A0A3Q0KQ47_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQ47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 877 aa.

						>A0A3Q0KQ47_SCHMA|A0A3Q0KQ47
MDCMTCHRINFYEYQPSPFLCLARSKCGLIAAGRSDGSVDVYDENRNFFIVAHFPRRICCSVESLVWMQSRLFCTGALGRLLELDLQTSSIKGSCLLVGSPVARCMTVFEDNIVVGSDEGFITFFSTDKTDPAPKLTIPKLSGKILSVACTHQDEGILATGTSTGSLLLISIRDSVSKVMFTLTESNKSCLIWALLFAGGFLFSGDSRGVVCIWDASVGGQLYSFSCHHADVLALASNLDGSIIFSGGADAIIRRFEFSVSETGDGQWQCSGVIRGSRRDIHGLAFIPGHHHDPSAESSFSDVRFEPHRLLAVGQDACLLVMSCESIEKGVGVFALAEKTLAVNVGIPQDEQIADNGYVAALPFWPASVAPSHPSPGYFVTLPIGSVHGTFGGQAGASRHLCLLHYPDKLCLVRLGQPLTSGHKKVFKKYYSINLGPLQVIEIHPSKGMEFIKSSLSPCGSFIVYSDFKRTRLLKLDVAFKNKGRSFCLSKAKVKPVEWSSNSHDSICGSTKSRNKRVRLDSWSKSSSNTSSSETETDTEEILQDADILQYFTMDKSLQLSGGKDQRRLSIEDLSDTEQKKLNAITVPPSCLMAFTPKSEHLLLVTQKRGKFVCMSVENGSILWDRNIGEDDALDVRAHIMSVSNILTDCGYLIGLGCSDARVRLYDSPTGSILFTCSCIDSVSGHSPLPVSIAFPNISEQSAESPITTLSKHRFSVLYTNGQLREWKITIKQSNNVNNSDESDHPTSPPVTTKNIIDVGLNKWLVKFWRTMGEEISRSLGVFHSVNYIEPNKWLLASNRFLVVLVSHKNYELGMIKKILTYKRTVDDDYCLYICENVKNIIQTEVLSESEIAVVSIDSRNITPQLAPPLQRKLYGT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.5	Very low	76.4	Confident	133 Å²	133	70.4 Å²	70.4	66%	0.655	37%	0.369	S	S	*	.				0	128.2	0	-87	-166.8	-178.8	0	0	109.5	V804 Y833	M1-V804 HydrophobicContact CE-CB 3.69Å; M1-V804 HydrophobicContact CE-CG1 3.76Å; M1-V804 HydrophobicContact CE-CG2 3.91Å; M1-Y833 HydrophobicContact CE-CD1 3.93Å; M1-Y833 HydrophobicContact CE-CD2 3.57Å; M1-Y833 HydrophobicContact CE-CE1 4.49Å; M1-Y833 HydrophobicContact CE-CE2 4.18Å; M1-Y833 HydrophobicContact CE-CG 3.42Å; M1-Y833 VanDerWaalsContact CE-CG 3.42Å
2	D	52.6	Low	77.2	Confident	158 Å²	158	66.2 Å²	66.2	85%	0.845	35%	0.345	S	S	*	.			trans	-59.2	138.1	162.9	-66.1	-42.6	0	0	0	109.6	M4	D2-M4 PolarHBondContact O-N 3.05Å
3	C	62.3	Low	77.4	Confident	104 Å²	104	67.2 Å²	67.2	70%	0.703	35%	0.347	S	S	*	.			trans	-62.4	100.7	-177.2	-81.4	0	0	0	0	111.2
4	M	76.3	Confident	77.4	Confident	66 Å²	66	63.8 Å²	63.8	33%	0.325	33%	0.327	S	S	.	.			trans	-67.8	136.6	164.5	-73.8	-175.8	167	0	0	110.5	D2 I789 E849 S850 I852	D2-M4 PolarHBondContact O-N 3.05Å; M4-I789 HydrophobicContact CE-CB 4.33Å; M4-I789 HydrophobicContact CE-CD1 3.88Å; M4-I789 HydrophobicContact CE-CG1 4.11Å; M4-I789 HydrophobicContact CE-CG2 3.3Å; M4-I789 HydrophobicContact SD-CD1 4.13Å; M4-E849 WeakPolarHBondContact CE-O 3.49Å; M4-S850 CarbonylContact C-O 3.59Å; M4-S850 VanDerWaalsContact CA-O 3.31Å; M4-S850 WeakPolarHBondContact CA-O 3.44Å; M4-I852 HydrophobicContact SD-CG2 4.22Å
5	T	81.7	Confident	77.2	Confident	23 Å²	23	66.3 Å²	66.3	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.5	171.6	73.3	0	0	0	0	109.5	Y431 S850 E851 I852	T5-Y431 HydrophobicContact CG2-CE2 3.92Å; T5-S850 PolarHBondContact N-O 3.03Å; T5-E851 WeakPolarHBondContact O-CA 3.02Å; T5-E851 WeakPolarHBondContact OG1-CG 3.15Å; T5-I852 PolarHBondContact O-N 3.23Å
6	C	86.7	Confident	77.2	Confident	57 Å²	57	64.4 Å²	64.4	39%	0.385	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	115.3	-177.4	177.1	0	0	0	0	110	R8 I852 V854	C6-R8 PolarHBondContact O-N 3.23Å; C6-I852 CarbonylContact C-O 3.58Å; C6-I852 WeakPolarHBondContact CA-O 3.47Å; C6-I852 HydrophobicContact CB-CD1 4.18Å; C6-I852 HydrophobicContact CB-CG1 3.87Å; C6-V854 VanDerWaalsContact SG-CG2 3.51Å
7	H	88.1	Confident	77.6	Confident	26 Å²	26	61 Å²	61	12%	0.12	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	97.5	167.4	-64.9	-92.7	0	0	0	109.2	L415 G416 I852 A853 V854	H7-L415 HydrophobicContact CB-CD1 4.22Å; H7-G416 PolarHBondContact CE1-O 3.23Å; H7-I852 PolarHBondContact N-O 2.82Å; H7-A853 HydrophobicContact CB-CB 4.42Å; H7-V854 PolarHBondContact O-N 2.79Å
8	R	87.7	Confident	78.2	Confident	95 Å²	95	58 Å²	58	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.9	176.3	-172.1	177.6	-180	-176	-2.9	110.8	C6 N10 S856	C6-R8 PolarHBondContact O-N 3.23Å; R8-N10 VanDerWaalsContact CG-OD1 3.25Å; R8-N10 WeakPolarHBondContact CG-OD1 3.46Å; R8-N10 PolarHBondContact NE-ND2 3.08Å; R8-N10 PolarHBondContact NE-OD1 2.98Å; R8-S856 PolarHBondContact NE-OG 2.85Å; R8-S856 VanDerWaalsContact NE-OG 3.16Å
9	I	89	Confident	78.8	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	99.4	178.9	-64.6	160.9	0	0	0	108.2	F11 F379 L415 V854 V855 S856	I9-F11 HydrophobicContact CB-CE1 4.34Å; I9-F11 HydrophobicContact CB-CZ 4.4Å; I9-F11 HydrophobicContact CG1-CE1 4.26Å; I9-F11 HydrophobicContact CG1-CZ 4.17Å; I9-F11 HydrophobicContact CG2-CD1 4.24Å; I9-F11 HydrophobicContact CG2-CD2 4.18Å; I9-F11 HydrophobicContact CG2-CE1 3.88Å; I9-F11 HydrophobicContact CG2-CE2 3.82Å; I9-F11 HydrophobicContact CG2-CG 4.38Å; I9-F11 HydrophobicContact CG2-CZ 3.65Å; I9-F379 HydrophobicContact CD1-CE1 3.37Å; I9-F379 HydrophobicContact CD1-CZ 3.61Å; I9-L415 HydrophobicContact CD1-CD2 3.84Å; I9-L415 HydrophobicContact CG1-CD2 4.19Å; I9-V854 PolarHBondContact N-O 3.41Å; I9-V855 HydrophobicContact CB-CG2 4.42Å; I9-V855 HydrophobicContact CD1-CG2 4.29Å; I9-S856 PolarHBondContact O-N 2.94Å; I9-S856 VanDerWaalsContact O-O 3.12Å
10	N	86.8	Confident	79.5	Confident	33 Å²	33	54.3 Å²	54.3	18%	0.176	28%	0.28	C	S	.	.			trans	-103.8	-2.2	178.9	-77.2	2.6	0	0	0	113.6	R8 Y12 S856 D858 N861	R8-N10 VanDerWaalsContact CG-OD1 3.25Å; R8-N10 WeakPolarHBondContact CG-OD1 3.46Å; R8-N10 PolarHBondContact NE-ND2 3.08Å; R8-N10 PolarHBondContact NE-OD1 2.98Å; N10-Y12 VanDerWaalsContact C-N 3.3Å; N10-S856 PolarHBondContact OD1-OG 3.45Å; N10-D858 HydrophobicContact CB-CB 4.14Å; N10-N861 PolarHBondContact O-ND2 3.1Å
11	F	85.1	Confident	80.2	Confident	77 Å²	77	52.3 Å²	52.3	34%	0.338	27%	0.271	S	S	.	.			trans	-92.8	11.9	-179.8	55.2	-97.8	0	0	0	112.4	I9 E13 L404 V413 P437	I9-F11 HydrophobicContact CB-CE1 4.34Å; I9-F11 HydrophobicContact CB-CZ 4.4Å; I9-F11 HydrophobicContact CG1-CE1 4.26Å; I9-F11 HydrophobicContact CG1-CZ 4.17Å; I9-F11 HydrophobicContact CG2-CD1 4.24Å; I9-F11 HydrophobicContact CG2-CD2 4.18Å; I9-F11 HydrophobicContact CG2-CE1 3.88Å; I9-F11 HydrophobicContact CG2-CE2 3.82Å; I9-F11 HydrophobicContact CG2-CG 4.38Å; I9-F11 HydrophobicContact CG2-CZ 3.65Å; F11-E13 PolarHBondContact O-N 3.38Å; F11-L404 HydrophobicContact CD2-CD1 3.87Å; F11-L404 HydrophobicContact CE2-CD1 3.58Å; F11-V413 HydrophobicContact CE2-CB 4.46Å; F11-V413 HydrophobicContact CE2-CG1 4.05Å; F11-V413 HydrophobicContact CE2-CG2 4.15Å; F11-V413 HydrophobicContact CZ-CG1 3.92Å; F11-P437 HydrophobicContact CE1-CB 4.23Å; F11-P437 HydrophobicContact CE1-CG 4.25Å; F11-P437 HydrophobicContact CZ-CB 4.39Å
12	Y	85.1	Confident	82.7	Confident	20 Å²	20	47.1 Å²	47.1	8%	0.078	25%	0.245	C	C	.	.			trans	-71.6	116.1	169.9	-175.4	-104.3	0	0	0	109.4	N10 Y14 P376 L404 H405 Y406 I842 V855	N10-Y12 VanDerWaalsContact C-N 3.3Å; Y12-Y14 PolarHBondContact O-N 3.1Å; Y12-P376 HydrophobicContact CD2-CB 4.39Å; Y12-P376 HydrophobicContact CE1-CB 4.19Å; Y12-P376 HydrophobicContact CE2-CB 3.89Å; Y12-L404 HydrophobicContact CD2-CD1 4.42Å; Y12-L404 HydrophobicContact CD2-CD2 4.07Å; Y12-H405 WeakPolarHBondContact CE2-O 3.25Å; Y12-H405 PolarHBondContact OH-O 3.1Å; Y12-Y406 WeakPolarHBondContact CA-OH 3.3Å; Y12-Y406 AromaticContact CD2-CE1 3.62Å; Y12-Y406 HydrophobicContact CD2-CE1 3.62Å; Y12-Y406 AromaticContact CD2-CZ 3.68Å; Y12-Y406 WeakPolarHBondContact CD2-OH 3.32Å; Y12-Y406 AromaticContact CE2-CD1 3.94Å; Y12-Y406 HydrophobicContact CE2-CD1 3.94Å; Y12-Y406 AromaticContact CE2-CE1 3.41Å; Y12-Y406 HydrophobicContact CE2-CE1 3.41Å; Y12-Y406 VanDerWaalsContact CE2-CE1 3.41Å; Y12-Y406 AromaticContact CE2-CZ 3.78Å; Y12-Y406 HydrophobicContact CG-CE1 4.29Å; Y12-Y406 AromaticContact CZ-CE1 3.93Å; Y12-I842 HydrophobicContact CD1-CD1 3.73Å; Y12-I842 HydrophobicContact CE1-CD1 4.05Å; Y12-V855 HydrophobicContact CD1-CG1 4.45Å; Y12-V855 HydrophobicContact CG-CG1 4.08Å
13	E	80	Confident	84.7	Confident	80 Å²	80	40.1 Å²	40.1	37%	0.374	21%	0.21	S	C	.	.			trans	-82.5	92.7	-177.3	-65.5	-179.1	155.6	0	0	110.9	F11 Y406 K409	F11-E13 PolarHBondContact O-N 3.38Å; E13-Y406 HydrophobicContact CB-CE1 3.87Å; E13-Y406 PolarHBondContact N-OH 2.88Å; E13-Y406 VanDerWaalsContact N-OH 3.15Å; E13-Y406 VanDerWaalsContact O-CE1 3.25Å; E13-Y406 WeakPolarHBondContact O-CE1 3.32Å; E13-K409 IonicContact OE2-NZ 3.91Å; E13-K409 PolarHBondContact OE2-NZ 3.01Å
14	Y	77.4	Confident	86.2	Confident	19 Å²	19	38.7 Å²	38.7	8%	0.075	19%	0.19	C	C	.	.			trans	-88.2	123.6	174.6	178.5	-104.7	0	0	0	111.2	Y12 P16 F364 W365 I857 I862	Y12-Y14 PolarHBondContact O-N 3.1Å; Y14-P16 HydrophobicContact CD1-CB 4.46Å; Y14-P16 HydrophobicContact CE1-CB 3.76Å; Y14-P16 HydrophobicContact CE1-CG 4.27Å; Y14-P16 WeakPolarHBondContact O-CD 3.3Å; Y14-F364 HydrophobicContact CD1-CD1 4.25Å; Y14-F364 AromaticContact CD1-CE1 3.9Å; Y14-F364 HydrophobicContact CD1-CE1 3.9Å; Y14-F364 AromaticContact CE1-CD1 3.77Å; Y14-F364 HydrophobicContact CE1-CD1 3.77Å; Y14-F364 AromaticContact CE1-CE1 3.62Å; Y14-F364 HydrophobicContact CE1-CE1 3.62Å; Y14-W365 AromaticContact CE2-CD1 3.6Å; Y14-W365 HydrophobicContact CE2-CG 4.14Å; Y14-W365 AromaticContact CE2-NE1 3.65Å; Y14-W365 AromaticContact CZ-CD1 3.98Å; Y14-I857 HydrophobicContact CD1-CD1 3.98Å; Y14-I857 HydrophobicContact CD2-CD1 4.5Å; Y14-I857 HydrophobicContact CG-CD1 3.91Å; Y14-I862 HydrophobicContact CD1-CD1 4Å; Y14-I862 HydrophobicContact CG-CD1 4.49Å
15	Q	75.4	Confident	87.1	Confident	102 Å²	102	35.8 Å²	35.8	48%	0.477	18%	0.176	S	C	.	.			trans	-104.6	98.9	174.5	-69.9	-177.1	-7.1	0	0	110.9	R56	Q15-R56 PolarHBondContact O-NH2 2.75Å
16	P	77	Confident	87.3	Confident	35 Å²	35	44.7 Å²	44.7	23%	0.227	21%	0.212	C	C	.	.			trans	-66.8	136.4	172.4	26.4	-31	0	0	0	110.4	Y14 A317 I862 L866	Y14-P16 HydrophobicContact CD1-CB 4.46Å; Y14-P16 HydrophobicContact CE1-CB 3.76Å; Y14-P16 HydrophobicContact CE1-CG 4.27Å; Y14-P16 WeakPolarHBondContact O-CD 3.3Å; P16-A317 HydrophobicContact CB-CB 3.88Å; P16-I862 HydrophobicContact CG-CG2 4.41Å; P16-L866 HydrophobicContact CG-CD2 3.41Å; P16-L866 VanDerWaalsContact CG-CD2 3.41Å
17	S	83.4	Confident	87.3	Confident	7 Å²	7	45 Å²	45	5%	0.049	22%	0.215	C	C	.	.			trans	-114.5	127.5	168.6	176.6	0	0	0	0	110.2	R34 S35 D36 A317	S17-R34 PolarHBondContact O-NH1 2.87Å; S17-S35 PolarHBondContact OG-N 2.68Å; S17-S35 PolarHBondContact OG-OG 2.97Å; S17-S35 VanDerWaalsContact OG-OG 3.12Å; S17-D36 VanDerWaalsContact CB-CG 3.47Å; S17-D36 WeakPolarHBondContact CB-OD2 3.16Å; S17-D36 VanDerWaalsContact OG-CG 3.23Å; S17-D36 PolarHBondContact OG-N 2.72Å; S17-D36 PolarHBondContact OG-OD2 2.83Å; S17-A317 VanDerWaalsContact O-CB 3.31Å; S17-A317 WeakPolarHBondContact O-CB 3.17Å
18	P	87.7	Confident	87.2	Confident	7 Å²	7	43.9 Å²	43.9	5%	0.045	21%	0.21	C	C	.	.			trans	-66.1	155.9	177.6	30.8	-37.5	0	0	0	111.5	R34 S35	P18-R34 CarbonylContact O-C 3.57Å; P18-R34 VanDerWaalsContact O-CA 3.27Å; P18-R34 WeakPolarHBondContact O-CA 3.16Å; P18-S35 VanDerWaalsContact CD-OG 3.32Å; P18-S35 WeakPolarHBondContact CD-OG 3.48Å; P18-S35 WeakPolarHBondContact CG-OG 3.35Å; P18-S35 PolarHBondContact O-N 2.91Å
19	F	90.8	Very high	87.4	Confident	1 Å²	1	40.7 Å²	40.7	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	139.3	174	-69.2	-78.9	0	0	0	110.4	A32 G33 R34 V313 G314	F19-A32 HydrophobicContact CD1-CB 3.62Å; F19-A32 HydrophobicContact CE1-CB 3.51Å; F19-A32 HydrophobicContact CZ-CB 4.44Å; F19-G33 CarbonylContact C-O 3.58Å; F19-G33 WeakPolarHBondContact CA-O 3.48Å; F19-R34 HydrophobicContact CD1-CG 3.61Å; F19-R34 HydrophobicContact CE1-CG 3.61Å; F19-R34 HydrophobicContact CG-CG 4.38Å; F19-R34 HydrophobicContact CZ-CG 4.4Å; F19-R34 VanDerWaalsContact CZ-NH2 3.25Å; F19-V313 HydrophobicContact CB-CB 3.54Å; F19-V313 HydrophobicContact CB-CG1 4.32Å; F19-V313 HydrophobicContact CB-CG2 3.84Å; F19-V313 HydrophobicContact CD2-CB 4.16Å; F19-V313 HydrophobicContact CD2-CG1 4.31Å; F19-V313 HydrophobicContact CG-CB 3.94Å; F19-V313 HydrophobicContact CG-CG1 4.22Å; F19-G314 PolarHBondContact N-O 3.16Å; F19-G314 CarbonylContact O-C 3.43Å; F19-G314 WeakPolarHBondContact O-CA 3.42Å
20	L	92.9	Very high	87.6	Confident	41 Å²	41	40.6 Å²	40.6	22%	0.215	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-27.8	178.8	-64.3	-177.3	0	0	0	113	G33 H282	L20-G33 PolarHBondContact N-O 3.1Å; L20-H282 WeakPolarHBondContact O-CB 3.33Å
21	C	94.7	Very high	88.1	Confident	12 Å²	12	39 Å²	39	8%	0.081	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.9	-177.8	57.2	0	0	0	0	112	A32 G33 E63	C21-A32 WeakPolarHBondContact O-CA 3.39Å; C21-G33 PolarHBondContact O-N 3.11Å; C21-E63 WeakPolarHBondContact CB-O 3.31Å
22	L	95.4	Very high	88.5	Confident	24 Å²	24	35.3 Å²	35.3	13%	0.126	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.1	-178.9	-173.3	68.1	0	0	0	109	I30 A31 A32 A285 L311 V313 L319	L22-I30 HydrophobicContact CD1-CG2 3.44Å; L22-I30 VanDerWaalsContact CD1-CG2 3.44Å; L22-I30 HydrophobicContact CG-CG2 4.35Å; L22-A31 CarbonylContact C-O 3.57Å; L22-A31 WeakPolarHBondContact CA-O 3.34Å; L22-A32 HydrophobicContact CD1-CB 3.9Å; L22-A285 HydrophobicContact CD2-CB 3.6Å; L22-A285 HydrophobicContact CG-CB 4.22Å; L22-L311 HydrophobicContact CD2-CB 3.82Å; L22-L311 HydrophobicContact CD2-CD1 4.38Å; L22-V313 HydrophobicContact CB-CG2 3.76Å; L22-V313 HydrophobicContact CD1-CG1 3.93Å; L22-V313 HydrophobicContact CD2-CG1 4.28Å; L22-V313 HydrophobicContact CD2-CG2 4.44Å; L22-V313 HydrophobicContact CG-CG2 4.49Å; L22-L319 HydrophobicContact CD1-CD1 4.27Å
23	A	95.7	Very high	88.9	Confident	12 Å²	12	34.4 Å²	34.4	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.2	175.1	0	0	0	0	0	110.2	I30 A31 L65 W67	A23-I30 CarbonylContact O-C 3.49Å; A23-I30 WeakPolarHBondContact O-CA 3.39Å; A23-A31 PolarHBondContact N-O 2.9Å; A23-A31 PolarHBondContact O-N 2.65Å; A23-L65 HydrophobicContact CB-CB 3.78Å; A23-L65 WeakPolarHBondContact CB-O 3.48Å; A23-W67 PolarHBondContact O-NE1 2.78Å
24	R	94.2	Very high	89.4	Confident	74 Å²	74	31.7 Å²	31.7	28%	0.279	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.5	177	-178.4	172.6	173.9	-101.3	-15.4	110.1	L29 I30 E44 W67 A285 F286 P288	R24-L29 CarbonylContact C-O 3.46Å; R24-I30 HydrophobicContact CB-CG1 4.44Å; R24-I30 HydrophobicContact CG-CG1 4.15Å; R24-E44 IonicContact CZ-OE1 3.6Å; R24-E44 IonicContact CZ-OE2 3.43Å; R24-E44 IonicContact NE-OE1 2.77Å; R24-E44 PolarHBondContact NE-OE1 2.94Å; R24-E44 IonicContact NE-OE2 3.7Å; R24-E44 PolarHBondContact NE-OE2 3.41Å; R24-E44 IonicContact NH2-OE1 3.65Å; R24-E44 PolarHBondContact NH2-OE1 2.91Å; R24-E44 IonicContact NH2-OE2 3.3Å; R24-W67 VanDerWaalsContact C-CD1 3.45Å; R24-A285 HydrophobicContact CB-CB 4.28Å; R24-F286 WeakPolarHBondContact CD-O 3.12Å; R24-F286 PolarHBondContact NH1-O 3.39Å; R24-P288 VanDerWaalsContact NH1-CD 3.34Å
25	S	93.5	Very high	90	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.028	17%	0.173	C	C	.	.			trans	-87.2	163.2	174.7	82.5	0	0	0	0	111	C27 G28 L29	S25-C27 PolarHBondContact O-N 3.39Å; S25-C27 PolarHBondContact OG-N 3.1Å; S25-C27 PolarHBondContact OG-SG 2.63Å; S25-G28 PolarHBondContact O-N 2.89Å; S25-G28 PolarHBondContact OG-N 2.69Å; S25-L29 PolarHBondContact N-O 3.45Å; S25-L29 WeakPolarHBondContact OG-CB 3.28Å; S25-L29 PolarHBondContact OG-N 2.9Å; S25-L29 PolarHBondContact OG-O 3.31Å
26	K	87.1	Confident	90.5	Very high	210 Å²	210	30.3 Å²	30.3	91%	0.913	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.2	174	-66.7	-175.9	178.8	179.7	0	113.4
27	C	86.1	Confident	91.1	Very high	65 Å²	65	28.6 Å²	28.6	44%	0.439	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	5.4	179.6	59.5	0	0	0	0	113.9	S25	S25-C27 PolarHBondContact O-N 3.39Å; S25-C27 PolarHBondContact OG-N 3.1Å; S25-C27 PolarHBondContact OG-SG 2.63Å
28	G	86.6	Confident	91.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	15%	0.147	C	C	.	.	S	Bend	trans	85.5	17.8	177.9	0	0	0	0	0	115.2	S25 E44	S25-G28 PolarHBondContact O-N 2.89Å; S25-G28 PolarHBondContact OG-N 2.69Å; G28-E44 VanDerWaalsContact CA-CD 3.42Å; G28-E44 WeakPolarHBondContact CA-OE1 3.2Å; G28-E44 WeakPolarHBondContact O-CB 3.22Å; G28-E44 VanDerWaalsContact O-CG 3.26Å; G28-E44 WeakPolarHBondContact O-CG 3.48Å; G28-E44 PolarHBondContact O-N 3.4Å
29	L	92.1	Very high	91.7	Very high	28 Å²	28	28.1 Å²	28.1	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	139.9	167.9	-61.3	178.5	0	0	0	110.1	R24 S25 V41 Y42 D43 V51 W67 L86	R24-L29 CarbonylContact C-O 3.46Å; S25-L29 PolarHBondContact N-O 3.45Å; S25-L29 WeakPolarHBondContact OG-CB 3.28Å; S25-L29 PolarHBondContact OG-N 2.9Å; S25-L29 PolarHBondContact OG-O 3.31Å; L29-V41 HydrophobicContact CB-CG1 4.31Å; L29-Y42 CarbonylContact C-O 3.59Å; L29-Y42 WeakPolarHBondContact CA-O 3.32Å; L29-D43 HydrophobicContact CD2-CB 4.02Å; L29-V51 HydrophobicContact CD2-CG2 4.06Å; L29-W67 HydrophobicContact CB-CH2 3.88Å; L29-W67 HydrophobicContact CB-CZ2 3.83Å; L29-W67 HydrophobicContact CD1-CH2 3.96Å; L29-W67 HydrophobicContact CD1-CZ3 4.29Å; L29-L86 HydrophobicContact CD1-CD1 4.06Å
