SKI8_HUMAN Loading...

Superkiller complex protein 8

Component of the PAF1 complex (PAF1C) which has multiple functions during transcription by RNA polymerase II and is implicated in regulation of development and maintenance of embryonic stem cell pluripotency^1,2,3. PAF1C associates with RNA polymerase II through interaction with POLR2A CTD non-phosphorylated and 'Ser-2'- and 'Ser-5'-phosphorylated forms and is involved in transcriptional elongation, acting both independently and synergistically with TCEA1 and in cooperation with the DSIF complex and HTATSF1^4,5,6. PAF1C is required for transcription of Hox and Wnt target genes^7,8,9. PAF1C is involved in hematopoiesis and stimulates transcriptional activity of KMT2A/MLL1; it promotes leukemogenesis through association with KMT2A/MLL1-rearranged oncoproteins, such as KMT2A/MLL1-MLLT3/AF9 and KMT2A/MLL1-MLLT1/ENL^10,11,12. PAF1C is involved in histone modifications such as ubiquitination of histone H2B and methylation on histone H3 'Lys-4' (H3K4me3)^13,14,15. PAF1C recruits the RNF20/40 E3 ubiquitin-protein ligase complex and the E2 enzyme UBE2A or UBE2B to chromatin which mediate monoubiquitination of 'Lys-120' of histone H2B (H2BK120ub1); UB2A/B-mediated H2B ubiquitination is proposed to be coupled to transcription^16,17,18. PAF1C is involved in mRNA 3' end formation probably through association with cleavage and poly(A) factors^19,20,21. In case of infection by influenza A strain H3N2, PAF1C associates with viral NS1 protein, thereby regulating gene transcription^22,23,24. Required for mono- and trimethylation on histone H3 'Lys-4' (H3K4me3), dimethylation on histone H3 'Lys-79' (H3K4me3). Required for Hox gene transcription^25,26,27. Also acts as a component of the SKI complex, a multiprotein complex that assists the RNA-degrading exosome during the mRNA decay and quality-control pathways^28,29,30. The SKI complex catalyzes mRNA extraction from 80S ribosomal complexes in the 3'-5' direction and channels mRNA to the cytosolic exosome for degradation^31,32. SKI-mediated extraction of mRNA from stalled ribosomes allow binding of the Pelota-HBS1L complex and subsequent ribosome disassembly by ABCE1 for ribosome recycling³³.

AlphaFold DB , UniProt , Accession Q9GZS3, Species HUMAN (Homo sapiens, Human), Gene SKIC8, Length 305 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	46	Very low	84.5	Confident	228 Å²	228	89.5 Å²	89.5	100%	1.123	46%	0.459	S	S	*	.				0	132	0	-74.5	173	-122.2	0	0	106	N3	M1-N3 PolarHBondContact O-N 2.74Å
2	T	52.6	Low	85.6	Confident	123 Å²	123	92.3 Å²	92.3	76%	0.755	47%	0.468	S	S	*	.			trans	-62.6	113.4	170.5	29.6	0	0	0	0	107.3	Q4	T2-Q4 PolarHBondContact O-N 3.14Å; T2-Q4 VanDerWaalsContact O-N 3.14Å
3	N	66	Low	86.4	Confident	110 Å²	110	97.7 Å²	97.7	59%	0.588	49%	0.491	S	S	*	.			trans	-56.4	120.9	174.6	-73.9	4.4	0	0	0	107.4	M1 P304	M1-N3 PolarHBondContact O-N 2.74Å; N3-P304 HydrophobicContact CB-CB 3.66Å; N3-P304 WeakPolarHBondContact O-CB 3.41Å; N3-P304 WeakPolarHBondContact O-CG 3.38Å
4	Q	88.1	Confident	87.3	Confident	147 Å²	147	90.7 Å²	90.7	69%	0.687	46%	0.456	S	S	*	.			trans	-114.4	147.9	176.5	-75.9	-178	-4.8	0	0	106.9	T2 G6	T2-Q4 PolarHBondContact O-N 3.14Å; T2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-G6 PolarHBondContact O-N 3.17Å
5	Y	94.8	Very high	88.1	Confident	54 Å²	54	84.7 Å²	84.7	21%	0.212	43%	0.425	C	S	.	.	S	Bend	trans	-53.1	125.9	168.1	-63.7	-83.2	0	0	0	108.9	V258 H268 F270 C303 P304	Y5-V258 HydrophobicContact CD1-CG2 4.44Å; Y5-V258 HydrophobicContact CE1-CB 4.4Å; Y5-V258 HydrophobicContact CE1-CG1 4.22Å; Y5-V258 HydrophobicContact CE1-CG2 4.17Å; Y5-H268 WeakPolarHBondContact CB-CD2 3.41Å; Y5-H268 VanDerWaalsContact CB-CG 3.46Å; Y5-H268 WeakPolarHBondContact CB-NE2 3.37Å; Y5-H268 HydrophobicContact CD1-CB 3.98Å; Y5-H268 HydrophobicContact CD2-CB 3.91Å; Y5-H268 AromaticContact CD2-CG 3.91Å; Y5-H268 AromaticContact CD2-ND1 4Å; Y5-H268 HydrophobicContact CE1-CB 4.31Å; Y5-H268 HydrophobicContact CE2-CB 4.25Å; Y5-H268 HydrophobicContact CG-CB 3.78Å; Y5-H268 AromaticContact CG-CD2 3.89Å; Y5-H268 AromaticContact CG-CG 3.58Å; Y5-H268 AromaticContact CG-ND1 3.95Å; Y5-F270 HydrophobicContact CD1-CZ 4.11Å; Y5-C303 VanDerWaalsContact CE1-SG 3.56Å; Y5-P304 HydrophobicContact CD1-CG 4.33Å; Y5-P304 HydrophobicContact CD2-CG 4.02Å; Y5-P304 HydrophobicContact CE1-CG 4.4Å; Y5-P304 HydrophobicContact CE2-CG 4.1Å; Y5-P304 HydrophobicContact CG-CG 4.13Å
6	G	95.3	Very high	88.7	Confident	27 Å²	27	87.6 Å²	87.6	28%	0.278	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	160.7	-179.4	0	0	0	0	0	111.4	Q4 Y301 D302	Q4-G6 PolarHBondContact O-N 3.17Å; G6-Y301 CarbonylContact O-C 3.55Å; G6-Y301 VanDerWaalsContact O-CA 3.3Å; G6-Y301 WeakPolarHBondContact O-CA 3.33Å; G6-D302 PolarHBondContact O-N 3.3Å
7	I	96.3	Very high	89.3	Confident	63 Å²	63	86.8 Å²	86.8	32%	0.323	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.2	173.7	-167.6	138.3	0	0	0	110.4	K10 D272 H299 Y301	I7-K10 HydrophobicContact CD1-CD 4.1Å; I7-K10 HydrophobicContact CD1-CG 3.72Å; I7-K10 HydrophobicContact CG1-CG 4.11Å; I7-D272 HydrophobicContact CD1-CB 3.7Å; I7-H299 HydrophobicContact CD1-CB 4.02Å; I7-Y301 HydrophobicContact CB-CD1 4.1Å; I7-Y301 HydrophobicContact CB-CE1 4.41Å; I7-Y301 HydrophobicContact CD1-CD1 4.18Å; I7-Y301 HydrophobicContact CD1-CE1 3.76Å; I7-Y301 HydrophobicContact CG1-CD1 4.28Å; I7-Y301 HydrophobicContact CG1-CE1 4.36Å
8	L	95.9	Very high	89.8	Confident	58 Å²	58	82.2 Å²	82.2	30%	0.304	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-43.7	175.8	-71.3	172.6	0	0	0	111.2	K288 I300 D302	L8-K288 HydrophobicContact CD1-CD 4.2Å; L8-K288 HydrophobicContact CD1-CG 4.19Å; L8-I300 WeakPolarHBondContact CA-O 3.46Å; L8-I300 WeakPolarHBondContact CB-O 3.38Å; L8-I300 PolarHBondContact N-O 2.86Å; L8-D302 HydrophobicContact CD1-CB 3.71Å; L8-D302 HydrophobicContact CD2-CB 3.98Å; L8-D302 HydrophobicContact CG-CB 3.76Å
9	F	97.6	Very high	90.3	Very high	44 Å²	44	77.9 Å²	77.9	19%	0.193	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	146.7	-173	-177.2	-99.3	0	0	0	112	Q11 W49 R53 L54 I300	F9-Q11 HydrophobicContact CE1-CB 3.93Å; F9-W49 HydrophobicContact CB-CH2 3.75Å; F9-W49 HydrophobicContact CB-CZ3 3.73Å; F9-W49 HydrophobicContact CD1-CZ3 4.04Å; F9-W49 HydrophobicContact CG-CH2 4.42Å; F9-W49 AromaticContact CG-CZ3 3.96Å; F9-W49 HydrophobicContact CG-CZ3 3.96Å; F9-R53 HydrophobicContact CD2-CB 4.01Å; F9-R53 HydrophobicContact CE2-CB 3.67Å; F9-R53 HydrophobicContact CZ-CB 4.09Å; F9-L54 HydrophobicContact CD1-CB 4.39Å; F9-L54 HydrophobicContact CD1-CD1 4.25Å; F9-L54 HydrophobicContact CD1-CG 4.12Å; F9-L54 HydrophobicContact CE1-CB 3.76Å; F9-L54 HydrophobicContact CE1-CD1 4.13Å; F9-L54 HydrophobicContact CE1-CG 3.97Å; F9-L54 HydrophobicContact CZ-CB 4.49Å; F9-I300 HydrophobicContact CB-CB 4.21Å; F9-I300 HydrophobicContact CB-CG1 4.47Å; F9-I300 HydrophobicContact CD1-CG1 4.44Å; F9-I300 PolarHBondContact N-O 3.42Å; F9-I300 VanDerWaalsContact N-O 3.13Å; F9-I300 PolarHBondContact O-N 3.33Å
10	K	98.2	Very high	90.7	Very high	78 Å²	78	77 Å²	77	34%	0.339	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.7	172.4	-57.8	-163	164.6	-165.5	0	109.8	I7 D272 H299	I7-K10 HydrophobicContact CD1-CD 4.1Å; I7-K10 HydrophobicContact CD1-CG 3.72Å; I7-K10 HydrophobicContact CG1-CG 4.11Å; K10-D272 IonicContact NZ-OD1 2.91Å; K10-H299 WeakPolarHBondContact CD-NE2 3.39Å; K10-H299 WeakPolarHBondContact CE-NE2 3.2Å; K10-H299 VanDerWaalsContact CG-CD2 3.47Å; K10-H299 WeakPolarHBondContact CG-CD2 3.47Å
11	Q	98.4	Very high	91.1	Very high	53 Å²	53	74.1 Å²	74.1	25%	0.248	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	97.9	162.9	-173.8	57.4	64.2	0	0	108.5	F9 A14 W47 L54 E297 I298	F9-Q11 HydrophobicContact CE1-CB 3.93Å; Q11-A14 HydrophobicContact CB-CB 4.36Å; Q11-A14 HydrophobicContact CG-CB 3.76Å; Q11-W47 HydrophobicContact CG-CH2 4.01Å; Q11-W47 HydrophobicContact CG-CZ3 3.92Å; Q11-L54 HydrophobicContact CB-CD1 4.35Å; Q11-E297 WeakPolarHBondContact O-CA 3.26Å; Q11-I298 HydrophobicContact CB-CB 4.1Å; Q11-I298 PolarHBondContact N-O 3.16Å; Q11-I298 PolarHBondContact O-N 2.59Å
12	E	97.6	Very high	93.6	Very high	122 Å²	122	63.5 Å²	63.5	57%	0.57	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	150	168.8	-59.3	179.8	-170.9	0	0	109.6	A14	E12-A14 PolarHBondContact O-N 3.44Å
13	Q	96.9	Very high	95.8	Very high	163 Å²	163	57.9 Å²	57.9	76%	0.762	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	43	178.3	-59.1	178.2	-16.6	0	0	112.3	H15	Q13-H15 PolarHBondContact O-N 3.32Å
14	A	98.5	Very high	97.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-65.8	-30.2	179.5	0	0	0	0	0	111.1	Q11 E12 I19 K45 W47 Q296 I298	Q11-A14 HydrophobicContact CB-CB 4.36Å; Q11-A14 HydrophobicContact CG-CB 3.76Å; E12-A14 PolarHBondContact O-N 3.44Å; A14-I19 HydrophobicContact CB-CD1 3.87Å; A14-K45 VanDerWaalsContact O-CD 3.24Å; A14-K45 WeakPolarHBondContact O-CD 3.45Å; A14-K45 WeakPolarHBondContact O-CE 3.37Å; A14-K45 PolarHBondContact O-NZ 3.05Å; A14-W47 HydrophobicContact CB-CH2 4.03Å; A14-W47 HydrophobicContact CB-CZ2 3.9Å; A14-W47 WeakPolarHBondContact O-CZ2 3.47Å; A14-Q296 PolarHBondContact N-O 2.93Å; A14-I298 HydrophobicContact CB-CD1 3.63Å; A14-I298 HydrophobicContact CB-CG1 3.61Å
15	H	98.7	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-137.3	166.3	174.2	-79.9	-94.5	0	0	0	110.2	Q13 D17 I19 T37 S39 D41 K45 Q296	Q13-H15 PolarHBondContact O-N 3.32Å; H15-D17 VanDerWaalsContact C-N 3.32Å; H15-D17 WeakPolarHBondContact CB-O 3.3Å; H15-I19 HydrophobicContact CB-CD1 4.28Å; H15-I19 HydrophobicContact CB-CG1 3.89Å; H15-T37 PolarHBondContact NE2-OG1 3.36Å; H15-S39 VanDerWaalsContact CG-CB 3.4Å; H15-S39 WeakPolarHBondContact ND1-CB 3.45Å; H15-D41 WeakPolarHBondContact CA-OD2 3.38Å; H15-D41 VanDerWaalsContact CB-OD2 3.23Å; H15-D41 WeakPolarHBondContact CB-OD2 3.48Å; H15-D41 IonicContact CE1-OD1 3.37Å; H15-D41 IonicContact CG-OD2 2.76Å; H15-D41 VanDerWaalsContact ND1-CG 3.3Å; H15-D41 IonicContact ND1-OD1 2.99Å; H15-D41 PolarHBondContact ND1-OD1 3.2Å; H15-D41 IonicContact ND1-OD2 3.59Å; H15-D41 PolarHBondContact ND1-OD2 3.19Å; H15-K45 VanDerWaalsContact CE1-CG 3.5Å; H15-K45 WeakPolarHBondContact CE1-CG 3.44Å; H15-Q296 PolarHBondContact O-OE1 2.8Å
16	D	98.2	Very high	97.4	Very high	132 Å²	132	47.5 Å²	47.5	71%	0.706	25%	0.245	S	C	*	.	S	Bend	trans	-87.4	-6.8	177.8	-66.8	-36.6	0	0	0	112.5	D41 Q296	D16-D41 HydrophobicContact CB-CB 4.31Å; D16-D41 PolarHBondContact N-OD2 3.17Å; D16-Q296 PolarHBondContact O-NE2 3.27Å; D16-Q296 VanDerWaalsContact O-NE2 3.11Å
17	D	98.5	Very high	96.8	Very high	73 Å²	73	47.8 Å²	47.8	39%	0.39	24%	0.24	S	C	.	.	S	Bend	trans	-144.9	174.1	177	-151	-22.4	0	0	0	110.8	H15 S39 L40 D41	H15-D17 VanDerWaalsContact C-N 3.32Å; H15-D17 WeakPolarHBondContact CB-O 3.3Å; D17-S39 PolarHBondContact O-OG 3.01Å; D17-L40 HydrophobicContact CB-CB 3.96Å; D17-D41 HydrophobicContact CB-CB 3.99Å
18	A	98.6	Very high	95.8	Very high	5 Å²	5	54 Å²	54	4%	0.041	27%	0.265	C	S	.	.			trans	-50	137.6	-176.6	0	0	0	0	0	113.1	S39 L40 D294	A18-S39 VanDerWaalsContact O-CA 3.25Å; A18-S39 WeakPolarHBondContact O-CA 3.25Å; A18-S39 WeakPolarHBondContact O-CB 3.49Å; A18-S39 PolarHBondContact O-OG 2.9Å; A18-L40 HydrophobicContact CB-CD1 4.09Å; A18-L40 HydrophobicContact CB-CG 4.39Å; A18-L40 PolarHBondContact O-N 2.81Å; A18-D294 HydrophobicContact CB-CB 4.45Å; A18-D294 WeakPolarHBondContact CB-OD1 3.44Å
19	I	98.9	Very high	94.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.7	179.1	-51.3	170	0	0	0	108.2	A14 H15 T37 G38 V292 G293 I298	A14-I19 HydrophobicContact CB-CD1 3.87Å; H15-I19 HydrophobicContact CB-CD1 4.28Å; H15-I19 HydrophobicContact CB-CG1 3.89Å; I19-T37 HydrophobicContact CG2-CG2 4.16Å; I19-G38 WeakPolarHBondContact CG2-O 3.33Å; I19-V292 HydrophobicContact CB-CB 3.87Å; I19-V292 HydrophobicContact CB-CG2 4.21Å; I19-V292 HydrophobicContact CG2-CB 3.6Å; I19-V292 HydrophobicContact CG2-CG1 3.97Å; I19-V292 HydrophobicContact CG2-CG2 3.7Å; I19-G293 PolarHBondContact N-O 2.79Å; I19-I298 HydrophobicContact CD1-CG1 4.07Å
20	W	98.6	Very high	93.7	Very high	59 Å²	59	64 Å²	64	22%	0.223	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-25.4	-172.8	-80.3	16.8	0	0	0	113.7	G38 L40 V68 W110 W278	W20-G38 PolarHBondContact N-O 2.83Å; W20-L40 HydrophobicContact CD2-CD2 3.8Å; W20-L40 HydrophobicContact CD2-CG 4.19Å; W20-L40 HydrophobicContact CE3-CD2 4.03Å; W20-L40 HydrophobicContact CG-CD2 4.4Å; W20-L40 HydrophobicContact CG-CG 4.43Å; W20-L40 HydrophobicContact CH2-CD2 4Å; W20-L40 HydrophobicContact CZ2-CD1 3.73Å; W20-L40 HydrophobicContact CZ2-CD2 3.78Å; W20-L40 HydrophobicContact CZ2-CG 4.15Å; W20-L40 HydrophobicContact CZ3-CD2 4.12Å; W20-V68 HydrophobicContact CE3-CG1 4.15Å; W20-V68 HydrophobicContact CE3-CG2 4.44Å; W20-V68 HydrophobicContact CZ3-CG1 4.34Å; W20-V68 HydrophobicContact CZ3-CG2 4.38Å; W20-W110 HydrophobicContact CZ3-CH2 4.25Å; W20-W278 AromaticContact CD1-CD1 3.81Å; W20-W278 AromaticContact CD1-NE1 3.87Å; W20-W278 AromaticContact NE1-CE2 3.99Å; W20-W278 AromaticContact NE1-NE1 3.78Å
21	S	98.8	Very high	92.8	Very high	17 Å²	17	67 Å²	67	12%	0.119	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.2	-173.1	-161.8	0	0	0	0	112	T37 G38 V70	S21-T37 WeakPolarHBondContact O-CA 3.26Å; S21-G38 PolarHBondContact N-O 3.34Å; S21-G38 PolarHBondContact O-N 3.35Å; S21-V70 PolarHBondContact OG-N 2.68Å
22	V	98.9	Very high	92.2	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141	176.6	66.4	0	0	0	0	110.5	V35 V36 T37 K281 V290 V292	V22-V35 HydrophobicContact CG2-CG1 3.61Å; V22-V36 CarbonylContact C-O 3.59Å; V22-V36 VanDerWaalsContact CA-O 3.28Å; V22-V36 WeakPolarHBondContact CA-O 3.49Å; V22-T37 HydrophobicContact CB-CG2 4.43Å; V22-T37 HydrophobicContact CG2-CG2 4Å; V22-K281 HydrophobicContact CG1-CG 4.36Å; V22-K281 WeakPolarHBondContact O-CG 3.29Å; V22-V290 HydrophobicContact CG1-CG1 4.15Å; V22-V290 HydrophobicContact CG2-CG1 3.74Å; V22-V290 HydrophobicContact CG2-CG2 3.93Å; V22-V292 HydrophobicContact CB-CB 4.48Å; V22-V292 HydrophobicContact CB-CG1 3.82Å; V22-V292 HydrophobicContact CB-CG2 3.77Å; V22-V292 HydrophobicContact CG1-CG1 4.19Å; V22-V292 HydrophobicContact CG1-CG2 3.78Å; V22-V292 HydrophobicContact CG2-CG1 4.02Å
23	A	98.6	Very high	92.1	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.033	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.6	170.1	0	0	0	0	0	109.8	V35 V36 V70 I72	A23-V35 CarbonylContact O-C 3.53Å; A23-V35 WeakPolarHBondContact O-CA 3.47Å; A23-V36 PolarHBondContact N-O 2.91Å; A23-V36 PolarHBondContact O-N 3.13Å; A23-V70 HydrophobicContact CB-CG2 4.26Å; A23-I72 HydrophobicContact CB-CD1 3.78Å; A23-I72 HydrophobicContact CB-CG1 3.77Å
24	W	97.9	Very high	92.1	Very high	24 Å²	24	53.1 Å²	53.1	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.6	174.7	-162.3	-31.8	0	0	0	109	T34 V35 W49 K281 N283 K288 V290 I300	W24-T34 WeakPolarHBondContact CA-O 3.5Å; W24-V35 HydrophobicContact CD2-CG2 3.8Å; W24-V35 HydrophobicContact CE3-CG2 4.24Å; W24-V35 HydrophobicContact CG-CG2 3.98Å; W24-V35 HydrophobicContact CZ2-CG2 4.47Å; W24-W49 HydrophobicContact CH2-CG 4.45Å; W24-W49 HydrophobicContact CZ2-CB 4.16Å; W24-W49 AromaticContact CZ2-CD1 3.87Å; W24-W49 HydrophobicContact CZ2-CD2 4.38Å; W24-W49 AromaticContact CZ2-CG 3.86Å; W24-W49 HydrophobicContact CZ2-CG 3.86Å; W24-K281 HydrophobicContact CB-CB 4.38Å; W24-N283 HydrophobicContact CD2-CB 3.55Å; W24-N283 VanDerWaalsContact CE2-CB 3.4Å; W24-N283 HydrophobicContact CE3-CB 3.88Å; W24-N283 HydrophobicContact CG-CB 4.03Å; W24-N283 HydrophobicContact CH2-CB 4.1Å; W24-N283 HydrophobicContact CZ2-CB 3.72Å; W24-N283 HydrophobicContact CZ3-CB 4.15Å; W24-K288 HydrophobicContact CH2-CB 3.66Å; W24-K288 HydrophobicContact CH2-CD 4.18Å; W24-K288 HydrophobicContact CZ2-CB 4.44Å; W24-K288 HydrophobicContact CZ3-CB 3.96Å; W24-V290 HydrophobicContact CB-CG1 4.33Å; W24-V290 HydrophobicContact CD2-CG1 4.39Å; W24-V290 HydrophobicContact CE3-CB 3.49Å; W24-V290 VanDerWaalsContact CE3-CB 3.49Å; W24-V290 HydrophobicContact CE3-CG1 3.52Å; W24-V290 HydrophobicContact CZ3-CB 3.65Å; W24-V290 HydrophobicContact CZ3-CG1 4.21Å; W24-I300 HydrophobicContact CH2-CD1 3.79Å; W24-I300 HydrophobicContact CH2-CG2 3.78Å; W24-I300 HydrophobicContact CZ3-CD1 3.65Å; W24-I300 HydrophobicContact CZ3-CG2 4.16Å
25	G	95.5	Very high	92.1	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	154	178.4	0	0	0	0	0	112.3	T34	G25-T34 PolarHBondContact N-O 2.76Å; G25-T34 PolarHBondContact O-N 2.82Å
26	T	90.3	Very high	92.1	Very high	57 Å²	57	53.1 Å²	53.1	35%	0.35	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.7	173.7	-52.2	0	0	0	0	109.4	K28 E33	T26-K28 PolarHBondContact O-N 3.41Å; T26-E33 HydrophobicContact CG2-CG 4.34Å
27	N	82.6	Confident	92.2	Very high	33 Å²	33	46.9 Å²	46.9	18%	0.176	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	101.2	169.5	-174.8	-25.1	0	0	0	108.9	K29 E30 N31 S32	N27-K29 PolarHBondContact O-N 2.89Å; N27-K29 WeakPolarHBondContact OD1-CB 3.32Å; N27-K29 PolarHBondContact OD1-N 3.13Å; N27-E30 PolarHBondContact O-N 2.91Å; N27-E30 PolarHBondContact OD1-N 2.8Å; N27-N31 WeakPolarHBondContact O-CA 3.3Å; N27-N31 PolarHBondContact O-N 2.91Å; N27-S32 PolarHBondContact N-O 3.15Å; N27-S32 PolarHBondContact O-N 3.13Å; N27-S32 VanDerWaalsContact O-N 3.17Å
28	K	75.5	Confident	92.2	Very high	194 Å²	194	43.4 Å²	43.4	84%	0.843	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.4	-179.3	-66.2	-175.9	-179.3	177.4	0	113.7	T26	T26-K28 PolarHBondContact O-N 3.41Å
29	K	74.2	Confident	92.2	Very high	202 Å²	202	43.1 Å²	43.1	88%	0.878	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-39.1	-179.4	-71.4	-177.2	-179.8	173.2	0	111.8	N27	N27-K29 PolarHBondContact O-N 2.89Å; N27-K29 WeakPolarHBondContact OD1-CB 3.32Å; N27-K29 PolarHBondContact OD1-N 3.13Å
30	E	73.7	Confident	92.2	Very high	109 Å²	109	45.5 Å²	45.5	51%	0.509	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-5.1	-178.2	-61.8	-171.4	157.5	0	0	113.3	N27 S32	N27-E30 PolarHBondContact O-N 2.91Å; N27-E30 PolarHBondContact OD1-N 2.8Å; E30-S32 PolarHBondContact O-N 3.26Å; E30-S32 PolarHBondContact OE2-OG 3.38Å; E30-S32 VanDerWaalsContact OE2-OG 3.07Å
31	N	80	Confident	92.2	Very high	142 Å²	142	44 Å²	44	76%	0.759	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	40.6	-166	-163.4	48.5	0	0	0	111.7	N27	N27-N31 WeakPolarHBondContact O-CA 3.3Å; N27-N31 PolarHBondContact O-N 2.91Å
32	S	86.7	Confident	92.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.8	-177.2	77.2	0	0	0	0	111.2	N27 E30 K48	N27-S32 PolarHBondContact N-O 3.15Å; N27-S32 PolarHBondContact O-N 3.13Å; N27-S32 VanDerWaalsContact O-N 3.17Å; E30-S32 PolarHBondContact O-N 3.26Å; E30-S32 PolarHBondContact OE2-OG 3.38Å; E30-S32 VanDerWaalsContact OE2-OG 3.07Å; S32-K48 PolarHBondContact OG-NZ 3.43Å; S32-K48 VanDerWaalsContact OG-NZ 3.16Å
33	E	95.1	Very high	92.2	Very high	35 Å²	35	46.9 Å²	46.9	16%	0.164	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.2	177.5	-71.5	-171.7	108.4	0	0	109.5	T26 W49 N283	T26-E33 HydrophobicContact CG2-CG 4.34Å; E33-W49 HydrophobicContact CB-CB 3.94Å; E33-W49 PolarHBondContact O-N 3.45Å; E33-W49 VanDerWaalsContact OE2-CD1 3.25Å; E33-N283 WeakPolarHBondContact OE1-CB 3.36Å; E33-N283 PolarHBondContact OE1-ND2 2.59Å
34	T	96.9	Very high	92.2	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.8	-177.4	-51.4	0	0	0	0	108.9	W24 G25 V36 V46 W47 K48	W24-T34 WeakPolarHBondContact CA-O 3.5Å; G25-T34 PolarHBondContact N-O 2.76Å; G25-T34 PolarHBondContact O-N 2.82Å; T34-V36 HydrophobicContact CG2-CG2 4.19Å; T34-V46 HydrophobicContact CG2-CG1 3.5Å; T34-W47 CarbonylContact C-O 3.56Å; T34-W47 WeakPolarHBondContact CA-O 3.46Å; T34-K48 PolarHBondContact OG1-NZ 3.19Å
35	V	98.5	Very high	92.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.5	167.9	175.9	0	0	0	0	107.9	V22 A23 W24 T37 W47 L54 V290	V22-V35 HydrophobicContact CG2-CG1 3.61Å; A23-V35 CarbonylContact O-C 3.53Å; A23-V35 WeakPolarHBondContact O-CA 3.47Å; W24-V35 HydrophobicContact CD2-CG2 3.8Å; W24-V35 HydrophobicContact CE3-CG2 4.24Å; W24-V35 HydrophobicContact CG-CG2 3.98Å; W24-V35 HydrophobicContact CZ2-CG2 4.47Å; V35-T37 HydrophobicContact CG1-CG2 4.21Å; V35-W47 HydrophobicContact CB-CB 4.26Å; V35-W47 PolarHBondContact N-O 3.21Å; V35-W47 PolarHBondContact O-N 3.05Å; V35-L54 HydrophobicContact CB-CD2 4.26Å; V35-L54 HydrophobicContact CG2-CD2 4.03Å; V35-V290 HydrophobicContact CG1-CG2 4.23Å
36	V	98.8	Very high	92.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.1	174.3	177	0	0	0	0	108	V22 A23 T34 V44 K45 V46 V70 I72 A79 L93	V22-V36 CarbonylContact C-O 3.59Å; V22-V36 VanDerWaalsContact CA-O 3.28Å; V22-V36 WeakPolarHBondContact CA-O 3.49Å; A23-V36 PolarHBondContact N-O 2.91Å; A23-V36 PolarHBondContact O-N 3.13Å; T34-V36 HydrophobicContact CG2-CG2 4.19Å; V36-V44 HydrophobicContact CG1-CG1 3.51Å; V36-K45 WeakPolarHBondContact CA-O 3.2Å; V36-V46 HydrophobicContact CG2-CG1 4.36Å; V36-V46 HydrophobicContact CG2-CG2 4.3Å; V36-V70 HydrophobicContact CG1-CB 4.06Å; V36-V70 HydrophobicContact CG1-CG1 4.27Å; V36-V70 HydrophobicContact CG1-CG2 4.16Å; V36-I72 HydrophobicContact CB-CD1 4.09Å; V36-I72 HydrophobicContact CB-CG1 4.23Å; V36-I72 HydrophobicContact CG2-CD1 3.65Å; V36-I72 HydrophobicContact CG2-CG1 3.82Å; V36-A79 HydrophobicContact CG1-CB 4.39Å; V36-A79 HydrophobicContact CG2-CB 4.29Å; V36-L93 HydrophobicContact CG2-CD2 4.07Å
37	T	98.9	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.1	178.3	52.6	0	0	0	0	111	H15 I19 S21 V22 V35 V44 K45 W47 V292 I298	H15-T37 PolarHBondContact NE2-OG1 3.36Å; I19-T37 HydrophobicContact CG2-CG2 4.16Å; S21-T37 WeakPolarHBondContact O-CA 3.26Å; V22-T37 HydrophobicContact CB-CG2 4.43Å; V22-T37 HydrophobicContact CG2-CG2 4Å; V35-T37 HydrophobicContact CG1-CG2 4.21Å; T37-V44 CarbonylContact O-C 3.54Å; T37-V44 VanDerWaalsContact O-CA 3.26Å; T37-V44 WeakPolarHBondContact O-CA 3.41Å; T37-K45 PolarHBondContact N-O 2.94Å; T37-K45 PolarHBondContact O-N 3.03Å; T37-K45 PolarHBondContact OG1-O 2.99Å; T37-W47 PolarHBondContact OG1-NE1 3.37Å; T37-V292 HydrophobicContact CG2-CG1 4.07Å; T37-I298 HydrophobicContact CG2-CD1 3.66Å; T37-I298 HydrophobicContact CG2-CG1 4.1Å
38	G	98.9	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.1	170.8	0	0	0	0	0	110.4	I19 W20 S21	I19-G38 WeakPolarHBondContact CG2-O 3.33Å; W20-G38 PolarHBondContact N-O 2.83Å; S21-G38 PolarHBondContact N-O 3.34Å; S21-G38 PolarHBondContact O-N 3.35Å
39	S	98.8	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	163.6	-175.4	168	0	0	0	0	112.3	H15 D17 A18 D41 D42 L43 V67	H15-S39 VanDerWaalsContact CG-CB 3.4Å; H15-S39 WeakPolarHBondContact ND1-CB 3.45Å; D17-S39 PolarHBondContact O-OG 3.01Å; A18-S39 VanDerWaalsContact O-CA 3.25Å; A18-S39 WeakPolarHBondContact O-CA 3.25Å; A18-S39 WeakPolarHBondContact O-CB 3.49Å; A18-S39 PolarHBondContact O-OG 2.9Å; S39-D41 VanDerWaalsContact CB-OD1 3.24Å; S39-D41 WeakPolarHBondContact CB-OD1 3.47Å; S39-D41 PolarHBondContact O-N 2.83Å; S39-D41 PolarHBondContact OG-N 3.15Å; S39-D41 VanDerWaalsContact OG-N 3.13Å; S39-D41 PolarHBondContact OG-OD1 3.09Å; S39-D42 PolarHBondContact O-N 3.05Å; S39-L43 PolarHBondContact N-O 2.94Å; S39-V67 PolarHBondContact O-N 3.13Å
40	L	98.5	Very high	95.2	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.257	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.7	169.4	-65.3	-172.3	0	0	0	113.9	D17 A18 W20 D42	D17-L40 HydrophobicContact CB-CB 3.96Å; A18-L40 HydrophobicContact CB-CD1 4.09Å; A18-L40 HydrophobicContact CB-CG 4.39Å; A18-L40 PolarHBondContact O-N 2.81Å; W20-L40 HydrophobicContact CD2-CD2 3.8Å; W20-L40 HydrophobicContact CD2-CG 4.19Å; W20-L40 HydrophobicContact CE3-CD2 4.03Å; W20-L40 HydrophobicContact CG-CD2 4.4Å; W20-L40 HydrophobicContact CG-CG 4.43Å; W20-L40 HydrophobicContact CH2-CD2 4Å; W20-L40 HydrophobicContact CZ2-CD1 3.73Å; W20-L40 HydrophobicContact CZ2-CD2 3.78Å; W20-L40 HydrophobicContact CZ2-CG 4.15Å; W20-L40 HydrophobicContact CZ3-CD2 4.12Å; L40-D42 PolarHBondContact O-N 3.27Å; L40-D42 VanDerWaalsContact O-N 3.12Å
41	D	98.5	Very high	96.1	Very high	29 Å²	29	32.3 Å²	32.3	16%	0.155	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	14	173.1	72.6	1.3	0	0	0	114.4	H15 D16 D17 S39 L43	H15-D41 WeakPolarHBondContact CA-OD2 3.38Å; H15-D41 VanDerWaalsContact CB-OD2 3.23Å; H15-D41 WeakPolarHBondContact CB-OD2 3.48Å; H15-D41 IonicContact CE1-OD1 3.37Å; H15-D41 IonicContact CG-OD2 2.76Å; H15-D41 VanDerWaalsContact ND1-CG 3.3Å; H15-D41 IonicContact ND1-OD1 2.99Å; H15-D41 PolarHBondContact ND1-OD1 3.2Å; H15-D41 IonicContact ND1-OD2 3.59Å; H15-D41 PolarHBondContact ND1-OD2 3.19Å; D16-D41 HydrophobicContact CB-CB 4.31Å; D16-D41 PolarHBondContact N-OD2 3.17Å; D17-D41 HydrophobicContact CB-CB 3.99Å; S39-D41 VanDerWaalsContact CB-OD1 3.24Å; S39-D41 WeakPolarHBondContact CB-OD1 3.47Å; S39-D41 PolarHBondContact O-N 2.83Å; S39-D41 PolarHBondContact OG-N 3.15Å; S39-D41 VanDerWaalsContact OG-N 3.13Å; S39-D41 PolarHBondContact OG-OD1 3.09Å; D41-L43 PolarHBondContact O-N 3.29Å; D41-L43 VanDerWaalsContact OD1-CB 3.24Å; D41-L43 WeakPolarHBondContact OD1-CB 3.26Å; D41-L43 PolarHBondContact OD1-N 3.23Å
42	D	98.7	Very high	96.7	Very high	54 Å²	54	31.7 Å²	31.7	29%	0.289	15%	0.152	S	C	.	.	S	Bend	trans	68.4	0.9	-176.5	-60.9	-36.5	0	0	0	115.7	S39 L40 Q64 L65 G66	S39-D42 PolarHBondContact O-N 3.05Å; L40-D42 PolarHBondContact O-N 3.27Å; L40-D42 VanDerWaalsContact O-N 3.12Å; D42-Q64 VanDerWaalsContact OD1-CA 3.31Å; D42-Q64 WeakPolarHBondContact OD1-CA 3.21Å; D42-L65 PolarHBondContact OD1-N 3.4Å; D42-G66 WeakPolarHBondContact OD1-CA 3.41Å; D42-G66 PolarHBondContact OD1-N 3.29Å
