HydrophobicContact CG-CG2 3.76Å; E221-V236 WeakPolarHBondContact OE1-CA 3.3Å; E221-V236 WeakPolarHBondContact OE1-CB 3.25Å; E221-V236 PolarHBondContact OE1-N 2.95Å; E221-V236 PolarHBondContact OE2-N 3.11Å; P233-V236 WeakPolarHBondContact O-CG2 3.19Å; V236-K239 WeakPolarHBondContact O-CB 3.34Å; V236-K239 PolarHBondContact O-N 3.49Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V236-F269 HydrophobicContact CG1-CB 3.69Å; V236-F269 HydrophobicContact CG1-CG 4.38Å
237V98.2Very high97.1Very high0 Ų042.4 Ų42.40%021%0.21CC..G310 helixtrans-64.1-45.2-177.3174.70000110.4E221 K239 G240 F269 E272 V335 A348 F350E221-V237 PolarHBondContact OE1-N 2.85Å; E221-V237 PolarHBondContact OE2-N 2.96Å; V237-K239 PolarHBondContact O-N 2.91Å; V237-G240 PolarHBondContact O-N 2.81Å; V237-F269 HydrophobicContact CB-CD2 4.44Å; V237-F269 HydrophobicContact CB-CE2 4.21Å; V237-F269 HydrophobicContact CB-CZ 4.37Å; V237-F269 HydrophobicContact CG1-CE2 3.84Å; V237-F269 HydrophobicContact CG1-CZ 3.96Å; V237-F269 HydrophobicContact CG2-CD2 3.8Å; V237-F269 HydrophobicContact CG2-CE2 3.97Å; V237-F269 HydrophobicContact CG2-CG 4.27Å; V237-E272 VanDerWaalsContact CG1-CD 3.49Å; V237-E272 HydrophobicContact CG1-CG 3.72Å; V237-V335 HydrophobicContact CB-CG1 4.34Å; V237-V335 HydrophobicContact CG2-CG1 4.21Å; V237-V335 HydrophobicContact CG2-CG2 4.18Å; V237-A348 HydrophobicContact CG1-CB 4.17Å; V237-A348 HydrophobicContact CG2-CB 3.95Å; V237-F350 HydrophobicContact CG2-CE2 4.12Å; V237-F350 HydrophobicContact CG2-CZ 3.91Å
238Q97.2Very high97.3Very high52 Ų5234.9 Ų34.924%0.24318%0.182CC..G310 helixtrans-62.9-12.5177.868.8-167.9-9600114.7E221 C222 R235 G240 I337E221-Q238 WeakPolarHBondContact OE2-CG 3.24Å; E221-Q238 PolarHBondContact OE2-N 2.8Å; E221-Q238 PolarHBondContact OE2-NE2 3.22Å; C222-Q238 PolarHBondContact O-NE2 3.36Å; R235-Q238 VanDerWaalsContact CB-CD 3.44Å; R235-Q238 HydrophobicContact CB-CG 3.74Å; R235-Q238 VanDerWaalsContact CD-OE1 3.27Å; R235-Q238 VanDerWaalsContact CG-CD 3.45Å; R235-Q238 HydrophobicContact CG-CG 4.32Å; Q238-G240 PolarHBondContact O-N 2.74Å; Q238-I337 HydrophobicContact CB-CD1 3.97Å
239K97Very high97.4Very high40 Ų4036.1 Ų36.117%0.17419%0.185CC..G310 helixtrans-78.8-7.2173.4-66.8-178.5173.4140.60112.9Y230 C232 R235 V236 V237 R242Y230-K239 HydrophobicContact CE1-CD 4.35Å; Y230-K239 HydrophobicContact CE1-CG 4.28Å; Y230-K239 HydrophobicContact CE2-CG 4.03Å; Y230-K239 WeakPolarHBondContact O-CE 3.45Å; Y230-K239 PolarHBondContact O-NZ 2.78Å; C232-K239 PolarHBondContact O-NZ 3.19Å; R235-K239 WeakPolarHBondContact O-CD 3.45Å; R235-K239 WeakPolarHBondContact O-CE 3.19Å; R235-K239 WeakPolarHBondContact O-CG 3.15Å; R235-K239 PolarHBondContact O-NZ 2.88Å; V236-K239 WeakPolarHBondContact O-CB 3.34Å; V236-K239 PolarHBondContact O-N 3.49Å; V236-K239 VanDerWaalsContact O-N 3.16Å; V237-K239 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-NH1 2.72Å
240G97.4Very high97.5Very high16 Ų1633.8 Ų33.817%0.16516%0.16CC..  trans68.7-178.917800000113.7V237 Q238 R242V237-G240 PolarHBondContact O-N 2.81Å; Q238-G240 PolarHBondContact O-N 2.74Å; G240-R242 PolarHBondContact O-N 2.8Å
241I98.1Very high97.6Very high6 Ų634.7 Ų34.73%0.03117%0.173CC..  trans-61.1124.9-177.9-52.8178.8000110.5H141 L142 G143 L245 M271 I318H141-I241 HydrophobicContact CB-CB 4.18Å; H141-I241 WeakPolarHBondContact CB-O 3.45Å; L142-I241 PolarHBondContact N-O 3.06Å; G143-I241 PolarHBondContact N-O 2.77Å; I241-L245 HydrophobicContact CD1-CD1 4.34Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; I241-M271 HydrophobicContact CD1-CB 3.59Å; I241-M271 HydrophobicContact CG1-CB 3.8Å; I241-I318 HydrophobicContact CD1-CG2 3.58Å
242R97.3Very high97.5Very high105 Ų10530.7 Ų30.740%0.39615%0.152SC..  trans-100.5-16.6179-56.6-58.5-117.3-157.82.6114.2Y230 K239 G240Y230-R242 PolarHBondContact OH-NH1 3.34Å; Y230-R242 VanDerWaalsContact OH-NH1 3.08Å; K239-R242 PolarHBondContact O-NH1 2.72Å; G240-R242 PolarHBondContact O-N 2.8Å
243Y98.4Very high97.4Very high36 Ų3633.1 Ų33.114%0.14118%0.179CC..SBendtrans-96.4145.6-174.4-46.8-69.3000112.2G143 L245 E262 I264 S268 F269G143-Y243 CarbonylContact C-O 3.58Å; G143-Y243 WeakPolarHBondContact CA-O 3.42Å; Y243-L245 PolarHBondContact O-N 3.42Å; Y243-E262 VanDerWaalsContact CA-OE1 3.31Å; Y243-E262 WeakPolarHBondContact CA-OE1 3.21Å; Y243-E262 HydrophobicContact CD1-CG 3.89Å; Y243-E262 HydrophobicContact CG-CG 4.34Å; Y243-I264 HydrophobicContact CD1-CG1 4Å; Y243-I264 HydrophobicContact CD2-CD1 3.78Å; Y243-I264 HydrophobicContact CD2-CG1 3.92Å; Y243-I264 HydrophobicContact CE1-CG1 4.06Å; Y243-I264 HydrophobicContact CE2-CD1 4.05Å; Y243-I264 HydrophobicContact CE2-CG1 3.97Å; Y243-I264 HydrophobicContact CE2-CG2 4.01Å; Y243-I264 HydrophobicContact CG-CD1 4.1Å; Y243-I264 HydrophobicContact CG-CG1 3.94Å; Y243-S268 VanDerWaalsContact OH-CB 3.3Å; Y243-S268 WeakPolarHBondContact OH-CB 3.49Å; Y243-F269 VanDerWaalsContact CE2-O 3.22Å; Y243-F269 WeakPolarHBondContact CE2-O 3.47Å
244D98.7Very high97.2Very high29 Ų2933.9 Ų33.916%0.15518%0.176CC..  trans-69.3122.8165.1-76.8-3.3000109.5R144 L261 E262R144-D244 VanDerWaalsContact CB-OD1 3.25Å; R144-D244 WeakPolarHBondContact CB-OD1 3.34Å; R144-D244 WeakPolarHBondContact CG-OD1 3.43Å; R144-D244 IonicContact CZ-OD2 3.27Å; R144-D244 PolarHBondContact N-OD1 3.34Å; R144-D244 IonicContact NE-OD1 3.34Å; R144-D244 IonicContact NE-OD2 2.72Å; R144-D244 PolarHBondContact NE-OD2 3.07Å; R144-D244 IonicContact NH2-OD2 2.67Å; R144-D244 PolarHBondContact NH2-OD2 3.49Å; R144-D244 CarbonylContact O-C 3.45Å; R144-D244 WeakPolarHBondContact O-CA 3.49Å; D244-L261 HydrophobicContact CB-CB 4.08Å; D244-L261 HydrophobicContact CB-CD1 4.16Å; D244-L261 WeakPolarHBondContact O-CB 3.4Å; D244-L261 PolarHBondContact O-N 3.02Å; D244-E262 PolarHBondContact N-OE1 3.48Å
245L98.8Very high97.1Very high1 Ų134.5 Ų34.51%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-119.4151.7-177.5-60.3-178000110.6R144 I145 T146 I241 Y243 V258 R259 M271 I318 L361R144-L245 PolarHBondContact O-N 2.67Å; I145-L245 CarbonylContact C-O 3.57Å; I145-L245 WeakPolarHBondContact CA-O 3.16Å; T146-L245 PolarHBondContact N-O 3.46Å; T146-L245 PolarHBondContact OG1-O 3.42Å; I241-L245 HydrophobicContact CD1-CD1 4.34Å; I241-L245 HydrophobicContact CG2-CD1 3.86Å; I241-L245 HydrophobicContact CG2-CG 4.33Å; Y243-L245 PolarHBondContact O-N 3.42Å; L245-V258 HydrophobicContact CB-CG1 4.24Å; L245-V258 HydrophobicContact CD1-CG1 4.39Å; L245-R259 WeakPolarHBondContact CA-O 3.33Å; L245-M271 HydrophobicContact CD1-CE 3.64Å; L245-I318 HydrophobicContact CB-CD1 3.6Å; L245-I318 HydrophobicContact CD1-CD1 3.94Å; L245-I318 HydrophobicContact CD1-CG2 4.19Å; L245-I318 HydrophobicContact CG-CD1 4.43Å; L245-L361 HydrophobicContact CD2-CD1 3.87Å
246C98.8Very high97.1Very high0 Ų035.1 Ų35.10%019%0.185CC..EExtended strand (participates in β ladder)trans-124.6120.2179.5-178.80000110.2T146 F248 V258 R259 L261T146-C246 CarbonylContact O-C 3.57Å; T146-C246 WeakPolarHBondContact O-CA 3.28Å; T146-C246 WeakPolarHBondContact OG1-CA 3.34Å; T146-C246 WeakPolarHBondContact OG1-CB 3.35Å; T146-C246 PolarHBondContact OG1-SG 2.82Å; T146-C246 VanDerWaalsContact OG1-SG 3.36Å; C246-F248 PolarHBondContact O-N 2.91Å; C246-V258 CarbonylContact O-C 3.54Å; C246-V258 WeakPolarHBondContact O-CA 3.2Å; C246-R259 HydrophobicContact CB-CG 3.81Å; C246-R259 PolarHBondContact N-O 2.58Å; C246-R259 PolarHBondContact O-N 2.96Å; C246-L261 HydrophobicContact CB-CD1 4.48Å; C246-L261 HydrophobicContact CB-CD2 3.84Å; C246-L261 HydrophobicContact CB-CG 4.18Å
247I98.8Very high97.1Very high0 Ų034.1 Ų34.10%018%0.179CC..EExtended strand (participates in β ladder)trans-75.3119.3162.6-59.5168.7000106.6W131 L135 I145 T146 V147 E148 W256 G257 I318 F321W131-I247 HydrophobicContact CH2-CD1 4.06Å; W131-I247 HydrophobicContact CH2-CG2 4.08Å; W131-I247 HydrophobicContact CZ2-CD1 4.27Å; W131-I247 HydrophobicContact CZ3-CG2 4.4Å; L135-I247 HydrophobicContact CD1-CD1 3.83Å; I145-I247 HydrophobicContact CG2-CD1 3.88Å; I145-I247 HydrophobicContact CG2-CG1 4.17Å; T146-I247 PolarHBondContact O-N 3.02Å; V147-I247 WeakPolarHBondContact CA-O 3.43Å; V147-I247 HydrophobicContact CG2-CB 4.46Å; E148-I247 PolarHBondContact N-O 3.5Å; I247-W256 HydrophobicContact CG2-CB 4.33Å; I247-W256 HydrophobicContact CG2-CD2 4.25Å; I247-W256 HydrophobicContact CG2-CE3 3.73Å; I247-W256 HydrophobicContact CG2-CZ3 4.4Å; I247-G257 CarbonylContact C-O 3.58Å; I247-G257 WeakPolarHBondContact CA-O 3.18Å; I247-I318 HydrophobicContact CD1-CD1 4.49Å; I247-I318 HydrophobicContact CD1-CG1 4.21Å; I247-I318 HydrophobicContact CG1-CD1 3.99Å; I247-I318 HydrophobicContact CG1-CG1 3.91Å; I247-F321 HydrophobicContact CD1-CD2 3.64Å; I247-F321 HydrophobicContact CD1-CE2 3.72Å; I247-F321 HydrophobicContact CD1-CG 4.34Å; I247-F321 HydrophobicContact CD1-CZ 4.47Å; I247-F321 HydrophobicContact CG1-CD2 4.06Å; I247-F321 HydrophobicContact CG1-CG 4.41Å; I247-F321 HydrophobicContact CG2-CB 4.37Å; I247-F321 HydrophobicContact CG2-CD1 4.2Å; I247-F321 HydrophobicContact CG2-CD2 4.43Å; I247-F321 HydrophobicContact CG2-CG 4.07Å
248F98.7Very high97.1Very high30 Ų3034.1 Ų34.113%0.13218%0.179CC..EExtended strand (participates in β ladder)trans-130.1153.9-176.478.6-77.8000111.9E148 C246 T250 W256 G257 R259 E360E148-F248 CarbonylContact O-C 2.99Å; E148-F248 VanDerWaalsContact O-CA 3.22Å; E148-F248 WeakPolarHBondContact O-CA 3.45Å; C246-F248 PolarHBondContact O-N 2.91Å; F248-T250 HydrophobicContact CE2-CG2 4.02Å; F248-T250 HydrophobicContact CZ-CG2 4.14Å; F248-W256 VanDerWaalsContact C-CE3 3.5Å; F248-W256 CarbonylContact O-C 3.45Å; F248-W256 WeakPolarHBondContact O-CA 3.46Å; F248-G257 WeakPolarHBondContact CD1-O 3.35Å; F248-G257 PolarHBondContact N-O 2.94Å; F248-G257 PolarHBondContact O-N 2.81Å; F248-R259 HydrophobicContact CD1-CB 3.99Å; F248-R259 HydrophobicContact CD1-CG 3.74Å; F248-R259 HydrophobicContact CE1-CB 3.86Å; F248-R259 HydrophobicContact CE1-CG 4.12Å; F248-R259 HydrophobicContact CG-CG 4.43Å; F248-E360 HydrophobicContact CE1-CB 4.21Å; F248-E360 HydrophobicContact CE1-CG 3.9Å; F248-E360 HydrophobicContact CZ-CB 4.05Å; F248-E360 HydrophobicContact CZ-CG 3.86Å
249R98.2Very high97.2Very high41 Ų4134.5 Ų34.516%0.15518%0.178CC..EExtended strand (participates in β ladder)trans-83.1123.9173.8-167.671177.4-177.4-9110.5E148 N149 V151 D152 D154 G255 W256E148-R249 PolarHBondContact O-N 2.82Å; N149-R249 HydrophobicContact CB-CB 3.94Å; N149-R249 VanDerWaalsContact CG-CB 3.41Å; N149-R249 WeakPolarHBondContact OD1-CB 3.48Å; V151-R249 HydrophobicContact CB-CB 4.31Å; V151-R249 HydrophobicContact CB-CG 3.91Å; V151-R249 HydrophobicContact CG2-CB 4.26Å; V151-R249 HydrophobicContact CG2-CG 4.27Å; V151-R249 VanDerWaalsContact CG2-O 3.32Å; V151-R249 WeakPolarHBondContact CG2-O 3.45Å; D152-R249 IonicContact OD1-NE 2.67Å; D152-R249 IonicContact OD2-CZ 2.71Å; D152-R249 VanDerWaalsContact OD2-CZ 3.24Å; D152-R249 IonicContact OD2-NE 2.81Å; D152-R249 PolarHBondContact OD2-NE 3.05Å; D152-R249 IonicContact OD2-NH2 3.13Å; D152-R249 PolarHBondContact OD2-NH2 3.31Å; D154-R249 IonicContact OD2-CZ 3.87Å; D154-R249 IonicContact OD2-NH1 3.72Å; D154-R249 PolarHBondContact OD2-NH1 2.86Å; D154-R249 IonicContact OD2-NH2 3.84Å; D154-R249 PolarHBondContact OD2-NH2 2.86Å; R249-G255 WeakPolarHBondContact CD-O 3.3Å; R249-W256 HydrophobicContact CB-CE3 4.26Å; R249-W256 HydrophobicContact CB-CZ3 4.14Å
250T97.4Very high97.2Very high3 Ų332.6 Ų32.62%0.01817%0.17CC..  trans-74.3150.6174.280.10000110.6F248 D252 R254 G255F248-T250 HydrophobicContact CE2-CG2 4.02Å; F248-T250 HydrophobicContact CZ-CG2 4.14Å; T250-D252 VanDerWaalsContact CB-OD1 3.25Å; T250-D252 WeakPolarHBondContact CB-OD1 3.45Å; T250-D252 PolarHBondContact OG1-OD1 3.41Å; T250-R254 HydrophobicContact CG2-CB 4.31Å; T250-R254 PolarHBondContact OG1-N 2.9Å; T250-G255 PolarHBondContact N-O 3.45Å; T250-G255 PolarHBondContact OG1-N 3.25Å; T250-G255 PolarHBondContact OG1-O 3.29Å
251D95.3Very high97.3Very high142 Ų14235 Ų3576%0.75918%0.179SC*.SBendtrans-95.5-3.6-178.960.1-5.3000114.1V151V151-D251 HydrophobicContact CG1-CB 4.2Å; V151-D251 HydrophobicContact CG2-CB 3.95Å
252D94.2Very high97.3Very high51 Ų5138.3 Ų38.327%0.27319%0.194SC..SBendtrans-99.32.3-179.857.915.8000114.1T250 R254 K401T250-D252 VanDerWaalsContact CB-OD1 3.25Å; T250-D252 WeakPolarHBondContact CB-OD1 3.45Å; T250-D252 PolarHBondContact OG1-OD1 3.41Å; D252-R254 VanDerWaalsContact CG-NE 3.34Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 WeakPolarHBondContact OD1-CG 3.25Å; D252-R254 PolarHBondContact OD1-N 3.04Å; D252-R254 IonicContact OD1-NE 3.54Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD1-NH2 2.69Å; D252-R254 IonicContact OD2-CZ 3.92Å; D252-R254 IonicContact OD2-NE 2.86Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; D252-K401 VanDerWaalsContact O-CD 3.3Å; D252-K401 WeakPolarHBondContact O-CD 3.28Å; D252-K401 PolarHBondContact O-NZ 3.5Å
253G92.5Very high97.4Very high61 Ų6140 Ų4063%0.62920%0.204SC*.SBendtrans81.914.1178.400000115.1G255G253-G255 PolarHBondContact O-N 3.33Å
254R93.6Very high97.4Very high59 Ų5938.3 Ų38.322%0.22320%0.198CC..  trans-71.6-11.8167-68.6-176.6-73.3131.86.7113.4T250 D252 E360 K401T250-R254 HydrophobicContact CG2-CB 4.31Å; T250-R254 PolarHBondContact OG1-N 2.9Å; D252-R254 VanDerWaalsContact CG-NE 3.34Å; D252-R254 WeakPolarHBondContact OD1-CB 3.43Å; D252-R254 WeakPolarHBondContact OD1-CG 3.25Å; D252-R254 PolarHBondContact OD1-N 3.04Å; D252-R254 IonicContact OD1-NE 3.54Å; D252-R254 PolarHBondContact OD1-NE 3.46Å; D252-R254 IonicContact OD1-NH2 2.69Å; D252-R254 IonicContact OD2-CZ 3.92Å; D252-R254 IonicContact OD2-NE 2.86Å; D252-R254 PolarHBondContact OD2-NE 2.98Å; D252-R254 IonicContact OD2-NH2 3.94Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; R254-E360 IonicContact CZ-OE1 2.7Å; R254-E360 IonicContact CZ-OE2 2.72Å; R254-E360 VanDerWaalsContact NH1-CD 3.29Å; R254-E360 IonicContact NH1-OE1 3.45Å; R254-E360 PolarHBondContact NH1-OE1 3.22Å; R254-E360 IonicContact NH1-OE2 3.28Å; R254-E360 PolarHBondContact NH1-OE2 2.7Å; R254-E360 IonicContact NH2-OE1 2.69Å; R254-E360 IonicContact NH2-OE2 2.74Å; R254-E360 PolarHBondContact NH2-OE2 2.9Å; R254-K401 HydrophobicContact CG-CB 3.93Å; R254-K401 PolarHBondContact NE-O 3.23Å