30	I	93.5	Very high	91.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.2	179.7	-62.1	150.9	0	0	0	107.6	L22 A23 R24 V41 Y42 E44 F48 I287 L311	L22-I30 HydrophobicContact CD1-CG2 3.44Å; L22-I30 VanDerWaalsContact CD1-CG2 3.44Å; L22-I30 HydrophobicContact CG-CG2 4.35Å; A23-I30 CarbonylContact O-C 3.49Å; A23-I30 WeakPolarHBondContact O-CA 3.39Å; R24-I30 HydrophobicContact CB-CG1 4.44Å; R24-I30 HydrophobicContact CG-CG1 4.15Å; I30-V41 CarbonylContact O-C 3.56Å; I30-V41 VanDerWaalsContact O-CA 3.31Å; I30-V41 WeakPolarHBondContact O-CA 3.05Å; I30-Y42 PolarHBondContact N-O 3.06Å; I30-Y42 PolarHBondContact O-N 3.46Å; I30-E44 HydrophobicContact CD1-CB 3.71Å; I30-F48 HydrophobicContact CD1-CD1 3.83Å; I30-F48 HydrophobicContact CD1-CE1 3.49Å; I30-F48 VanDerWaalsContact CD1-CE1 3.49Å; I30-I287 HydrophobicContact CD1-CD1 4.35Å; I30-L311 HydrophobicContact CD1-CD1 3.47Å; I30-L311 VanDerWaalsContact CD1-CD1 3.47Å; I30-L311 HydrophobicContact CG1-CD1 3.94Å; I30-L311 HydrophobicContact CG2-CD1 3.95Å
31	A	95.6	Very high	91.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.1	172.4	0	0	0	0	0	109.6	L22 A23 V39 D40 V41 L65 W67 L72	L22-A31 CarbonylContact C-O 3.57Å; L22-A31 WeakPolarHBondContact CA-O 3.34Å; A23-A31 PolarHBondContact N-O 2.9Å; A23-A31 PolarHBondContact O-N 2.65Å; A31-V39 HydrophobicContact CB-CG1 4.49Å; A31-D40 CarbonylContact C-O 3.43Å; A31-D40 WeakPolarHBondContact CA-O 3.4Å; A31-V41 HydrophobicContact CB-CG2 4.25Å; A31-L65 HydrophobicContact CB-CD1 4.03Å; A31-W67 HydrophobicContact CB-CZ2 3.7Å; A31-L72 HydrophobicContact CB-CD1 3.6Å; A31-L72 HydrophobicContact CB-CD2 3.86Å; A31-L72 HydrophobicContact CB-CG 4.41Å
32	A	93.9	Very high	91.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.8	175.8	0	0	0	0	0	110	F19 C21 L22 V39 D40 Y42	F19-A32 HydrophobicContact CD1-CB 3.62Å; F19-A32 HydrophobicContact CE1-CB 3.51Å; F19-A32 HydrophobicContact CZ-CB 4.44Å; C21-A32 WeakPolarHBondContact O-CA 3.39Å; L22-A32 HydrophobicContact CD1-CB 3.9Å; A32-V39 WeakPolarHBondContact O-CA 3.23Å; A32-D40 PolarHBondContact N-O 3.25Å; A32-D40 PolarHBondContact O-N 2.88Å; A32-Y42 HydrophobicContact CB-CE2 4.08Å
33	G	94.1	Very high	90.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.6	-177.8	0	0	0	0	0	110.9	F19 L20 C21	F19-G33 CarbonylContact C-O 3.58Å; F19-G33 WeakPolarHBondContact CA-O 3.48Å; L20-G33 PolarHBondContact N-O 3.1Å; C21-G33 PolarHBondContact O-N 3.11Å
34	R	91.3	Very high	90.1	Very high	23 Å²	23	26.2 Å²	26.2	9%	0.087	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	158	-179.1	-64.4	-171	-170.4	-107.9	4.3	112	S17 P18 F19 D36 G37 S38 D40	S17-R34 PolarHBondContact O-NH1 2.87Å; P18-R34 CarbonylContact O-C 3.57Å; P18-R34 VanDerWaalsContact O-CA 3.27Å; P18-R34 WeakPolarHBondContact O-CA 3.16Å; F19-R34 HydrophobicContact CD1-CG 3.61Å; F19-R34 HydrophobicContact CE1-CG 3.61Å; F19-R34 HydrophobicContact CG-CG 4.38Å; F19-R34 HydrophobicContact CZ-CG 4.4Å; F19-R34 VanDerWaalsContact CZ-NH2 3.25Å; R34-D36 VanDerWaalsContact CB-OD1 3.24Å; R34-D36 WeakPolarHBondContact CB-OD1 3.38Å; R34-D36 PolarHBondContact O-N 3.24Å; R34-G37 PolarHBondContact O-N 3.43Å; R34-S38 WeakPolarHBondContact CD-OG 3.36Å; R34-S38 PolarHBondContact N-O 3.46Å; R34-D40 IonicContact CZ-OD2 2.94Å; R34-D40 IonicContact NE-OD2 2.79Å; R34-D40 PolarHBondContact NE-OD2 3.33Å; R34-D40 IonicContact NH2-OD2 3.19Å; R34-D40 PolarHBondContact NH2-OD2 2.93Å
35	S	88.9	Confident	89.2	Confident	59 Å²	59	25.8 Å²	25.8	41%	0.413	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.9	179.8	76.8	0	0	0	0	113.9	S17 P18	S17-S35 PolarHBondContact OG-N 2.68Å; S17-S35 PolarHBondContact OG-OG 2.97Å; S17-S35 VanDerWaalsContact OG-OG 3.12Å; P18-S35 VanDerWaalsContact CD-OG 3.32Å; P18-S35 WeakPolarHBondContact CD-OG 3.48Å; P18-S35 WeakPolarHBondContact CG-OG 3.35Å; P18-S35 PolarHBondContact O-N 2.91Å
36	D	86.9	Confident	88.1	Confident	33 Å²	33	29.2 Å²	29.2	18%	0.176	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.1	174.1	64.5	10.5	0	0	0	113	S17 R34 S38 R56	S17-D36 VanDerWaalsContact CB-CG 3.47Å; S17-D36 WeakPolarHBondContact CB-OD2 3.16Å; S17-D36 VanDerWaalsContact OG-CG 3.23Å; S17-D36 PolarHBondContact OG-N 2.72Å; S17-D36 PolarHBondContact OG-OD2 2.83Å; R34-D36 VanDerWaalsContact CB-OD1 3.24Å; R34-D36 WeakPolarHBondContact CB-OD1 3.38Å; R34-D36 PolarHBondContact O-N 3.24Å; D36-S38 VanDerWaalsContact C-N 3.35Å; D36-S38 WeakPolarHBondContact OD1-CB 3.28Å; D36-S38 PolarHBondContact OD1-N 3.24Å; D36-S38 PolarHBondContact OD1-OG 3.44Å; D36-R56 HydrophobicContact CB-CG 3.91Å; D36-R56 WeakPolarHBondContact O-CA 3.35Å; D36-R56 VanDerWaalsContact O-CB 3.25Å; D36-R56 WeakPolarHBondContact O-CB 3.08Å; D36-R56 IonicContact OD2-CZ 3.84Å; D36-R56 IonicContact OD2-NE 3.23Å; D36-R56 PolarHBondContact OD2-NE 3.32Å; D36-R56 IonicContact OD2-NH2 3.58Å; D36-R56 PolarHBondContact OD2-NH2 2.86Å
37	G	89.5	Confident	87.4	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	85.7	0.2	-179.1	0	0	0	0	0	114.5	R34 C59	R34-G37 PolarHBondContact O-N 3.43Å; G37-C59 WeakPolarHBondContact O-CB 3.47Å
38	S	89.9	Confident	87.1	Confident	4 Å²	4	17.3 Å²	17.3	3%	0.028	9%	0.089	C	C	.	.			trans	-79.1	152.7	174.2	63.2	0	0	0	0	112.5	R34 D36 F54	R34-S38 WeakPolarHBondContact CD-OG 3.36Å; R34-S38 PolarHBondContact N-O 3.46Å; D36-S38 VanDerWaalsContact C-N 3.35Å; D36-S38 WeakPolarHBondContact OD1-CB 3.28Å; D36-S38 PolarHBondContact OD1-N 3.24Å; D36-S38 PolarHBondContact OD1-OG 3.44Å; S38-F54 CarbonylContact C-O 3.56Å; S38-F54 WeakPolarHBondContact CA-O 3.43Å; S38-F54 WeakPolarHBondContact CB-O 3.49Å
39	V	92.8	Very high	86.8	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.3	178.6	-176	0	0	0	0	109.6	A31 A32 V41 H53 F54 V62 L65 L72 L84	A31-V39 HydrophobicContact CB-CG1 4.49Å; A32-V39 WeakPolarHBondContact O-CA 3.23Å; V39-V41 HydrophobicContact CG1-CG2 4.48Å; V39-H53 WeakPolarHBondContact O-CA 3.44Å; V39-F54 HydrophobicContact CB-CB 4.09Å; V39-F54 HydrophobicContact CB-CD2 3.98Å; V39-F54 HydrophobicContact CB-CG 4.4Å; V39-F54 HydrophobicContact CG1-CD2 4.33Å; V39-F54 PolarHBondContact N-O 2.94Å; V39-F54 PolarHBondContact O-N 3.1Å; V39-V62 HydrophobicContact CG2-CB 4.37Å; V39-V62 HydrophobicContact CG2-CG1 4.15Å; V39-V62 HydrophobicContact CG2-CG2 3.68Å; V39-L65 HydrophobicContact CG1-CD1 4.15Å; V39-L65 HydrophobicContact CG1-CD2 4.09Å; V39-L65 HydrophobicContact CG2-CD2 4.36Å; V39-L72 HydrophobicContact CG1-CD2 4.35Å; V39-L84 HydrophobicContact CB-CD1 4.47Å; V39-L84 HydrophobicContact CG1-CD1 4.43Å; V39-L84 HydrophobicContact CG2-CD1 4.26Å
40	D	91.4	Very high	86.5	Confident	4 Å²	4	17 Å²	17	2%	0.021	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.6	174.5	-64.1	-32.4	0	0	0	109.4	A31 A32 R34 Y42 I50 H53	A31-D40 CarbonylContact C-O 3.43Å; A31-D40 WeakPolarHBondContact CA-O 3.4Å; A32-D40 PolarHBondContact N-O 3.25Å; A32-D40 PolarHBondContact O-N 2.88Å; R34-D40 IonicContact CZ-OD2 2.94Å; R34-D40 IonicContact NE-OD2 2.79Å; R34-D40 PolarHBondContact NE-OD2 3.33Å; R34-D40 IonicContact NH2-OD2 3.19Å; R34-D40 PolarHBondContact NH2-OD2 2.93Å; D40-Y42 HydrophobicContact CB-CD2 4.26Å; D40-Y42 HydrophobicContact CB-CE2 3.37Å; D40-Y42 WeakPolarHBondContact CB-OH 3.32Å; D40-Y42 PolarHBondContact OD2-OH 2.94Å; D40-Y42 VanDerWaalsContact OD2-OH 3.1Å; D40-I50 HydrophobicContact CB-CD1 4.42Å; D40-H53 IonicContact OD1-CE1 3.58Å; D40-H53 PolarHBondContact OD1-CE1 2.87Å; D40-H53 IonicContact OD1-CG 3.51Å; D40-H53 IonicContact OD1-ND1 2.92Å; D40-H53 PolarHBondContact OD1-ND1 3.1Å
41	V	92.4	Very high	86	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.3	174.9	-174.9	0	0	0	0	109.6	L29 I30 A31 V39 I50 V51 A52 F54 W67 L72 L86	L29-V41 HydrophobicContact CB-CG1 4.31Å; I30-V41 CarbonylContact O-C 3.56Å; I30-V41 VanDerWaalsContact O-CA 3.31Å; I30-V41 WeakPolarHBondContact O-CA 3.05Å; A31-V41 HydrophobicContact CB-CG2 4.25Å; V39-V41 HydrophobicContact CG1-CG2 4.48Å; V41-I50 CarbonylContact O-C 3.56Å; V41-I50 WeakPolarHBondContact O-CA 3.18Å; V41-V51 HydrophobicContact CB-CG2 4.13Å; V41-V51 HydrophobicContact CG1-CG2 3.73Å; V41-V51 WeakPolarHBondContact O-CG2 3.45Å; V41-V51 PolarHBondContact O-N 3.07Å; V41-A52 HydrophobicContact CB-CB 4.16Å; V41-A52 HydrophobicContact CG2-CB 4.34Å; V41-A52 PolarHBondContact N-O 2.83Å; V41-F54 HydrophobicContact CG2-CE2 4.25Å; V41-W67 HydrophobicContact CG1-CH2 3.94Å; V41-W67 HydrophobicContact CG1-CZ2 3.96Å; V41-L72 HydrophobicContact CG2-CD2 3.74Å; V41-L86 HydrophobicContact CB-CD2 4.36Å; V41-L86 HydrophobicContact CG1-CD2 4.27Å; V41-L86 HydrophobicContact CG2-CD2 3.77Å
42	Y	88.3	Confident	85.6	Confident	11 Å²	11	19.7 Å²	19.7	4%	0.043	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.1	-177.7	-54	-97	0	0	0	110.5	L29 I30 A32 D40 F48 F49 I50 L319 V369	L29-Y42 CarbonylContact C-O 3.59Å; L29-Y42 WeakPolarHBondContact CA-O 3.32Å; I30-Y42 PolarHBondContact N-O 3.06Å; I30-Y42 PolarHBondContact O-N 3.46Å; A32-Y42 HydrophobicContact CB-CE2 4.08Å; D40-Y42 HydrophobicContact CB-CD2 4.26Å; D40-Y42 HydrophobicContact CB-CE2 3.37Å; D40-Y42 WeakPolarHBondContact CB-OH 3.32Å; D40-Y42 PolarHBondContact OD2-OH 2.94Å; D40-Y42 VanDerWaalsContact OD2-OH 3.1Å; Y42-F48 HydrophobicContact CD1-CB 4.35Å; Y42-F48 WeakPolarHBondContact CD1-O 3.25Å; Y42-F49 CarbonylContact C-O 3.53Å; Y42-F49 WeakPolarHBondContact CA-O 3.47Å; Y42-I50 HydrophobicContact CD1-CD1 4.33Å; Y42-I50 HydrophobicContact CD1-CG1 3.59Å; Y42-I50 HydrophobicContact CE1-CD1 3.65Å; Y42-I50 HydrophobicContact CE1-CG1 3.42Å; Y42-I50 VanDerWaalsContact CE1-CG1 3.42Å; Y42-I50 HydrophobicContact CG-CG1 4.37Å; Y42-L319 HydrophobicContact CD1-CD2 4.27Å; Y42-L319 HydrophobicContact CD2-CD2 4.04Å; Y42-L319 HydrophobicContact CE1-CD2 4.32Å; Y42-L319 HydrophobicContact CE2-CD2 4.12Å; Y42-L319 HydrophobicContact CG-CD2 4.15Å; Y42-V369 HydrophobicContact CE1-CG1 4.41Å
43	D	84.2	Confident	85.3	Confident	17 Å²	17	21.7 Å²	21.7	9%	0.091	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.5	169.3	-177.7	-11	0	0	0	109.9	L29 N45 R46 F48 F49 V51	L29-D43 HydrophobicContact CD2-CB 4.02Å; D43-N45 PolarHBondContact O-N 3.49Å; D43-N45 WeakPolarHBondContact OD1-CB 3.41Å; D43-N45 PolarHBondContact OD1-N 2.99Å; D43-R46 HydrophobicContact CB-CB 4.21Å; D43-R46 PolarHBondContact O-N 3.18Å; D43-R46 WeakPolarHBondContact OD2-CD 3.44Å; D43-R46 VanDerWaalsContact OD2-CG 3.25Å; D43-R46 WeakPolarHBondContact OD2-CG 3.42Å; D43-R46 IonicContact OD2-NE 2.74Å; D43-R46 PolarHBondContact OD2-NE 2.84Å; D43-F48 WeakPolarHBondContact O-CA 3.38Å; D43-F48 PolarHBondContact O-N 2.95Å; D43-F49 PolarHBondContact N-O 3.09Å; D43-F49 PolarHBondContact O-N 3.49Å; D43-V51 HydrophobicContact CB-CG1 3.81Å
44	E	79.1	Confident	85	Confident	18 Å²	18	21.7 Å²	21.7	8%	0.084	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-62.2	-31.1	-177.3	82.4	-170.5	173.1	0	0	112.2	R24 G28 I30 R46 F48	R24-E44 IonicContact CZ-OE1 3.6Å; R24-E44 IonicContact CZ-OE2 3.43Å; R24-E44 IonicContact NE-OE1 2.77Å; R24-E44 PolarHBondContact NE-OE1 2.94Å; R24-E44 IonicContact NE-OE2 3.7Å; R24-E44 PolarHBondContact NE-OE2 3.41Å; R24-E44 IonicContact NH2-OE1 3.65Å; R24-E44 PolarHBondContact NH2-OE1 2.91Å; R24-E44 IonicContact NH2-OE2 3.3Å; G28-E44 VanDerWaalsContact CA-CD 3.42Å; G28-E44 WeakPolarHBondContact CA-OE1 3.2Å; G28-E44 WeakPolarHBondContact O-CB 3.22Å; G28-E44 VanDerWaalsContact O-CG 3.26Å; G28-E44 WeakPolarHBondContact O-CG 3.48Å; G28-E44 PolarHBondContact O-N 3.4Å; I30-E44 HydrophobicContact CD1-CB 3.71Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.91Å; E44-F48 HydrophobicContact CB-CD1 4.47Å; E44-F48 HydrophobicContact CB-CE1 4.08Å; E44-F48 HydrophobicContact CB-CZ 4.5Å
45	N	75.4	Confident	84.7	Confident	64 Å²	64	21.5 Å²	21.5	34%	0.342	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-76.4	-19.5	-178	-57.8	-49	0	0	0	112.5	D43	D43-N45 PolarHBondContact O-N 3.49Å; D43-N45 WeakPolarHBondContact OD1-CB 3.41Å; D43-N45 PolarHBondContact OD1-N 2.99Å
46	R	72.1	Confident	84.5	Confident	76 Å²	76	21.7 Å²	21.7	29%	0.287	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-110.3	41.2	-178.5	-63	-176.6	-173.4	-161.7	-6.1	112.8	D43 E44 F48 F49 S659	D43-R46 HydrophobicContact CB-CB 4.21Å; D43-R46 PolarHBondContact O-N 3.18Å; D43-R46 WeakPolarHBondContact OD2-CD 3.44Å; D43-R46 VanDerWaalsContact OD2-CG 3.25Å; D43-R46 WeakPolarHBondContact OD2-CG 3.42Å; D43-R46 IonicContact OD2-NE 2.74Å; D43-R46 PolarHBondContact OD2-NE 2.84Å; E44-R46 VanDerWaalsContact C-N 3.3Å; E44-R46 PolarHBondContact O-N 2.91Å; R46-F48 VanDerWaalsContact C-N 3.28Å; R46-F48 PolarHBondContact O-N 3.33Å; R46-F49 HydrophobicContact CB-CB 4.12Å; R46-F49 WeakPolarHBondContact O-CB 3.4Å; R46-F49 PolarHBondContact O-N 3.23Å; R46-S659 PolarHBondContact NH1-O 2.82Å
47	N	71.8	Confident	84.3	Confident	23 Å²	23	24.8 Å²	24.8	12%	0.123	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	37.4	179.4	-156.7	38.6	0	0	0	112.5	F49 L341 T720	N47-F49 VanDerWaalsContact C-N 3.3Å; N47-F49 PolarHBondContact O-N 3.03Å; N47-L341 VanDerWaalsContact ND2-CD1 3.29Å; N47-L341 WeakPolarHBondContact ND2-CD1 3.48Å; N47-L341 WeakPolarHBondContact OD1-CB 3.03Å; N47-L341 WeakPolarHBondContact OD1-CG 3.18Å; N47-L341 PolarHBondContact OD1-N 2.97Å; N47-L341 VanDerWaalsContact OD1-N 3.1Å; N47-T720 PolarHBondContact ND2-O 2.98Å
48	F	79.3	Confident	83.9	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.009	12%	0.119	C	C	.	.	S	Bend	trans	56.8	38.7	-175.4	-58.8	-88.7	0	0	0	113.3	I30 Y42 D43 E44 R46 I287 L311 L319 V321 A342 L362 V369	I30-F48 HydrophobicContact CD1-CD1 3.83Å; I30-F48 HydrophobicContact CD1-CE1 3.49Å; I30-F48 VanDerWaalsContact CD1-CE1 3.49Å; Y42-F48 HydrophobicContact CD1-CB 4.35Å; Y42-F48 WeakPolarHBondContact CD1-O 3.25Å; D43-F48 WeakPolarHBondContact O-CA 3.38Å; D43-F48 PolarHBondContact O-N 2.95Å; E44-F48 HydrophobicContact CB-CD1 4.47Å; E44-F48 HydrophobicContact CB-CE1 4.08Å; E44-F48 HydrophobicContact CB-CZ 4.5Å; R46-F48 VanDerWaalsContact C-N 3.28Å; R46-F48 PolarHBondContact O-N 3.33Å; F48-I287 HydrophobicContact CE1-CD1 3.9Å; F48-I287 HydrophobicContact CZ-CD1 3.73Å; F48-L311 HydrophobicContact CE1-CD2 3.87Å; F48-L311 HydrophobicContact CZ-CD2 4.06Å; F48-L319 HydrophobicContact CD1-CD2 4.42Å; F48-V321 HydrophobicContact CD2-CG2 4.48Å; F48-V321 HydrophobicContact CE1-CG2 4.41Å; F48-V321 HydrophobicContact CE2-CG1 4.4Å; F48-V321 HydrophobicContact CE2-CG2 3.94Å; F48-V321 HydrophobicContact CZ-CG1 4.25Å; F48-V321 HydrophobicContact CZ-CG2 3.9Å; F48-A342 HydrophobicContact CE2-CB 3.98Å; F48-L362 HydrophobicContact CB-CD1 3.42Å; F48-L362 VanDerWaalsContact CB-CD1 3.42Å; F48-L362 HydrophobicContact CD1-CD1 4.28Å; F48-L362 HydrophobicContact CD2-CD1 4.07Å; F48-L362 HydrophobicContact CG-CD1 3.68Å; F48-V369 VanDerWaalsContact O-CG1 3.27Å; F48-V369 WeakPolarHBondContact O-CG1 3.32Å
49	F	80.7	Confident	83.6	Confident	12 Å²	12	25.4 Å²	25.4	5%	0.053	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.2	174.5	-177.6	-89.2	0	0	0	111.2	Y42 D43 R46 N47 V51 P371 H639 L689 T720	Y42-F49 CarbonylContact C-O 3.53Å; Y42-F49 WeakPolarHBondContact CA-O 3.47Å; D43-F49 PolarHBondContact N-O 3.09Å; D43-F49 PolarHBondContact O-N 3.49Å; R46-F49 HydrophobicContact CB-CB 4.12Å; R46-F49 WeakPolarHBondContact O-CB 3.4Å; R46-F49 PolarHBondContact O-N 3.23Å; N47-F49 VanDerWaalsContact C-N 3.3Å; N47-F49 PolarHBondContact O-N 3.03Å; F49-V51 HydrophobicContact CD1-CG1 4.02Å; F49-V51 PolarHBondContact O-N 2.79Å; F49-P371 HydrophobicContact CD2-CG 4.29Å; F49-P371 VanDerWaalsContact CE2-CD 3.41Å; F49-P371 HydrophobicContact CE2-CG 3.27Å; F49-P371 HydrophobicContact CZ-CG 3.76Å; F49-H639 AromaticContact CZ-CD2 3.86Å; F49-L689 HydrophobicContact CB-CD1 4.09Å; F49-L689 HydrophobicContact CD1-CD1 3.55Å; F49-L689 HydrophobicContact CD2-CB 4.24Å; F49-L689 HydrophobicContact CD2-CD1 3.51Å; F49-L689 HydrophobicContact CD2-CG 4.49Å; F49-L689 HydrophobicContact CE1-CD1 3.71Å; F49-L689 HydrophobicContact CE2-CB 4.07Å; F49-L689 HydrophobicContact CE2-CD1 3.59Å; F49-L689 HydrophobicContact CE2-CG 4.49Å; F49-L689 HydrophobicContact CG-CD1 3.45Å; F49-L689 VanDerWaalsContact CG-CD1 3.45Å; F49-L689 HydrophobicContact CZ-CD1 3.73Å; F49-T720 HydrophobicContact CD2-CG2 3.92Å; F49-T720 HydrophobicContact CE2-CG2 4.47Å
50	I	84.9	Confident	83.3	Confident	10 Å²	10	28.6 Å²	28.6	5%	0.051	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	108.4	175.2	-67.4	179	0	0	0	109.9	D40 V41 Y42 A52 H53 V369 A370	D40-I50 HydrophobicContact CB-CD1 4.42Å; V41-I50 CarbonylContact O-C 3.56Å; V41-I50 WeakPolarHBondContact O-CA 3.18Å; Y42-I50 HydrophobicContact CD1-CD1 4.33Å; Y42-I50 HydrophobicContact CD1-CG1 3.59Å; Y42-I50 HydrophobicContact CE1-CD1 3.65Å; Y42-I50 HydrophobicContact CE1-CG1 3.42Å; Y42-I50 VanDerWaalsContact CE1-CG1 3.42Å; Y42-I50 HydrophobicContact CG-CG1 4.37Å; I50-A52 WeakPolarHBondContact CG2-O 3.44Å; I50-H53 HydrophobicContact CG2-CB 4.3Å; I50-V369 HydrophobicContact CG1-CG1 4.26Å; I50-V369 PolarHBondContact N-O 3.4Å; I50-A370 HydrophobicContact CB-CB 4.38Å; I50-A370 HydrophobicContact CD1-CB 3.81Å; I50-A370 HydrophobicContact CG1-CB 4.42Å
51	V	84.4	Confident	83.3	Confident	54 Å²	54	29.5 Å²	29.5	33%	0.327	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-27.7	179.1	-66.1	0	0	0	0	112.9	L29 V41 D43 F49	L29-V51 HydrophobicContact CD2-CG2 4.06Å; V41-V51 HydrophobicContact CB-CG2 4.13Å; V41-V51 HydrophobicContact CG1-CG2 3.73Å; V41-V51 WeakPolarHBondContact O-CG2 3.45Å; V41-V51 PolarHBondContact O-N 3.07Å; D43-V51 HydrophobicContact CB-CG1 3.81Å; F49-V51 HydrophobicContact CD1-CG1 4.02Å; F49-V51 PolarHBondContact O-N 2.79Å