43	L	98.8	Very high	97.2	Very high	29 Å²	29	37.3 Å²	37.3	15%	0.152	17%	0.173	C	C	.	.			trans	-98.6	145.7	-174.6	-57.4	174	0	0	0	113	S39 D41 K45 E61	S39-L43 PolarHBondContact N-O 2.94Å; D41-L43 PolarHBondContact O-N 3.29Å; D41-L43 VanDerWaalsContact OD1-CB 3.24Å; D41-L43 WeakPolarHBondContact OD1-CB 3.26Å; D41-L43 PolarHBondContact OD1-N 3.23Å; L43-K45 HydrophobicContact CB-CG 4.48Å; L43-E61 HydrophobicContact CD2-CB 4.48Å; L43-E61 HydrophobicContact CD2-CG 3.66Å
44	V	98.9	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.2	157.7	-179.4	0	0	0	0	107.8	V36 T37 L60 V67 V70 W91	V36-V44 HydrophobicContact CG1-CG1 3.51Å; T37-V44 CarbonylContact O-C 3.54Å; T37-V44 VanDerWaalsContact O-CA 3.26Å; T37-V44 WeakPolarHBondContact O-CA 3.41Å; V44-L60 HydrophobicContact CB-CB 4.12Å; V44-L60 HydrophobicContact CB-CD1 4.29Å; V44-L60 HydrophobicContact CG1-CD1 4.05Å; V44-L60 PolarHBondContact N-O 3.33Å; V44-L60 WeakPolarHBondContact O-CA 3.48Å; V44-L60 VanDerWaalsContact O-CB 3.26Å; V44-L60 WeakPolarHBondContact O-CB 3.48Å; V44-L60 PolarHBondContact O-N 3.33Å; V44-V67 HydrophobicContact CG2-CG1 4.07Å; V44-V67 HydrophobicContact CG2-CG2 3.93Å; V44-V70 HydrophobicContact CG1-CG1 4.31Å; V44-V70 HydrophobicContact CG2-CG1 4.35Å; V44-W91 HydrophobicContact CG2-CZ2 4.41Å
45	K	98.8	Very high	97.3	Very high	24 Å²	24	38.5 Å²	38.5	10%	0.104	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.9	176.3	-70	-178.8	-171.1	177.5	0	110.8	A14 H15 V36 T37 L43 W47 L56 W58	A14-K45 VanDerWaalsContact O-CD 3.24Å; A14-K45 WeakPolarHBondContact O-CD 3.45Å; A14-K45 WeakPolarHBondContact O-CE 3.37Å; A14-K45 PolarHBondContact O-NZ 3.05Å; H15-K45 VanDerWaalsContact CE1-CG 3.5Å; H15-K45 WeakPolarHBondContact CE1-CG 3.44Å; V36-K45 WeakPolarHBondContact CA-O 3.2Å; T37-K45 PolarHBondContact N-O 2.94Å; T37-K45 PolarHBondContact O-N 3.03Å; T37-K45 PolarHBondContact OG1-O 2.99Å; L43-K45 HydrophobicContact CB-CG 4.48Å; K45-W47 HydrophobicContact CB-CZ2 3.87Å; K45-W47 HydrophobicContact CD-CH2 4.29Å; K45-W47 HydrophobicContact CD-CZ2 3.68Å; K45-W47 HydrophobicContact CG-CZ2 4.4Å; K45-L56 HydrophobicContact CB-CD1 3.88Å; K45-L56 HydrophobicContact CD-CD1 4.13Å; K45-L56 HydrophobicContact CG-CD1 4.12Å; K45-W58 WeakPolarHBondContact CA-O 3.49Å
46	V	98.5	Very high	97.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	178.9	-174.4	0	0	0	0	108.3	T34 V36 Q57 W58 L60 L93	T34-V46 HydrophobicContact CG2-CG1 3.5Å; V36-V46 HydrophobicContact CG2-CG1 4.36Å; V36-V46 HydrophobicContact CG2-CG2 4.3Å; V46-Q57 WeakPolarHBondContact O-CA 3.39Å; V46-Q57 WeakPolarHBondContact O-CB 3.33Å; V46-Q57 PolarHBondContact O-N 3.11Å; V46-W58 HydrophobicContact CB-CB 4.03Å; V46-W58 HydrophobicContact CB-CG 4.41Å; V46-W58 HydrophobicContact CG2-CB 4.15Å; V46-W58 PolarHBondContact N-O 2.82Å; V46-W58 PolarHBondContact O-N 3.38Å; V46-W58 VanDerWaalsContact O-N 3.13Å; V46-L60 HydrophobicContact CG2-CD1 3.61Å; V46-L60 HydrophobicContact CG2-CG 4.17Å; V46-L93 HydrophobicContact CG1-CD2 3.99Å; V46-L93 HydrophobicContact CG2-CD2 3.72Å
47	W	98.3	Very high	97.2	Very high	9 Å²	9	45.7 Å²	45.7	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140	-175.8	-46.9	83.1	0	0	0	109.6	Q11 A14 T34 V35 T37 K45 L54 D55 L56 I298	Q11-W47 HydrophobicContact CG-CH2 4.01Å; Q11-W47 HydrophobicContact CG-CZ3 3.92Å; A14-W47 HydrophobicContact CB-CH2 4.03Å; A14-W47 HydrophobicContact CB-CZ2 3.9Å; A14-W47 WeakPolarHBondContact O-CZ2 3.47Å; T34-W47 CarbonylContact C-O 3.56Å; T34-W47 WeakPolarHBondContact CA-O 3.46Å; V35-W47 HydrophobicContact CB-CB 4.26Å; V35-W47 PolarHBondContact N-O 3.21Å; V35-W47 PolarHBondContact O-N 3.05Å; T37-W47 PolarHBondContact OG1-NE1 3.37Å; K45-W47 HydrophobicContact CB-CZ2 3.87Å; K45-W47 HydrophobicContact CD-CH2 4.29Å; K45-W47 HydrophobicContact CD-CZ2 3.68Å; K45-W47 HydrophobicContact CG-CZ2 4.4Å; W47-L54 HydrophobicContact CB-CB 4.3Å; W47-L54 HydrophobicContact CB-CD2 3.9Å; W47-L54 HydrophobicContact CE3-CB 4.17Å; W47-D55 CarbonylContact C-O 3.59Å; W47-D55 WeakPolarHBondContact CA-O 3.49Å; W47-L56 HydrophobicContact CD2-CD1 3.97Å; W47-L56 HydrophobicContact CE3-CB 3.77Å; W47-L56 HydrophobicContact CE3-CD1 3.97Å; W47-L56 HydrophobicContact CE3-CG 4.47Å; W47-L56 HydrophobicContact CH2-CB 4.38Å; W47-L56 HydrophobicContact CH2-CD1 4.01Å; W47-L56 HydrophobicContact CZ2-CD1 4.01Å; W47-L56 HydrophobicContact CZ3-CB 3.67Å; W47-L56 HydrophobicContact CZ3-CD1 4Å; W47-L56 HydrophobicContact CZ3-CG 4.31Å; W47-I298 HydrophobicContact CD2-CD1 4.11Å; W47-I298 HydrophobicContact CG-CD1 4.42Å; W47-I298 HydrophobicContact CZ2-CD1 3.85Å
48	K	96.5	Very high	97.1	Very high	21 Å²	21	49.7 Å²	49.7	9%	0.091	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.5	170	-72	-68.1	-179.3	-179.5	0	109.3	S32 T34 L54 D55 Q57	S32-K48 PolarHBondContact OG-NZ 3.43Å; S32-K48 VanDerWaalsContact OG-NZ 3.16Å; T34-K48 PolarHBondContact OG1-NZ 3.19Å; K48-L54 WeakPolarHBondContact O-CA 3.32Å; K48-D55 PolarHBondContact N-O 3.14Å; K48-D55 PolarHBondContact O-N 2.72Å; K48-Q57 HydrophobicContact CG-CB 4.24Å; K48-Q57 HydrophobicContact CG-CG 4.46Å
49	W	95.8	Very high	97.1	Very high	14 Å²	14	52.2 Å²	52.2	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	110.5	170.7	178.2	-102.8	0	0	0	109.2	F9 W24 E33 E52 R53 L54 K288 I300	F9-W49 HydrophobicContact CB-CH2 3.75Å; F9-W49 HydrophobicContact CB-CZ3 3.73Å; F9-W49 HydrophobicContact CD1-CZ3 4.04Å; F9-W49 HydrophobicContact CG-CH2 4.42Å; F9-W49 AromaticContact CG-CZ3 3.96Å; F9-W49 HydrophobicContact CG-CZ3 3.96Å; W24-W49 HydrophobicContact CH2-CG 4.45Å; W24-W49 HydrophobicContact CZ2-CB 4.16Å; W24-W49 AromaticContact CZ2-CD1 3.87Å; W24-W49 HydrophobicContact CZ2-CD2 4.38Å; W24-W49 AromaticContact CZ2-CG 3.86Å; W24-W49 HydrophobicContact CZ2-CG 3.86Å; E33-W49 HydrophobicContact CB-CB 3.94Å; E33-W49 PolarHBondContact O-N 3.45Å; E33-W49 VanDerWaalsContact OE2-CD1 3.25Å; W49-E52 HydrophobicContact CH2-CB 4.36Å; W49-E52 VanDerWaalsContact CH2-O 3.3Å; W49-E52 WeakPolarHBondContact CH2-O 3.24Å; W49-E52 HydrophobicContact CZ2-CB 4.31Å; W49-E52 VanDerWaalsContact CZ3-C 3.5Å; W49-R53 WeakPolarHBondContact CA-O 3.42Å; W49-R53 VanDerWaalsContact CE3-O 3.27Å; W49-L54 HydrophobicContact CB-CD2 4.11Å; W49-L54 HydrophobicContact CE3-CD2 3.76Å; W49-L54 HydrophobicContact CE3-CG 3.88Å; W49-L54 HydrophobicContact CZ3-CG 4.3Å; W49-K288 HydrophobicContact CZ2-CD 4.05Å; W49-I300 HydrophobicContact CE3-CG1 4.05Å; W49-I300 HydrophobicContact CE3-CG2 4.47Å; W49-I300 HydrophobicContact CH2-CB 3.95Å; W49-I300 HydrophobicContact CH2-CG1 4.18Å; W49-I300 HydrophobicContact CH2-CG2 3.64Å; W49-I300 HydrophobicContact CZ2-CG2 3.83Å; W49-I300 HydrophobicContact CZ3-CB 3.98Å; W49-I300 HydrophobicContact CZ3-CG1 3.68Å; W49-I300 HydrophobicContact CZ3-CG2 3.99Å
50	R	92.4	Very high	97.1	Very high	115 Å²	115	52.5 Å²	52.5	43%	0.434	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.7	179.4	-62.4	-175.1	-176.8	-174	-0.2	108.6	E52 R53	R50-E52 PolarHBondContact O-N 3.48Å; R50-E52 VanDerWaalsContact O-N 3.13Å; R50-R53 PolarHBondContact N-O 2.96Å; R50-R53 VanDerWaalsContact N-O 3.09Å; R50-R53 WeakPolarHBondContact O-CG 3.46Å; R50-R53 PolarHBondContact O-N 2.95Å; R50-R53 VanDerWaalsContact O-O 3.06Å
51	D	91.6	Very high	97.1	Very high	147 Å²	147	57.1 Å²	57.1	79%	0.786	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	42.1	176.5	-53.8	-37.2	0	0	0	113.5	R53	D51-R53 VanDerWaalsContact C-N 3.26Å; D51-R53 PolarHBondContact O-N 2.85Å
52	E	92.9	Very high	97	Very high	129 Å²	129	57.6 Å²	57.6	60%	0.603	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.5	179.4	-57.3	-175.2	162.7	0	0	115.4	W49 R50	W49-E52 HydrophobicContact CH2-CB 4.36Å; W49-E52 VanDerWaalsContact CH2-O 3.3Å; W49-E52 WeakPolarHBondContact CH2-O 3.24Å; W49-E52 HydrophobicContact CZ2-CB 4.31Å; W49-E52 VanDerWaalsContact CZ3-C 3.5Å; R50-E52 PolarHBondContact O-N 3.48Å; R50-E52 VanDerWaalsContact O-N 3.13Å
53	R	96.2	Very high	97	Very high	121 Å²	121	55.5 Å²	55.5	46%	0.457	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.1	174.9	62.6	176.4	-162	-173.6	9	112.5	F9 W49 R50 D51 D55	F9-R53 HydrophobicContact CD2-CB 4.01Å; F9-R53 HydrophobicContact CE2-CB 3.67Å; F9-R53 HydrophobicContact CZ-CB 4.09Å; W49-R53 WeakPolarHBondContact CA-O 3.42Å; W49-R53 VanDerWaalsContact CE3-O 3.27Å; R50-R53 PolarHBondContact N-O 2.96Å; R50-R53 VanDerWaalsContact N-O 3.09Å; R50-R53 WeakPolarHBondContact O-CG 3.46Å; R50-R53 PolarHBondContact O-N 2.95Å; R50-R53 VanDerWaalsContact O-O 3.06Å; D51-R53 VanDerWaalsContact C-N 3.26Å; D51-R53 PolarHBondContact O-N 2.85Å; R53-D55 IonicContact CZ-OD1 3.32Å; R53-D55 IonicContact CZ-OD2 2.8Å; R53-D55 IonicContact NE-OD1 3.69Å; R53-D55 PolarHBondContact NE-OD1 2.86Å; R53-D55 VanDerWaalsContact NE-OD1 3.15Å; R53-D55 IonicContact NE-OD2 3.72Å; R53-D55 PolarHBondContact NE-OD2 3.23Å; R53-D55 VanDerWaalsContact NE-OD2 3.13Å; R53-D55 IonicContact NH2-OD1 3.95Å; R53-D55 PolarHBondContact NH2-OD1 2.83Å; R53-D55 IonicContact NH2-OD2 3.08Å; R53-D55 PolarHBondContact NH2-OD2 2.96Å
54	L	97.7	Very high	96.9	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.8	168.5	-66.1	170.7	0	0	0	109.9	F9 Q11 V35 W47 K48 W49 I298 I300	F9-L54 HydrophobicContact CD1-CB 4.39Å; F9-L54 HydrophobicContact CD1-CD1 4.25Å; F9-L54 HydrophobicContact CD1-CG 4.12Å; F9-L54 HydrophobicContact CE1-CB 3.76Å; F9-L54 HydrophobicContact CE1-CD1 4.13Å; F9-L54 HydrophobicContact CE1-CG 3.97Å; F9-L54 HydrophobicContact CZ-CB 4.49Å; Q11-L54 HydrophobicContact CB-CD1 4.35Å; V35-L54 HydrophobicContact CB-CD2 4.26Å; V35-L54 HydrophobicContact CG2-CD2 4.03Å; W47-L54 HydrophobicContact CB-CB 4.3Å; W47-L54 HydrophobicContact CB-CD2 3.9Å; W47-L54 HydrophobicContact CE3-CB 4.17Å; K48-L54 WeakPolarHBondContact O-CA 3.32Å; W49-L54 HydrophobicContact CB-CD2 4.11Å; W49-L54 HydrophobicContact CE3-CD2 3.76Å; W49-L54 HydrophobicContact CE3-CG 3.88Å; W49-L54 HydrophobicContact CZ3-CG 4.3Å; L54-I298 HydrophobicContact CD1-CB 4.03Å; L54-I298 HydrophobicContact CD1-CD1 4.14Å; L54-I298 HydrophobicContact CD1-CG2 3.62Å; L54-I300 HydrophobicContact CD1-CD1 4.32Å; L54-I300 HydrophobicContact CD1-CG1 4.21Å; L54-I300 HydrophobicContact CG-CG1 4.41Å
55	D	96.8	Very high	96.8	Very high	61 Å²	61	66 Å²	66	33%	0.326	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.2	169.8	-72.7	-43.6	0	0	0	108.6	W47 K48 R53 Q57	W47-D55 CarbonylContact C-O 3.59Å; W47-D55 WeakPolarHBondContact CA-O 3.49Å; K48-D55 PolarHBondContact N-O 3.14Å; K48-D55 PolarHBondContact O-N 2.72Å; R53-D55 IonicContact CZ-OD1 3.32Å; R53-D55 IonicContact CZ-OD2 2.8Å; R53-D55 IonicContact NE-OD1 3.69Å; R53-D55 PolarHBondContact NE-OD1 2.86Å; R53-D55 VanDerWaalsContact NE-OD1 3.15Å; R53-D55 IonicContact NE-OD2 3.72Å; R53-D55 PolarHBondContact NE-OD2 3.23Å; R53-D55 VanDerWaalsContact NE-OD2 3.13Å; R53-D55 IonicContact NH2-OD1 3.95Å; R53-D55 PolarHBondContact NH2-OD1 2.83Å; R53-D55 IonicContact NH2-OD2 3.08Å; R53-D55 PolarHBondContact NH2-OD2 2.96Å; D55-Q57 PolarHBondContact O-N 2.64Å; D55-Q57 VanDerWaalsContact O-N 3.16Å
56	L	97.9	Very high	96.8	Very high	88 Å²	88	65 Å²	65	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	117	175.8	-179.2	63.6	0	0	0	109.4	K45 W47 W58	K45-L56 HydrophobicContact CB-CD1 3.88Å; K45-L56 HydrophobicContact CD-CD1 4.13Å; K45-L56 HydrophobicContact CG-CD1 4.12Å; W47-L56 HydrophobicContact CD2-CD1 3.97Å; W47-L56 HydrophobicContact CE3-CB 3.77Å; W47-L56 HydrophobicContact CE3-CD1 3.97Å; W47-L56 HydrophobicContact CE3-CG 4.47Å; W47-L56 HydrophobicContact CH2-CB 4.38Å; W47-L56 HydrophobicContact CH2-CD1 4.01Å; W47-L56 HydrophobicContact CZ2-CD1 4.01Å; W47-L56 HydrophobicContact CZ3-CB 3.67Å; W47-L56 HydrophobicContact CZ3-CD1 4Å; W47-L56 HydrophobicContact CZ3-CG 4.31Å; L56-W58 WeakPolarHBondContact CD1-O 3.34Å
57	Q	97	Very high	96.8	Very high	63 Å²	63	65 Å²	65	29%	0.294	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-49.7	178.7	-165.7	-173.5	6.6	0	0	111	V46 K48 D55	V46-Q57 WeakPolarHBondContact O-CA 3.39Å; V46-Q57 WeakPolarHBondContact O-CB 3.33Å; V46-Q57 PolarHBondContact O-N 3.11Å; K48-Q57 HydrophobicContact CG-CB 4.24Å; K48-Q57 HydrophobicContact CG-CG 4.46Å; D55-Q57 PolarHBondContact O-N 2.64Å; D55-Q57 VanDerWaalsContact O-N 3.16Å
58	W	98.3	Very high	96.8	Very high	85 Å²	85	65.2 Å²	65.2	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.1	-176.3	-50.9	120.6	0	0	0	111.7	K45 V46 L56 L60 L93 E94	K45-W58 WeakPolarHBondContact CA-O 3.49Å; V46-W58 HydrophobicContact CB-CB 4.03Å; V46-W58 HydrophobicContact CB-CG 4.41Å; V46-W58 HydrophobicContact CG2-CB 4.15Å; V46-W58 PolarHBondContact N-O 2.82Å; V46-W58 PolarHBondContact O-N 3.38Å; V46-W58 VanDerWaalsContact O-N 3.13Å; L56-W58 WeakPolarHBondContact CD1-O 3.34Å; W58-L60 HydrophobicContact CB-CD2 3.76Å; W58-L60 HydrophobicContact CB-CG 4.17Å; W58-L60 HydrophobicContact CG-CD2 4.44Å; W58-L93 PolarHBondContact NE1-O 2.87Å; W58-E94 WeakPolarHBondContact CZ2-O 3.23Å
59	S	98.5	Very high	96.9	Very high	53 Å²	53	64.7 Å²	64.7	37%	0.371	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.3	161.7	-167.6	0	0	0	0	107.2
60	L	98.6	Very high	97	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	113	-172.3	-52.4	173.6	0	0	0	108.9	V44 V46 W58 W91 G96	V44-L60 HydrophobicContact CB-CB 4.12Å; V44-L60 HydrophobicContact CB-CD1 4.29Å; V44-L60 HydrophobicContact CG1-CD1 4.05Å; V44-L60 PolarHBondContact N-O 3.33Å; V44-L60 WeakPolarHBondContact O-CA 3.48Å; V44-L60 VanDerWaalsContact O-CB 3.26Å; V44-L60 WeakPolarHBondContact O-CB 3.48Å; V44-L60 PolarHBondContact O-N 3.33Å; V46-L60 HydrophobicContact CG2-CD1 3.61Å; V46-L60 HydrophobicContact CG2-CG 4.17Å; W58-L60 HydrophobicContact CB-CD2 3.76Å; W58-L60 HydrophobicContact CB-CG 4.17Å; W58-L60 HydrophobicContact CG-CD2 4.44Å; L60-W91 HydrophobicContact CB-CD2 4.12Å; L60-W91 HydrophobicContact CB-CE3 3.79Å; L60-W91 HydrophobicContact CB-CH2 4.08Å; L60-W91 HydrophobicContact CB-CZ2 4.39Å; L60-W91 HydrophobicContact CB-CZ3 3.77Å; L60-W91 HydrophobicContact CD1-CB 3.72Å; L60-W91 HydrophobicContact CD1-CD2 3.72Å; L60-W91 HydrophobicContact CD1-CE3 3.93Å; L60-W91 HydrophobicContact CD1-CG 3.64Å; L60-W91 HydrophobicContact CD2-CE3 4.24Å; L60-W91 HydrophobicContact CG-CD2 4.44Å; L60-W91 HydrophobicContact CG-CE3 4.21Å; L60-G96 WeakPolarHBondContact CD2-O 3.5Å
61	E	98.2	Very high	97.3	Very high	146 Å²	146	60.4 Å²	60.4	68%	0.682	31%	0.306	S	S	*	.			trans	-98.9	152.8	-176	-65.7	174.7	-162.9	0	0	111.6	L43 W91	L43-E61 HydrophobicContact CD2-CB 4.48Å; L43-E61 HydrophobicContact CD2-CG 3.66Å; E61-W91 WeakPolarHBondContact O-CH2 3.35Å
62	G	97.1	Very high	97.6	Very high	39 Å²	39	54.1 Å²	54.1	40%	0.402	27%	0.273	S	S	.	.			trans	141.8	-20.2	165.9	0	0	0	0	0	114.8	R89	G62-R89 PolarHBondContact O-NH2 2.82Å
63	H	98.1	Very high	97.8	Very high	9 Å²	9	48.4 Å²	48.4	4%	0.042	25%	0.247	C	C	.	.			trans	-68.4	166.1	170.3	-83.5	-66.5	0	0	0	111.8	V67 S81 S83 D85 H87 R89 W91	H63-V67 HydrophobicContact CB-CG2 4.06Å; H63-S81 PolarHBondContact CD2-OG 2.89Å; H63-S81 PolarHBondContact NE2-OG 3.43Å; H63-S83 VanDerWaalsContact CE1-CB 3.44Å; H63-S83 WeakPolarHBondContact CE1-CB 3.18Å; H63-S83 WeakPolarHBondContact ND1-CB 3.2Å; H63-D85 WeakPolarHBondContact CA-OD2 3.18Å; H63-D85 IonicContact CE1-OD1 3.15Å; H63-D85 IonicContact CG-OD2 3.52Å; H63-D85 IonicContact ND1-OD1 3.27Å; H63-D85 PolarHBondContact ND1-OD1 3.42Å; H63-D85 IonicContact ND1-OD2 2.87Å; H63-D85 PolarHBondContact ND1-OD2 2.87Å; H63-D85 VanDerWaalsContact ND1-OD2 3.09Å; H63-H87 PolarHBondContact CE1-O 3.22Å; H63-R89 PolarHBondContact CE1-NH1 3.2Å; H63-R89 PolarHBondContact ND1-NH1 2.56Å; H63-W91 AromaticContact CD2-CZ2 3.98Å
64	Q	97.3	Very high	97.7	Very high	130 Å²	130	48.8 Å²	48.8	61%	0.607	25%	0.253	S	S	*	.			trans	-141.6	155.2	171.9	-62.4	-179.5	-4.8	0	0	109.1	D42 G66 S83 D85	D42-Q64 VanDerWaalsContact OD1-CA 3.31Å; D42-Q64 WeakPolarHBondContact OD1-CA 3.21Å; Q64-G66 VanDerWaalsContact C-N 3.29Å; Q64-G66 PolarHBondContact O-N 3.3Å; Q64-S83 PolarHBondContact O-OG 3.04Å; Q64-D85 HydrophobicContact CB-CB 4.09Å; Q64-D85 PolarHBondContact N-OD2 3.16Å; Q64-D85 VanDerWaalsContact O-CB 3.29Å; Q64-D85 WeakPolarHBondContact O-CB 3.27Å; Q64-D85 PolarHBondContact O-N 2.79Å
65	L	97	Very high	97.5	Very high	121 Å²	121	52.7 Å²	52.7	63%	0.634	28%	0.278	S	S	*	.	S	Bend	trans	65.1	27.2	177.4	-48.5	172.9	0	0	0	114.4	D42 L84	D42-L65 PolarHBondContact OD1-N 3.4Å; L65-L84 HydrophobicContact CB-CB 3.83Å; L65-L84 WeakPolarHBondContact O-CB 3.42Å; L65-L84 WeakPolarHBondContact O-CD1 3.33Å; L65-L84 WeakPolarHBondContact O-CG 3.29Å
66	G	97.6	Very high	97.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.01	28%	0.283	C	S	.	.			trans	84.2	144.6	173.8	0	0	0	0	0	114	D42 Q64 S83 L84	D42-G66 WeakPolarHBondContact OD1-CA 3.41Å; D42-G66 PolarHBondContact OD1-N 3.29Å; Q64-G66 VanDerWaalsContact C-N 3.29Å; Q64-G66 PolarHBondContact O-N 3.3Å; G66-S83 VanDerWaalsContact O-CA 3.29Å; G66-S83 WeakPolarHBondContact O-CA 3.23Å; G66-S83 WeakPolarHBondContact O-CB 3.38Å; G66-S83 PolarHBondContact O-OG 3.29Å; G66-L84 PolarHBondContact O-N 3.5Å
67	V	98.6	Very high	97.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	125	171.2	-179.3	0	0	0	0	108.9	S39 V44 H63 V70 S82	S39-V67 PolarHBondContact O-N 3.13Å; V44-V67 HydrophobicContact CG2-CG1 4.07Å; V44-V67 HydrophobicContact CG2-CG2 3.93Å; H63-V67 HydrophobicContact CB-CG2 4.06Å; V67-V70 HydrophobicContact CG1-CG1 3.86Å; V67-S82 WeakPolarHBondContact CG1-O 3.46Å
68	V	98.2	Very high	97.1	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.085	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-39	-173.7	-174.6	0	0	0	0	111.9	W20 S82 L84 W110	W20-V68 HydrophobicContact CE3-CG1 4.15Å; W20-V68 HydrophobicContact CE3-CG2 4.44Å; W20-V68 HydrophobicContact CZ3-CG1 4.34Å; W20-V68 HydrophobicContact CZ3-CG2 4.38Å; V68-S82 PolarHBondContact N-O 2.63Å; V68-L84 HydrophobicContact CG2-CD2 3.71Å; V68-L84 HydrophobicContact CG2-CG 3.78Å; V68-W110 HydrophobicContact CG1-CD2 3.91Å; V68-W110 HydrophobicContact CG1-CE3 4.1Å; V68-W110 HydrophobicContact CG1-CG 4.4Å; V68-W110 HydrophobicContact CG1-CH2 4.37Å; V68-W110 HydrophobicContact CG1-CZ2 4.16Å; V68-W110 HydrophobicContact CG1-CZ3 4.35Å; V68-W110 WeakPolarHBondContact CG1-O 3.16Å
69	S	98.7	Very high	97.1	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.07	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142	-177.9	-166.8	0	0	0	0	110.4	S81 S82 L112	S69-S81 CarbonylContact O-C 3.51Å; S69-S81 VanDerWaalsContact O-CA 3.23Å; S69-S81 WeakPolarHBondContact O-CA 3.23Å; S69-S82 WeakPolarHBondContact CB-OG 3.23Å; S69-S82 PolarHBondContact N-O 2.72Å; S69-S82 PolarHBondContact O-N 2.75Å; S69-L112 PolarHBondContact OG-N 3.03Å
70	V	98.9	Very high	97.1	Very high	7 Å²	7	43 Å²	43	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.7	166.5	-59.3	0	0	0	0	110	S21 A23 V36 V44 V67 A80	S21-V70 PolarHBondContact OG-N 2.68Å; A23-V70 HydrophobicContact CB-CG2 4.26Å; V36-V70 HydrophobicContact CG1-CB 4.06Å; V36-V70 HydrophobicContact CG1-CG1 4.27Å; V36-V70 HydrophobicContact CG1-CG2 4.16Å; V44-V70 HydrophobicContact CG1-CG1 4.31Å; V44-V70 HydrophobicContact CG2-CG1 4.35Å; V67-V70 HydrophobicContact CG1-CG1 3.86Å; V70-A80 CarbonylContact C-O 3.54Å; V70-A80 VanDerWaalsContact CA-O 3.26Å; V70-A80 WeakPolarHBondContact CA-O 3.3Å
71	D	98.6	Very high	97.1	Very high	33 Å²	33	42.7 Å²	42.7	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	158.1	169.7	-165.2	19.5	0	0	0	110.8	A79 A80 A113 F114	D71-A79 CarbonylContact O-C 3.57Å; D71-A79 VanDerWaalsContact O-CA 3.24Å; D71-A79 WeakPolarHBondContact O-CA 3.18Å; D71-A79 WeakPolarHBondContact O-CB 3.32Å; D71-A80 PolarHBondContact N-O 3.01Å; D71-A80 PolarHBondContact O-N 3.33Å; D71-A113 WeakPolarHBondContact OD2-CA 3.36Å; D71-F114 HydrophobicContact CB-CD2 4.05Å; D71-F114 HydrophobicContact CB-CE2 4.48Å; D71-F114 PolarHBondContact OD2-N 3.01Å
72	I	97.9	Very high	97.1	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.077	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.4	-178.7	-62.6	166.9	0	0	0	109.2	A23 V36 A79 L93	A23-I72 HydrophobicContact CB-CD1 3.78Å; A23-I72 HydrophobicContact CB-CG1 3.77Å; V36-I72 HydrophobicContact CB-CD1 4.09Å; V36-I72 HydrophobicContact CB-CG1 4.23Å; V36-I72 HydrophobicContact CG2-CD1 3.65Å; V36-I72 HydrophobicContact CG2-CG1 3.82Å; I72-A79 HydrophobicContact CG1-CB 4.3Å; I72-L93 HydrophobicContact CG2-CD1 4.14Å
73	S	97.1	Very high	97.2	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.063	18%	0.181	C	C	.	.			trans	-62.3	138.9	174.4	169	0	0	0	0	111.7	T75 L76 I78 S118	S73-T75 VanDerWaalsContact C-N 3.31Å; S73-T75 PolarHBondContact O-N 2.7Å; S73-T75 PolarHBondContact OG-N 3.07Å; S73-L76 WeakPolarHBondContact CB-O 3.23Å; S73-L76 WeakPolarHBondContact OG-CB 3.27Å; S73-L76 PolarHBondContact OG-N 2.9Å; S73-I78 PolarHBondContact N-O 2.98Å; S73-S118 WeakPolarHBondContact OG-CB 3.35Å; S73-S118 PolarHBondContact OG-OG 2.86Å
74	H	94	Very high	97.1	Very high	128 Å²	128	37.1 Å²	37.1	59%	0.593	20%	0.197	S	C	*	.	S	Bend	trans	-74.7	-19.3	176.8	-59	-62	0	0	0	113.8	S118	H74-S118 PolarHBondContact N-OG 3.18Å
75	T	92.6	Very high	97.1	Very high	89 Å²	89	32 Å²	32	55%	0.546	17%	0.174	S	C	.	.	S	Bend	trans	-125.2	-22.4	-171.5	62.9	0	0	0	0	114	S73 D117 S118	S73-T75 VanDerWaalsContact C-N 3.31Å; S73-T75 PolarHBondContact O-N 2.7Å; S73-T75 PolarHBondContact OG-N 3.07Å; T75-D117 PolarHBondContact OG1-O 3.3Å; T75-S118 PolarHBondContact N-OG 3.03Å; T75-S118 WeakPolarHBondContact OG1-CB 3.45Å; T75-S118 PolarHBondContact OG1-OG 3Å
76	L	92.9	Very high	97.2	Very high	82 Å²	82	27 Å²	27	43%	0.429	15%	0.15	S	C	.	.	S	Bend	trans	-116.5	151.5	-176.4	-56.3	176	0	0	0	110.4	S73 I78	S73-L76 WeakPolarHBondContact CB-O 3.23Å; S73-L76 WeakPolarHBondContact OG-CB 3.27Å; S73-L76 PolarHBondContact OG-N 2.9Å; L76-I78 HydrophobicContact CB-CD1 4.22Å; L76-I78 HydrophobicContact CB-CG1 3.98Å; L76-I78 HydrophobicContact CB-CG2 4.33Å; L76-I78 HydrophobicContact CD1-CD1 3.99Å; L76-I78 PolarHBondContact O-N 3.21Å
77	P	94.1	Very high	97.2	Very high	49 Å²	49	29.6 Å²	29.6	32%	0.318	16%	0.162	S	C	.	.	S	Bend	trans	-78.7	51.7	176.9	35.3	-36.8	0	0	0	111.6	L93 E94	P77-L93 WeakPolarHBondContact O-CB 3.24Å; P77-L93 PolarHBondContact O-N 2.94Å; P77-E94 HydrophobicContact CB-CG 3.94Å; P77-E94 HydrophobicContact CG-CG 4.37Å
78	I	96.7	Very high	97.2	Very high	15 Å²	15	29.6 Å²	29.6	8%	0.077	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.8	-177.1	72.8	178.8	0	0	0	111.6	S73 L76 W91 I99 F114 V135	S73-I78 PolarHBondContact N-O 2.98Å; L76-I78 HydrophobicContact CB-CD1 4.22Å; L76-I78 HydrophobicContact CB-CG1 3.98Å; L76-I78 HydrophobicContact CB-CG2 4.33Å; L76-I78 HydrophobicContact CD1-CD1 3.99Å; L76-I78 PolarHBondContact O-N 3.21Å; I78-W91 CarbonylContact C-O 3.54Å; I78-W91 WeakPolarHBondContact CA-O 3.49Å; I78-W91 VanDerWaalsContact CB-O 3.24Å; I78-W91 WeakPolarHBondContact CB-O 3.46Å; I78-I99 HydrophobicContact CB-CD1 4.22Å; I78-I99 HydrophobicContact CG2-CD1 3.44Å; I78-I99 VanDerWaalsContact CG2-CD1 3.44Å; I78-F114 HydrophobicContact CD1-CE1 4.13Å; I78-F114 HydrophobicContact CD1-CZ 4.12Å; I78-F114 HydrophobicContact CG1-CE1 4.48Å; I78-F114 HydrophobicContact CG1-CZ 4.11Å; I78-V135 HydrophobicContact CD1-CG1 3.71Å
79	A	98.4	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	157.9	166.5	0	0	0	0	0	110.6	V36 D71 I72 L90 W91 L93	V36-A79 HydrophobicContact CG1-CB 4.39Å; V36-A79 HydrophobicContact CG2-CB 4.29Å; D71-A79 CarbonylContact O-C 3.57Å; D71-A79 VanDerWaalsContact O-CA 3.24Å; D71-A79 WeakPolarHBondContact O-CA 3.18Å; D71-A79 WeakPolarHBondContact O-CB 3.32Å; I72-A79 HydrophobicContact CG1-CB 4.3Å; A79-L90 CarbonylContact O-C 3.55Å; A79-L90 WeakPolarHBondContact O-CA 3.4Å; A79-W91 PolarHBondContact N-O 2.77Å; A79-W91 PolarHBondContact O-N 2.71Å; A79-L93 HydrophobicContact CB-CD1 4.21Å; A79-L93 HydrophobicContact CB-CD2 3.77Å; A79-L93 HydrophobicContact CB-CG 4.21Å
80	A	98.8	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.3	168.9	0	0	0	0	0	109.5	V70 D71 R89 L90 L112 F114 L121	V70-A80 CarbonylContact C-O 3.54Å; V70-A80 VanDerWaalsContact CA-O 3.26Å; V70-A80 WeakPolarHBondContact CA-O 3.3Å; D71-A80 PolarHBondContact N-O 3.01Å; D71-A80 PolarHBondContact O-N 3.33Å; A80-R89 CarbonylContact C-O 3.6Å; A80-R89 VanDerWaalsContact CA-O 3.27Å; A80-R89 WeakPolarHBondContact CA-O 3.45Å; A80-L90 HydrophobicContact CB-CD2 3.67Å; A80-L112 HydrophobicContact CB-CD1 4.05Å; A80-F114 HydrophobicContact CB-CE2 3.58Å; A80-F114 HydrophobicContact CB-CZ 3.65Å; A80-L121 HydrophobicContact CB-CD1 3.87Å; A80-L121 HydrophobicContact CB-CD2 3.86Å
81	S	98.9	Very high	97.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.9	169	61.4	0	0	0	0	111.2	H63 S69 I88 R89 W91	H63-S81 PolarHBondContact CD2-OG 2.89Å; H63-S81 PolarHBondContact NE2-OG 3.43Å; S69-S81 CarbonylContact O-C 3.51Å; S69-S81 VanDerWaalsContact O-CA 3.23Å; S69-S81 WeakPolarHBondContact O-CA 3.23Å; S81-I88 CarbonylContact O-C 3.57Å; S81-I88 VanDerWaalsContact O-CA 3.25Å; S81-I88 WeakPolarHBondContact O-CA 3.37Å; S81-R89 PolarHBondContact N-O 3.01Å; S81-R89 PolarHBondContact O-N 2.95Å; S81-W91 PolarHBondContact OG-NE1 2.7Å
82	S	98.6	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	156.2	174.1	67.7	0	0	0	0	110.7	V67 V68 S69 A109	V67-S82 WeakPolarHBondContact CG1-O 3.46Å; V68-S82 PolarHBondContact N-O 2.63Å; S69-S82 WeakPolarHBondContact CB-OG 3.23Å; S69-S82 PolarHBondContact N-O 2.72Å; S69-S82 PolarHBondContact O-N 2.75Å; S82-A109 WeakPolarHBondContact CB-O 3.31Å; S82-A109 PolarHBondContact OG-O 3.32Å
83	S	98.3	Very high	97	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.4	-169.5	169.5	0	0	0	0	111.1	H63 Q64 G66 D85 A86 H87	H63-S83 VanDerWaalsContact CE1-CB 3.44Å; H63-S83 WeakPolarHBondContact CE1-CB 3.18Å; H63-S83 WeakPolarHBondContact ND1-CB 3.2Å; Q64-S83 PolarHBondContact O-OG 3.04Å; G66-S83 VanDerWaalsContact O-CA 3.29Å; G66-S83 WeakPolarHBondContact O-CA 3.23Å; G66-S83 WeakPolarHBondContact O-CB 3.38Å; G66-S83 PolarHBondContact O-OG 3.29Å; S83-D85 VanDerWaalsContact CB-OD1 3.3Å; S83-D85 WeakPolarHBondContact CB-OD1 3.04Å; S83-D85 PolarHBondContact O-N 3.13Å; S83-D85 PolarHBondContact OG-N 2.79Å; S83-D85 PolarHBondContact OG-OD1 2.94Å; S83-A86 PolarHBondContact O-N 3Å; S83-H87 PolarHBondContact N-O 2.89Å