255G94.5Very high97.4Very high14 Ų1443.8 Ų43.814%0.14422%0.216CC..  trans95.9-126.9174.100000111.5R249 T250 G253R249-G255 WeakPolarHBondContact CD-O 3.3Å; T250-G255 PolarHBondContact N-O 3.45Å; T250-G255 PolarHBondContact OG1-N 3.25Å; T250-G255 PolarHBondContact OG1-O 3.29Å; G253-G255 PolarHBondContact O-N 3.33Å
256W97.2Very high97.4Very high31 Ų3148.9 Ų48.912%0.11724%0.238CC..EExtended strand (participates in β ladder)trans-85.9144.9174.7-66.2104.1000110L128 V147 N149 G155 I247 F248 R249 F321 N323L128-W256 HydrophobicContact CD1-CH2 4.41Å; L128-W256 HydrophobicContact CD2-CH2 3.67Å; L128-W256 HydrophobicContact CD2-CZ2 4.14Å; V147-W256 HydrophobicContact CG1-CH2 4.36Å; V147-W256 HydrophobicContact CG1-CZ3 4.2Å; N149-W256 HydrophobicContact CB-CH2 3.74Å; N149-W256 HydrophobicContact CB-CZ3 4.08Å; G155-W256 WeakPolarHBondContact O-CZ2 3.23Å; I247-W256 HydrophobicContact CG2-CB 4.33Å; I247-W256 HydrophobicContact CG2-CD2 4.25Å; I247-W256 HydrophobicContact CG2-CE3 3.73Å; I247-W256 HydrophobicContact CG2-CZ3 4.4Å; F248-W256 VanDerWaalsContact C-CE3 3.5Å; F248-W256 CarbonylContact O-C 3.45Å; F248-W256 WeakPolarHBondContact O-CA 3.46Å; R249-W256 HydrophobicContact CB-CE3 4.26Å; R249-W256 HydrophobicContact CB-CZ3 4.14Å; W256-F321 HydrophobicContact CB-CB 4.47Å; W256-F321 HydrophobicContact CB-CD1 3.69Å; W256-F321 HydrophobicContact CB-CE1 4.47Å; W256-F321 HydrophobicContact CB-CG 4.49Å; W256-F321 HydrophobicContact CG-CD1 4.22Å; W256-N323 PolarHBondContact O-ND2 2.77Å; W256-N323 PolarHBondContact O-OD1 3.33Å
257G98Very high97.3Very high0 Ų051.2 Ų51.20%025%0.251CS..EExtended strand (participates in β ladder)trans-131170.1174.100000110.5I247 F248 F321 N323I247-G257 CarbonylContact C-O 3.58Å; I247-G257 WeakPolarHBondContact CA-O 3.18Å; F248-G257 WeakPolarHBondContact CD1-O 3.35Å; F248-G257 PolarHBondContact N-O 2.94Å; F248-G257 PolarHBondContact O-N 2.81Å; G257-F321 CarbonylContact C-O 3.54Å; G257-F321 WeakPolarHBondContact CA-O 3.37Å; G257-N323 WeakPolarHBondContact CA-ND2 3.32Å
258V98.8Very high97.3Very high0 Ų051.7 Ų51.70%025%0.254CS..EExtended strand (participates in β ladder)trans-117.4135.8171.4-174.90000108.7L245 C246 M271 I318 F321 V322 E360 L361L245-V258 HydrophobicContact CB-CG1 4.24Å; L245-V258 HydrophobicContact CD1-CG1 4.39Å; C246-V258 CarbonylContact O-C 3.54Å; C246-V258 WeakPolarHBondContact O-CA 3.2Å; V258-M271 HydrophobicContact CG1-CE 4.37Å; V258-I318 HydrophobicContact CG1-CD1 3.91Å; V258-I318 HydrophobicContact CG1-CG1 4.08Å; V258-I318 HydrophobicContact CG2-CD1 4.5Å; V258-I318 HydrophobicContact CG2-CG1 3.86Å; V258-I318 WeakPolarHBondContact CG2-O 3.45Å; V258-F321 HydrophobicContact CG2-CB 3.64Å; V258-F321 PolarHBondContact N-O 3.48Å; V258-V322 HydrophobicContact CB-CG2 4.06Å; V258-V322 HydrophobicContact CG2-CG2 3.8Å; V258-E360 CarbonylContact O-C 3.46Å; V258-E360 WeakPolarHBondContact O-CA 3.28Å; V258-E360 WeakPolarHBondContact O-CG 3.44Å; V258-L361 HydrophobicContact CG1-CD1 3.99Å; V258-L361 PolarHBondContact O-N 2.91Å
259R98.8Very high97.3Very high59 Ų5950.9 Ų50.922%0.22325%0.251CS..EExtended strand (participates in β ladder)trans-129.1153.917065.2-177.2-175.7-173.1-1.3110.5E148 L245 C246 F248 E359E148-R259 IonicContact OE1-NH2 2.77Å; E148-R259 IonicContact OE2-CZ 3.7Å; E148-R259 IonicContact OE2-NH2 3.98Å; E148-R259 PolarHBondContact OE2-NH2 2.78Å; L245-R259 WeakPolarHBondContact CA-O 3.33Å; C246-R259 HydrophobicContact CB-CG 3.81Å; C246-R259 PolarHBondContact N-O 2.58Å; C246-R259 PolarHBondContact O-N 2.96Å; F248-R259 HydrophobicContact CD1-CB 3.99Å; F248-R259 HydrophobicContact CD1-CG 3.74Å; F248-R259 HydrophobicContact CE1-CB 3.86Å; F248-R259 HydrophobicContact CE1-CG 4.12Å; F248-R259 HydrophobicContact CG-CG 4.43Å; R259-E359 VanDerWaalsContact CA-O 3.26Å; R259-E359 WeakPolarHBondContact CA-O 3.49Å; R259-E359 WeakPolarHBondContact CB-O 3.49Å
260T98.8Very high97.3Very high0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-84.6145.3172.9-176.80000111.3E262 I264 I355 R356 G358 E359 L361T260-E262 WeakPolarHBondContact CG2-O 3.32Å; T260-E262 PolarHBondContact OG1-N 3.01Å; T260-E262 PolarHBondContact OG1-O 3.41Å; T260-E262 VanDerWaalsContact OG1-O 3.05Å; T260-I264 HydrophobicContact CG2-CD1 4.04Å; T260-I264 HydrophobicContact CG2-CG1 4.28Å; T260-I355 HydrophobicContact CG2-CG2 3.78Å; T260-R356 WeakPolarHBondContact CG2-O 3.04Å; T260-G358 WeakPolarHBondContact O-CA 3.26Å; T260-G358 PolarHBondContact O-N 2.78Å; T260-E359 PolarHBondContact N-O 2.93Å; T260-L361 HydrophobicContact CG2-CD2 4.37Å
261L98.6Very high97.4Very high68 Ų6848.8 Ų48.836%0.35624%0.242SC..SBendtrans-93-1.2174.5-61.8-175.2000112.9T146 D244 C246T146-L261 HydrophobicContact CG2-CD1 4.16Å; D244-L261 HydrophobicContact CB-CB 4.08Å; D244-L261 HydrophobicContact CB-CD1 4.16Å; D244-L261 WeakPolarHBondContact O-CB 3.4Å; D244-L261 PolarHBondContact O-N 3.02Å; C246-L261 HydrophobicContact CB-CD1 4.48Å; C246-L261 HydrophobicContact CB-CD2 3.84Å; C246-L261 HydrophobicContact CB-CG 4.18Å
262E98.2Very high97.5Very high74 Ų7442.9 Ų42.935%0.34621%0.21SC..SBendtrans-141.1174.5-177.861.3-17398.900111.4Y243 D244 T260Y243-E262 VanDerWaalsContact CA-OE1 3.31Å; Y243-E262 WeakPolarHBondContact CA-OE1 3.21Å; Y243-E262 HydrophobicContact CD1-CG 3.89Å; Y243-E262 HydrophobicContact CG-CG 4.34Å; D244-E262 PolarHBondContact N-OE1 3.48Å; T260-E262 WeakPolarHBondContact CG2-O 3.32Å; T260-E262 PolarHBondContact OG1-N 3.01Å; T260-E262 PolarHBondContact OG1-O 3.41Å; T260-E262 VanDerWaalsContact OG1-O 3.05Å
263K98.6Very high97.7Very high141 Ų14140.6 Ų40.661%0.61320%0.198SC*.PPolyproline II helixtrans-79.3124.7178.8-179.6-174.9179.3-179.30109.8T354 I355K263-T354 HydrophobicContact CD-CG2 4.3Å; K263-T354 HydrophobicContact CG-CG2 4.04Å; K263-I355 WeakPolarHBondContact CA-O 3.09Å
264I98.7Very high97.9Very high0 Ų037.8 Ų37.80%017%0.168CC..BIsolated β-bridgetrans-101.3127.1171.1-57174.6000108.6Y243 T260 V270 A351 T354 I355 L361Y243-I264 HydrophobicContact CD1-CG1 4Å; Y243-I264 HydrophobicContact CD2-CD1 3.78Å; Y243-I264 HydrophobicContact CD2-CG1 3.92Å; Y243-I264 HydrophobicContact CE1-CG1 4.06Å; Y243-I264 HydrophobicContact CE2-CD1 4.05Å; Y243-I264 HydrophobicContact CE2-CG1 3.97Å; Y243-I264 HydrophobicContact CE2-CG2 4.01Å; Y243-I264 HydrophobicContact CG-CD1 4.1Å; Y243-I264 HydrophobicContact CG-CG1 3.94Å; T260-I264 HydrophobicContact CG2-CD1 4.04Å; T260-I264 HydrophobicContact CG2-CG1 4.28Å; I264-V270 HydrophobicContact CD1-CG1 4.07Å; I264-V270 HydrophobicContact CD1-CG2 4.23Å; I264-V270 HydrophobicContact CG2-CG2 4.06Å; I264-A351 HydrophobicContact CG2-CB 3.91Å; I264-T354 CarbonylContact O-C 3.52Å; I264-T354 WeakPolarHBondContact O-CA 3.01Å; I264-I355 HydrophobicContact CB-CB 4.16Å; I264-I355 PolarHBondContact N-O 3.1Å; I264-I355 PolarHBondContact O-N 3.15Å; I264-L361 HydrophobicContact CD1-CD2 4.29Å
265R98.5Very high98.1Very high144 Ų14435 Ų3554%0.54316%0.158SC..PPolyproline II helixtrans-74.8149.6177.9-62.4-179.6-176.2177.62.6110.2S268R265-S268 WeakPolarHBondContact CB-OG 3.36Å; R265-S268 VanDerWaalsContact O-CB 3.31Å; R265-S268 WeakPolarHBondContact O-CB 3.39Å; R265-S268 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-OG 3.2Å
266K98.4Very high98.2Very high109 Ų10935.4 Ų35.447%0.47416%0.156SC..THydrogen-bonded Turntrans-47.1142.8169.9177.1167179.7170.30111Q210 S268 T352 R353 T354Q210-K266 PolarHBondContact NE2-O 3.03Å; K266-S268 PolarHBondContact O-N 2.92Å; K266-T352 WeakPolarHBondContact CD-O 3.34Å; K266-T352 WeakPolarHBondContact CE-O 3.24Å; K266-T352 WeakPolarHBondContact CG-O 3.5Å; K266-R353 WeakPolarHBondContact CA-O 3.34Å; K266-T354 PolarHBondContact N-OG1 3.27Å
267N98.3Very high98.2Very high48 Ų4834 Ų3426%0.25715%0.151SC..THydrogen-bonded Turntrans61.517.4178-63.86.9000114.9Q210 V211 F350 A351Q210-N267 CarbonylContact C-O 3.6Å; Q210-N267 WeakPolarHBondContact CA-O 3.41Å; Q210-N267 HydrophobicContact CB-CB 3.99Å; V211-N267 HydrophobicContact CG1-CB 3.85Å; V211-N267 PolarHBondContact N-O 2.82Å; V211-N267 VanDerWaalsContact O-CB 3.28Å; V211-N267 WeakPolarHBondContact O-CB 3.06Å; V211-N267 PolarHBondContact O-ND2 2.77Å; N267-F350 WeakPolarHBondContact O-CD1 3.42Å; N267-A351 WeakPolarHBondContact CA-O 3.44Å; N267-A351 PolarHBondContact N-O 3.19Å
268S98.6Very high98.1Very high11 Ų1134.3 Ų34.38%0.07715%0.152CC..BIsolated β-bridgetrans-89.6142.6177.1-46.80000110.6Y243 R265 K266 F350 A351Y243-S268 VanDerWaalsContact OH-CB 3.3Å; Y243-S268 WeakPolarHBondContact OH-CB 3.49Å; R265-S268 WeakPolarHBondContact CB-OG 3.36Å; R265-S268 VanDerWaalsContact O-CB 3.31Å; R265-S268 WeakPolarHBondContact O-CB 3.39Å; R265-S268 PolarHBondContact O-N 3.45Å; R265-S268 PolarHBondContact O-OG 3.2Å; K266-S268 PolarHBondContact O-N 2.92Å; S268-F350 VanDerWaalsContact C-CD1 3.48Å; S268-F350 WeakPolarHBondContact O-CA 3.26Å; S268-A351 PolarHBondContact O-N 2.78Å
269F98.6Very high97.9Very high13 Ų1336.9 Ų36.96%0.05717%0.168CC..EExtended strand (participates in β ladder)trans-60.2137.5169.9171.3-114.3000110.2V236 V237 Y243 M271 E272 A348 F350V236-F269 HydrophobicContact CG1-CB 3.69Å; V236-F269 HydrophobicContact CG1-CG 4.38Å; V237-F269 HydrophobicContact CB-CD2 4.44Å; V237-F269 HydrophobicContact CB-CE2 4.21Å; V237-F269 HydrophobicContact CB-CZ 4.37Å; V237-F269 HydrophobicContact CG1-CE2 3.84Å; V237-F269 HydrophobicContact CG1-CZ 3.96Å; V237-F269 HydrophobicContact CG2-CD2 3.8Å; V237-F269 HydrophobicContact CG2-CE2 3.97Å; V237-F269 HydrophobicContact CG2-CG 4.27Å; Y243-F269 VanDerWaalsContact CE2-O 3.22Å; Y243-F269 WeakPolarHBondContact CE2-O 3.47Å; F269-M271 VanDerWaalsContact CE2-C 3.43Å; F269-M271 VanDerWaalsContact CE2-O 3.23Å; F269-M271 WeakPolarHBondContact CE2-O 3.34Å; F269-E272 HydrophobicContact CE2-CG 3.93Å; F269-E272 HydrophobicContact CZ-CG 3.91Å; F269-A348 HydrophobicContact CD2-CB 4.19Å; F269-A348 HydrophobicContact CE2-CB 3.95Å; F269-F350 VanDerWaalsContact CA-CD1 3.5Å; F269-F350 HydrophobicContact CB-CD1 4.02Å; F269-F350 HydrophobicContact CB-CE1 3.55Å; F269-F350 HydrophobicContact CB-CE2 4.45Å; F269-F350 HydrophobicContact CB-CZ 3.79Å; F269-F350 HydrophobicContact CD2-CE2 4.08Å; F269-F350 HydrophobicContact CD2-CZ 4.12Å; F269-F350 HydrophobicContact CG-CZ 4.38Å
270V98.7Very high97.5Very high0 Ų035.3 Ų35.30%017%0.166CC..EExtended strand (participates in β ladder)trans-115.4-55.9-176.9-176.50000111.7I264 L330 F349 A351 L361I264-V270 HydrophobicContact CD1-CG1 4.07Å; I264-V270 HydrophobicContact CD1-CG2 4.23Å; I264-V270 HydrophobicContact CG2-CG2 4.06Å; V270-L330 HydrophobicContact CB-CD2 4.06Å; V270-L330 HydrophobicContact CG1-CD2 4.25Å; V270-L330 HydrophobicContact CG2-CD2 3.67Å; V270-F349 PolarHBondContact N-O 2.71Å; V270-A351 HydrophobicContact CG2-CB 4.25Å; V270-L361 HydrophobicContact CG1-CD1 3.87Å
271M98.5Very high97.1Very high0 Ų043.1 Ų43.10%020%0.203CC..EExtended strand (participates in β ladder)trans-164.3171.9-179.667.5-173.478.400110.5I241 L245 V258 F269 I318 V322 F349 L361I241-M271 HydrophobicContact CD1-CB 3.59Å; I241-M271 HydrophobicContact CG1-CB 3.8Å; L245-M271 HydrophobicContact CD1-CE 3.64Å; V258-M271 HydrophobicContact CG1-CE 4.37Å; F269-M271 VanDerWaalsContact CE2-C 3.43Å; F269-M271 VanDerWaalsContact CE2-O 3.23Å; F269-M271 WeakPolarHBondContact CE2-O 3.34Å; M271-I318 HydrophobicContact CE-CG2 4.31Å; M271-I318 HydrophobicContact SD-CG2 3.82Å; M271-V322 HydrophobicContact CE-CG2 4.19Å; M271-V322 HydrophobicContact SD-CG2 3.8Å; M271-F349 HydrophobicContact CG-CB 4.32Å; M271-F349 HydrophobicContact CG-CD2 3.63Å; M271-F349 HydrophobicContact CG-CE2 4.46Å; M271-F349 HydrophobicContact CG-CG 4.41Å; M271-F349 PolarHBondContact O-N 3.44Å; M271-F349 HydrophobicContact SD-CD2 4.19Å; M271-L361 HydrophobicContact CE-CD1 3.54Å
272E98.2Very high96.9Very high17 Ų1742 Ų428%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-104156.4170.1-70.6173.289.600111.2V237 F269 V274 N317 S319 R346 I347 A348V237-E272 VanDerWaalsContact CG1-CD 3.49Å; V237-E272 HydrophobicContact CG1-CG 3.72Å; F269-E272 HydrophobicContact CE2-CG 3.93Å; F269-E272 HydrophobicContact CZ-CG 3.91Å; E272-V274 HydrophobicContact CB-CG2 3.88Å; E272-N317 PolarHBondContact O-ND2 2.88Å; E272-N317 PolarHBondContact O-OD1 2.74Å; E272-S319 WeakPolarHBondContact O-CB 3.23Å; E272-R346 IonicContact OE1-CZ 3.61Å; E272-R346 IonicContact OE1-NE 3.37Å; E272-R346 PolarHBondContact OE1-NE 2.81Å; E272-R346 IonicContact OE1-NH2 2.77Å; E272-R346 PolarHBondContact OE1-NH2 2.67Å; E272-R346 IonicContact OE2-CZ 2.93Å; E272-R346 IonicContact OE2-NH2 3.32Å; E272-R346 PolarHBondContact OE2-NH2 2.82Å; E272-I347 CarbonylContact C-O 3.56Å; E272-I347 WeakPolarHBondContact CA-O 3.38Å; E272-I347 WeakPolarHBondContact CB-O 3.47Å; E272-A348 HydrophobicContact CG-CB 4.45Å
273Y97.4Very high96.6Very high3 Ų338.6 Ų38.61%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-90.2111.8164.9-163.8-87.5000109.8Y166 Y297 F299 V310 A312 S319 I347 F349 M379Y166-Y273 VanDerWaalsContact CE1-O 3.24Å; Y166-Y273 WeakPolarHBondContact CE1-O 3.28Å; Y166-Y273 PolarHBondContact OH-O 3.09Å; Y166-Y273 VanDerWaalsContact OH-O 3.09Å; Y273-Y297 PolarHBondContact OH-O 2.76Å; Y273-F299 HydrophobicContact CD1-CB 3.92Å; Y273-F299 HydrophobicContact CD1-CD2 4.24Å; Y273-F299 HydrophobicContact CD1-CG 4.19Å; Y273-F299 HydrophobicContact CE1-CB 3.59Å; Y273-F299 HydrophobicContact CE1-CD2 4.37Å; Y273-F299 HydrophobicContact CE1-CG 4.28Å; Y273-F299 HydrophobicContact CG-CD2 4.32Å; Y273-V310 HydrophobicContact CD1-CB 4.36Å; Y273-V310 HydrophobicContact CD1-CG1 3.9Å; Y273-V310 HydrophobicContact CE1-CB 4.39Å; Y273-V310 HydrophobicContact CE1-CG1 3.96Å; Y273-A312 HydrophobicContact CE1-CB 3.83Å; Y273-A312 WeakPolarHBondContact OH-CB 3.44Å; Y273-S319 WeakPolarHBondContact CA-OG 3.42Å; Y273-S319 WeakPolarHBondContact CD2-OG 3.35Å; Y273-I347 PolarHBondContact N-O 2.97Å; Y273-F349 HydrophobicContact CD2-CE2 4.17Å; Y273-F349 AromaticContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CG-CZ 4.29Å; Y273-M379 HydrophobicContact CE2-CE 4.5Å
274V97.5Very high96.2Very high2 Ų236.1 Ų36.11%0.01217%0.171CC..  trans-122.7139-172.7179.60000110.2I163 E165 Y166 E272 G316 N317I163-V274 HydrophobicContact CD1-CG1 3.71Å; I163-V274 HydrophobicContact CG1-CG1 3.91Å; E165-V274 VanDerWaalsContact O-CG1 3.29Å; E165-V274 WeakPolarHBondContact O-CG1 3.36Å; Y166-V274 HydrophobicContact CD1-CG1 4.14Å; E272-V274 HydrophobicContact CB-CG2 3.88Å; V274-G316 VanDerWaalsContact O-CA 3.24Å; V274-G316 WeakPolarHBondContact O-CA 3.42Å; V274-N317 HydrophobicContact CB-CB 4.2Å; V274-N317 WeakPolarHBondContact CG2-ND2 3.49Å