52	A	86.6	Confident	83.3	Confident	4 Å²	4	29.5 Å²	29.5	3%	0.033	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.1	175.2	0	0	0	0	0	110.7	V41 I50 F54 L86	V41-A52 HydrophobicContact CB-CB 4.16Å; V41-A52 HydrophobicContact CG2-CB 4.34Å; V41-A52 PolarHBondContact N-O 2.83Å; I50-A52 WeakPolarHBondContact CG2-O 3.44Å; A52-F54 HydrophobicContact CB-CE2 4.15Å; A52-L86 HydrophobicContact CB-CB 4.32Å; A52-L86 HydrophobicContact CB-CD2 4.1Å
53	H	87.2	Confident	83.6	Confident	42 Å²	42	30.9 Å²	30.9	19%	0.194	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.8	175.5	172.6	70.4	0	0	0	108.9	V39 D40 I50 P55 S89 H373	V39-H53 WeakPolarHBondContact O-CA 3.44Å; D40-H53 IonicContact OD1-CE1 3.58Å; D40-H53 PolarHBondContact OD1-CE1 2.87Å; D40-H53 IonicContact OD1-CG 3.51Å; D40-H53 IonicContact OD1-ND1 2.92Å; D40-H53 PolarHBondContact OD1-ND1 3.1Å; I50-H53 HydrophobicContact CG2-CB 4.3Å; H53-P55 WeakPolarHBondContact O-CD 3.35Å; H53-S89 WeakPolarHBondContact O-CB 3.47Å; H53-H373 WeakPolarHBondContact CB-NE2 3.27Å; H53-H373 AromaticContact CD2-CE1 3.35Å; H53-H373 PolarHBondContact CD2-CE1 2.95Å; H53-H373 AromaticContact CD2-NE2 3.97Å; H53-H373 AromaticContact CE1-CE1 3.78Å; H53-H373 AromaticContact CG-CE1 3.28Å; H53-H373 AromaticContact CG-NE2 3.52Å; H53-H373 AromaticContact ND1-CE1 3.56Å; H53-H373 AromaticContact ND1-NE2 3.96Å; H53-H373 AromaticContact NE2-CE1 3.68Å
54	F	88.8	Confident	84.2	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.4	175	-59.8	-96.2	0	0	0	108.2	S38 V39 V41 A52 I58 L84 D85 L86	S38-F54 CarbonylContact C-O 3.56Å; S38-F54 WeakPolarHBondContact CA-O 3.43Å; S38-F54 WeakPolarHBondContact CB-O 3.49Å; V39-F54 HydrophobicContact CB-CB 4.09Å; V39-F54 HydrophobicContact CB-CD2 3.98Å; V39-F54 HydrophobicContact CB-CG 4.4Å; V39-F54 HydrophobicContact CG1-CD2 4.33Å; V39-F54 PolarHBondContact N-O 2.94Å; V39-F54 PolarHBondContact O-N 3.1Å; V41-F54 HydrophobicContact CG2-CE2 4.25Å; A52-F54 HydrophobicContact CB-CE2 4.15Å; F54-I58 HydrophobicContact CB-CD1 4.45Å; F54-I58 HydrophobicContact CD1-CD1 4.47Å; F54-L84 HydrophobicContact CD1-CB 4.46Å; F54-L84 HydrophobicContact CD1-CD1 4.39Å; F54-L84 HydrophobicContact CD1-CD2 4.14Å; F54-L84 HydrophobicContact CD2-CD1 4.18Å; F54-L84 HydrophobicContact CE1-CB 3.73Å; F54-L84 HydrophobicContact CE1-CD1 4.39Å; F54-L84 HydrophobicContact CE1-CD2 4.13Å; F54-L84 HydrophobicContact CE1-CG 4.3Å; F54-L84 HydrophobicContact CE2-CB 4.22Å; F54-L84 HydrophobicContact CE2-CD1 4.2Å; F54-L84 HydrophobicContact CG-CD1 4.28Å; F54-L84 HydrophobicContact CZ-CB 3.61Å; F54-L84 HydrophobicContact CZ-CD1 4.31Å; F54-L84 HydrophobicContact CZ-CG 4.43Å; F54-D85 WeakPolarHBondContact CE1-O 3.15Å; F54-D85 VanDerWaalsContact CZ-O 3.31Å; F54-D85 WeakPolarHBondContact CZ-O 2.89Å; F54-L86 HydrophobicContact CE2-CD2 4.03Å; F54-L86 HydrophobicContact CZ-CD2 4.15Å
55	P	84.4	Confident	85	Confident	19 Å²	19	30.4 Å²	30.4	12%	0.123	15%	0.152	C	C	.	.			trans	-65.2	164.8	180	-30.9	41.5	0	0	0	114.1	H53 R57 I58 E450 F468	H53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-R57 VanDerWaalsContact C-N 3.26Å; P55-R57 PolarHBondContact O-N 2.86Å; P55-R57 VanDerWaalsContact O-N 3.12Å; P55-I58 PolarHBondContact O-N 2.74Å; P55-E450 WeakPolarHBondContact CB-OE2 3.41Å; P55-F468 HydrophobicContact CB-CE2 4.24Å; P55-F468 HydrophobicContact CB-CZ 3.78Å; P55-F468 HydrophobicContact CG-CE1 4.33Å; P55-F468 HydrophobicContact CG-CE2 4.36Å; P55-F468 HydrophobicContact CG-CZ 3.5Å
56	R	84.2	Confident	86	Confident	62 Å²	62	28.2 Å²	28.2	23%	0.234	14%	0.141	C	C	.	.	H	α-helix	trans	-51	-43.3	-166.4	-59.6	176.3	170	-177.2	-7.3	112.9	Q15 D36 I58 C60 E450	Q15-R56 PolarHBondContact O-NH2 2.75Å; D36-R56 HydrophobicContact CB-CG 3.91Å; D36-R56 WeakPolarHBondContact O-CA 3.35Å; D36-R56 VanDerWaalsContact O-CB 3.25Å; D36-R56 WeakPolarHBondContact O-CB 3.08Å; D36-R56 IonicContact OD2-CZ 3.84Å; D36-R56 IonicContact OD2-NE 3.23Å; D36-R56 PolarHBondContact OD2-NE 3.32Å; D36-R56 IonicContact OD2-NH2 3.58Å; D36-R56 PolarHBondContact OD2-NH2 2.86Å; R56-I58 VanDerWaalsContact C-N 3.35Å; R56-I58 PolarHBondContact O-N 2.78Å; R56-C60 WeakPolarHBondContact O-CA 3.47Å; R56-C60 PolarHBondContact O-N 2.97Å; R56-E450 WeakPolarHBondContact CB-OE1 3.48Å; R56-E450 PolarHBondContact N-OE2 3.03Å
57	R	82.3	Confident	87.1	Confident	99 Å²	99	25.5 Å²	25.5	37%	0.374	13%	0.131	S	C	.	.	H	α-helix	trans	-83.4	-4	-173.6	-63.1	-169.6	-177.7	173.3	-5.8	115	P55 C60 G448 M449 E450	P55-R57 VanDerWaalsContact C-N 3.26Å; P55-R57 PolarHBondContact O-N 2.86Å; P55-R57 VanDerWaalsContact O-N 3.12Å; R57-C60 PolarHBondContact O-SG 3.2Å; R57-G448 WeakPolarHBondContact CD-O 3.25Å; R57-M449 PolarHBondContact NH1-O 2.8Å; R57-E450 HydrophobicContact CG-CG 4.06Å; R57-E450 IonicContact NE-OE1 2.7Å
58	I	82.3	Confident	88.1	Confident	15 Å²	15	25 Å²	25	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-73.9	-58	174.7	-61.6	-173.1	0	0	0	109.2	F54 P55 R56 S89 I91 F468	F54-I58 HydrophobicContact CB-CD1 4.45Å; F54-I58 HydrophobicContact CD1-CD1 4.47Å; P55-I58 PolarHBondContact O-N 2.74Å; R56-I58 VanDerWaalsContact C-N 3.35Å; R56-I58 PolarHBondContact O-N 2.78Å; I58-S89 WeakPolarHBondContact CD1-O 3.42Å; I58-I91 HydrophobicContact CG2-CD1 3.97Å; I58-I91 HydrophobicContact CG2-CG1 3.66Å; I58-F468 HydrophobicContact CD1-CD1 4.47Å; I58-F468 HydrophobicContact CD1-CE1 3.67Å; I58-F468 HydrophobicContact CD1-CZ 3.78Å; I58-F468 HydrophobicContact CG1-CE1 4.29Å; I58-F468 HydrophobicContact CG1-CZ 4.01Å
59	C	83.7	Confident	88.5	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-89	-23.2	-179.7	-51.6	0	0	0	0	112.2	G37 S61 V62 L82	G37-C59 WeakPolarHBondContact O-CB 3.47Å; C59-S61 PolarHBondContact O-N 3.1Å; C59-V62 HydrophobicContact CB-CG2 3.48Å; C59-V62 VanDerWaalsContact CB-CG2 3.48Å; C59-L82 HydrophobicContact CB-CD1 4.31Å
60	C	85.5	Confident	88.8	Confident	68 Å²	68	35.6 Å²	35.6	46%	0.459	19%	0.187	S	C	.	.	S	Bend	trans	62.7	-32.7	-175.3	-56.6	0	0	0	0	115.5	R56 R57 L78	R56-C60 WeakPolarHBondContact O-CA 3.47Å; R56-C60 PolarHBondContact O-N 2.97Å; R57-C60 PolarHBondContact O-SG 3.2Å; C60-L78 HydrophobicContact CB-CD1 3.74Å; C60-L78 HydrophobicContact CB-CG 4.41Å
61	S	90.8	Very high	89.2	Confident	22 Å²	22	37.9 Å²	37.9	15%	0.154	20%	0.195	C	C	.	.			trans	-156.8	135.9	176.6	166.4	0	0	0	0	108.6	C59 A77	C59-S61 PolarHBondContact O-N 3.1Å; S61-A77 WeakPolarHBondContact OG-CB 3.18Å; S61-A77 PolarHBondContact OG-N 2.79Å
62	V	93.8	Very high	89.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.179	C	C	.	.			trans	-135.3	108.2	178.2	-179.3	0	0	0	0	108.6	V39 C59 L65 C74 T75	V39-V62 HydrophobicContact CG2-CB 4.37Å; V39-V62 HydrophobicContact CG2-CG1 4.15Å; V39-V62 HydrophobicContact CG2-CG2 3.68Å; C59-V62 HydrophobicContact CB-CG2 3.48Å; C59-V62 VanDerWaalsContact CB-CG2 3.48Å; V62-L65 HydrophobicContact CG1-CD1 4.33Å; V62-L65 HydrophobicContact CG1-CD2 4.05Å; V62-L65 HydrophobicContact CG1-CG 3.9Å; V62-C74 HydrophobicContact CG1-CB 4.16Å; V62-T75 WeakPolarHBondContact CA-O 3.26Å
63	E	94.5	Very high	90.2	Very high	40 Å²	40	35.1 Å²	35.1	19%	0.187	18%	0.178	C	C	.	.	S	Bend	trans	-100.1	-31.9	179.6	-64.5	-69.9	145.3	0	0	111.2	C21 T75 A103 R104	C21-E63 WeakPolarHBondContact CB-O 3.31Å; E63-T75 PolarHBondContact N-O 3.43Å; E63-A103 WeakPolarHBondContact CB-O 3.42Å; E63-R104 IonicContact OE1-NH1 2.69Å; E63-R104 WeakPolarHBondContact OE2-CD 2.75Å; E63-R104 IonicContact OE2-CZ 3.53Å; E63-R104 IonicContact OE2-NE 2.58Å; E63-R104 IonicContact OE2-NH1 2.78Å; E63-R104 PolarHBondContact OE2-NH1 3.44Å
64	S	95.6	Very high	90.6	Very high	15 Å²	15	33.1 Å²	33.1	11%	0.105	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.5	179.6	-162.6	0	0	0	0	111.6	C74 T75 M106	S64-C74 WeakPolarHBondContact O-CA 3.36Å; S64-T75 PolarHBondContact N-O 3Å; S64-T75 PolarHBondContact O-N 3.13Å; S64-T75 VanDerWaalsContact O-N 3.12Å; S64-M106 VanDerWaalsContact C-CE 3.48Å; S64-M106 VanDerWaalsContact O-CE 3.22Å; S64-M106 WeakPolarHBondContact O-CE 3.38Å; S64-M106 PolarHBondContact OG-N 2.98Å; S64-M106 VanDerWaalsContact OG-N 3.1Å
65	L	97.1	Very high	90.9	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142	177.4	-73.5	164.9	0	0	0	108.7	A23 A31 V39 V62 L72 F73 C74	A23-L65 HydrophobicContact CB-CB 3.78Å; A23-L65 WeakPolarHBondContact CB-O 3.48Å; A31-L65 HydrophobicContact CB-CD1 4.03Å; V39-L65 HydrophobicContact CG1-CD1 4.15Å; V39-L65 HydrophobicContact CG1-CD2 4.09Å; V39-L65 HydrophobicContact CG2-CD2 4.36Å; V62-L65 HydrophobicContact CG1-CD1 4.33Å; V62-L65 HydrophobicContact CG1-CD2 4.05Å; V62-L65 HydrophobicContact CG1-CG 3.9Å; L65-L72 HydrophobicContact CD2-CD1 4.09Å; L65-F73 WeakPolarHBondContact CA-O 3.22Å; L65-C74 HydrophobicContact CD2-CB 3.48Å; L65-C74 VanDerWaalsContact CD2-CB 3.48Å; L65-C74 HydrophobicContact CG-CB 4.49Å
66	V	96.3	Very high	91.2	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.103	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145	172.2	80.1	0	0	0	0	111.3	F73 M106 V108 I113	V66-F73 HydrophobicContact CG1-CB 4.15Å; V66-F73 PolarHBondContact N-O 3.2Å; V66-F73 PolarHBondContact O-N 2.85Å; V66-M106 HydrophobicContact CB-CB 4.32Å; V66-M106 HydrophobicContact CB-CE 4.34Å; V66-M106 HydrophobicContact CG1-CB 4.36Å; V66-M106 HydrophobicContact CG1-CE 4.12Å; V66-M106 HydrophobicContact CG1-SD 4.24Å; V66-V108 HydrophobicContact CB-CG2 4.39Å; V66-V108 HydrophobicContact CG1-CG2 4.02Å; V66-V108 HydrophobicContact CG2-CB 4.33Å; V66-V108 HydrophobicContact CG2-CG2 3.48Å; V66-V108 VanDerWaalsContact CG2-CG2 3.48Å; V66-I113 HydrophobicContact CG1-CD1 4.5Å; V66-I113 HydrophobicContact CG1-CG1 4.37Å; V66-I113 HydrophobicContact CG1-CG2 4.05Å
67	W	95.5	Very high	91.4	Very high	20 Å²	20	31.5 Å²	31.5	8%	0.076	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.7	173.7	-70	98.5	0	0	0	109.8	A23 R24 L29 A31 V41 R71 L72 L86	A23-W67 PolarHBondContact O-NE1 2.78Å; R24-W67 VanDerWaalsContact C-CD1 3.45Å; L29-W67 HydrophobicContact CB-CH2 3.88Å; L29-W67 HydrophobicContact CB-CZ2 3.83Å; L29-W67 HydrophobicContact CD1-CH2 3.96Å; L29-W67 HydrophobicContact CD1-CZ3 4.29Å; A31-W67 HydrophobicContact CB-CZ2 3.7Å; V41-W67 HydrophobicContact CG1-CH2 3.94Å; V41-W67 HydrophobicContact CG1-CZ2 3.96Å; W67-R71 WeakPolarHBondContact CA-O 3.33Å; W67-L72 HydrophobicContact CD2-CD1 3.93Å; W67-L72 HydrophobicContact CE3-CB 4Å; W67-L72 HydrophobicContact CE3-CD1 4.28Å; W67-L72 HydrophobicContact CG-CD1 4.46Å; W67-L72 HydrophobicContact CH2-CB 3.97Å; W67-L72 HydrophobicContact CH2-CD1 4.29Å; W67-L72 HydrophobicContact CH2-CD2 4.23Å; W67-L72 HydrophobicContact CH2-CG 4.4Å; W67-L72 HydrophobicContact CZ2-CB 4.48Å; W67-L72 HydrophobicContact CZ2-CD1 3.94Å; W67-L72 HydrophobicContact CZ2-CD2 4.28Å; W67-L72 HydrophobicContact CZ2-CG 4.47Å; W67-L72 HydrophobicContact CZ3-CB 3.72Å; W67-L72 HydrophobicContact CZ3-CD1 4.46Å; W67-L86 HydrophobicContact CH2-CD1 3.88Å; W67-L86 HydrophobicContact CH2-CD2 4.3Å; W67-L86 HydrophobicContact CZ3-CD1 3.99Å
68	M	91.5	Very high	91.6	Very high	13 Å²	13	31.3 Å²	31.3	6%	0.064	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	106.1	164.3	-174.6	162.1	171.9	0	0	108.7	S70 R71 F73 V108 D111 T127	M68-S70 PolarHBondContact O-N 3.41Å; M68-S70 VanDerWaalsContact O-N 3.08Å; M68-R71 PolarHBondContact N-O 2.89Å; M68-R71 WeakPolarHBondContact O-CB 3.26Å; M68-R71 PolarHBondContact O-N 3.39Å; M68-F73 HydrophobicContact CB-CD2 4.45Å; M68-F73 HydrophobicContact CB-CE2 4.05Å; M68-V108 HydrophobicContact CB-CG2 4.33Å; M68-D111 HydrophobicContact CE-CB 3.87Å; M68-D111 WeakPolarHBondContact CE-O 3.34Å; M68-T127 WeakPolarHBondContact CE-OG1 3.41Å; M68-T127 HydrophobicContact SD-CG2 3.5Å; M68-T127 WeakPolarHBondContact SD-CG2 3.5Å; M68-T127 PolarHBondContact SD-OG1 2.94Å
69	Q	87.7	Confident	91.9	Very high	151 Å²	151	30.9 Å²	30.9	71%	0.706	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-112.5	-168.3	-54.7	175	-2.8	0	0	110.4
70	S	88.7	Confident	92.2	Very high	85 Å²	85	32.7 Å²	32.7	59%	0.594	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	7.2	177.6	-55.8	0	0	0	0	113.7	M68	M68-S70 PolarHBondContact O-N 3.41Å; M68-S70 VanDerWaalsContact O-N 3.08Å
71	R	92.9	Very high	92.5	Very high	57 Å²	57	29.5 Å²	29.5	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.9	179.3	-63	166.7	70.2	-174.9	3.9	109.9	W67 M68 F73 E83 T127	W67-R71 WeakPolarHBondContact CA-O 3.33Å; M68-R71 PolarHBondContact N-O 2.89Å; M68-R71 WeakPolarHBondContact O-CB 3.26Å; M68-R71 PolarHBondContact O-N 3.39Å; R71-F73 HydrophobicContact CB-CD2 4.35Å; R71-F73 HydrophobicContact CB-CE2 3.53Å; R71-F73 HydrophobicContact CB-CZ 4.11Å; R71-E83 IonicContact CZ-OE1 3.14Å; R71-E83 IonicContact CZ-OE2 3.27Å; R71-E83 IonicContact NE-OE1 2.76Å; R71-E83 PolarHBondContact NE-OE1 3.06Å; R71-E83 IonicContact NE-OE2 2.78Å; R71-E83 IonicContact NH2-OE1 3.57Å; R71-E83 PolarHBondContact NH2-OE1 3.14Å; R71-E83 IonicContact NH2-OE2 3.62Å; R71-E83 PolarHBondContact NH2-OE2 3.33Å; R71-T127 PolarHBondContact NH1-O 2.79Å
72	L	95.9	Very high	92.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.9	179.1	-179.4	59.8	0	0	0	110.3	A31 V39 V41 L65 W67 L84 L86	A31-L72 HydrophobicContact CB-CD1 3.6Å; A31-L72 HydrophobicContact CB-CD2 3.86Å; A31-L72 HydrophobicContact CB-CG 4.41Å; V39-L72 HydrophobicContact CG1-CD2 4.35Å; V41-L72 HydrophobicContact CG2-CD2 3.74Å; L65-L72 HydrophobicContact CD2-CD1 4.09Å; W67-L72 HydrophobicContact CD2-CD1 3.93Å; W67-L72 HydrophobicContact CE3-CB 4Å; W67-L72 HydrophobicContact CE3-CD1 4.28Å; W67-L72 HydrophobicContact CG-CD1 4.46Å; W67-L72 HydrophobicContact CH2-CB 3.97Å; W67-L72 HydrophobicContact CH2-CD1 4.29Å; W67-L72 HydrophobicContact CH2-CD2 4.23Å; W67-L72 HydrophobicContact CH2-CG 4.4Å; W67-L72 HydrophobicContact CZ2-CB 4.48Å; W67-L72 HydrophobicContact CZ2-CD1 3.94Å; W67-L72 HydrophobicContact CZ2-CD2 4.28Å; W67-L72 HydrophobicContact CZ2-CG 4.47Å; W67-L72 HydrophobicContact CZ3-CB 3.72Å; W67-L72 HydrophobicContact CZ3-CD1 4.46Å; L72-L84 HydrophobicContact CB-CB 4.36Å; L72-L84 HydrophobicContact CD2-CB 4.32Å; L72-L84 HydrophobicContact CD2-CD1 3.96Å; L72-L84 HydrophobicContact CG-CB 4.32Å; L72-L84 HydrophobicContact CG-CD1 4.22Å; L72-L84 PolarHBondContact O-N 2.83Å; L72-L86 HydrophobicContact CB-CD2 4.4Å; L72-L86 HydrophobicContact CD2-CD2 3.99Å
73	F	95.8	Very high	92.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.9	176	-61.8	-95.1	0	0	0	111.1	L65 V66 M68 R71 L81 L82 E83 I113 T127 P132	L65-F73 WeakPolarHBondContact CA-O 3.22Å; V66-F73 HydrophobicContact CG1-CB 4.15Å; V66-F73 PolarHBondContact N-O 3.2Å; V66-F73 PolarHBondContact O-N 2.85Å; M68-F73 HydrophobicContact CB-CD2 4.45Å; M68-F73 HydrophobicContact CB-CE2 4.05Å; R71-F73 HydrophobicContact CB-CD2 4.35Å; R71-F73 HydrophobicContact CB-CE2 3.53Å; R71-F73 HydrophobicContact CB-CZ 4.11Å; F73-L81 HydrophobicContact CB-CD1 4.06Å; F73-L81 HydrophobicContact CD1-CD1 4.41Å; F73-L81 HydrophobicContact CD1-CG 4.44Å; F73-L82 CarbonylContact C-O 3.53Å; F73-L82 VanDerWaalsContact CA-O 3.24Å; F73-L82 WeakPolarHBondContact CA-O 3.31Å; F73-E83 HydrophobicContact CD1-CB 3.87Å; F73-E83 HydrophobicContact CD1-CG 4.21Å; F73-E83 HydrophobicContact CE1-CB 3.62Å; F73-E83 HydrophobicContact CE1-CG 3.73Å; F73-E83 HydrophobicContact CZ-CB 4.42Å; F73-E83 HydrophobicContact CZ-CG 4.03Å; F73-I113 HydrophobicContact CB-CD1 4Å; F73-I113 HydrophobicContact CD1-CD1 3.61Å; F73-I113 HydrophobicContact CD2-CD1 3.37Å; F73-I113 HydrophobicContact CE1-CD1 3.81Å; F73-I113 HydrophobicContact CE2-CD1 3.59Å; F73-I113 HydrophobicContact CG-CD1 3.37Å; F73-I113 HydrophobicContact CZ-CD1 3.79Å; F73-T127 HydrophobicContact CZ-CG2 4.23Å; F73-P132 HydrophobicContact CE1-CB 4.38Å; F73-P132 HydrophobicContact CE1-CG 4.39Å
74	C	95.8	Very high	92.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.2	174.9	75.8	0	0	0	0	112.1	V62 S64 L65 L82 L84	V62-C74 HydrophobicContact CG1-CB 4.16Å; S64-C74 WeakPolarHBondContact O-CA 3.36Å; L65-C74 HydrophobicContact CD2-CB 3.48Å; L65-C74 VanDerWaalsContact CD2-CB 3.48Å; L65-C74 HydrophobicContact CG-CB 4.49Å; C74-L82 PolarHBondContact N-O 2.98Å; C74-L82 PolarHBondContact O-N 2.8Å; C74-L84 HydrophobicContact CB-CD1 4.28Å
75	T	94.3	Very high	92.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.8	169.2	58.2	0	0	0	0	109.8	V62 E63 S64 L81 A103 M106 V115	V62-T75 WeakPolarHBondContact CA-O 3.26Å; E63-T75 PolarHBondContact N-O 3.43Å; S64-T75 PolarHBondContact N-O 3Å; S64-T75 PolarHBondContact O-N 3.13Å; S64-T75 VanDerWaalsContact O-N 3.12Å; T75-L81 HydrophobicContact CG2-CB 4.27Å; T75-L81 HydrophobicContact CG2-CD1 3.66Å; T75-A103 HydrophobicContact CG2-CB 4.32Å; T75-A103 PolarHBondContact OG1-O 3.26Å; T75-M106 HydrophobicContact CG2-CE 4.09Å; T75-M106 HydrophobicContact CG2-CG 3.99Å; T75-M106 HydrophobicContact CG2-SD 3.34Å; T75-M106 WeakPolarHBondContact CG2-SD 3.35Å; T75-V115 HydrophobicContact CG2-CG1 3.99Å; T75-V115 HydrophobicContact CG2-CG2 4.29Å
76	G	91.3	Very high	91.9	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	16%	0.161	C	C	.	.			trans	-162.6	-152	175.9	0	0	0	0	0	112.8	L78 A103	G76-L78 PolarHBondContact O-N 2.75Å; G76-A103 PolarHBondContact O-N 2.71Å
77	A	88.8	Confident	91.2	Very high	41 Å²	41	34.3 Å²	34.3	34%	0.339	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	9.3	-176.2	0	0	0	0	0	115.5	S61 P101 V102	S61-A77 WeakPolarHBondContact OG-CB 3.18Å; S61-A77 PolarHBondContact OG-N 2.79Å; A77-P101 CarbonylContact C-O 3.57Å; A77-P101 WeakPolarHBondContact CA-O 3.32Å; A77-V102 HydrophobicContact CB-CG1 4.36Å; A77-V102 HydrophobicContact CB-CG2 4.03Å