84	L	96.8	Very high	96.8	Very high	70 Å²	70	33.5 Å²	33.5	37%	0.366	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.6	173.9	-54	-178.8	0	0	0	112.8	L65 G66 V68 A86 W110	L65-L84 HydrophobicContact CB-CB 3.83Å; L65-L84 WeakPolarHBondContact O-CB 3.42Å; L65-L84 WeakPolarHBondContact O-CD1 3.33Å; L65-L84 WeakPolarHBondContact O-CG 3.29Å; G66-L84 PolarHBondContact O-N 3.5Å; V68-L84 HydrophobicContact CG2-CD2 3.71Å; V68-L84 HydrophobicContact CG2-CG 3.78Å; L84-A86 PolarHBondContact O-N 2.79Å; L84-A86 VanDerWaalsContact O-N 3.14Å; L84-W110 HydrophobicContact CD2-CE3 4.17Å; L84-W110 HydrophobicContact CD2-CZ3 3.85Å
85	D	97.5	Very high	96.9	Very high	23 Å²	23	31.7 Å²	31.7	12%	0.123	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	7.6	167.1	72	3.2	0	0	0	115.1	H63 Q64 S83 H87 R89	H63-D85 WeakPolarHBondContact CA-OD2 3.18Å; H63-D85 IonicContact CE1-OD1 3.15Å; H63-D85 IonicContact CG-OD2 3.52Å; H63-D85 IonicContact ND1-OD1 3.27Å; H63-D85 PolarHBondContact ND1-OD1 3.42Å; H63-D85 IonicContact ND1-OD2 2.87Å; H63-D85 PolarHBondContact ND1-OD2 2.87Å; H63-D85 VanDerWaalsContact ND1-OD2 3.09Å; Q64-D85 HydrophobicContact CB-CB 4.09Å; Q64-D85 PolarHBondContact N-OD2 3.16Å; Q64-D85 VanDerWaalsContact O-CB 3.29Å; Q64-D85 WeakPolarHBondContact O-CB 3.27Å; Q64-D85 PolarHBondContact O-N 2.79Å; S83-D85 VanDerWaalsContact CB-OD1 3.3Å; S83-D85 WeakPolarHBondContact CB-OD1 3.04Å; S83-D85 PolarHBondContact O-N 3.13Å; S83-D85 PolarHBondContact OG-N 2.79Å; S83-D85 PolarHBondContact OG-OD1 2.94Å; D85-H87 PolarHBondContact O-N 3.28Å; D85-H87 PolarHBondContact O-ND1 3.02Å; D85-H87 WeakPolarHBondContact OD1-CB 3.48Å; D85-H87 PolarHBondContact OD1-N 3.13Å; D85-H87 IonicContact OD1-ND1 3.43Å; D85-R89 IonicContact OD1-NH1 3.88Å; D85-R89 IonicContact OD2-CZ 2.84Å; D85-R89 IonicContact OD2-NH1 3.29Å; D85-R89 PolarHBondContact OD2-NH1 3.24Å; D85-R89 IonicContact OD2-NH2 3.57Å; D85-R89 PolarHBondContact OD2-NH2 2.83Å
86	A	97.3	Very high	97.1	Very high	16 Å²	16	28.4 Å²	28.4	13%	0.132	15%	0.154	C	C	.	.	S	Bend	trans	69.1	6.7	-178.8	0	0	0	0	0	115.7	S83 L84 A104 G105	S83-A86 PolarHBondContact O-N 3Å; L84-A86 PolarHBondContact O-N 2.79Å; L84-A86 VanDerWaalsContact O-N 3.14Å; A86-A104 PolarHBondContact O-N 2.9Å; A86-G105 WeakPolarHBondContact CB-O 3.4Å; A86-G105 PolarHBondContact O-N 2.89Å
87	H	98.1	Very high	97.3	Very high	56 Å²	56	31.2 Å²	31.2	26%	0.259	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.4	-178.6	-67.1	76	0	0	0	112.6	H63 S83 D85 S101 I102	H63-H87 PolarHBondContact CE1-O 3.22Å; S83-H87 PolarHBondContact N-O 2.89Å; D85-H87 PolarHBondContact O-N 3.28Å; D85-H87 PolarHBondContact O-ND1 3.02Å; D85-H87 WeakPolarHBondContact OD1-CB 3.48Å; D85-H87 PolarHBondContact OD1-N 3.13Å; D85-H87 IonicContact OD1-ND1 3.43Å; H87-S101 PolarHBondContact CD2-OG 2.86Å; H87-I102 CarbonylContact C-O 3.58Å; H87-I102 VanDerWaalsContact CA-O 3.3Å; H87-I102 WeakPolarHBondContact CA-O 3.47Å
88	I	98.6	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.6	160.1	-55.1	162.8	0	0	0	107.2	S81 S101 I102 A104 A109 L112 L121 T123 F133	S81-I88 CarbonylContact O-C 3.57Å; S81-I88 VanDerWaalsContact O-CA 3.25Å; S81-I88 WeakPolarHBondContact O-CA 3.37Å; I88-S101 CarbonylContact O-C 3.57Å; I88-S101 WeakPolarHBondContact O-CA 3.44Å; I88-I102 HydrophobicContact CB-CB 4.26Å; I88-I102 PolarHBondContact N-O 2.87Å; I88-I102 PolarHBondContact O-N 3.12Å; I88-A104 HydrophobicContact CD1-CB 3.89Å; I88-A104 HydrophobicContact CG1-CB 4Å; I88-A109 HydrophobicContact CD1-CB 4.01Å; I88-A109 HydrophobicContact CG1-CB 3.65Å; I88-L112 HydrophobicContact CD1-CD2 4.24Å; I88-L112 HydrophobicContact CG1-CD2 4.18Å; I88-L112 HydrophobicContact CG2-CD1 4.48Å; I88-L112 HydrophobicContact CG2-CD2 4.04Å; I88-L121 HydrophobicContact CG2-CD2 3.57Å; I88-T123 HydrophobicContact CD1-CG2 3.66Å; I88-T123 HydrophobicContact CG1-CG2 4.4Å; I88-F133 HydrophobicContact CD1-CD2 3.96Å; I88-F133 HydrophobicContact CD1-CE2 3.84Å; I88-F133 HydrophobicContact CD1-CG 4.41Å; I88-F133 HydrophobicContact CD1-CZ 4.2Å
89	R	98.7	Very high	97.5	Very high	24 Å²	24	36.7 Å²	36.7	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.7	173.8	-70.5	178.5	172.5	70.8	-2.7	110.4	G62 H63 A80 S81 D85 W91 Q98 K100	G62-R89 PolarHBondContact O-NH2 2.82Å; H63-R89 PolarHBondContact CE1-NH1 3.2Å; H63-R89 PolarHBondContact ND1-NH1 2.56Å; A80-R89 CarbonylContact C-O 3.6Å; A80-R89 VanDerWaalsContact CA-O 3.27Å; A80-R89 WeakPolarHBondContact CA-O 3.45Å; S81-R89 PolarHBondContact N-O 3.01Å; S81-R89 PolarHBondContact O-N 2.95Å; D85-R89 IonicContact OD1-NH1 3.88Å; D85-R89 IonicContact OD2-CZ 2.84Å; D85-R89 IonicContact OD2-NH1 3.29Å; D85-R89 PolarHBondContact OD2-NH1 3.24Å; D85-R89 IonicContact OD2-NH2 3.57Å; D85-R89 PolarHBondContact OD2-NH2 2.83Å; R89-W91 HydrophobicContact CB-CD2 4.4Å; R89-W91 HydrophobicContact CB-CH2 4.21Å; R89-W91 HydrophobicContact CB-CZ2 3.44Å; R89-W91 VanDerWaalsContact CB-CZ2 3.44Å; R89-W91 HydrophobicContact CG-CH2 4.47Å; R89-W91 HydrophobicContact CG-CZ2 4.03Å; R89-Q98 HydrophobicContact CB-CG 4.49Å; R89-K100 WeakPolarHBondContact CA-O 3.39Å
90	L	98.7	Very high	97.5	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.1	170.7	-62	-177.6	0	0	0	108.8	A79 A80 I99 K100 F114 L121 V135	A79-L90 CarbonylContact O-C 3.55Å; A79-L90 WeakPolarHBondContact O-CA 3.4Å; A80-L90 HydrophobicContact CB-CD2 3.67Å; L90-I99 HydrophobicContact CB-CB 4.31Å; L90-I99 PolarHBondContact O-N 3.45Å; L90-K100 HydrophobicContact CB-CB 4.28Å; L90-K100 HydrophobicContact CD1-CB 4.31Å; L90-K100 PolarHBondContact N-O 3.47Å; L90-K100 PolarHBondContact O-N 3.48Å; L90-F114 HydrophobicContact CD2-CZ 4.19Å; L90-L121 HydrophobicContact CD2-CD2 4.29Å; L90-V135 HydrophobicContact CD1-CG1 4.06Å
91	W	98.6	Very high	97.4	Very high	4 Å²	4	42 Å²	42	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.2	-173.2	-50.4	99.4	0	0	0	111.1	V44 L60 E61 H63 I78 A79 S81 R89 K97 Q98	V44-W91 HydrophobicContact CG2-CZ2 4.41Å; L60-W91 HydrophobicContact CB-CD2 4.12Å; L60-W91 HydrophobicContact CB-CE3 3.79Å; L60-W91 HydrophobicContact CB-CH2 4.08Å; L60-W91 HydrophobicContact CB-CZ2 4.39Å; L60-W91 HydrophobicContact CB-CZ3 3.77Å; L60-W91 HydrophobicContact CD1-CB 3.72Å; L60-W91 HydrophobicContact CD1-CD2 3.72Å; L60-W91 HydrophobicContact CD1-CE3 3.93Å; L60-W91 HydrophobicContact CD1-CG 3.64Å; L60-W91 HydrophobicContact CD2-CE3 4.24Å; L60-W91 HydrophobicContact CG-CD2 4.44Å; L60-W91 HydrophobicContact CG-CE3 4.21Å; E61-W91 WeakPolarHBondContact O-CH2 3.35Å; H63-W91 AromaticContact CD2-CZ2 3.98Å; I78-W91 CarbonylContact C-O 3.54Å; I78-W91 WeakPolarHBondContact CA-O 3.49Å; I78-W91 VanDerWaalsContact CB-O 3.24Å; I78-W91 WeakPolarHBondContact CB-O 3.46Å; A79-W91 PolarHBondContact N-O 2.77Å; A79-W91 PolarHBondContact O-N 2.71Å; S81-W91 PolarHBondContact OG-NE1 2.7Å; R89-W91 HydrophobicContact CB-CD2 4.4Å; R89-W91 HydrophobicContact CB-CH2 4.21Å; R89-W91 HydrophobicContact CB-CZ2 3.44Å; R89-W91 VanDerWaalsContact CB-CZ2 3.44Å; R89-W91 HydrophobicContact CG-CH2 4.47Å; R89-W91 HydrophobicContact CG-CZ2 4.03Å; W91-K97 WeakPolarHBondContact CA-O 3.25Å; W91-Q98 HydrophobicContact CE3-CB 3.82Å; W91-Q98 HydrophobicContact CE3-CG 4.16Å; W91-Q98 HydrophobicContact CH2-CG 4.45Å; W91-Q98 HydrophobicContact CZ3-CB 3.64Å; W91-Q98 HydrophobicContact CZ3-CG 3.99Å
92	D	96.9	Very high	97.4	Very high	33 Å²	33	42.5 Å²	42.5	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	114.2	168.5	-177	-29.4	0	0	0	108.9	E94 N95 G96 K97 I99	D92-E94 VanDerWaalsContact C-N 3.32Å; D92-E94 WeakPolarHBondContact OD1-CA 3.17Å; D92-E94 WeakPolarHBondContact OD1-CB 3.43Å; D92-E94 PolarHBondContact OD1-N 2.91Å; D92-N95 HydrophobicContact CB-CB 4.49Å; D92-N95 PolarHBondContact OD1-N 3.07Å; D92-N95 PolarHBondContact OD1-ND2 3.41Å; D92-N95 PolarHBondContact OD2-ND2 3.46Å; D92-G96 WeakPolarHBondContact O-CA 3.5Å; D92-G96 PolarHBondContact O-N 3.5Å; D92-K97 PolarHBondContact N-O 3.07Å; D92-K97 PolarHBondContact O-N 2.97Å; D92-I99 HydrophobicContact CB-CD1 3.89Å; D92-I99 HydrophobicContact CB-CG1 3.81Å
93	L	95.8	Very high	97.3	Very high	9 Å²	9	48 Å²	48	5%	0.047	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-18	-178.2	-61.5	179.2	0	0	0	113	V36 V46 W58 I72 P77 A79	V36-L93 HydrophobicContact CG2-CD2 4.07Å; V46-L93 HydrophobicContact CG1-CD2 3.99Å; V46-L93 HydrophobicContact CG2-CD2 3.72Å; W58-L93 PolarHBondContact NE1-O 2.87Å; I72-L93 HydrophobicContact CG2-CD1 4.14Å; P77-L93 WeakPolarHBondContact O-CB 3.24Å; P77-L93 PolarHBondContact O-N 2.94Å; A79-L93 HydrophobicContact CB-CD1 4.21Å; A79-L93 HydrophobicContact CB-CD2 3.77Å; A79-L93 HydrophobicContact CB-CG 4.21Å
94	E	93.4	Very high	97.1	Very high	97 Å²	97	48.2 Å²	48.2	45%	0.453	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-42	176.4	-69.6	175.1	176.5	0	0	110.8	W58 P77 D92	W58-E94 WeakPolarHBondContact CZ2-O 3.23Å; P77-E94 HydrophobicContact CB-CG 3.94Å; P77-E94 HydrophobicContact CG-CG 4.37Å; D92-E94 VanDerWaalsContact C-N 3.32Å; D92-E94 WeakPolarHBondContact OD1-CA 3.17Å; D92-E94 WeakPolarHBondContact OD1-CB 3.43Å; D92-E94 PolarHBondContact OD1-N 2.91Å
95	N	95.4	Very high	97	Very high	89 Å²	89	45.5 Å²	45.5	48%	0.476	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7.7	-172.6	-62.8	-69.9	0	0	0	114.8	D92 K97	D92-N95 HydrophobicContact CB-CB 4.49Å; D92-N95 PolarHBondContact OD1-N 3.07Å; D92-N95 PolarHBondContact OD1-ND2 3.41Å; D92-N95 PolarHBondContact OD2-ND2 3.46Å; N95-K97 HydrophobicContact CB-CD 4.49Å; N95-K97 PolarHBondContact O-N 3.41Å
96	G	96.2	Very high	96.7	Very high	21 Å²	21	49 Å²	49	22%	0.216	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	35.2	179.7	0	0	0	0	0	113.2	L60 D92	L60-G96 WeakPolarHBondContact CD2-O 3.5Å; D92-G96 WeakPolarHBondContact O-CA 3.5Å; D92-G96 PolarHBondContact O-N 3.5Å
97	K	97.5	Very high	96.3	Very high	141 Å²	141	50.8 Å²	50.8	61%	0.613	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.2	-174.6	-70.8	180	-176.6	175.9	0	111.9	W91 D92 N95 I99	W91-K97 WeakPolarHBondContact CA-O 3.25Å; D92-K97 PolarHBondContact N-O 3.07Å; D92-K97 PolarHBondContact O-N 2.97Å; N95-K97 HydrophobicContact CB-CD 4.49Å; N95-K97 PolarHBondContact O-N 3.41Å; K97-I99 PolarHBondContact O-N 3.25Å
98	Q	98.2	Very high	96.1	Very high	88 Å²	88	49.5 Å²	49.5	41%	0.411	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	123.2	166.8	-164.9	-170.8	-87.4	0	0	109.6	R89 W91	R89-Q98 HydrophobicContact CB-CG 4.49Å; W91-Q98 HydrophobicContact CE3-CB 3.82Å; W91-Q98 HydrophobicContact CE3-CG 4.16Å; W91-Q98 HydrophobicContact CH2-CG 4.45Å; W91-Q98 HydrophobicContact CZ3-CB 3.64Å; W91-Q98 HydrophobicContact CZ3-CG 3.99Å
99	I	97.7	Very high	96	Very high	90 Å²	90	49.8 Å²	49.8	46%	0.462	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-46.2	173.4	-59.3	169.7	0	0	0	109.6	I78 L90 D92 K97	I78-I99 HydrophobicContact CB-CD1 4.22Å; I78-I99 HydrophobicContact CG2-CD1 3.44Å; I78-I99 VanDerWaalsContact CG2-CD1 3.44Å; L90-I99 HydrophobicContact CB-CB 4.31Å; L90-I99 PolarHBondContact O-N 3.45Å; D92-I99 HydrophobicContact CB-CD1 3.89Å; D92-I99 HydrophobicContact CB-CG1 3.81Å; K97-I99 PolarHBondContact O-N 3.25Å
100	K	96.8	Very high	96	Very high	64 Å²	64	51.5 Å²	51.5	28%	0.278	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.9	-173.3	-162.3	168.1	-62.1	-161.6	0	111.3	R89 L90 I102 E136 S137	R89-K100 WeakPolarHBondContact CA-O 3.39Å; L90-K100 HydrophobicContact CB-CB 4.28Å; L90-K100 HydrophobicContact CD1-CB 4.31Å; L90-K100 PolarHBondContact N-O 3.47Å; L90-K100 PolarHBondContact O-N 3.48Å; K100-I102 HydrophobicContact CD-CG1 4.22Å; K100-I102 HydrophobicContact CG-CG1 4.22Å; K100-E136 PolarHBondContact NZ-O 3.27Å; K100-S137 PolarHBondContact NZ-O 3.02Å
101	S	97.6	Very high	96	Very high	49 Å²	49	52.2 Å²	52.2	34%	0.343	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.9	165.4	-174.7	0	0	0	0	108.3	H87 I88	H87-S101 PolarHBondContact CD2-OG 2.86Å; I88-S101 CarbonylContact O-C 3.57Å; I88-S101 WeakPolarHBondContact O-CA 3.44Å
102	I	97.8	Very high	95.9	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.4	-177.1	-56.4	170.6	0	0	0	106.9	H87 I88 K100 A104 F133	H87-I102 CarbonylContact C-O 3.58Å; H87-I102 VanDerWaalsContact CA-O 3.3Å; H87-I102 WeakPolarHBondContact CA-O 3.47Å; I88-I102 HydrophobicContact CB-CB 4.26Å; I88-I102 PolarHBondContact N-O 2.87Å; I88-I102 PolarHBondContact O-N 3.12Å; K100-I102 HydrophobicContact CD-CG1 4.22Å; K100-I102 HydrophobicContact CG-CG1 4.22Å; I102-A104 PolarHBondContact O-N 2.78Å; I102-F133 HydrophobicContact CG2-CD1 3.69Å; I102-F133 HydrophobicContact CG2-CE1 3.66Å
103	D	96.8	Very high	96	Very high	114 Å²	114	51.4 Å²	51.4	61%	0.61	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	108.2	169	-177.3	-3.9	0	0	0	108.5	G105	D103-G105 PolarHBondContact OD1-N 3.39Å
104	A	95.4	Very high	96.1	Very high	11 Å²	11	51.1 Å²	51.1	9%	0.091	28%	0.275	C	S	.	.			trans	-87.5	-17.7	178.6	0	0	0	0	0	112.3	A86 I88 I102 D108 A109 F133	A86-A104 PolarHBondContact O-N 2.9Å; I88-A104 HydrophobicContact CD1-CB 3.89Å; I88-A104 HydrophobicContact CG1-CB 4Å; I102-A104 PolarHBondContact O-N 2.78Å; A104-D108 WeakPolarHBondContact O-CB 3.24Å; A104-A109 HydrophobicContact CB-CB 3.72Å; A104-F133 HydrophobicContact CB-CZ 4.03Å
105	G	93.1	Very high	96.4	Very high	13 Å²	13	46.7 Å²	46.7	13%	0.134	26%	0.255	C	S	.	.			trans	91.5	159.7	-167.2	0	0	0	0	0	113.2	A86 D103 V107 D108	A86-G105 WeakPolarHBondContact CB-O 3.4Å; A86-G105 PolarHBondContact O-N 2.89Å; D103-G105 PolarHBondContact OD1-N 3.39Å; G105-V107 PolarHBondContact O-N 2.86Å; G105-D108 PolarHBondContact O-N 2.88Å
106	P	91.9	Very high	96.5	Very high	96 Å²	96	44.4 Å²	44.4	62%	0.623	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	121.3	-174.3	26.4	-34	0	0	0	111	D108 H126	P106-D108 PolarHBondContact O-N 2.76Å; P106-H126 PolarHBondContact O-CE1 2.87Å; P106-H126 VanDerWaalsContact O-CE1 3.26Å; P106-H126 PolarHBondContact O-ND1 2.87Å
107	V	90	Very high	96.5	Very high	54 Å²	54	47 Å²	47	33%	0.327	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.2	179	-153.3	0	0	0	0	113	G105 W110 H126 F150	G105-V107 PolarHBondContact O-N 2.86Å; V107-W110 HydrophobicContact CG1-CE3 4.35Å; V107-H126 HydrophobicContact CB-CB 4.09Å; V107-H126 HydrophobicContact CG1-CB 3.85Å; V107-H126 PolarHBondContact O-N 3.41Å; V107-H126 PolarHBondContact O-ND1 2.97Å; V107-H126 VanDerWaalsContact O-ND1 3.13Å; V107-F150 HydrophobicContact CG1-CE1 3.81Å; V107-F150 HydrophobicContact CG1-CE2 4.14Å; V107-F150 HydrophobicContact CG1-CZ 3.35Å
108	D	92.9	Very high	96.5	Very high	29 Å²	29	40.4 Å²	40.4	16%	0.155	23%	0.226	C	C	.	.	S	Bend	trans	-100.8	0.6	175.5	-87.8	15.8	0	0	0	112.9	A104 G105 P106 T123 G124 T125 H126	A104-D108 WeakPolarHBondContact O-CB 3.24Å; G105-D108 PolarHBondContact O-N 2.88Å; P106-D108 PolarHBondContact O-N 2.76Å; D108-T123 PolarHBondContact O-OG1 2.93Å; D108-G124 CarbonylContact C-O 3.49Å; D108-T125 HydrophobicContact CB-CG2 3.93Å; D108-T125 WeakPolarHBondContact O-CG2 3.25Å; D108-T125 WeakPolarHBondContact OD1-CB 3.28Å; D108-H126 IonicContact OD1-CE1 3.4Å; D108-H126 PolarHBondContact OD1-CE1 2.84Å; D108-H126 VanDerWaalsContact OD1-CE1 3.3Å; D108-H126 IonicContact OD1-ND1 3.78Å; D108-H126 PolarHBondContact OD1-ND1 2.91Å; D108-H126 VanDerWaalsContact OD1-ND1 3.09Å
109	A	96.9	Very high	96.5	Very high	6 Å²	6	41.9 Å²	41.9	5%	0.05	23%	0.233	C	C	.	.			trans	-134	54.2	175.4	0	0	0	0	0	112	S82 I88 A104 T123	S82-A109 WeakPolarHBondContact CB-O 3.31Å; S82-A109 PolarHBondContact OG-O 3.32Å; I88-A109 HydrophobicContact CD1-CB 4.01Å; I88-A109 HydrophobicContact CG1-CB 3.65Å; A104-A109 HydrophobicContact CB-CB 3.72Å; A109-T123 HydrophobicContact CB-CG2 3.75Å
110	W	97.9	Very high	96.5	Very high	60 Å²	60	41.5 Å²	41.5	23%	0.227	23%	0.226	C	C	.	.	S	Bend	trans	-67	-43.5	-179.3	-179.1	-92	0	0	0	112.9	W20 V68 L84 V107 G124 F150	W20-W110 HydrophobicContact CZ3-CH2 4.25Å; V68-W110 HydrophobicContact CG1-CD2 3.91Å; V68-W110 HydrophobicContact CG1-CE3 4.1Å; V68-W110 HydrophobicContact CG1-CG 4.4Å; V68-W110 HydrophobicContact CG1-CH2 4.37Å; V68-W110 HydrophobicContact CG1-CZ2 4.16Å; V68-W110 HydrophobicContact CG1-CZ3 4.35Å; V68-W110 WeakPolarHBondContact CG1-O 3.16Å; L84-W110 HydrophobicContact CD2-CE3 4.17Å; L84-W110 HydrophobicContact CD2-CZ3 3.85Å; V107-W110 HydrophobicContact CG1-CE3 4.35Å; W110-G124 PolarHBondContact N-O 3.01Å; W110-F150 HydrophobicContact CB-CE2 3.57Å; W110-F150 HydrophobicContact CB-CZ 4.01Å; W110-F150 AromaticContact CD2-CE2 3.92Å; W110-F150 HydrophobicContact CD2-CE2 3.92Å; W110-F150 AromaticContact CD2-CZ 3.61Å; W110-F150 HydrophobicContact CD2-CZ 3.61Å; W110-F150 HydrophobicContact CE3-CE1 4.46Å; W110-F150 HydrophobicContact CE3-CE2 4.26Å; W110-F150 AromaticContact CE3-CZ 3.53Å; W110-F150 HydrophobicContact CE3-CZ 3.53Å; W110-F150 AromaticContact CG-CE2 3.61Å; W110-F150 HydrophobicContact CG-CE2 3.61Å; W110-F150 AromaticContact CG-CZ 3.83Å; W110-F150 HydrophobicContact CG-CZ 3.83Å; W110-F150 HydrophobicContact CZ3-CZ 4.22Å
111	T	98.2	Very high	96.6	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.117	21%	0.213	C	C	.	.	S	Bend	trans	-123	151.6	178.3	179.9	0	0	0	0	109.2	T123 G124 I154	T111-T123 WeakPolarHBondContact O-CA 3.39Å; T111-G124 PolarHBondContact O-N 3.07Å; T111-I154 HydrophobicContact CG2-CB 4.28Å; T111-I154 HydrophobicContact CG2-CD1 3.92Å; T111-I154 HydrophobicContact CG2-CG1 3.68Å; T111-I154 HydrophobicContact CG2-CG2 3.96Å
112	L	98.1	Very high	96.7	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.7	175.5	-68.4	168.7	0	0	0	111.4	S69 A80 I88 L121 A122 T123	S69-L112 PolarHBondContact OG-N 3.03Å; A80-L112 HydrophobicContact CB-CD1 4.05Å; I88-L112 HydrophobicContact CD1-CD2 4.24Å; I88-L112 HydrophobicContact CG1-CD2 4.18Å; I88-L112 HydrophobicContact CG2-CD1 4.48Å; I88-L112 HydrophobicContact CG2-CD2 4.04Å; L112-L121 HydrophobicContact CB-CD1 4.37Å; L112-L121 HydrophobicContact CD2-CD1 4.15Å; L112-L121 HydrophobicContact CD2-CD2 3.77Å; L112-L121 HydrophobicContact CD2-CG 3.86Å; L112-A122 WeakPolarHBondContact CA-O 3.36Å; L112-T123 HydrophobicContact CD2-CG2 3.29Å; L112-T123 HydrophobicContact CG-CG2 4.4Å
113	A	98.7	Very high	96.7	Very high	10 Å²	10	35.8 Å²	35.8	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	127.2	164.9	0	0	0	0	0	110.1	D71 A122 I154 Y156	D71-A113 WeakPolarHBondContact OD2-CA 3.36Å; A113-A122 PolarHBondContact N-O 3.02Å; A113-A122 VanDerWaalsContact N-O 3.15Å; A113-A122 PolarHBondContact O-N 3.36Å; A113-I154 HydrophobicContact CB-CD1 3.99Å; A113-I154 HydrophobicContact CB-CG1 3.94Å; A113-Y156 HydrophobicContact CB-CD2 4.05Å; A113-Y156 HydrophobicContact CB-CE2 4.45Å
114	F	98.6	Very high	96.8	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.6	167.2	-80.3	-79.5	0	0	0	110.1	D71 I78 A80 L90 Y120 L121 V135 Y156	D71-F114 HydrophobicContact CB-CD2 4.05Å; D71-F114 HydrophobicContact CB-CE2 4.48Å; D71-F114 PolarHBondContact OD2-N 3.01Å; I78-F114 HydrophobicContact CD1-CE1 4.13Å; I78-F114 HydrophobicContact CD1-CZ 4.12Å; I78-F114 HydrophobicContact CG1-CE1 4.48Å; I78-F114 HydrophobicContact CG1-CZ 4.11Å; A80-F114 HydrophobicContact CB-CE2 3.58Å; A80-F114 HydrophobicContact CB-CZ 3.65Å; L90-F114 HydrophobicContact CD2-CZ 4.19Å; F114-Y120 WeakPolarHBondContact CA-O 3.48Å; F114-L121 HydrophobicContact CD1-CD1 4.02Å; F114-L121 HydrophobicContact CD2-CD1 4.06Å; F114-L121 HydrophobicContact CE1-CD1 4.13Å; F114-L121 HydrophobicContact CE2-CD1 4.17Å; F114-L121 HydrophobicContact CG-CD1 3.99Å; F114-L121 HydrophobicContact CZ-CD1 4.21Å; F114-V135 HydrophobicContact CD1-CG2 3.98Å; F114-V135 HydrophobicContact CE1-CG1 4.34Å; F114-V135 HydrophobicContact CE1-CG2 3.68Å; F114-Y156 VanDerWaalsContact O-CD2 3.26Å; F114-Y156 WeakPolarHBondContact O-CD2 3.36Å
115	S	98.5	Very high	96.9	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	16%	0.161	C	C	.	.			trans	-64.3	156.9	166.1	57.8	0	0	0	0	110.4	D117 S118 Q119 Y120	S115-D117 WeakPolarHBondContact CB-OD1 3.33Å; S115-D117 PolarHBondContact O-N 2.99Å; S115-D117 VanDerWaalsContact O-N 3.1Å; S115-D117 PolarHBondContact OG-OD1 2.84Å; S115-S118 WeakPolarHBondContact O-CA 3.21Å; S115-S118 PolarHBondContact O-N 2.85Å; S115-S118 PolarHBondContact OG-N 2.84Å; S115-Q119 PolarHBondContact OG-N 2.98Å; S115-Y120 PolarHBondContact N-O 3.15Å; S115-Y120 PolarHBondContact OG-N 3.03Å; S115-Y120 PolarHBondContact OG-O 3.11Å
116	P	97.4	Very high	97.1	Very high	41 Å²	41	33.1 Å²	33.1	27%	0.266	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.1	-178.9	-29.2	37	0	0	0	114.4	S157	P116-S157 WeakPolarHBondContact CG-O 3.46Å
117	D	97.1	Very high	97.2	Very high	77 Å²	77	32 Å²	32	41%	0.412	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.1	174.3	63.3	5.2	0	0	0	114.1	T75 S115 Q119	T75-D117 PolarHBondContact OG1-O 3.3Å; S115-D117 WeakPolarHBondContact CB-OD1 3.33Å; S115-D117 PolarHBondContact O-N 2.99Å; S115-D117 VanDerWaalsContact O-N 3.1Å; S115-D117 PolarHBondContact OG-OD1 2.84Å; D117-Q119 HydrophobicContact CB-CG 4.36Å; D117-Q119 PolarHBondContact O-N 3.42Å; D117-Q119 PolarHBondContact OD1-N 3.04Å
118	S	97.4	Very high	97.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	15%	0.149	C	C	.	.	S	Bend	trans	57.5	20.8	-174.3	-51.1	0	0	0	0	115.7	S73 H74 T75 S115 V135	S73-S118 WeakPolarHBondContact OG-CB 3.35Å; S73-S118 PolarHBondContact OG-OG 2.86Å; H74-S118 PolarHBondContact N-OG 3.18Å; T75-S118 PolarHBondContact N-OG 3.03Å; T75-S118 WeakPolarHBondContact OG1-CB 3.45Å; T75-S118 PolarHBondContact OG1-OG 3Å; S115-S118 WeakPolarHBondContact O-CA 3.21Å; S115-S118 PolarHBondContact O-N 2.85Å; S115-S118 PolarHBondContact OG-N 2.84Å; S118-V135 WeakPolarHBondContact O-CG2 3.36Å
119	Q	97.9	Very high	97.8	Very high	119 Å²	119	31.8 Å²	31.8	56%	0.556	16%	0.157	S	C	*	.	S	Bend	trans	-79.5	-25.2	173.8	-64.8	-162.6	-13	0	0	112.5	S115 D117 V135	S115-Q119 PolarHBondContact OG-N 2.98Å; D117-Q119 HydrophobicContact CB-CG 4.36Å; D117-Q119 PolarHBondContact O-N 3.42Å; D117-Q119 PolarHBondContact OD1-N 3.04Å; Q119-V135 WeakPolarHBondContact O-CB 3.42Å; Q119-V135 WeakPolarHBondContact O-CG2 3.15Å; Q119-V135 PolarHBondContact O-N 3.24Å
120	Y	98.3	Very high	97.9	Very high	82 Å²	82	31.5 Å²	31.5	32%	0.322	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	157.3	-177	-57	-79	0	0	0	111.9	F114 S115 I132 F133 E141	F114-Y120 WeakPolarHBondContact CA-O 3.48Å; S115-Y120 PolarHBondContact N-O 3.15Å; S115-Y120 PolarHBondContact OG-N 3.03Å; S115-Y120 PolarHBondContact OG-O 3.11Å; Y120-I132 HydrophobicContact CD1-CG2 3.78Å; Y120-I132 HydrophobicContact CG-CG2 3.99Å; Y120-F133 CarbonylContact C-O 3.52Å; Y120-F133 VanDerWaalsContact CA-O 3.27Å; Y120-F133 WeakPolarHBondContact CA-O 3.49Å; Y120-E141 HydrophobicContact CE1-CG 4.34Å
121	L	98.4	Very high	97.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.7	173.7	-171.8	69.9	0	0	0	108.1	A80 I88 L90 L112 F114 F133 V135	A80-L121 HydrophobicContact CB-CD1 3.87Å; A80-L121 HydrophobicContact CB-CD2 3.86Å; I88-L121 HydrophobicContact CG2-CD2 3.57Å; L90-L121 HydrophobicContact CD2-CD2 4.29Å; L112-L121 HydrophobicContact CB-CD1 4.37Å; L112-L121 HydrophobicContact CD2-CD1 4.15Å; L112-L121 HydrophobicContact CD2-CD2 3.77Å; L112-L121 HydrophobicContact CD2-CG 3.86Å; F114-L121 HydrophobicContact CD1-CD1 4.02Å; F114-L121 HydrophobicContact CD2-CD1 4.06Å; F114-L121 HydrophobicContact CE1-CD1 4.13Å; F114-L121 HydrophobicContact CE2-CD1 4.17Å; F114-L121 HydrophobicContact CG-CD1 3.99Å; F114-L121 HydrophobicContact CZ-CD1 4.21Å; L121-F133 PolarHBondContact N-O 3.17Å; L121-F133 PolarHBondContact O-N 2.93Å; L121-V135 HydrophobicContact CB-CG2 4.29Å
122	A	98.6	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149.7	174.5	0	0	0	0	0	110.6	L112 A113 V130 N131 I132 I154 Y156 L163	L112-A122 WeakPolarHBondContact CA-O 3.36Å; A113-A122 PolarHBondContact N-O 3.02Å; A113-A122 VanDerWaalsContact N-O 3.15Å; A113-A122 PolarHBondContact O-N 3.36Å; A122-V130 HydrophobicContact CB-CG1 4.01Å; A122-N131 CarbonylContact C-O 3.58Å; A122-N131 WeakPolarHBondContact CA-O 3.36Å; A122-I132 HydrophobicContact CB-CD1 3.57Å; A122-I154 HydrophobicContact CB-CD1 3.63Å; A122-I154 VanDerWaalsContact O-CD1 3.25Å; A122-I154 WeakPolarHBondContact O-CD1 3.49Å; A122-Y156 HydrophobicContact CB-CE2 3.5Å; A122-L163 HydrophobicContact CB-CD1 3.76Å
123	T	98.7	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.6	175.7	44.2	0	0	0	0	112.5	I88 D108 A109 T111 L112 V130 N131 F133	I88-T123 HydrophobicContact CD1-CG2 3.66Å; I88-T123 HydrophobicContact CG1-CG2 4.4Å; D108-T123 PolarHBondContact O-OG1 2.93Å; A109-T123 HydrophobicContact CB-CG2 3.75Å; T111-T123 WeakPolarHBondContact O-CA 3.39Å; L112-T123 HydrophobicContact CD2-CG2 3.29Å; L112-T123 HydrophobicContact CG-CG2 4.4Å; T123-V130 CarbonylContact O-C 3.54Å; T123-V130 WeakPolarHBondContact O-CA 3.4Å; T123-N131 PolarHBondContact N-O 2.7Å; T123-N131 PolarHBondContact O-N 3.44Å; T123-N131 WeakPolarHBondContact OG1-CB 3.47Å; T123-N131 PolarHBondContact OG1-O 3.31Å; T123-N131 VanDerWaalsContact OG1-O 3.08Å; T123-F133 HydrophobicContact CG2-CE2 4.36Å; T123-F133 WeakPolarHBondContact OG1-CE2 3.48Å
124	G	98.3	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.1	172	0	0	0	0	0	112.3	D108 W110 T111	D108-G124 CarbonylContact C-O 3.49Å; W110-G124 PolarHBondContact N-O 3.01Å; T111-G124 PolarHBondContact O-N 3.07Å