275G97.4Very high95.9Very high0 Ų042.2 Ų42.20%019%0.194CC..  trans-163.6-160.9176.700000112.7R167 V310 D311 Y315R167-G275 PolarHBondContact N-O 3.02Å; G275-V310 VanDerWaalsContact N-CG1 3.31Å; G275-D311 WeakPolarHBondContact CA-O 3.14Å; G275-Y315 VanDerWaalsContact CA-O 3.26Å; G275-Y315 WeakPolarHBondContact CA-O 3.24Å
276E97.1Very high95.5Very high23 Ų2337.6 Ų37.611%0.10718%0.176CC..EExtended strand (participates in β ladder)trans-81.1125.5166.9-172.5174.4-12500109.8R167 I278 R286 V310 D311R167-E276 HydrophobicContact CB-CB 4.48Å; R167-E276 IonicContact NH1-OE1 2.69Å; R167-E276 CarbonylContact O-C 3.59Å; R167-E276 VanDerWaalsContact O-CA 3.23Å; R167-E276 WeakPolarHBondContact O-CA 3.39Å; E276-I278 HydrophobicContact CG-CG2 3.95Å; E276-R286 IonicContact OE2-CZ 3.89Å; E276-R286 VanDerWaalsContact OE2-CZ 3.28Å; E276-R286 IonicContact OE2-NH1 3.22Å; E276-R286 PolarHBondContact OE2-NH1 2.88Å; E276-R286 IonicContact OE2-NH2 2.86Å; E276-R286 PolarHBondContact OE2-NH2 3.38Å; E276-V310 CarbonylContact O-C 3.37Å; E276-V310 WeakPolarHBondContact O-CA 3.39Å; E276-D311 PolarHBondContact N-O 2.78Å; E276-D311 PolarHBondContact O-N 3.14Å
277I96.6Very high94.9Very high1 Ų132.7 Ų32.71%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-79.1123.1170.9-54.3179.5000107.6Y166 R167 G169 I172 Y308 T309 L344Y166-I277 HydrophobicContact CD1-CD1 4.34Å; Y166-I277 HydrophobicContact CD1-CG1 4.04Å; Y166-I277 HydrophobicContact CD2-CD1 3.69Å; Y166-I277 HydrophobicContact CD2-CG1 4.29Å; Y166-I277 HydrophobicContact CE2-CD1 4.39Å; Y166-I277 HydrophobicContact CG-CD1 3.69Å; Y166-I277 HydrophobicContact CG-CG1 3.85Å; R167-I277 PolarHBondContact O-N 3.05Å; G169-I277 WeakPolarHBondContact CA-O 3.19Å; G169-I277 PolarHBondContact N-O 3.46Å; I172-I277 HydrophobicContact CD1-CB 4.46Å; I172-I277 HydrophobicContact CD1-CG2 3.85Å; I172-I277 WeakPolarHBondContact CD1-O 3.22Å; I172-I277 HydrophobicContact CG2-CG2 4.44Å; I277-Y308 HydrophobicContact CG2-CD1 4.42Å; I277-Y308 HydrophobicContact CG2-CG 4.43Å; I277-T309 WeakPolarHBondContact CA-O 3.34Å; I277-L344 HydrophobicContact CD1-CD2 4.15Å; I277-L344 HydrophobicContact CG2-CD2 3.69Å
278I95.6Very high94.2Very high7 Ų735.5 Ų35.54%0.03617%0.168CC..EExtended strand (participates in β ladder)trans-127.7165.8177.356.8177.1000109.6E276 E282 A283 L298 Y308 T309 D311E276-I278 HydrophobicContact CG-CG2 3.95Å; I278-E282 HydrophobicContact CB-CB 4.16Å; I278-E282 HydrophobicContact CB-CG 3.94Å; I278-E282 HydrophobicContact CD1-CB 4.49Å; I278-E282 HydrophobicContact CD1-CG 4.08Å; I278-E282 HydrophobicContact CG2-CG 4.09Å; I278-A283 HydrophobicContact CD1-CB 3.81Å; I278-A283 HydrophobicContact CG1-CB 4.22Å; I278-L298 HydrophobicContact CD1-CD2 4.28Å; I278-Y308 CarbonylContact O-C 3.59Å; I278-Y308 VanDerWaalsContact O-CA 3.3Å; I278-Y308 WeakPolarHBondContact O-CA 3.38Å; I278-T309 WeakPolarHBondContact CG1-O 3.39Å; I278-T309 PolarHBondContact N-O 2.87Å; I278-T309 PolarHBondContact O-N 3.13Å; I278-D311 HydrophobicContact CD1-CB 3.72Å; I278-D311 HydrophobicContact CG1-CB 4.28Å
279T94.4Very high93.5Very high55 Ų5538 Ų3834%0.33718%0.18SC..EExtended strand (participates in β ladder)trans-71.7153.8170.959.10000110.2E281 E282 A283 V307 Y308T279-E281 PolarHBondContact O-N 3.24Å; T279-E282 PolarHBondContact O-N 3.3Å; T279-E282 WeakPolarHBondContact OG1-CB 3.45Å; T279-E282 PolarHBondContact OG1-N 3.22Å; T279-A283 PolarHBondContact O-N 2.88Å; T279-V307 WeakPolarHBondContact CA-O 3.42Å; T279-Y308 HydrophobicContact CG2-CE1 4.45Å
280S90.3Very high92.8Very high25 Ų2539.1 Ų39.118%0.17518%0.184CC..Hα-helixtrans-58.6-30.1175.3-50.20000112.2A283 E284 D306 V307 Y308S280-A283 WeakPolarHBondContact O-CB 3.33Å; S280-A283 PolarHBondContact O-N 2.86Å; S280-E284 PolarHBondContact O-N 3Å; S280-D306 WeakPolarHBondContact CB-OD1 3.43Å; S280-D306 PolarHBondContact OG-O 3.2Å; S280-D306 PolarHBondContact OG-OD1 2.81Å; S280-V307 PolarHBondContact N-O 2.83Å; S280-V307 PolarHBondContact OG-O 2.87Å; S280-Y308 PolarHBondContact OG-N 3.02Å
281E91.5Very high91.6Very high164 Ų16442.7 Ų42.777%0.76620%0.203SC*.Hα-helixtrans-63.2-45.5172.4-176.8-176.7-177.200112.5T279 A283 E284 R285T279-E281 PolarHBondContact O-N 3.24Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-E284 PolarHBondContact O-N 2.8Å; E281-R285 PolarHBondContact O-N 3.24Å; E281-R285 VanDerWaalsContact O-N 3.11Å
282E93.3Very high90.4Very high46 Ų4652.1 Ų52.122%0.21524%0.239CC..Hα-helixtrans-69.3-34176.8174.760.7-174.100111.1I278 T279 R285 R286I278-E282 HydrophobicContact CB-CB 4.16Å; I278-E282 HydrophobicContact CB-CG 3.94Å; I278-E282 HydrophobicContact CD1-CB 4.49Å; I278-E282 HydrophobicContact CD1-CG 4.08Å; I278-E282 HydrophobicContact CG2-CG 4.09Å; T279-E282 PolarHBondContact O-N 3.3Å; T279-E282 WeakPolarHBondContact OG1-CB 3.45Å; T279-E282 PolarHBondContact OG1-N 3.22Å; E282-R285 PolarHBondContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.18Å; E282-R285 IonicContact OE1-NE 3.58Å; E282-R285 IonicContact OE1-NH2 3.5Å; E282-R285 PolarHBondContact OE1-NH2 2.83Å; E282-R285 IonicContact OE2-CZ 2.7Å; E282-R285 IonicContact OE2-NE 2.65Å; E282-R285 PolarHBondContact OE2-NE 3.17Å; E282-R285 IonicContact OE2-NH2 3.71Å; E282-R285 PolarHBondContact OE2-NH2 3.47Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.89Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NE 2.89Å; E282-R286 PolarHBondContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH2 2.78Å; E282-R286 PolarHBondContact OE1-NH2 2.95Å
283A92.2Very high89.2Confident2 Ų258 Ų582%0.01727%0.266CS..Hα-helixtrans-61.8-48.6174.200000111.5I278 T279 S280 E281 R285 R286 G287 L298 T309I278-A283 HydrophobicContact CD1-CB 3.81Å; I278-A283 HydrophobicContact CG1-CB 4.22Å; T279-A283 PolarHBondContact O-N 2.88Å; S280-A283 WeakPolarHBondContact O-CB 3.33Å; S280-A283 PolarHBondContact O-N 2.86Å; E281-A283 VanDerWaalsContact C-N 3.31Å; A283-R285 VanDerWaalsContact C-N 3.33Å; A283-R285 PolarHBondContact O-N 2.64Å; A283-R286 CarbonylContact O-C 3.58Å; A283-R286 PolarHBondContact O-N 3.3Å; A283-G287 WeakPolarHBondContact O-CA 3.26Å; A283-G287 PolarHBondContact O-N 3.23Å; A283-L298 HydrophobicContact CB-CD1 4.35Å; A283-L298 HydrophobicContact CB-CD2 4.3Å; A283-L298 WeakPolarHBondContact O-CD1 3.23Å; A283-T309 HydrophobicContact CB-CG2 3.75Å; A283-T309 WeakPolarHBondContact CB-OG1 3.34Å
284E89.6Confident87.9Confident88 Ų8859.9 Ų59.941%0.41129%0.286SS..Hα-helixtrans-57.6-45.5174.8173.157.1-141.700111.2S280 E281 R286 G287 Q288S280-E284 PolarHBondContact O-N 3Å; E281-E284 PolarHBondContact O-N 2.8Å; E284-R286 VanDerWaalsContact C-N 3.33Å; E284-R286 PolarHBondContact O-N 3.35Å; E284-G287 PolarHBondContact O-N 3.02Å; E284-Q288 WeakPolarHBondContact O-CG 3.39Å; E284-Q288 PolarHBondContact O-N 3.47Å; E284-Q288 PolarHBondContact OE1-NE2 3.47Å
285R92.2Very high86.8Confident129 Ų12960.4 Ų60.449%0.48729%0.291SS..Hα-helixtrans-60.3-41.1177.6-166-166.467.873.31.3112.3E281 E282 A283E281-R285 PolarHBondContact O-N 3.24Å; E281-R285 VanDerWaalsContact O-N 3.11Å; E282-R285 PolarHBondContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.18Å; E282-R285 IonicContact OE1-NE 3.58Å; E282-R285 IonicContact OE1-NH2 3.5Å; E282-R285 PolarHBondContact OE1-NH2 2.83Å; E282-R285 IonicContact OE2-CZ 2.7Å; E282-R285 IonicContact OE2-NE 2.65Å; E282-R285 PolarHBondContact OE2-NE 3.17Å; E282-R285 IonicContact OE2-NH2 3.71Å; E282-R285 PolarHBondContact OE2-NH2 3.47Å; A283-R285 VanDerWaalsContact C-N 3.33Å; A283-R285 PolarHBondContact O-N 2.64Å
286R91.6Very high86Confident47 Ų4761.4 Ų61.418%0.17730%0.297CS..Hα-helixtrans-75.5-37.2176.9-69.5-175.3-172.2-170.28.6112.2E276 E282 A283 E284 Q288 I289 Y290 D311E276-R286 IonicContact OE2-CZ 3.89Å; E276-R286 VanDerWaalsContact OE2-CZ 3.28Å; E276-R286 IonicContact OE2-NH1 3.22Å; E276-R286 PolarHBondContact OE2-NH1 2.88Å; E276-R286 IonicContact OE2-NH2 2.86Å; E276-R286 PolarHBondContact OE2-NH2 3.38Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 2.89Å; E282-R286 IonicContact OE1-CZ 3.24Å; E282-R286 IonicContact OE1-NE 2.89Å; E282-R286 PolarHBondContact OE1-NE 3.22Å; E282-R286 IonicContact OE1-NH2 2.78Å; E282-R286 PolarHBondContact OE1-NH2 2.95Å; A283-R286 CarbonylContact O-C 3.58Å; A283-R286 PolarHBondContact O-N 3.3Å; E284-R286 VanDerWaalsContact C-N 3.33Å; E284-R286 PolarHBondContact O-N 3.35Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 2.77Å; R286-I289 WeakPolarHBondContact O-CA 3.19Å; R286-I289 VanDerWaalsContact O-CB 3.28Å; R286-I289 WeakPolarHBondContact O-CB 3.29Å; R286-I289 PolarHBondContact O-N 3.29Å; R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CB-CE2 3.72Å; R286-Y290 PolarHBondContact O-N 3.41Å; R286-Y290 VanDerWaalsContact O-N 3.12Å; R286-D311 WeakPolarHBondContact CD-OD2 3.5Å; R286-D311 IonicContact CZ-OD2 3.45Å; R286-D311 IonicContact NE-OD2 3.69Å; R286-D311 IonicContact NH1-OD2 3.23Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å
287G85.4Confident85.6Confident5 Ų563.4 Ų63.45%0.05230%0.304CS..Hα-helixtrans-54.9-42.9178.900000111.9A283 E284 I289 Y290 D291A283-G287 WeakPolarHBondContact O-CA 3.26Å; A283-G287 PolarHBondContact O-N 3.23Å; E284-G287 PolarHBondContact O-N 3.02Å; G287-I289 PolarHBondContact O-N 3.09Å; G287-Y290 CarbonylContact O-C 3.58Å; G287-Y290 PolarHBondContact O-N 3.46Å; G287-D291 WeakPolarHBondContact O-CB 3.28Å; G287-D291 VanDerWaalsContact O-CG 3.23Å; G287-D291 PolarHBondContact O-N 3.02Å
288Q83Confident85.3Confident107 Ų10763.9 Ų63.950%0.531%0.307SS..Hα-helixtrans-57.8-23.9174.2-66.6173.519.800114.4E284 R286 R292E284-Q288 WeakPolarHBondContact O-CG 3.39Å; E284-Q288 PolarHBondContact O-N 3.47Å; E284-Q288 PolarHBondContact OE1-NE2 3.47Å; R286-Q288 VanDerWaalsContact C-N 3.29Å; R286-Q288 PolarHBondContact O-N 2.77Å; Q288-R292 PolarHBondContact O-NE 3.43Å
289I84.4Confident85.1Confident64 Ų6463.6 Ų63.633%0.32831%0.305SS..Hα-helixtrans-84.3-43.1173.3-56.2171.4000109.9R286 G287 R292 Q293R286-I289 WeakPolarHBondContact O-CA 3.19Å; R286-I289 VanDerWaalsContact O-CB 3.28Å; R286-I289 WeakPolarHBondContact O-CB 3.29Å; R286-I289 PolarHBondContact O-N 3.29Å; G287-I289 PolarHBondContact O-N 3.09Å; I289-R292 PolarHBondContact O-N 3.12Å; I289-Q293 WeakPolarHBondContact O-CG 3.1Å; I289-Q293 PolarHBondContact O-N 3.03Å
290Y83.9Confident84.9Confident36 Ų3661.7 Ų61.714%0.14129%0.293CS..Hα-helixtrans-68.4-37.9-178.9-58.3-29.7000113.3R286 G287 R292 Q293 G294 A295 L298 D311 A313R286-Y290 HydrophobicContact CB-CD2 4.33Å; R286-Y290 HydrophobicContact CB-CE2 3.72Å; R286-Y290 PolarHBondContact O-N 3.41Å; R286-Y290 VanDerWaalsContact O-N 3.12Å; G287-Y290 CarbonylContact O-C 3.58Å; G287-Y290 PolarHBondContact O-N 3.46Å; Y290-R292 VanDerWaalsContact C-N 3.26Å; Y290-R292 PolarHBondContact O-N 2.94Å; Y290-Q293 CarbonylContact O-C 3.18Å; Y290-Q293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q293 WeakPolarHBondContact O-CB 3.47Å; Y290-Q293 PolarHBondContact O-N 3.06Å; Y290-G294 PolarHBondContact O-N 2.94Å; Y290-A295 PolarHBondContact O-N 3Å; Y290-A295 VanDerWaalsContact O-N 3.13Å; Y290-L298 HydrophobicContact CD2-CD1 4.2Å; Y290-L298 HydrophobicContact CD2-CD2 4.37Å; Y290-L298 HydrophobicContact CD2-CG 4.1Å; Y290-L298 HydrophobicContact CE2-CD2 4.06Å; Y290-L298 HydrophobicContact CE2-CG 4.3Å; Y290-D311 PolarHBondContact OH-OD2 2.97Å; Y290-D311 VanDerWaalsContact OH-OD2 3.05Å; Y290-A313 HydrophobicContact CE1-CB 3.98Å; Y290-A313 HydrophobicContact CE2-CB 4.1Å; Y290-A313 WeakPolarHBondContact OH-CB 3.34Å
291D73.9Confident84.8Confident75 Ų7560.5 Ų60.540%0.40128%0.284SS..G310 helixtrans-55.6-42.8173.5-72.2-1.2000111.8G287 Q293 G294 F383G287-D291 WeakPolarHBondContact O-CB 3.28Å; G287-D291 VanDerWaalsContact O-CG 3.23Å; G287-D291 PolarHBondContact O-N 3.02Å; D291-Q293 PolarHBondContact O-N 3.36Å; D291-G294 PolarHBondContact O-N 2.84Å; D291-F383 HydrophobicContact CB-CE2 4.48Å; D291-F383 WeakPolarHBondContact OD1-CD2 3.2Å; D291-F383 WeakPolarHBondContact OD1-CE2 3.17Å
292R72.4Confident84.4Confident199 Ų19955.1 Ų55.175%0.75126%0.261SS*.G310 helixtrans-67-21.3177-71.4-176.3-76.8167-6.8112.7Q288 I289 Y290Q288-R292 PolarHBondContact O-NE 3.43Å; I289-R292 PolarHBondContact O-N 3.12Å; Y290-R292 VanDerWaalsContact C-N 3.26Å; Y290-R292 PolarHBondContact O-N 2.94Å
293Q73Confident83.9Confident139 Ų13954.1 Ų54.165%0.6526%0.256SS*.G310 helixtrans-98.2-7.4178.4-62.7177.112.700112.5I289 Y290 D291 A295I289-Q293 WeakPolarHBondContact O-CG 3.1Å; I289-Q293 PolarHBondContact O-N 3.03Å; Y290-Q293 CarbonylContact O-C 3.18Å; Y290-Q293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q293 WeakPolarHBondContact O-CB 3.47Å; Y290-Q293 PolarHBondContact O-N 3.06Å; D291-Q293 PolarHBondContact O-N 3.36Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 HydrophobicContact CB-CB 4.39Å
294G70.5Confident83.5Confident43 Ų4357.1 Ų57.144%0.44327%0.274SS..THydrogen-bonded Turntrans66.332.1-176.100000113.2Y290 D291Y290-G294 PolarHBondContact O-N 2.94Å; D291-G294 PolarHBondContact O-N 2.84Å
295A74.3Confident83.2Confident13 Ų1358.3 Ų58.311%0.10728%0.279CS..  trans-114138-173.200000111.6Y290 Q293 Y297 F383Y290-A295 PolarHBondContact O-N 3Å; Y290-A295 VanDerWaalsContact O-N 3.13Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 HydrophobicContact CB-CB 4.39Å; A295-Y297 HydrophobicContact CB-CD2 4.08Å; A295-Y297 HydrophobicContact CB-CE2 3.55Å; A295-F383 WeakPolarHBondContact O-CE2 3.42Å
296T80.5Confident82.8Confident21 Ų2156.8 Ų56.813%0.12928%0.281CS..  trans-126.995.1-172.359.30000109.8Y365 M379 F383 F412T296-Y365 VanDerWaalsContact OG1-CE2 3.3Å; T296-Y365 WeakPolarHBondContact OG1-CE2 3.46Å; T296-M379 WeakPolarHBondContact O-CE 3.27Å; T296-F383 HydrophobicContact CG2-CD1 4.39Å; T296-F383 HydrophobicContact CG2-CD2 4Å; T296-F383 HydrophobicContact CG2-CE1 4.23Å; T296-F383 HydrophobicContact CG2-CE2 3.8Å; T296-F383 HydrophobicContact CG2-CG 4.28Å; T296-F383 HydrophobicContact CG2-CZ 3.92Å; T296-F412 HydrophobicContact CG2-CE2 3.42Å; T296-F412 VanDerWaalsContact CG2-CE2 3.42Å; T296-F412 HydrophobicContact CG2-CZ 3.43Å; T296-F412 VanDerWaalsContact CG2-CZ 3.43Å