78	L	86.4	Confident	90.5	Very high	95 Å²	95	34.4 Å²	34.4	50%	0.497	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	3.5	177.2	-65.4	-174.1	0	0	0	114.2	C60 G76 R80 P101	C60-L78 HydrophobicContact CB-CD1 3.74Å; C60-L78 HydrophobicContact CB-CG 4.41Å; G76-L78 PolarHBondContact O-N 2.75Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 2.86Å; L78-P101 CarbonylContact C-O 3.52Å; L78-P101 PolarHBondContact N-O 3.05Å
79	G	87.2	Confident	90.1	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	67.4	31.4	175.2	0	0	0	0	0	112.2	L97 P101	G79-L97 WeakPolarHBondContact O-CB 3.05Å; G79-L97 WeakPolarHBondContact O-CG 3.41Å; G79-L97 PolarHBondContact O-N 3.39Å; G79-P101 VanDerWaalsContact CA-O 3.25Å; G79-P101 WeakPolarHBondContact CA-O 3.45Å; G79-P101 PolarHBondContact N-O 2.96Å
80	R	90.4	Very high	90	Very high	39 Å²	39	29.5 Å²	29.5	15%	0.147	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.8	-176.8	-71.6	178.8	-177.2	176.7	2.4	111.5	L78 L82 C95 L96	L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 2.86Å; R80-L82 HydrophobicContact CB-CD2 4Å; R80-L82 HydrophobicContact CB-CG 4.49Å; R80-C95 CarbonylContact C-O 3.5Å; R80-C95 VanDerWaalsContact CA-O 3.26Å; R80-C95 WeakPolarHBondContact CA-O 3.29Å; R80-L96 HydrophobicContact CG-CD2 3.79Å
81	L	93.1	Very high	90	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121	161.2	179.3	65.2	0	0	0	107.9	F73 T75 S94 C95 L97 M106 I113 V115 F125 P132	F73-L81 HydrophobicContact CB-CD1 4.06Å; F73-L81 HydrophobicContact CD1-CD1 4.41Å; F73-L81 HydrophobicContact CD1-CG 4.44Å; T75-L81 HydrophobicContact CG2-CB 4.27Å; T75-L81 HydrophobicContact CG2-CD1 3.66Å; L81-S94 CarbonylContact O-C 3.55Å; L81-S94 WeakPolarHBondContact O-CA 3.42Å; L81-C95 PolarHBondContact N-O 3.47Å; L81-C95 PolarHBondContact O-N 2.91Å; L81-L97 HydrophobicContact CB-CD2 4.14Å; L81-M106 HydrophobicContact CD1-SD 3.62Å; L81-I113 HydrophobicContact CD1-CG2 4.33Å; L81-I113 HydrophobicContact CD2-CD1 4.47Å; L81-I113 HydrophobicContact CD2-CG2 4.43Å; L81-V115 HydrophobicContact CD1-CG2 4.37Å; L81-F125 HydrophobicContact CD2-CB 3.78Å; L81-F125 HydrophobicContact CD2-CD1 3.85Å; L81-F125 HydrophobicContact CD2-CD2 3.81Å; L81-F125 HydrophobicContact CD2-CE1 4.44Å; L81-F125 HydrophobicContact CD2-CE2 4.39Å; L81-F125 HydrophobicContact CD2-CG 3.51Å; L81-P132 HydrophobicContact CD2-CB 4Å
82	L	93.4	Very high	89.8	Confident	14 Å²	14	29.7 Å²	29.7	7%	0.073	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.9	180	-53.3	177.8	0	0	0	109.6	C59 F73 C74 R80 L84 I91 S94	C59-L82 HydrophobicContact CB-CD1 4.31Å; F73-L82 CarbonylContact C-O 3.53Å; F73-L82 VanDerWaalsContact CA-O 3.24Å; F73-L82 WeakPolarHBondContact CA-O 3.31Å; C74-L82 PolarHBondContact N-O 2.98Å; C74-L82 PolarHBondContact O-N 2.8Å; R80-L82 HydrophobicContact CB-CD2 4Å; R80-L82 HydrophobicContact CB-CG 4.49Å; L82-L84 HydrophobicContact CB-CD2 4.37Å; L82-I91 HydrophobicContact CD1-CD1 4.03Å; L82-I91 HydrophobicContact CD1-CG1 4.49Å; L82-I91 HydrophobicContact CD2-CD1 4.32Å; L82-I91 HydrophobicContact CD2-CG2 4.38Å; L82-S94 VanDerWaalsContact CD2-CB 3.47Å
83	E	94.6	Very high	89.5	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	125	164	-174.4	172	168.5	0	0	108.5	R71 F73 K92 G93	R71-E83 IonicContact CZ-OE1 3.14Å; R71-E83 IonicContact CZ-OE2 3.27Å; R71-E83 IonicContact NE-OE1 2.76Å; R71-E83 PolarHBondContact NE-OE1 3.06Å; R71-E83 IonicContact NE-OE2 2.78Å; R71-E83 IonicContact NH2-OE1 3.57Å; R71-E83 PolarHBondContact NH2-OE1 3.14Å; R71-E83 IonicContact NH2-OE2 3.62Å; R71-E83 PolarHBondContact NH2-OE2 3.33Å; F73-E83 HydrophobicContact CD1-CB 3.87Å; F73-E83 HydrophobicContact CD1-CG 4.21Å; F73-E83 HydrophobicContact CE1-CB 3.62Å; F73-E83 HydrophobicContact CE1-CG 3.73Å; F73-E83 HydrophobicContact CZ-CB 4.42Å; F73-E83 HydrophobicContact CZ-CG 4.03Å; E83-K92 HydrophobicContact CB-CB 4.31Å; E83-K92 HydrophobicContact CG-CB 4.15Å; E83-K92 HydrophobicContact CG-CD 4.25Å; E83-K92 PolarHBondContact O-N 3.05Å; E83-K92 WeakPolarHBondContact OE1-CD 3.44Å; E83-K92 IonicContact OE1-NZ 3.69Å; E83-K92 PolarHBondContact OE1-NZ 3.02Å; E83-G93 PolarHBondContact N-O 2.89Å
84	L	93.7	Very high	89.2	Confident	6 Å²	6	32.6 Å²	32.6	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.1	-177.5	-62.3	-173.5	0	0	0	110.2	V39 F54 L72 C74 L82 L86 I91	V39-L84 HydrophobicContact CB-CD1 4.47Å; V39-L84 HydrophobicContact CG1-CD1 4.43Å; V39-L84 HydrophobicContact CG2-CD1 4.26Å; F54-L84 HydrophobicContact CD1-CB 4.46Å; F54-L84 HydrophobicContact CD1-CD1 4.39Å; F54-L84 HydrophobicContact CD1-CD2 4.14Å; F54-L84 HydrophobicContact CD2-CD1 4.18Å; F54-L84 HydrophobicContact CE1-CB 3.73Å; F54-L84 HydrophobicContact CE1-CD1 4.39Å; F54-L84 HydrophobicContact CE1-CD2 4.13Å; F54-L84 HydrophobicContact CE1-CG 4.3Å; F54-L84 HydrophobicContact CE2-CB 4.22Å; F54-L84 HydrophobicContact CE2-CD1 4.2Å; F54-L84 HydrophobicContact CG-CD1 4.28Å; F54-L84 HydrophobicContact CZ-CB 3.61Å; F54-L84 HydrophobicContact CZ-CD1 4.31Å; F54-L84 HydrophobicContact CZ-CG 4.43Å; L72-L84 HydrophobicContact CB-CB 4.36Å; L72-L84 HydrophobicContact CD2-CB 4.32Å; L72-L84 HydrophobicContact CD2-CD1 3.96Å; L72-L84 HydrophobicContact CG-CB 4.32Å; L72-L84 HydrophobicContact CG-CD1 4.22Å; L72-L84 PolarHBondContact O-N 2.83Å; C74-L84 HydrophobicContact CB-CD1 4.28Å; L82-L84 HydrophobicContact CB-CD2 4.37Å; L84-L86 PolarHBondContact O-N 3.26Å; L84-I91 HydrophobicContact CD2-CG1 4.34Å
85	D	89.5	Confident	88.9	Confident	38 Å²	38	33.4 Å²	33.4	20%	0.203	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.9	172.6	-170.1	0.7	0	0	0	110.1	F54 Q87 T88 S89 S90 K92	F54-D85 WeakPolarHBondContact CE1-O 3.15Å; F54-D85 VanDerWaalsContact CZ-O 3.31Å; F54-D85 WeakPolarHBondContact CZ-O 2.89Å; D85-Q87 PolarHBondContact O-N 3.06Å; D85-Q87 VanDerWaalsContact OD1-CB 3.23Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.34Å; D85-Q87 PolarHBondContact OD1-N 3.22Å; D85-T88 WeakPolarHBondContact CB-OG1 3.44Å; D85-T88 PolarHBondContact OD2-OG1 3.35Å; D85-S89 WeakPolarHBondContact O-CA 3.32Å; D85-S89 PolarHBondContact O-N 2.88Å; D85-S90 PolarHBondContact N-O 3.3Å; D85-S90 PolarHBondContact O-N 2.82Å; D85-K92 HydrophobicContact CB-CB 4.1Å
86	L	88	Confident	88.7	Confident	36 Å²	36	38.7 Å²	38.7	19%	0.188	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.1	174.3	-55.6	-179.4	0	0	0	111.6	L29 V41 A52 F54 W67 L72 L84	L29-L86 HydrophobicContact CD1-CD1 4.06Å; V41-L86 HydrophobicContact CB-CD2 4.36Å; V41-L86 HydrophobicContact CG1-CD2 4.27Å; V41-L86 HydrophobicContact CG2-CD2 3.77Å; A52-L86 HydrophobicContact CB-CB 4.32Å; A52-L86 HydrophobicContact CB-CD2 4.1Å; F54-L86 HydrophobicContact CE2-CD2 4.03Å; F54-L86 HydrophobicContact CZ-CD2 4.15Å; W67-L86 HydrophobicContact CH2-CD1 3.88Å; W67-L86 HydrophobicContact CH2-CD2 4.3Å; W67-L86 HydrophobicContact CZ3-CD1 3.99Å; L72-L86 HydrophobicContact CB-CD2 4.4Å; L72-L86 HydrophobicContact CD2-CD2 3.99Å; L84-L86 PolarHBondContact O-N 3.26Å
87	Q	81.5	Confident	88.5	Confident	110 Å²	110	39.5 Å²	39.5	51%	0.514	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-53.4	-177.1	-71.4	-166.4	-8.8	0	0	112.1	D85 S89 R637	D85-Q87 PolarHBondContact O-N 3.06Å; D85-Q87 VanDerWaalsContact OD1-CB 3.23Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.34Å; D85-Q87 PolarHBondContact OD1-N 3.22Å; Q87-S89 VanDerWaalsContact C-N 3.34Å; Q87-R637 VanDerWaalsContact CA-NH1 3.33Å; Q87-R637 VanDerWaalsContact O-CZ 3.24Å; Q87-R637 PolarHBondContact O-NH1 3.14Å; Q87-R637 PolarHBondContact O-NH2 3.42Å; Q87-R637 VanDerWaalsContact O-NH2 3.08Å
88	T	79.6	Confident	88.1	Confident	21 Å²	21	40.5 Å²	40.5	13%	0.129	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.2	179.5	55.6	0	0	0	0	112.6	D85 S90 Q607 K608	D85-T88 WeakPolarHBondContact CB-OG1 3.44Å; D85-T88 PolarHBondContact OD2-OG1 3.35Å; T88-S90 PolarHBondContact O-N 2.93Å; T88-S90 PolarHBondContact OG1-N 3.21Å; T88-S90 PolarHBondContact OG1-OG 3.5Å; T88-Q607 PolarHBondContact O-NE2 3.02Å; T88-K608 HydrophobicContact CG2-CG 4.24Å
89	S	83.6	Confident	87.4	Confident	22 Å²	22	38.5 Å²	38.5	15%	0.154	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.7	-165.6	-58.7	0	0	0	0	111.3	H53 I58 D85 Q87	H53-S89 WeakPolarHBondContact O-CB 3.47Å; I58-S89 WeakPolarHBondContact CD1-O 3.42Å; D85-S89 WeakPolarHBondContact O-CA 3.32Å; D85-S89 PolarHBondContact O-N 2.88Å; Q87-S89 VanDerWaalsContact C-N 3.34Å
90	S	85.3	Confident	86.4	Confident	40 Å²	40	38.7 Å²	38.7	28%	0.28	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	173.5	178.3	75.6	0	0	0	0	111.8	D85 T88 K92	D85-S90 PolarHBondContact N-O 3.3Å; D85-S90 PolarHBondContact O-N 2.82Å; T88-S90 PolarHBondContact O-N 2.93Å; T88-S90 PolarHBondContact OG1-N 3.21Å; T88-S90 PolarHBondContact OG1-OG 3.5Å; S90-K92 PolarHBondContact O-N 2.84Å
91	I	88.8	Confident	85.4	Confident	37 Å²	37	40.6 Å²	40.6	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127.6	172.3	-61	169.2	0	0	0	108.3	I58 L82 L84 G93 F552	I58-I91 HydrophobicContact CG2-CD1 3.97Å; I58-I91 HydrophobicContact CG2-CG1 3.66Å; L82-I91 HydrophobicContact CD1-CD1 4.03Å; L82-I91 HydrophobicContact CD1-CG1 4.49Å; L82-I91 HydrophobicContact CD2-CD1 4.32Å; L82-I91 HydrophobicContact CD2-CG2 4.38Å; L84-I91 HydrophobicContact CD2-CG1 4.34Å; I91-G93 VanDerWaalsContact CG2-O 3.28Å; I91-G93 WeakPolarHBondContact CG2-O 2.94Å; I91-F552 HydrophobicContact CD1-CD1 3.93Å; I91-F552 HydrophobicContact CD1-CE1 3.92Å
92	K	89.1	Confident	85	Confident	109 Å²	109	41.8 Å²	41.8	47%	0.474	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	-45.2	174.3	-172.6	173.1	158.8	-158.5	0	111.5	E83 D85 S90	E83-K92 HydrophobicContact CB-CB 4.31Å; E83-K92 HydrophobicContact CG-CB 4.15Å; E83-K92 HydrophobicContact CG-CD 4.25Å; E83-K92 PolarHBondContact O-N 3.05Å; E83-K92 WeakPolarHBondContact OE1-CD 3.44Å; E83-K92 IonicContact OE1-NZ 3.69Å; E83-K92 PolarHBondContact OE1-NZ 3.02Å; D85-K92 HydrophobicContact CB-CB 4.1Å; S90-K92 PolarHBondContact O-N 2.84Å
93	G	88.6	Confident	84.7	Confident	8 Å²	8	41.1 Å²	41.1	8%	0.082	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158	-177.4	0	0	0	0	0	110.3	E83 I91	E83-G93 PolarHBondContact N-O 2.89Å; I91-G93 VanDerWaalsContact CG2-O 3.28Å; I91-G93 WeakPolarHBondContact CG2-O 2.94Å
94	S	89.8	Confident	84.4	Confident	52 Å²	52	45.5 Å²	45.5	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.6	177.4	68	0	0	0	0	110.9	L81 L82	L81-S94 CarbonylContact O-C 3.55Å; L81-S94 WeakPolarHBondContact O-CA 3.42Å; L82-S94 VanDerWaalsContact CD2-CB 3.47Å
95	C	90.6	Very high	84.5	Confident	19 Å²	19	45.7 Å²	45.7	13%	0.128	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.3	177.7	-160	0	0	0	0	110.2	R80 L81 F125 P132	R80-C95 CarbonylContact C-O 3.5Å; R80-C95 VanDerWaalsContact CA-O 3.26Å; R80-C95 WeakPolarHBondContact CA-O 3.29Å; L81-C95 PolarHBondContact N-O 3.47Å; L81-C95 PolarHBondContact O-N 2.91Å; C95-F125 HydrophobicContact CB-CD1 4.41Å; C95-F125 HydrophobicContact CB-CE1 4.16Å; C95-P132 HydrophobicContact CB-CB 4.43Å; C95-P132 HydrophobicContact CB-CG 4.15Å; C95-P132 WeakPolarHBondContact CB-O 3.08Å; C95-P132 PolarHBondContact SG-O 3.02Å
96	L	89.5	Confident	84.8	Confident	112 Å²	112	44.7 Å²	44.7	59%	0.586	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.7	176.3	-73.6	164.3	0	0	0	110.2	R80	R80-L96 HydrophobicContact CG-CD2 3.79Å
97	L	87.1	Confident	85.1	Confident	21 Å²	21	44.2 Å²	44.2	11%	0.11	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-79.8	157.6	173.3	-57	178.9	0	0	0	110.6	G79 L81 A103 V115 F125	G79-L97 WeakPolarHBondContact O-CB 3.05Å; G79-L97 WeakPolarHBondContact O-CG 3.41Å; G79-L97 PolarHBondContact O-N 3.39Å; L81-L97 HydrophobicContact CB-CD2 4.14Å; L97-A103 HydrophobicContact CD1-CB 3.32Å; L97-V115 HydrophobicContact CD1-CG1 4.01Å; L97-V115 HydrophobicContact CD2-CB 4.32Å; L97-V115 HydrophobicContact CD2-CG1 3.95Å; L97-V115 HydrophobicContact CD2-CG2 4.35Å; L97-F125 HydrophobicContact CD2-CE1 4.42Å; L97-F125 HydrophobicContact CD2-CE2 3.59Å; L97-F125 HydrophobicContact CD2-CZ 3.39Å
98	V	80.4	Confident	85.7	Confident	61 Å²	61	40.3 Å²	40.3	37%	0.37	24%	0.238	S	C	.	.	S	Bend	trans	-83.4	132.2	176.5	-178.8	0	0	0	0	110.1	S100 T137	V98-S100 PolarHBondContact O-N 3.18Å; V98-T137 HydrophobicContact CG1-CG2 4.44Å
99	G	72.2	Confident	86.2	Confident	53 Å²	53	39.5 Å²	39.5	55%	0.546	23%	0.233	S	C	.	.	S	Bend	trans	87.5	-77.8	174.7	0	0	0	0	0	114.5
100	S	64.6	Low	86.2	Confident	11 Å²	11	44.1 Å²	44.1	8%	0.077	25%	0.252	C	S	.	.			trans	-106.9	153.1	-155.9	-166.4	0	0	0	0	115.7	V98 V102 E119	V98-S100 PolarHBondContact O-N 3.18Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.15Å; S100-E119 VanDerWaalsContact CB-CD 3.48Å; S100-E119 WeakPolarHBondContact OG-CG 2.97Å
101	P	71	Confident	86.3	Confident	79 Å²	79	46.4 Å²	46.4	51%	0.513	26%	0.261	S	S	.	.	S	Bend	trans	-68.4	-18.9	170.5	26.5	-35.9	0	0	0	115.2	A77 L78 G79	A77-P101 CarbonylContact C-O 3.57Å; A77-P101 WeakPolarHBondContact CA-O 3.32Å; L78-P101 CarbonylContact C-O 3.52Å; L78-P101 PolarHBondContact N-O 3.05Å; G79-P101 VanDerWaalsContact CA-O 3.25Å; G79-P101 WeakPolarHBondContact CA-O 3.45Å; G79-P101 PolarHBondContact N-O 2.96Å
102	V	85	Confident	86.4	Confident	26 Å²	26	45.1 Å²	45.1	16%	0.158	25%	0.254	C	S	.	.			trans	-125	126.2	-173.3	-169.2	0	0	0	0	112.6	A77 S100 R104 S117 D118	A77-V102 HydrophobicContact CB-CG1 4.36Å; A77-V102 HydrophobicContact CB-CG2 4.03Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.15Å; V102-R104 HydrophobicContact CG1-CG 4.41Å; V102-S117 WeakPolarHBondContact O-CA 3.48Å; V102-D118 HydrophobicContact CB-CB 4.23Å; V102-D118 PolarHBondContact O-N 2.88Å
103	A	87.1	Confident	86.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.2	168.6	0	0	0	0	0	111.3	E63 T75 G76 L97 V115 G116	E63-A103 WeakPolarHBondContact CB-O 3.42Å; T75-A103 HydrophobicContact CG2-CB 4.32Å; T75-A103 PolarHBondContact OG1-O 3.26Å; G76-A103 PolarHBondContact O-N 2.71Å; L97-A103 HydrophobicContact CD1-CB 3.32Å; A103-V115 HydrophobicContact CB-CG1 3.5Å; A103-V115 VanDerWaalsContact CB-CG1 3.5Å; A103-G116 WeakPolarHBondContact CA-O 3.45Å
104	R	88.3	Confident	86.9	Confident	95 Å²	95	39.5 Å²	39.5	36%	0.358	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-29.3	-170.5	-70.8	-68.8	-171.6	161.5	3.2	114.1	E63 V102 G116 D118	E63-R104 IonicContact OE1-NH1 2.69Å; E63-R104 WeakPolarHBondContact OE2-CD 2.75Å; E63-R104 IonicContact OE2-CZ 3.53Å; E63-R104 IonicContact OE2-NE 2.58Å; E63-R104 IonicContact OE2-NH1 2.78Å; E63-R104 PolarHBondContact OE2-NH1 3.44Å; V102-R104 HydrophobicContact CG1-CG 4.41Å; R104-G116 PolarHBondContact N-O 2.96Å; R104-D118 WeakPolarHBondContact CG-OD1 3.32Å; R104-D118 IonicContact NE-OD1 3.48Å
105	C	94.1	Very high	87.2	Confident	10 Å²	10	37.2 Å²	37.2	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.9	-170.3	57.5	0	0	0	0	111.7	G116 L146 V148	C105-G116 PolarHBondContact O-N 2.92Å; C105-L146 WeakPolarHBondContact CB-O 3.27Å; C105-V148 HydrophobicContact CB-CG2 4.04Å
106	M	95.9	Very high	87.3	Confident	17 Å²	17	36.3 Å²	36.3	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.8	175.3	-67.3	-164.9	-71	0	0	111.1	S64 V66 T75 L81 I113 V114 V115	S64-M106 VanDerWaalsContact C-CE 3.48Å; S64-M106 VanDerWaalsContact O-CE 3.22Å; S64-M106 WeakPolarHBondContact O-CE 3.38Å; S64-M106 PolarHBondContact OG-N 2.98Å; S64-M106 VanDerWaalsContact OG-N 3.1Å; V66-M106 HydrophobicContact CB-CB 4.32Å; V66-M106 HydrophobicContact CB-CE 4.34Å; V66-M106 HydrophobicContact CG1-CB 4.36Å; V66-M106 HydrophobicContact CG1-CE 4.12Å; V66-M106 HydrophobicContact CG1-SD 4.24Å; T75-M106 HydrophobicContact CG2-CE 4.09Å; T75-M106 HydrophobicContact CG2-CG 3.99Å; T75-M106 HydrophobicContact CG2-SD 3.34Å; T75-M106 WeakPolarHBondContact CG2-SD 3.35Å; L81-M106 HydrophobicContact CD1-SD 3.62Å; M106-I113 HydrophobicContact SD-CG2 4.03Å; M106-V114 CarbonylContact C-O 3.56Å; M106-V114 WeakPolarHBondContact CA-O 3.04Å; M106-V115 HydrophobicContact CG-CB 4.5Å; M106-V115 HydrophobicContact CG-CG1 4.37Å; M106-V115 HydrophobicContact CG-CG2 4.03Å; M106-V115 HydrophobicContact SD-CG2 4.09Å
107	T	95.2	Very high	87.5	Confident	26 Å²	26	31.2 Å²	31.2	16%	0.16	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	166.7	166.3	-165	0	0	0	0	110.1	V114 V148 C150 L158	T107-V114 HydrophobicContact CG2-CB 3.91Å; T107-V114 HydrophobicContact CG2-CG2 4.28Å; T107-V114 PolarHBondContact N-O 2.88Å; T107-V114 PolarHBondContact O-N 3.42Å; T107-V148 HydrophobicContact CG2-CB 4.19Å; T107-V148 HydrophobicContact CG2-CG2 3.84Å; T107-C150 HydrophobicContact CG2-CB 4.37Å; T107-L158 HydrophobicContact CG2-CD1 4.14Å
108	V	93.4	Very high	87.7	Confident	28 Å²	28	31.4 Å²	31.4	17%	0.17	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.9	177	166.2	0	0	0	0	108.9	V66 M68 N112 I113 C150	V66-V108 HydrophobicContact CB-CG2 4.39Å; V66-V108 HydrophobicContact CG1-CG2 4.02Å; V66-V108 HydrophobicContact CG2-CB 4.33Å; V66-V108 HydrophobicContact CG2-CG2 3.48Å; V66-V108 VanDerWaalsContact CG2-CG2 3.48Å; M68-V108 HydrophobicContact CB-CG2 4.33Å; V108-N112 WeakPolarHBondContact CA-O 3.38Å; V108-I113 HydrophobicContact CG2-CG1 4.24Å; V108-C150 PolarHBondContact O-SG 3.01Å