125	T	97.9	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.			trans	-109	157.5	178.5	81	0	0	0	0	113.4	D108 V127 G128 K129 N131 F150 I151	D108-T125 HydrophobicContact CB-CG2 3.93Å; D108-T125 WeakPolarHBondContact O-CG2 3.25Å; D108-T125 WeakPolarHBondContact OD1-CB 3.28Å; T125-V127 PolarHBondContact O-N 2.85Å; T125-V127 VanDerWaalsContact OG1-CG2 3.27Å; T125-V127 WeakPolarHBondContact OG1-CG2 3.42Å; T125-V127 PolarHBondContact OG1-N 2.89Å; T125-G128 PolarHBondContact O-N 3.16Å; T125-K129 HydrophobicContact CG2-CB 4.08Å; T125-K129 WeakPolarHBondContact CG2-O 3.36Å; T125-K129 PolarHBondContact N-O 3.07Å; T125-K129 WeakPolarHBondContact OG1-CB 3.48Å; T125-K129 PolarHBondContact OG1-N 2.8Å; T125-K129 PolarHBondContact OG1-O 3.03Å; T125-N131 VanDerWaalsContact CG2-ND2 3.29Å; T125-N131 WeakPolarHBondContact CG2-ND2 3.29Å; T125-F150 WeakPolarHBondContact O-CA 3.37Å; T125-I151 PolarHBondContact O-N 3.42Å
126	H	96.7	Very high	97.7	Very high	82 Å²	82	36.3 Å²	36.3	38%	0.38	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.7	173	71.2	-69.8	0	0	0	114.9	P106 V107 D108 F150	P106-H126 PolarHBondContact O-CE1 2.87Å; P106-H126 VanDerWaalsContact O-CE1 3.26Å; P106-H126 PolarHBondContact O-ND1 2.87Å; V107-H126 HydrophobicContact CB-CB 4.09Å; V107-H126 HydrophobicContact CG1-CB 3.85Å; V107-H126 PolarHBondContact O-N 3.41Å; V107-H126 PolarHBondContact O-ND1 2.97Å; V107-H126 VanDerWaalsContact O-ND1 3.13Å; D108-H126 IonicContact OD1-CE1 3.4Å; D108-H126 PolarHBondContact OD1-CE1 2.84Å; D108-H126 VanDerWaalsContact OD1-CE1 3.3Å; D108-H126 IonicContact OD1-ND1 3.78Å; D108-H126 PolarHBondContact OD1-ND1 2.91Å; D108-H126 VanDerWaalsContact OD1-ND1 3.09Å; H126-F150 VanDerWaalsContact CA-CD2 3.5Å; H126-F150 HydrophobicContact CB-CD1 3.97Å; H126-F150 HydrophobicContact CB-CD2 4.13Å; H126-F150 HydrophobicContact CB-CE1 4.09Å; H126-F150 HydrophobicContact CB-CE2 4.26Å; H126-F150 HydrophobicContact CB-CG 3.99Å; H126-F150 HydrophobicContact CB-CZ 4.24Å; H126-F150 WeakPolarHBondContact O-CA 3.26Å; H126-F150 PolarHBondContact O-N 3.09Å
127	V	95.9	Very high	97.7	Very high	73 Å²	73	36.7 Å²	36.7	44%	0.442	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	17.5	-179.8	-63	0	0	0	0	113.8	T125 K129	T125-V127 PolarHBondContact O-N 2.85Å; T125-V127 VanDerWaalsContact OG1-CG2 3.27Å; T125-V127 WeakPolarHBondContact OG1-CG2 3.42Å; T125-V127 PolarHBondContact OG1-N 2.89Å; V127-K129 HydrophobicContact CG2-CD 4.44Å; V127-K129 HydrophobicContact CG2-CG 4.36Å
128	G	96.4	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	76.5	26.1	175.3	0	0	0	0	0	114.7	T125 T146 K149	T125-G128 PolarHBondContact O-N 3.16Å; G128-T146 WeakPolarHBondContact O-CB 3.28Å; G128-T146 PolarHBondContact O-N 3.02Å; G128-T146 PolarHBondContact O-OG1 2.78Å; G128-K149 WeakPolarHBondContact CA-O 3.33Å; G128-K149 PolarHBondContact N-O 2.88Å
129	K	97.7	Very high	97.6	Very high	78 Å²	78	40.4 Å²	40.4	34%	0.339	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.6	173.6	-64.3	-176.2	176.9	-178.6	0	110.8	T125 V127 L144 D145	T125-K129 HydrophobicContact CG2-CB 4.08Å; T125-K129 WeakPolarHBondContact CG2-O 3.36Å; T125-K129 PolarHBondContact N-O 3.07Å; T125-K129 WeakPolarHBondContact OG1-CB 3.48Å; T125-K129 PolarHBondContact OG1-N 2.8Å; T125-K129 PolarHBondContact OG1-O 3.03Å; V127-K129 HydrophobicContact CG2-CD 4.44Å; V127-K129 HydrophobicContact CG2-CG 4.36Å; K129-L144 CarbonylContact C-O 3.52Å; K129-L144 WeakPolarHBondContact CA-O 3.31Å; K129-D145 VanDerWaalsContact CE-OD2 3.31Å; K129-D145 WeakPolarHBondContact CE-OD2 3.4Å; K129-D145 IonicContact NZ-OD2 3.97Å
130	V	98.5	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.4	162.1	-176.6	0	0	0	0	107.6	A122 T123 I132 S143 L144 I151 I154 L163	A122-V130 HydrophobicContact CB-CG1 4.01Å; T123-V130 CarbonylContact O-C 3.54Å; T123-V130 WeakPolarHBondContact O-CA 3.4Å; V130-I132 HydrophobicContact CG1-CD1 3.98Å; V130-S143 CarbonylContact O-C 3.55Å; V130-S143 VanDerWaalsContact O-CA 3.27Å; V130-S143 WeakPolarHBondContact O-CA 3.41Å; V130-L144 HydrophobicContact CB-CB 4.22Å; V130-L144 PolarHBondContact N-O 2.9Å; V130-L144 PolarHBondContact O-N 2.93Å; V130-I151 HydrophobicContact CG2-CG2 4.48Å; V130-I154 HydrophobicContact CG1-CG2 4.32Å; V130-I154 HydrophobicContact CG2-CG2 4.12Å; V130-L163 HydrophobicContact CB-CD2 4.36Å; V130-L163 HydrophobicContact CG1-CD1 4Å; V130-L163 HydrophobicContact CG1-CD2 3.92Å; V130-L163 HydrophobicContact CG2-CD2 4.05Å
131	N	98.2	Very high	97.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.5	177.4	-69.1	-33.4	0	0	0	109.7	A122 T123 T125 F133 K140 S143	A122-N131 CarbonylContact C-O 3.58Å; A122-N131 WeakPolarHBondContact CA-O 3.36Å; T123-N131 PolarHBondContact N-O 2.7Å; T123-N131 PolarHBondContact O-N 3.44Å; T123-N131 WeakPolarHBondContact OG1-CB 3.47Å; T123-N131 PolarHBondContact OG1-O 3.31Å; T123-N131 VanDerWaalsContact OG1-O 3.08Å; T125-N131 VanDerWaalsContact CG2-ND2 3.29Å; T125-N131 WeakPolarHBondContact CG2-ND2 3.29Å; N131-F133 HydrophobicContact CB-CD2 4.24Å; N131-F133 HydrophobicContact CB-CE2 3.57Å; N131-F133 HydrophobicContact CB-CZ 4.22Å; N131-K140 HydrophobicContact CB-CD 3.94Å; N131-K140 HydrophobicContact CB-CG 4.41Å; N131-S143 PolarHBondContact OD1-OG 3.48Å
132	I	98.1	Very high	97.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.7	176.6	-51.9	-52.8	0	0	0	109	Y120 A122 V130 E141 Y142 L163	Y120-I132 HydrophobicContact CD1-CG2 3.78Å; Y120-I132 HydrophobicContact CG-CG2 3.99Å; A122-I132 HydrophobicContact CB-CD1 3.57Å; V130-I132 HydrophobicContact CG1-CD1 3.98Å; I132-E141 PolarHBondContact O-N 3.01Å; I132-Y142 HydrophobicContact CB-CD1 4.16Å; I132-Y142 HydrophobicContact CB-CD2 4.18Å; I132-Y142 HydrophobicContact CB-CE1 3.87Å; I132-Y142 HydrophobicContact CB-CE2 3.91Å; I132-Y142 HydrophobicContact CB-CG 4.3Å; I132-Y142 HydrophobicContact CG1-CD2 3.86Å; I132-Y142 HydrophobicContact CG1-CE1 4.24Å; I132-Y142 HydrophobicContact CG1-CE2 3.37Å; I132-Y142 HydrophobicContact CG1-CG 4.48Å; I132-Y142 HydrophobicContact CG2-CD1 4.4Å; I132-Y142 HydrophobicContact CG2-CE1 3.72Å; I132-Y142 HydrophobicContact CG2-CE2 4.39Å; I132-Y142 PolarHBondContact N-O 2.9Å; I132-Y142 PolarHBondContact O-N 2.85Å; I132-L163 HydrophobicContact CD1-CD1 4.19Å
133	F	98.3	Very high	97.4	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.2	177.3	-65.4	-96.9	0	0	0	110.2	I88 I102 A104 Y120 L121 T123 N131 K139 K140	I88-F133 HydrophobicContact CD1-CD2 3.96Å; I88-F133 HydrophobicContact CD1-CE2 3.84Å; I88-F133 HydrophobicContact CD1-CG 4.41Å; I88-F133 HydrophobicContact CD1-CZ 4.2Å; I102-F133 HydrophobicContact CG2-CD1 3.69Å; I102-F133 HydrophobicContact CG2-CE1 3.66Å; A104-F133 HydrophobicContact CB-CZ 4.03Å; Y120-F133 CarbonylContact C-O 3.52Å; Y120-F133 VanDerWaalsContact CA-O 3.27Å; Y120-F133 WeakPolarHBondContact CA-O 3.49Å; L121-F133 PolarHBondContact N-O 3.17Å; L121-F133 PolarHBondContact O-N 2.93Å; T123-F133 HydrophobicContact CG2-CE2 4.36Å; T123-F133 WeakPolarHBondContact OG1-CE2 3.48Å; N131-F133 HydrophobicContact CB-CD2 4.24Å; N131-F133 HydrophobicContact CB-CE2 3.57Å; N131-F133 HydrophobicContact CB-CZ 4.22Å; F133-K139 CarbonylContact C-O 3.57Å; F133-K139 VanDerWaalsContact CA-O 3.24Å; F133-K139 WeakPolarHBondContact CA-O 3.4Å; F133-K140 HydrophobicContact CD1-CB 3.9Å; F133-K140 HydrophobicContact CE1-CB 3.66Å; F133-K140 HydrophobicContact CE1-CG 4.44Å; F133-K140 HydrophobicContact CZ-CB 4.16Å; F133-K140 HydrophobicContact CZ-CG 4.5Å
134	G	98	Very high	97.4	Very high	5 Å²	5	47.1 Å²	47.1	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.6	168.8	0	0	0	0	0	109.9	S137 G138 K139	G134-S137 WeakPolarHBondContact CA-OG 3.25Å; G134-S137 PolarHBondContact O-OG 3.46Å; G134-G138 WeakPolarHBondContact O-CA 3.16Å; G134-G138 PolarHBondContact O-N 3.29Å; G134-K139 PolarHBondContact N-O 2.69Å
135	V	98	Very high	97.3	Very high	15 Å²	15	50.7 Å²	50.7	9%	0.091	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-44.4	-179.3	173.2	0	0	0	0	110.6	I78 L90 F114 S118 Q119 L121	I78-V135 HydrophobicContact CD1-CG1 3.71Å; L90-V135 HydrophobicContact CD1-CG1 4.06Å; F114-V135 HydrophobicContact CD1-CG2 3.98Å; F114-V135 HydrophobicContact CE1-CG1 4.34Å; F114-V135 HydrophobicContact CE1-CG2 3.68Å; S118-V135 WeakPolarHBondContact O-CG2 3.36Å; Q119-V135 WeakPolarHBondContact O-CB 3.42Å; Q119-V135 WeakPolarHBondContact O-CG2 3.15Å; Q119-V135 PolarHBondContact O-N 3.24Å; L121-V135 HydrophobicContact CB-CG2 4.29Å
136	E	96.9	Very high	97.2	Very high	178 Å²	178	51.4 Å²	51.4	83%	0.832	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-48.7	176.7	-174.7	177.7	-177.8	0	0	111.7	K100 G138	K100-E136 PolarHBondContact NZ-O 3.27Å; E136-G138 VanDerWaalsContact C-N 3.3Å; E136-G138 PolarHBondContact O-N 3.19Å
137	S	96.7	Very high	97	Very high	48 Å²	48	58.6 Å²	58.6	34%	0.336	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.9	-176.8	73.1	0	0	0	0	112	K100 G134 K139 E141	K100-S137 PolarHBondContact NZ-O 3.02Å; G134-S137 WeakPolarHBondContact CA-OG 3.25Å; G134-S137 PolarHBondContact O-OG 3.46Å; S137-K139 PolarHBondContact O-N 3.41Å; S137-K139 PolarHBondContact OG-N 2.91Å; S137-K139 VanDerWaalsContact OG-N 3.16Å; S137-E141 VanDerWaalsContact CB-OE1 3.32Å; S137-E141 WeakPolarHBondContact CB-OE1 3.49Å; S137-E141 PolarHBondContact OG-OE1 2.79Å
138	G	96.1	Very high	96.9	Very high	14 Å²	14	56.8 Å²	56.8	14%	0.144	28%	0.277	C	S	.	.			trans	66.3	21.6	-170.3	0	0	0	0	0	113.3	G134 E136	G134-G138 WeakPolarHBondContact O-CA 3.16Å; G134-G138 PolarHBondContact O-N 3.29Å; E136-G138 VanDerWaalsContact C-N 3.3Å; E136-G138 PolarHBondContact O-N 3.19Å
139	K	96.8	Very high	96.9	Very high	143 Å²	143	62.3 Å²	62.3	62%	0.622	30%	0.301	S	S	*	.	S	Bend	trans	-120.1	150.5	-175.9	-65.8	179.8	-178.4	177.4	0	110.2	F133 G134 S137 E141	F133-K139 CarbonylContact C-O 3.57Å; F133-K139 VanDerWaalsContact CA-O 3.24Å; F133-K139 WeakPolarHBondContact CA-O 3.4Å; G134-K139 PolarHBondContact N-O 2.69Å; S137-K139 PolarHBondContact O-N 3.41Å; S137-K139 PolarHBondContact OG-N 2.91Å; S137-K139 VanDerWaalsContact OG-N 3.16Å; K139-E141 PolarHBondContact O-N 2.8Å
140	K	97.4	Very high	96.9	Very high	110 Å²	110	60.5 Å²	60.5	48%	0.478	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	115.9	166.8	-174.7	172.3	67.1	-175.8	0	108.7	N131 F133	N131-K140 HydrophobicContact CB-CD 3.94Å; N131-K140 HydrophobicContact CB-CG 4.41Å; F133-K140 HydrophobicContact CD1-CB 3.9Å; F133-K140 HydrophobicContact CE1-CB 3.66Å; F133-K140 HydrophobicContact CE1-CG 4.44Å; F133-K140 HydrophobicContact CZ-CB 4.16Å; F133-K140 HydrophobicContact CZ-CG 4.5Å
141	E	97.1	Very high	96.9	Very high	100 Å²	100	60.5 Å²	60.5	47%	0.467	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-45.8	-179.3	-59.7	-62.9	161.6	0	0	110.3	Y120 I132 S137 K139	Y120-E141 HydrophobicContact CE1-CG 4.34Å; I132-E141 PolarHBondContact O-N 3.01Å; S137-E141 VanDerWaalsContact CB-OE1 3.32Å; S137-E141 WeakPolarHBondContact CB-OE1 3.49Å; S137-E141 PolarHBondContact OG-OE1 2.79Å; K139-E141 PolarHBondContact O-N 2.8Å
142	Y	96.8	Very high	96.9	Very high	82 Å²	82	61.1 Å²	61.1	32%	0.322	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	176.9	177.3	61.2	-84.9	0	0	0	111.6	I132 L144	I132-Y142 HydrophobicContact CB-CD1 4.16Å; I132-Y142 HydrophobicContact CB-CD2 4.18Å; I132-Y142 HydrophobicContact CB-CE1 3.87Å; I132-Y142 HydrophobicContact CB-CE2 3.91Å; I132-Y142 HydrophobicContact CB-CG 4.3Å; I132-Y142 HydrophobicContact CG1-CD2 3.86Å; I132-Y142 HydrophobicContact CG1-CE1 4.24Å; I132-Y142 HydrophobicContact CG1-CE2 3.37Å; I132-Y142 HydrophobicContact CG1-CG 4.48Å; I132-Y142 HydrophobicContact CG2-CD1 4.4Å; I132-Y142 HydrophobicContact CG2-CE1 3.72Å; I132-Y142 HydrophobicContact CG2-CE2 4.39Å; I132-Y142 PolarHBondContact N-O 2.9Å; I132-Y142 PolarHBondContact O-N 2.85Å; Y142-L144 HydrophobicContact CD2-CD2 4.39Å; Y142-L144 HydrophobicContact CE2-CD2 4.15Å; Y142-L144 HydrophobicContact CE2-CG 4.41Å
143	S	97.3	Very high	97	Very high	46 Å²	46	61.3 Å²	61.3	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.8	175.4	-55.1	0	0	0	0	110.2	V130 N131	V130-S143 CarbonylContact O-C 3.55Å; V130-S143 VanDerWaalsContact O-CA 3.27Å; V130-S143 WeakPolarHBondContact O-CA 3.41Å; N131-S143 PolarHBondContact OD1-OG 3.48Å
144	L	98	Very high	97	Very high	7 Å²	7	61.7 Å²	61.7	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.5	166.9	-53.6	171.6	0	0	0	108.1	K129 V130 Y142 L163 F175	K129-L144 CarbonylContact C-O 3.52Å; K129-L144 WeakPolarHBondContact CA-O 3.31Å; V130-L144 HydrophobicContact CB-CB 4.22Å; V130-L144 PolarHBondContact N-O 2.9Å; V130-L144 PolarHBondContact O-N 2.93Å; Y142-L144 HydrophobicContact CD2-CD2 4.39Å; Y142-L144 HydrophobicContact CE2-CD2 4.15Å; Y142-L144 HydrophobicContact CE2-CG 4.41Å; L144-L163 HydrophobicContact CD1-CB 4.47Å; L144-L163 HydrophobicContact CD1-CD1 4.4Å; L144-L163 HydrophobicContact CD1-CD2 4.22Å; L144-F175 HydrophobicContact CB-CD1 3.95Å; L144-F175 HydrophobicContact CB-CD2 4.47Å; L144-F175 HydrophobicContact CB-CE1 3.83Å; L144-F175 HydrophobicContact CB-CE2 4.36Å; L144-F175 HydrophobicContact CB-CG 4.28Å; L144-F175 HydrophobicContact CB-CZ 4.03Å; L144-F175 HydrophobicContact CD1-CB 3.91Å; L144-F175 HydrophobicContact CD1-CD1 4.22Å; L144-F175 HydrophobicContact CD1-CD2 4.15Å; L144-F175 HydrophobicContact CD1-CG 3.85Å; L144-F175 HydrophobicContact CD2-CD1 4.21Å; L144-F175 HydrophobicContact CG-CD1 4.36Å; L144-F175 HydrophobicContact CG-CG 4.47Å
145	D	96.8	Very high	97	Very high	75 Å²	75	62 Å²	62	40%	0.401	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.5	-175.4	-163.3	-26.4	0	0	0	110	K129 R147	K129-D145 VanDerWaalsContact CE-OD2 3.31Å; K129-D145 WeakPolarHBondContact CE-OD2 3.4Å; K129-D145 IonicContact NZ-OD2 3.97Å; D145-R147 VanDerWaalsContact C-N 3.27Å; D145-R147 WeakPolarHBondContact OD1-CA 3.46Å; D145-R147 PolarHBondContact OD1-N 2.86Å
146	T	95.8	Very high	97.1	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.086	30%	0.303	C	S	.	.			trans	-78.7	-15.4	175.2	67.5	0	0	0	0	112.1	G128 G148 I151 N173 F175	G128-T146 WeakPolarHBondContact O-CB 3.28Å; G128-T146 PolarHBondContact O-N 3.02Å; G128-T146 PolarHBondContact O-OG1 2.78Å; T146-G148 PolarHBondContact O-N 3.16Å; T146-G148 VanDerWaalsContact O-N 3.11Å; T146-G148 WeakPolarHBondContact OG1-CA 3.36Å; T146-G148 PolarHBondContact OG1-N 2.86Å; T146-I151 HydrophobicContact CG2-CD1 3.94Å; T146-N173 HydrophobicContact CG2-CB 4Å; T146-F175 HydrophobicContact CG2-CE2 3.78Å; T146-F175 HydrophobicContact CG2-CZ 3.63Å
147	R	92.4	Very high	97.1	Very high	233 Å²	233	54.1 Å²	54.1	88%	0.879	26%	0.263	S	S	*	.	S	Bend	trans	53.3	19.6	-164.2	-53.2	-179.1	179.9	177.2	0.5	113.5	D145	D145-R147 VanDerWaalsContact C-N 3.27Å; D145-R147 WeakPolarHBondContact OD1-CA 3.46Å; D145-R147 PolarHBondContact OD1-N 2.86Å
148	G	93.7	Very high	97.2	Very high	35 Å²	35	55 Å²	55	36%	0.361	27%	0.268	S	S	.	.	S	Bend	trans	-101.6	-152.3	-176.4	0	0	0	0	0	112.3	T146	T146-G148 PolarHBondContact O-N 3.16Å; T146-G148 VanDerWaalsContact O-N 3.11Å; T146-G148 WeakPolarHBondContact OG1-CA 3.36Å; T146-G148 PolarHBondContact OG1-N 2.86Å
149	K	96.6	Very high	97.3	Very high	117 Å²	117	57.2 Å²	57.2	51%	0.509	28%	0.276	S	S	.	.	S	Bend	trans	-106.7	-172.2	-178.8	-59.5	-175.2	-163.8	155.2	0	110.8	G128 I151 I168 D169	G128-K149 WeakPolarHBondContact CA-O 3.33Å; G128-K149 PolarHBondContact N-O 2.88Å; K149-I151 WeakPolarHBondContact O-CD1 3.38Å; K149-I151 PolarHBondContact O-N 2.77Å; K149-I151 VanDerWaalsContact O-N 3.12Å; K149-I168 HydrophobicContact CB-CG2 3.7Å; K149-I168 HydrophobicContact CD-CG2 4.3Å; K149-D169 HydrophobicContact CD-CB 4.06Å; K149-D169 WeakPolarHBondContact CD-OD2 3.26Å; K149-D169 WeakPolarHBondContact CE-OD2 3.48Å; K149-D169 WeakPolarHBondContact CG-OD2 3.16Å; K149-D169 IonicContact NZ-OD2 2.72Å; K149-D169 PolarHBondContact NZ-OD2 3.33Å
150	F	98.1	Very high	97.3	Very high	39 Å²	39	51.7 Å²	51.7	17%	0.171	26%	0.26	C	S	.	.			trans	-41.7	116.1	178.4	-161.6	159.8	0	0	0	112.7	V107 W110 T125 H126 L152 A167 I168	V107-F150 HydrophobicContact CG1-CE1 3.81Å; V107-F150 HydrophobicContact CG1-CE2 4.14Å; V107-F150 HydrophobicContact CG1-CZ 3.35Å; W110-F150 HydrophobicContact CB-CE2 3.57Å; W110-F150 HydrophobicContact CB-CZ 4.01Å; W110-F150 AromaticContact CD2-CE2 3.92Å; W110-F150 HydrophobicContact CD2-CE2 3.92Å; W110-F150 AromaticContact CD2-CZ 3.61Å; W110-F150 HydrophobicContact CD2-CZ 3.61Å; W110-F150 HydrophobicContact CE3-CE1 4.46Å; W110-F150 HydrophobicContact CE3-CE2 4.26Å; W110-F150 AromaticContact CE3-CZ 3.53Å; W110-F150 HydrophobicContact CE3-CZ 3.53Å; W110-F150 AromaticContact CG-CE2 3.61Å; W110-F150 HydrophobicContact CG-CE2 3.61Å; W110-F150 AromaticContact CG-CZ 3.83Å; W110-F150 HydrophobicContact CG-CZ 3.83Å; W110-F150 HydrophobicContact CZ3-CZ 4.22Å; T125-F150 WeakPolarHBondContact O-CA 3.37Å; H126-F150 VanDerWaalsContact CA-CD2 3.5Å; H126-F150 HydrophobicContact CB-CD1 3.97Å; H126-F150 HydrophobicContact CB-CD2 4.13Å; H126-F150 HydrophobicContact CB-CE1 4.09Å; H126-F150 HydrophobicContact CB-CE2 4.26Å; H126-F150 HydrophobicContact CB-CG 3.99Å; H126-F150 HydrophobicContact CB-CZ 4.24Å; H126-F150 WeakPolarHBondContact O-CA 3.26Å; H126-F150 PolarHBondContact O-N 3.09Å; F150-L152 HydrophobicContact CD1-CD2 4.44Å; F150-L152 HydrophobicContact CD2-CD2 3.98Å; F150-L152 HydrophobicContact CE1-CD2 4.49Å; F150-L152 HydrophobicContact CE2-CD2 4.04Å; F150-L152 HydrophobicContact CG-CD2 4.19Å; F150-L152 HydrophobicContact CZ-CD2 4.3Å; F150-A167 CarbonylContact O-C 3.45Å; F150-A167 VanDerWaalsContact O-CA 3.27Å; F150-A167 WeakPolarHBondContact O-CA 3.32Å; F150-I168 HydrophobicContact CB-CB 4.16Å; F150-I168 HydrophobicContact CB-CG2 3.87Å; F150-I168 PolarHBondContact O-N 3.24Å
151	I	98.4	Very high	97.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.3	170.4	-52.6	-52.9	0	0	0	110.1	T125 V130 T146 K149 S153 I154 A167	T125-I151 PolarHBondContact O-N 3.42Å; V130-I151 HydrophobicContact CG2-CG2 4.48Å; T146-I151 HydrophobicContact CG2-CD1 3.94Å; K149-I151 WeakPolarHBondContact O-CD1 3.38Å; K149-I151 PolarHBondContact O-N 2.77Å; K149-I151 VanDerWaalsContact O-N 3.12Å; I151-S153 WeakPolarHBondContact CG2-O 3.47Å; I151-I154 HydrophobicContact CG2-CG2 3.72Å; I151-A167 HydrophobicContact CD1-CB 4.21Å
152	L	98.5	Very high	97.4	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-25.7	-178.8	-64.5	176.5	0	0	0	112.8	F150 G166 I168 P192 I193	F150-L152 HydrophobicContact CD1-CD2 4.44Å; F150-L152 HydrophobicContact CD2-CD2 3.98Å; F150-L152 HydrophobicContact CE1-CD2 4.49Å; F150-L152 HydrophobicContact CE2-CD2 4.04Å; F150-L152 HydrophobicContact CG-CD2 4.19Å; F150-L152 HydrophobicContact CZ-CD2 4.3Å; L152-G166 PolarHBondContact N-O 2.93Å; L152-I168 HydrophobicContact CD1-CB 4.07Å; L152-I168 HydrophobicContact CD1-CG1 4.26Å; L152-I168 HydrophobicContact CG-CB 4.42Å; L152-P192 HydrophobicContact CD1-CB 3.64Å; L152-I193 WeakPolarHBondContact CB-O 3.38Å
153	S	98.7	Very high	97.5	Very high	5 Å²	5	45.9 Å²	45.9	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.2	-178.4	53.2	0	0	0	0	111.7	I151 S165 G166 I193	I151-S153 WeakPolarHBondContact CG2-O 3.47Å; S153-S165 CarbonylContact O-C 3.51Å; S153-S165 WeakPolarHBondContact O-CA 3.26Å; S153-G166 PolarHBondContact N-O 2.84Å; S153-G166 PolarHBondContact O-N 3.19Å; S153-I193 PolarHBondContact OG-O 3.26Å
154	I	98.7	Very high	97.6	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.8	174.9	60.8	-177.5	0	0	0	109.8	T111 A113 A122 V130 I151 A164	T111-I154 HydrophobicContact CG2-CB 4.28Å; T111-I154 HydrophobicContact CG2-CD1 3.92Å; T111-I154 HydrophobicContact CG2-CG1 3.68Å; T111-I154 HydrophobicContact CG2-CG2 3.96Å; A113-I154 HydrophobicContact CB-CD1 3.99Å; A113-I154 HydrophobicContact CB-CG1 3.94Å; A122-I154 HydrophobicContact CB-CD1 3.63Å; A122-I154 VanDerWaalsContact O-CD1 3.25Å; A122-I154 WeakPolarHBondContact O-CD1 3.49Å; V130-I154 HydrophobicContact CG1-CG2 4.32Å; V130-I154 HydrophobicContact CG2-CG2 4.12Å; I151-I154 HydrophobicContact CG2-CG2 3.72Å; I154-A164 CarbonylContact C-O 3.52Å; I154-A164 VanDerWaalsContact CA-O 3.22Å; I154-A164 WeakPolarHBondContact CA-O 3.46Å
155	A	98.7	Very high	97.6	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	143.9	165.9	0	0	0	0	0	110.6	L163 A164 L196 F198	A155-L163 CarbonylContact O-C 3.59Å; A155-L163 WeakPolarHBondContact O-CA 3.37Å; A155-A164 PolarHBondContact N-O 3.44Å; A155-A164 PolarHBondContact O-N 3.45Å; A155-L196 HydrophobicContact CB-CD1 3.38Å; A155-F198 HydrophobicContact CB-CD2 3.93Å; A155-F198 HydrophobicContact CB-CE2 4.29Å; A155-F198 WeakPolarHBondContact O-CE2 3.23Å
156	Y	98.7	Very high	97.7	Very high	27 Å²	27	39.8 Å²	39.8	11%	0.106	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142.4	162.5	-79.8	-83	0	0	0	109.8	A113 F114 A122 L163 I177 F198	A113-Y156 HydrophobicContact CB-CD2 4.05Å; A113-Y156 HydrophobicContact CB-CE2 4.45Å; F114-Y156 VanDerWaalsContact O-CD2 3.26Å; F114-Y156 WeakPolarHBondContact O-CD2 3.36Å; A122-Y156 HydrophobicContact CB-CE2 3.5Å; Y156-L163 HydrophobicContact CD1-CD1 4.34Å; Y156-L163 HydrophobicContact CD2-CD1 4.49Å; Y156-L163 HydrophobicContact CE1-CD1 3.85Å; Y156-L163 HydrophobicContact CE2-CD1 4.04Å; Y156-I177 HydrophobicContact CD1-CD1 3.37Å; Y156-I177 HydrophobicContact CE1-CD1 3.47Å; Y156-I177 VanDerWaalsContact CE1-CD1 3.47Å; Y156-I177 HydrophobicContact CE1-CG1 4.26Å; Y156-F198 WeakPolarHBondContact O-CD2 3.49Å
157	S	98.6	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.			trans	-69.7	140.8	163.6	64.5	0	0	0	0	109.7	P116 D159 G160 K161 Y162	P116-S157 WeakPolarHBondContact CG-O 3.46Å; S157-D159 WeakPolarHBondContact CB-OD1 3.47Å; S157-D159 PolarHBondContact O-N 2.8Å; S157-D159 VanDerWaalsContact O-N 3.16Å; S157-D159 PolarHBondContact OG-OD1 3.21Å; S157-G160 WeakPolarHBondContact O-CA 3.37Å; S157-G160 PolarHBondContact O-N 2.93Å; S157-K161 PolarHBondContact OG-N 3.45Å; S157-Y162 PolarHBondContact N-O 3.08Å; S157-Y162 PolarHBondContact OG-N 3.07Å; S157-Y162 PolarHBondContact OG-O 2.74Å
158	P	98	Very high	98.1	Very high	67 Å²	67	31.7 Å²	31.7	44%	0.435	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.5	177.9	-30.9	34.8	0	0	0	114.7	G160 S202	P158-G160 PolarHBondContact O-N 3.13Å; P158-S202 VanDerWaalsContact CD-OG 3.29Å; P158-S202 WeakPolarHBondContact CD-OG 3.29Å
159	D	97.8	Very high	98.3	Very high	61 Å²	61	32.5 Å²	32.5	33%	0.326	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-3.6	176	77.4	-10.6	0	0	0	114.5	S157 K161 S202	S157-D159 WeakPolarHBondContact CB-OD1 3.47Å; S157-D159 PolarHBondContact O-N 2.8Å; S157-D159 VanDerWaalsContact O-N 3.16Å; S157-D159 PolarHBondContact OG-OD1 3.21Å; D159-K161 PolarHBondContact O-N 3.17Å; D159-K161 WeakPolarHBondContact OD1-CB 3.36Å; D159-K161 PolarHBondContact OD1-N 3.38Å; D159-K161 VanDerWaalsContact OD2-CD 3.28Å; D159-K161 WeakPolarHBondContact OD2-CD 3.4Å; D159-K161 WeakPolarHBondContact OD2-CE 3.31Å; D159-K161 WeakPolarHBondContact OD2-CG 3.2Å; D159-K161 IonicContact OD2-NZ 3.76Å; D159-K161 PolarHBondContact OD2-NZ 3.08Å; D159-S202 PolarHBondContact N-OG 3.11Å
160	G	97.6	Very high	98.3	Very high	27 Å²	27	26.9 Å²	26.9	28%	0.278	14%	0.143	S	C	.	.	S	Bend	trans	71.7	9.1	177.5	0	0	0	0	0	115	S157 P158 I177	S157-G160 WeakPolarHBondContact O-CA 3.37Å; S157-G160 PolarHBondContact O-N 2.93Å; P158-G160 PolarHBondContact O-N 3.13Å; G160-I177 VanDerWaalsContact O-CD1 3.3Å; G160-I177 WeakPolarHBondContact O-CD1 3.43Å
161	K	97.9	Very high	98.4	Very high	114 Å²	114	26.7 Å²	26.7	50%	0.496	14%	0.143	S	C	.	.	S	Bend	trans	-83.5	-33	-179.2	-62.9	-169.9	-163.8	116.3	0	113.1	S157 D159 I177	S157-K161 PolarHBondContact OG-N 3.45Å; D159-K161 PolarHBondContact O-N 3.17Å; D159-K161 WeakPolarHBondContact OD1-CB 3.36Å; D159-K161 PolarHBondContact OD1-N 3.38Å; D159-K161 VanDerWaalsContact OD2-CD 3.28Å; D159-K161 WeakPolarHBondContact OD2-CD 3.4Å; D159-K161 WeakPolarHBondContact OD2-CE 3.31Å; D159-K161 WeakPolarHBondContact OD2-CG 3.2Å; D159-K161 IonicContact OD2-NZ 3.76Å; D159-K161 PolarHBondContact OD2-NZ 3.08Å; K161-I177 PolarHBondContact O-N 3.39Å
162	Y	98.3	Very high	98.4	Very high	54 Å²	54	26.7 Å²	26.7	21%	0.212	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.7	-169.8	-50.3	-66.6	0	0	0	113	S157 I174 F175 I177 L183 V219	S157-Y162 PolarHBondContact N-O 3.08Å; S157-Y162 PolarHBondContact OG-N 3.07Å; S157-Y162 PolarHBondContact OG-O 2.74Å; Y162-I174 HydrophobicContact CD1-CG2 4.21Å; Y162-I174 HydrophobicContact CG-CG2 4.37Å; Y162-F175 VanDerWaalsContact CA-O 3.23Å; Y162-F175 WeakPolarHBondContact CA-O 3.34Å; Y162-I177 VanDerWaalsContact O-CD1 3.26Å; Y162-I177 WeakPolarHBondContact O-CD1 3.48Å; Y162-L183 HydrophobicContact CD1-CD1 3.78Å; Y162-L183 HydrophobicContact CE1-CD1 3.55Å; Y162-V219 HydrophobicContact CD2-CG1 3.87Å; Y162-V219 HydrophobicContact CE2-CG1 3.97Å; Y162-V219 HydrophobicContact CG-CG1 4.33Å
163	L	98.7	Very high	98.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	163.2	-175.3	149.1	0	0	0	108.7	A122 V130 I132 L144 A155 Y156 I174 F175 I177	A122-L163 HydrophobicContact CB-CD1 3.76Å; V130-L163 HydrophobicContact CB-CD2 4.36Å; V130-L163 HydrophobicContact CG1-CD1 4Å; V130-L163 HydrophobicContact CG1-CD2 3.92Å; V130-L163 HydrophobicContact CG2-CD2 4.05Å; I132-L163 HydrophobicContact CD1-CD1 4.19Å; L144-L163 HydrophobicContact CD1-CB 4.47Å; L144-L163 HydrophobicContact CD1-CD1 4.4Å; L144-L163 HydrophobicContact CD1-CD2 4.22Å; A155-L163 CarbonylContact O-C 3.59Å; A155-L163 WeakPolarHBondContact O-CA 3.37Å; Y156-L163 HydrophobicContact CD1-CD1 4.34Å; Y156-L163 HydrophobicContact CD2-CD1 4.49Å; Y156-L163 HydrophobicContact CE1-CD1 3.85Å; Y156-L163 HydrophobicContact CE2-CD1 4.04Å; L163-I174 WeakPolarHBondContact O-CA 3.37Å; L163-F175 HydrophobicContact CD2-CD2 4.32Å; L163-F175 PolarHBondContact N-O 2.96Å; L163-F175 PolarHBondContact O-N 3.01Å; L163-I177 HydrophobicContact CB-CD1 4.2Å; L163-I177 HydrophobicContact CB-CG1 4.06Å