297Y89Confident82.7Confident65 Ų6556.6 Ų56.626%0.25528%0.284SS..  trans-128.4-3.3-177.8-53.6-61.5000113.9Y273 A295 A312 A313 H320Y273-Y297 PolarHBondContact OH-O 2.76Å; A295-Y297 HydrophobicContact CB-CD2 4.08Å; A295-Y297 HydrophobicContact CB-CE2 3.55Å; Y297-A312 PolarHBondContact O-N 3.31Å; Y297-A313 HydrophobicContact CD2-CB 3.52Å; Y297-A313 HydrophobicContact CE2-CB 4.32Å; Y297-A313 HydrophobicContact CG-CB 4.03Å; Y297-H320 AromaticContact CD1-CE1 3.6Å; Y297-H320 AromaticContact CD1-ND1 3.65Å; Y297-H320 AromaticContact CE1-CE1 3.22Å; Y297-H320 WeakPolarHBondContact CE1-CE1 3.3Å; Y297-H320 AromaticContact CE1-ND1 3.69Å; Y297-H320 AromaticContact CE1-NE2 3.65Å; Y297-H320 AromaticContact CZ-CE1 3.59Å; Y297-H320 AromaticContact CZ-NE2 3.98Å
298L90.6Very high83.1Confident12 Ų1257.8 Ų57.86%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-83.9130.2177-62.1178.9000109.5I278 A283 Y290 T309 V310 D311 M379 D380I278-L298 HydrophobicContact CD1-CD2 4.28Å; A283-L298 HydrophobicContact CB-CD1 4.35Å; A283-L298 HydrophobicContact CB-CD2 4.3Å; A283-L298 WeakPolarHBondContact O-CD1 3.23Å; Y290-L298 HydrophobicContact CD2-CD1 4.2Å; Y290-L298 HydrophobicContact CD2-CD2 4.37Å; Y290-L298 HydrophobicContact CD2-CG 4.1Å; Y290-L298 HydrophobicContact CE2-CD2 4.06Å; Y290-L298 HydrophobicContact CE2-CG 4.3Å; L298-T309 HydrophobicContact CB-CG2 3.87Å; L298-T309 HydrophobicContact CD2-CG2 4.05Å; L298-T309 HydrophobicContact CG-CG2 4.49Å; L298-V310 CarbonylContact C-O 3.59Å; L298-V310 WeakPolarHBondContact CA-O 3.3Å; L298-D311 HydrophobicContact CD2-CB 3.75Å; L298-M379 WeakPolarHBondContact O-CG 3.34Å; L298-D380 HydrophobicContact CB-CB 4.39Å
299F90.7Very high83.6Confident0 Ų052.7 Ų52.70%026%0.264CS..EExtended strand (participates in β ladder)trans-130.5112.3177.6-168.1-65.8000108.7Y273 L301 T309 V310 V332 I347 F363 M367 T377Y273-F299 HydrophobicContact CD1-CB 3.92Å; Y273-F299 HydrophobicContact CD1-CD2 4.24Å; Y273-F299 HydrophobicContact CD1-CG 4.19Å; Y273-F299 HydrophobicContact CE1-CB 3.59Å; Y273-F299 HydrophobicContact CE1-CD2 4.37Å; Y273-F299 HydrophobicContact CE1-CG 4.28Å; Y273-F299 HydrophobicContact CG-CD2 4.32Å; F299-L301 HydrophobicContact CD1-CD2 4.47Å; F299-T309 CarbonylContact O-C 3.59Å; F299-T309 WeakPolarHBondContact O-CA 3.39Å; F299-T309 WeakPolarHBondContact O-CG2 3.3Å; F299-V310 HydrophobicContact CB-CB 4.36Å; F299-V310 PolarHBondContact N-O 2.99Å; F299-V310 PolarHBondContact O-N 2.92Å; F299-V332 HydrophobicContact CE2-CG2 4.48Å; F299-V332 HydrophobicContact CZ-CG1 3.98Å; F299-V332 HydrophobicContact CZ-CG2 4.33Å; F299-I347 HydrophobicContact CD1-CD1 4.42Å; F299-I347 HydrophobicContact CD1-CG1 4.13Å; F299-I347 HydrophobicContact CE1-CD1 3.84Å; F299-I347 HydrophobicContact CE1-CG1 3.92Å; F299-I347 HydrophobicContact CE1-CG2 3.96Å; F299-I347 HydrophobicContact CE2-CG2 4.17Å; F299-I347 HydrophobicContact CZ-CG2 3.8Å; F299-F363 HydrophobicContact CE2-CE2 4.3Å; F299-M367 HydrophobicContact CE2-SD 3.86Å; F299-M367 HydrophobicContact CZ-CE 4.3Å; F299-M367 HydrophobicContact CZ-SD 3.49Å; F299-M367 WeakPolarHBondContact CZ-SD 3.3Å; F299-T377 HydrophobicContact CE1-CG2 3.96Å
300D90.2Very high84.1Confident15 Ų1549.7 Ų49.78%0.0825%0.248CC..EExtended strand (participates in β ladder)trans-77137.2-174.3-61.2-32.2000110.8D302 T309 R378 D380D300-D302 PolarHBondContact O-N 3.03Å; D300-T309 VanDerWaalsContact OD1-CG2 3.23Å; D300-T309 WeakPolarHBondContact OD1-CG2 3.48Å; D300-T309 PolarHBondContact OD1-OG1 3.19Å; D300-R378 PolarHBondContact N-O 3.18Å; D300-D380 WeakPolarHBondContact OD2-CA 3.44Å; D300-D380 WeakPolarHBondContact OD2-CB 3.4Å
301L88.7Confident84.7Confident0 Ų048 Ų480%024%0.242CC..  trans-93.846.6179.2-58-177.4000110.8F299 Y303 Y308 V310 L344 P345 I347F299-L301 HydrophobicContact CD1-CD2 4.47Å; L301-Y303 PolarHBondContact O-N 2.98Å; L301-Y308 VanDerWaalsContact CB-O 3.28Å; L301-Y308 WeakPolarHBondContact CB-O 3.15Å; L301-Y308 PolarHBondContact N-O 2.83Å; L301-V310 HydrophobicContact CD1-CG2 3.91Å; L301-V310 HydrophobicContact CD2-CG2 3.78Å; L301-V310 HydrophobicContact CG-CG2 4.02Å; L301-L344 HydrophobicContact CD1-CD2 4.22Å; L301-P345 HydrophobicContact CB-CG 4.45Å; L301-P345 HydrophobicContact CD2-CG 4.25Å; L301-I347 HydrophobicContact CD2-CD1 3.65Å; L301-I347 HydrophobicContact CD2-CG1 3.63Å
302D83.6Confident85.7Confident51 Ų5144.5 Ų44.527%0.27322%0.223SC..THydrogen-bonded Turntrans-79.325-172.171.93.3000114.6D300 V304 D306 T377D300-D302 PolarHBondContact O-N 3.03Å; D302-V304 VanDerWaalsContact C-N 3.28Å; D302-V304 PolarHBondContact O-N 3.19Å; D302-D306 HydrophobicContact CB-CB 4.28Å; D302-T377 WeakPolarHBondContact OD1-CA 3.5Å; D302-T377 PolarHBondContact OD1-N 2.78Å; D302-T377 VanDerWaalsContact OD1-N 3.13Å
303Y82.1Confident86.7Confident26 Ų2635.8 Ų35.810%0.10219%0.194CC..THydrogen-bonded Turntrans-58.4-38.4-178.2175-112.3000112.9P218 L301 N334 F336 E342P218-Y303 HydrophobicContact CB-CE1 4.39Å; P218-Y303 HydrophobicContact CB-CE2 4.47Å; P218-Y303 VanDerWaalsContact CD-OH 3.27Å; P218-Y303 WeakPolarHBondContact CD-OH 3.31Å; P218-Y303 WeakPolarHBondContact CG-OH 3.5Å; L301-Y303 PolarHBondContact O-N 2.98Å; Y303-N334 HydrophobicContact CD2-CB 4.29Å; Y303-N334 WeakPolarHBondContact CD2-ND2 3.15Å; Y303-N334 HydrophobicContact CG-CB 4.32Å; Y303-F336 HydrophobicContact CD1-CE2 4.25Å; Y303-F336 AromaticContact CD1-CZ 3.87Å; Y303-F336 HydrophobicContact CD1-CZ 3.87Å; Y303-F336 AromaticContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CZ 4.01Å; Y303-E342 HydrophobicContact CD1-CB 4.26Å; Y303-E342 HydrophobicContact CE1-CB 4.32Å; Y303-E342 HydrophobicContact CE1-CG 4.47Å
304V84.6Confident87.7Confident65 Ų6534.4 Ų34.439%0.39418%0.183SC..SBendtrans-120.6-42.9173.2-68.60000112.4D302 E342 R343D302-V304 VanDerWaalsContact C-N 3.28Å; D302-V304 PolarHBondContact O-N 3.19Å; V304-E342 HydrophobicContact CB-CB 4.48Å; V304-E342 HydrophobicContact CG1-CB 3.68Å; V304-E342 WeakPolarHBondContact CG1-OE2 3.48Å; V304-E342 HydrophobicContact CG2-CB 3.93Å; V304-R343 HydrophobicContact CG2-CB 4.36Å; V304-R343 HydrophobicContact CG2-CG 3.67Å
305E82.2Confident89Confident113 Ų11335 Ų3553%0.52817%0.173SC..  trans-148.6141.6-177.7-63.9-179.617300109V307E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 HydrophobicContact CB-CG2 3.66Å; E305-V307 PolarHBondContact O-N 2.93Å
306D83.7Confident90.1Very high97 Ų9734.4 Ų34.452%0.51917%0.168SC..SBendtrans-79.278.4173.7179.814.4000110.4S280 D302S280-D306 WeakPolarHBondContact CB-OD1 3.43Å; S280-D306 PolarHBondContact OG-O 3.2Å; S280-D306 PolarHBondContact OG-OD1 2.81Å; D302-D306 HydrophobicContact CB-CB 4.28Å
307V89.9Confident90.9Very high42 Ų4233.8 Ų33.826%0.25516%0.164SC..  trans-112.2-32.8-179.2-176.20000111.8T279 S280 E305T279-V307 WeakPolarHBondContact CA-O 3.42Å; S280-V307 PolarHBondContact N-O 2.83Å; S280-V307 PolarHBondContact OG-O 2.87Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 HydrophobicContact CB-CG2 3.66Å; E305-V307 PolarHBondContact O-N 2.93Å
308Y93.8Very high91.3Very high31 Ų3130.7 Ų30.712%0.12215%0.151CC..EExtended strand (participates in β ladder)trans-133.9150.6-171.2-58.9-63.7000111.7I172 I277 I278 T279 S280 L301 R343 L344I172-Y308 HydrophobicContact CD1-CD1 3.7Å; I172-Y308 HydrophobicContact CD1-CE1 3.75Å; I172-Y308 HydrophobicContact CG1-CD1 4.27Å; I172-Y308 HydrophobicContact CG1-CE1 3.78Å; I172-Y308 HydrophobicContact CG2-CE1 4.05Å; I277-Y308 HydrophobicContact CG2-CD1 4.42Å; I277-Y308 HydrophobicContact CG2-CG 4.43Å; I278-Y308 CarbonylContact O-C 3.59Å; I278-Y308 VanDerWaalsContact O-CA 3.3Å; I278-Y308 WeakPolarHBondContact O-CA 3.38Å; T279-Y308 HydrophobicContact CG2-CE1 4.45Å; S280-Y308 PolarHBondContact OG-N 3.02Å; L301-Y308 VanDerWaalsContact CB-O 3.28Å; L301-Y308 WeakPolarHBondContact CB-O 3.15Å; L301-Y308 PolarHBondContact N-O 2.83Å; Y308-R343 HydrophobicContact CD2-CB 3.98Å; Y308-R343 WeakPolarHBondContact CD2-O 3.43Å; Y308-R343 HydrophobicContact CE2-CB 4Å; Y308-L344 HydrophobicContact CD1-CD2 4.31Å; Y308-L344 HydrophobicContact CD2-CD1 4.32Å; Y308-L344 HydrophobicContact CD2-CD2 3.33Å; Y308-L344 HydrophobicContact CD2-CG 3.64Å; Y308-L344 HydrophobicContact CE2-CD1 3.96Å; Y308-L344 HydrophobicContact CE2-CD2 3.82Å; Y308-L344 HydrophobicContact CE2-CG 3.75Å; Y308-L344 HydrophobicContact CG-CD2 3.6Å; Y308-L344 HydrophobicContact CG-CG 4.4Å
309T93.9Very high91.7Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-134.2144.2177.6-56.50000109I277 I278 A283 L298 F299 D300I277-T309 WeakPolarHBondContact CA-O 3.34Å; I278-T309 WeakPolarHBondContact CG1-O 3.39Å; I278-T309 PolarHBondContact N-O 2.87Å; I278-T309 PolarHBondContact O-N 3.13Å; A283-T309 HydrophobicContact CB-CG2 3.75Å; A283-T309 WeakPolarHBondContact CB-OG1 3.34Å; L298-T309 HydrophobicContact CB-CG2 3.87Å; L298-T309 HydrophobicContact CD2-CG2 4.05Å; L298-T309 HydrophobicContact CG-CG2 4.49Å; F299-T309 CarbonylContact O-C 3.59Å; F299-T309 WeakPolarHBondContact O-CA 3.39Å; F299-T309 WeakPolarHBondContact O-CG2 3.3Å; D300-T309 VanDerWaalsContact OD1-CG2 3.23Å; D300-T309 WeakPolarHBondContact OD1-CG2 3.48Å; D300-T309 PolarHBondContact OD1-OG1 3.19Å
310V95.7Very high91.9Very high0 Ų031.2 Ų31.20%015%0.154CC..EExtended strand (participates in β ladder)trans-92.9116.1169.7-179.90000109.1Y166 Y273 G275 E276 L298 F299 L301Y166-V310 HydrophobicContact CD1-CG1 4.33Å; Y166-V310 HydrophobicContact CD1-CG2 4.35Å; Y166-V310 HydrophobicContact CE1-CB 4.46Å; Y166-V310 HydrophobicContact CE1-CG1 3.88Å; Y166-V310 HydrophobicContact CE1-CG2 3.66Å; Y273-V310 HydrophobicContact CD1-CB 4.36Å; Y273-V310 HydrophobicContact CD1-CG1 3.9Å; Y273-V310 HydrophobicContact CE1-CB 4.39Å; Y273-V310 HydrophobicContact CE1-CG1 3.96Å; G275-V310 VanDerWaalsContact N-CG1 3.31Å; E276-V310 CarbonylContact O-C 3.37Å; E276-V310 WeakPolarHBondContact O-CA 3.39Å; L298-V310 CarbonylContact C-O 3.59Å; L298-V310 WeakPolarHBondContact CA-O 3.3Å; F299-V310 HydrophobicContact CB-CB 4.36Å; F299-V310 PolarHBondContact N-O 2.99Å; F299-V310 PolarHBondContact O-N 2.92Å; L301-V310 HydrophobicContact CD1-CG2 3.91Å; L301-V310 HydrophobicContact CD2-CG2 3.78Å; L301-V310 HydrophobicContact CG-CG2 4.02Å
311D95.5Very high92.2Very high2 Ų231 Ų311%0.01115%0.152CC..EExtended strand (participates in β ladder)trans-98.2106.8173.9179.93.6000110.8G275 E276 I278 R286 Y290 L298 A313G275-D311 WeakPolarHBondContact CA-O 3.14Å; E276-D311 PolarHBondContact N-O 2.78Å; E276-D311 PolarHBondContact O-N 3.14Å; I278-D311 HydrophobicContact CD1-CB 3.72Å; I278-D311 HydrophobicContact CG1-CB 4.28Å; R286-D311 WeakPolarHBondContact CD-OD2 3.5Å; R286-D311 IonicContact CZ-OD2 3.45Å; R286-D311 IonicContact NE-OD2 3.69Å; R286-D311 IonicContact NH1-OD2 3.23Å; R286-D311 PolarHBondContact NH1-OD2 2.9Å; Y290-D311 PolarHBondContact OH-OD2 2.97Å; Y290-D311 VanDerWaalsContact OH-OD2 3.05Å; L298-D311 HydrophobicContact CD2-CB 3.75Å; D311-A313 WeakPolarHBondContact OD1-CB 3.43Å; D311-A313 PolarHBondContact OD1-N 2.88Å
312A95.6Very high92.7Very high0 Ų031.1 Ų31.10%015%0.152CC..  trans-92.19178.500000114Y273 Y297 Y314 Y315 H320Y273-A312 HydrophobicContact CE1-CB 3.83Å; Y273-A312 WeakPolarHBondContact OH-CB 3.44Å; Y297-A312 PolarHBondContact O-N 3.31Å; A312-Y314 PolarHBondContact O-N 3.39Å; A312-Y315 CarbonylContact C-O 3.54Å; A312-Y315 VanDerWaalsContact CA-O 3.28Å; A312-Y315 WeakPolarHBondContact CA-O 3.33Å; A312-H320 PolarHBondContact O-CE1 3.32Å; A312-H320 PolarHBondContact O-ND1 2.93Å
313A93Very high93.2Very high17 Ų1729.5 Ų29.514%0.1414%0.144CC..SBendtrans-65.1-43.3-169.200000113.2Y290 Y297 D311Y290-A313 HydrophobicContact CE1-CB 3.98Å; Y290-A313 HydrophobicContact CE2-CB 4.1Å; Y290-A313 WeakPolarHBondContact OH-CB 3.34Å; Y297-A313 HydrophobicContact CD2-CB 3.52Å; Y297-A313 HydrophobicContact CE2-CB 4.32Å; Y297-A313 HydrophobicContact CG-CB 4.03Å; D311-A313 WeakPolarHBondContact OD1-CB 3.43Å; D311-A313 PolarHBondContact OD1-N 2.88Å
314Y94Very high93.9Very high110 Ų11028.5 Ų28.543%0.43114%0.14SC..SBendtrans-110.6-40.5-178.3-171.7-83.5000112.7A159 F160 V161 A312A159-Y314 HydrophobicContact CB-CD2 4.07Å; A159-Y314 HydrophobicContact CB-CE2 4.06Å; F160-Y314 CarbonylContact C-O 3.54Å; F160-Y314 WeakPolarHBondContact CA-O 3.32Å; V161-Y314 HydrophobicContact CB-CE1 4.35Å; V161-Y314 HydrophobicContact CG2-CD1 4.1Å; V161-Y314 HydrophobicContact CG2-CE1 3.5Å; V161-Y314 PolarHBondContact N-O 2.83Å; A312-Y314 PolarHBondContact O-N 3.39Å
315Y97.1Very high94.4Very high56 Ų5625.8 Ų25.822%0.2212%0.124CC..EExtended strand (participates in β ladder)trans-109.6123.2174.2-59.3-83.8000107.7V161 I163 R167 G275 A312V161-Y315 HydrophobicContact CB-CD1 3.79Å; V161-Y315 HydrophobicContact CB-CE1 3.98Å; V161-Y315 HydrophobicContact CG1-CD1 3.97Å; V161-Y315 HydrophobicContact CG1-CE1 4.07Å; V161-Y315 HydrophobicContact CG2-CD1 4.49Å; V161-Y315 HydrophobicContact CG2-CE1 4.23Å; V161-Y315 WeakPolarHBondContact O-CA 3.46Å; I163-Y315 HydrophobicContact CG2-CD1 4.16Å; R167-Y315 PolarHBondContact NH1-OH 3.48Å; G275-Y315 VanDerWaalsContact CA-O 3.26Å; G275-Y315 WeakPolarHBondContact CA-O 3.24Å; A312-Y315 CarbonylContact C-O 3.54Å; A312-Y315 VanDerWaalsContact CA-O 3.28Å; A312-Y315 WeakPolarHBondContact CA-O 3.33Å
316G97.4Very high95Very high0 Ų021.2 Ų21.20%011%0.105CC..EExtended strand (participates in β ladder)trans-164.1174.9174.800000112.3F160 V161 Y162 I163 V274F160-G316 WeakPolarHBondContact CZ-O 3.43Å; V161-G316 PolarHBondContact O-N 2.74Å; V161-G316 VanDerWaalsContact O-N 3.14Å; Y162-G316 CarbonylContact C-O 3.45Å; Y162-G316 VanDerWaalsContact CA-O 3.23Å; Y162-G316 WeakPolarHBondContact CA-O 3.37Å; I163-G316 PolarHBondContact N-O 3.19Å; V274-G316 VanDerWaalsContact O-CA 3.24Å; V274-G316 WeakPolarHBondContact O-CA 3.42Å
317N97.8Very high95.5Very high8 Ų821.2 Ų21.24%0.04311%0.105CC..  trans-103.2-159.1170.8744.5000110.1Y162 I163 E272 V274 S319 H320Y162-N317 HydrophobicContact CE2-CB 4.12Å; I163-N317 VanDerWaalsContact O-CB 3.25Å; I163-N317 WeakPolarHBondContact O-CB 3.27Å; E272-N317 PolarHBondContact O-ND2 2.88Å; E272-N317 PolarHBondContact O-OD1 2.74Å; V274-N317 HydrophobicContact CB-CB 4.2Å; V274-N317 WeakPolarHBondContact CG2-ND2 3.49Å; N317-S319 PolarHBondContact O-N 3.39Å; N317-S319 WeakPolarHBondContact OD1-CB 3.49Å; N317-S319 PolarHBondContact OD1-N 3.48Å; N317-S319 PolarHBondContact OD1-OG 3.05Å; N317-H320 VanDerWaalsContact O-CB 3.3Å; N317-H320 WeakPolarHBondContact O-CB 3.45Å; N317-H320 PolarHBondContact O-N 2.9Å