109	F	89.7	Confident	88.1	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111	178.2	-177.8	-104.7	0	0	0	109.6	D111 N112 V114 F124 C150 G156 I172	F109-D111 PolarHBondContact O-N 3.04Å; F109-N112 PolarHBondContact N-O 3.42Å; F109-N112 WeakPolarHBondContact O-CB 3.28Å; F109-N112 PolarHBondContact O-N 3.15Å; F109-N112 PolarHBondContact O-ND2 3.44Å; F109-V114 HydrophobicContact CB-CG2 3.73Å; F109-F124 HydrophobicContact CB-CE1 4.4Å; F109-F124 AromaticContact CD1-CE1 3.97Å; F109-F124 HydrophobicContact CD1-CE1 3.97Å; F109-F124 HydrophobicContact CG-CE1 4.47Å; F109-C150 HydrophobicContact CB-CB 4.32Å; F109-C150 HydrophobicContact CD2-CB 3.63Å; F109-C150 HydrophobicContact CE2-CB 4.46Å; F109-C150 HydrophobicContact CG-CB 4.37Å; F109-G156 VanDerWaalsContact CE2-CA 3.49Å; F109-I172 HydrophobicContact CE1-CB 4.4Å; F109-I172 HydrophobicContact CE1-CG2 4.3Å
110	E	84.6	Confident	89	Confident	119 Å²	119	29.4 Å²	29.4	56%	0.556	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	-120.4	-171	-55.6	174.7	164.6	0	0	110.3
111	D	86.8	Confident	90.3	Very high	87 Å²	87	30.7 Å²	30.7	47%	0.465	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	13.7	176.7	-65.5	-41.6	0	0	0	114.2	M68 F109 T127	M68-D111 HydrophobicContact CE-CB 3.87Å; M68-D111 WeakPolarHBondContact CE-O 3.34Å; F109-D111 PolarHBondContact O-N 3.04Å; D111-T127 PolarHBondContact O-OG1 3.48Å
112	N	91.4	Very high	91.3	Very high	10 Å²	10	27 Å²	27	5%	0.053	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.9	-175.6	-48.8	-86.7	0	0	0	111.9	V108 F109 F124 F125 K135	V108-N112 WeakPolarHBondContact CA-O 3.38Å; F109-N112 PolarHBondContact N-O 3.42Å; F109-N112 WeakPolarHBondContact O-CB 3.28Å; F109-N112 PolarHBondContact O-N 3.15Å; F109-N112 PolarHBondContact O-ND2 3.44Å; N112-F124 HydrophobicContact CB-CD1 4.13Å; N112-F125 CarbonylContact C-O 3.59Å; N112-F125 VanDerWaalsContact CA-O 3.23Å; N112-F125 WeakPolarHBondContact CA-O 3.42Å; N112-F125 WeakPolarHBondContact CB-O 3.36Å; N112-K135 WeakPolarHBondContact OD1-CD 3.41Å
113	I	94.2	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.4	168.8	-62.1	167	0	0	0	108.2	V66 F73 L81 M106 V108 V115 F124 F125 T127	V66-I113 HydrophobicContact CG1-CD1 4.5Å; V66-I113 HydrophobicContact CG1-CG1 4.37Å; V66-I113 HydrophobicContact CG1-CG2 4.05Å; F73-I113 HydrophobicContact CB-CD1 4Å; F73-I113 HydrophobicContact CD1-CD1 3.61Å; F73-I113 HydrophobicContact CD2-CD1 3.37Å; F73-I113 HydrophobicContact CE1-CD1 3.81Å; F73-I113 HydrophobicContact CE2-CD1 3.59Å; F73-I113 HydrophobicContact CG-CD1 3.37Å; F73-I113 HydrophobicContact CZ-CD1 3.79Å; L81-I113 HydrophobicContact CD1-CG2 4.33Å; L81-I113 HydrophobicContact CD2-CD1 4.47Å; L81-I113 HydrophobicContact CD2-CG2 4.43Å; M106-I113 HydrophobicContact SD-CG2 4.03Å; V108-I113 HydrophobicContact CG2-CG1 4.24Å; I113-V115 HydrophobicContact CG2-CG2 4.07Å; I113-F124 CarbonylContact O-C 3.37Å; I113-F124 WeakPolarHBondContact O-CA 3.21Å; I113-F125 HydrophobicContact CB-CB 4.39Å; I113-F125 PolarHBondContact N-O 2.93Å; I113-F125 PolarHBondContact O-N 3.45Å; I113-T127 HydrophobicContact CD1-CG2 3.66Å; I113-T127 HydrophobicContact CG1-CG2 3.89Å
114	V	94.4	Very high	91.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.8	177.1	-172.4	0	0	0	0	108.4	M106 T107 F109 I122 F124 L158	M106-V114 CarbonylContact C-O 3.56Å; M106-V114 WeakPolarHBondContact CA-O 3.04Å; T107-V114 HydrophobicContact CG2-CB 3.91Å; T107-V114 HydrophobicContact CG2-CG2 4.28Å; T107-V114 PolarHBondContact N-O 2.88Å; T107-V114 PolarHBondContact O-N 3.42Å; F109-V114 HydrophobicContact CB-CG2 3.73Å; V114-I122 HydrophobicContact CG1-CG2 3.49Å; V114-I122 VanDerWaalsContact CG1-CG2 3.49Å; V114-F124 HydrophobicContact CB-CE1 4.47Å; V114-F124 HydrophobicContact CG1-CE1 4.43Å; V114-F124 HydrophobicContact CG1-CE2 4.14Å; V114-F124 HydrophobicContact CG1-CZ 4.01Å; V114-F124 HydrophobicContact CG2-CD1 3.67Å; V114-F124 HydrophobicContact CG2-CE1 3.32Å; V114-F124 HydrophobicContact CG2-CE2 4.45Å; V114-F124 HydrophobicContact CG2-CG 4.35Å; V114-F124 HydrophobicContact CG2-CZ 3.73Å; V114-L158 HydrophobicContact CG1-CD1 4.09Å; V114-L158 HydrophobicContact CG1-CD2 4.12Å
115	V	95	Very high	92.1	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.024	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.8	-179.1	-175.4	0	0	0	0	109.7	T75 L81 L97 A103 M106 I113 I122 T123 F125	T75-V115 HydrophobicContact CG2-CG1 3.99Å; T75-V115 HydrophobicContact CG2-CG2 4.29Å; L81-V115 HydrophobicContact CD1-CG2 4.37Å; L97-V115 HydrophobicContact CD1-CG1 4.01Å; L97-V115 HydrophobicContact CD2-CB 4.32Å; L97-V115 HydrophobicContact CD2-CG1 3.95Å; L97-V115 HydrophobicContact CD2-CG2 4.35Å; A103-V115 HydrophobicContact CB-CG1 3.5Å; A103-V115 VanDerWaalsContact CB-CG1 3.5Å; M106-V115 HydrophobicContact CG-CB 4.5Å; M106-V115 HydrophobicContact CG-CG1 4.37Å; M106-V115 HydrophobicContact CG-CG2 4.03Å; M106-V115 HydrophobicContact SD-CG2 4.09Å; I113-V115 HydrophobicContact CG2-CG2 4.07Å; V115-I122 WeakPolarHBondContact O-CA 3.43Å; V115-T123 PolarHBondContact N-O 2.88Å; V115-T123 PolarHBondContact O-N 3.43Å; V115-F125 HydrophobicContact CB-CE2 4.11Å; V115-F125 HydrophobicContact CG2-CD2 3.76Å; V115-F125 HydrophobicContact CG2-CE2 3.72Å
116	G	94.2	Very high	91.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.1	173	0	0	0	0	0	112.3	A103 R104 C105	A103-G116 WeakPolarHBondContact CA-O 3.45Å; R104-G116 PolarHBondContact N-O 2.96Å; C105-G116 PolarHBondContact O-N 2.92Å
117	S	92.2	Very high	91.2	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.035	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	161	-177.7	80.3	0	0	0	0	114.7	V102 E119 G120 F121 I145	V102-S117 WeakPolarHBondContact O-CA 3.48Å; S117-E119 PolarHBondContact O-N 3.22Å; S117-E119 PolarHBondContact OG-N 2.8Å; S117-G120 PolarHBondContact O-N 2.62Å; S117-F121 PolarHBondContact N-O 3.49Å; S117-F121 WeakPolarHBondContact OG-CB 3.44Å; S117-F121 PolarHBondContact OG-N 2.9Å; S117-F121 PolarHBondContact OG-O 2.91Å; S117-I145 PolarHBondContact O-N 3.25Å
118	D	91.4	Very high	90.5	Very high	25 Å²	25	26 Å²	26	13%	0.134	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.8	174.9	-98.5	32.9	0	0	0	113	V102 R104 K144	V102-D118 HydrophobicContact CB-CB 4.23Å; V102-D118 PolarHBondContact O-N 2.88Å; R104-D118 WeakPolarHBondContact CG-OD1 3.32Å; R104-D118 IonicContact NE-OD1 3.48Å; D118-K144 HydrophobicContact CB-CD 4.37Å; D118-K144 WeakPolarHBondContact O-CG 3.4Å; D118-K144 WeakPolarHBondContact OD2-CD 2.89Å; D118-K144 WeakPolarHBondContact OD2-CE 2.94Å; D118-K144 IonicContact OD2-NZ 2.79Å; D118-K144 PolarHBondContact OD2-NZ 3.33Å
119	E	89.3	Confident	89.5	Confident	71 Å²	71	31.8 Å²	31.8	33%	0.332	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5	176.7	-78.5	178.7	-163.9	0	0	114.2	S100 S117 F121 K140	S100-E119 VanDerWaalsContact CB-CD 3.48Å; S100-E119 WeakPolarHBondContact OG-CG 2.97Å; S117-E119 PolarHBondContact O-N 3.22Å; S117-E119 PolarHBondContact OG-N 2.8Å; E119-F121 HydrophobicContact CB-CD2 3.8Å; E119-F121 HydrophobicContact CB-CE2 3.98Å; E119-K140 WeakPolarHBondContact O-CD 3.35Å; E119-K140 WeakPolarHBondContact O-CE 3.32Å; E119-K140 WeakPolarHBondContact O-CG 3.45Å; E119-K140 PolarHBondContact O-NZ 2.96Å
120	G	90.5	Very high	88.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	87	10.6	179.5	0	0	0	0	0	113.9	S117 L141 G143	S117-G120 PolarHBondContact O-N 2.62Å; G120-L141 WeakPolarHBondContact O-CB 3.26Å; G120-L141 PolarHBondContact O-N 3.19Å; G120-G143 WeakPolarHBondContact CA-O 3.25Å; G120-G143 PolarHBondContact N-O 3.19Å
121	F	91.9	Very high	88.5	Confident	39 Å²	39	35.3 Å²	35.3	17%	0.171	18%	0.184	C	C	.	.			trans	-86.7	145.3	175.3	-65.9	-79	0	0	0	111.2	S117 E119 T137 K140	S117-F121 PolarHBondContact N-O 3.49Å; S117-F121 WeakPolarHBondContact OG-CB 3.44Å; S117-F121 PolarHBondContact OG-N 2.9Å; S117-F121 PolarHBondContact OG-O 2.91Å; E119-F121 HydrophobicContact CB-CD2 3.8Å; E119-F121 HydrophobicContact CB-CE2 3.98Å; F121-T137 HydrophobicContact CD1-CG2 3.97Å; F121-K140 HydrophobicContact CD1-CB 4.16Å; F121-K140 HydrophobicContact CE1-CB 3.75Å; F121-K140 HydrophobicContact CE2-CD 4.2Å; F121-K140 HydrophobicContact CZ-CB 4.04Å; F121-K140 HydrophobicContact CZ-CD 4.03Å; F121-K140 HydrophobicContact CZ-CG 4.4Å
122	I	92.5	Very high	88.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.6	168.8	-60.6	176.9	0	0	0	107.6	V114 V115 F124 T137 I138 L141 I145 L158 T160 I170	V114-I122 HydrophobicContact CG1-CG2 3.49Å; V114-I122 VanDerWaalsContact CG1-CG2 3.49Å; V115-I122 WeakPolarHBondContact O-CA 3.43Å; I122-F124 HydrophobicContact CG2-CE2 4.02Å; I122-T137 WeakPolarHBondContact O-CA 3.42Å; I122-I138 HydrophobicContact CB-CB 4.23Å; I122-I138 HydrophobicContact CB-CD1 4.16Å; I122-I138 HydrophobicContact CB-CG1 4.37Å; I122-I138 HydrophobicContact CG2-CD1 4.02Å; I122-I138 PolarHBondContact O-N 3.01Å; I122-L141 HydrophobicContact CD1-CD1 3.58Å; I122-L141 HydrophobicContact CG1-CD1 4.27Å; I122-I145 HydrophobicContact CD1-CD1 4.5Å; I122-I145 HydrophobicContact CG1-CD1 4.45Å; I122-I145 HydrophobicContact CG1-CG1 4.07Å; I122-I145 HydrophobicContact CG1-CG2 4.47Å; I122-L158 HydrophobicContact CD1-CD2 4.24Å; I122-L158 HydrophobicContact CG2-CD2 3.93Å; I122-T160 HydrophobicContact CD1-CG2 3.23Å; I122-I170 HydrophobicContact CD1-CD1 4.47Å
123	T	92.4	Very high	88.1	Confident	5 Å²	5	32.7 Å²	32.7	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132	-177.3	-57.5	0	0	0	0	110.5	V115 F125 P134 L136 T137	V115-T123 PolarHBondContact N-O 2.88Å; V115-T123 PolarHBondContact O-N 3.43Å; T123-F125 HydrophobicContact CG2-CD2 4.07Å; T123-F125 HydrophobicContact CG2-CE1 4.35Å; T123-F125 HydrophobicContact CG2-CE2 3.41Å; T123-F125 VanDerWaalsContact CG2-CE2 3.41Å; T123-F125 HydrophobicContact CG2-CZ 3.55Å; T123-P134 HydrophobicContact CG2-CB 4.07Å; T123-L136 CarbonylContact C-O 3.53Å; T123-L136 WeakPolarHBondContact CA-O 3.49Å; T123-T137 WeakPolarHBondContact CG2-OG1 3.42Å; T123-T137 PolarHBondContact OG1-OG1 2.87Å
124	F	92.2	Very high	87.9	Confident	6 Å²	6	36 Å²	36	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.4	173.2	-70.5	-107.8	0	0	0	108.9	F109 N112 I113 V114 I122 K135 L136 I138 L158 I172	F109-F124 HydrophobicContact CB-CE1 4.4Å; F109-F124 AromaticContact CD1-CE1 3.97Å; F109-F124 HydrophobicContact CD1-CE1 3.97Å; F109-F124 HydrophobicContact CG-CE1 4.47Å; N112-F124 HydrophobicContact CB-CD1 4.13Å; I113-F124 CarbonylContact O-C 3.37Å; I113-F124 WeakPolarHBondContact O-CA 3.21Å; V114-F124 HydrophobicContact CB-CE1 4.47Å; V114-F124 HydrophobicContact CG1-CE1 4.43Å; V114-F124 HydrophobicContact CG1-CE2 4.14Å; V114-F124 HydrophobicContact CG1-CZ 4.01Å; V114-F124 HydrophobicContact CG2-CD1 3.67Å; V114-F124 HydrophobicContact CG2-CE1 3.32Å; V114-F124 HydrophobicContact CG2-CE2 4.45Å; V114-F124 HydrophobicContact CG2-CG 4.35Å; V114-F124 HydrophobicContact CG2-CZ 3.73Å; I122-F124 HydrophobicContact CG2-CE2 4.02Å; F124-K135 PolarHBondContact O-N 2.99Å; F124-L136 HydrophobicContact CB-CB 4.12Å; F124-L136 HydrophobicContact CD2-CB 4.34Å; F124-L136 HydrophobicContact CD2-CD2 4.25Å; F124-L136 HydrophobicContact CD2-CG 4.42Å; F124-L136 HydrophobicContact CG-CB 4.42Å; F124-L136 PolarHBondContact N-O 3.24Å; F124-L136 PolarHBondContact O-N 2.81Å; F124-I138 HydrophobicContact CE2-CD1 3.85Å; F124-I138 HydrophobicContact CE2-CG1 4.14Å; F124-L158 HydrophobicContact CE2-CD2 4.48Å; F124-L158 HydrophobicContact CZ-CD2 4.12Å; F124-I172 HydrophobicContact CE1-CD1 3.89Å; F124-I172 HydrophobicContact CE2-CD1 4.35Å; F124-I172 HydrophobicContact CZ-CD1 3.36Å; F124-I172 HydrophobicContact CZ-CG1 4.19Å
125	F	92.1	Very high	87.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	174.4	-67.3	-94.4	0	0	0	109	L81 C95 L97 N112 I113 V115 T123 A133 P134	L81-F125 HydrophobicContact CD2-CB 3.78Å; L81-F125 HydrophobicContact CD2-CD1 3.85Å; L81-F125 HydrophobicContact CD2-CD2 3.81Å; L81-F125 HydrophobicContact CD2-CE1 4.44Å; L81-F125 HydrophobicContact CD2-CE2 4.39Å; L81-F125 HydrophobicContact CD2-CG 3.51Å; C95-F125 HydrophobicContact CB-CD1 4.41Å; C95-F125 HydrophobicContact CB-CE1 4.16Å; L97-F125 HydrophobicContact CD2-CE1 4.42Å; L97-F125 HydrophobicContact CD2-CE2 3.59Å; L97-F125 HydrophobicContact CD2-CZ 3.39Å; N112-F125 CarbonylContact C-O 3.59Å; N112-F125 VanDerWaalsContact CA-O 3.23Å; N112-F125 WeakPolarHBondContact CA-O 3.42Å; N112-F125 WeakPolarHBondContact CB-O 3.36Å; I113-F125 HydrophobicContact CB-CB 4.39Å; I113-F125 PolarHBondContact N-O 2.93Å; I113-F125 PolarHBondContact O-N 3.45Å; V115-F125 HydrophobicContact CB-CE2 4.11Å; V115-F125 HydrophobicContact CG2-CD2 3.76Å; V115-F125 HydrophobicContact CG2-CE2 3.72Å; T123-F125 HydrophobicContact CG2-CD2 4.07Å; T123-F125 HydrophobicContact CG2-CE1 4.35Å; T123-F125 HydrophobicContact CG2-CE2 3.41Å; T123-F125 VanDerWaalsContact CG2-CE2 3.41Å; T123-F125 HydrophobicContact CG2-CZ 3.55Å; F125-A133 CarbonylContact C-O 3.53Å; F125-A133 VanDerWaalsContact CA-O 3.26Å; F125-A133 WeakPolarHBondContact CA-O 3.48Å; F125-P134 HydrophobicContact CD1-CB 4.24Å; F125-P134 HydrophobicContact CE1-CB 3.88Å; F125-P134 HydrophobicContact CE1-CG 4.47Å; F125-P134 HydrophobicContact CZ-CB 4.42Å
126	S	89.6	Confident	87.3	Confident	18 Å²	18	43.1 Å²	43.1	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.2	169.7	159.9	0	0	0	0	108.9	D128 A133	S126-D128 VanDerWaalsContact OG-CG 3.25Å; S126-D128 PolarHBondContact OG-N 3.47Å; S126-D128 PolarHBondContact OG-OD2 3.05Å; S126-A133 PolarHBondContact N-O 2.76Å; S126-A133 PolarHBondContact O-N 3.12Å
127	T	82.5	Confident	87.1	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.049	24%	0.244	C	C	.	.			trans	-111.5	8.5	176.8	68.1	0	0	0	0	112.7	M68 R71 F73 D111 I113 K129	M68-T127 WeakPolarHBondContact CE-OG1 3.41Å; M68-T127 HydrophobicContact SD-CG2 3.5Å; M68-T127 WeakPolarHBondContact SD-CG2 3.5Å; M68-T127 PolarHBondContact SD-OG1 2.94Å; R71-T127 PolarHBondContact NH1-O 2.79Å; F73-T127 HydrophobicContact CZ-CG2 4.23Å; D111-T127 PolarHBondContact O-OG1 3.48Å; I113-T127 HydrophobicContact CD1-CG2 3.66Å; I113-T127 HydrophobicContact CG1-CG2 3.89Å; T127-K129 PolarHBondContact O-N 2.89Å; T127-K129 VanDerWaalsContact O-O 3.06Å
128	D	80.1	Confident	86.9	Confident	118 Å²	118	45.5 Å²	45.5	63%	0.631	24%	0.243	S	C	*	.	S	Bend	trans	-61.9	-28.8	179.8	-55	-43.2	0	0	0	111.8	S126	S126-D128 VanDerWaalsContact OG-CG 3.25Å; S126-D128 PolarHBondContact OG-N 3.47Å; S126-D128 PolarHBondContact OG-OD2 3.05Å
129	K	72.4	Confident	86.6	Confident	149 Å²	149	48.9 Å²	48.9	65%	0.648	27%	0.266	S	S	*	.	S	Bend	trans	-90.9	163.1	176.3	-64.8	-177.5	-178.5	177.4	0	111.1	T127 D131	T127-K129 PolarHBondContact O-N 2.89Å; T127-K129 VanDerWaalsContact O-O 3.06Å; K129-D131 PolarHBondContact O-N 3.49Å
130	T	74.4	Confident	86.6	Confident	108 Å²	108	51.6 Å²	51.6	66%	0.663	28%	0.277	S	S	*	.	S	Bend	trans	-55.8	-36.8	173.8	49.6	0	0	0	0	112.2
131	D	79.4	Confident	86.4	Confident	89 Å²	89	52.8 Å²	52.8	48%	0.476	28%	0.283	S	S	.	.	S	Bend	trans	-109.2	139.6	178.2	-61.8	-42.7	0	0	0	111.4	K129 A133	K129-D131 PolarHBondContact O-N 3.49Å; D131-A133 PolarHBondContact O-N 2.74Å
132	P	83.4	Confident	86.2	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.032	30%	0.3	C	S	.	.			trans	-64.8	131.7	175.7	25.5	-32	0	0	0	110.9	F73 L81 C95	F73-P132 HydrophobicContact CE1-CB 4.38Å; F73-P132 HydrophobicContact CE1-CG 4.39Å; L81-P132 HydrophobicContact CD2-CB 4Å; C95-P132 HydrophobicContact CB-CB 4.43Å; C95-P132 HydrophobicContact CB-CG 4.15Å; C95-P132 WeakPolarHBondContact CB-O 3.08Å; C95-P132 PolarHBondContact SG-O 3.02Å
133	A	87	Confident	86	Confident	36 Å²	36	55.9 Å²	55.9	30%	0.298	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141.6	179.1	0	0	0	0	0	111.3	F125 S126 D131 K135	F125-A133 CarbonylContact C-O 3.53Å; F125-A133 VanDerWaalsContact CA-O 3.26Å; F125-A133 WeakPolarHBondContact CA-O 3.48Å; S126-A133 PolarHBondContact N-O 2.76Å; S126-A133 PolarHBondContact O-N 3.12Å; D131-A133 PolarHBondContact O-N 2.74Å; A133-K135 PolarHBondContact O-N 3.3Å
134	P	88.2	Confident	86.1	Confident	70 Å²	70	59.8 Å²	59.8	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.5	177.9	29.4	-34.2	0	0	0	109.5	T123 F125	T123-P134 HydrophobicContact CG2-CB 4.07Å; F125-P134 HydrophobicContact CD1-CB 4.24Å; F125-P134 HydrophobicContact CE1-CB 3.88Å; F125-P134 HydrophobicContact CE1-CG 4.47Å; F125-P134 HydrophobicContact CZ-CB 4.42Å
135	K	88.4	Confident	86.2	Confident	117 Å²	117	59.5 Å²	59.5	51%	0.509	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-46.3	179.7	-177.9	-178.5	179.9	178.2	0	111.6	N112 F124 A133	N112-K135 WeakPolarHBondContact OD1-CD 3.41Å; F124-K135 PolarHBondContact O-N 2.99Å; A133-K135 PolarHBondContact O-N 3.3Å
136	L	88.9	Confident	86.3	Confident	37 Å²	37	60.3 Å²	60.3	19%	0.194	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.7	-174.9	175.7	68.3	0	0	0	109.6	T123 F124	T123-L136 CarbonylContact C-O 3.53Å; T123-L136 WeakPolarHBondContact CA-O 3.49Å; F124-L136 HydrophobicContact CB-CB 4.12Å; F124-L136 HydrophobicContact CD2-CB 4.34Å; F124-L136 HydrophobicContact CD2-CD2 4.25Å; F124-L136 HydrophobicContact CD2-CG 4.42Å; F124-L136 HydrophobicContact CG-CB 4.42Å; F124-L136 PolarHBondContact N-O 3.24Å; F124-L136 PolarHBondContact O-N 2.81Å