164	A	98.6	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146.1	172.4	0	0	0	0	0	110.7	I154 A155 N173 I174 L196 F198 L205	I154-A164 CarbonylContact C-O 3.52Å; I154-A164 VanDerWaalsContact CA-O 3.22Å; I154-A164 WeakPolarHBondContact CA-O 3.46Å; A155-A164 PolarHBondContact N-O 3.44Å; A155-A164 PolarHBondContact O-N 3.45Å; A164-N173 CarbonylContact C-O 3.52Å; A164-N173 VanDerWaalsContact CA-O 3.24Å; A164-N173 WeakPolarHBondContact CA-O 3.41Å; A164-I174 HydrophobicContact CB-CG1 4.49Å; A164-L196 HydrophobicContact CB-CD1 3.69Å; A164-L196 HydrophobicContact CB-CD2 4.24Å; A164-F198 HydrophobicContact CB-CE2 3.54Å; A164-F198 HydrophobicContact CB-CZ 3.65Å; A164-L205 HydrophobicContact CB-CD1 3.96Å; A164-L205 HydrophobicContact CB-CD2 3.99Å
165	S	98.6	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.8	171	71.1	0	0	0	0	111.4	S153 I172 N173 L196	S153-S165 CarbonylContact O-C 3.51Å; S153-S165 WeakPolarHBondContact O-CA 3.26Å; S165-I172 CarbonylContact O-C 3.56Å; S165-I172 VanDerWaalsContact O-CA 3.23Å; S165-I172 WeakPolarHBondContact O-CA 3.49Å; S165-N173 PolarHBondContact N-O 3.36Å; S165-N173 PolarHBondContact O-N 2.92Å; S165-L196 VanDerWaalsContact C-CD2 3.47Å
166	G	98.6	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.9	179.6	0	0	0	0	0	110.5	L152 S153 L196	L152-G166 PolarHBondContact N-O 2.93Å; S153-G166 PolarHBondContact N-O 2.84Å; S153-G166 PolarHBondContact O-N 3.19Å; G166-L196 VanDerWaalsContact N-CD2 3.3Å
167	A	98.5	Very high	98.2	Very high	2 Å²	2	27 Å²	27	2%	0.017	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	165	-171.5	0	0	0	0	0	113.8	F150 I151 D169 G170 I171 I193	F150-A167 CarbonylContact O-C 3.45Å; F150-A167 VanDerWaalsContact O-CA 3.27Å; F150-A167 WeakPolarHBondContact O-CA 3.32Å; I151-A167 HydrophobicContact CD1-CB 4.21Å; A167-D169 VanDerWaalsContact CB-OD1 3.28Å; A167-D169 WeakPolarHBondContact CB-OD1 3.38Å; A167-D169 PolarHBondContact O-N 3.27Å; A167-G170 PolarHBondContact O-N 3.29Å; A167-I171 HydrophobicContact CB-CB 4.46Å; A167-I171 WeakPolarHBondContact CB-O 3.31Å; A167-I171 PolarHBondContact N-O 3.18Å; A167-I193 PolarHBondContact O-N 3.28Å
168	I	98.3	Very high	98	Very high	75 Å²	75	31.5 Å²	31.5	39%	0.385	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.5	176.8	-164.8	169.2	0	0	0	113.8	K149 F150 L152 P192	K149-I168 HydrophobicContact CB-CG2 3.7Å; K149-I168 HydrophobicContact CD-CG2 4.3Å; F150-I168 HydrophobicContact CB-CB 4.16Å; F150-I168 HydrophobicContact CB-CG2 3.87Å; F150-I168 PolarHBondContact O-N 3.24Å; L152-I168 HydrophobicContact CD1-CB 4.07Å; L152-I168 HydrophobicContact CD1-CG1 4.26Å; L152-I168 HydrophobicContact CG-CB 4.42Å; I168-P192 HydrophobicContact CG1-CB 4.4Å; I168-P192 HydrophobicContact CG1-CG 3.94Å; I168-P192 WeakPolarHBondContact O-CA 3.39Å; I168-P192 WeakPolarHBondContact O-CD 3.4Å; I168-P192 VanDerWaalsContact O-CG 3.28Å; I168-P192 WeakPolarHBondContact O-CG 3.24Å
169	D	97.8	Very high	98	Very high	52 Å²	52	32.2 Å²	32.2	28%	0.278	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	14.3	178.4	55.7	0.1	0	0	0	113.9	K149 A167 I171	K149-D169 HydrophobicContact CD-CB 4.06Å; K149-D169 WeakPolarHBondContact CD-OD2 3.26Å; K149-D169 WeakPolarHBondContact CE-OD2 3.48Å; K149-D169 WeakPolarHBondContact CG-OD2 3.16Å; K149-D169 IonicContact NZ-OD2 2.72Å; K149-D169 PolarHBondContact NZ-OD2 3.33Å; A167-D169 VanDerWaalsContact CB-OD1 3.28Å; A167-D169 WeakPolarHBondContact CB-OD1 3.38Å; A167-D169 PolarHBondContact O-N 3.27Å; D169-I171 VanDerWaalsContact C-N 3.3Å; D169-I171 PolarHBondContact O-N 2.99Å; D169-I171 WeakPolarHBondContact OD1-CG1 3.17Å
170	G	98.2	Very high	97.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	80.7	9.8	175.1	0	0	0	0	0	114.6	A167 G188 H189 M191 I193	A167-G170 PolarHBondContact O-N 3.29Å; G170-G188 PolarHBondContact O-N 2.74Å; G170-H189 WeakPolarHBondContact CA-O 3.26Å; G170-H189 PolarHBondContact O-N 2.82Å; G170-M191 VanDerWaalsContact CA-O 3.28Å; G170-M191 WeakPolarHBondContact CA-O 3.45Å; G170-I193 WeakPolarHBondContact O-CD1 3.34Å
171	I	98.4	Very high	97.8	Very high	35 Å²	35	36.2 Å²	36.2	18%	0.179	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134	176.6	-56.8	-60.5	0	0	0	111.1	A167 D169 T185 E187 I193	A167-I171 HydrophobicContact CB-CB 4.46Å; A167-I171 WeakPolarHBondContact CB-O 3.31Å; A167-I171 PolarHBondContact N-O 3.18Å; D169-I171 VanDerWaalsContact C-N 3.3Å; D169-I171 PolarHBondContact O-N 2.99Å; D169-I171 WeakPolarHBondContact OD1-CG1 3.17Å; I171-T185 HydrophobicContact CG2-CG2 3.63Å; I171-E187 HydrophobicContact CD1-CB 4.22Å; I171-E187 HydrophobicContact CD1-CG 3.71Å; I171-I193 VanDerWaalsContact O-CD1 3.26Å; I171-I193 WeakPolarHBondContact O-CD1 3.41Å
172	I	98.6	Very high	97.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.2	170.9	-53.3	155.5	0	0	0	108.5	S165 T185 L186 I193 L205 T207 Y217	S165-I172 CarbonylContact O-C 3.56Å; S165-I172 VanDerWaalsContact O-CA 3.23Å; S165-I172 WeakPolarHBondContact O-CA 3.49Å; I172-T185 CarbonylContact O-C 3.57Å; I172-T185 WeakPolarHBondContact O-CA 3.21Å; I172-L186 HydrophobicContact CB-CB 4.09Å; I172-L186 HydrophobicContact CB-CD1 4.3Å; I172-L186 HydrophobicContact CB-CG 4.4Å; I172-L186 HydrophobicContact CD1-CB 4.36Å; I172-L186 HydrophobicContact CD1-CD1 4.32Å; I172-L186 HydrophobicContact CG2-CD1 4.28Å; I172-L186 PolarHBondContact N-O 2.94Å; I172-L186 PolarHBondContact O-N 3.07Å; I172-I193 HydrophobicContact CD1-CD1 4.37Å; I172-I193 HydrophobicContact CG1-CD1 3.42Å; I172-I193 VanDerWaalsContact CG1-CD1 3.42Å; I172-I193 HydrophobicContact CG1-CG1 4.5Å; I172-L205 HydrophobicContact CG2-CD2 3.83Å; I172-T207 HydrophobicContact CD1-CG2 3.65Å; I172-T207 HydrophobicContact CG1-CG2 4.3Å; I172-Y217 HydrophobicContact CD1-CD2 4.23Å; I172-Y217 HydrophobicContact CD1-CE2 3.53Å
173	N	98.3	Very high	97.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.7	170.5	-67.4	-79.8	0	0	0	110.1	T146 A164 S165 F175 L182 H184 T185	T146-N173 HydrophobicContact CG2-CB 4Å; A164-N173 CarbonylContact C-O 3.52Å; A164-N173 VanDerWaalsContact CA-O 3.24Å; A164-N173 WeakPolarHBondContact CA-O 3.41Å; S165-N173 PolarHBondContact N-O 3.36Å; S165-N173 PolarHBondContact O-N 2.92Å; N173-F175 HydrophobicContact CB-CD2 4.45Å; N173-F175 HydrophobicContact CB-CE2 3.75Å; N173-F175 HydrophobicContact CB-CZ 4.28Å; N173-L182 HydrophobicContact CB-CD1 3.63Å; N173-L182 WeakPolarHBondContact OD1-CD1 3.41Å; N173-H184 CarbonylContact C-O 3.58Å; N173-H184 WeakPolarHBondContact CA-O 3.45Å; N173-T185 PolarHBondContact OD1-OG1 3.49Å
174	I	98.2	Very high	97.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.3	175	-55.3	177.4	0	0	0	108.2	Y162 L163 A164 L183 H184 L186 L205	Y162-I174 HydrophobicContact CD1-CG2 4.21Å; Y162-I174 HydrophobicContact CG-CG2 4.37Å; L163-I174 WeakPolarHBondContact O-CA 3.37Å; A164-I174 HydrophobicContact CB-CG1 4.49Å; I174-L183 WeakPolarHBondContact O-CB 3.25Å; I174-L183 PolarHBondContact O-N 3.43Å; I174-H184 HydrophobicContact CB-CB 4.26Å; I174-H184 HydrophobicContact CD1-CB 4.48Å; I174-H184 PolarHBondContact N-O 2.91Å; I174-H184 PolarHBondContact O-N 2.98Å; I174-L186 HydrophobicContact CD1-CD1 4.28Å; I174-L205 HydrophobicContact CD1-CD2 4.31Å
175	F	98.5	Very high	97.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.5	179.4	-65.2	-92.7	0	0	0	111.1	L144 T146 Y162 L163 N173 K181 L182	L144-F175 HydrophobicContact CB-CD1 3.95Å; L144-F175 HydrophobicContact CB-CD2 4.47Å; L144-F175 HydrophobicContact CB-CE1 3.83Å; L144-F175 HydrophobicContact CB-CE2 4.36Å; L144-F175 HydrophobicContact CB-CG 4.28Å; L144-F175 HydrophobicContact CB-CZ 4.03Å; L144-F175 HydrophobicContact CD1-CB 3.91Å; L144-F175 HydrophobicContact CD1-CD1 4.22Å; L144-F175 HydrophobicContact CD1-CD2 4.15Å; L144-F175 HydrophobicContact CD1-CG 3.85Å; L144-F175 HydrophobicContact CD2-CD1 4.21Å; L144-F175 HydrophobicContact CG-CD1 4.36Å; L144-F175 HydrophobicContact CG-CG 4.47Å; T146-F175 HydrophobicContact CG2-CE2 3.78Å; T146-F175 HydrophobicContact CG2-CZ 3.63Å; Y162-F175 VanDerWaalsContact CA-O 3.23Å; Y162-F175 WeakPolarHBondContact CA-O 3.34Å; L163-F175 HydrophobicContact CD2-CD2 4.32Å; L163-F175 PolarHBondContact N-O 2.96Å; L163-F175 PolarHBondContact O-N 3.01Å; N173-F175 HydrophobicContact CB-CD2 4.45Å; N173-F175 HydrophobicContact CB-CE2 3.75Å; N173-F175 HydrophobicContact CB-CZ 4.28Å; F175-K181 CarbonylContact C-O 3.56Å; F175-K181 VanDerWaalsContact CA-O 3.3Å; F175-K181 WeakPolarHBondContact CA-O 3.44Å; F175-L182 HydrophobicContact CD1-CB 4.07Å; F175-L182 HydrophobicContact CD1-CD1 4.26Å; F175-L182 HydrophobicContact CE1-CB 3.83Å; F175-L182 HydrophobicContact CE1-CD1 3.93Å; F175-L182 HydrophobicContact CE1-CG 4.44Å; F175-L182 HydrophobicContact CE2-CD1 4.2Å; F175-L182 HydrophobicContact CZ-CD1 3.9Å
176	D	97.6	Very high	97.5	Very high	35 Å²	35	42.2 Å²	42.2	19%	0.187	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.8	161.5	179.2	-82.4	0	0	0	108.8	A178 T179 G180 K181 L183	D176-A178 PolarHBondContact OD1-N 2.83Å; D176-A178 VanDerWaalsContact OD1-N 3.16Å; D176-T179 WeakPolarHBondContact CB-OG1 3.27Å; D176-T179 VanDerWaalsContact CG-OG1 3.28Å; D176-T179 VanDerWaalsContact OD1-CB 3.31Å; D176-T179 WeakPolarHBondContact OD1-CB 3.27Å; D176-T179 WeakPolarHBondContact OD1-CG2 3.18Å; D176-T179 PolarHBondContact OD1-N 2.83Å; D176-T179 PolarHBondContact OD1-OG1 2.96Å; D176-G180 VanDerWaalsContact O-CA 3.24Å; D176-G180 WeakPolarHBondContact O-CA 3.19Å; D176-G180 PolarHBondContact O-N 2.85Å; D176-K181 PolarHBondContact N-O 2.71Å; D176-K181 PolarHBondContact O-N 3.02Å; D176-L183 HydrophobicContact CB-CD1 3.87Å; D176-L183 HydrophobicContact CB-CD2 3.98Å; D176-L183 HydrophobicContact CB-CG 3.87Å
177	I	96.5	Very high	97.4	Very high	36 Å²	36	50.7 Å²	50.7	19%	0.185	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-40.7	-175	-70.8	165.6	0	0	0	111.3	Y156 G160 K161 Y162 L163 T179	Y156-I177 HydrophobicContact CD1-CD1 3.37Å; Y156-I177 HydrophobicContact CE1-CD1 3.47Å; Y156-I177 VanDerWaalsContact CE1-CD1 3.47Å; Y156-I177 HydrophobicContact CE1-CG1 4.26Å; G160-I177 VanDerWaalsContact O-CD1 3.3Å; G160-I177 WeakPolarHBondContact O-CD1 3.43Å; K161-I177 PolarHBondContact O-N 3.39Å; Y162-I177 VanDerWaalsContact O-CD1 3.26Å; Y162-I177 WeakPolarHBondContact O-CD1 3.48Å; L163-I177 HydrophobicContact CB-CD1 4.2Å; L163-I177 HydrophobicContact CB-CG1 4.06Å; I177-T179 VanDerWaalsContact C-N 3.3Å; I177-T179 PolarHBondContact O-N 3.48Å
178	A	95.7	Very high	96.8	Very high	96 Å²	96	51 Å²	51	79%	0.793	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.5	-175	0	0	0	0	0	112.6	D176	D176-A178 PolarHBondContact OD1-N 2.83Å; D176-A178 VanDerWaalsContact OD1-N 3.16Å
179	T	96.6	Very high	96.7	Very high	82 Å²	82	48.2 Å²	48.2	50%	0.503	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-13.9	-177.8	65.1	0	0	0	0	113.4	D176 I177 K181	D176-T179 WeakPolarHBondContact CB-OG1 3.27Å; D176-T179 VanDerWaalsContact CG-OG1 3.28Å; D176-T179 VanDerWaalsContact OD1-CB 3.31Å; D176-T179 WeakPolarHBondContact OD1-CB 3.27Å; D176-T179 WeakPolarHBondContact OD1-CG2 3.18Å; D176-T179 PolarHBondContact OD1-N 2.83Å; D176-T179 PolarHBondContact OD1-OG1 2.96Å; I177-T179 VanDerWaalsContact C-N 3.3Å; I177-T179 PolarHBondContact O-N 3.48Å; T179-K181 PolarHBondContact O-N 2.76Å; T179-K181 PolarHBondContact OG1-N 2.92Å
180	G	95.6	Very high	96.8	Very high	33 Å²	33	50.2 Å²	50.2	34%	0.34	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	15.5	-173.9	0	0	0	0	0	114	D176	D176-G180 VanDerWaalsContact O-CA 3.24Å; D176-G180 WeakPolarHBondContact O-CA 3.19Å; D176-G180 PolarHBondContact O-N 2.85Å
181	K	96.8	Very high	96.8	Very high	139 Å²	139	53.8 Å²	53.8	60%	0.604	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	139.9	-175.5	-69.1	-178.4	179.9	178	0	111.4	F175 D176 T179 L183	F175-K181 CarbonylContact C-O 3.56Å; F175-K181 VanDerWaalsContact CA-O 3.3Å; F175-K181 WeakPolarHBondContact CA-O 3.44Å; D176-K181 PolarHBondContact N-O 2.71Å; D176-K181 PolarHBondContact O-N 3.02Å; T179-K181 PolarHBondContact O-N 2.76Å; T179-K181 PolarHBondContact OG1-N 2.92Å; K181-L183 PolarHBondContact O-N 3.34Å
182	L	97.6	Very high	96.8	Very high	72 Å²	72	53.2 Å²	53.2	38%	0.377	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	117.1	165.8	-179.3	62.3	0	0	0	109.2	N173 F175 H184	N173-L182 HydrophobicContact CB-CD1 3.63Å; N173-L182 WeakPolarHBondContact OD1-CD1 3.41Å; F175-L182 HydrophobicContact CD1-CB 4.07Å; F175-L182 HydrophobicContact CD1-CD1 4.26Å; F175-L182 HydrophobicContact CE1-CB 3.83Å; F175-L182 HydrophobicContact CE1-CD1 3.93Å; F175-L182 HydrophobicContact CE1-CG 4.44Å; F175-L182 HydrophobicContact CE2-CD1 4.2Å; F175-L182 HydrophobicContact CZ-CD1 3.9Å; L182-H184 WeakPolarHBondContact CD1-O 3.32Å
183	L	97.1	Very high	96.8	Very high	72 Å²	72	53.2 Å²	53.2	38%	0.377	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-48.1	177.7	-64.3	-178.6	0	0	0	111.4	Y162 I174 D176 K181	Y162-L183 HydrophobicContact CD1-CD1 3.78Å; Y162-L183 HydrophobicContact CE1-CD1 3.55Å; I174-L183 WeakPolarHBondContact O-CB 3.25Å; I174-L183 PolarHBondContact O-N 3.43Å; D176-L183 HydrophobicContact CB-CD1 3.87Å; D176-L183 HydrophobicContact CB-CD2 3.98Å; D176-L183 HydrophobicContact CB-CG 3.87Å; K181-L183 PolarHBondContact O-N 3.34Å
184	H	97	Very high	96.8	Very high	58 Å²	58	56 Å²	56	27%	0.269	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.3	-173.5	-56.7	-58.8	0	0	0	111.5	N173 I174 L182 L186 A222	N173-H184 CarbonylContact C-O 3.58Å; N173-H184 WeakPolarHBondContact CA-O 3.45Å; I174-H184 HydrophobicContact CB-CB 4.26Å; I174-H184 HydrophobicContact CD1-CB 4.48Å; I174-H184 PolarHBondContact N-O 2.91Å; I174-H184 PolarHBondContact O-N 2.98Å; L182-H184 WeakPolarHBondContact CD1-O 3.32Å; H184-L186 HydrophobicContact CB-CD2 4.3Å; H184-A222 HydrophobicContact CB-CB 3.97Å; H184-A222 VanDerWaalsContact CG-CB 3.42Å; H184-A222 WeakPolarHBondContact ND1-CB 3.18Å
185	T	97.1	Very high	96.9	Very high	77 Å²	77	56.3 Å²	56.3	47%	0.472	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.2	166.4	-60.7	0	0	0	0	107.1	I171 I172 N173	I171-T185 HydrophobicContact CG2-CG2 3.63Å; I172-T185 CarbonylContact O-C 3.57Å; I172-T185 WeakPolarHBondContact O-CA 3.21Å; N173-T185 PolarHBondContact OD1-OG1 3.49Å
186	L	97.3	Very high	96.9	Very high	16 Å²	16	56.6 Å²	56.6	8%	0.084	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.2	-177.5	-42.6	173.5	0	0	0	109.3	I172 I174 H184 G188 Y217 A222	I172-L186 HydrophobicContact CB-CB 4.09Å; I172-L186 HydrophobicContact CB-CD1 4.3Å; I172-L186 HydrophobicContact CB-CG 4.4Å; I172-L186 HydrophobicContact CD1-CB 4.36Å; I172-L186 HydrophobicContact CD1-CD1 4.32Å; I172-L186 HydrophobicContact CG2-CD1 4.28Å; I172-L186 PolarHBondContact N-O 2.94Å; I172-L186 PolarHBondContact O-N 3.07Å; I174-L186 HydrophobicContact CD1-CD1 4.28Å; H184-L186 HydrophobicContact CB-CD2 4.3Å; L186-G188 VanDerWaalsContact C-N 3.33Å; L186-G188 PolarHBondContact O-N 3.47Å; L186-G188 VanDerWaalsContact O-N 3.15Å; L186-Y217 HydrophobicContact CD1-CD1 3.76Å; L186-Y217 HydrophobicContact CD1-CD2 4.42Å; L186-Y217 HydrophobicContact CD1-CE1 4.1Å; L186-Y217 HydrophobicContact CD1-CG 3.94Å; L186-A222 HydrophobicContact CD2-CB 3.88Å; L186-A222 WeakPolarHBondContact CD2-O 3.26Å
187	E	95.5	Very high	96.9	Very high	178 Å²	178	56.3 Å²	56.3	83%	0.832	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	81.4	169.3	-57.8	-169.2	169.9	0	0	108.4	I171	I171-E187 HydrophobicContact CD1-CB 4.22Å; I171-E187 HydrophobicContact CD1-CG 3.71Å
188	G	85.4	Confident	97	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	32%	0.317	C	S	.	.			trans	-96.7	-47.2	-164	0	0	0	0	0	114.6	G170 L186 K215 Y217	G170-G188 PolarHBondContact O-N 2.74Å; L186-G188 VanDerWaalsContact C-N 3.33Å; L186-G188 PolarHBondContact O-N 3.47Å; L186-G188 VanDerWaalsContact O-N 3.15Å; G188-K215 VanDerWaalsContact O-CD 3.29Å; G188-K215 WeakPolarHBondContact O-CD 3.43Å; G188-K215 WeakPolarHBondContact O-CE 3.28Å; G188-K215 PolarHBondContact O-NZ 3.2Å; G188-Y217 WeakPolarHBondContact CA-OH 3.43Å
189	H	98.2	Very high	97.2	Very high	16 Å²	16	50.3 Å²	50.3	7%	0.074	28%	0.279	C	S	.	.			trans	-118.9	154	-170.6	-77.1	-82.7	0	0	0	111.4	G170 M191 I193 T207 S209 D211 Y213	G170-H189 WeakPolarHBondContact CA-O 3.26Å; G170-H189 PolarHBondContact O-N 2.82Å; H189-M191 VanDerWaalsContact C-N 3.32Å; H189-I193 HydrophobicContact CB-CG1 4.22Å; H189-T207 PolarHBondContact NE2-OG1 2.79Å; H189-S209 WeakPolarHBondContact ND1-CB 3.43Å; H189-D211 WeakPolarHBondContact CA-OD2 3.1Å; H189-D211 WeakPolarHBondContact CB-OD2 3.33Å; H189-D211 IonicContact CE1-OD1 3.88Å; H189-D211 IonicContact CE1-OD2 3.5Å; H189-D211 IonicContact CG-OD2 2.72Å; H189-D211 VanDerWaalsContact ND1-CG 3.29Å; H189-D211 IonicContact ND1-OD1 3.32Å; H189-D211 PolarHBondContact ND1-OD1 2.88Å; H189-D211 VanDerWaalsContact ND1-OD1 3.08Å; H189-D211 IonicContact ND1-OD2 3.43Å; H189-D211 PolarHBondContact ND1-OD2 2.72Å; H189-Y213 PolarHBondContact CE1-O 2.88Å
190	A	98.3	Very high	97.2	Very high	93 Å²	93	48.8 Å²	48.8	77%	0.769	27%	0.27	S	S	*	.	S	Bend	trans	-85	-11.1	177.7	0	0	0	0	0	112.9	D211	A190-D211 HydrophobicContact CB-CB 4.47Å; A190-D211 PolarHBondContact N-OD2 2.86Å; A190-D211 VanDerWaalsContact N-OD2 3.13Å
191	M	98.7	Very high	97.4	Very high	76 Å²	76	50.6 Å²	50.6	37%	0.374	27%	0.272	S	S	.	.	S	Bend	trans	-141.4	172.1	-170.9	-66.6	-164.8	68	0	0	109.8	G170 H189 S209 D210 D211	G170-M191 VanDerWaalsContact CA-O 3.28Å; G170-M191 WeakPolarHBondContact CA-O 3.45Å; H189-M191 VanDerWaalsContact C-N 3.32Å; M191-S209 PolarHBondContact O-OG 2.82Å; M191-S209 VanDerWaalsContact O-OG 3.07Å; M191-D210 HydrophobicContact CB-CB 3.91Å; M191-D210 HydrophobicContact CE-CB 3.99Å; M191-D211 HydrophobicContact CB-CB 3.9Å; M191-D211 HydrophobicContact CG-CB 3.97Å; M191-D211 HydrophobicContact SD-CB 4.34Å
192	P	98.6	Very high	97.4	Very high	23 Å²	23	44.1 Å²	44.1	15%	0.149	24%	0.244	C	C	.	.			trans	-48.1	141.5	-178.3	-31	33.4	0	0	0	114.9	L152 I168 S209 D210	L152-P192 HydrophobicContact CD1-CB 3.64Å; I168-P192 HydrophobicContact CG1-CB 4.4Å; I168-P192 HydrophobicContact CG1-CG 3.94Å; I168-P192 WeakPolarHBondContact O-CA 3.39Å; I168-P192 WeakPolarHBondContact O-CD 3.4Å; I168-P192 VanDerWaalsContact O-CG 3.28Å; I168-P192 WeakPolarHBondContact O-CG 3.24Å; P192-S209 WeakPolarHBondContact O-CA 3.46Å; P192-S209 VanDerWaalsContact O-CB 3.27Å; P192-S209 WeakPolarHBondContact O-CB 3.39Å; P192-S209 PolarHBondContact O-OG 2.94Å; P192-D210 PolarHBondContact O-N 3.14Å; P192-D210 VanDerWaalsContact O-N 3.07Å
193	I	98.7	Very high	97.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	98.6	173.6	-61	150.2	0	0	0	109.1	L152 S153 A167 G170 I171 I172 H189 S195 L196 A208	L152-I193 WeakPolarHBondContact CB-O 3.38Å; S153-I193 PolarHBondContact OG-O 3.26Å; A167-I193 PolarHBondContact O-N 3.28Å; G170-I193 WeakPolarHBondContact O-CD1 3.34Å; I171-I193 VanDerWaalsContact O-CD1 3.26Å; I171-I193 WeakPolarHBondContact O-CD1 3.41Å; I172-I193 HydrophobicContact CD1-CD1 4.37Å; I172-I193 HydrophobicContact CG1-CD1 3.42Å; I172-I193 VanDerWaalsContact CG1-CD1 3.42Å; I172-I193 HydrophobicContact CG1-CG1 4.5Å; H189-I193 HydrophobicContact CB-CG1 4.22Å; I193-S195 VanDerWaalsContact C-N 3.35Å; I193-L196 HydrophobicContact CG2-CD2 4.43Å; I193-A208 CarbonylContact C-O 3.58Å; I193-A208 WeakPolarHBondContact CA-O 3.31Å
194	R	98.7	Very high	97.5	Very high	61 Å²	61	42.9 Å²	42.9	23%	0.23	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-33.5	-176.4	-70	-83.8	179.7	-157.3	-7.1	112.8	A208 D210 V235 L236	R194-A208 PolarHBondContact N-O 3.43Å; R194-D210 WeakPolarHBondContact CG-OD1 3.31Å; R194-D210 IonicContact CZ-OD1 3.09Å; R194-D210 IonicContact CZ-OD2 3.3Å; R194-D210 IonicContact NE-OD1 3.83Å; R194-D210 PolarHBondContact NE-OD1 3.17Å; R194-D210 IonicContact NE-OD2 3.09Å; R194-D210 PolarHBondContact NE-OD2 3.36Å; R194-D210 IonicContact NH2-OD1 3.68Å; R194-D210 PolarHBondContact NH2-OD1 2.76Å; R194-D210 IonicContact NH2-OD2 4Å; R194-D210 PolarHBondContact NH2-OD2 3.2Å; R194-V235 WeakPolarHBondContact CB-O 3.41Å; R194-L236 WeakPolarHBondContact CB-O 3.01Å; R194-L236 HydrophobicContact CG-CD2 4.08Å
195	S	98.8	Very high	97.6	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	151	-175.5	-174.8	0	0	0	0	111	I193 A208 N237 V238	I193-S195 VanDerWaalsContact C-N 3.35Å; S195-A208 PolarHBondContact N-O 2.69Å; S195-A208 PolarHBondContact O-N 3.29Å; S195-N237 PolarHBondContact OG-ND2 3.15Å; S195-V238 PolarHBondContact OG-N 3Å
196	L	98.8	Very high	97.7	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.6	171.6	58.2	81.1	0	0	0	109.8	A155 A164 S165 G166 I193 L205 V206 T207	A155-L196 HydrophobicContact CB-CD1 3.38Å; A164-L196 HydrophobicContact CB-CD1 3.69Å; A164-L196 HydrophobicContact CB-CD2 4.24Å; S165-L196 VanDerWaalsContact C-CD2 3.47Å; G166-L196 VanDerWaalsContact N-CD2 3.3Å; I193-L196 HydrophobicContact CG2-CD2 4.43Å; L196-L205 HydrophobicContact CB-CD1 4.29Å; L196-L205 HydrophobicContact CD1-CD1 4.14Å; L196-V206 CarbonylContact C-O 3.57Å; L196-V206 WeakPolarHBondContact CA-O 3.41Å; L196-T207 HydrophobicContact CB-CG2 3.82Å
197	T	98.8	Very high	97.7	Very high	28 Å²	28	35.7 Å²	35.7	17%	0.172	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.9	-178.7	-173.7	0	0	0	0	110.2	L205 V206 V238 F240	T197-L205 WeakPolarHBondContact O-CD1 3.2Å; T197-V206 HydrophobicContact CG2-CB 4.07Å; T197-V206 PolarHBondContact N-O 3.35Å; T197-V206 PolarHBondContact O-N 2.72Å; T197-V238 HydrophobicContact CG2-CB 4.08Å; T197-V238 HydrophobicContact CG2-CG2 3.87Å; T197-F240 HydrophobicContact CG2-CD2 3.98Å
198	F	98.8	Very high	97.9	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	149.5	172.2	-75.8	-87.6	0	0	0	110.5	A155 Y156 A164 L204 L205 V219 F240	A155-F198 HydrophobicContact CB-CD2 3.93Å; A155-F198 HydrophobicContact CB-CE2 4.29Å; A155-F198 WeakPolarHBondContact O-CE2 3.23Å; Y156-F198 WeakPolarHBondContact O-CD2 3.49Å; A164-F198 HydrophobicContact CB-CE2 3.54Å; A164-F198 HydrophobicContact CB-CZ 3.65Å; F198-L204 CarbonylContact C-O 3.48Å; F198-L204 VanDerWaalsContact CA-O 3.31Å; F198-L204 WeakPolarHBondContact CA-O 3.35Å; F198-L205 HydrophobicContact CD1-CD1 4.21Å; F198-L205 HydrophobicContact CD2-CD1 4.08Å; F198-L205 HydrophobicContact CE1-CD1 4.22Å; F198-L205 HydrophobicContact CE2-CD1 4.09Å; F198-L205 HydrophobicContact CG-CD1 4.15Å; F198-L205 HydrophobicContact CZ-CD1 4.16Å; F198-V219 HydrophobicContact CD1-CG2 3.81Å; F198-V219 HydrophobicContact CE1-CB 4.48Å; F198-V219 HydrophobicContact CE1-CG1 3.99Å; F198-V219 HydrophobicContact CE1-CG2 3.6Å; F198-F240 WeakPolarHBondContact O-CD2 3.27Å
199	S	98.5	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.			trans	-62.8	151.6	165.2	55	0	0	0	0	111.3	D201 S202 Q203 L204 F240 D244	S199-D201 WeakPolarHBondContact CB-OD1 3.49Å; S199-D201 PolarHBondContact O-N 2.74Å; S199-D201 PolarHBondContact OG-OD1 3.34Å; S199-S202 WeakPolarHBondContact O-CA 3.17Å; S199-S202 PolarHBondContact O-N 3.43Å; S199-Q203 PolarHBondContact OG-N 3.14Å; S199-L204 PolarHBondContact N-O 2.78Å; S199-L204 PolarHBondContact OG-N 3.42Å; S199-L204 PolarHBondContact OG-O 2.67Å; S199-F240 VanDerWaalsContact CA-CD2 3.41Å; S199-F240 VanDerWaalsContact CA-CE2 3.48Å; S199-D244 WeakPolarHBondContact CB-OD1 3.38Å
200	P	98.1	Very high	98.6	Very high	49 Å²	49	26.4 Å²	26.4	32%	0.318	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39.5	172.3	-31	32.2	0	0	0	114.4	S202 C241 D244	P200-S202 PolarHBondContact O-N 3.4Å; P200-C241 VanDerWaalsContact CG-O 3.25Å; P200-C241 WeakPolarHBondContact CG-O 3.25Å; P200-D244 HydrophobicContact CB-CB 4.27Å; P200-D244 WeakPolarHBondContact CD-OD1 3.3Å; P200-D244 HydrophobicContact CG-CB 4.18Å
201	D	98	Very high	98.6	Very high	71 Å²	71	23.4 Å²	23.4	38%	0.38	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	0.3	176.3	73.8	-3.9	0	0	0	114.9	S199 Q203 D244	S199-D201 WeakPolarHBondContact CB-OD1 3.49Å; S199-D201 PolarHBondContact O-N 2.74Å; S199-D201 PolarHBondContact OG-OD1 3.34Å; D201-Q203 HydrophobicContact CB-CG 4.27Å; D201-Q203 VanDerWaalsContact CG-CG 3.5Å; D201-Q203 PolarHBondContact O-N 3.32Å; D201-Q203 PolarHBondContact O-NE2 3.41Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.44Å; D201-Q203 PolarHBondContact OD1-N 3.09Å; D201-Q203 VanDerWaalsContact OD2-CG 3.24Å; D201-Q203 WeakPolarHBondContact OD2-CG 3.29Å; D201-D244 VanDerWaalsContact CB-OD2 3.31Å; D201-D244 WeakPolarHBondContact CB-OD2 3.46Å; D201-D244 VanDerWaalsContact CG-OD2 3.27Å; D201-D244 PolarHBondContact N-OD1 2.9Å
202	S	98.1	Very high	98.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	61	12.2	-177.3	-51.3	0	0	0	0	115.3	P158 D159 S199 P200	P158-S202 VanDerWaalsContact CD-OG 3.29Å; P158-S202 WeakPolarHBondContact CD-OG 3.29Å; D159-S202 PolarHBondContact N-OG 3.11Å; S199-S202 WeakPolarHBondContact O-CA 3.17Å; S199-S202 PolarHBondContact O-N 3.43Å; P200-S202 PolarHBondContact O-N 3.4Å
203	Q	98	Very high	98.6	Very high	79 Å²	79	24.3 Å²	24.3	37%	0.369	12%	0.123	S	C	.	.	S	Bend	trans	-87.1	-26	-177.7	-58.6	-49.4	-61.2	0	0	113.4	S199 D201 V219	S199-Q203 PolarHBondContact OG-N 3.14Å; D201-Q203 HydrophobicContact CB-CG 4.27Å; D201-Q203 VanDerWaalsContact CG-CG 3.5Å; D201-Q203 PolarHBondContact O-N 3.32Å; D201-Q203 PolarHBondContact O-NE2 3.41Å; D201-Q203 WeakPolarHBondContact OD1-CB 3.44Å; D201-Q203 PolarHBondContact OD1-N 3.09Å; D201-Q203 VanDerWaalsContact OD2-CG 3.24Å; D201-Q203 WeakPolarHBondContact OD2-CG 3.29Å; Q203-V219 WeakPolarHBondContact O-CB 2.96Å; Q203-V219 WeakPolarHBondContact O-CG2 3.3Å; Q203-V219 PolarHBondContact O-N 3.02Å
204	L	98.4	Very high	98.6	Very high	39 Å²	39	24.4 Å²	24.4	20%	0.204	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.5	-178.3	-58	177.3	0	0	0	111.6	F198 S199 I216 Y217 F240 V261	F198-L204 CarbonylContact C-O 3.48Å; F198-L204 VanDerWaalsContact CA-O 3.31Å; F198-L204 WeakPolarHBondContact CA-O 3.35Å; S199-L204 PolarHBondContact N-O 2.78Å; S199-L204 PolarHBondContact OG-N 3.42Å; S199-L204 PolarHBondContact OG-O 2.67Å; L204-I216 HydrophobicContact CB-CG2 4.24Å; L204-I216 HydrophobicContact CD1-CG2 4.2Å; L204-I216 HydrophobicContact CD2-CG2 4.18Å; L204-I216 HydrophobicContact CG-CG2 4.45Å; L204-Y217 CarbonylContact C-O 3.58Å; L204-Y217 VanDerWaalsContact CA-O 3.26Å; L204-Y217 WeakPolarHBondContact CA-O 3.31Å; L204-F240 HydrophobicContact CB-CZ 4.47Å; L204-F240 HydrophobicContact CD1-CZ 4.5Å; L204-V261 HydrophobicContact CD1-CG1 3.61Å