318I98.1Very high95.8Very high0 Ų020.5 Ų20.50%010%0.101CC..G310 helixtrans-63.6-22.5178.7-166.9166.6000113.7I145 Y162 I241 L245 I247 V258 M271 H320 F321I145-I318 HydrophobicContact CD1-CB 4.41Å; I145-I318 HydrophobicContact CD1-CD1 4.34Å; I145-I318 HydrophobicContact CG1-CD1 4.08Å; I145-I318 HydrophobicContact CG2-CD1 3.87Å; Y162-I318 HydrophobicContact CE2-CB 4.37Å; I241-I318 HydrophobicContact CD1-CG2 3.58Å; L245-I318 HydrophobicContact CB-CD1 3.6Å; L245-I318 HydrophobicContact CD1-CD1 3.94Å; L245-I318 HydrophobicContact CD1-CG2 4.19Å; L245-I318 HydrophobicContact CG-CD1 4.43Å; I247-I318 HydrophobicContact CD1-CD1 4.49Å; I247-I318 HydrophobicContact CD1-CG1 4.21Å; I247-I318 HydrophobicContact CG1-CD1 3.99Å; I247-I318 HydrophobicContact CG1-CG1 3.91Å; V258-I318 HydrophobicContact CG1-CD1 3.91Å; V258-I318 HydrophobicContact CG1-CG1 4.08Å; V258-I318 HydrophobicContact CG2-CD1 4.5Å; V258-I318 HydrophobicContact CG2-CG1 3.86Å; V258-I318 WeakPolarHBondContact CG2-O 3.45Å; M271-I318 HydrophobicContact CE-CG2 4.31Å; M271-I318 HydrophobicContact SD-CG2 3.82Å; I318-H320 PolarHBondContact O-N 2.72Å; I318-F321 PolarHBondContact O-N 2.74Å; I318-F321 VanDerWaalsContact O-N 3.14Å
319S97.5Very high96Very high1 Ų119.2 Ų19.21%0.00710%0.096CC..G310 helixtrans-60.8-25178.278.30000113.1E272 Y273 N317 F321 V322E272-S319 WeakPolarHBondContact O-CB 3.23Å; Y273-S319 WeakPolarHBondContact CA-OG 3.42Å; Y273-S319 WeakPolarHBondContact CD2-OG 3.35Å; N317-S319 PolarHBondContact O-N 3.39Å; N317-S319 WeakPolarHBondContact OD1-CB 3.49Å; N317-S319 PolarHBondContact OD1-N 3.48Å; N317-S319 PolarHBondContact OD1-OG 3.05Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-F321 VanDerWaalsContact O-N 3.09Å; S319-V322 WeakPolarHBondContact O-CB 3.48Å; S319-V322 PolarHBondContact O-N 3.34Å
320H95.8Very high96.2Very high22 Ų2219.3 Ų19.310%0.10210%0.096CC..G310 helixtrans-51.8-30.4174.8172.197.5000112.5F160 Y297 A312 N317 I318F160-H320 AromaticContact CD2-CE1 3.99Å; F160-H320 AromaticContact CD2-ND1 3.95Å; F160-H320 HydrophobicContact CE2-CB 3.81Å; F160-H320 AromaticContact CE2-CG 3.63Å; F160-H320 AromaticContact CE2-ND1 3.85Å; F160-H320 HydrophobicContact CZ-CB 4.35Å; Y297-H320 AromaticContact CD1-CE1 3.6Å; Y297-H320 AromaticContact CD1-ND1 3.65Å; Y297-H320 AromaticContact CE1-CE1 3.22Å; Y297-H320 WeakPolarHBondContact CE1-CE1 3.3Å; Y297-H320 AromaticContact CE1-ND1 3.69Å; Y297-H320 AromaticContact CE1-NE2 3.65Å; Y297-H320 AromaticContact CZ-CE1 3.59Å; Y297-H320 AromaticContact CZ-NE2 3.98Å; A312-H320 PolarHBondContact O-CE1 3.32Å; A312-H320 PolarHBondContact O-ND1 2.93Å; N317-H320 VanDerWaalsContact O-CB 3.3Å; N317-H320 WeakPolarHBondContact O-CB 3.45Å; N317-H320 PolarHBondContact O-N 2.9Å; I318-H320 PolarHBondContact O-N 2.72Å
321F96.9Very high96.2Very high10 Ų1021.7 Ų21.74%0.04411%0.108CC..G310 helixtrans-98.64.8-176.9-54.4-80.7000113.3W131 P157 F160 I247 W256 G257 V258 I318 S319 N323W131-F321 AromaticContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE1 3.96Å; W131-F321 HydrophobicContact CH2-CE2 4.35Å; W131-F321 AromaticContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CH2-CZ 3.72Å; W131-F321 HydrophobicContact CZ2-CE1 4.26Å; W131-F321 HydrophobicContact CZ2-CE2 4.14Å; W131-F321 AromaticContact CZ2-CZ 3.58Å; W131-F321 HydrophobicContact CZ2-CZ 3.58Å; P157-F321 HydrophobicContact CG-CE1 4.24Å; P157-F321 HydrophobicContact CG-CZ 4.12Å; F160-F321 HydrophobicContact CD1-CE2 4.47Å; F160-F321 HydrophobicContact CD1-CZ 4.13Å; F160-F321 AromaticContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CE2 3.89Å; F160-F321 HydrophobicContact CE1-CZ 4.01Å; F160-F321 HydrophobicContact CE2-CE2 4.32Å; F160-F321 HydrophobicContact CE2-CZ 4.41Å; F160-F321 HydrophobicContact CG-CZ 4.38Å; F160-F321 AromaticContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CE2 3.81Å; F160-F321 HydrophobicContact CZ-CZ 4.16Å; I247-F321 HydrophobicContact CD1-CD2 3.64Å; I247-F321 HydrophobicContact CD1-CE2 3.72Å; I247-F321 HydrophobicContact CD1-CG 4.34Å; I247-F321 HydrophobicContact CD1-CZ 4.47Å; I247-F321 HydrophobicContact CG1-CD2 4.06Å; I247-F321 HydrophobicContact CG1-CG 4.41Å; I247-F321 HydrophobicContact CG2-CB 4.37Å; I247-F321 HydrophobicContact CG2-CD1 4.2Å; I247-F321 HydrophobicContact CG2-CD2 4.43Å; I247-F321 HydrophobicContact CG2-CG 4.07Å; W256-F321 HydrophobicContact CB-CB 4.47Å; W256-F321 HydrophobicContact CB-CD1 3.69Å; W256-F321 HydrophobicContact CB-CE1 4.47Å; W256-F321 HydrophobicContact CB-CG 4.49Å; W256-F321 HydrophobicContact CG-CD1 4.22Å; G257-F321 CarbonylContact C-O 3.54Å; G257-F321 WeakPolarHBondContact CA-O 3.37Å; V258-F321 HydrophobicContact CG2-CB 3.64Å; V258-F321 PolarHBondContact N-O 3.48Å; I318-F321 PolarHBondContact O-N 2.74Å; I318-F321 VanDerWaalsContact O-N 3.14Å; S319-F321 PolarHBondContact O-N 3.41Å; S319-F321 VanDerWaalsContact O-N 3.09Å; F321-N323 PolarHBondContact O-N 3.13Å
322V97.6Very high96.2Very high2 Ų221.9 Ų21.91%0.01211%0.109CC..PPolyproline II helixtrans-80.9120.9-177.7179.10000109V258 M271 S319 L330 L361 F363 Y365V258-V322 HydrophobicContact CB-CG2 4.06Å; V258-V322 HydrophobicContact CG2-CG2 3.8Å; M271-V322 HydrophobicContact CE-CG2 4.19Å; M271-V322 HydrophobicContact SD-CG2 3.8Å; S319-V322 WeakPolarHBondContact O-CB 3.48Å; S319-V322 PolarHBondContact O-N 3.34Å; V322-L330 HydrophobicContact CG1-CD1 4.16Å; V322-L361 WeakPolarHBondContact CG1-O 3.31Å; V322-F363 HydrophobicContact CB-CD1 4.31Å; V322-F363 HydrophobicContact CB-CE1 4.29Å; V322-F363 HydrophobicContact CG1-CD1 3.62Å; V322-F363 HydrophobicContact CG1-CE1 4.09Å; V322-Y365 PolarHBondContact O-OH 3.36Å
323N96.1Very high96.2Very high17 Ų1722.7 Ų22.79%0.09111%0.112CC..EExtended strand (participates in β ladder)trans-80.8162.4-176.3-76-49.5000113.6W256 G257 F321 E360 T362 F363W256-N323 PolarHBondContact O-ND2 2.77Å; W256-N323 PolarHBondContact O-OD1 3.33Å; G257-N323 WeakPolarHBondContact CA-ND2 3.32Å; F321-N323 PolarHBondContact O-N 3.13Å; N323-E360 PolarHBondContact ND2-OE1 3.38Å; N323-T362 WeakPolarHBondContact O-CA 3.46Å; N323-T362 WeakPolarHBondContact O-CB 3.23Å; N323-F363 PolarHBondContact O-N 3.16Å
324H94.8Very high96.3Very high5 Ų522.1 Ų22.12%0.02311%0.106CC..EExtended strand (participates in β ladder)trans-69.3141.916817755.9000112.8C326 F363 D364 Y365 C400 R408 L411H324-C326 PolarHBondContact NE2-SG 3.48Å; H324-F363 VanDerWaalsContact CA-O 3.3Å; H324-F363 WeakPolarHBondContact CA-O 3.46Å; H324-F363 PolarHBondContact ND1-O 3.36Å; H324-D364 IonicContact CE1-OD1 2.7Å; H324-D364 PolarHBondContact CE1-OD1 3.21Å; H324-D364 VanDerWaalsContact CE1-OD1 3.23Å; H324-D364 IonicContact ND1-OD1 3.42Å; H324-Y365 HydrophobicContact CB-CD1 3.66Å; H324-Y365 HydrophobicContact CB-CD2 3.84Å; H324-Y365 HydrophobicContact CB-CE1 3.68Å; H324-Y365 HydrophobicContact CB-CE2 3.88Å; H324-Y365 HydrophobicContact CB-CG 3.75Å; H324-Y365 VanDerWaalsContact N-CE1 3.27Å; H324-Y365 PolarHBondContact N-OH 3.31Å; H324-Y365 PolarHBondContact ND1-N 2.88Å; H324-Y365 VanDerWaalsContact ND1-N 3.18Å; H324-C400 PolarHBondContact CD2-SG 2.66Å; H324-R408 PolarHBondContact CE1-NH2 2.96Å; H324-R408 VanDerWaalsContact CE1-NH2 3.25Å; H324-L411 HydrophobicContact CB-CD2 3.91Å; H324-L411 VanDerWaalsContact CD2-CD2 3.48Å; H324-L411 WeakPolarHBondContact CD2-CD2 3.46Å
325S95.8Very high96.5Very high8 Ų816.9 Ų16.96%0.0569%0.086CC..  trans-137.3145158.6-179.80000111.4D327 T362 F363S325-D327 VanDerWaalsContact C-N 3.27Å; S325-D327 VanDerWaalsContact OG-C 3.28Å; S325-D327 PolarHBondContact OG-N 3.34Å; S325-D327 VanDerWaalsContact OG-N 3.09Å; S325-D327 PolarHBondContact OG-O 2.95Å; S325-T362 VanDerWaalsContact CB-OG1 3.28Å; S325-T362 WeakPolarHBondContact CB-OG1 3.45Å; S325-F363 PolarHBondContact N-O 3.38Å
326C94.4Very high96.5Very high18 Ų1814.3 Ų14.312%0.1228%0.076CC..SBendtrans-76.9-14.3170.5-60.30000112.9H324 R408H324-C326 PolarHBondContact NE2-SG 3.48Å; C326-R408 HydrophobicContact CB-CG 4.46Å; C326-R408 PolarHBondContact SG-N 2.77Å
327D94.8Very high96.4Very high97 Ų9714.3 Ų14.352%0.5198%0.076SC..SBendtrans-126.976.9167.4-178.928000108S325 T404S325-D327 VanDerWaalsContact C-N 3.27Å; S325-D327 VanDerWaalsContact OG-C 3.28Å; S325-D327 PolarHBondContact OG-N 3.34Å; S325-D327 VanDerWaalsContact OG-N 3.09Å; S325-D327 PolarHBondContact OG-O 2.95Å; D327-T404 HydrophobicContact CB-CG2 3.8Å
328P97.2Very high96.3Very high27 Ų2716.5 Ų16.518%0.1759%0.088CC..  trans-76.7157.2-172.332.5-37.9000113T352 T362 F363 D364P328-T352 PolarHBondContact O-OG1 3.32Å; P328-T362 WeakPolarHBondContact CB-O 3.32Å; P328-F363 VanDerWaalsContact CB-CA 3.48Å; P328-D364 HydrophobicContact CG-CB 4.06Å
329N98Very high96.1Very high3 Ų317.5 Ų17.52%0.0169%0.093CC..SBendtrans-104.2-1.9172.759.711.2000113.7A351 T352 I355 E359 E360 L361 T362N329-A351 CarbonylContact O-C 3.56Å; N329-A351 WeakPolarHBondContact O-CA 3.29Å; N329-T352 WeakPolarHBondContact CA-OG1 3.21Å; N329-T352 PolarHBondContact O-N 3.46Å; N329-T352 PolarHBondContact O-OG1 3.14Å; N329-I355 HydrophobicContact CB-CD1 3.95Å; N329-I355 HydrophobicContact CB-CG1 4.06Å; N329-E359 PolarHBondContact ND2-OE1 3.12Å; N329-E360 PolarHBondContact ND2-O 3.02Å; N329-L361 WeakPolarHBondContact OD1-CA 3.45Å; N329-T362 PolarHBondContact N-O 2.84Å; N329-T362 PolarHBondContact OD1-N 3.42Å; N329-T362 PolarHBondContact OD1-O 3.36Å
330L98.2Very high95.9Very high2 Ų220.6 Ų20.61%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-116144.7172.1-59.5-179.2000111.5V270 V322 F349 F350 I355 L361 T362 F363V270-L330 HydrophobicContact CB-CD2 4.06Å; V270-L330 HydrophobicContact CG1-CD2 4.25Å; V270-L330 HydrophobicContact CG2-CD2 3.67Å; V322-L330 HydrophobicContact CG1-CD1 4.16Å; L330-F349 HydrophobicContact CB-CB 4.38Å; L330-F349 HydrophobicContact CD1-CB 4.14Å; L330-F349 HydrophobicContact CD1-CD2 4.04Å; L330-F349 HydrophobicContact CD1-CG 4.29Å; L330-F350 CarbonylContact C-O 3.12Å; L330-F350 WeakPolarHBondContact CA-O 3.17Å; L330-I355 HydrophobicContact CD2-CD1 4.15Å; L330-L361 HydrophobicContact CD1-CB 3.99Å; L330-T362 WeakPolarHBondContact CB-O 3.48Å; L330-T362 PolarHBondContact N-O 3.37Å; L330-F363 HydrophobicContact CB-CB 4.16Å
331Q95.6Very high95.8Very high51 Ų5121 Ų2124%0.23811%0.112CC..EExtended strand (participates in β ladder)trans-124.7142.1173.3177.362.95900109.5A215 Y333 F349 F350 T352A215-Q331 HydrophobicContact CB-CG 3.69Å; Q331-Y333 HydrophobicContact CB-CE2 4.15Å; Q331-Y333 HydrophobicContact CG-CD2 4.29Å; Q331-Y333 HydrophobicContact CG-CE2 3.68Å; Q331-F349 WeakPolarHBondContact O-CA 3.22Å; Q331-F350 PolarHBondContact N-O 3.17Å; Q331-F350 PolarHBondContact O-N 2.8Å; Q331-T352 HydrophobicContact CB-CG2 3.57Å
332V95Very high95.6Very high6 Ų623.7 Ų23.74%0.03613%0.125CC..EExtended strand (participates in β ladder)trans-87.4142.1178.5-170.80000111.6F299 I347 A348 F349 M367F299-V332 HydrophobicContact CE2-CG2 4.48Å; F299-V332 HydrophobicContact CZ-CG1 3.98Å; F299-V332 HydrophobicContact CZ-CG2 4.33Å; V332-I347 HydrophobicContact CG1-CG2 3.51Å; V332-A348 CarbonylContact C-O 3.55Å; V332-A348 WeakPolarHBondContact CA-O 3.17Å; V332-F349 HydrophobicContact CB-CD1 4.39Å; V332-F349 HydrophobicContact CB-CE1 4.43Å; V332-F349 HydrophobicContact CG1-CE1 4.42Å; V332-F349 HydrophobicContact CG2-CD1 3.81Å; V332-F349 HydrophobicContact CG2-CE1 3.55Å; V332-M367 HydrophobicContact CB-CE 3.27Å; V332-M367 HydrophobicContact CB-SD 4.3Å; V332-M367 HydrophobicContact CG1-CE 3.87Å; V332-M367 HydrophobicContact CG2-CE 3.29Å; V332-M367 HydrophobicContact CG2-SD 3.74Å
333Y95.3Very high95.3Very high17 Ų1727.7 Ų27.77%0.06714%0.14CC..EExtended strand (participates in β ladder)trans-132140170.2-72.7-99.8000110.1V211 L213 R214 A215 I219 Q331 A348 F350V211-Y333 HydrophobicContact CG1-CE2 4.26Å; V211-Y333 HydrophobicContact CG2-CD1 4.37Å; V211-Y333 HydrophobicContact CG2-CE1 3.88Å; L213-Y333 HydrophobicContact CB-CE1 4.5Å; L213-Y333 PolarHBondContact O-OH 3.25Å; L213-Y333 VanDerWaalsContact O-OH 3.12Å; R214-Y333 WeakPolarHBondContact O-CE1 3.41Å; A215-Y333 PolarHBondContact N-OH 3.18Å; I219-Y333 HydrophobicContact CD1-CD1 3.71Å; I219-Y333 HydrophobicContact CD1-CG 3.88Å; I219-Y333 HydrophobicContact CG1-CD1 4.15Å; Q331-Y333 HydrophobicContact CB-CE2 4.15Å; Q331-Y333 HydrophobicContact CG-CD2 4.29Å; Q331-Y333 HydrophobicContact CG-CE2 3.68Å; Y333-A348 PolarHBondContact N-O 3.49Å; Y333-A348 PolarHBondContact O-N 2.69Å; Y333-F350 HydrophobicContact CD2-CB 4.04Å; Y333-F350 AromaticContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CE2 4.36Å; Y333-F350 HydrophobicContact CD2-CG 4.07Å; Y333-F350 HydrophobicContact CE2-CB 3.95Å; Y333-F350 HydrophobicContact CE2-CD2 4.25Å; Y333-F350 HydrophobicContact CE2-CG 4.3Å; Y333-F350 HydrophobicContact CG-CD2 4.09Å; Y333-F350 HydrophobicContact CG-CE2 4.47Å
334N95.7Very high95.2Very high4 Ų427.3 Ų27.32%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-80.5129.8168.6-68.4-51.2000109.7I219 Y303 P345 I347 T377I219-N334 PolarHBondContact N-O 2.81Å; Y303-N334 HydrophobicContact CD2-CB 4.29Å; Y303-N334 WeakPolarHBondContact CD2-ND2 3.15Å; Y303-N334 HydrophobicContact CG-CB 4.32Å; N334-P345 HydrophobicContact CB-CB 3.82Å; N334-P345 HydrophobicContact CB-CG 4.43Å; N334-P345 WeakPolarHBondContact OD1-CG 3.15Å; N334-I347 VanDerWaalsContact OD1-CD1 3.24Å; N334-I347 WeakPolarHBondContact OD1-CD1 3.5Å; N334-T377 WeakPolarHBondContact OD1-CG2 3.5Å
335V96.9Very high95.2Very high1 Ų127 Ų271%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-129129.1-173-170.30000110.7I219 E221 V237 I337 R346 A348I219-V335 HydrophobicContact CB-CG1 4.31Å; I219-V335 HydrophobicContact CB-CG2 4.19Å; I219-V335 HydrophobicContact CD1-CG2 4.39Å; I219-V335 HydrophobicContact CG2-CG1 4.22Å; I219-V335 CarbonylContact O-C 3.45Å; I219-V335 WeakPolarHBondContact O-CA 3.07Å; E221-V335 HydrophobicContact CG-CG1 4.04Å; V237-V335 HydrophobicContact CB-CG1 4.34Å; V237-V335 HydrophobicContact CG2-CG1 4.21Å; V237-V335 HydrophobicContact CG2-CG2 4.18Å; V335-I337 HydrophobicContact CG1-CD1 4.13Å; V335-I337 HydrophobicContact CG1-CG1 3.93Å; V335-R346 HydrophobicContact CB-CB 4.23Å; V335-R346 PolarHBondContact N-O 3.43Å; V335-R346 WeakPolarHBondContact O-CB 3.36Å; V335-R346 PolarHBondContact O-N 3.23Å; V335-A348 HydrophobicContact CG2-CB 3.51Å