137	T	89.7	Confident	86.6	Confident	51 Å²	51	59.8 Å²	59.8	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.7	169.8	-62.7	0	0	0	0	108.3	V98 F121 I122 T123	V98-T137 HydrophobicContact CG1-CG2 4.44Å; F121-T137 HydrophobicContact CD1-CG2 3.97Å; I122-T137 WeakPolarHBondContact O-CA 3.42Å; T123-T137 WeakPolarHBondContact CG2-OG1 3.42Å; T123-T137 PolarHBondContact OG1-OG1 2.87Å
138	I	89	Confident	87.3	Confident	4 Å²	4	60 Å²	60	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	143.5	175.1	-60	-176.8	0	0	0	108.4	I122 F124 L158 I170	I122-I138 HydrophobicContact CB-CB 4.23Å; I122-I138 HydrophobicContact CB-CD1 4.16Å; I122-I138 HydrophobicContact CB-CG1 4.37Å; I122-I138 HydrophobicContact CG2-CD1 4.02Å; I122-I138 PolarHBondContact O-N 3.01Å; F124-I138 HydrophobicContact CE2-CD1 3.85Å; F124-I138 HydrophobicContact CE2-CG1 4.14Å; I138-L158 HydrophobicContact CD1-CD2 4.27Å; I138-I170 HydrophobicContact CD1-CD1 3.98Å; I138-I170 HydrophobicContact CD1-CG2 4.24Å; I138-I170 HydrophobicContact CG2-CD1 4.45Å
139	P	85.2	Confident	88	Confident	95 Å²	95	54.7 Å²	54.7	62%	0.617	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-49.2	142.4	172.3	-28	35.3	0	0	0	112.3	L141	P139-L141 PolarHBondContact O-N 3.39Å
140	K	88.5	Confident	89	Confident	129 Å²	129	48.3 Å²	48.3	56%	0.561	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-52.4	122.2	-177.5	176.3	168.5	171.3	157.4	0	111.6	E119 F121	E119-K140 WeakPolarHBondContact O-CD 3.35Å; E119-K140 WeakPolarHBondContact O-CE 3.32Å; E119-K140 WeakPolarHBondContact O-CG 3.45Å; E119-K140 PolarHBondContact O-NZ 2.96Å; F121-K140 HydrophobicContact CD1-CB 4.16Å; F121-K140 HydrophobicContact CE1-CB 3.75Å; F121-K140 HydrophobicContact CE2-CD 4.2Å; F121-K140 HydrophobicContact CZ-CB 4.04Å; F121-K140 HydrophobicContact CZ-CD 4.03Å; F121-K140 HydrophobicContact CZ-CG 4.4Å
141	L	87.4	Confident	89.7	Confident	24 Å²	24	44.6 Å²	44.6	13%	0.126	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-86.7	164.2	174.3	-57.4	173.8	0	0	0	110.7	G120 I122 P139 I145 L168 I170	G120-L141 WeakPolarHBondContact O-CB 3.26Å; G120-L141 PolarHBondContact O-N 3.19Å; I122-L141 HydrophobicContact CD1-CD1 3.58Å; I122-L141 HydrophobicContact CG1-CD1 4.27Å; P139-L141 PolarHBondContact O-N 3.39Å; L141-I145 HydrophobicContact CB-CD1 4.15Å; L141-I145 HydrophobicContact CD1-CD1 3.94Å; L141-L168 HydrophobicContact CB-CD1 4.33Å; L141-L168 HydrophobicContact CD1-CD1 3.83Å; L141-L168 HydrophobicContact CD2-CD1 3.99Å; L141-L168 HydrophobicContact CG-CD1 4.26Å; L141-I170 HydrophobicContact CD1-CD1 4.35Å
142	S	86.8	Confident	89.4	Confident	74 Å²	74	46.5 Å²	46.5	52%	0.517	26%	0.261	S	S	.	.	S	Bend	trans	-78.3	126.6	178.1	59.1	0	0	0	0	111.9
143	G	89.3	Confident	88.5	Confident	30 Å²	30	53.7 Å²	53.7	31%	0.309	29%	0.294	S	S	.	.	S	Bend	trans	84	-178.5	178.5	0	0	0	0	0	113.8	G120	G120-G143 WeakPolarHBondContact CA-O 3.25Å; G120-G143 PolarHBondContact N-O 3.19Å
144	K	92.9	Very high	87.1	Confident	88 Å²	88	59.1 Å²	59.1	38%	0.383	32%	0.318	S	S	.	.			trans	-77.6	140.6	178.7	-47.8	-169.5	165.2	-158.4	0	109.9	D118 L146 T162 S163	D118-K144 HydrophobicContact CB-CD 4.37Å; D118-K144 WeakPolarHBondContact O-CG 3.4Å; D118-K144 WeakPolarHBondContact OD2-CD 2.89Å; D118-K144 WeakPolarHBondContact OD2-CE 2.94Å; D118-K144 IonicContact OD2-NZ 2.79Å; D118-K144 PolarHBondContact OD2-NZ 3.33Å; K144-L146 HydrophobicContact CB-CD2 4.12Å; K144-L146 PolarHBondContact O-N 2.78Å; K144-T162 CarbonylContact O-C 3.57Å; K144-T162 WeakPolarHBondContact O-CA 3.41Å; K144-S163 PolarHBondContact N-OG 3.28Å; K144-S163 PolarHBondContact O-N 2.95Å
145	I	94.5	Very high	85.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.6	170.8	-48.3	-53.4	0	0	0	108.5	S117 I122 L141 V148 T162	S117-I145 PolarHBondContact O-N 3.25Å; I122-I145 HydrophobicContact CD1-CD1 4.5Å; I122-I145 HydrophobicContact CG1-CD1 4.45Å; I122-I145 HydrophobicContact CG1-CG1 4.07Å; I122-I145 HydrophobicContact CG1-CG2 4.47Å; L141-I145 HydrophobicContact CB-CD1 4.15Å; L141-I145 HydrophobicContact CD1-CD1 3.94Å; I145-V148 HydrophobicContact CG2-CG1 3.73Å; I145-T162 HydrophobicContact CD1-CG2 4.12Å
146	L	95.1	Very high	85.5	Confident	17 Å²	17	55.1 Å²	55.1	9%	0.089	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-31.6	-175.6	-62.7	-178.9	0	0	0	112.2	C105 K144 G161 L191 I192 W193	C105-L146 WeakPolarHBondContact CB-O 3.27Å; K144-L146 HydrophobicContact CB-CD2 4.12Å; K144-L146 PolarHBondContact O-N 2.78Å; L146-G161 PolarHBondContact N-O 2.82Å; L146-L191 HydrophobicContact CD1-CB 3.74Å; L146-L191 HydrophobicContact CD1-CD2 4.27Å; L146-L191 HydrophobicContact CD1-CG 4.46Å; L146-I192 VanDerWaalsContact CB-O 3.31Å; L146-I192 WeakPolarHBondContact CB-O 3.45Å; L146-W193 HydrophobicContact CB-CE3 4.45Å; L146-W193 HydrophobicContact CD1-CD2 4.47Å; L146-W193 HydrophobicContact CD1-CE3 4.13Å; L146-W193 HydrophobicContact CD1-CZ3 4.18Å; L146-W193 HydrophobicContact CD2-CZ3 4.05Å
147	S	96.3	Very high	85.5	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.2	-179.9	51.2	0	0	0	0	111.7	T160 G161 I192 W193 L195	S147-T160 WeakPolarHBondContact O-CA 3.37Å; S147-G161 PolarHBondContact N-O 2.96Å; S147-G161 PolarHBondContact O-N 2.91Å; S147-I192 PolarHBondContact OG-O 3.33Å; S147-W193 WeakPolarHBondContact CB-O 3.5Å; S147-L195 WeakPolarHBondContact OG-CG 3.42Å
148	V	96.2	Very high	85.6	Confident	13 Å²	13	51.8 Å²	51.8	8%	0.079	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.2	173.8	-70.1	0	0	0	0	109.4	C105 T107 I145 L158 A159 T160	C105-V148 HydrophobicContact CB-CG2 4.04Å; T107-V148 HydrophobicContact CG2-CB 4.19Å; T107-V148 HydrophobicContact CG2-CG2 3.84Å; I145-V148 HydrophobicContact CG2-CG1 3.73Å; V148-L158 HydrophobicContact CB-CD1 4.43Å; V148-A159 WeakPolarHBondContact CA-O 3.47Å; V148-T160 HydrophobicContact CG1-CG2 4.45Å
149	A	95.6	Very high	85.9	Confident	6 Å²	6	51.6 Å²	51.6	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	150.1	173.2	0	0	0	0	0	109.4	A159 L195 F197	A149-A159 PolarHBondContact N-O 3.13Å; A149-A159 PolarHBondContact O-N 2.92Å; A149-L195 HydrophobicContact CB-CB 3.73Å; A149-F197 HydrophobicContact CB-CD2 3.85Å; A149-F197 HydrophobicContact CB-CE2 4.3Å; A149-F197 WeakPolarHBondContact O-CE2 2.97Å
150	C	93.1	Very high	86.4	Confident	16 Å²	16	47.1 Å²	47.1	11%	0.108	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152	178.3	59.4	0	0	0	0	112.2	T107 V108 F109 I157 L158 F197	T107-C150 HydrophobicContact CG2-CB 4.37Å; V108-C150 PolarHBondContact O-SG 3.01Å; F109-C150 HydrophobicContact CB-CB 4.32Å; F109-C150 HydrophobicContact CD2-CB 3.63Å; F109-C150 HydrophobicContact CE2-CB 4.46Å; F109-C150 HydrophobicContact CG-CB 4.37Å; C150-I157 VanDerWaalsContact CA-O 3.3Å; C150-I157 WeakPolarHBondContact CA-O 3.37Å; C150-L158 HydrophobicContact CB-CD1 4.18Å; C150-F197 VanDerWaalsContact C-CD2 3.43Å
151	T	88.6	Confident	86.7	Confident	30 Å²	30	41 Å²	41	18%	0.184	22%	0.221	C	C	.	.			trans	-105.7	143.4	171.4	-176.7	0	0	0	0	110.8	Q153 I157 F197	T151-Q153 PolarHBondContact OG1-N 2.82Å; T151-I157 HydrophobicContact CG2-CB 3.63Å; T151-I157 HydrophobicContact CG2-CD1 4.33Å; T151-I157 HydrophobicContact CG2-CG1 4.1Å; T151-I157 PolarHBondContact N-O 3.02Å; T151-F197 HydrophobicContact CG2-CE1 4.49Å
152	H	73.5	Confident	87	Confident	128 Å²	128	39.8 Å²	39.8	59%	0.593	22%	0.215	S	C	*	.			trans	-98.3	-11.4	175.1	-62.3	-67.1	0	0	0	113.4
153	Q	65.1	Low	87.3	Confident	156 Å²	156	37.7 Å²	37.7	73%	0.729	20%	0.201	S	C	*	.	S	Bend	trans	-88.6	-17	-156.9	-87.8	-173	-23.1	0	0	117.9	T151	T151-Q153 PolarHBondContact OG1-N 2.82Å
154	D	56.5	Low	87.4	Confident	150 Å²	150	39.4 Å²	39.4	80%	0.802	21%	0.205	S	C	*	.	S	Bend	trans	-155.9	-22.3	176.9	-90.8	-46	0	0	0	118.6
155	E	63.3	Low	87.3	Confident	93 Å²	93	35.6 Å²	35.6	44%	0.435	19%	0.191	S	C	.	.	S	Bend	trans	-150.4	13.4	178.9	-63.6	-154.3	122.5	0	0	115.4	I157 R173	E155-I157 HydrophobicContact CB-CG1 4.38Å; E155-R173 IonicContact OE1-CZ 3.75Å; E155-R173 IonicContact OE1-NH2 2.71Å; E155-R173 PolarHBondContact OE1-NH2 2.79Å
156	G	79.6	Confident	87.1	Confident	10 Å²	10	36.2 Å²	36.2	10%	0.103	20%	0.195	C	C	.	.			trans	60.2	63	-178.6	0	0	0	0	0	113.1	F109 I172	F109-G156 VanDerWaalsContact CE2-CA 3.49Å; G156-I172 PolarHBondContact O-N 2.85Å
157	I	89.2	Confident	87.1	Confident	19 Å²	19	35.4 Å²	35.4	10%	0.097	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.1	-178.8	-52.9	167.9	0	0	0	109.4	C150 T151 E155 L169 I170 M180 F197	C150-I157 VanDerWaalsContact CA-O 3.3Å; C150-I157 WeakPolarHBondContact CA-O 3.37Å; T151-I157 HydrophobicContact CG2-CB 3.63Å; T151-I157 HydrophobicContact CG2-CD1 4.33Å; T151-I157 HydrophobicContact CG2-CG1 4.1Å; T151-I157 PolarHBondContact N-O 3.02Å; E155-I157 HydrophobicContact CB-CG1 4.38Å; I157-L169 HydrophobicContact CG2-CB 4.39Å; I157-L169 HydrophobicContact CG2-CD2 4.31Å; I157-I170 WeakPolarHBondContact CA-O 2.98Å; I157-M180 HydrophobicContact CB-CE 4.23Å; I157-M180 HydrophobicContact CD1-CE 3.89Å; I157-M180 HydrophobicContact CG1-CE 3.75Å; I157-M180 HydrophobicContact CG2-CE 3.51Å; I157-F197 HydrophobicContact CB-CZ 4.5Å; I157-F197 HydrophobicContact CG2-CZ 4.11Å
158	L	93.1	Very high	86.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.8	169	-179.7	77.8	0	0	0	109.4	T107 V114 I122 F124 I138 V148 C150 T160 I170 I172	T107-L158 HydrophobicContact CG2-CD1 4.14Å; V114-L158 HydrophobicContact CG1-CD1 4.09Å; V114-L158 HydrophobicContact CG1-CD2 4.12Å; I122-L158 HydrophobicContact CD1-CD2 4.24Å; I122-L158 HydrophobicContact CG2-CD2 3.93Å; F124-L158 HydrophobicContact CE2-CD2 4.48Å; F124-L158 HydrophobicContact CZ-CD2 4.12Å; I138-L158 HydrophobicContact CD1-CD2 4.27Å; V148-L158 HydrophobicContact CB-CD1 4.43Å; C150-L158 HydrophobicContact CB-CD1 4.18Å; L158-T160 HydrophobicContact CD2-CG2 3.88Å; L158-T160 HydrophobicContact CG-CG2 3.99Å; L158-I170 HydrophobicContact CB-CB 4.49Å; L158-I170 PolarHBondContact N-O 3.09Å; L158-I170 PolarHBondContact O-N 3.22Å; L158-I172 HydrophobicContact CB-CD1 3.48Å; L158-I172 VanDerWaalsContact CB-CD1 3.48Å; L158-I172 HydrophobicContact CD2-CD1 4.21Å; L158-I172 HydrophobicContact CG-CD1 4.4Å
159	A	94.7	Very high	86.8	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.8	169.4	0	0	0	0	0	110.2	V148 A149 L168 L169 L195 F197 L202	V148-A159 WeakPolarHBondContact CA-O 3.47Å; A149-A159 PolarHBondContact N-O 3.13Å; A149-A159 PolarHBondContact O-N 2.92Å; A159-L168 CarbonylContact C-O 3.55Å; A159-L168 WeakPolarHBondContact CA-O 3.42Å; A159-L169 HydrophobicContact CB-CD2 3.72Å; A159-L195 HydrophobicContact CB-CD1 4.06Å; A159-F197 HydrophobicContact CB-CE2 3.51Å; A159-F197 HydrophobicContact CB-CZ 3.8Å; A159-L202 HydrophobicContact CB-CD1 3.81Å; A159-L202 HydrophobicContact CB-CD2 3.61Å; A159-L202 HydrophobicContact CB-CG 4.4Å
160	T	95.6	Very high	86.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.5	-177.1	80.6	0	0	0	0	109.7	I122 S147 V148 L158 L167 L168 I170	I122-T160 HydrophobicContact CD1-CG2 3.23Å; S147-T160 WeakPolarHBondContact O-CA 3.37Å; V148-T160 HydrophobicContact CG1-CG2 4.45Å; L158-T160 HydrophobicContact CD2-CG2 3.88Å; L158-T160 HydrophobicContact CG-CG2 3.99Å; T160-L167 WeakPolarHBondContact O-CA 3.49Å; T160-L168 PolarHBondContact N-O 2.92Å; T160-L168 PolarHBondContact O-N 3.35Å; T160-L168 WeakPolarHBondContact OG1-CB 3.15Å; T160-I170 HydrophobicContact CG2-CD1 4.01Å
161	G	95.1	Very high	86.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	180	0	0	0	0	0	110.1	L146 S147	L146-G161 PolarHBondContact N-O 2.82Å; S147-G161 PolarHBondContact N-O 2.96Å; S147-G161 PolarHBondContact O-N 2.91Å
162	T	94.1	Very high	86.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	165.4	-174.3	73	0	0	0	0	113.4	K144 I145 T164 G165 S166 L168 I192	K144-T162 CarbonylContact O-C 3.57Å; K144-T162 WeakPolarHBondContact O-CA 3.41Å; I145-T162 HydrophobicContact CD1-CG2 4.12Å; T162-T164 PolarHBondContact O-N 3.32Å; T162-T164 PolarHBondContact OG1-N 2.92Å; T162-T164 PolarHBondContact OG1-OG1 2.81Å; T162-G165 PolarHBondContact O-N 2.82Å; T162-S166 PolarHBondContact N-O 2.77Å; T162-S166 WeakPolarHBondContact OG1-CB 3.42Å; T162-S166 PolarHBondContact OG1-N 3.08Å; T162-S166 VanDerWaalsContact OG1-N 3.15Å; T162-S166 PolarHBondContact OG1-O 2.89Å; T162-L168 HydrophobicContact CG2-CD1 4.33Å; T162-I192 PolarHBondContact O-N 3.29Å
163	S	92.8	Very high	86.4	Confident	30 Å²	30	34.4 Å²	34.4	21%	0.21	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-2.7	168.8	70.5	0	0	0	0	114.3	K144 L191	K144-S163 PolarHBondContact N-OG 3.28Å; K144-S163 PolarHBondContact O-N 2.95Å; S163-L191 WeakPolarHBondContact O-CD2 3.48Å
164	T	90.9	Very high	86.8	Confident	65 Å²	65	34.6 Å²	34.6	40%	0.399	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.4	175.3	57.8	0	0	0	0	112.3	T162 S166 C190	T162-T164 PolarHBondContact O-N 3.32Å; T162-T164 PolarHBondContact OG1-N 2.92Å; T162-T164 PolarHBondContact OG1-OG1 2.81Å; T164-S166 VanDerWaalsContact C-N 3.29Å; T164-S166 PolarHBondContact OG1-OG 3.2Å; T164-C190 CarbonylContact C-O 3.58Å
165	G	90.5	Very high	87.5	Confident	8 Å²	8	31 Å²	31	8%	0.082	17%	0.169	C	C	.	.	S	Bend	trans	78.5	16.3	-175	0	0	0	0	0	113	T162 C190	T162-G165 PolarHBondContact O-N 2.82Å; G165-C190 WeakPolarHBondContact CA-O 3.3Å; G165-C190 PolarHBondContact N-O 3.48Å
166	S	91.2	Very high	88.1	Confident	13 Å²	13	31.3 Å²	31.3	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.5	178.9	-47.9	0	0	0	0	109.7	T162 T164 T184	T162-S166 PolarHBondContact N-O 2.77Å; T162-S166 WeakPolarHBondContact OG1-CB 3.42Å; T162-S166 PolarHBondContact OG1-N 3.08Å; T162-S166 VanDerWaalsContact OG1-N 3.15Å; T162-S166 PolarHBondContact OG1-O 2.89Å; T164-S166 VanDerWaalsContact C-N 3.29Å; T164-S166 PolarHBondContact OG1-OG 3.2Å; S166-T184 WeakPolarHBondContact OG-CG2 3.37Å
167	L	93.5	Very high	88.3	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.6	169.5	-169	156.4	0	0	0	107.8	T160 L169 L183 I192 L195 L202	T160-L167 WeakPolarHBondContact O-CA 3.49Å; L167-L169 HydrophobicContact CD2-CD2 3.72Å; L167-L169 HydrophobicContact CD2-CG 3.95Å; L167-L183 HydrophobicContact CB-CB 4.2Å; L167-L183 HydrophobicContact CD2-CD1 3.93Å; L167-L183 HydrophobicContact CD2-CG 4.36Å; L167-L183 PolarHBondContact N-O 3Å; L167-L183 PolarHBondContact O-N 3.41Å; L167-I192 HydrophobicContact CB-CD1 3.8Å; L167-L195 HydrophobicContact CD1-CD2 3.52Å; L167-L195 HydrophobicContact CG-CD2 4.22Å; L167-L202 HydrophobicContact CD1-CD2 3.89Å; L167-L202 HydrophobicContact CD2-CD2 3.58Å; L167-L202 HydrophobicContact CG-CD2 4.27Å
168	L	93.3	Very high	88	Confident	11 Å²	11	38.9 Å²	38.9	6%	0.058	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.8	178.4	-64.8	145.8	0	0	0	109.4	L141 A159 T160 T162 I170 V179 F181 T182	L141-L168 HydrophobicContact CB-CD1 4.33Å; L141-L168 HydrophobicContact CD1-CD1 3.83Å; L141-L168 HydrophobicContact CD2-CD1 3.99Å; L141-L168 HydrophobicContact CG-CD1 4.26Å; A159-L168 CarbonylContact C-O 3.55Å; A159-L168 WeakPolarHBondContact CA-O 3.42Å; T160-L168 PolarHBondContact N-O 2.92Å; T160-L168 PolarHBondContact O-N 3.35Å; T160-L168 WeakPolarHBondContact OG1-CB 3.15Å; T162-L168 HydrophobicContact CG2-CD1 4.33Å; L168-I170 HydrophobicContact CB-CG1 4.49Å; L168-V179 HydrophobicContact CD2-CG1 3.89Å; L168-F181 WeakPolarHBondContact CA-O 3.02Å; L168-T182 HydrophobicContact CD2-CG2 3.76Å; L168-T182 WeakPolarHBondContact CD2-OG1 3.43Å; L168-T182 HydrophobicContact CG-CG2 4.49Å
169	L	93.4	Very high	87.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.4	171.1	-62.2	179.5	0	0	0	108.6	I157 A159 L167 M180 F181 L183 F197 L202 A216	I157-L169 HydrophobicContact CG2-CB 4.39Å; I157-L169 HydrophobicContact CG2-CD2 4.31Å; A159-L169 HydrophobicContact CB-CD2 3.72Å; L167-L169 HydrophobicContact CD2-CD2 3.72Å; L167-L169 HydrophobicContact CD2-CG 3.95Å; L169-M180 HydrophobicContact CB-CE 3.97Å; L169-M180 PolarHBondContact O-N 3.03Å; L169-F181 HydrophobicContact CB-CB 4.3Å; L169-F181 HydrophobicContact CB-CD2 4.35Å; L169-F181 HydrophobicContact CD1-CB 4.28Å; L169-F181 HydrophobicContact CD1-CD2 3.88Å; L169-F181 PolarHBondContact N-O 3.08Å; L169-F181 PolarHBondContact O-N 3.27Å; L169-L183 HydrophobicContact CD1-CD1 4.27Å; L169-F197 HydrophobicContact CD2-CZ 4.4Å; L169-L202 HydrophobicContact CD2-CD2 3.64Å; L169-A216 HydrophobicContact CD1-CB 4.17Å
170	I	91.6	Very high	87	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	120.4	-174.2	-51.9	178.5	0	0	0	107.9	I122 I138 L141 I157 L158 T160 L168 I172 K178 V179	I122-I170 HydrophobicContact CD1-CD1 4.47Å; I138-I170 HydrophobicContact CD1-CD1 3.98Å; I138-I170 HydrophobicContact CD1-CG2 4.24Å; I138-I170 HydrophobicContact CG2-CD1 4.45Å; L141-I170 HydrophobicContact CD1-CD1 4.35Å; I157-I170 WeakPolarHBondContact CA-O 2.98Å; L158-I170 HydrophobicContact CB-CB 4.49Å; L158-I170 PolarHBondContact N-O 3.09Å; L158-I170 PolarHBondContact O-N 3.22Å; T160-I170 HydrophobicContact CG2-CD1 4.01Å; L168-I170 HydrophobicContact CB-CG1 4.49Å; I170-I172 HydrophobicContact CG2-CG1 4.31Å; I170-K178 CarbonylContact C-O 3.57Å; I170-K178 WeakPolarHBondContact CA-O 3.07Å; I170-V179 HydrophobicContact CG1-CG2 4.35Å
171	S	89	Confident	86.6	Confident	17 Å²	17	47.9 Å²	47.9	12%	0.119	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	133.6	167.9	175.8	0	0	0	0	109.1	S177 K178	S171-S177 WeakPolarHBondContact O-CA 3.42Å; S171-K178 PolarHBondContact N-O 3.14Å; S171-K178 PolarHBondContact O-N 2.85Å