205	L	98.6	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.5	167.7	-177.6	67.6	0	0	0	108.8	A164 I172 I174 L196 T197 F198 T207 I216 Y217 V219	A164-L205 HydrophobicContact CB-CD1 3.96Å; A164-L205 HydrophobicContact CB-CD2 3.99Å; I172-L205 HydrophobicContact CG2-CD2 3.83Å; I174-L205 HydrophobicContact CD1-CD2 4.31Å; L196-L205 HydrophobicContact CB-CD1 4.29Å; L196-L205 HydrophobicContact CD1-CD1 4.14Å; T197-L205 WeakPolarHBondContact O-CD1 3.2Å; F198-L205 HydrophobicContact CD1-CD1 4.21Å; F198-L205 HydrophobicContact CD2-CD1 4.08Å; F198-L205 HydrophobicContact CE1-CD1 4.22Å; F198-L205 HydrophobicContact CE2-CD1 4.09Å; F198-L205 HydrophobicContact CG-CD1 4.15Å; F198-L205 HydrophobicContact CZ-CD1 4.16Å; L205-T207 HydrophobicContact CD2-CG2 4.13Å; L205-T207 HydrophobicContact CG-CG2 4.04Å; L205-I216 CarbonylContact O-C 3.6Å; L205-I216 WeakPolarHBondContact O-CA 3.38Å; L205-Y217 PolarHBondContact N-O 3.26Å; L205-Y217 PolarHBondContact O-N 3.47Å; L205-V219 HydrophobicContact CB-CG2 4.05Å
206	V	98.7	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.4	173	174.1	0	0	0	0	108.6	L196 T197 I214 K215 I216 V238 F240 F247	L196-V206 CarbonylContact C-O 3.57Å; L196-V206 WeakPolarHBondContact CA-O 3.41Å; T197-V206 HydrophobicContact CG2-CB 4.07Å; T197-V206 PolarHBondContact N-O 3.35Å; T197-V206 PolarHBondContact O-N 2.72Å; V206-I214 HydrophobicContact CG1-CG2 3.65Å; V206-K215 CarbonylContact C-O 3.6Å; V206-K215 WeakPolarHBondContact CA-O 3.33Å; V206-I216 HydrophobicContact CG2-CG1 4.17Å; V206-I216 HydrophobicContact CG2-CG2 4.4Å; V206-V238 HydrophobicContact CG1-CB 4.05Å; V206-V238 HydrophobicContact CG1-CG1 3.87Å; V206-V238 HydrophobicContact CG1-CG2 4.19Å; V206-F240 HydrophobicContact CB-CE2 4.14Å; V206-F240 HydrophobicContact CG2-CD2 4.07Å; V206-F240 HydrophobicContact CG2-CE2 3.31Å; V206-F240 HydrophobicContact CG2-CZ 3.89Å; V206-F247 HydrophobicContact CG1-CD2 4.04Å; V206-F247 HydrophobicContact CG1-CE2 4.02Å; V206-F247 HydrophobicContact CG1-CG 4.45Å; V206-F247 HydrophobicContact CG1-CZ 4.4Å; V206-F247 HydrophobicContact CG2-CD1 4.38Å
207	T	98.9	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.8	179.9	63.2	0	0	0	0	111.4	I172 H189 L196 L205 I214 K215 Y217	I172-T207 HydrophobicContact CD1-CG2 3.65Å; I172-T207 HydrophobicContact CG1-CG2 4.3Å; H189-T207 PolarHBondContact NE2-OG1 2.79Å; L196-T207 HydrophobicContact CB-CG2 3.82Å; L205-T207 HydrophobicContact CD2-CG2 4.13Å; L205-T207 HydrophobicContact CG-CG2 4.04Å; T207-I214 CarbonylContact O-C 3.48Å; T207-I214 WeakPolarHBondContact O-CA 3.38Å; T207-K215 PolarHBondContact N-O 3.41Å; T207-K215 PolarHBondContact O-N 2.82Å; T207-K215 PolarHBondContact OG1-O 2.91Å; T207-Y217 HydrophobicContact CG2-CD2 4.34Å; T207-Y217 HydrophobicContact CG2-CE2 4.18Å
208	A	98.8	Very high	98.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.9	-179.9	0	0	0	0	0	110.9	I193 R194 S195 V235 V238	I193-A208 CarbonylContact C-O 3.58Å; I193-A208 WeakPolarHBondContact CA-O 3.31Å; R194-A208 PolarHBondContact N-O 3.43Å; S195-A208 PolarHBondContact N-O 2.69Å; S195-A208 PolarHBondContact O-N 3.29Å; A208-V235 HydrophobicContact CB-CB 3.84Å; A208-V235 HydrophobicContact CB-CG1 3.53Å; A208-V238 HydrophobicContact CB-CB 4.47Å; A208-V238 HydrophobicContact CB-CG1 3.76Å; A208-V238 HydrophobicContact CB-CG2 4.04Å
209	S	98.9	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.8	-171.1	177.9	0	0	0	0	113.9	H189 M191 P192 D211 G212 Y213 V235	H189-S209 WeakPolarHBondContact ND1-CB 3.43Å; M191-S209 PolarHBondContact O-OG 2.82Å; M191-S209 VanDerWaalsContact O-OG 3.07Å; P192-S209 WeakPolarHBondContact O-CA 3.46Å; P192-S209 VanDerWaalsContact O-CB 3.27Å; P192-S209 WeakPolarHBondContact O-CB 3.39Å; P192-S209 PolarHBondContact O-OG 2.94Å; S209-D211 VanDerWaalsContact CB-OD1 3.27Å; S209-D211 WeakPolarHBondContact CB-OD1 3.44Å; S209-D211 PolarHBondContact O-N 3.19Å; S209-D211 PolarHBondContact OG-N 2.53Å; S209-D211 VanDerWaalsContact OG-N 3.17Å; S209-D211 PolarHBondContact OG-OD1 3.39Å; S209-G212 PolarHBondContact O-N 2.84Å; S209-G212 VanDerWaalsContact O-N 3.11Å; S209-Y213 PolarHBondContact N-O 3.2Å; S209-V235 PolarHBondContact N-O 2.7Å; S209-V235 PolarHBondContact O-N 3.39Å
210	D	98.8	Very high	98.1	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-9.7	168.2	-70.4	-4.8	0	0	0	113.3	M191 P192 R194 G212 W234	M191-D210 HydrophobicContact CB-CB 3.91Å; M191-D210 HydrophobicContact CE-CB 3.99Å; P192-D210 PolarHBondContact O-N 3.14Å; P192-D210 VanDerWaalsContact O-N 3.07Å; R194-D210 WeakPolarHBondContact CG-OD1 3.31Å; R194-D210 IonicContact CZ-OD1 3.09Å; R194-D210 IonicContact CZ-OD2 3.3Å; R194-D210 IonicContact NE-OD1 3.83Å; R194-D210 PolarHBondContact NE-OD1 3.17Å; R194-D210 IonicContact NE-OD2 3.09Å; R194-D210 PolarHBondContact NE-OD2 3.36Å; R194-D210 IonicContact NH2-OD1 3.68Å; R194-D210 PolarHBondContact NH2-OD1 2.76Å; R194-D210 IonicContact NH2-OD2 4Å; R194-D210 PolarHBondContact NH2-OD2 3.2Å; D210-G212 PolarHBondContact O-N 3.49Å; D210-W234 HydrophobicContact CB-CB 4.37Å; D210-W234 HydrophobicContact CB-CD2 4.16Å; D210-W234 HydrophobicContact CB-CG 3.87Å; D210-W234 PolarHBondContact O-NE1 2.9Å
211	D	98.5	Very high	97.9	Very high	29 Å²	29	32.7 Å²	32.7	16%	0.155	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-1.7	170.5	64.4	17.4	0	0	0	113.1	H189 A190 M191 S209 Y213	H189-D211 WeakPolarHBondContact CA-OD2 3.1Å; H189-D211 WeakPolarHBondContact CB-OD2 3.33Å; H189-D211 IonicContact CE1-OD1 3.88Å; H189-D211 IonicContact CE1-OD2 3.5Å; H189-D211 IonicContact CG-OD2 2.72Å; H189-D211 VanDerWaalsContact ND1-CG 3.29Å; H189-D211 IonicContact ND1-OD1 3.32Å; H189-D211 PolarHBondContact ND1-OD1 2.88Å; H189-D211 VanDerWaalsContact ND1-OD1 3.08Å; H189-D211 IonicContact ND1-OD2 3.43Å; H189-D211 PolarHBondContact ND1-OD2 2.72Å; A190-D211 HydrophobicContact CB-CB 4.47Å; A190-D211 PolarHBondContact N-OD2 2.86Å; A190-D211 VanDerWaalsContact N-OD2 3.13Å; M191-D211 HydrophobicContact CB-CB 3.9Å; M191-D211 HydrophobicContact CG-CB 3.97Å; M191-D211 HydrophobicContact SD-CB 4.34Å; S209-D211 VanDerWaalsContact CB-OD1 3.27Å; S209-D211 WeakPolarHBondContact CB-OD1 3.44Å; S209-D211 PolarHBondContact O-N 3.19Å; S209-D211 PolarHBondContact OG-N 2.53Å; S209-D211 VanDerWaalsContact OG-N 3.17Å; S209-D211 PolarHBondContact OG-OD1 3.39Å; D211-Y213 VanDerWaalsContact C-N 3.29Å; D211-Y213 HydrophobicContact CB-CD2 4.11Å; D211-Y213 WeakPolarHBondContact O-CD2 3.29Å; D211-Y213 VanDerWaalsContact O-CE2 3.31Å; D211-Y213 WeakPolarHBondContact O-CE2 3.04Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.12Å; D211-Y213 WeakPolarHBondContact OD1-CD2 3.25Å; D211-Y213 PolarHBondContact OD1-N 2.87Å
212	G	98.4	Very high	97.8	Very high	13 Å²	13	30.4 Å²	30.4	13%	0.134	15%	0.149	C	C	.	.	S	Bend	trans	82.1	4.9	178.4	0	0	0	0	0	113.9	S209 D210 S233	S209-G212 PolarHBondContact O-N 2.84Å; S209-G212 VanDerWaalsContact O-N 3.11Å; D210-G212 PolarHBondContact O-N 3.49Å; G212-S233 WeakPolarHBondContact CA-O 3.1Å
213	Y	98.7	Very high	97.7	Very high	106 Å²	106	34.3 Å²	34.3	42%	0.416	17%	0.17	S	C	.	.			trans	-106.9	152.4	-179.9	-61.2	-80.6	0	0	0	112.5	H189 S209 D211 T227	H189-Y213 PolarHBondContact CE1-O 2.88Å; S209-Y213 PolarHBondContact N-O 3.2Å; D211-Y213 VanDerWaalsContact C-N 3.29Å; D211-Y213 HydrophobicContact CB-CD2 4.11Å; D211-Y213 WeakPolarHBondContact O-CD2 3.29Å; D211-Y213 VanDerWaalsContact O-CE2 3.31Å; D211-Y213 WeakPolarHBondContact O-CE2 3.04Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.12Å; D211-Y213 WeakPolarHBondContact OD1-CD2 3.25Å; D211-Y213 PolarHBondContact OD1-N 2.87Å; Y213-T227 HydrophobicContact CD1-CG2 3.73Å; Y213-T227 HydrophobicContact CG-CG2 4.09Å
214	I	98.9	Very high	97.7	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.5	162.2	-65.9	148.5	0	0	0	107.6	V206 T207 T227 L228 V235 V238 F247 W259	V206-I214 HydrophobicContact CG1-CG2 3.65Å; T207-I214 CarbonylContact O-C 3.48Å; T207-I214 WeakPolarHBondContact O-CA 3.38Å; I214-T227 CarbonylContact O-C 3.52Å; I214-T227 WeakPolarHBondContact O-CA 3.42Å; I214-L228 HydrophobicContact CB-CB 4.15Å; I214-L228 PolarHBondContact N-O 2.95Å; I214-L228 PolarHBondContact O-N 2.95Å; I214-V235 HydrophobicContact CD1-CG1 4.09Å; I214-V235 HydrophobicContact CG1-CB 4.43Å; I214-V235 HydrophobicContact CG1-CG1 3.84Å; I214-V235 HydrophobicContact CG1-CG2 4.23Å; I214-V238 HydrophobicContact CG1-CG1 4.43Å; I214-F247 HydrophobicContact CD1-CE2 4.17Å; I214-F247 HydrophobicContact CG2-CE2 3.87Å; I214-F247 HydrophobicContact CG2-CZ 3.87Å; I214-W259 HydrophobicContact CD1-CH2 4.44Å; I214-W259 HydrophobicContact CD1-CZ2 3.66Å
215	K	98.7	Very high	97.6	Very high	36 Å²	36	34.1 Å²	34.1	16%	0.157	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.4	175	-67.8	-174.8	-178.9	-142.8	0	110.8	G188 V206 T207 Y217 L224 G226 T227	G188-K215 VanDerWaalsContact O-CD 3.29Å; G188-K215 WeakPolarHBondContact O-CD 3.43Å; G188-K215 WeakPolarHBondContact O-CE 3.28Å; G188-K215 PolarHBondContact O-NZ 3.2Å; V206-K215 CarbonylContact C-O 3.6Å; V206-K215 WeakPolarHBondContact CA-O 3.33Å; T207-K215 PolarHBondContact N-O 3.41Å; T207-K215 PolarHBondContact O-N 2.82Å; T207-K215 PolarHBondContact OG1-O 2.91Å; K215-Y217 HydrophobicContact CB-CD2 4.44Å; K215-Y217 HydrophobicContact CB-CE2 3.59Å; K215-Y217 VanDerWaalsContact CD-OH 3.25Å; K215-Y217 WeakPolarHBondContact CD-OH 3.37Å; K215-L224 HydrophobicContact CB-CD1 3.8Å; K215-L224 HydrophobicContact CD-CD1 3.95Å; K215-L224 HydrophobicContact CG-CD1 4.04Å; K215-G226 WeakPolarHBondContact CA-O 3.35Å; K215-T227 HydrophobicContact CG-CG2 4.15Å
216	I	98.5	Very high	97.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	178	-48.3	-175.6	0	0	0	107.2	L204 L205 V206 A225 G226 L228 F247	L204-I216 HydrophobicContact CB-CG2 4.24Å; L204-I216 HydrophobicContact CD1-CG2 4.2Å; L204-I216 HydrophobicContact CD2-CG2 4.18Å; L204-I216 HydrophobicContact CG-CG2 4.45Å; L205-I216 CarbonylContact O-C 3.6Å; L205-I216 WeakPolarHBondContact O-CA 3.38Å; V206-I216 HydrophobicContact CG2-CG1 4.17Å; V206-I216 HydrophobicContact CG2-CG2 4.4Å; I216-A225 HydrophobicContact CB-CB 4.48Å; I216-A225 HydrophobicContact CG2-CB 4.36Å; I216-A225 WeakPolarHBondContact O-CA 3.34Å; I216-A225 WeakPolarHBondContact O-CB 3.38Å; I216-A225 PolarHBondContact O-N 3.26Å; I216-G226 PolarHBondContact N-O 2.8Å; I216-G226 PolarHBondContact O-N 2.94Å; I216-G226 VanDerWaalsContact O-N 3.14Å; I216-L228 HydrophobicContact CD1-CD1 3.83Å; I216-L228 HydrophobicContact CD1-CD2 4.32Å; I216-L228 HydrophobicContact CG1-CD1 4.05Å; I216-F247 HydrophobicContact CD1-CE1 4.2Å
217	Y	98.5	Very high	97.5	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.3	176.8	-59.8	-91.8	0	0	0	110.1	I172 L186 G188 L204 L205 T207 K215 N223 L224	I172-Y217 HydrophobicContact CD1-CD2 4.23Å; I172-Y217 HydrophobicContact CD1-CE2 3.53Å; L186-Y217 HydrophobicContact CD1-CD1 3.76Å; L186-Y217 HydrophobicContact CD1-CD2 4.42Å; L186-Y217 HydrophobicContact CD1-CE1 4.1Å; L186-Y217 HydrophobicContact CD1-CG 3.94Å; G188-Y217 WeakPolarHBondContact CA-OH 3.43Å; L204-Y217 CarbonylContact C-O 3.58Å; L204-Y217 VanDerWaalsContact CA-O 3.26Å; L204-Y217 WeakPolarHBondContact CA-O 3.31Å; L205-Y217 PolarHBondContact N-O 3.26Å; L205-Y217 PolarHBondContact O-N 3.47Å; T207-Y217 HydrophobicContact CG2-CD2 4.34Å; T207-Y217 HydrophobicContact CG2-CE2 4.18Å; K215-Y217 HydrophobicContact CB-CD2 4.44Å; K215-Y217 HydrophobicContact CB-CE2 3.59Å; K215-Y217 VanDerWaalsContact CD-OH 3.25Å; K215-Y217 WeakPolarHBondContact CD-OH 3.37Å; Y217-N223 VanDerWaalsContact CA-O 3.31Å; Y217-N223 WeakPolarHBondContact CA-O 3.28Å; Y217-L224 HydrophobicContact CD1-CB 4.18Å; Y217-L224 HydrophobicContact CD1-CD1 4.15Å; Y217-L224 HydrophobicContact CE1-CB 3.96Å; Y217-L224 HydrophobicContact CE1-CD1 3.66Å; Y217-L224 HydrophobicContact CE1-CG 4.42Å; Y217-L224 HydrophobicContact CE2-CD1 4.33Å
218	D	97.6	Very high	97.5	Very high	37 Å²	37	38 Å²	38	20%	0.198	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	127.3	161.2	169.5	-73.7	0	0	0	108.5	Q220 H221 A222 N223	D218-Q220 PolarHBondContact OD1-N 2.94Å; D218-Q220 VanDerWaalsContact OD1-N 3.12Å; D218-H221 WeakPolarHBondContact OD1-CB 3.47Å; D218-H221 IonicContact OD1-CE1 2.86Å; D218-H221 IonicContact OD1-CG 3.92Å; D218-H221 PolarHBondContact OD1-N 3.26Å; D218-H221 IonicContact OD1-ND1 3.02Å; D218-H221 PolarHBondContact OD1-ND1 2.86Å; D218-H221 IonicContact OD2-ND1 3.93Å; D218-A222 WeakPolarHBondContact O-CA 3.49Å; D218-A222 PolarHBondContact O-N 3.07Å; D218-N223 WeakPolarHBondContact CB-OD1 3.27Å; D218-N223 PolarHBondContact N-O 2.79Å
219	V	97.1	Very high	97.4	Very high	5 Å²	5	42 Å²	42	3%	0.03	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-37.7	-172.8	174.2	0	0	0	0	111.1	Y162 F198 Q203 L205	Y162-V219 HydrophobicContact CD2-CG1 3.87Å; Y162-V219 HydrophobicContact CE2-CG1 3.97Å; Y162-V219 HydrophobicContact CG-CG1 4.33Å; F198-V219 HydrophobicContact CD1-CG2 3.81Å; F198-V219 HydrophobicContact CE1-CB 4.48Å; F198-V219 HydrophobicContact CE1-CG1 3.99Å; F198-V219 HydrophobicContact CE1-CG2 3.6Å; Q203-V219 WeakPolarHBondContact O-CB 2.96Å; Q203-V219 WeakPolarHBondContact O-CG2 3.3Å; Q203-V219 PolarHBondContact O-N 3.02Å; L205-V219 HydrophobicContact CB-CG2 4.05Å
220	Q	93.1	Very high	97.4	Very high	123 Å²	123	44.2 Å²	44.2	58%	0.575	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-41.1	-174.6	-178.6	176.5	19.5	0	0	112.5	D218	D218-Q220 PolarHBondContact OD1-N 2.94Å; D218-Q220 VanDerWaalsContact OD1-N 3.12Å
221	H	93.7	Very high	97.3	Very high	120 Å²	120	44.7 Å²	44.7	56%	0.556	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-4	-174	-53.3	92.9	0	0	0	112.7	D218 N223	D218-H221 WeakPolarHBondContact OD1-CB 3.47Å; D218-H221 IonicContact OD1-CE1 2.86Å; D218-H221 IonicContact OD1-CG 3.92Å; D218-H221 PolarHBondContact OD1-N 3.26Å; D218-H221 IonicContact OD1-ND1 3.02Å; D218-H221 PolarHBondContact OD1-ND1 2.86Å; D218-H221 IonicContact OD2-ND1 3.93Å; H221-N223 WeakPolarHBondContact CB-OD1 3.49Å; H221-N223 PolarHBondContact O-N 2.87Å
222	A	94.7	Very high	97.3	Very high	24 Å²	24	48 Å²	48	20%	0.198	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	32	174.3	0	0	0	0	0	113.3	H184 L186 D218	H184-A222 HydrophobicContact CB-CB 3.97Å; H184-A222 VanDerWaalsContact CG-CB 3.42Å; H184-A222 WeakPolarHBondContact ND1-CB 3.18Å; L186-A222 HydrophobicContact CD2-CB 3.88Å; L186-A222 WeakPolarHBondContact CD2-O 3.26Å; D218-A222 WeakPolarHBondContact O-CA 3.49Å; D218-A222 PolarHBondContact O-N 3.07Å
223	N	95.5	Very high	97.4	Very high	84 Å²	84	49.4 Å²	49.4	45%	0.449	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.8	-178.5	64.3	-34.8	0	0	0	112	Y217 D218 H221 A225	Y217-N223 VanDerWaalsContact CA-O 3.31Å; Y217-N223 WeakPolarHBondContact CA-O 3.28Å; D218-N223 WeakPolarHBondContact CB-OD1 3.27Å; D218-N223 PolarHBondContact N-O 2.79Å; H221-N223 WeakPolarHBondContact CB-OD1 3.49Å; H221-N223 PolarHBondContact O-N 2.87Å; N223-A225 PolarHBondContact O-N 3.49Å
224	L	98	Very high	97.4	Very high	81 Å²	81	49.2 Å²	49.2	42%	0.424	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	110.3	176.1	-178.6	67.3	0	0	0	109.6	K215 Y217 G226	K215-L224 HydrophobicContact CB-CD1 3.8Å; K215-L224 HydrophobicContact CD-CD1 3.95Å; K215-L224 HydrophobicContact CG-CD1 4.04Å; Y217-L224 HydrophobicContact CD1-CB 4.18Å; Y217-L224 HydrophobicContact CD1-CD1 4.15Å; Y217-L224 HydrophobicContact CE1-CB 3.96Å; Y217-L224 HydrophobicContact CE1-CD1 3.66Å; Y217-L224 HydrophobicContact CE1-CG 4.42Å; Y217-L224 HydrophobicContact CE2-CD1 4.33Å; L224-G226 VanDerWaalsContact CD1-O 3.31Å; L224-G226 WeakPolarHBondContact CD1-O 2.99Å
225	A	97	Very high	97.4	Very high	33 Å²	33	49.1 Å²	49.1	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-41.1	175.1	0	0	0	0	0	110.9	I216 N223 R264	I216-A225 HydrophobicContact CB-CB 4.48Å; I216-A225 HydrophobicContact CG2-CB 4.36Å; I216-A225 WeakPolarHBondContact O-CA 3.34Å; I216-A225 WeakPolarHBondContact O-CB 3.38Å; I216-A225 PolarHBondContact O-N 3.26Å; N223-A225 PolarHBondContact O-N 3.49Å; A225-R264 PolarHBondContact O-NH1 2.95Å; A225-R264 PolarHBondContact O-NH2 3.45Å
226	G	97.1	Very high	97.4	Very high	6 Å²	6	47.6 Å²	47.6	6%	0.062	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	159.2	-178.4	0	0	0	0	0	114.3	K215 I216 L224	K215-G226 WeakPolarHBondContact CA-O 3.35Å; I216-G226 PolarHBondContact N-O 2.8Å; I216-G226 PolarHBondContact O-N 2.94Å; I216-G226 VanDerWaalsContact O-N 3.14Å; L224-G226 VanDerWaalsContact CD1-O 3.31Å; L224-G226 WeakPolarHBondContact CD1-O 2.99Å
227	T	98.1	Very high	97.4	Very high	69 Å²	69	48.7 Å²	48.7	42%	0.423	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.8	171.1	-60.9	0	0	0	0	108.2	Y213 I214 K215	Y213-T227 HydrophobicContact CD1-CG2 3.73Å; Y213-T227 HydrophobicContact CG-CG2 4.09Å; I214-T227 CarbonylContact O-C 3.52Å; I214-T227 WeakPolarHBondContact O-CA 3.42Å; K215-T227 HydrophobicContact CG-CG2 4.15Å
228	L	98.6	Very high	97.4	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.1	-176.1	-75.3	66.5	0	0	0	108.1	I214 I216 F247 W259 R264	I214-L228 HydrophobicContact CB-CB 4.15Å; I214-L228 PolarHBondContact N-O 2.95Å; I214-L228 PolarHBondContact O-N 2.95Å; I216-L228 HydrophobicContact CD1-CD1 3.83Å; I216-L228 HydrophobicContact CD1-CD2 4.32Å; I216-L228 HydrophobicContact CG1-CD1 4.05Å; L228-F247 HydrophobicContact CD2-CE1 4.05Å; L228-F247 HydrophobicContact CD2-CZ 3.69Å; L228-W259 HydrophobicContact CB-CE3 4.45Å; L228-W259 HydrophobicContact CB-CZ3 4.16Å; L228-W259 HydrophobicContact CD2-CD2 4.22Å; L228-W259 HydrophobicContact CD2-CE3 3.71Å; L228-W259 HydrophobicContact CD2-CZ3 4.24Å; L228-W259 HydrophobicContact CG-CE3 4.48Å; L228-R264 HydrophobicContact CD1-CB 4.02Å; L228-R264 HydrophobicContact CD1-CG 4.38Å; L228-R264 HydrophobicContact CD2-CB 4.36Å; L228-R264 HydrophobicContact CG-CB 4.17Å
229	S	97.8	Very high	97.5	Very high	85 Å²	85	46.8 Å²	46.8	59%	0.594	28%	0.281	S	S	*	.			trans	-121.3	158.9	175.4	63.3	0	0	0	0	108.9	W259	S229-W259 WeakPolarHBondContact O-CH2 3.21Å
230	G	97.4	Very high	97.5	Very high	47 Å²	47	47.4 Å²	47.4	49%	0.485	28%	0.284	S	S	.	.			trans	148.1	-17.4	177.1	0	0	0	0	0	114.4	K257	G230-K257 VanDerWaalsContact O-CE 3.27Å; G230-K257 WeakPolarHBondContact O-CE 3.43Å
231	H	98.6	Very high	97.7	Very high	18 Å²	18	41.7 Å²	41.7	8%	0.083	26%	0.257	C	S	.	.			trans	-77.1	143.9	162.8	-80.3	-62.6	0	0	0	110.4	V235 S249 S251 D253 S255	H231-V235 HydrophobicContact CB-CG2 3.97Å; H231-S249 PolarHBondContact NE2-OG 3.2Å; H231-S251 WeakPolarHBondContact CE1-CB 3.23Å; H231-S251 WeakPolarHBondContact ND1-CB 3.35Å; H231-D253 WeakPolarHBondContact CA-OD2 3.24Å; H231-D253 WeakPolarHBondContact CB-OD2 3.36Å; H231-D253 IonicContact CE1-OD1 2.74Å; H231-D253 IonicContact CG-OD2 3.29Å; H231-D253 IonicContact ND1-OD1 3.89Å; H231-D253 PolarHBondContact ND1-OD1 3.37Å; H231-D253 IonicContact ND1-OD2 3.35Å; H231-D253 PolarHBondContact ND1-OD2 3.19Å; H231-S255 PolarHBondContact CE1-OG 2.87Å; H231-S255 PolarHBondContact ND1-OG 2.88Å
232	A	98.5	Very high	97.9	Very high	98 Å²	98	39 Å²	39	81%	0.81	25%	0.25	S	S	*	.	S	Bend	trans	-91.4	-3.4	-179.2	0	0	0	0	0	113	D253	A232-D253 HydrophobicContact CB-CB 4.04Å; A232-D253 PolarHBondContact N-OD2 3.16Å
233	S	98.7	Very high	97.9	Very high	44 Å²	44	40.4 Å²	40.4	31%	0.308	25%	0.254	S	S	.	.	S	Bend	trans	-151.1	-167.7	-180	-163.9	0	0	0	0	109.7	G212 S252	G212-S233 WeakPolarHBondContact CA-O 3.1Å; S233-S252 WeakPolarHBondContact OG-CB 3.44Å
234	W	98.8	Very high	97.9	Very high	102 Å²	102	39 Å²	39	39%	0.386	25%	0.247	S	C	.	.			trans	-53.1	135.7	-179.3	-56.7	-14.5	0	0	0	112.3	D210 L236 S251 S252	D210-W234 HydrophobicContact CB-CB 4.37Å; D210-W234 HydrophobicContact CB-CD2 4.16Å; D210-W234 HydrophobicContact CB-CG 3.87Å; D210-W234 PolarHBondContact O-NE1 2.9Å; W234-L236 HydrophobicContact CB-CD2 4.09Å; W234-S251 VanDerWaalsContact O-CA 3.23Å; W234-S251 WeakPolarHBondContact O-CA 3.39Å; W234-S251 VanDerWaalsContact O-CB 3.23Å; W234-S251 WeakPolarHBondContact O-CB 3.24Å; W234-S251 PolarHBondContact O-OG 2.9Å; W234-S252 PolarHBondContact O-N 2.93Å
235	V	98.9	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.8	172.4	-167	0	0	0	0	107.6	R194 A208 S209 I214 H231	R194-V235 WeakPolarHBondContact CB-O 3.41Å; A208-V235 HydrophobicContact CB-CB 3.84Å; A208-V235 HydrophobicContact CB-CG1 3.53Å; S209-V235 PolarHBondContact N-O 2.7Å; S209-V235 PolarHBondContact O-N 3.39Å; I214-V235 HydrophobicContact CD1-CG1 4.09Å; I214-V235 HydrophobicContact CG1-CB 4.43Å; I214-V235 HydrophobicContact CG1-CG1 3.84Å; I214-V235 HydrophobicContact CG1-CG2 4.23Å; H231-V235 HydrophobicContact CB-CG2 3.97Å
236	L	98.9	Very high	97.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-31.8	-167.3	-62.2	178.9	0	0	0	112.6	R194 W234 S250 S252 Q276 W278	R194-L236 WeakPolarHBondContact CB-O 3.01Å; R194-L236 HydrophobicContact CG-CD2 4.08Å; W234-L236 HydrophobicContact CB-CD2 4.09Å; L236-S250 PolarHBondContact N-O 3.21Å; L236-S252 WeakPolarHBondContact CD1-OG 3.44Å; L236-Q276 HydrophobicContact CD1-CB 4.31Å; L236-W278 HydrophobicContact CB-CE3 4.46Å; L236-W278 HydrophobicContact CD1-CD2 4.01Å; L236-W278 HydrophobicContact CD1-CE3 3.95Å; L236-W278 HydrophobicContact CD1-CG 4.45Å; L236-W278 HydrophobicContact CD1-CZ3 4.31Å; L236-W278 HydrophobicContact CD2-CE3 4.28Å; L236-W278 HydrophobicContact CD2-CH2 4.45Å; L236-W278 HydrophobicContact CD2-CZ3 3.96Å; L236-W278 HydrophobicContact CG-CE3 4.47Å
237	N	98.9	Very high	98	Very high	27 Å²	27	37.6 Å²	37.6	14%	0.144	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150	-179.3	-149.2	-106.9	0	0	0	112.7	S195 S249 S250 W278 V280 K281	S195-N237 PolarHBondContact OG-ND2 3.15Å; N237-S249 CarbonylContact O-C 3.57Å; N237-S249 WeakPolarHBondContact O-CA 3.49Å; N237-S249 WeakPolarHBondContact O-CB 3.39Å; N237-S250 VanDerWaalsContact CB-OG 3.31Å; N237-S250 WeakPolarHBondContact CB-OG 3.29Å; N237-S250 PolarHBondContact N-O 2.99Å; N237-S250 PolarHBondContact O-N 3.02Å; N237-W278 WeakPolarHBondContact CB-O 3.48Å; N237-V280 HydrophobicContact CB-CG1 4.14Å; N237-V280 PolarHBondContact OD1-N 2.73Å; N237-V280 PolarHBondContact OD1-O 3.12Å; N237-V280 VanDerWaalsContact OD1-O 3.04Å; N237-K281 PolarHBondContact OD1-NZ 2.84Å
238	V	98.9	Very high	98	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145	169.9	-79.8	0	0	0	0	110.3	S195 T197 V206 A208 I214 F247 V248	S195-V238 PolarHBondContact OG-N 3Å; T197-V238 HydrophobicContact CG2-CB 4.08Å; T197-V238 HydrophobicContact CG2-CG2 3.87Å; V206-V238 HydrophobicContact CG1-CB 4.05Å; V206-V238 HydrophobicContact CG1-CG1 3.87Å; V206-V238 HydrophobicContact CG1-CG2 4.19Å; A208-V238 HydrophobicContact CB-CB 4.47Å; A208-V238 HydrophobicContact CB-CG1 3.76Å; A208-V238 HydrophobicContact CB-CG2 4.04Å; I214-V238 HydrophobicContact CG1-CG1 4.43Å; V238-F247 HydrophobicContact CG1-CD2 4.37Å; V238-F247 HydrophobicContact CG1-CE2 4.43Å; V238-V248 VanDerWaalsContact CA-O 3.29Å; V238-V248 WeakPolarHBondContact CA-O 3.4Å
239	A	98.7	Very high	98.1	Very high	5 Å²	5	34 Å²	34	4%	0.041	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	129.4	171.8	0	0	0	0	0	110.2	F247 V248 K281	A239-F247 WeakPolarHBondContact O-CA 3.33Å; A239-F247 WeakPolarHBondContact O-CB 3.26Å; A239-V248 HydrophobicContact CB-CG1 3.99Å; A239-V248 PolarHBondContact N-O 2.82Å; A239-V248 PolarHBondContact O-N 2.81Å; A239-K281 HydrophobicContact CB-CD 4.12Å
240	F	98.3	Very high	98.1	Very high	19 Å²	19	30 Å²	30	8%	0.083	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142.8	174.4	-114.2	-74.3	0	0	0	111.4	T197 F198 S199 L204 V206 H246 F247 V261 Y282	T197-F240 HydrophobicContact CG2-CD2 3.98Å; F198-F240 WeakPolarHBondContact O-CD2 3.27Å; S199-F240 VanDerWaalsContact CA-CD2 3.41Å; S199-F240 VanDerWaalsContact CA-CE2 3.48Å; L204-F240 HydrophobicContact CB-CZ 4.47Å; L204-F240 HydrophobicContact CD1-CZ 4.5Å; V206-F240 HydrophobicContact CB-CE2 4.14Å; V206-F240 HydrophobicContact CG2-CD2 4.07Å; V206-F240 HydrophobicContact CG2-CE2 3.31Å; V206-F240 HydrophobicContact CG2-CZ 3.89Å; F240-H246 VanDerWaalsContact CD1-O 3.26Å; F240-H246 WeakPolarHBondContact CD1-O 3.31Å; F240-F247 HydrophobicContact CD1-CB 4.2Å; F240-F247 HydrophobicContact CG-CB 4.24Å; F240-V261 HydrophobicContact CE1-CG2 3.67Å; F240-V261 HydrophobicContact CZ-CG2 3.89Å; F240-Y282 WeakPolarHBondContact O-CD2 3.34Å
241	C	97.9	Very high	98.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	16%	0.163	C	C	.	.			trans	-74.4	142.5	167	-175.1	0	0	0	0	109.5	P200 D243 D244 H246 Y282 I305	P200-C241 VanDerWaalsContact CG-O 3.25Å; P200-C241 WeakPolarHBondContact CG-O 3.25Å; C241-D243 WeakPolarHBondContact CB-OD1 3.4Å; C241-D243 PolarHBondContact O-N 2.85Å; C241-D243 VanDerWaalsContact O-N 3.08Å; C241-D243 PolarHBondContact SG-N 2.73Å; C241-D243 PolarHBondContact SG-OD1 2.9Å; C241-D243 PolarHBondContact SG-OD2 2.83Å; C241-D243 VanDerWaalsContact SG-OD2 3.41Å; C241-D244 PolarHBondContact O-N 3.37Å; C241-H246 HydrophobicContact CB-CB 3.96Å; C241-H246 WeakPolarHBondContact CB-O 3.35Å; C241-H246 PolarHBondContact N-O 2.89Å; C241-Y282 HydrophobicContact CB-CD1 4.43Å; C241-Y282 HydrophobicContact CB-CD2 3.97Å; C241-Y282 HydrophobicContact CB-CE1 4.19Å; C241-Y282 HydrophobicContact CB-CE2 3.68Å; C241-Y282 HydrophobicContact CB-CG 4.33Å; C241-I305 HydrophobicContact CB-CD1 4.33Å; C241-I305 WeakPolarHBondContact SG-CD1 3.31Å
242	P	96.3	Very high	98.2	Very high	65 Å²	65	27.6 Å²	27.6	42%	0.422	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.5	170.8	-26	35.4	0	0	0	115.2	D244	P242-D244 PolarHBondContact O-N 2.76Å