336F96.9Very high95.2Very high1 Ų129.4 Ų29.40%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-114.7130177.6-59-73.1000109.7P218 I219 Y220 E221 Y303 L340 E342 P345P218-F336 HydrophobicContact CB-CD2 4.05Å; P218-F336 HydrophobicContact CB-CE2 3.75Å; I219-F336 PolarHBondContact O-N 2.95Å; Y220-F336 HydrophobicContact CD1-CB 3.69Å; Y220-F336 HydrophobicContact CD1-CD2 4.35Å; Y220-F336 HydrophobicContact CD1-CG 4.38Å; Y220-F336 HydrophobicContact CD2-CD2 4.47Å; Y220-F336 HydrophobicContact CE1-CB 3.68Å; Y220-F336 AromaticContact CE1-CD2 3.85Å; Y220-F336 HydrophobicContact CE1-CD2 3.85Å; Y220-F336 AromaticContact CE1-CG 3.94Å; Y220-F336 HydrophobicContact CE1-CG 3.94Å; Y220-F336 AromaticContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CE2-CD2 3.97Å; Y220-F336 HydrophobicContact CG-CB 4.4Å; Y220-F336 AromaticContact CZ-CD2 3.65Å; E221-F336 PolarHBondContact N-O 3.18Å; Y303-F336 HydrophobicContact CD1-CE2 4.25Å; Y303-F336 AromaticContact CD1-CZ 3.87Å; Y303-F336 HydrophobicContact CD1-CZ 3.87Å; Y303-F336 AromaticContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CE2 3.98Å; Y303-F336 HydrophobicContact CE1-CZ 4.01Å; F336-L340 HydrophobicContact CB-CD2 3.9Å; F336-E342 HydrophobicContact CE1-CB 4.38Å; F336-E342 HydrophobicContact CE1-CG 4.39Å; F336-E342 HydrophobicContact CZ-CB 4.09Å; F336-E342 HydrophobicContact CZ-CG 4.07Å; F336-P345 HydrophobicContact CE1-CB 3.68Å; F336-P345 HydrophobicContact CZ-CB 3.7Å
337I97Very high95.3Very high1 Ų128.6 Ų28.61%0.00514%0.138CC..SBendtrans-134.1-94.9-175.6-44.4-167.9000108.6E221 N223 Q238 V335E221-I337 HydrophobicContact CB-CD1 4.21Å; E221-I337 HydrophobicContact CB-CG1 3.98Å; E221-I337 HydrophobicContact CB-CG2 4.36Å; E221-I337 HydrophobicContact CG-CD1 4.25Å; E221-I337 HydrophobicContact CG-CG1 4.3Å; N223-I337 HydrophobicContact CB-CG2 4.35Å; N223-I337 WeakPolarHBondContact CB-O 3.22Å; Q238-I337 HydrophobicContact CB-CD1 3.97Å; V335-I337 HydrophobicContact CG1-CD1 4.13Å; V335-I337 HydrophobicContact CG1-CG1 3.93Å
338D95.6Very high95.4Very high53 Ų5324 Ų2428%0.28311%0.114SC..SBendtrans-85.4-18.7179.8-66.4-65.2000112.9Q176 V177 S224Q176-D338 CarbonylContact C-O 3.54Å; Q176-D338 VanDerWaalsContact CA-O 3.31Å; Q176-D338 WeakPolarHBondContact CA-O 3.45Å; V177-D338 PolarHBondContact N-O 3.32Å; S224-D338 WeakPolarHBondContact CB-OD1 3.21Å; S224-D338 PolarHBondContact N-OD1 3.46Å; S224-D338 PolarHBondContact OG-OD1 3.04Å
339N93.8Very high95.4Very high21 Ų2122.7 Ų22.711%0.11211%0.105CC..  trans-112127.5169175.648000108.6N175 D341 L344N175-N339 WeakPolarHBondContact O-CA 3.47Å; N175-N339 PolarHBondContact O-OD1 3.23Å; N339-D341 WeakPolarHBondContact OD1-CB 2.95Å; N339-D341 PolarHBondContact OD1-N 3.07Å; N339-L344 VanDerWaalsContact ND2-CB 3.32Å; N339-L344 WeakPolarHBondContact ND2-CB 3.38Å; N339-L344 PolarHBondContact ND2-O 3.28Å; N339-L344 VanDerWaalsContact ND2-O 3.14Å
340L93.3Very high95.4Very high67 Ų6722.6 Ų22.635%0.35111%0.105SC..  trans-1097.5177.2-56.7-171.4000112.5V177 Y220 F336 E342V177-L340 HydrophobicContact CB-CD1 4.37Å; V177-L340 HydrophobicContact CB-CG 4.15Å; V177-L340 HydrophobicContact CG2-CD1 3.5Å; V177-L340 VanDerWaalsContact CG2-CD1 3.5Å; V177-L340 HydrophobicContact CG2-CG 3.82Å; Y220-L340 HydrophobicContact CD1-CD2 4.1Å; Y220-L340 HydrophobicContact CE1-CD2 4.12Å; F336-L340 HydrophobicContact CB-CD2 3.9Å; L340-E342 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact O-N 3.15Å
341D92.9Very high95.5Very high31 Ų3122.6 Ų22.617%0.16611%0.105CC..  trans-66.5110.6169-170.5-23.1000108.8N339 R343 L344N339-D341 WeakPolarHBondContact OD1-CB 2.95Å; N339-D341 PolarHBondContact OD1-N 3.07Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 VanDerWaalsContact O-N 3.1Å; D341-R343 WeakPolarHBondContact OD1-CB 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3Å; D341-R343 IonicContact OD1-CZ 3.11Å; D341-R343 PolarHBondContact OD1-N 3.5Å; D341-R343 VanDerWaalsContact OD1-N 3.14Å; D341-R343 IonicContact OD1-NE 2.66Å; D341-R343 PolarHBondContact OD1-NE 3.33Å; D341-R343 IonicContact OD1-NH2 3.7Å; D341-R343 IonicContact OD2-CZ 3.27Å; D341-R343 IonicContact OD2-NE 2.73Å; D341-R343 PolarHBondContact OD2-NE 3.45Å; D341-R343 IonicContact OD2-NH2 3.61Å; D341-R343 PolarHBondContact OD2-NH2 2.87Å; D341-L344 CarbonylContact O-C 3.58Å; D341-L344 PolarHBondContact O-N 3.07Å
342E92.2Very high95.5Very high66 Ų6622.3 Ų22.331%0.30811%0.107SC..THydrogen-bonded Turntrans-64-15.5-174.8-65.8-168.6146.600113.6Y220 Y303 V304 F336 L340 L344Y220-E342 PolarHBondContact OH-OE1 3.3Å; Y303-E342 HydrophobicContact CD1-CB 4.26Å; Y303-E342 HydrophobicContact CE1-CB 4.32Å; Y303-E342 HydrophobicContact CE1-CG 4.47Å; V304-E342 HydrophobicContact CB-CB 4.48Å; V304-E342 HydrophobicContact CG1-CB 3.68Å; V304-E342 WeakPolarHBondContact CG1-OE2 3.48Å; V304-E342 HydrophobicContact CG2-CB 3.93Å; F336-E342 HydrophobicContact CE1-CB 4.38Å; F336-E342 HydrophobicContact CE1-CG 4.39Å; F336-E342 HydrophobicContact CZ-CB 4.09Å; F336-E342 HydrophobicContact CZ-CG 4.07Å; L340-E342 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact O-N 3.15Å; E342-L344 VanDerWaalsContact C-N 3.27Å
343R91.7Very high95.7Very high85 Ų8526.7 Ų26.732%0.32112%0.123SC..THydrogen-bonded Turntrans-76-15.6173.2-56.8171.9-63.1167.85.5113V304 Y308 D341 P345V304-R343 HydrophobicContact CG2-CB 4.36Å; V304-R343 HydrophobicContact CG2-CG 3.67Å; Y308-R343 HydrophobicContact CD2-CB 3.98Å; Y308-R343 WeakPolarHBondContact CD2-O 3.43Å; Y308-R343 HydrophobicContact CE2-CB 4Å; D341-R343 PolarHBondContact O-N 3.16Å; D341-R343 VanDerWaalsContact O-N 3.1Å; D341-R343 WeakPolarHBondContact OD1-CB 3.49Å; D341-R343 WeakPolarHBondContact OD1-CG 3Å; D341-R343 IonicContact OD1-CZ 3.11Å; D341-R343 PolarHBondContact OD1-N 3.5Å; D341-R343 VanDerWaalsContact OD1-N 3.14Å; D341-R343 IonicContact OD1-NE 2.66Å; D341-R343 PolarHBondContact OD1-NE 3.33Å; D341-R343 IonicContact OD1-NH2 3.7Å; D341-R343 IonicContact OD2-CZ 3.27Å; D341-R343 IonicContact OD2-NE 2.73Å; D341-R343 PolarHBondContact OD2-NE 3.45Å; D341-R343 IonicContact OD2-NH2 3.61Å; D341-R343 PolarHBondContact OD2-NH2 2.87Å; R343-P345 WeakPolarHBondContact O-CD 3.37Å
344L93.4Very high95.8Very high9 Ų928.8 Ų28.85%0.04714%0.138CC..SBendtrans-126.957.7-175.6-69169.2000111.1I172 L174 I277 L301 Y308 N339 D341 E342I172-L344 HydrophobicContact CG2-CD1 4.1Å; I172-L344 HydrophobicContact CG2-CD2 4.43Å; L174-L344 HydrophobicContact CD2-CB 4.09Å; L174-L344 HydrophobicContact CD2-CD1 3.74Å; L174-L344 HydrophobicContact CD2-CG 4.4Å; I277-L344 HydrophobicContact CD1-CD2 4.15Å; I277-L344 HydrophobicContact CG2-CD2 3.69Å; L301-L344 HydrophobicContact CD1-CD2 4.22Å; Y308-L344 HydrophobicContact CD1-CD2 4.31Å; Y308-L344 HydrophobicContact CD2-CD1 4.32Å; Y308-L344 HydrophobicContact CD2-CD2 3.33Å; Y308-L344 HydrophobicContact CD2-CG 3.64Å; Y308-L344 HydrophobicContact CE2-CD1 3.96Å; Y308-L344 HydrophobicContact CE2-CD2 3.82Å; Y308-L344 HydrophobicContact CE2-CG 3.75Å; Y308-L344 HydrophobicContact CG-CD2 3.6Å; Y308-L344 HydrophobicContact CG-CG 4.4Å; N339-L344 VanDerWaalsContact ND2-CB 3.32Å; N339-L344 WeakPolarHBondContact ND2-CB 3.38Å; N339-L344 PolarHBondContact ND2-O 3.28Å; N339-L344 VanDerWaalsContact ND2-O 3.14Å; D341-L344 CarbonylContact O-C 3.58Å; D341-L344 PolarHBondContact O-N 3.07Å; E342-L344 VanDerWaalsContact C-N 3.27Å
345P94.9Very high96Very high0 Ų028.6 Ų28.60%014%0.137CC..  trans-68.1154175.130.7-33.6000111.1L301 N334 F336 R343 I347L301-P345 HydrophobicContact CB-CG 4.45Å; L301-P345 HydrophobicContact CD2-CG 4.25Å; N334-P345 HydrophobicContact CB-CB 3.82Å; N334-P345 HydrophobicContact CB-CG 4.43Å; N334-P345 WeakPolarHBondContact OD1-CG 3.15Å; F336-P345 HydrophobicContact CE1-CB 3.68Å; F336-P345 HydrophobicContact CZ-CB 3.7Å; R343-P345 WeakPolarHBondContact O-CD 3.37Å; P345-I347 HydrophobicContact CG-CD1 4.23Å
346R96.3Very high96.1Very high58 Ų5837.9 Ų37.922%0.21917%0.172CC..EExtended strand (participates in β ladder)trans-80.7135160.1-65.5169.766.51542.3109Y166 E272 V335Y166-R346 HydrophobicContact CE2-CB 4.4Å; Y166-R346 HydrophobicContact CE2-CG 4.02Å; E272-R346 IonicContact OE1-CZ 3.61Å; E272-R346 IonicContact OE1-NE 3.37Å; E272-R346 PolarHBondContact OE1-NE 2.81Å; E272-R346 IonicContact OE1-NH2 2.77Å; E272-R346 PolarHBondContact OE1-NH2 2.67Å; E272-R346 IonicContact OE2-CZ 2.93Å; E272-R346 IonicContact OE2-NH2 3.32Å; E272-R346 PolarHBondContact OE2-NH2 2.82Å; V335-R346 HydrophobicContact CB-CB 4.23Å; V335-R346 PolarHBondContact N-O 3.43Å; V335-R346 WeakPolarHBondContact O-CB 3.36Å; V335-R346 PolarHBondContact O-N 3.23Å
347I95.9Very high96.1Very high0 Ų041 Ų410%020%0.197CC..EExtended strand (participates in β ladder)trans-93.7111.2179.8-58.6-52.5000109.2Y166 E272 Y273 F299 L301 V332 N334 P345 F349 T377Y166-I347 PolarHBondContact OH-N 3.33Å; E272-I347 CarbonylContact C-O 3.56Å; E272-I347 WeakPolarHBondContact CA-O 3.38Å; E272-I347 WeakPolarHBondContact CB-O 3.47Å; Y273-I347 PolarHBondContact N-O 2.97Å; F299-I347 HydrophobicContact CD1-CD1 4.42Å; F299-I347 HydrophobicContact CD1-CG1 4.13Å; F299-I347 HydrophobicContact CE1-CD1 3.84Å; F299-I347 HydrophobicContact CE1-CG1 3.92Å; F299-I347 HydrophobicContact CE1-CG2 3.96Å; F299-I347 HydrophobicContact CE2-CG2 4.17Å; F299-I347 HydrophobicContact CZ-CG2 3.8Å; L301-I347 HydrophobicContact CD2-CD1 3.65Å; L301-I347 HydrophobicContact CD2-CG1 3.63Å; V332-I347 HydrophobicContact CG1-CG2 3.51Å; N334-I347 VanDerWaalsContact OD1-CD1 3.24Å; N334-I347 WeakPolarHBondContact OD1-CD1 3.5Å; P345-I347 HydrophobicContact CG-CD1 4.23Å; I347-F349 HydrophobicContact CG2-CE1 4.22Å; I347-T377 HydrophobicContact CD1-CG2 3.96Å
348A97.6Very high96.2Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-113.8136.5-178.700000112.2V237 F269 E272 V332 Y333 V335 F350V237-A348 HydrophobicContact CG1-CB 4.17Å; V237-A348 HydrophobicContact CG2-CB 3.95Å; F269-A348 HydrophobicContact CD2-CB 4.19Å; F269-A348 HydrophobicContact CE2-CB 3.95Å; E272-A348 HydrophobicContact CG-CB 4.45Å; V332-A348 CarbonylContact C-O 3.55Å; V332-A348 WeakPolarHBondContact CA-O 3.17Å; Y333-A348 PolarHBondContact N-O 3.49Å; Y333-A348 PolarHBondContact O-N 2.69Å; V335-A348 HydrophobicContact CG2-CB 3.51Å; A348-F350 HydrophobicContact CB-CD2 4.32Å; A348-F350 HydrophobicContact CB-CE2 3.82Å
349F98.1Very high96.3Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-97.3127.3174-62.1-27.7000111.4V270 M271 Y273 L330 Q331 V332 I347 F363V270-F349 PolarHBondContact N-O 2.71Å; M271-F349 HydrophobicContact CG-CB 4.32Å; M271-F349 HydrophobicContact CG-CD2 3.63Å; M271-F349 HydrophobicContact CG-CE2 4.46Å; M271-F349 HydrophobicContact CG-CG 4.41Å; M271-F349 PolarHBondContact O-N 3.44Å; M271-F349 HydrophobicContact SD-CD2 4.19Å; Y273-F349 HydrophobicContact CD2-CE2 4.17Å; Y273-F349 AromaticContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CD2-CZ 3.79Å; Y273-F349 HydrophobicContact CG-CZ 4.29Å; L330-F349 HydrophobicContact CB-CB 4.38Å; L330-F349 HydrophobicContact CD1-CB 4.14Å; L330-F349 HydrophobicContact CD1-CD2 4.04Å; L330-F349 HydrophobicContact CD1-CG 4.29Å; Q331-F349 WeakPolarHBondContact O-CA 3.22Å; V332-F349 HydrophobicContact CB-CD1 4.39Å; V332-F349 HydrophobicContact CB-CE1 4.43Å; V332-F349 HydrophobicContact CG1-CE1 4.42Å; V332-F349 HydrophobicContact CG2-CD1 3.81Å; V332-F349 HydrophobicContact CG2-CE1 3.55Å; I347-F349 HydrophobicContact CG2-CE1 4.22Å; F349-F363 HydrophobicContact CE2-CD1 4.4Å; F349-F363 HydrophobicContact CZ-CD1 4.13Å; F349-F363 HydrophobicContact CZ-CD2 4.5Å; F349-F363 HydrophobicContact CZ-CE1 4.16Å; F349-F363 HydrophobicContact CZ-CG 4.3Å; F349-F363 HydrophobicContact CZ-CZ 4.37Å
350F98.3Very high96.6Very high1 Ų143 Ų430%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-118.3145.1173.8-74.7-101.9000110.5Y205 V211 I219 V237 N267 S268 F269 L330 Q331 Y333 A348Y205-F350 AromaticContact CE1-CE1 3.92Å; Y205-F350 HydrophobicContact CE1-CE1 3.92Å; Y205-F350 AromaticContact CE1-CZ 3.8Å; Y205-F350 HydrophobicContact CE1-CZ 3.8Å; V211-F350 HydrophobicContact CB-CD1 3.79Å; V211-F350 HydrophobicContact CB-CE1 3.89Å; V211-F350 HydrophobicContact CB-CG 4.41Å; V211-F350 HydrophobicContact CG1-CB 4.07Å; V211-F350 HydrophobicContact CG1-CD1 3.58Å; V211-F350 HydrophobicContact CG1-CE1 4.21Å; V211-F350 HydrophobicContact CG1-CG 3.92Å; I219-F350 HydrophobicContact CD1-CE2 3.99Å; I219-F350 HydrophobicContact CD1-CZ 4.14Å; V237-F350 HydrophobicContact CG2-CE2 4.12Å; V237-F350 HydrophobicContact CG2-CZ 3.91Å; N267-F350 WeakPolarHBondContact O-CD1 3.42Å; S268-F350 VanDerWaalsContact C-CD1 3.48Å; S268-F350 WeakPolarHBondContact O-CA 3.26Å; F269-F350 VanDerWaalsContact CA-CD1 3.5Å; F269-F350 HydrophobicContact CB-CD1 4.02Å; F269-F350 HydrophobicContact CB-CE1 3.55Å; F269-F350 HydrophobicContact CB-CE2 4.45Å; F269-F350 HydrophobicContact CB-CZ 3.79Å; F269-F350 HydrophobicContact CD2-CE2 4.08Å; F269-F350 HydrophobicContact CD2-CZ 4.12Å; F269-F350 HydrophobicContact CG-CZ 4.38Å; L330-F350 CarbonylContact C-O 3.12Å; L330-F350 WeakPolarHBondContact CA-O 3.17Å; Q331-F350 PolarHBondContact N-O 3.17Å; Q331-F350 PolarHBondContact O-N 2.8Å; Y333-F350 HydrophobicContact CD2-CB 4.04Å; Y333-F350 AromaticContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CD2 3.56Å; Y333-F350 HydrophobicContact CD2-CE2 4.36Å; Y333-F350 HydrophobicContact CD2-CG 4.07Å; Y333-F350 HydrophobicContact CE2-CB 3.95Å; Y333-F350 HydrophobicContact CE2-CD2 4.25Å; Y333-F350 HydrophobicContact CE2-CG 4.3Å; Y333-F350 HydrophobicContact CG-CD2 4.09Å; Y333-F350 HydrophobicContact CG-CE2 4.47Å; A348-F350 HydrophobicContact CB-CD2 4.32Å; A348-F350 HydrophobicContact CB-CE2 3.82Å
351A98.4Very high96.8Very high2 Ų239.9 Ų39.92%0.01720%0.199CC..EExtended strand (participates in β ladder)trans-70130.7178.800000111.9I264 N267 S268 V270 N329 R353 I355I264-A351 HydrophobicContact CG2-CB 3.91Å; N267-A351 WeakPolarHBondContact CA-O 3.44Å; N267-A351 PolarHBondContact N-O 3.19Å; S268-A351 PolarHBondContact O-N 2.78Å; V270-A351 HydrophobicContact CG2-CB 4.25Å; N329-A351 CarbonylContact O-C 3.56Å; N329-A351 WeakPolarHBondContact O-CA 3.29Å; A351-R353 WeakPolarHBondContact CB-O 3.15Å; A351-I355 HydrophobicContact CB-CD1 3.85Å; A351-I355 HydrophobicContact CB-CG1 4.27Å
352T97Very high97.1Very high45 Ų4538.9 Ų38.928%0.27620%0.195SC..SBendtrans-79.8-24.8178.861.60000112.7K266 P328 N329 Q331K266-T352 WeakPolarHBondContact CD-O 3.34Å; K266-T352 WeakPolarHBondContact CE-O 3.24Å; K266-T352 WeakPolarHBondContact CG-O 3.5Å; P328-T352 PolarHBondContact O-OG1 3.32Å; N329-T352 WeakPolarHBondContact CA-OG1 3.21Å; N329-T352 PolarHBondContact O-N 3.46Å; N329-T352 PolarHBondContact O-OG1 3.14Å; Q331-T352 HydrophobicContact CB-CG2 3.57Å