172	I	83.8	Confident	86.2	Confident	18 Å²	18	51.9 Å²	51.9	9%	0.092	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.4	179	-59.6	146.5	0	0	0	107.6	F109 F124 G156 L158 I170	F109-I172 HydrophobicContact CE1-CB 4.4Å; F109-I172 HydrophobicContact CE1-CG2 4.3Å; F124-I172 HydrophobicContact CE1-CD1 3.89Å; F124-I172 HydrophobicContact CE2-CD1 4.35Å; F124-I172 HydrophobicContact CZ-CD1 3.36Å; F124-I172 HydrophobicContact CZ-CG1 4.19Å; G156-I172 PolarHBondContact O-N 2.85Å; L158-I172 HydrophobicContact CB-CD1 3.48Å; L158-I172 VanDerWaalsContact CB-CD1 3.48Å; L158-I172 HydrophobicContact CD2-CD1 4.21Å; L158-I172 HydrophobicContact CG-CD1 4.4Å; I170-I172 HydrophobicContact CG2-CG1 4.31Å
173	R	79.2	Confident	85.7	Confident	132 Å²	132	52.8 Å²	52.8	50%	0.498	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	135.6	174.4	-71.1	-173.1	178.5	-120	9.9	109.6	E155 S175 V176	E155-R173 IonicContact OE1-CZ 3.75Å; E155-R173 IonicContact OE1-NH2 2.71Å; E155-R173 PolarHBondContact OE1-NH2 2.79Å; R173-S175 PolarHBondContact O-N 2.95Å; R173-S175 VanDerWaalsContact O-N 3.11Å; R173-V176 PolarHBondContact N-O 3.3Å; R173-V176 VanDerWaalsContact N-O 3.09Å; R173-V176 WeakPolarHBondContact O-CA 3.28Å; R173-V176 WeakPolarHBondContact O-CB 3.26Å; R173-V176 PolarHBondContact O-N 3.49Å; R173-V176 VanDerWaalsContact O-O 3.12Å
174	D	73	Confident	85	Confident	159 Å²	159	55.3 Å²	55.3	85%	0.85	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	41.3	174.1	-58.5	-34.9	0	0	0	114.6	V176	D174-V176 PolarHBondContact O-N 3.03Å
175	S	70.5	Confident	84	Confident	74 Å²	74	55.1 Å²	55.1	52%	0.517	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	9	-175.3	-45.2	0	0	0	0	115.8	R173	R173-S175 PolarHBondContact O-N 2.95Å; R173-S175 VanDerWaalsContact O-N 3.11Å
176	V	77.1	Confident	82.5	Confident	101 Å²	101	59.9 Å²	59.9	61%	0.612	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.9	171	-176.7	0	0	0	0	108.9	R173 D174	R173-V176 PolarHBondContact N-O 3.3Å; R173-V176 VanDerWaalsContact N-O 3.09Å; R173-V176 WeakPolarHBondContact O-CA 3.28Å; R173-V176 WeakPolarHBondContact O-CB 3.26Å; R173-V176 PolarHBondContact O-N 3.49Å; R173-V176 VanDerWaalsContact O-O 3.12Å; D174-V176 PolarHBondContact O-N 3.03Å
177	S	82.2	Confident	81.1	Confident	34 Å²	34	66.5 Å²	66.5	24%	0.238	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	126.9	172.7	61.2	0	0	0	0	110.3	S171	S171-S177 WeakPolarHBondContact O-CA 3.42Å
178	K	83.8	Confident	79.9	Confident	154 Å²	154	73.4 Å²	73.4	67%	0.67	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.4	173.1	-176.1	-178.7	175.8	-172.5	0	110	I170 S171 M180	I170-K178 CarbonylContact C-O 3.57Å; I170-K178 WeakPolarHBondContact CA-O 3.07Å; S171-K178 PolarHBondContact N-O 3.14Å; S171-K178 PolarHBondContact O-N 2.85Å; K178-M180 PolarHBondContact O-N 3.04Å
179	V	83.3	Confident	79.4	Confident	67 Å²	67	78.1 Å²	78.1	41%	0.406	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.9	169.4	-177.1	0	0	0	0	108	L168 I170	L168-V179 HydrophobicContact CD2-CG1 3.89Å; I170-V179 HydrophobicContact CG1-CG2 4.35Å
180	M	83.5	Confident	79.2	Confident	56 Å²	56	78.4 Å²	78.4	28%	0.276	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-50.4	176.6	-60.7	-170.4	-63	0	0	110.5	I157 L169 K178	I157-M180 HydrophobicContact CB-CE 4.23Å; I157-M180 HydrophobicContact CD1-CE 3.89Å; I157-M180 HydrophobicContact CG1-CE 3.75Å; I157-M180 HydrophobicContact CG2-CE 3.51Å; L169-M180 HydrophobicContact CB-CE 3.97Å; L169-M180 PolarHBondContact O-N 3.03Å; K178-M180 PolarHBondContact O-N 3.04Å
181	F	87.1	Confident	79.3	Confident	66 Å²	66	80.8 Å²	80.8	29%	0.289	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.2	-175	-57.3	-72.9	0	0	0	110.9	L168 L169 L183 V218	L168-F181 WeakPolarHBondContact CA-O 3.02Å; L169-F181 HydrophobicContact CB-CB 4.3Å; L169-F181 HydrophobicContact CB-CD2 4.35Å; L169-F181 HydrophobicContact CD1-CB 4.28Å; L169-F181 HydrophobicContact CD1-CD2 3.88Å; L169-F181 PolarHBondContact N-O 3.08Å; L169-F181 PolarHBondContact O-N 3.27Å; F181-L183 HydrophobicContact CB-CD2 3.79Å; F181-L183 HydrophobicContact CB-CG 4.34Å; F181-V218 WeakPolarHBondContact CE1-O 3.46Å; F181-V218 VanDerWaalsContact CZ-C 3.49Å; F181-V218 WeakPolarHBondContact CZ-O 3.36Å
182	T	86.2	Confident	79.6	Confident	84 Å²	84	80.4 Å²	80.4	52%	0.515	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	105.4	166.8	-55.4	0	0	0	0	107.1	L168 T184	L168-T182 HydrophobicContact CD2-CG2 3.76Å; L168-T182 WeakPolarHBondContact CD2-OG1 3.43Å; L168-T182 HydrophobicContact CG-CG2 4.49Å; T182-T184 HydrophobicContact CG2-CG2 4.21Å
183	L	83.1	Confident	80.2	Confident	18 Å²	18	83.3 Å²	83.3	9%	0.094	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	120	-178.9	-44.1	-177	0	0	0	108	L167 L169 F181 W214 G219	L167-L183 HydrophobicContact CB-CB 4.2Å; L167-L183 HydrophobicContact CD2-CD1 3.93Å; L167-L183 HydrophobicContact CD2-CG 4.36Å; L167-L183 PolarHBondContact N-O 3Å; L167-L183 PolarHBondContact O-N 3.41Å; L169-L183 HydrophobicContact CD1-CD1 4.27Å; F181-L183 HydrophobicContact CB-CD2 3.79Å; F181-L183 HydrophobicContact CB-CG 4.34Å; L183-W214 HydrophobicContact CB-CE3 4.4Å; L183-W214 HydrophobicContact CB-CH2 4.43Å; L183-W214 HydrophobicContact CB-CZ3 3.97Å; L183-W214 HydrophobicContact CD1-CD2 4.04Å; L183-W214 HydrophobicContact CD1-CE3 3.46Å; L183-W214 VanDerWaalsContact CD1-CE3 3.46Å; L183-W214 HydrophobicContact CD1-CZ3 3.9Å; L183-W214 HydrophobicContact CG-CE3 4.49Å; L183-W214 HydrophobicContact CG-CZ3 4.5Å; L183-G219 WeakPolarHBondContact CD2-O 3.44Å
184	T	79.1	Confident	81.1	Confident	83 Å²	83	77.4 Å²	77.4	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.9	179.4	50	0	0	0	0	108.7	S166 T182	S166-T184 WeakPolarHBondContact OG-CG2 3.37Å; T182-T184 HydrophobicContact CG2-CG2 4.21Å
185	E	69.1	Low	82.3	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	39%	0.39	S	S	.	.			trans	-75.7	128.7	166.9	-76.3	-166.5	-166.4	0	0	110.1	N187 R208	E185-N187 VanDerWaalsContact C-N 3.34Å; E185-N187 PolarHBondContact O-N 3.47Å; E185-N187 VanDerWaalsContact O-N 3.16Å; E185-R208 IonicContact OE1-NH2 2.85Å; E185-R208 PolarHBondContact OE1-NH2 2.88Å; E185-R208 IonicContact OE2-CZ 3.01Å; E185-R208 IonicContact OE2-NH1 3.45Å; E185-R208 PolarHBondContact OE2-NH1 3.39Å; E185-R208 IonicContact OE2-NH2 3.54Å; E185-R208 PolarHBondContact OE2-NH2 2.91Å
186	S	60.3	Low	83.5	Confident	108 Å²	108	69 Å²	69	76%	0.755	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	0.5	-159.4	58.4	0	0	0	0	117
187	N	61.6	Low	84.4	Confident	151 Å²	151	65.8 Å²	65.8	81%	0.807	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	-4.3	-168	-88.2	-34.6	0	0	0	117.8	E185	E185-N187 VanDerWaalsContact C-N 3.34Å; E185-N187 PolarHBondContact O-N 3.47Å; E185-N187 VanDerWaalsContact O-N 3.16Å
188	K	68.5	Low	84.9	Confident	147 Å²	147	64.6 Å²	64.6	64%	0.639	35%	0.345	S	S	*	.			trans	-145.8	128.7	-177.5	-65.1	-176.9	-177.9	175.4	0	111.9	C190	K188-C190 PolarHBondContact O-N 2.97Å
189	S	81.3	Confident	85.1	Confident	109 Å²	109	59.3 Å²	59.3	76%	0.762	34%	0.335	S	S	*	.			trans	-59.1	123.6	168.3	-176.7	0	0	0	0	109.5
190	C	89.9	Confident	85.4	Confident	6 Å²	6	59 Å²	59	4%	0.041	35%	0.345	C	S	.	.			trans	-142	157.4	174.7	61.9	0	0	0	0	109.8	T164 G165 K188 D206 S207 R208	T164-C190 CarbonylContact C-O 3.58Å; G165-C190 WeakPolarHBondContact CA-O 3.3Å; G165-C190 PolarHBondContact N-O 3.48Å; K188-C190 PolarHBondContact O-N 2.97Å; C190-D206 HydrophobicContact CB-CB 4.48Å; C190-S207 WeakPolarHBondContact CA-OG 3.25Å; C190-R208 HydrophobicContact CB-CG 4Å
191	L	94.1	Very high	85.9	Confident	51 Å²	51	58.5 Å²	58.5	27%	0.267	34%	0.341	S	S	.	.			trans	-105.7	131.8	175.4	-50.4	174.8	0	0	0	108.6	L146 S163 W193 D206 S207	L146-L191 HydrophobicContact CD1-CB 3.74Å; L146-L191 HydrophobicContact CD1-CD2 4.27Å; L146-L191 HydrophobicContact CD1-CG 4.46Å; S163-L191 WeakPolarHBondContact O-CD2 3.48Å; L191-W193 HydrophobicContact CB-CD2 4.43Å; L191-W193 HydrophobicContact CB-CZ2 4.26Å; L191-W193 HydrophobicContact CD1-CH2 4.1Å; L191-W193 HydrophobicContact CD1-CZ2 3.37Å; L191-W193 HydrophobicContact CG-CZ2 4.45Å; L191-W193 PolarHBondContact O-N 2.85Å; L191-D206 CarbonylContact O-C 3.57Å; L191-D206 WeakPolarHBondContact O-CA 3.27Å; L191-S207 PolarHBondContact N-OG 2.97Å; L191-S207 PolarHBondContact O-N 2.86Å
192	I	95.8	Very high	86.3	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.046	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	94	176.6	-54.9	-179	0	0	0	109.2	L146 S147 T162 L167 L195	L146-I192 VanDerWaalsContact CB-O 3.31Å; L146-I192 WeakPolarHBondContact CB-O 3.45Å; S147-I192 PolarHBondContact OG-O 3.33Å; T162-I192 PolarHBondContact O-N 3.29Å; L167-I192 HydrophobicContact CB-CD1 3.8Å; I192-L195 HydrophobicContact CG2-CD2 3.99Å; I192-L195 HydrophobicContact CG2-CG 4.09Å
193	W	96.3	Very high	86.8	Confident	79 Å²	79	51.4 Å²	51.4	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-30.4	-173	-70.9	120	0	0	0	114	L146 S147 L191 G205 D231 V232 L233	L146-W193 HydrophobicContact CB-CE3 4.45Å; L146-W193 HydrophobicContact CD1-CD2 4.47Å; L146-W193 HydrophobicContact CD1-CE3 4.13Å; L146-W193 HydrophobicContact CD1-CZ3 4.18Å; L146-W193 HydrophobicContact CD2-CZ3 4.05Å; S147-W193 WeakPolarHBondContact CB-O 3.5Å; L191-W193 HydrophobicContact CB-CD2 4.43Å; L191-W193 HydrophobicContact CB-CZ2 4.26Å; L191-W193 HydrophobicContact CD1-CH2 4.1Å; L191-W193 HydrophobicContact CD1-CZ2 3.37Å; L191-W193 HydrophobicContact CG-CZ2 4.45Å; L191-W193 PolarHBondContact O-N 2.85Å; W193-G205 PolarHBondContact N-O 2.87Å; W193-D231 PolarHBondContact NE1-OD2 3.44Å; W193-V232 VanDerWaalsContact CB-O 3.27Å; W193-V232 WeakPolarHBondContact CB-O 3.39Å; W193-L233 HydrophobicContact CB-CD2 4.27Å; W193-L233 HydrophobicContact CD2-CD2 4.06Å; W193-L233 HydrophobicContact CG-CD2 3.87Å
194	A	97	Very high	87.5	Confident	8 Å²	8	50.8 Å²	50.8	7%	0.066	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.8	-175.8	0	0	0	0	0	111.4	S204 G205 L235	A194-S204 WeakPolarHBondContact O-CA 2.86Å; A194-G205 PolarHBondContact N-O 3.48Å; A194-G205 PolarHBondContact O-N 3.05Å; A194-L235 HydrophobicContact CB-CB 4.28Å; A194-L235 HydrophobicContact CB-CD1 3.87Å; A194-L235 HydrophobicContact CB-CG 3.77Å
195	L	97.6	Very high	88.3	Confident	19 Å²	19	46.9 Å²	46.9	10%	0.099	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.2	172	-72.9	174.5	0	0	0	109.7	S147 A149 A159 L167 I192 L202 F203	S147-L195 WeakPolarHBondContact OG-CG 3.42Å; A149-L195 HydrophobicContact CB-CB 3.73Å; A159-L195 HydrophobicContact CB-CD1 4.06Å; L167-L195 HydrophobicContact CD1-CD2 3.52Å; L167-L195 HydrophobicContact CG-CD2 4.22Å; I192-L195 HydrophobicContact CG2-CD2 3.99Å; I192-L195 HydrophobicContact CG2-CG 4.09Å; L195-L202 HydrophobicContact CB-CD1 4.49Å; L195-L202 HydrophobicContact CD2-CD1 4.15Å; L195-L202 HydrophobicContact CD2-CG 4.49Å; L195-F203 WeakPolarHBondContact CA-O 3.32Å
196	L	96.6	Very high	89.6	Confident	36 Å²	36	44.2 Å²	44.2	19%	0.188	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	127.9	178.6	178.2	66.9	0	0	0	110.6	A198 F203 L235 A236 I244	L196-A198 HydrophobicContact CG-CB 4.41Å; L196-F203 HydrophobicContact CB-CB 4.42Å; L196-F203 PolarHBondContact N-O 3.3Å; L196-F203 PolarHBondContact O-N 3.26Å; L196-L235 HydrophobicContact CB-CB 3.9Å; L196-L235 HydrophobicContact CB-CD1 4.18Å; L196-L235 HydrophobicContact CD2-CB 3.99Å; L196-A236 VanDerWaalsContact CD2-C 3.44Å; L196-I244 HydrophobicContact CD2-CD1 4.4Å; L196-I244 HydrophobicContact CD2-CG2 4.17Å
197	F	95.2	Very high	91.2	Very high	34 Å²	34	40.6 Å²	40.6	15%	0.149	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.5	165.8	-80	-81	0	0	0	109.8	A149 C150 T151 I157 A159 L169 F201 L202 A216	A149-F197 HydrophobicContact CB-CD2 3.85Å; A149-F197 HydrophobicContact CB-CE2 4.3Å; A149-F197 WeakPolarHBondContact O-CE2 2.97Å; C150-F197 VanDerWaalsContact C-CD2 3.43Å; T151-F197 HydrophobicContact CG2-CE1 4.49Å; I157-F197 HydrophobicContact CB-CZ 4.5Å; I157-F197 HydrophobicContact CG2-CZ 4.11Å; A159-F197 HydrophobicContact CB-CE2 3.51Å; A159-F197 HydrophobicContact CB-CZ 3.8Å; L169-F197 HydrophobicContact CD2-CZ 4.4Å; F197-F201 WeakPolarHBondContact CA-O 3.42Å; F197-L202 HydrophobicContact CD1-CB 4.06Å; F197-L202 HydrophobicContact CD1-CD1 4.22Å; F197-L202 HydrophobicContact CD2-CD1 3.98Å; F197-L202 HydrophobicContact CE1-CB 3.8Å; F197-L202 HydrophobicContact CE1-CD1 4.13Å; F197-L202 HydrophobicContact CE1-CG 4.4Å; F197-L202 HydrophobicContact CE2-CD1 3.87Å; F197-L202 HydrophobicContact CG-CD1 4.16Å; F197-L202 HydrophobicContact CZ-CB 4.29Å; F197-L202 HydrophobicContact CZ-CD1 3.95Å; F197-L202 HydrophobicContact CZ-CD2 4.28Å; F197-L202 HydrophobicContact CZ-CG 4.43Å; F197-A216 HydrophobicContact CE1-CB 3.76Å; F197-A216 HydrophobicContact CZ-CB 4.41Å
198	A	93.5	Very high	92.7	Very high	10 Å²	10	36.7 Å²	36.7	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	142.6	177.7	0	0	0	0	0	111.1	L196 G200 F201 F203 S237 I244	L196-A198 HydrophobicContact CG-CB 4.41Å; A198-G200 PolarHBondContact O-N 2.86Å; A198-G200 VanDerWaalsContact O-N 3.11Å; A198-F201 PolarHBondContact N-O 2.9Å; A198-F201 PolarHBondContact O-N 3.14Å; A198-F203 HydrophobicContact CB-CD2 4.43Å; A198-F203 HydrophobicContact CB-CE2 4.26Å; A198-S237 WeakPolarHBondContact CB-OG 3.42Å; A198-I244 HydrophobicContact CB-CD1 3.35Å
199	G	88.7	Confident	93.9	Very high	43 Å²	43	29.7 Å²	29.7	44%	0.443	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	25.7	176.5	0	0	0	0	0	114.7	F201	G199-F201 VanDerWaalsContact C-N 3.29Å; G199-F201 WeakPolarHBondContact O-CD2 3.41Å; G199-F201 WeakPolarHBondContact O-CE2 3.08Å; G199-F201 PolarHBondContact O-N 3.46Å
200	G	89.6	Confident	94.5	Very high	60 Å²	60	25.1 Å²	25.1	62%	0.619	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	-2.7	-174.6	0	0	0	0	0	115.3	A198	A198-G200 PolarHBondContact O-N 2.86Å; A198-G200 VanDerWaalsContact O-N 3.11Å
201	F	93.5	Very high	94.9	Very high	46 Å²	46	24.8 Å²	24.8	20%	0.202	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	160.4	179.7	-56.1	-78.6	0	0	0	111.9	F197 A198 G199 F203 I213 L222 F258 W268	F197-F201 WeakPolarHBondContact CA-O 3.42Å; A198-F201 PolarHBondContact N-O 2.9Å; A198-F201 PolarHBondContact O-N 3.14Å; G199-F201 VanDerWaalsContact C-N 3.29Å; G199-F201 WeakPolarHBondContact O-CD2 3.41Å; G199-F201 WeakPolarHBondContact O-CE2 3.08Å; G199-F201 PolarHBondContact O-N 3.46Å; F201-F203 HydrophobicContact CB-CE2 3.83Å; F201-F203 HydrophobicContact CB-CZ 4.32Å; F201-I213 HydrophobicContact CB-CG2 3.82Å; F201-I213 HydrophobicContact CD1-CG2 4.23Å; F201-I213 HydrophobicContact CG-CG2 4.1Å; F201-L222 HydrophobicContact CD1-CD1 3.56Å; F201-L222 HydrophobicContact CE1-CD1 3.46Å; F201-L222 VanDerWaalsContact CE1-CD1 3.46Å; F201-F258 HydrophobicContact CE2-CE2 4.47Å; F201-W268 AromaticContact CD2-CE2 3.98Å; F201-W268 AromaticContact CD2-CZ2 3.94Å; F201-W268 HydrophobicContact CD2-CZ2 3.94Å; F201-W268 AromaticContact CD2-NE1 3.4Å; F201-W268 HydrophobicContact CE2-CZ2 4.33Å; F201-W268 AromaticContact CE2-NE1 3.41Å
202	L	95.2	Very high	94.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131	167.5	174.3	65.8	0	0	0	109.8	A159 L167 L169 L195 F197 I213 W214	A159-L202 HydrophobicContact CB-CD1 3.81Å; A159-L202 HydrophobicContact CB-CD2 3.61Å; A159-L202 HydrophobicContact CB-CG 4.4Å; L167-L202 HydrophobicContact CD1-CD2 3.89Å; L167-L202 HydrophobicContact CD2-CD2 3.58Å; L167-L202 HydrophobicContact CG-CD2 4.27Å; L169-L202 HydrophobicContact CD2-CD2 3.64Å; L195-L202 HydrophobicContact CB-CD1 4.49Å; L195-L202 HydrophobicContact CD2-CD1 4.15Å; L195-L202 HydrophobicContact CD2-CG 4.49Å; F197-L202 HydrophobicContact CD1-CB 4.06Å; F197-L202 HydrophobicContact CD1-CD1 4.22Å; F197-L202 HydrophobicContact CD2-CD1 3.98Å; F197-L202 HydrophobicContact CE1-CB 3.8Å; F197-L202 HydrophobicContact CE1-CD1 4.13Å; F197-L202 HydrophobicContact CE1-CG 4.4Å; F197-L202 HydrophobicContact CE2-CD1 3.87Å; F197-L202 HydrophobicContact CG-CD1 4.16Å; F197-L202 HydrophobicContact CZ-CB 4.29Å; F197-L202 HydrophobicContact CZ-CD1 3.95Å; F197-L202 HydrophobicContact CZ-CD2 4.28Å; F197-L202 HydrophobicContact CZ-CG 4.43Å; L202-I213 CarbonylContact O-C 3.48Å; L202-I213 WeakPolarHBondContact O-CA 3.38Å; L202-W214 HydrophobicContact CB-CB 4.19Å; L202-W214 PolarHBondContact N-O 3.49Å; L202-W214 PolarHBondContact O-N 2.89Å