243	D	95.9	Very high	98.2	Very high	53 Å²	53	24.8 Å²	24.8	28%	0.283	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.9	177	73.6	11.4	0	0	0	114.2	C241 T245 H246	C241-D243 WeakPolarHBondContact CB-OD1 3.4Å; C241-D243 PolarHBondContact O-N 2.85Å; C241-D243 VanDerWaalsContact O-N 3.08Å; C241-D243 PolarHBondContact SG-N 2.73Å; C241-D243 PolarHBondContact SG-OD1 2.9Å; C241-D243 PolarHBondContact SG-OD2 2.83Å; C241-D243 VanDerWaalsContact SG-OD2 3.41Å; D243-T245 PolarHBondContact O-N 3.23Å; D243-T245 VanDerWaalsContact O-N 3.09Å; D243-T245 WeakPolarHBondContact OD1-CA 3.41Å; D243-T245 PolarHBondContact OD1-N 3.33Å; D243-T245 PolarHBondContact OD1-OG1 2.85Å; D243-T245 PolarHBondContact OD2-OG1 2.9Å; D243-H246 PolarHBondContact OD1-N 3.28Å; D243-H246 IonicContact OD1-ND1 3.13Å; D243-H246 IonicContact OD2-CE1 3.5Å; D243-H246 IonicContact OD2-CG 3.39Å; D243-H246 IonicContact OD2-ND1 3.01Å; D243-H246 PolarHBondContact OD2-ND1 3.47Å
244	D	95.7	Very high	98.2	Very high	53 Å²	53	27 Å²	27	28%	0.283	14%	0.139	S	C	.	.	S	Bend	trans	64.9	3.9	-179.8	-148.6	33.6	0	0	0	115.1	S199 P200 D201 C241 P242	S199-D244 WeakPolarHBondContact CB-OD1 3.38Å; P200-D244 HydrophobicContact CB-CB 4.27Å; P200-D244 WeakPolarHBondContact CD-OD1 3.3Å; P200-D244 HydrophobicContact CG-CB 4.18Å; D201-D244 VanDerWaalsContact CB-OD2 3.31Å; D201-D244 WeakPolarHBondContact CB-OD2 3.46Å; D201-D244 VanDerWaalsContact CG-OD2 3.27Å; D201-D244 PolarHBondContact N-OD1 2.9Å; C241-D244 PolarHBondContact O-N 3.37Å; P242-D244 PolarHBondContact O-N 2.76Å
245	T	96.9	Very high	98.2	Very high	69 Å²	69	22.2 Å²	22.2	42%	0.423	12%	0.121	S	C	.	.	S	Bend	trans	-112.8	-21.2	-177.3	60.1	0	0	0	0	113.2	D243 V261	D243-T245 PolarHBondContact O-N 3.23Å; D243-T245 VanDerWaalsContact O-N 3.09Å; D243-T245 WeakPolarHBondContact OD1-CA 3.41Å; D243-T245 PolarHBondContact OD1-N 3.33Å; D243-T245 PolarHBondContact OD1-OG1 2.85Å; D243-T245 PolarHBondContact OD2-OG1 2.9Å; T245-V261 WeakPolarHBondContact O-CB 3.5Å; T245-V261 WeakPolarHBondContact O-CG2 3.33Å; T245-V261 PolarHBondContact O-N 3.3Å
246	H	98	Very high	98.2	Very high	23 Å²	23	22.3 Å²	22.3	11%	0.106	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.7	179.6	-61.9	86.4	0	0	0	112.8	F240 C241 D243 W259 D260 I305	F240-H246 VanDerWaalsContact CD1-O 3.26Å; F240-H246 WeakPolarHBondContact CD1-O 3.31Å; C241-H246 HydrophobicContact CB-CB 3.96Å; C241-H246 WeakPolarHBondContact CB-O 3.35Å; C241-H246 PolarHBondContact N-O 2.89Å; D243-H246 PolarHBondContact OD1-N 3.28Å; D243-H246 IonicContact OD1-ND1 3.13Å; D243-H246 IonicContact OD2-CE1 3.5Å; D243-H246 IonicContact OD2-CG 3.39Å; D243-H246 IonicContact OD2-ND1 3.01Å; D243-H246 PolarHBondContact OD2-ND1 3.47Å; H246-W259 WeakPolarHBondContact CA-O 3.32Å; H246-W259 WeakPolarHBondContact CB-O 3.37Å; H246-W259 PolarHBondContact CD2-O 2.89Å; H246-D260 IonicContact NE2-OD2 3.32Å; H246-I305 HydrophobicContact CB-CD1 4.48Å; H246-I305 WeakPolarHBondContact CE1-CG2 3.47Å; H246-I305 WeakPolarHBondContact ND1-CG2 3.35Å
247	F	98.6	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	164.8	162.8	71.2	-86.9	0	0	0	109.6	V206 I214 I216 L228 V238 A239 F240 W259 V261	V206-F247 HydrophobicContact CG1-CD2 4.04Å; V206-F247 HydrophobicContact CG1-CE2 4.02Å; V206-F247 HydrophobicContact CG1-CG 4.45Å; V206-F247 HydrophobicContact CG1-CZ 4.4Å; V206-F247 HydrophobicContact CG2-CD1 4.38Å; I214-F247 HydrophobicContact CD1-CE2 4.17Å; I214-F247 HydrophobicContact CG2-CE2 3.87Å; I214-F247 HydrophobicContact CG2-CZ 3.87Å; I216-F247 HydrophobicContact CD1-CE1 4.2Å; L228-F247 HydrophobicContact CD2-CE1 4.05Å; L228-F247 HydrophobicContact CD2-CZ 3.69Å; V238-F247 HydrophobicContact CG1-CD2 4.37Å; V238-F247 HydrophobicContact CG1-CE2 4.43Å; A239-F247 WeakPolarHBondContact O-CA 3.33Å; A239-F247 WeakPolarHBondContact O-CB 3.26Å; F240-F247 HydrophobicContact CD1-CB 4.2Å; F240-F247 HydrophobicContact CG-CB 4.24Å; F247-W259 HydrophobicContact CD1-CB 3.91Å; F247-W259 HydrophobicContact CD2-CB 4.3Å; F247-W259 AromaticContact CD2-CD1 3.82Å; F247-W259 HydrophobicContact CD2-CG 4.29Å; F247-W259 HydrophobicContact CE1-CB 3.43Å; F247-W259 VanDerWaalsContact CE1-CB 3.43Å; F247-W259 HydrophobicContact CE1-CG 4.04Å; F247-W259 HydrophobicContact CE2-CB 3.85Å; F247-W259 AromaticContact CE2-CD1 3.3Å; F247-W259 HydrophobicContact CE2-CD2 4.37Å; F247-W259 AromaticContact CE2-CG 3.59Å; F247-W259 HydrophobicContact CE2-CG 3.59Å; F247-W259 AromaticContact CE2-NE1 3.92Å; F247-W259 HydrophobicContact CG-CB 4.32Å; F247-W259 HydrophobicContact CZ-CB 3.38Å; F247-W259 AromaticContact CZ-CD1 3.68Å; F247-W259 HydrophobicContact CZ-CD2 4.11Å; F247-W259 AromaticContact CZ-CG 3.44Å; F247-W259 HydrophobicContact CZ-CG 3.44Å; F247-W259 VanDerWaalsContact CZ-CG 3.44Å; F247-W259 PolarHBondContact N-O 3.43Å; F247-W259 PolarHBondContact O-N 3.1Å; F247-V261 HydrophobicContact CD1-CG2 3.7Å; F247-V261 HydrophobicContact CE1-CG2 4.28Å
248	V	98.8	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.1	178.1	66.3	0	0	0	0	109.8	V238 A239 V256 K257 V258 V280 Y282 I289	V238-V248 VanDerWaalsContact CA-O 3.29Å; V238-V248 WeakPolarHBondContact CA-O 3.4Å; A239-V248 HydrophobicContact CB-CG1 3.99Å; A239-V248 PolarHBondContact N-O 2.82Å; A239-V248 PolarHBondContact O-N 2.81Å; V248-V256 HydrophobicContact CG2-CG1 3.44Å; V248-V256 VanDerWaalsContact CG2-CG1 3.44Å; V248-K257 CarbonylContact C-O 3.58Å; V248-K257 VanDerWaalsContact CA-O 3.25Å; V248-K257 WeakPolarHBondContact CA-O 3.22Å; V248-K257 VanDerWaalsContact CG2-O 3.28Å; V248-K257 WeakPolarHBondContact CG2-O 3.26Å; V248-V258 HydrophobicContact CG2-CG2 4.4Å; V248-V280 HydrophobicContact CB-CG2 4.29Å; V248-V280 HydrophobicContact CG1-CB 4.35Å; V248-V280 HydrophobicContact CG1-CG1 3.83Å; V248-V280 HydrophobicContact CG1-CG2 3.59Å; V248-V280 HydrophobicContact CG2-CG1 4.42Å; V248-V280 HydrophobicContact CG2-CG2 3.67Å; V248-Y282 HydrophobicContact CB-CD2 4.47Å; V248-Y282 HydrophobicContact CB-CE2 3.65Å; V248-Y282 HydrophobicContact CG1-CD2 3.77Å; V248-Y282 HydrophobicContact CG1-CE2 3.43Å; V248-Y282 VanDerWaalsContact CG1-CE2 3.43Å; V248-I289 HydrophobicContact CB-CD1 4.32Å; V248-I289 HydrophobicContact CG2-CD1 3.99Å; V248-I289 HydrophobicContact CG2-CG2 4.16Å
249	S	98.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.9	172	65.3	0	0	0	0	112.5	H231 N237 V256 K257 W259	H231-S249 PolarHBondContact NE2-OG 3.2Å; N237-S249 CarbonylContact O-C 3.57Å; N237-S249 WeakPolarHBondContact O-CA 3.49Å; N237-S249 WeakPolarHBondContact O-CB 3.39Å; S249-V256 CarbonylContact O-C 3.58Å; S249-V256 VanDerWaalsContact O-CA 3.3Å; S249-V256 WeakPolarHBondContact O-CA 3.49Å; S249-K257 PolarHBondContact N-O 2.76Å; S249-K257 PolarHBondContact O-N 3.03Å; S249-W259 PolarHBondContact OG-NE1 3.48Å
250	S	98.9	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.5	173.1	72.9	0	0	0	0	111.1	L236 N237 V277	L236-S250 PolarHBondContact N-O 3.21Å; N237-S250 VanDerWaalsContact CB-OG 3.31Å; N237-S250 WeakPolarHBondContact CB-OG 3.29Å; N237-S250 PolarHBondContact N-O 2.99Å; N237-S250 PolarHBondContact O-N 3.02Å; S250-V277 VanDerWaalsContact CB-O 3.25Å; S250-V277 WeakPolarHBondContact CB-O 3.24Å; S250-V277 PolarHBondContact OG-O 2.84Å
251	S	98.9	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.5	-169.6	175.1	0	0	0	0	114.4	H231 W234 D253 K254 S255 V277	H231-S251 WeakPolarHBondContact CE1-CB 3.23Å; H231-S251 WeakPolarHBondContact ND1-CB 3.35Å; W234-S251 VanDerWaalsContact O-CA 3.23Å; W234-S251 WeakPolarHBondContact O-CA 3.39Å; W234-S251 VanDerWaalsContact O-CB 3.23Å; W234-S251 WeakPolarHBondContact O-CB 3.24Å; W234-S251 PolarHBondContact O-OG 2.9Å; S251-D253 VanDerWaalsContact CB-OD1 3.23Å; S251-D253 WeakPolarHBondContact CB-OD1 3.38Å; S251-D253 PolarHBondContact O-N 2.83Å; S251-D253 VanDerWaalsContact OG-CG 3.22Å; S251-D253 PolarHBondContact OG-N 2.88Å; S251-D253 PolarHBondContact OG-OD1 2.99Å; S251-K254 PolarHBondContact O-N 3.15Å; S251-K254 VanDerWaalsContact O-N 3.15Å; S251-S255 PolarHBondContact N-O 2.89Å; S251-V277 PolarHBondContact O-N 3.46Å; S251-V277 VanDerWaalsContact O-N 3.07Å
252	S	98.9	Very high	98	Very high	15 Å²	15	26.7 Å²	26.7	11%	0.105	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.1	164.3	-64.9	0	0	0	0	113.8	S233 W234 L236 K254 Q276	S233-S252 WeakPolarHBondContact OG-CB 3.44Å; W234-S252 PolarHBondContact O-N 2.93Å; L236-S252 WeakPolarHBondContact CD1-OG 3.44Å; S252-K254 PolarHBondContact O-N 2.94Å; S252-Q276 VanDerWaalsContact CB-OE1 3.27Å; S252-Q276 PolarHBondContact OG-OE1 3.18Å
253	D	98.8	Very high	98	Very high	38 Å²	38	27.6 Å²	27.6	20%	0.203	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	8.1	172.5	74.2	11.8	0	0	0	114.1	H231 A232 S251 S255	H231-D253 WeakPolarHBondContact CA-OD2 3.24Å; H231-D253 WeakPolarHBondContact CB-OD2 3.36Å; H231-D253 IonicContact CE1-OD1 2.74Å; H231-D253 IonicContact CG-OD2 3.29Å; H231-D253 IonicContact ND1-OD1 3.89Å; H231-D253 PolarHBondContact ND1-OD1 3.37Å; H231-D253 IonicContact ND1-OD2 3.35Å; H231-D253 PolarHBondContact ND1-OD2 3.19Å; A232-D253 HydrophobicContact CB-CB 4.04Å; A232-D253 PolarHBondContact N-OD2 3.16Å; S251-D253 VanDerWaalsContact CB-OD1 3.23Å; S251-D253 WeakPolarHBondContact CB-OD1 3.38Å; S251-D253 PolarHBondContact O-N 2.83Å; S251-D253 VanDerWaalsContact OG-CG 3.22Å; S251-D253 PolarHBondContact OG-N 2.88Å; S251-D253 PolarHBondContact OG-OD1 2.99Å; D253-S255 PolarHBondContact O-N 2.8Å; D253-S255 VanDerWaalsContact OD1-CB 3.25Å; D253-S255 WeakPolarHBondContact OD1-CB 3.46Å; D253-S255 PolarHBondContact OD1-N 2.84Å; D253-S255 PolarHBondContact OD1-OG 2.88Å; D253-S255 PolarHBondContact OD2-OG 3.37Å
254	K	98.8	Very high	98.1	Very high	92 Å²	92	30.9 Å²	30.9	40%	0.4	17%	0.173	S	C	.	.	S	Bend	trans	73.2	3.9	178.3	-40.3	-178	177.1	-162.4	0	114.7	S251 S252 Q274 D275	S251-K254 PolarHBondContact O-N 3.15Å; S251-K254 VanDerWaalsContact O-N 3.15Å; S252-K254 PolarHBondContact O-N 2.94Å; K254-Q274 WeakPolarHBondContact CD-O 3.48Å; K254-Q274 WeakPolarHBondContact CE-O 3.48Å; K254-Q274 PolarHBondContact NZ-O 2.96Å; K254-D275 WeakPolarHBondContact CA-O 3.49Å; K254-D275 WeakPolarHBondContact CB-O 3.27Å; K254-D275 WeakPolarHBondContact CG-O 3.43Å
255	S	98.8	Very high	98.1	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	18%	0.181	C	C	.	.			trans	-102.3	151.4	-177.4	75.6	0	0	0	0	113.3	H231 S251 D253 F270	H231-S255 PolarHBondContact CE1-OG 2.87Å; H231-S255 PolarHBondContact ND1-OG 2.88Å; S251-S255 PolarHBondContact N-O 2.89Å; D253-S255 PolarHBondContact O-N 2.8Å; D253-S255 VanDerWaalsContact OD1-CB 3.25Å; D253-S255 WeakPolarHBondContact OD1-CB 3.46Å; D253-S255 PolarHBondContact OD1-N 2.84Å; D253-S255 PolarHBondContact OD1-OG 2.88Å; D253-S255 PolarHBondContact OD2-OG 3.37Å; S255-F270 WeakPolarHBondContact CA-O 3.48Å; S255-F270 WeakPolarHBondContact CB-O 3.28Å
256	V	98.9	Very high	98.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.2	166.3	178.5	0	0	0	0	107.9	V248 S249 T269 F270 V277 V280 I289	V248-V256 HydrophobicContact CG2-CG1 3.44Å; V248-V256 VanDerWaalsContact CG2-CG1 3.44Å; S249-V256 CarbonylContact O-C 3.58Å; S249-V256 VanDerWaalsContact O-CA 3.3Å; S249-V256 WeakPolarHBondContact O-CA 3.49Å; V256-T269 CarbonylContact O-C 3.54Å; V256-T269 WeakPolarHBondContact O-CA 3.36Å; V256-F270 HydrophobicContact CB-CB 4.22Å; V256-F270 HydrophobicContact CB-CD2 4.07Å; V256-F270 HydrophobicContact CG1-CD2 4.05Å; V256-F270 PolarHBondContact N-O 3.3Å; V256-F270 VanDerWaalsContact N-O 3.13Å; V256-F270 PolarHBondContact O-N 3.5Å; V256-V277 HydrophobicContact CG2-CG1 3.86Å; V256-V280 HydrophobicContact CG1-CG2 3.95Å; V256-I289 HydrophobicContact CG1-CG2 4.43Å
257	K	98.8	Very high	98.1	Very high	22 Å²	22	32.6 Å²	32.6	10%	0.096	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.1	-175.8	-70.3	-177.8	-177.6	-75.1	0	111.3	G230 V248 S249 W259 H268 T269	G230-K257 VanDerWaalsContact O-CE 3.27Å; G230-K257 WeakPolarHBondContact O-CE 3.43Å; V248-K257 CarbonylContact C-O 3.58Å; V248-K257 VanDerWaalsContact CA-O 3.25Å; V248-K257 WeakPolarHBondContact CA-O 3.22Å; V248-K257 VanDerWaalsContact CG2-O 3.28Å; V248-K257 WeakPolarHBondContact CG2-O 3.26Å; S249-K257 PolarHBondContact N-O 2.76Å; S249-K257 PolarHBondContact O-N 3.03Å; K257-W259 HydrophobicContact CB-CZ2 3.89Å; K257-W259 HydrophobicContact CD-CH2 4.15Å; K257-W259 HydrophobicContact CD-CZ2 3.57Å; K257-W259 HydrophobicContact CG-CZ2 4.36Å; K257-W259 VanDerWaalsContact O-CD1 3.32Å; K257-W259 PolarHBondContact O-NE1 3.27Å; K257-H268 WeakPolarHBondContact CA-O 3.25Å; K257-T269 HydrophobicContact CG-CG2 3.84Å; K257-T269 PolarHBondContact NZ-OG1 3.13Å
258	V	98.5	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.2	169.3	-173.9	0	0	0	0	108.3	Y5 V248 C266 V267 H268 F270 I289	Y5-V258 HydrophobicContact CD1-CG2 4.44Å; Y5-V258 HydrophobicContact CE1-CB 4.4Å; Y5-V258 HydrophobicContact CE1-CG1 4.22Å; Y5-V258 HydrophobicContact CE1-CG2 4.17Å; V248-V258 HydrophobicContact CG2-CG2 4.4Å; V258-C266 CarbonylContact O-C 3.54Å; V258-C266 WeakPolarHBondContact O-CA 3.48Å; V258-V267 HydrophobicContact CB-CG2 3.78Å; V258-V267 HydrophobicContact CG1-CG2 3.54Å; V258-V267 WeakPolarHBondContact O-CG2 3.45Å; V258-V267 PolarHBondContact O-N 3.38Å; V258-H268 HydrophobicContact CB-CB 4.37Å; V258-H268 PolarHBondContact N-O 3Å; V258-H268 PolarHBondContact O-N 3.26Å; V258-F270 HydrophobicContact CG2-CE2 3.94Å; V258-I289 HydrophobicContact CG2-CD1 3.69Å
259	W	98.4	Very high	98.1	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141.6	-175.6	-53.7	84.9	0	0	0	110.4	I214 L228 S229 H246 F247 S249 K257 T265 C266	I214-W259 HydrophobicContact CD1-CH2 4.44Å; I214-W259 HydrophobicContact CD1-CZ2 3.66Å; L228-W259 HydrophobicContact CB-CE3 4.45Å; L228-W259 HydrophobicContact CB-CZ3 4.16Å; L228-W259 HydrophobicContact CD2-CD2 4.22Å; L228-W259 HydrophobicContact CD2-CE3 3.71Å; L228-W259 HydrophobicContact CD2-CZ3 4.24Å; L228-W259 HydrophobicContact CG-CE3 4.48Å; S229-W259 WeakPolarHBondContact O-CH2 3.21Å; H246-W259 WeakPolarHBondContact CA-O 3.32Å; H246-W259 WeakPolarHBondContact CB-O 3.37Å; H246-W259 PolarHBondContact CD2-O 2.89Å; F247-W259 HydrophobicContact CD1-CB 3.91Å; F247-W259 HydrophobicContact CD2-CB 4.3Å; F247-W259 AromaticContact CD2-CD1 3.82Å; F247-W259 HydrophobicContact CD2-CG 4.29Å; F247-W259 HydrophobicContact CE1-CB 3.43Å; F247-W259 VanDerWaalsContact CE1-CB 3.43Å; F247-W259 HydrophobicContact CE1-CG 4.04Å; F247-W259 HydrophobicContact CE2-CB 3.85Å; F247-W259 AromaticContact CE2-CD1 3.3Å; F247-W259 HydrophobicContact CE2-CD2 4.37Å; F247-W259 AromaticContact CE2-CG 3.59Å; F247-W259 HydrophobicContact CE2-CG 3.59Å; F247-W259 AromaticContact CE2-NE1 3.92Å; F247-W259 HydrophobicContact CG-CB 4.32Å; F247-W259 HydrophobicContact CZ-CB 3.38Å; F247-W259 AromaticContact CZ-CD1 3.68Å; F247-W259 HydrophobicContact CZ-CD2 4.11Å; F247-W259 AromaticContact CZ-CG 3.44Å; F247-W259 HydrophobicContact CZ-CG 3.44Å; F247-W259 VanDerWaalsContact CZ-CG 3.44Å; F247-W259 PolarHBondContact N-O 3.43Å; F247-W259 PolarHBondContact O-N 3.1Å; S249-W259 PolarHBondContact OG-NE1 3.48Å; K257-W259 HydrophobicContact CB-CZ2 3.89Å; K257-W259 HydrophobicContact CD-CH2 4.15Å; K257-W259 HydrophobicContact CD-CZ2 3.57Å; K257-W259 HydrophobicContact CG-CZ2 4.36Å; K257-W259 VanDerWaalsContact O-CD1 3.32Å; K257-W259 PolarHBondContact O-NE1 3.27Å; W259-T265 WeakPolarHBondContact CA-O 3.05Å; W259-C266 HydrophobicContact CD2-CB 4.21Å; W259-C266 HydrophobicContact CE3-CB 3.71Å; W259-C266 HydrophobicContact CH2-CB 4.13Å; W259-C266 HydrophobicContact CZ3-CB 3.68Å
260	D	97.6	Very high	98	Very high	37 Å²	37	36.9 Å²	36.9	20%	0.198	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126	168.3	171.7	-69.5	0	0	0	108.9	H246 G262 T263 R264 T265 V267	H246-D260 IonicContact NE2-OD2 3.32Å; D260-G262 PolarHBondContact OD1-N 3.25Å; D260-G262 VanDerWaalsContact OD1-N 3.07Å; D260-T263 WeakPolarHBondContact CB-OG1 3.41Å; D260-T263 VanDerWaalsContact CG-OG1 3.24Å; D260-T263 VanDerWaalsContact OD1-CB 3.31Å; D260-T263 WeakPolarHBondContact OD1-CB 3.2Å; D260-T263 WeakPolarHBondContact OD1-CG2 3.18Å; D260-T263 PolarHBondContact OD1-N 3.32Å; D260-T263 PolarHBondContact OD1-OG1 3.4Å; D260-R264 WeakPolarHBondContact O-CA 3.42Å; D260-R264 PolarHBondContact O-N 3.12Å; D260-T265 PolarHBondContact N-O 2.87Å; D260-T265 PolarHBondContact O-N 3.26Å; D260-V267 HydrophobicContact CB-CG1 3.7Å
261	V	97.2	Very high	98	Very high	19 Å²	19	44 Å²	44	12%	0.115	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-40.2	-173.9	174.6	0	0	0	0	111.6	L204 F240 T245 F247 R264	L204-V261 HydrophobicContact CD1-CG1 3.61Å; F240-V261 HydrophobicContact CE1-CG2 3.67Å; F240-V261 HydrophobicContact CZ-CG2 3.89Å; T245-V261 WeakPolarHBondContact O-CB 3.5Å; T245-V261 WeakPolarHBondContact O-CG2 3.33Å; T245-V261 PolarHBondContact O-N 3.3Å; F247-V261 HydrophobicContact CD1-CG2 3.7Å; F247-V261 HydrophobicContact CE1-CG2 4.28Å; V261-R264 WeakPolarHBondContact O-CG 3.46Å
262	G	96.1	Very high	98	Very high	68 Å²	68	45.7 Å²	45.7	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-47.4	-174.2	0	0	0	0	0	112.6	D260	D260-G262 PolarHBondContact OD1-N 3.25Å; D260-G262 VanDerWaalsContact OD1-N 3.07Å
263	T	97	Very high	98	Very high	85 Å²	85	45.3 Å²	45.3	52%	0.521	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.9	177.8	66.3	0	0	0	0	112.5	D260 T265	D260-T263 WeakPolarHBondContact CB-OG1 3.41Å; D260-T263 VanDerWaalsContact CG-OG1 3.24Å; D260-T263 VanDerWaalsContact OD1-CB 3.31Å; D260-T263 WeakPolarHBondContact OD1-CB 3.2Å; D260-T263 WeakPolarHBondContact OD1-CG2 3.18Å; D260-T263 PolarHBondContact OD1-N 3.32Å; D260-T263 PolarHBondContact OD1-OG1 3.4Å; T263-T265 VanDerWaalsContact C-N 3.27Å; T263-T265 PolarHBondContact O-N 2.95Å; T263-T265 PolarHBondContact OG1-N 2.91Å; T263-T265 PolarHBondContact OG1-OG1 2.87Å
264	R	96.8	Very high	98	Very high	121 Å²	121	49.4 Å²	49.4	46%	0.457	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	37.8	-177.1	-52.2	168.3	-175.2	-168.2	-7.7	112.2	A225 L228 D260 V261	A225-R264 PolarHBondContact O-NH1 2.95Å; A225-R264 PolarHBondContact O-NH2 3.45Å; L228-R264 HydrophobicContact CD1-CB 4.02Å; L228-R264 HydrophobicContact CD1-CG 4.38Å; L228-R264 HydrophobicContact CD2-CB 4.36Å; L228-R264 HydrophobicContact CG-CB 4.17Å; D260-R264 WeakPolarHBondContact O-CA 3.42Å; D260-R264 PolarHBondContact O-N 3.12Å; V261-R264 WeakPolarHBondContact O-CG 3.46Å
265	T	97.2	Very high	97.9	Very high	72 Å²	72	48.3 Å²	48.3	44%	0.442	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.6	-177.9	62.9	0	0	0	0	111.2	W259 D260 T263 V267	W259-T265 WeakPolarHBondContact CA-O 3.05Å; D260-T265 PolarHBondContact N-O 2.87Å; D260-T265 PolarHBondContact O-N 3.26Å; T263-T265 VanDerWaalsContact C-N 3.27Å; T263-T265 PolarHBondContact O-N 2.95Å; T263-T265 PolarHBondContact OG1-N 2.91Å; T263-T265 PolarHBondContact OG1-OG1 2.87Å; T265-V267 PolarHBondContact O-N 3.32Å
266	C	97.9	Very high	97.9	Very high	50 Å²	50	50.5 Å²	50.5	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	119.3	170.2	-179.9	0	0	0	0	108.4	V258 W259 H268 T269	V258-C266 CarbonylContact O-C 3.54Å; V258-C266 WeakPolarHBondContact O-CA 3.48Å; W259-C266 HydrophobicContact CD2-CB 4.21Å; W259-C266 HydrophobicContact CE3-CB 3.71Å; W259-C266 HydrophobicContact CH2-CB 4.13Å; W259-C266 HydrophobicContact CZ3-CB 3.68Å; C266-H268 PolarHBondContact SG-O 2.86Å; C266-T269 PolarHBondContact SG-OG1 2.86Å
267	V	96.9	Very high	97.9	Very high	59 Å²	59	50.5 Å²	50.5	36%	0.358	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-26.9	-179.2	-60.9	0	0	0	0	112.3	V258 D260 T265	V258-V267 HydrophobicContact CB-CG2 3.78Å; V258-V267 HydrophobicContact CG1-CG2 3.54Å; V258-V267 WeakPolarHBondContact O-CG2 3.45Å; V258-V267 PolarHBondContact O-N 3.38Å; D260-V267 HydrophobicContact CB-CG1 3.7Å; T265-V267 PolarHBondContact O-N 3.32Å
268	H	97.7	Very high	97.9	Very high	56 Å²	56	51.4 Å²	51.4	26%	0.259	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154.9	176	-162.3	72	0	0	0	112.5	Y5 K257 V258 C266 F270	Y5-H268 WeakPolarHBondContact CB-CD2 3.41Å; Y5-H268 VanDerWaalsContact CB-CG 3.46Å; Y5-H268 WeakPolarHBondContact CB-NE2 3.37Å; Y5-H268 HydrophobicContact CD1-CB 3.98Å; Y5-H268 HydrophobicContact CD2-CB 3.91Å; Y5-H268 AromaticContact CD2-CG 3.91Å; Y5-H268 AromaticContact CD2-ND1 4Å; Y5-H268 HydrophobicContact CE1-CB 4.31Å; Y5-H268 HydrophobicContact CE2-CB 4.25Å; Y5-H268 HydrophobicContact CG-CB 3.78Å; Y5-H268 AromaticContact CG-CD2 3.89Å; Y5-H268 AromaticContact CG-CG 3.58Å; Y5-H268 AromaticContact CG-ND1 3.95Å; K257-H268 WeakPolarHBondContact CA-O 3.25Å; V258-H268 HydrophobicContact CB-CB 4.37Å; V258-H268 PolarHBondContact N-O 3Å; V258-H268 PolarHBondContact O-N 3.26Å; C266-H268 PolarHBondContact SG-O 2.86Å; H268-F270 AromaticContact CD2-CD1 3.78Å; H268-F270 AromaticContact CD2-CE1 3.48Å; H268-F270 VanDerWaalsContact CD2-CE1 3.48Å; H268-F270 WeakPolarHBondContact CD2-CE1 3.15Å; H268-F270 AromaticContact CD2-CE2 3.9Å; H268-F270 AromaticContact CD2-CZ 3.56Å; H268-F270 AromaticContact NE2-CD1 3.76Å; H268-F270 AromaticContact NE2-CE1 3.59Å
269	T	98.3	Very high	97.9	Very high	30 Å²	30	51.5 Å²	51.5	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.1	173.7	-55.8	0	0	0	0	110.5	V256 K257 C266 F271	V256-T269 CarbonylContact O-C 3.54Å; V256-T269 WeakPolarHBondContact O-CA 3.36Å; K257-T269 HydrophobicContact CG-CG2 3.84Å; K257-T269 PolarHBondContact NZ-OG1 3.13Å; C266-T269 PolarHBondContact SG-OG1 2.86Å; T269-F271 HydrophobicContact CG2-CD1 4.27Å; T269-F271 HydrophobicContact CG2-CD2 4.11Å; T269-F271 HydrophobicContact CG2-CE1 3.71Å; T269-F271 HydrophobicContact CG2-CE2 3.52Å; T269-F271 HydrophobicContact CG2-CG 4.46Å; T269-F271 HydrophobicContact CG2-CZ 3.31Å
270	F	98.5	Very high	98	Very high	5 Å²	5	51.3 Å²	51.3	2%	0.022	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.1	170.5	-53.9	-77.4	0	0	0	110.2	Y5 S255 V256 V258 H268 I289 Y301	Y5-F270 HydrophobicContact CD1-CZ 4.11Å; S255-F270 WeakPolarHBondContact CA-O 3.48Å; S255-F270 WeakPolarHBondContact CB-O 3.28Å; V256-F270 HydrophobicContact CB-CB 4.22Å; V256-F270 HydrophobicContact CB-CD2 4.07Å; V256-F270 HydrophobicContact CG1-CD2 4.05Å; V256-F270 PolarHBondContact N-O 3.3Å; V256-F270 VanDerWaalsContact N-O 3.13Å; V256-F270 PolarHBondContact O-N 3.5Å; V258-F270 HydrophobicContact CG2-CE2 3.94Å; H268-F270 AromaticContact CD2-CD1 3.78Å; H268-F270 AromaticContact CD2-CE1 3.48Å; H268-F270 VanDerWaalsContact CD2-CE1 3.48Å; H268-F270 WeakPolarHBondContact CD2-CE1 3.15Å; H268-F270 AromaticContact CD2-CE2 3.9Å; H268-F270 AromaticContact CD2-CZ 3.56Å; H268-F270 AromaticContact NE2-CD1 3.76Å; H268-F270 AromaticContact NE2-CE1 3.59Å; F270-I289 HydrophobicContact CE2-CD1 4.24Å; F270-Y301 HydrophobicContact CB-CD1 4.12Å; F270-Y301 HydrophobicContact CB-CE1 3.63Å; F270-Y301 AromaticContact CD1-CD1 3.31Å; F270-Y301 HydrophobicContact CD1-CD1 3.31Å; F270-Y301 AromaticContact CD1-CE1 3.73Å; F270-Y301 HydrophobicContact CD1-CE1 3.73Å; F270-Y301 HydrophobicContact CD1-CG 4.03Å; F270-Y301 HydrophobicContact CD2-CD1 4.07Å; F270-Y301 HydrophobicContact CD2-CD2 4.45Å; F270-Y301 HydrophobicContact CD2-CE1 4.27Å; F270-Y301 HydrophobicContact CD2-CG 4.15Å; F270-Y301 AromaticContact CE1-CD1 3.59Å; F270-Y301 HydrophobicContact CE1-CD1 3.59Å; F270-Y301 HydrophobicContact CE1-CE1 4.43Å; F270-Y301 AromaticContact CE1-CG 3.93Å; F270-Y301 HydrophobicContact CE1-CG 3.93Å; F270-Y301 HydrophobicContact CE2-CD1 4.29Å; F270-Y301 HydrophobicContact CE2-CD2 4.5Å; F270-Y301 HydrophobicContact CE2-CG 4.06Å; F270-Y301 AromaticContact CG-CD1 3.57Å; F270-Y301 HydrophobicContact CG-CD1 3.57Å; F270-Y301 AromaticContact CG-CE1 3.62Å; F270-Y301 HydrophobicContact CG-CE1 3.62Å; F270-Y301 HydrophobicContact CG-CG 4.13Å; F270-Y301 HydrophobicContact CZ-CD1 4.07Å; F270-Y301 AromaticContact CZ-CG 3.94Å; F270-Y301 HydrophobicContact CZ-CG 3.94Å
271	F	98	Very high	98	Very high	149 Å²	149	52.4 Å²	52.4	65%	0.654	28%	0.28	S	S	*	.			trans	-126.6	32.5	-177.5	-63.8	-79.9	0	0	0	111.3	T269	T269-F271 HydrophobicContact CG2-CD1 4.27Å; T269-F271 HydrophobicContact CG2-CD2 4.11Å; T269-F271 HydrophobicContact CG2-CE1 3.71Å; T269-F271 HydrophobicContact CG2-CE2 3.52Å; T269-F271 HydrophobicContact CG2-CG 4.46Å; T269-F271 HydrophobicContact CG2-CZ 3.31Å
272	D	98.5	Very high	98	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.193	28%	0.277	C	S	.	.			trans	-83.4	-29.8	-169.9	-68.4	-82.1	0	0	0	113.6	I7 K10 Q274 H299 Y301	I7-D272 HydrophobicContact CD1-CB 3.7Å; K10-D272 IonicContact NZ-OD1 2.91Å; D272-Q274 PolarHBondContact O-NE2 3.22Å; D272-Q274 VanDerWaalsContact O-NE2 3.17Å; D272-H299 PolarHBondContact O-CE1 3.26Å; D272-Y301 HydrophobicContact CB-CE1 4.2Å; D272-Y301 WeakPolarHBondContact OD2-CE1 3.27Å
273	H	98.7	Very high	98	Very high	6 Å²	6	49 Å²	49	3%	0.028	24%	0.244	C	C	.	.			trans	-71.8	144.1	177.9	-80.8	-75.1	0	0	0	112.1	V277 S291 D295 H299	H273-V277 HydrophobicContact CB-CG2 3.54Å; H273-V277 VanDerWaalsContact CD2-CG2 3.41Å; H273-V277 WeakPolarHBondContact CD2-CG2 3.43Å; H273-S291 PolarHBondContact CD2-OG 3.25Å; H273-S291 PolarHBondContact NE2-OG 3.29Å; H273-D295 WeakPolarHBondContact CA-OD2 3.23Å; H273-D295 VanDerWaalsContact CB-OD2 3.26Å; H273-D295 WeakPolarHBondContact CB-OD2 3.3Å; H273-D295 IonicContact CE1-OD1 3.63Å; H273-D295 IonicContact CE1-OD2 3.44Å; H273-D295 IonicContact CG-OD2 3.98Å; H273-D295 VanDerWaalsContact ND1-CG 3.26Å; H273-D295 IonicContact ND1-OD1 3.05Å; H273-D295 PolarHBondContact ND1-OD1 3.4Å; H273-D295 IonicContact ND1-OD2 3.43Å; H273-D295 PolarHBondContact ND1-OD2 2.9Å; H273-H299 AromaticContact CD2-ND1 3.35Å; H273-H299 PolarHBondContact CD2-ND1 3.09Å; H273-H299 VanDerWaalsContact CD2-ND1 3.35Å; H273-H299 AromaticContact CE1-CE1 3.89Å; H273-H299 AromaticContact CE1-CG 4Å; H273-H299 AromaticContact CE1-ND1 3.36Å; H273-H299 PolarHBondContact CE1-ND1 3.22Å; H273-H299 AromaticContact CG-CE1 3.89Å; H273-H299 AromaticContact CG-ND1 3.56Å; H273-H299 AromaticContact ND1-CE1 3.74Å; H273-H299 AromaticContact ND1-ND1 3.56Å; H273-H299 AromaticContact NE2-CG 3.83Å; H273-H299 AromaticContact NE2-ND1 3.21Å; H273-H299 PolarHBondContact NE2-ND1 3.26Å