353R98Very high97.3Very high98 Ų9835.9 Ų35.937%0.3718%0.18SC..SBendtrans-143.7177.9176.659.9170.417473.60110.1K266 A351 I355 E359K266-R353 WeakPolarHBondContact CA-O 3.34Å; A351-R353 WeakPolarHBondContact CB-O 3.15Å; R353-I355 PolarHBondContact O-N 2.94Å; R353-E359 IonicContact CZ-OE1 2.74Å; R353-E359 IonicContact NH1-OE1 3.67Å; R353-E359 PolarHBondContact NH1-OE1 2.91Å; R353-E359 IonicContact NH1-OE2 3.91Å; R353-E359 PolarHBondContact NH1-OE2 3.32Å; R353-E359 IonicContact NH2-OE1 3.86Å; R353-E359 PolarHBondContact NH2-OE1 3.23Å
354T98.6Very high97.3Very high62 Ų6232.6 Ų32.638%0.3817%0.169SC..  trans-68.4131169.3-640000109K263 I264 K266K263-T354 HydrophobicContact CD-CG2 4.3Å; K263-T354 HydrophobicContact CG-CG2 4.04Å; I264-T354 CarbonylContact O-C 3.52Å; I264-T354 WeakPolarHBondContact O-CA 3.01Å; K266-T354 PolarHBondContact N-OG1 3.27Å
355I98.8Very high97.1Very high0 Ų033 Ų330%017%0.17CC..BIsolated β-bridgetrans-108.4132.7179.9-53.3176.8000108T260 K263 I264 N329 L330 A351 R353 E359 L361T260-I355 HydrophobicContact CG2-CG2 3.78Å; K263-I355 WeakPolarHBondContact CA-O 3.09Å; I264-I355 HydrophobicContact CB-CB 4.16Å; I264-I355 PolarHBondContact N-O 3.1Å; I264-I355 PolarHBondContact O-N 3.15Å; N329-I355 HydrophobicContact CB-CD1 3.95Å; N329-I355 HydrophobicContact CB-CG1 4.06Å; L330-I355 HydrophobicContact CD2-CD1 4.15Å; A351-I355 HydrophobicContact CB-CD1 3.85Å; A351-I355 HydrophobicContact CB-CG1 4.27Å; R353-I355 PolarHBondContact O-N 2.94Å; I355-E359 HydrophobicContact CG2-CB 3.77Å; I355-E359 HydrophobicContact CG2-CG 4.12Å; I355-L361 HydrophobicContact CD1-CD2 3.7Å; I355-L361 HydrophobicContact CG2-CD2 3.99Å
356R98.6Very high96.2Very high196 Ų19633.5 Ų33.574%0.7417%0.173SC*.  trans-84.3154.7-177.6-61.9178.2-178.1171.11.3110.9T260 G358 E359T260-R356 WeakPolarHBondContact CG2-O 3.04Å; R356-G358 PolarHBondContact O-N 2.89Å; R356-E359 HydrophobicContact CB-CB 4.5Å; R356-E359 PolarHBondContact N-OE2 2.81Å; R356-E359 WeakPolarHBondContact O-CB 3.46Å; R356-E359 PolarHBondContact O-N 2.78Å; R356-E359 VanDerWaalsContact O-N 3.1Å
357A98.5Very high95Very high65 Ų6531.1 Ų31.154%0.53716%0.164SC..THydrogen-bonded Turntrans-58133.3169.700000110.2E359A357-E359 VanDerWaalsContact C-N 3.33Å
358G98.3Very high93Very high43 Ų4337.5 Ų37.544%0.44319%0.194SC..THydrogen-bonded Turntrans86.2-6.5-176.400000115.1T260 R356T260-G358 WeakPolarHBondContact O-CA 3.26Å; T260-G358 PolarHBondContact O-N 2.78Å; R356-G358 PolarHBondContact O-N 2.89Å
359E98.6Very high90.8Very high40 Ų4039.2 Ų39.219%0.18720%0.204CC..PPolyproline II helixtrans-77.7136.1-179.9-164-174.9138.700111.5R259 T260 N329 R353 I355 R356 A357R259-E359 VanDerWaalsContact CA-O 3.26Å; R259-E359 WeakPolarHBondContact CA-O 3.49Å; R259-E359 WeakPolarHBondContact CB-O 3.49Å; T260-E359 PolarHBondContact N-O 2.93Å; N329-E359 PolarHBondContact ND2-OE1 3.12Å; R353-E359 IonicContact CZ-OE1 2.74Å; R353-E359 IonicContact NH1-OE1 3.67Å; R353-E359 PolarHBondContact NH1-OE1 2.91Å; R353-E359 IonicContact NH1-OE2 3.91Å; R353-E359 PolarHBondContact NH1-OE2 3.32Å; R353-E359 IonicContact NH2-OE1 3.86Å; R353-E359 PolarHBondContact NH2-OE1 3.23Å; I355-E359 HydrophobicContact CG2-CB 3.77Å; I355-E359 HydrophobicContact CG2-CG 4.12Å; R356-E359 HydrophobicContact CB-CB 4.5Å; R356-E359 PolarHBondContact N-OE2 2.81Å; R356-E359 WeakPolarHBondContact O-CB 3.46Å; R356-E359 PolarHBondContact O-N 2.78Å; R356-E359 VanDerWaalsContact O-N 3.1Å; A357-E359 VanDerWaalsContact C-N 3.33Å
360E98.7Very high88.2Confident36 Ų3645 Ų4517%0.16824%0.235CC..EExtended strand (participates in β ladder)trans-65.5134.8175-174.4176.1-171.200110.5F248 R254 V258 N323 N329 T362F248-E360 HydrophobicContact CE1-CB 4.21Å; F248-E360 HydrophobicContact CE1-CG 3.9Å; F248-E360 HydrophobicContact CZ-CB 4.05Å; F248-E360 HydrophobicContact CZ-CG 3.86Å; R254-E360 IonicContact CZ-OE1 2.7Å; R254-E360 IonicContact CZ-OE2 2.72Å; R254-E360 VanDerWaalsContact NH1-CD 3.29Å; R254-E360 IonicContact NH1-OE1 3.45Å; R254-E360 PolarHBondContact NH1-OE1 3.22Å; R254-E360 IonicContact NH1-OE2 3.28Å; R254-E360 PolarHBondContact NH1-OE2 2.7Å; R254-E360 IonicContact NH2-OE1 2.69Å; R254-E360 IonicContact NH2-OE2 2.74Å; R254-E360 PolarHBondContact NH2-OE2 2.9Å; V258-E360 CarbonylContact O-C 3.46Å; V258-E360 WeakPolarHBondContact O-CA 3.28Å; V258-E360 WeakPolarHBondContact O-CG 3.44Å; N323-E360 PolarHBondContact ND2-OE1 3.38Å; N329-E360 PolarHBondContact ND2-O 3.02Å; E360-T362 HydrophobicContact CG-CG2 3.91Å
361L98.8Very high85.3Confident0 Ų050.4 Ų50.40%027%0.271CS..EExtended strand (participates in β ladder)trans-86.7129.2173.2-59.2-177.1000108.4L245 V258 T260 I264 V270 M271 V322 N329 L330 I355L245-L361 HydrophobicContact CD2-CD1 3.87Å; V258-L361 HydrophobicContact CG1-CD1 3.99Å; V258-L361 PolarHBondContact O-N 2.91Å; T260-L361 HydrophobicContact CG2-CD2 4.37Å; I264-L361 HydrophobicContact CD1-CD2 4.29Å; V270-L361 HydrophobicContact CG1-CD1 3.87Å; M271-L361 HydrophobicContact CE-CD1 3.54Å; V322-L361 WeakPolarHBondContact CG1-O 3.31Å; N329-L361 WeakPolarHBondContact OD1-CA 3.45Å; L330-L361 HydrophobicContact CD1-CB 3.99Å; I355-L361 HydrophobicContact CD1-CD2 3.7Å; I355-L361 HydrophobicContact CG2-CD2 3.99Å
362T98.3Very high82.8Confident11 Ų1156.3 Ų56.37%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-144.9148.9-176.658.80000111N323 S325 P328 N329 L330 E360N323-T362 WeakPolarHBondContact O-CA 3.46Å; N323-T362 WeakPolarHBondContact O-CB 3.23Å; S325-T362 VanDerWaalsContact CB-OG1 3.28Å; S325-T362 WeakPolarHBondContact CB-OG1 3.45Å; P328-T362 WeakPolarHBondContact CB-O 3.32Å; N329-T362 PolarHBondContact N-O 2.84Å; N329-T362 PolarHBondContact OD1-N 3.42Å; N329-T362 PolarHBondContact OD1-O 3.36Å; L330-T362 WeakPolarHBondContact CB-O 3.48Å; L330-T362 PolarHBondContact N-O 3.37Å; E360-T362 HydrophobicContact CG-CG2 3.91Å
363F95.9Very high80.3Confident2 Ų256.2 Ų56.21%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-128.7164.8171.374.4-76.6000110.7F299 V322 N323 H324 S325 P328 L330 F349 Y365 M379F299-F363 HydrophobicContact CE2-CE2 4.3Å; V322-F363 HydrophobicContact CB-CD1 4.31Å; V322-F363 HydrophobicContact CB-CE1 4.29Å; V322-F363 HydrophobicContact CG1-CD1 3.62Å; V322-F363 HydrophobicContact CG1-CE1 4.09Å; N323-F363 PolarHBondContact O-N 3.16Å; H324-F363 VanDerWaalsContact CA-O 3.3Å; H324-F363 WeakPolarHBondContact CA-O 3.46Å; H324-F363 PolarHBondContact ND1-O 3.36Å; S325-F363 PolarHBondContact N-O 3.38Å; P328-F363 VanDerWaalsContact CB-CA 3.48Å; L330-F363 HydrophobicContact CB-CB 4.16Å; F349-F363 HydrophobicContact CE2-CD1 4.4Å; F349-F363 HydrophobicContact CZ-CD1 4.13Å; F349-F363 HydrophobicContact CZ-CD2 4.5Å; F349-F363 HydrophobicContact CZ-CE1 4.16Å; F349-F363 HydrophobicContact CZ-CG 4.3Å; F349-F363 HydrophobicContact CZ-CZ 4.37Å; F363-Y365 HydrophobicContact CD1-CD1 4.23Å; F363-Y365 AromaticContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD2-CD1 4.04Å; F363-Y365 AromaticContact CE1-CD1 3.74Å; F363-Y365 HydrophobicContact CE1-CD1 3.74Å; F363-Y365 AromaticContact CE1-CE1 3.31Å; F363-Y365 HydrophobicContact CE1-CE1 3.31Å; F363-Y365 AromaticContact CE2-CD1 3.5Å; F363-Y365 HydrophobicContact CE2-CD1 3.5Å; F363-Y365 AromaticContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CG 4.45Å; F363-Y365 HydrophobicContact CG-CD1 4.38Å; F363-Y365 AromaticContact CZ-CD1 3.33Å; F363-Y365 HydrophobicContact CZ-CD1 3.33Å; F363-Y365 AromaticContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CG 4.42Å; F363-M379 HydrophobicContact CE2-SD 4.41Å; F363-M379 HydrophobicContact CZ-CE 4.26Å; F363-M379 HydrophobicContact CZ-SD 4.13Å
364D92.6Very high77.4Confident17 Ų1759 Ų599%0.09132%0.323CS..  trans-83.1119.6172.9-173.5-3.7000109.5H324 P328 N366 M367 Q368 R408H324-D364 IonicContact CE1-OD1 2.7Å; H324-D364 PolarHBondContact CE1-OD1 3.21Å; H324-D364 VanDerWaalsContact CE1-OD1 3.23Å; H324-D364 IonicContact ND1-OD1 3.42Å; P328-D364 HydrophobicContact CG-CB 4.06Å; D364-N366 VanDerWaalsContact C-N 3.31Å; D364-N366 PolarHBondContact O-N 2.96Å; D364-N366 PolarHBondContact OD1-N 3.04Å; D364-M367 WeakPolarHBondContact O-CG 3.49Å; D364-M367 PolarHBondContact O-N 3.37Å; D364-M367 VanDerWaalsContact O-N 3.14Å; D364-Q368 PolarHBondContact OD2-N 2.71Å; D364-R408 IonicContact OD1-CZ 2.66Å; D364-R408 IonicContact OD1-NH1 3.57Å; D364-R408 IonicContact OD1-NH2 3.15Å; D364-R408 PolarHBondContact OD1-NH2 2.64Å; D364-R408 IonicContact OD2-CZ 3.2Å; D364-R408 IonicContact OD2-NH1 3.27Å; D364-R408 PolarHBondContact OD2-NH1 2.88Å; D364-R408 IonicContact OD2-NH2 3.38Å; D364-R408 PolarHBondContact OD2-NH2 3.29Å
365Y88.5Confident74.7Confident17 Ų1762.7 Ų62.77%0.06734%0.336CS..THydrogen-bonded Turntrans-68.7-33.6179.3-73.49.6000111.1T296 V322 H324 F363 M367 M379 F412T296-Y365 VanDerWaalsContact OG1-CE2 3.3Å; T296-Y365 WeakPolarHBondContact OG1-CE2 3.46Å; V322-Y365 PolarHBondContact O-OH 3.36Å; H324-Y365 HydrophobicContact CB-CD1 3.66Å; H324-Y365 HydrophobicContact CB-CD2 3.84Å; H324-Y365 HydrophobicContact CB-CE1 3.68Å; H324-Y365 HydrophobicContact CB-CE2 3.88Å; H324-Y365 HydrophobicContact CB-CG 3.75Å; H324-Y365 VanDerWaalsContact N-CE1 3.27Å; H324-Y365 PolarHBondContact N-OH 3.31Å; H324-Y365 PolarHBondContact ND1-N 2.88Å; H324-Y365 VanDerWaalsContact ND1-N 3.18Å; F363-Y365 HydrophobicContact CD1-CD1 4.23Å; F363-Y365 AromaticContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD1-CE1 3.98Å; F363-Y365 HydrophobicContact CD2-CD1 4.04Å; F363-Y365 AromaticContact CE1-CD1 3.74Å; F363-Y365 HydrophobicContact CE1-CD1 3.74Å; F363-Y365 AromaticContact CE1-CE1 3.31Å; F363-Y365 HydrophobicContact CE1-CE1 3.31Å; F363-Y365 AromaticContact CE2-CD1 3.5Å; F363-Y365 HydrophobicContact CE2-CD1 3.5Å; F363-Y365 AromaticContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CE1 3.98Å; F363-Y365 HydrophobicContact CE2-CG 4.45Å; F363-Y365 HydrophobicContact CG-CD1 4.38Å; F363-Y365 AromaticContact CZ-CD1 3.33Å; F363-Y365 HydrophobicContact CZ-CD1 3.33Å; F363-Y365 AromaticContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CE1 3.31Å; F363-Y365 HydrophobicContact CZ-CG 4.42Å; Y365-M367 PolarHBondContact O-N 3.4Å; Y365-M379 HydrophobicContact CD1-SD 3.87Å; Y365-M379 HydrophobicContact CD2-SD 3.61Å; Y365-M379 HydrophobicContact CE1-SD 4.25Å; Y365-M379 HydrophobicContact CE2-SD 4.01Å; Y365-M379 HydrophobicContact CG-SD 3.52Å; Y365-M379 VanDerWaalsContact CG-SD 3.52Å; Y365-M379 WeakPolarHBondContact O-CB 3.5Å; Y365-M379 PolarHBondContact O-N 2.84Å; Y365-F412 HydrophobicContact CD2-CE1 4.34Å; Y365-F412 AromaticContact CD2-CZ 3.84Å; Y365-F412 HydrophobicContact CD2-CZ 3.84Å
366N77.3Confident72.1Confident11 Ų1163.5 Ų63.56%0.05934%0.342CS..THydrogen-bonded Turntrans-79.6-9175.4-76.8-25.6000113D364 Q368 L411 F412D364-N366 VanDerWaalsContact C-N 3.31Å; D364-N366 PolarHBondContact O-N 2.96Å; D364-N366 PolarHBondContact OD1-N 3.04Å; N366-Q368 VanDerWaalsContact C-N 3.27Å; N366-Q368 HydrophobicContact CB-CG 4.38Å; N366-Q368 PolarHBondContact O-N 3.32Å; N366-L411 PolarHBondContact ND2-O 3.26Å; N366-F412 VanDerWaalsContact ND2-CA 3.34Å; N366-F412 WeakPolarHBondContact ND2-CA 3.35Å; N366-F412 PolarHBondContact ND2-OXT 3.17Å; N366-F412 WeakPolarHBondContact OD1-CD1 3.18Å
367M69.9Low69.9Low8 Ų854.3 Ų54.34%0.03931%0.307CS..  trans42.854.1-179.7-60.7-173.555.700111.9F299 V332 D364 Y365 V369 S376 T377 R378F299-M367 HydrophobicContact CE2-SD 3.86Å; F299-M367 HydrophobicContact CZ-CE 4.3Å; F299-M367 HydrophobicContact CZ-SD 3.49Å; F299-M367 WeakPolarHBondContact CZ-SD 3.3Å; V332-M367 HydrophobicContact CB-CE 3.27Å; V332-M367 HydrophobicContact CB-SD 4.3Å; V332-M367 HydrophobicContact CG1-CE 3.87Å; V332-M367 HydrophobicContact CG2-CE 3.29Å; V332-M367 HydrophobicContact CG2-SD 3.74Å; D364-M367 WeakPolarHBondContact O-CG 3.49Å; D364-M367 PolarHBondContact O-N 3.37Å; D364-M367 VanDerWaalsContact O-N 3.14Å; Y365-M367 PolarHBondContact O-N 3.4Å; M367-V369 VanDerWaalsContact C-N 3.26Å; M367-V369 PolarHBondContact O-N 3.27Å; M367-S376 WeakPolarHBondContact CE-OG 3.44Å; M367-T377 WeakPolarHBondContact CB-O 3.42Å; M367-T377 WeakPolarHBondContact CE-O 3.47Å; M367-T377 WeakPolarHBondContact CE-OG1 3.43Å; M367-R378 HydrophobicContact CB-CG 4.41Å
368Q55Low67.8Low133 Ų13356.9 Ų56.962%0.62130%0.303SS*.  trans-67.191.3175.4-70-170.1-3.800108.8D364 N366D364-Q368 PolarHBondContact OD2-N 2.71Å; N366-Q368 VanDerWaalsContact C-N 3.27Å; N366-Q368 HydrophobicContact CB-CG 4.38Å; N366-Q368 PolarHBondContact O-N 3.32Å
369V49.8Very low66Low36 Ų3655 Ų5522%0.21828%0.283CS..  trans-75.8136165.2-172.50000107.1M367 D373M367-V369 VanDerWaalsContact C-N 3.26Å; M367-V369 PolarHBondContact O-N 3.27Å; V369-D373 HydrophobicContact CG1-CB 3.56Å; V369-D373 WeakPolarHBondContact CG1-O 3.35Å
370D43.8Very low63.7Low121 Ų12154.2 Ų54.265%0.64728%0.28SS*.  trans-45.9137.8177-112.6-38.6000110.1V372 D373D370-V372 PolarHBondContact O-N 2.7Å; D370-D373 PolarHBondContact O-N 2.73Å
371P38.4Very low61.4Low115 Ų11554.6 Ų54.675%0.74729%0.287SS*.THydrogen-bonded Turntrans-56.7-9.2-173.6-25.232.8000115.8
372V45.7Very low58.9Low127 Ų12758.1 Ų58.177%0.7731%0.306SS*.THydrogen-bonded Turntrans-85.8-12.7178.3-166.80000112.1D370D370-V372 PolarHBondContact O-N 2.7Å
373D44.4Very low56.3Low43 Ų4359 Ų5923%0.2331%0.309CS..SBendtrans-123.438.2-174.9-71.9-34.6000112R214 V369 D370 E375R214-D373 WeakPolarHBondContact CD-OD1 3.28Å; R214-D373 IonicContact CZ-OD1 3.73Å; R214-D373 IonicContact NE-OD1 2.89Å; R214-D373 PolarHBondContact NE-OD1 3.5Å; R214-D373 IonicContact NH1-OD1 3.49Å; R214-D373 PolarHBondContact NH1-OD1 3.33Å; V369-D373 HydrophobicContact CG1-CB 3.56Å; V369-D373 WeakPolarHBondContact CG1-O 3.35Å; D370-D373 PolarHBondContact O-N 2.73Å; D373-E375 PolarHBondContact O-N 2.65Å
374M36.4Very low53.5Low156 Ų15660.6 Ų60.677%0.76833%0.326SS*.  trans-66.494.4-175.5-169.3171.769.600112.5
375E42.1Very low50.8Low140 Ų14065.3 Ų65.365%0.65435%0.35SS*.  trans-179.999.7153.8-101166.4-150.500107.6G216 D373G216-E375 WeakPolarHBondContact CA-O 3.41Å; D373-E375 PolarHBondContact O-N 2.65Å
376S43.9Very low48.3Very low17 Ų1767.2 Ų67.212%0.11937%0.37CS..  trans-160.1131-175.71660000112.2M367M367-S376 WeakPolarHBondContact CE-OG 3.44Å
377T51.9Low46.1Very low2 Ų270.4 Ų70.41%0.01241%0.405CS..  trans-23.3132.315339.20000112.5F299 D302 N334 I347 M367F299-T377 HydrophobicContact CE1-CG2 3.96Å; D302-T377 WeakPolarHBondContact OD1-CA 3.5Å; D302-T377 PolarHBondContact OD1-N 2.78Å; D302-T377 VanDerWaalsContact OD1-N 3.13Å; N334-T377 WeakPolarHBondContact OD1-CG2 3.5Å; I347-T377 HydrophobicContact CD1-CG2 3.96Å; M367-T377 WeakPolarHBondContact CB-O 3.42Å; M367-T377 WeakPolarHBondContact CE-O 3.47Å; M367-T377 WeakPolarHBondContact CE-OG1 3.43Å
378R55.7Low44.5Very low119 Ų11977.1 Ų77.145%0.44944%0.441SS..  trans-127.4150.3169.9-61-169.7179.9124.24109.6D300 M367D300-R378 PolarHBondContact N-O 3.18Å; M367-R378 HydrophobicContact CB-CG 4.41Å
379M59.5Low43.4Very low4 Ų477 Ų772%0.0245%0.452CS..BIsolated β-bridgetrans-66.9138.6159.7-149.9169.8-150.200106.8Y273 T296 L298 F363 Y365 S381Y273-M379 HydrophobicContact CE2-CE 4.5Å; T296-M379 WeakPolarHBondContact O-CE 3.27Å; L298-M379 WeakPolarHBondContact O-CG 3.34Å; F363-M379 HydrophobicContact CE2-SD 4.41Å; F363-M379 HydrophobicContact CZ-CE 4.26Å; F363-M379 HydrophobicContact CZ-SD 4.13Å; Y365-M379 HydrophobicContact CD1-SD 3.87Å; Y365-M379 HydrophobicContact CD2-SD 3.61Å; Y365-M379 HydrophobicContact CE1-SD 4.25Å; Y365-M379 HydrophobicContact CE2-SD 4.01Å; Y365-M379 HydrophobicContact CG-SD 3.52Å; Y365-M379 VanDerWaalsContact CG-SD 3.52Å; Y365-M379 WeakPolarHBondContact O-CB 3.5Å; Y365-M379 PolarHBondContact O-N 2.84Å; M379-S381 PolarHBondContact O-N 3.25Å
380D51.7Low43Very low23 Ų2379.1 Ų79.112%0.12348%0.48CS..  trans-49.6105-171.7-174.92.4000111.1L298 D300 N382 F383L298-D380 HydrophobicContact CB-CB 4.39Å; D300-D380 WeakPolarHBondContact OD2-CA 3.44Å; D300-D380 WeakPolarHBondContact OD2-CB 3.4Å; D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.01Å; D380-F383 WeakPolarHBondContact O-CB 2.94Å; D380-F383 PolarHBondContact O-N 3.13Å
381S50.7Low42.7Very low45 Ų4577.4 Ų77.432%0.31548%0.477SS..THydrogen-bonded Turntrans-78.2-6.1179.765.70000111.8M379 F383M379-S381 PolarHBondContact O-N 3.25Å; S381-F383 CarbonylContact O-C 3.58Å; S381-F383 PolarHBondContact O-N 2.8Å
382N46.4Very low42.4Very low74 Ų7477.5 Ų77.540%0.39648%0.478SS..THydrogen-bonded Turntrans-68.6-2.7165.6-63.2-32.6000112.7D380 G384 L385D380-N382 PolarHBondContact O-N 2.95Å; D380-N382 WeakPolarHBondContact OD1-CA 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.38Å; D380-N382 PolarHBondContact OD1-N 3.01Å; N382-G384 PolarHBondContact O-N 3.4Å; N382-L385 PolarHBondContact O-N 3.28Å; N382-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact OD1-CB 3.32Å
383F42.8Very low42.2Very low29 Ų2981.2 Ų81.213%0.12748%0.484CS..THydrogen-bonded Turntrans-60.164.9150.9-150.7-82.3000110.7D291 A295 T296 D380 S381 I398 F412D291-F383 HydrophobicContact CB-CE2 4.48Å; D291-F383 WeakPolarHBondContact OD1-CD2 3.2Å; D291-F383 WeakPolarHBondContact OD1-CE2 3.17Å; A295-F383 WeakPolarHBondContact O-CE2 3.42Å; T296-F383 HydrophobicContact CG2-CD1 4.39Å; T296-F383 HydrophobicContact CG2-CD2 4Å; T296-F383 HydrophobicContact CG2-CE1 4.23Å; T296-F383 HydrophobicContact CG2-CE2 3.8Å; T296-F383 HydrophobicContact CG2-CG 4.28Å; T296-F383 HydrophobicContact CG2-CZ 3.92Å; D380-F383 WeakPolarHBondContact O-CB 2.94Å; D380-F383 PolarHBondContact O-N 3.13Å; S381-F383 CarbonylContact O-C 3.58Å; S381-F383 PolarHBondContact O-N 2.8Å; F383-I398 HydrophobicContact CE1-CD1 3.37Å; F383-I398 HydrophobicContact CE1-CG1 3.97Å; F383-I398 HydrophobicContact CZ-CD1 3.63Å; F383-F412 HydrophobicContact CB-CD1 4.18Å; F383-F412 HydrophobicContact CB-CD2 3.92Å; F383-F412 HydrophobicContact CB-CE1 4.22Å; F383-F412 HydrophobicContact CB-CE2 3.97Å; F383-F412 HydrophobicContact CB-CG 4.02Å; F383-F412 HydrophobicContact CB-CZ 4.12Å; F383-F412 AromaticContact CD1-CD2 3.29Å; F383-F412 HydrophobicContact CD1-CD2 3.29Å; F383-F412 AromaticContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CG 4.17Å; F383-F412 HydrophobicContact CD1-CZ 4.26Å; F383-F412 HydrophobicContact CE1-CD2 4.12Å; F383-F412 AromaticContact CE1-CE2 3.97Å; F383-F412 HydrophobicContact CE1-CE2 3.97Å; F383-F412 AromaticContact CG-CD2 3.86Å; F383-F412 HydrophobicContact CG-CD2 3.86Å; F383-F412 AromaticContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CG 4.46Å; F383-F412 HydrophobicContact CG-CZ 4.14Å; F383-F412 WeakPolarHBondContact O-CB 3.4Å
384G37.2Very low42.3Very low36 Ų3689.1 Ų89.137%0.37152%0.516SS..THydrogen-bonded Turntrans138.4-3.6-170.400000117.6N382 R395N382-G384 PolarHBondContact O-N 3.4Å; G384-R395 WeakPolarHBondContact O-CD 3.49Å; G384-R395 PolarHBondContact O-NE 3.19Å; G384-R395 PolarHBondContact O-NH1 3.16Å
385L35.7Very low43.1Very low115 Ų11588.6 Ų88.660%0.60251%0.506SS*.  trans-122.887.6-176.6-102.5110.3000114.1N382N382-L385 PolarHBondContact O-N 3.28Å; N382-L385 VanDerWaalsContact O-N 3.16Å; N382-L385 WeakPolarHBondContact OD1-CB 3.32Å
386A36.3Very low44.1Very low58 Ų5888 Ų8848%0.47951%0.511SS..  trans-107.395.5165.500000111.4R395A386-R395 VanDerWaalsContact N-NH2 3.13Å; A386-R395 PolarHBondContact O-NH2 3.14Å
387G30.3Very low45.6Very low78 Ų7895.6 Ų95.680%0.80454%0.538SS*.  trans-104.828.7-177.400000115.5
388L37.7Very low47Very low149 Ų14997.7 Ų97.778%0.7855%0.548SS*.SBendtrans-103139.3175.2-76.4164.5000111.4G390L388-G390 PolarHBondContact O-N 2.8Å
389P31.5Very low48.7Very low131 Ų13198.2 Ų98.285%0.85156%0.556SS**THydrogen-bonded Turntrans-74.3113.4-178.320.6-14.8000110.6
390G41.2Very low50.2Low79 Ų7998.4 Ų98.481%0.81456%0.558SS**THydrogen-bonded Turntrans141.4-1.8168.300000118.3L388L388-G390 PolarHBondContact O-N 2.8Å
391S36.4Very low52.2Low85 Ų85101.9 Ų101.959%0.59457%0.571SS**  trans-96.1120.9-176.349.60000113.5K393S391-K393 PolarHBondContact O-N 3.24Å
392P32.7Very low54.3Low117 Ų117100.7 Ų100.776%0.7656%0.563SS**  trans-90.2102.4175.332.2-26.7000110.3
393K42.2Very low56.6Low205 Ų205100.8 Ų100.889%0.89158%0.582SS**  trans179.2127.5150-97.4156.1-165.3-172.40111.2S391 R395S391-K393 PolarHBondContact O-N 3.24Å; K393-R395 PolarHBondContact O-N 2.66Å
394K46.1Very low59Low210 Ų210101 Ų10191%0.91359%0.585SS**  trans-59125.6173-79.8177172.81780109.9
395R54Low61.7Low144 Ų144109.2 Ų109.254%0.54361%0.614SS.*  trans-58138.3179.1-57.7-179.3-1711604.8111.4G384 A386 K393G384-R395 WeakPolarHBondContact O-CD 3.49Å; G384-R395 PolarHBondContact O-NE 3.19Å; G384-R395 PolarHBondContact O-NH1 3.16Å; A386-R395 VanDerWaalsContact N-NH2 3.13Å; A386-R395 PolarHBondContact O-NH2 3.14Å; K393-R395 PolarHBondContact O-N 2.66Å
396V62.5Low64.4Low128 Ų128107.5 Ų107.578%0.77661%0.611SS**  trans-92104.8175.5-178.20000108.3I398V396-I398 PolarHBondContact O-N 2.99Å
397R74.9Confident67.1Low177 Ų177105.7 Ų105.767%0.66860%0.595SS**PPolyproline II helixtrans-74.6123.7170.3-66.7-174.7173.6177-3.7109.1Y410R397-Y410 HydrophobicContact CB-CD1 3.44Å; R397-Y410 VanDerWaalsContact CB-CD1 3.44Å; R397-Y410 HydrophobicContact CB-CE1 3.58Å; R397-Y410 HydrophobicContact CB-CG 4.19Å; R397-Y410 HydrophobicContact CG-CD1 4.33Å; R397-Y410 HydrophobicContact CG-CE1 4.42Å
398I82.2Confident70.1Confident46 Ų46105.3 Ų105.324%0.23657%0.57CS.*PPolyproline II helixtrans-81.4123.5176.2-56.6-177.2000109F383 V396 Y410 L411F383-I398 HydrophobicContact CE1-CD1 3.37Å; F383-I398 HydrophobicContact CE1-CG1 3.97Å; F383-I398 HydrophobicContact CZ-CD1 3.63Å; V396-I398 PolarHBondContact O-N 2.99Å; I398-Y410 WeakPolarHBondContact O-CA 3.34Å; I398-L411 HydrophobicContact CB-CD1 3.91Å; I398-L411 HydrophobicContact CB-CG 4.22Å; I398-L411 HydrophobicContact CG2-CD1 3.47Å; I398-L411 VanDerWaalsContact CG2-CD1 3.47Å; I398-L411 HydrophobicContact CG2-CG 3.98Å; I398-L411 PolarHBondContact O-N 2.66Å; I398-L411 VanDerWaalsContact O-N 3.07Å
399E89.8Confident72.6Confident129 Ų129105 Ų10560%0.60356%0.562SS**BIsolated β-bridgetrans-65.1130.1178.1-176-179.4-154.500111K409E399-K409 WeakPolarHBondContact CA-O 3.48Å
400C92.9Very high75.2Confident9 Ų9103.2 Ų103.26%0.06154%0.539CS..PPolyproline II helixtrans-80.3124.5173.8179.10000110.6H324 C402 C407 K409 L411H324-C400 PolarHBondContact CD2-SG 2.66Å; C400-C402 PolarHBondContact SG-SG 2.89Å; C400-C407 VanDerWaalsContact SG-SG 3.63Å; C400-K409 PolarHBondContact N-O 3.37Å; C400-L411 HydrophobicContact CB-CD2 3.98Å
401K93.9Very high77.2Confident95 Ų95100.7 Ų100.741%0.41351%0.506SS..  trans-113.830.2179.2-59.9-173.2178.7-178.50113.2D252 R254 G403D252-K401 VanDerWaalsContact O-CD 3.3Å; D252-K401 WeakPolarHBondContact O-CD 3.28Å; D252-K401 PolarHBondContact O-NZ 3.5Å; R254-K401 HydrophobicContact CG-CB 3.93Å; R254-K401 PolarHBondContact NE-O 3.23Å; K401-G403 PolarHBondContact O-N 3.33Å
402C94.4Very high79.1Confident20 Ų20100.1 Ų100.114%0.13549%0.494CS..  trans-67.7-15.7-177.868.20000114.3C400 T404C400-C402 PolarHBondContact SG-SG 2.89Å; C402-T404 VanDerWaalsContact C-N 3.25Å; C402-T404 HydrophobicContact CB-CG2 4.4Å; C402-T404 PolarHBondContact O-N 3.32Å; C402-T404 PolarHBondContact SG-OG1 3.04Å; C402-T404 VanDerWaalsContact SG-OG1 3.35Å
403G93.5Very high81.4Confident77 Ų7799.3 Ų99.379%0.79448%0.48SS*.  trans75.83.7176.100000115.4K401K401-G403 PolarHBondContact O-N 3.33Å
404T93.8Very high83.5Confident32 Ų3293.7 Ų93.720%0.19646%0.459CS..  trans-77.6148.2178.872.20000111.4D327 C402 S406 C407D327-T404 HydrophobicContact CB-CG2 3.8Å; C402-T404 VanDerWaalsContact C-N 3.25Å; C402-T404 HydrophobicContact CB-CG2 4.4Å; C402-T404 PolarHBondContact O-N 3.32Å; C402-T404 PolarHBondContact SG-OG1 3.04Å; C402-T404 VanDerWaalsContact SG-OG1 3.35Å; T404-S406 PolarHBondContact O-N 2.94Å; T404-C407 WeakPolarHBondContact O-CB 3.41Å; T404-C407 PolarHBondContact O-N 2.98Å; T404-C407 VanDerWaalsContact O-N 3.16Å; T404-C407 PolarHBondContact OG1-N 3.42Å
405E93.6Very high85.6Confident210 Ų21087.3 Ų87.398%0.98143%0.433SS*.THydrogen-bonded Turntrans-63.5-32.6177.5-64.9-176.817500112.1C407E405-C407 VanDerWaalsContact C-N 3.28Å; E405-C407 PolarHBondContact O-N 3.49Å
406S92.1Very high87.5Confident78 Ų7883.9 Ų83.955%0.54543%0.427SS..THydrogen-bonded Turntrans-85.814.9176.855.30000114T404 R408T404-S406 PolarHBondContact O-N 2.94Å; S406-R408 PolarHBondContact O-N 3.11Å
407C93.7Very high89Confident21 Ų2181.2 Ų81.214%0.14241%0.405CS..  trans-58.2128-176.1174.20000112.9C400 T404 E405 K409C400-C407 VanDerWaalsContact SG-SG 3.63Å; T404-C407 WeakPolarHBondContact O-CB 3.41Å; T404-C407 PolarHBondContact O-N 2.98Å; T404-C407 VanDerWaalsContact O-N 3.16Å; T404-C407 PolarHBondContact OG1-N 3.42Å; E405-C407 VanDerWaalsContact C-N 3.28Å; E405-C407 PolarHBondContact O-N 3.49Å; C407-K409 PolarHBondContact O-N 3.27Å; C407-K409 VanDerWaalsContact O-N 3.13Å; C407-K409 PolarHBondContact SG-N 3.37Å
408R92.6Very high90Very high70 Ų7074.8 Ų74.826%0.26439%0.388SS..  trans-745.5179.1-59.2-172.9-59-109.71.1114.6H324 C326 D364 S406 Y410H324-R408 PolarHBondContact CE1-NH2 2.96Å; H324-R408 VanDerWaalsContact CE1-NH2 3.25Å; C326-R408 HydrophobicContact CB-CG 4.46Å; C326-R408 PolarHBondContact SG-N 2.77Å; D364-R408 IonicContact OD1-CZ 2.66Å; D364-R408 IonicContact OD1-NH1 3.57Å; D364-R408 IonicContact OD1-NH2 3.15Å; D364-R408 PolarHBondContact OD1-NH2 2.64Å; D364-R408 IonicContact OD2-CZ 3.2Å; D364-R408 IonicContact OD2-NH1 3.27Å; D364-R408 PolarHBondContact OD2-NH1 2.88Å; D364-R408 IonicContact OD2-NH2 3.38Å; D364-R408 PolarHBondContact OD2-NH2 3.29Å; S406-R408 PolarHBondContact O-N 3.11Å; R408-Y410 PolarHBondContact O-N 3.48Å
409K90.1Very high90.5Very high141 Ų14176.9 Ų76.961%0.61340%0.398SS*.SBendtrans68.1-25.6-179.9-51.3-60.3-179.8-175.20116.5E399 C400 C407E399-K409 WeakPolarHBondContact CA-O 3.48Å; C400-K409 PolarHBondContact N-O 3.37Å; C407-K409 PolarHBondContact O-N 3.27Å; C407-K409 VanDerWaalsContact O-N 3.13Å; C407-K409 PolarHBondContact SG-N 3.37Å
410Y87.7Confident90.6Very high94 Ų9472.8 Ų72.837%0.36938%0.383SS..BIsolated β-bridgetrans-127.9151.4178.4-58.5-72.9000110.9R397 I398 R408R397-Y410 HydrophobicContact CB-CD1 3.44Å; R397-Y410 VanDerWaalsContact CB-CD1 3.44Å; R397-Y410 HydrophobicContact CB-CE1 3.58Å; R397-Y410 HydrophobicContact CB-CG 4.19Å; R397-Y410 HydrophobicContact CG-CD1 4.33Å; R397-Y410 HydrophobicContact CG-CE1 4.42Å; I398-Y410 WeakPolarHBondContact O-CA 3.34Å; R408-Y410 PolarHBondContact O-N 3.48Å
411L83.3Confident90.4Very high26 Ų2678.2 Ų78.214%0.13641%0.409CS..  trans-64.8-43.8177.9-63.3-175.4000111.3H324 N366 I398 C400H324-L411 HydrophobicContact CB-CD2 3.91Å; H324-L411 VanDerWaalsContact CD2-CD2 3.48Å; H324-L411 WeakPolarHBondContact CD2-CD2 3.46Å; N366-L411 PolarHBondContact ND2-O 3.26Å; I398-L411 HydrophobicContact CB-CD1 3.91Å; I398-L411 HydrophobicContact CB-CG 4.22Å; I398-L411 HydrophobicContact CG2-CD1 3.47Å; I398-L411 VanDerWaalsContact CG2-CD1 3.47Å; I398-L411 HydrophobicContact CG2-CG 3.98Å; I398-L411 PolarHBondContact O-N 2.66Å; I398-L411 VanDerWaalsContact O-N 3.07Å; C400-L411 HydrophobicContact CB-CD2 3.98Å
412F75.8Confident90.1Very high74 Ų7476.6 Ų76.633%0.32541%0.409SS..  trans-1130-179.1-55.9-81.5000111.6T296 Y365 N366 F383T296-F412 HydrophobicContact CG2-CE2 3.42Å; T296-F412 VanDerWaalsContact CG2-CE2 3.42Å; T296-F412 HydrophobicContact CG2-CZ 3.43Å; T296-F412 VanDerWaalsContact CG2-CZ 3.43Å; Y365-F412 HydrophobicContact CD2-CE1 4.34Å; Y365-F412 AromaticContact CD2-CZ 3.84Å; Y365-F412 HydrophobicContact CD2-CZ 3.84Å; N366-F412 VanDerWaalsContact ND2-CA 3.34Å; N366-F412 WeakPolarHBondContact ND2-CA 3.35Å; N366-F412 PolarHBondContact ND2-OXT 3.17Å; N366-F412 WeakPolarHBondContact OD1-CD1 3.18Å; F383-F412 HydrophobicContact CB-CD1 4.18Å; F383-F412 HydrophobicContact CB-CD2 3.92Å; F383-F412 HydrophobicContact CB-CE1 4.22Å; F383-F412 HydrophobicContact CB-CE2 3.97Å; F383-F412 HydrophobicContact CB-CG 4.02Å; F383-F412 HydrophobicContact CB-CZ 4.12Å; F383-F412 AromaticContact CD1-CD2 3.29Å; F383-F412 HydrophobicContact CD1-CD2 3.29Å; F383-F412 AromaticContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CE2 3.35Å; F383-F412 HydrophobicContact CD1-CG 4.17Å; F383-F412 HydrophobicContact CD1-CZ 4.26Å; F383-F412 HydrophobicContact CE1-CD2 4.12Å; F383-F412 AromaticContact CE1-CE2 3.97Å; F383-F412 HydrophobicContact CE1-CE2 3.97Å; F383-F412 AromaticContact CG-CD2 3.86Å; F383-F412 HydrophobicContact CG-CD2 3.86Å; F383-F412 AromaticContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CE2 3.68Å; F383-F412 HydrophobicContact CG-CG 4.46Å; F383-F412 HydrophobicContact CG-CZ 4.14Å; F383-F412 WeakPolarHBondContact O-CB 3.4Å

Retrieved 412 of 412 residues in 960.1 ms (Link to these results)