274	Q	98.4	Very high	97.8	Very high	125 Å²	125	47.4 Å²	47.4	58%	0.584	24%	0.244	S	C	*	.	S	Bend	trans	-95.8	-9.5	178.7	-58.4	-52.3	-58.8	0	0	112.9	K254 D272 D295	K254-Q274 WeakPolarHBondContact CD-O 3.48Å; K254-Q274 WeakPolarHBondContact CE-O 3.48Å; K254-Q274 PolarHBondContact NZ-O 2.96Å; D272-Q274 PolarHBondContact O-NE2 3.22Å; D272-Q274 VanDerWaalsContact O-NE2 3.17Å; Q274-D295 HydrophobicContact CB-CB 4.34Å; Q274-D295 PolarHBondContact N-OD2 2.65Å
275	D	98.6	Very high	97.6	Very high	68 Å²	68	46.9 Å²	46.9	36%	0.364	25%	0.25	S	S	.	.	S	Bend	trans	-145.1	-168.3	175.5	-143.7	-29.7	0	0	0	112.4	K254 D294 D295	K254-D275 WeakPolarHBondContact CA-O 3.49Å; K254-D275 WeakPolarHBondContact CB-O 3.27Å; K254-D275 WeakPolarHBondContact CG-O 3.43Å; D275-D294 HydrophobicContact CB-CB 3.84Å; D275-D295 HydrophobicContact CB-CB 4.22Å
276	Q	98.7	Very high	97.6	Very high	48 Å²	48	43.5 Å²	43.5	22%	0.224	23%	0.23	C	C	.	.			trans	-57.1	136.5	-176.1	-55.7	-174.5	94.5	0	0	112.4	L236 S252 G293 D294	L236-Q276 HydrophobicContact CD1-CB 4.31Å; S252-Q276 VanDerWaalsContact CB-OE1 3.27Å; S252-Q276 PolarHBondContact OG-OE1 3.18Å; Q276-G293 CarbonylContact O-C 3.51Å; Q276-G293 WeakPolarHBondContact O-CA 3.36Å; Q276-D294 HydrophobicContact CB-CB 4.44Å; Q276-D294 PolarHBondContact NE2-OD2 2.85Å; Q276-D294 PolarHBondContact O-N 2.6Å
277	V	98.9	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.4	-178.6	-167.6	0	0	0	0	110.5	S250 S251 V256 H273 V292	S250-V277 VanDerWaalsContact CB-O 3.25Å; S250-V277 WeakPolarHBondContact CB-O 3.24Å; S250-V277 PolarHBondContact OG-O 2.84Å; S251-V277 PolarHBondContact O-N 3.46Å; S251-V277 VanDerWaalsContact O-N 3.07Å; V256-V277 HydrophobicContact CG2-CG1 3.86Å; H273-V277 HydrophobicContact CB-CG2 3.54Å; H273-V277 VanDerWaalsContact CD2-CG2 3.41Å; H273-V277 WeakPolarHBondContact CD2-CG2 3.43Å; V277-V292 CarbonylContact C-O 3.54Å; V277-V292 WeakPolarHBondContact CG1-O 3.35Å
278	W	98.8	Very high	97.4	Very high	42 Å²	42	41.4 Å²	41.4	16%	0.159	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-35.3	-172.7	-77.9	105.1	0	0	0	114.7	W20 L236 N237 V292 D294	W20-W278 AromaticContact CD1-CD1 3.81Å; W20-W278 AromaticContact CD1-NE1 3.87Å; W20-W278 AromaticContact NE1-CE2 3.99Å; W20-W278 AromaticContact NE1-NE1 3.78Å; L236-W278 HydrophobicContact CB-CE3 4.46Å; L236-W278 HydrophobicContact CD1-CD2 4.01Å; L236-W278 HydrophobicContact CD1-CE3 3.95Å; L236-W278 HydrophobicContact CD1-CG 4.45Å; L236-W278 HydrophobicContact CD1-CZ3 4.31Å; L236-W278 HydrophobicContact CD2-CE3 4.28Å; L236-W278 HydrophobicContact CD2-CH2 4.45Å; L236-W278 HydrophobicContact CD2-CZ3 3.96Å; L236-W278 HydrophobicContact CG-CE3 4.47Å; N237-W278 WeakPolarHBondContact CB-O 3.48Å; W278-V292 PolarHBondContact N-O 3.03Å; W278-D294 VanDerWaalsContact CD1-OD1 3.27Å; W278-D294 VanDerWaalsContact NE1-CG 3.29Å; W278-D294 PolarHBondContact NE1-OD1 3.03Å; W278-D294 PolarHBondContact NE1-OD2 3Å
279	G	98.7	Very high	97.4	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.3	-172.5	0	0	0	0	0	112.2	S291 V292	G279-S291 CarbonylContact O-C 3.53Å; G279-S291 WeakPolarHBondContact O-CA 3.28Å; G279-V292 PolarHBondContact N-O 2.98Å; G279-V292 PolarHBondContact O-N 2.54Å
280	V	98.9	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.4	169.2	69.9	0	0	0	0	111	N237 V248 V256 I289 V290	N237-V280 HydrophobicContact CB-CG1 4.14Å; N237-V280 PolarHBondContact OD1-N 2.73Å; N237-V280 PolarHBondContact OD1-O 3.12Å; N237-V280 VanDerWaalsContact OD1-O 3.04Å; V248-V280 HydrophobicContact CB-CG2 4.29Å; V248-V280 HydrophobicContact CG1-CB 4.35Å; V248-V280 HydrophobicContact CG1-CG1 3.83Å; V248-V280 HydrophobicContact CG1-CG2 3.59Å; V248-V280 HydrophobicContact CG2-CG1 4.42Å; V248-V280 HydrophobicContact CG2-CG2 3.67Å; V256-V280 HydrophobicContact CG1-CG2 3.95Å; V280-I289 HydrophobicContact CG2-CG2 3.35Å; V280-V290 CarbonylContact C-O 3.57Å; V280-V290 VanDerWaalsContact CA-O 3.23Å; V280-V290 WeakPolarHBondContact CA-O 3.4Å; V280-V290 VanDerWaalsContact CG2-O 3.32Å; V280-V290 WeakPolarHBondContact CG2-O 3.44Å
281	K	98.6	Very high	97.5	Very high	60 Å²	60	37.1 Å²	37.1	26%	0.261	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.3	175.4	-69.4	-71.8	163.7	-89.4	0	111.2	V22 W24 N237 A239 I289 V290	V22-K281 HydrophobicContact CG1-CG 4.36Å; V22-K281 WeakPolarHBondContact O-CG 3.29Å; W24-K281 HydrophobicContact CB-CB 4.38Å; N237-K281 PolarHBondContact OD1-NZ 2.84Å; A239-K281 HydrophobicContact CB-CD 4.12Å; K281-I289 CarbonylContact O-C 3.56Å; K281-I289 WeakPolarHBondContact O-CA 3.41Å; K281-V290 HydrophobicContact CB-CG1 3.88Å; K281-V290 PolarHBondContact N-O 2.97Å; K281-V290 PolarHBondContact O-N 3.11Å
282	Y	97.8	Very high	97.5	Very high	14 Å²	14	30 Å²	30	6%	0.055	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	151.6	162.8	-80.1	-79.4	0	0	0	110.7	F240 C241 V248 G286 K288 I289 C303 I305	F240-Y282 WeakPolarHBondContact O-CD2 3.34Å; C241-Y282 HydrophobicContact CB-CD1 4.43Å; C241-Y282 HydrophobicContact CB-CD2 3.97Å; C241-Y282 HydrophobicContact CB-CE1 4.19Å; C241-Y282 HydrophobicContact CB-CE2 3.68Å; C241-Y282 HydrophobicContact CB-CG 4.33Å; V248-Y282 HydrophobicContact CB-CD2 4.47Å; V248-Y282 HydrophobicContact CB-CE2 3.65Å; V248-Y282 HydrophobicContact CG1-CD2 3.77Å; V248-Y282 HydrophobicContact CG1-CE2 3.43Å; V248-Y282 VanDerWaalsContact CG1-CE2 3.43Å; Y282-G286 WeakPolarHBondContact CD1-O 3.18Å; Y282-K288 CarbonylContact C-O 3.56Å; Y282-K288 WeakPolarHBondContact CA-O 3.33Å; Y282-K288 WeakPolarHBondContact CD1-O 3.35Å; Y282-I289 HydrophobicContact CD1-CD1 4.46Å; Y282-I289 HydrophobicContact CD1-CG1 3.62Å; Y282-I289 HydrophobicContact CE1-CD1 3.69Å; Y282-I289 HydrophobicContact CE1-CG1 3.34Å; Y282-I289 HydrophobicContact CG-CG1 4.36Å; Y282-C303 HydrophobicContact CE1-CB 4.23Å; Y282-I305 HydrophobicContact CE1-CD1 3.91Å
283	N	95.9	Very high	97.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.011	15%	0.153	C	C	.	.			trans	-74.1	170.5	163	81.6	-34.9	0	0	0	111.2	W24 E33 N285 G286 S287 K288	W24-N283 HydrophobicContact CD2-CB 3.55Å; W24-N283 VanDerWaalsContact CE2-CB 3.4Å; W24-N283 HydrophobicContact CE3-CB 3.88Å; W24-N283 HydrophobicContact CG-CB 4.03Å; W24-N283 HydrophobicContact CH2-CB 4.1Å; W24-N283 HydrophobicContact CZ2-CB 3.72Å; W24-N283 HydrophobicContact CZ3-CB 4.15Å; E33-N283 WeakPolarHBondContact OE1-CB 3.36Å; E33-N283 PolarHBondContact OE1-ND2 2.59Å; N283-N285 VanDerWaalsContact CG-OD1 3.28Å; N283-N285 PolarHBondContact ND2-OD1 2.94Å; N283-N285 PolarHBondContact O-N 2.72Å; N283-N285 PolarHBondContact OD1-OD1 2.88Å; N283-G286 PolarHBondContact O-N 3.03Å; N283-G286 PolarHBondContact OD1-N 3.24Å; N283-G286 VanDerWaalsContact OD1-N 3.15Å; N283-S287 PolarHBondContact OD1-N 2.8Å; N283-K288 HydrophobicContact CB-CB 4.23Å; N283-K288 PolarHBondContact N-O 2.92Å; N283-K288 PolarHBondContact OD1-N 3.35Å; N283-K288 PolarHBondContact OD1-O 3.28Å
284	G	92.8	Very high	97.5	Very high	50 Å²	50	30 Å²	30	52%	0.515	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17	-169.2	0	0	0	0	0	116.1
285	N	92.8	Very high	97.5	Very high	110 Å²	110	25.3 Å²	25.3	59%	0.588	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	3.2	176.7	69.1	11.3	0	0	0	113.9	N283 S287	N283-N285 VanDerWaalsContact CG-OD1 3.28Å; N283-N285 PolarHBondContact ND2-OD1 2.94Å; N283-N285 PolarHBondContact O-N 2.72Å; N283-N285 PolarHBondContact OD1-OD1 2.88Å; N285-S287 PolarHBondContact O-N 3.3Å; N285-S287 WeakPolarHBondContact OD1-CB 3.44Å; N285-S287 PolarHBondContact OD1-N 3.01Å; N285-S287 PolarHBondContact OD1-OG 2.81Å
286	G	95.2	Very high	97.5	Very high	2 Å²	2	25 Å²	25	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	78	-8.6	179.2	0	0	0	0	0	115.8	Y282 N283 K288 I305	Y282-G286 WeakPolarHBondContact CD1-O 3.18Å; N283-G286 PolarHBondContact O-N 3.03Å; N283-G286 PolarHBondContact OD1-N 3.24Å; N283-G286 VanDerWaalsContact OD1-N 3.15Å; G286-K288 PolarHBondContact O-N 2.91Å; G286-I305 WeakPolarHBondContact O-CD1 3.31Å
287	S	94.7	Very high	97.5	Very high	34 Å²	34	24.1 Å²	24.1	24%	0.238	13%	0.133	C	C	.	.	S	Bend	trans	-71.5	-13.8	-176.5	66.2	0	0	0	0	114.3	N283 N285 C303	N283-S287 PolarHBondContact OD1-N 2.8Å; N285-S287 PolarHBondContact O-N 3.3Å; N285-S287 WeakPolarHBondContact OD1-CB 3.44Å; N285-S287 PolarHBondContact OD1-N 3.01Å; N285-S287 PolarHBondContact OD1-OG 2.81Å; S287-C303 WeakPolarHBondContact CA-O 3.47Å; S287-C303 PolarHBondContact O-N 3.44Å
288	K	96.6	Very high	97.5	Very high	31 Å²	31	24.1 Å²	24.1	14%	0.135	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151	-177.6	-66.9	173.9	175.9	35.7	0	111.9	L8 W24 W49 Y282 N283 G286 I300 Y301 D302	L8-K288 HydrophobicContact CD1-CD 4.2Å; L8-K288 HydrophobicContact CD1-CG 4.19Å; W24-K288 HydrophobicContact CH2-CB 3.66Å; W24-K288 HydrophobicContact CH2-CD 4.18Å; W24-K288 HydrophobicContact CZ2-CB 4.44Å; W24-K288 HydrophobicContact CZ3-CB 3.96Å; W49-K288 HydrophobicContact CZ2-CD 4.05Å; Y282-K288 CarbonylContact C-O 3.56Å; Y282-K288 WeakPolarHBondContact CA-O 3.33Å; Y282-K288 WeakPolarHBondContact CD1-O 3.35Å; N283-K288 HydrophobicContact CB-CB 4.23Å; N283-K288 PolarHBondContact N-O 2.92Å; N283-K288 PolarHBondContact OD1-N 3.35Å; N283-K288 PolarHBondContact OD1-O 3.28Å; G286-K288 PolarHBondContact O-N 2.91Å; K288-I300 HydrophobicContact CB-CG2 4.46Å; K288-I300 HydrophobicContact CD-CG2 4.41Å; K288-Y301 VanDerWaalsContact CA-O 3.29Å; K288-Y301 WeakPolarHBondContact CA-O 3.27Å; K288-D302 IonicContact NZ-OD1 2.7Å
289	I	98.4	Very high	97.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.4	174.4	-64.7	161.7	0	0	0	108.1	V248 V256 V258 F270 V280 K281 Y282 I300 Y301 C303	V248-I289 HydrophobicContact CB-CD1 4.32Å; V248-I289 HydrophobicContact CG2-CD1 3.99Å; V248-I289 HydrophobicContact CG2-CG2 4.16Å; V256-I289 HydrophobicContact CG1-CG2 4.43Å; V258-I289 HydrophobicContact CG2-CD1 3.69Å; F270-I289 HydrophobicContact CE2-CD1 4.24Å; V280-I289 HydrophobicContact CG2-CG2 3.35Å; K281-I289 CarbonylContact O-C 3.56Å; K281-I289 WeakPolarHBondContact O-CA 3.41Å; Y282-I289 HydrophobicContact CD1-CD1 4.46Å; Y282-I289 HydrophobicContact CD1-CG1 3.62Å; Y282-I289 HydrophobicContact CE1-CD1 3.69Å; Y282-I289 HydrophobicContact CE1-CG1 3.34Å; Y282-I289 HydrophobicContact CG-CG1 4.36Å; I289-I300 CarbonylContact O-C 3.51Å; I289-I300 WeakPolarHBondContact O-CA 3.41Å; I289-Y301 HydrophobicContact CB-CD2 4.03Å; I289-Y301 HydrophobicContact CG2-CD2 3.96Å; I289-Y301 HydrophobicContact CG2-CE2 4.47Å; I289-Y301 PolarHBondContact N-O 3.16Å; I289-Y301 VanDerWaalsContact N-O 3.14Å; I289-Y301 PolarHBondContact O-N 2.86Å; I289-C303 HydrophobicContact CD1-CB 4.09Å; I289-C303 HydrophobicContact CG1-CB 4.26Å
290	V	98.8	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.2	163.8	64.2	0	0	0	0	109.6	V22 W24 V35 V280 K281 I298 H299 I300	V22-V290 HydrophobicContact CG1-CG1 4.15Å; V22-V290 HydrophobicContact CG2-CG1 3.74Å; V22-V290 HydrophobicContact CG2-CG2 3.93Å; W24-V290 HydrophobicContact CB-CG1 4.33Å; W24-V290 HydrophobicContact CD2-CG1 4.39Å; W24-V290 HydrophobicContact CE3-CB 3.49Å; W24-V290 VanDerWaalsContact CE3-CB 3.49Å; W24-V290 HydrophobicContact CE3-CG1 3.52Å; W24-V290 HydrophobicContact CZ3-CB 3.65Å; W24-V290 HydrophobicContact CZ3-CG1 4.21Å; V35-V290 HydrophobicContact CG1-CG2 4.23Å; V280-V290 CarbonylContact C-O 3.57Å; V280-V290 VanDerWaalsContact CA-O 3.23Å; V280-V290 WeakPolarHBondContact CA-O 3.4Å; V280-V290 VanDerWaalsContact CG2-O 3.32Å; V280-V290 WeakPolarHBondContact CG2-O 3.44Å; K281-V290 HydrophobicContact CB-CG1 3.88Å; K281-V290 PolarHBondContact N-O 2.97Å; K281-V290 PolarHBondContact O-N 3.11Å; V290-I298 HydrophobicContact CG2-CG2 3.45Å; V290-I298 VanDerWaalsContact CG2-CG2 3.45Å; V290-H299 CarbonylContact C-O 3.59Å; V290-H299 VanDerWaalsContact CA-O 3.27Å; V290-H299 WeakPolarHBondContact CA-O 3.5Å; V290-I300 HydrophobicContact CB-CD1 3.66Å; V290-I300 HydrophobicContact CG2-CD1 3.57Å
291	S	98.9	Very high	97.4	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.5	166.1	67.6	0	0	0	0	112.8	H273 G279 I298 H299 Y301	H273-S291 PolarHBondContact CD2-OG 3.25Å; H273-S291 PolarHBondContact NE2-OG 3.29Å; G279-S291 CarbonylContact O-C 3.53Å; G279-S291 WeakPolarHBondContact O-CA 3.28Å; S291-I298 WeakPolarHBondContact O-CA 3.3Å; S291-H299 PolarHBondContact N-O 3.49Å; S291-H299 PolarHBondContact O-N 2.71Å; S291-Y301 WeakPolarHBondContact OG-CE2 3.24Å; S291-Y301 PolarHBondContact OG-OH 2.73Å
292	V	98.9	Very high	97.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.6	-178.8	-58.7	0	0	0	0	110.9	I19 V22 T37 V277 W278 G279 E297 I298	I19-V292 HydrophobicContact CB-CB 3.87Å; I19-V292 HydrophobicContact CB-CG2 4.21Å; I19-V292 HydrophobicContact CG2-CB 3.6Å; I19-V292 HydrophobicContact CG2-CG1 3.97Å; I19-V292 HydrophobicContact CG2-CG2 3.7Å; V22-V292 HydrophobicContact CB-CB 4.48Å; V22-V292 HydrophobicContact CB-CG1 3.82Å; V22-V292 HydrophobicContact CB-CG2 3.77Å; V22-V292 HydrophobicContact CG1-CG1 4.19Å; V22-V292 HydrophobicContact CG1-CG2 3.78Å; V22-V292 HydrophobicContact CG2-CG1 4.02Å; T37-V292 HydrophobicContact CG2-CG1 4.07Å; V277-V292 CarbonylContact C-O 3.54Å; V277-V292 WeakPolarHBondContact CG1-O 3.35Å; W278-V292 PolarHBondContact N-O 3.03Å; G279-V292 PolarHBondContact N-O 2.98Å; G279-V292 PolarHBondContact O-N 2.54Å; V292-E297 WeakPolarHBondContact CA-O 3.35Å; V292-I298 HydrophobicContact CG1-CB 4.36Å; V292-I298 HydrophobicContact CG1-CG1 3.96Å; V292-I298 HydrophobicContact CG1-CG2 4.15Å
293	G	98.5	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-173	-173.5	0	0	0	0	0	116.9	I19 Q276 D295 Q296	I19-G293 PolarHBondContact N-O 2.79Å; Q276-G293 CarbonylContact O-C 3.51Å; Q276-G293 WeakPolarHBondContact O-CA 3.36Å; G293-D295 PolarHBondContact O-N 2.82Å; G293-Q296 PolarHBondContact O-N 3.49Å
294	D	98.7	Very high	96.5	Very high	41 Å²	41	21.2 Å²	21.2	22%	0.219	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.7	176.4	-81.8	-13	0	0	0	112.9	A18 D275 Q276 W278 Q296	A18-D294 HydrophobicContact CB-CB 4.45Å; A18-D294 WeakPolarHBondContact CB-OD1 3.44Å; D275-D294 HydrophobicContact CB-CB 3.84Å; Q276-D294 HydrophobicContact CB-CB 4.44Å; Q276-D294 PolarHBondContact NE2-OD2 2.85Å; Q276-D294 PolarHBondContact O-N 2.6Å; W278-D294 VanDerWaalsContact CD1-OD1 3.27Å; W278-D294 VanDerWaalsContact NE1-CG 3.29Å; W278-D294 PolarHBondContact NE1-OD1 3.03Å; W278-D294 PolarHBondContact NE1-OD2 3Å; D294-Q296 PolarHBondContact O-N 2.83Å
295	D	98.5	Very high	95.5	Very high	27 Å²	27	24 Å²	24	14%	0.144	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.4	173.7	54.8	11.4	0	0	0	113.9	H273 Q274 D275 G293 E297	H273-D295 WeakPolarHBondContact CA-OD2 3.23Å; H273-D295 VanDerWaalsContact CB-OD2 3.26Å; H273-D295 WeakPolarHBondContact CB-OD2 3.3Å; H273-D295 IonicContact CE1-OD1 3.63Å; H273-D295 IonicContact CE1-OD2 3.44Å; H273-D295 IonicContact CG-OD2 3.98Å; H273-D295 VanDerWaalsContact ND1-CG 3.26Å; H273-D295 IonicContact ND1-OD1 3.05Å; H273-D295 PolarHBondContact ND1-OD1 3.4Å; H273-D295 IonicContact ND1-OD2 3.43Å; H273-D295 PolarHBondContact ND1-OD2 2.9Å; Q274-D295 HydrophobicContact CB-CB 4.34Å; Q274-D295 PolarHBondContact N-OD2 2.65Å; D275-D295 HydrophobicContact CB-CB 4.22Å; G293-D295 PolarHBondContact O-N 2.82Å; D295-E297 HydrophobicContact CB-CG 4.28Å; D295-E297 WeakPolarHBondContact O-CG 3.48Å; D295-E297 PolarHBondContact O-N 2.87Å; D295-E297 PolarHBondContact OD1-N 3.08Å
296	Q	98.6	Very high	95.6	Very high	61 Å²	61	19.7 Å²	19.7	29%	0.285	11%	0.105	S	C	.	.	S	Bend	trans	67.5	18.9	177.6	-42.5	175.5	-12	0	0	113.4	A14 H15 D16 G293 D294	A14-Q296 PolarHBondContact N-O 2.93Å; H15-Q296 PolarHBondContact O-OE1 2.8Å; D16-Q296 PolarHBondContact O-NE2 3.27Å; D16-Q296 VanDerWaalsContact O-NE2 3.11Å; G293-Q296 PolarHBondContact O-N 3.49Å; D294-Q296 PolarHBondContact O-N 2.83Å
297	E	98.7	Very high	95.6	Very high	31 Å²	31	20.6 Å²	20.6	15%	0.145	11%	0.109	C	C	.	.			trans	-107.5	152	-175.6	-53	-169.8	157.9	0	0	112.4	Q11 V292 D295 H299	Q11-E297 WeakPolarHBondContact O-CA 3.26Å; V292-E297 WeakPolarHBondContact CA-O 3.35Å; D295-E297 HydrophobicContact CB-CG 4.28Å; D295-E297 WeakPolarHBondContact O-CG 3.48Å; D295-E297 PolarHBondContact O-N 2.87Å; D295-E297 PolarHBondContact OD1-N 3.08Å; E297-H299 IonicContact OE2-CE1 3.5Å; E297-H299 PolarHBondContact OE2-CE1 3.4Å; E297-H299 IonicContact OE2-NE2 3.72Å; E297-H299 PolarHBondContact OE2-NE2 3.38Å
298	I	98.8	Very high	95.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	165	-51.6	167.5	0	0	0	108.2	Q11 A14 I19 T37 W47 L54 V290 S291 V292 I300	Q11-I298 HydrophobicContact CB-CB 4.1Å; Q11-I298 PolarHBondContact N-O 3.16Å; Q11-I298 PolarHBondContact O-N 2.59Å; A14-I298 HydrophobicContact CB-CD1 3.63Å; A14-I298 HydrophobicContact CB-CG1 3.61Å; I19-I298 HydrophobicContact CD1-CG1 4.07Å; T37-I298 HydrophobicContact CG2-CD1 3.66Å; T37-I298 HydrophobicContact CG2-CG1 4.1Å; W47-I298 HydrophobicContact CD2-CD1 4.11Å; W47-I298 HydrophobicContact CG-CD1 4.42Å; W47-I298 HydrophobicContact CZ2-CD1 3.85Å; L54-I298 HydrophobicContact CD1-CB 4.03Å; L54-I298 HydrophobicContact CD1-CD1 4.14Å; L54-I298 HydrophobicContact CD1-CG2 3.62Å; V290-I298 HydrophobicContact CG2-CG2 3.45Å; V290-I298 VanDerWaalsContact CG2-CG2 3.45Å; S291-I298 WeakPolarHBondContact O-CA 3.3Å; V292-I298 HydrophobicContact CG1-CB 4.36Å; V292-I298 HydrophobicContact CG1-CG1 3.96Å; V292-I298 HydrophobicContact CG1-CG2 4.15Å; I298-I300 HydrophobicContact CG2-CD1 4.36Å
299	H	98.8	Very high	95.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.7	174.1	-69.1	153.3	0	0	0	111.1	I7 K10 D272 H273 V290 S291 E297 Y301	I7-H299 HydrophobicContact CD1-CB 4.02Å; K10-H299 WeakPolarHBondContact CD-NE2 3.39Å; K10-H299 WeakPolarHBondContact CE-NE2 3.2Å; K10-H299 VanDerWaalsContact CG-CD2 3.47Å; K10-H299 WeakPolarHBondContact CG-CD2 3.47Å; D272-H299 PolarHBondContact O-CE1 3.26Å; H273-H299 AromaticContact CD2-ND1 3.35Å; H273-H299 PolarHBondContact CD2-ND1 3.09Å; H273-H299 VanDerWaalsContact CD2-ND1 3.35Å; H273-H299 AromaticContact CE1-CE1 3.89Å; H273-H299 AromaticContact CE1-CG 4Å; H273-H299 AromaticContact CE1-ND1 3.36Å; H273-H299 PolarHBondContact CE1-ND1 3.22Å; H273-H299 AromaticContact CG-CE1 3.89Å; H273-H299 AromaticContact CG-ND1 3.56Å; H273-H299 AromaticContact ND1-CE1 3.74Å; H273-H299 AromaticContact ND1-ND1 3.56Å; H273-H299 AromaticContact NE2-CG 3.83Å; H273-H299 AromaticContact NE2-ND1 3.21Å; H273-H299 PolarHBondContact NE2-ND1 3.26Å; V290-H299 CarbonylContact C-O 3.59Å; V290-H299 VanDerWaalsContact CA-O 3.27Å; V290-H299 WeakPolarHBondContact CA-O 3.5Å; S291-H299 PolarHBondContact N-O 3.49Å; S291-H299 PolarHBondContact O-N 2.71Å; E297-H299 IonicContact OE2-CE1 3.5Å; E297-H299 PolarHBondContact OE2-CE1 3.4Å; E297-H299 IonicContact OE2-NE2 3.72Å; E297-H299 PolarHBondContact OE2-NE2 3.38Å; H299-Y301 HydrophobicContact CB-CE1 4.16Å; H299-Y301 HydrophobicContact CB-CE2 3.79Å; H299-Y301 VanDerWaalsContact CB-CZ 3.48Å; H299-Y301 VanDerWaalsContact CB-OH 3.26Å; H299-Y301 WeakPolarHBondContact CB-OH 3.33Å; H299-Y301 PolarHBondContact ND1-OH 2.7Å
300	I	98.4	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.1	172.4	-51.9	-67.5	0	0	0	108.5	L8 F9 W24 W49 L54 K288 I289 V290 I298	L8-I300 WeakPolarHBondContact CA-O 3.46Å; L8-I300 WeakPolarHBondContact CB-O 3.38Å; L8-I300 PolarHBondContact N-O 2.86Å; F9-I300 HydrophobicContact CB-CB 4.21Å; F9-I300 HydrophobicContact CB-CG1 4.47Å; F9-I300 HydrophobicContact CD1-CG1 4.44Å; F9-I300 PolarHBondContact N-O 3.42Å; F9-I300 VanDerWaalsContact N-O 3.13Å; F9-I300 PolarHBondContact O-N 3.33Å; W24-I300 HydrophobicContact CH2-CD1 3.79Å; W24-I300 HydrophobicContact CH2-CG2 3.78Å; W24-I300 HydrophobicContact CZ3-CD1 3.65Å; W24-I300 HydrophobicContact CZ3-CG2 4.16Å; W49-I300 HydrophobicContact CE3-CG1 4.05Å; W49-I300 HydrophobicContact CE3-CG2 4.47Å; W49-I300 HydrophobicContact CH2-CB 3.95Å; W49-I300 HydrophobicContact CH2-CG1 4.18Å; W49-I300 HydrophobicContact CH2-CG2 3.64Å; W49-I300 HydrophobicContact CZ2-CG2 3.83Å; W49-I300 HydrophobicContact CZ3-CB 3.98Å; W49-I300 HydrophobicContact CZ3-CG1 3.68Å; W49-I300 HydrophobicContact CZ3-CG2 3.99Å; L54-I300 HydrophobicContact CD1-CD1 4.32Å; L54-I300 HydrophobicContact CD1-CG1 4.21Å; L54-I300 HydrophobicContact CG-CG1 4.41Å; K288-I300 HydrophobicContact CB-CG2 4.46Å; K288-I300 HydrophobicContact CD-CG2 4.41Å; I289-I300 CarbonylContact O-C 3.51Å; I289-I300 WeakPolarHBondContact O-CA 3.41Å; V290-I300 HydrophobicContact CB-CD1 3.66Å; V290-I300 HydrophobicContact CG2-CD1 3.57Å; I298-I300 HydrophobicContact CG2-CD1 4.36Å
301	Y	97.9	Very high	95.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.9	-179.9	-45	-89.7	0	0	0	111.2	G6 I7 F270 D272 K288 I289 S291 H299	G6-Y301 CarbonylContact O-C 3.55Å; G6-Y301 VanDerWaalsContact O-CA 3.3Å; G6-Y301 WeakPolarHBondContact O-CA 3.33Å; I7-Y301 HydrophobicContact CB-CD1 4.1Å; I7-Y301 HydrophobicContact CB-CE1 4.41Å; I7-Y301 HydrophobicContact CD1-CD1 4.18Å; I7-Y301 HydrophobicContact CD1-CE1 3.76Å; I7-Y301 HydrophobicContact CG1-CD1 4.28Å; I7-Y301 HydrophobicContact CG1-CE1 4.36Å; F270-Y301 HydrophobicContact CB-CD1 4.12Å; F270-Y301 HydrophobicContact CB-CE1 3.63Å; F270-Y301 AromaticContact CD1-CD1 3.31Å; F270-Y301 HydrophobicContact CD1-CD1 3.31Å; F270-Y301 AromaticContact CD1-CE1 3.73Å; F270-Y301 HydrophobicContact CD1-CE1 3.73Å; F270-Y301 HydrophobicContact CD1-CG 4.03Å; F270-Y301 HydrophobicContact CD2-CD1 4.07Å; F270-Y301 HydrophobicContact CD2-CD2 4.45Å; F270-Y301 HydrophobicContact CD2-CE1 4.27Å; F270-Y301 HydrophobicContact CD2-CG 4.15Å; F270-Y301 AromaticContact CE1-CD1 3.59Å; F270-Y301 HydrophobicContact CE1-CD1 3.59Å; F270-Y301 HydrophobicContact CE1-CE1 4.43Å; F270-Y301 AromaticContact CE1-CG 3.93Å; F270-Y301 HydrophobicContact CE1-CG 3.93Å; F270-Y301 HydrophobicContact CE2-CD1 4.29Å; F270-Y301 HydrophobicContact CE2-CD2 4.5Å; F270-Y301 HydrophobicContact CE2-CG 4.06Å; F270-Y301 AromaticContact CG-CD1 3.57Å; F270-Y301 HydrophobicContact CG-CD1 3.57Å; F270-Y301 AromaticContact CG-CE1 3.62Å; F270-Y301 HydrophobicContact CG-CE1 3.62Å; F270-Y301 HydrophobicContact CG-CG 4.13Å; F270-Y301 HydrophobicContact CZ-CD1 4.07Å; F270-Y301 AromaticContact CZ-CG 3.94Å; F270-Y301 HydrophobicContact CZ-CG 3.94Å; D272-Y301 HydrophobicContact CB-CE1 4.2Å; D272-Y301 WeakPolarHBondContact OD2-CE1 3.27Å; K288-Y301 VanDerWaalsContact CA-O 3.29Å; K288-Y301 WeakPolarHBondContact CA-O 3.27Å; I289-Y301 HydrophobicContact CB-CD2 4.03Å; I289-Y301 HydrophobicContact CG2-CD2 3.96Å; I289-Y301 HydrophobicContact CG2-CE2 4.47Å; I289-Y301 PolarHBondContact N-O 3.16Å; I289-Y301 VanDerWaalsContact N-O 3.14Å; I289-Y301 PolarHBondContact O-N 2.86Å; S291-Y301 WeakPolarHBondContact OG-CE2 3.24Å; S291-Y301 PolarHBondContact OG-OH 2.73Å; H299-Y301 HydrophobicContact CB-CE1 4.16Å; H299-Y301 HydrophobicContact CB-CE2 3.79Å; H299-Y301 VanDerWaalsContact CB-CZ 3.48Å; H299-Y301 VanDerWaalsContact CB-OH 3.26Å; H299-Y301 WeakPolarHBondContact CB-OH 3.33Å; H299-Y301 PolarHBondContact ND1-OH 2.7Å
302	D	96	Very high	95	Very high	19 Å²	19	23.4 Å²	23.4	10%	0.102	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	134	165.6	-151.7	25	0	0	0	109.4	G6 L8 K288	G6-D302 PolarHBondContact O-N 3.3Å; L8-D302 HydrophobicContact CD1-CB 3.71Å; L8-D302 HydrophobicContact CD2-CB 3.98Å; L8-D302 HydrophobicContact CG-CB 3.76Å; K288-D302 IonicContact NZ-OD1 2.7Å
303	C	91.9	Very high	94.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.131	C	C	.	.			trans	-122.1	91.6	176.8	-155.8	0	0	0	0	108.1	Y5 Y282 S287 I289 I305	Y5-C303 VanDerWaalsContact CE1-SG 3.56Å; Y282-C303 HydrophobicContact CE1-CB 4.23Å; S287-C303 WeakPolarHBondContact CA-O 3.47Å; S287-C303 PolarHBondContact O-N 3.44Å; I289-C303 HydrophobicContact CD1-CB 4.09Å; I289-C303 HydrophobicContact CG1-CB 4.26Å; C303-I305 VanDerWaalsContact C-N 3.33Å; C303-I305 HydrophobicContact CB-CD1 4.21Å; C303-I305 HydrophobicContact CB-CG1 4.04Å; C303-I305 WeakPolarHBondContact O-CG1 3.32Å; C303-I305 PolarHBondContact O-N 3.36Å; C303-I305 WeakPolarHBondContact SG-CD1 3.4Å; C303-I305 WeakPolarHBondContact SG-CG1 3.24Å
304	P	83.7	Confident	94.4	Very high	38 Å²	38	27.3 Å²	27.3	25%	0.247	14%	0.142	C	C	.	.			trans	-73.2	88.9	176	30.1	-35.2	0	0	0	110	N3 Y5	N3-P304 HydrophobicContact CB-CB 3.66Å; N3-P304 WeakPolarHBondContact O-CB 3.41Å; N3-P304 WeakPolarHBondContact O-CG 3.38Å; Y5-P304 HydrophobicContact CD1-CG 4.33Å; Y5-P304 HydrophobicContact CD2-CG 4.02Å; Y5-P304 HydrophobicContact CE1-CG 4.4Å; Y5-P304 HydrophobicContact CE2-CG 4.1Å; Y5-P304 HydrophobicContact CG-CG 4.13Å
305	I	72.6	Confident	94	Very high	109 Å²	109	26 Å²	26	56%	0.559	14%	0.135	S	C	*	.			trans	-126.1	0	174.1	15.3	178.5	0	0	0	109.7	C241 H246 Y282 G286 C303	C241-I305 HydrophobicContact CB-CD1 4.33Å; C241-I305 WeakPolarHBondContact SG-CD1 3.31Å; H246-I305 HydrophobicContact CB-CD1 4.48Å; H246-I305 WeakPolarHBondContact CE1-CG2 3.47Å; H246-I305 WeakPolarHBondContact ND1-CG2 3.35Å; Y282-I305 HydrophobicContact CE1-CD1 3.91Å; G286-I305 WeakPolarHBondContact O-CD1 3.31Å; C303-I305 VanDerWaalsContact C-N 3.33Å; C303-I305 HydrophobicContact CB-CD1 4.21Å; C303-I305 HydrophobicContact CB-CG1 4.04Å; C303-I305 WeakPolarHBondContact O-CG1 3.32Å; C303-I305 PolarHBondContact O-N 3.36Å; C303-I305 WeakPolarHBondContact SG-CD1 3.4Å; C303-I305 WeakPolarHBondContact SG-CG1 3.24Å

Retrieved 305 of 305 residues in 93 ms (Link to these results)

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