203	F	97	Very high	94.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.1	174.6	-66.3	-99.5	0	0	0	109.8	L195 L196 A198 F201 V211 C212 I213 L235 I244 W268	L195-F203 WeakPolarHBondContact CA-O 3.32Å; L196-F203 HydrophobicContact CB-CB 4.42Å; L196-F203 PolarHBondContact N-O 3.3Å; L196-F203 PolarHBondContact O-N 3.26Å; A198-F203 HydrophobicContact CB-CD2 4.43Å; A198-F203 HydrophobicContact CB-CE2 4.26Å; F201-F203 HydrophobicContact CB-CE2 3.83Å; F201-F203 HydrophobicContact CB-CZ 4.32Å; F203-V211 HydrophobicContact CD1-CG1 4.49Å; F203-C212 WeakPolarHBondContact CA-O 3.44Å; F203-I213 HydrophobicContact CD1-CD1 4.12Å; F203-I213 HydrophobicContact CD1-CG1 3.73Å; F203-I213 HydrophobicContact CE1-CB 4.4Å; F203-I213 HydrophobicContact CE1-CD1 3.37Å; F203-I213 HydrophobicContact CE1-CG1 3.49Å; F203-I213 VanDerWaalsContact CE1-CG1 3.49Å; F203-I213 HydrophobicContact CE1-CG2 4.17Å; F203-I213 HydrophobicContact CZ-CD1 4.02Å; F203-I213 HydrophobicContact CZ-CG1 4.28Å; F203-I213 HydrophobicContact CZ-CG2 4.14Å; F203-L235 HydrophobicContact CB-CD1 3.98Å; F203-I244 HydrophobicContact CD1-CB 4.46Å; F203-I244 HydrophobicContact CD1-CG1 4.2Å; F203-I244 HydrophobicContact CD1-CG2 4.09Å; F203-I244 HydrophobicContact CD2-CD1 4.42Å; F203-I244 HydrophobicContact CD2-CG1 4.28Å; F203-I244 HydrophobicContact CE1-CB 4.25Å; F203-I244 HydrophobicContact CE1-CG1 3.71Å; F203-I244 HydrophobicContact CE1-CG2 4.38Å; F203-I244 HydrophobicContact CE2-CD1 4.07Å; F203-I244 HydrophobicContact CE2-CG1 3.83Å; F203-I244 HydrophobicContact CG-CG1 4.47Å; F203-I244 HydrophobicContact CG-CG2 4.3Å; F203-I244 HydrophobicContact CZ-CD1 4.28Å; F203-I244 HydrophobicContact CZ-CG1 3.55Å; F203-W268 HydrophobicContact CE1-CD2 4.41Å; F203-W268 HydrophobicContact CE1-CE3 4.35Å; F203-W268 HydrophobicContact CE1-CH2 4.46Å; F203-W268 HydrophobicContact CE1-CZ3 4.38Å; F203-W268 HydrophobicContact CE2-CH2 4.48Å; F203-W268 HydrophobicContact CE2-CZ2 4.28Å; F203-W268 HydrophobicContact CZ-CD2 4.13Å; F203-W268 AromaticContact CZ-CE2 3.75Å; F203-W268 HydrophobicContact CZ-CE3 4.24Å; F203-W268 AromaticContact CZ-CH2 3.69Å; F203-W268 HydrophobicContact CZ-CH2 3.69Å; F203-W268 AromaticContact CZ-CZ2 3.55Å; F203-W268 HydrophobicContact CZ-CZ2 3.55Å; F203-W268 HydrophobicContact CZ-CZ3 4.04Å
204	S	97	Very high	94.9	Very high	6 Å²	6	19.2 Å²	19.2	4%	0.042	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.2	173.5	68.7	0	0	0	0	111.6	A194 V211 C212 W214	A194-S204 WeakPolarHBondContact O-CA 2.86Å; S204-V211 CarbonylContact O-C 3.45Å; S204-V211 VanDerWaalsContact O-CA 3.32Å; S204-V211 WeakPolarHBondContact O-CA 3.43Å; S204-C212 PolarHBondContact N-O 3.47Å; S204-C212 PolarHBondContact O-N 3.19Å; S204-C212 WeakPolarHBondContact OG-CB 3.27Å; S204-W214 PolarHBondContact OG-NE1 3.11Å
205	G	96.6	Very high	94.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.3	171.4	0	0	0	0	0	111.1	W193 A194	W193-G205 PolarHBondContact N-O 2.87Å; A194-G205 PolarHBondContact N-O 3.48Å; A194-G205 PolarHBondContact O-N 3.05Å
206	D	95.4	Very high	94.2	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.037	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	171.2	-175	78.6	11.6	0	0	0	115	C190 L191 R208 G209 V210 V232	C190-D206 HydrophobicContact CB-CB 4.48Å; L191-D206 CarbonylContact O-C 3.57Å; L191-D206 WeakPolarHBondContact O-CA 3.27Å; D206-R208 PolarHBondContact O-N 3.41Å; D206-R208 WeakPolarHBondContact OD1-CA 3.48Å; D206-R208 WeakPolarHBondContact OD1-CB 3.2Å; D206-R208 PolarHBondContact OD1-N 3.42Å; D206-R208 IonicContact OD2-CZ 3.03Å; D206-R208 IonicContact OD2-NE 3.54Å; D206-R208 PolarHBondContact OD2-NE 2.74Å; D206-R208 IonicContact OD2-NH2 2.76Å; D206-R208 PolarHBondContact OD2-NH2 3.19Å; D206-G209 PolarHBondContact O-N 3.04Å; D206-G209 PolarHBondContact OD1-N 3.49Å; D206-V210 PolarHBondContact N-O 3.41Å; D206-V210 VanDerWaalsContact N-O 3.13Å; D206-V210 PolarHBondContact OD1-N 3.15Å; D206-V232 PolarHBondContact O-N 3.03Å
207	S	94.5	Very high	93.8	Very high	31 Å²	31	22.8 Å²	22.8	22%	0.217	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	0.9	176.8	68.7	0	0	0	0	115	C190 L191 D231	C190-S207 WeakPolarHBondContact CA-OG 3.25Å; L191-S207 PolarHBondContact N-OG 2.97Å; L191-S207 PolarHBondContact O-N 2.86Å; S207-D231 WeakPolarHBondContact CA-OD2 3.47Å; S207-D231 VanDerWaalsContact CB-OD2 3.27Å; S207-D231 WeakPolarHBondContact CB-OD2 3.27Å
208	R	92.9	Very high	93.5	Very high	69 Å²	69	26 Å²	26	26%	0.26	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.5	176.9	-57.1	174.8	-61	169.2	14.2	111.6	E185 C190 D206 V210	E185-R208 IonicContact OE1-NH2 2.85Å; E185-R208 PolarHBondContact OE1-NH2 2.88Å; E185-R208 IonicContact OE2-CZ 3.01Å; E185-R208 IonicContact OE2-NH1 3.45Å; E185-R208 PolarHBondContact OE2-NH1 3.39Å; E185-R208 IonicContact OE2-NH2 3.54Å; E185-R208 PolarHBondContact OE2-NH2 2.91Å; C190-R208 HydrophobicContact CB-CG 4Å; D206-R208 PolarHBondContact O-N 3.41Å; D206-R208 WeakPolarHBondContact OD1-CA 3.48Å; D206-R208 WeakPolarHBondContact OD1-CB 3.2Å; D206-R208 PolarHBondContact OD1-N 3.42Å; D206-R208 IonicContact OD2-CZ 3.03Å; D206-R208 IonicContact OD2-NE 3.54Å; D206-R208 PolarHBondContact OD2-NE 2.74Å; D206-R208 IonicContact OD2-NH2 2.76Å; D206-R208 PolarHBondContact OD2-NH2 3.19Å; R208-V210 HydrophobicContact CB-CG2 4.14Å
209	G	93.7	Very high	93.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	82.1	18.2	-176.5	0	0	0	0	0	113.9	D206 C227 H228 A230	D206-G209 PolarHBondContact O-N 3.04Å; D206-G209 PolarHBondContact OD1-N 3.49Å; G209-C227 PolarHBondContact O-N 3.07Å; G209-H228 PolarHBondContact O-N 2.9Å; G209-A230 WeakPolarHBondContact CA-O 3.4Å
210	V	95.2	Very high	93.2	Very high	13 Å²	13	25.3 Å²	25.3	8%	0.079	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.1	-177.9	-173.9	0	0	0	0	110	D206 R208 C212 S224 F225	D206-V210 PolarHBondContact N-O 3.41Å; D206-V210 VanDerWaalsContact N-O 3.13Å; D206-V210 PolarHBondContact OD1-N 3.15Å; R208-V210 HydrophobicContact CB-CG2 4.14Å; V210-C212 VanDerWaalsContact CG1-SG 3.58Å; V210-S224 WeakPolarHBondContact CG1-OG 3.29Å; V210-F225 WeakPolarHBondContact CA-O 3.34Å
211	V	97	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.7	166.8	179.5	0	0	0	0	108.3	F203 S204 F225 V232 F256	F203-V211 HydrophobicContact CD1-CG1 4.49Å; S204-V211 CarbonylContact O-C 3.45Å; S204-V211 VanDerWaalsContact O-CA 3.32Å; S204-V211 WeakPolarHBondContact O-CA 3.43Å; V211-F225 PolarHBondContact N-O 3.36Å; V211-F225 PolarHBondContact O-N 3.46Å; V211-V232 HydrophobicContact CG2-CG1 4.1Å; V211-V232 HydrophobicContact CG2-CG2 4.09Å; V211-F256 HydrophobicContact CB-CE1 4.42Å; V211-F256 HydrophobicContact CB-CE2 4.42Å; V211-F256 HydrophobicContact CB-CZ 3.88Å; V211-F256 HydrophobicContact CG1-CE2 4.22Å; V211-F256 HydrophobicContact CG1-CZ 4.06Å; V211-F256 HydrophobicContact CG2-CE2 4.17Å; V211-F256 HydrophobicContact CG2-CZ 3.83Å
212	C	95.6	Very high	93.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.9	176.6	-64.1	0	0	0	0	110.6	F203 S204 V210 W214 Q221 Y223	F203-C212 WeakPolarHBondContact CA-O 3.44Å; S204-C212 PolarHBondContact N-O 3.47Å; S204-C212 PolarHBondContact O-N 3.19Å; S204-C212 WeakPolarHBondContact OG-CB 3.27Å; V210-C212 VanDerWaalsContact CG1-SG 3.58Å; C212-W214 HydrophobicContact CB-CZ2 3.72Å; C212-Q221 PolarHBondContact SG-NE2 2.97Å; C212-Y223 WeakPolarHBondContact CA-O 3.33Å
213	I	95.9	Very high	93.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.2	174.9	-50.6	-175.8	0	0	0	107.8	F201 L202 F203 L222 Y223 F225 W268	F201-I213 HydrophobicContact CB-CG2 3.82Å; F201-I213 HydrophobicContact CD1-CG2 4.23Å; F201-I213 HydrophobicContact CG-CG2 4.1Å; L202-I213 CarbonylContact O-C 3.48Å; L202-I213 WeakPolarHBondContact O-CA 3.38Å; F203-I213 HydrophobicContact CD1-CD1 4.12Å; F203-I213 HydrophobicContact CD1-CG1 3.73Å; F203-I213 HydrophobicContact CE1-CB 4.4Å; F203-I213 HydrophobicContact CE1-CD1 3.37Å; F203-I213 HydrophobicContact CE1-CG1 3.49Å; F203-I213 VanDerWaalsContact CE1-CG1 3.49Å; F203-I213 HydrophobicContact CE1-CG2 4.17Å; F203-I213 HydrophobicContact CZ-CD1 4.02Å; F203-I213 HydrophobicContact CZ-CG1 4.28Å; F203-I213 HydrophobicContact CZ-CG2 4.14Å; I213-L222 PolarHBondContact O-N 3.16Å; I213-Y223 HydrophobicContact CB-CD2 4.14Å; I213-Y223 HydrophobicContact CD1-CD2 4.04Å; I213-Y223 HydrophobicContact CD1-CG 4.39Å; I213-Y223 HydrophobicContact CG2-CD2 4.47Å; I213-Y223 PolarHBondContact N-O 3.46Å; I213-Y223 PolarHBondContact O-N 3.27Å; I213-F225 HydrophobicContact CD1-CD2 4.46Å; I213-F225 HydrophobicContact CD1-CE2 3.75Å; I213-F225 HydrophobicContact CG1-CE2 4.3Å; I213-W268 HydrophobicContact CD1-CB 3.5Å; I213-W268 HydrophobicContact CD1-CD2 3.8Å; I213-W268 HydrophobicContact CD1-CE3 4.38Å; I213-W268 HydrophobicContact CD1-CG 3.37Å
214	W	94.6	Very high	93.1	Very high	19 Å²	19	34.3 Å²	34.3	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.2	-173.8	-47.7	84.7	0	0	0	110.5	L183 L202 S204 C212 G220 Q221	L183-W214 HydrophobicContact CB-CE3 4.4Å; L183-W214 HydrophobicContact CB-CH2 4.43Å; L183-W214 HydrophobicContact CB-CZ3 3.97Å; L183-W214 HydrophobicContact CD1-CD2 4.04Å; L183-W214 HydrophobicContact CD1-CE3 3.46Å; L183-W214 VanDerWaalsContact CD1-CE3 3.46Å; L183-W214 HydrophobicContact CD1-CZ3 3.9Å; L183-W214 HydrophobicContact CG-CE3 4.49Å; L183-W214 HydrophobicContact CG-CZ3 4.5Å; L202-W214 HydrophobicContact CB-CB 4.19Å; L202-W214 PolarHBondContact N-O 3.49Å; L202-W214 PolarHBondContact O-N 2.89Å; S204-W214 PolarHBondContact OG-NE1 3.11Å; C212-W214 HydrophobicContact CB-CZ2 3.72Å; W214-G220 CarbonylContact C-O 3.41Å; W214-G220 VanDerWaalsContact CA-O 3.31Å; W214-G220 WeakPolarHBondContact CA-O 3.37Å; W214-Q221 HydrophobicContact CD2-CB 4.38Å; W214-Q221 HydrophobicContact CD2-CG 4.3Å; W214-Q221 HydrophobicContact CE3-CB 3.59Å; W214-Q221 HydrophobicContact CE3-CG 3.96Å; W214-Q221 HydrophobicContact CH2-CB 4.1Å; W214-Q221 HydrophobicContact CH2-CG 4Å; W214-Q221 HydrophobicContact CZ2-CG 4.33Å; W214-Q221 HydrophobicContact CZ3-CB 3.46Å; W214-Q221 VanDerWaalsContact CZ3-CB 3.46Å; W214-Q221 HydrophobicContact CZ3-CG 3.83Å
215	D	91.7	Very high	93.1	Very high	45 Å²	45	36 Å²	36	24%	0.241	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.7	162.9	-174.4	-19.5	0	0	0	108.4	S217 G219 G220 L222	D215-S217 VanDerWaalsContact C-N 3.27Å; D215-S217 PolarHBondContact O-N 3.34Å; D215-S217 WeakPolarHBondContact OD1-CB 3.27Å; D215-S217 PolarHBondContact OD1-N 3.13Å; D215-S217 PolarHBondContact OD1-OG 3.4Å; D215-S217 PolarHBondContact OD2-OG 3Å; D215-G219 VanDerWaalsContact O-CA 3.28Å; D215-G219 WeakPolarHBondContact O-CA 3.43Å; D215-G219 PolarHBondContact O-N 2.91Å; D215-G220 PolarHBondContact N-O 3.43Å; D215-G220 PolarHBondContact O-N 2.96Å; D215-L222 HydrophobicContact CB-CD1 4.1Å; D215-L222 HydrophobicContact CB-CD2 4.24Å; D215-L222 HydrophobicContact CB-CG 4.16Å
216	A	89.7	Confident	92.9	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.9	-178.2	0	0	0	0	0	113.6	L169 F197	L169-A216 HydrophobicContact CD1-CB 4.17Å; F197-A216 HydrophobicContact CE1-CB 3.76Å; F197-A216 HydrophobicContact CZ-CB 4.41Å
217	S	87.5	Confident	92.7	Very high	86 Å²	86	41 Å²	41	60%	0.601	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-38.9	180	71.3	0	0	0	0	112	D215	D215-S217 VanDerWaalsContact C-N 3.27Å; D215-S217 PolarHBondContact O-N 3.34Å; D215-S217 WeakPolarHBondContact OD1-CB 3.27Å; D215-S217 PolarHBondContact OD1-N 3.13Å; D215-S217 PolarHBondContact OD1-OG 3.4Å; D215-S217 PolarHBondContact OD2-OG 3Å
218	V	88.9	Confident	92.7	Very high	101 Å²	101	39.9 Å²	39.9	61%	0.612	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-14	-180	-172.5	0	0	0	0	112.3	F181 G220	F181-V218 WeakPolarHBondContact CE1-O 3.46Å; F181-V218 VanDerWaalsContact CZ-C 3.49Å; F181-V218 WeakPolarHBondContact CZ-O 3.36Å; V218-G220 VanDerWaalsContact C-N 3.32Å
219	G	87.2	Confident	92.7	Very high	13 Å²	13	44.4 Å²	44.4	13%	0.134	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	29.2	-174.3	0	0	0	0	0	112.6	L183 D215	L183-G219 WeakPolarHBondContact CD2-O 3.44Å; D215-G219 VanDerWaalsContact O-CA 3.28Å; D215-G219 WeakPolarHBondContact O-CA 3.43Å; D215-G219 PolarHBondContact O-N 2.91Å
220	G	89.3	Confident	92.6	Very high	26 Å²	26	45.8 Å²	45.8	27%	0.268	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	142.8	-177.2	0	0	0	0	0	112.6	W214 D215 V218	W214-G220 CarbonylContact C-O 3.41Å; W214-G220 VanDerWaalsContact CA-O 3.31Å; W214-G220 WeakPolarHBondContact CA-O 3.37Å; D215-G220 PolarHBondContact N-O 3.43Å; D215-G220 PolarHBondContact O-N 2.96Å; V218-G220 VanDerWaalsContact C-N 3.32Å
221	Q	92.3	Very high	92.7	Very high	79 Å²	79	47.4 Å²	47.4	37%	0.369	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.8	168	-165.8	175.3	-17.6	0	0	109.8	C212 W214	C212-Q221 PolarHBondContact SG-NE2 2.97Å; W214-Q221 HydrophobicContact CD2-CB 4.38Å; W214-Q221 HydrophobicContact CD2-CG 4.3Å; W214-Q221 HydrophobicContact CE3-CB 3.59Å; W214-Q221 HydrophobicContact CE3-CG 3.96Å; W214-Q221 HydrophobicContact CH2-CB 4.1Å; W214-Q221 HydrophobicContact CH2-CG 4Å; W214-Q221 HydrophobicContact CZ2-CG 4.33Å; W214-Q221 HydrophobicContact CZ3-CB 3.46Å; W214-Q221 VanDerWaalsContact CZ3-CB 3.46Å; W214-Q221 HydrophobicContact CZ3-CG 3.83Å
222	L	92.4	Very high	92.7	Very high	77 Å²	77	47.4 Å²	47.4	40%	0.403	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-45.1	179.2	-60.6	178.1	0	0	0	111.7	F201 I213 D215	F201-L222 HydrophobicContact CD1-CD1 3.56Å; F201-L222 HydrophobicContact CE1-CD1 3.46Å; F201-L222 VanDerWaalsContact CE1-CD1 3.46Å; I213-L222 PolarHBondContact O-N 3.16Å; D215-L222 HydrophobicContact CB-CD1 4.1Å; D215-L222 HydrophobicContact CB-CD2 4.24Å; D215-L222 HydrophobicContact CB-CG 4.16Å
223	Y	94.1	Very high	92.7	Very high	72 Å²	72	48.6 Å²	48.6	28%	0.282	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.2	-175.9	-59.9	-84.2	0	0	0	111.9	C212 I213 F225 W268	C212-Y223 WeakPolarHBondContact CA-O 3.33Å; I213-Y223 HydrophobicContact CB-CD2 4.14Å; I213-Y223 HydrophobicContact CD1-CD2 4.04Å; I213-Y223 HydrophobicContact CD1-CG 4.39Å; I213-Y223 HydrophobicContact CG2-CD2 4.47Å; I213-Y223 PolarHBondContact N-O 3.46Å; I213-Y223 PolarHBondContact O-N 3.27Å; Y223-F225 HydrophobicContact CD1-CZ 4.13Å; Y223-F225 HydrophobicContact CG-CE2 4.19Å; Y223-F225 HydrophobicContact CG-CZ 4.18Å; Y223-W268 HydrophobicContact CD2-CB 4.08Å; Y223-W268 HydrophobicContact CD2-CG 4.46Å; Y223-W268 HydrophobicContact CE2-CB 4.08Å; Y223-W268 AromaticContact CE2-CD1 3.86Å; Y223-W268 HydrophobicContact CE2-CG 4.38Å; Y223-W268 HydrophobicContact CG-CB 4.47Å
224	S	94	Very high	92.8	Very high	68 Å²	68	48.9 Å²	48.9	48%	0.476	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	115	173	-170.1	0	0	0	0	109.5	V210	V210-S224 WeakPolarHBondContact CG1-OG 3.29Å
225	F	95.9	Very high	92.9	Very high	40 Å²	40	49 Å²	49	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	98.9	-179.4	-62.2	-71.8	0	0	0	110.3	V210 V211 I213 Y223 C227 F256 W268	V210-F225 WeakPolarHBondContact CA-O 3.34Å; V211-F225 PolarHBondContact N-O 3.36Å; V211-F225 PolarHBondContact O-N 3.46Å; I213-F225 HydrophobicContact CD1-CD2 4.46Å; I213-F225 HydrophobicContact CD1-CE2 3.75Å; I213-F225 HydrophobicContact CG1-CE2 4.3Å; Y223-F225 HydrophobicContact CD1-CZ 4.13Å; Y223-F225 HydrophobicContact CG-CE2 4.19Å; Y223-F225 HydrophobicContact CG-CZ 4.18Å; F225-C227 VanDerWaalsContact C-N 3.31Å; F225-C227 HydrophobicContact CB-CB 4.36Å; F225-C227 PolarHBondContact O-N 3.47Å; F225-C227 PolarHBondContact O-SG 2.97Å; F225-F256 HydrophobicContact CB-CE1 3.85Å; F225-F256 AromaticContact CD2-CD1 3.98Å; F225-F256 HydrophobicContact CD2-CD1 3.98Å; F225-F256 AromaticContact CD2-CE1 3.8Å; F225-F256 HydrophobicContact CD2-CE1 3.8Å; F225-F256 HydrophobicContact CE2-CD1 4.28Å; F225-F256 HydrophobicContact CG-CD1 4.33Å; F225-F256 AromaticContact CG-CE1 3.85Å; F225-F256 HydrophobicContact CG-CE1 3.85Å; F225-W268 HydrophobicContact CE2-CB 4.34Å; F225-W268 HydrophobicContact CZ-CB 4.31Å; F225-W268 WeakPolarHBondContact CZ-O 3.29Å
226	S	94.1	Very high	93.2	Very high	101 Å²	101	47.2 Å²	47.2	71%	0.706	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	84.6	170	-176.9	0	0	0	0	109.6
227	C	90.9	Very high	93.5	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.074	28%	0.283	C	S	.	.			trans	-121.2	-34.6	-164	64.4	0	0	0	0	112.2	G209 F225 R254	G209-C227 PolarHBondContact O-N 3.07Å; F225-C227 VanDerWaalsContact C-N 3.31Å; F225-C227 HydrophobicContact CB-CB 4.36Å; F225-C227 PolarHBondContact O-N 3.47Å; F225-C227 PolarHBondContact O-SG 2.97Å; C227-R254 PolarHBondContact O-NE 2.89Å; C227-R254 PolarHBondContact O-NH2 2.94Å; C227-R254 WeakPolarHBondContact SG-CD 3.45Å
228	H	93.6	Very high	93.7	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.037	26%	0.259	C	S	.	.			trans	-87.4	153.6	172.7	-69.3	-90.5	0	0	0	111.3	G209 A230 V232 S246 D250 I252	G209-H228 PolarHBondContact O-N 2.9Å; H228-A230 VanDerWaalsContact C-N 3.31Å; H228-A230 VanDerWaalsContact CB-O 3.27Å; H228-A230 WeakPolarHBondContact CB-O 3.28Å; H228-V232 HydrophobicContact CB-CG2 4.1Å; H228-S246 PolarHBondContact NE2-OG 3.19Å; H228-D250 WeakPolarHBondContact CA-OD2 3.5Å; H228-D250 WeakPolarHBondContact CB-OD2 3.32Å; H228-D250 IonicContact CE1-OD1 3.22Å; H228-D250 IonicContact CG-OD1 2.74Å; H228-D250 IonicContact CG-OD2 3.1Å; H228-D250 IonicContact ND1-OD1 3.11Å; H228-D250 PolarHBondContact ND1-OD1 2.86Å; H228-D250 IonicContact ND1-OD2 3.59Å; H228-D250 PolarHBondContact ND1-OD2 2.88Å; H228-I252 PolarHBondContact CE1-O 2.85Å; H228-I252 VanDerWaalsContact CE1-O 3.24Å
229	H	92.6	Very high	93.7	Very high	164 Å²	164	46.5 Å²	46.5	76%	0.759	26%	0.263	S	S	*	.	S	Bend	trans	-88.7	-3.6	174.6	-60	89.8	0	0	0	112.7	D250	H229-D250 HydrophobicContact CB-CB 4.33Å; H229-D250 PolarHBondContact N-OD2 3.03Å; H229-D250 IonicContact ND1-OD2 2.58Å
230	A	93	Very high	93.8	Very high	29 Å²	29	51.3 Å²	51.3	24%	0.24	29%	0.286	C	S	.	.	S	Bend	trans	-152.5	-178	-179.2	0	0	0	0	0	109.5	G209 H228 V232 A249 D250	G209-A230 WeakPolarHBondContact CA-O 3.4Å; H228-A230 VanDerWaalsContact C-N 3.31Å; H228-A230 VanDerWaalsContact CB-O 3.27Å; H228-A230 WeakPolarHBondContact CB-O 3.28Å; A230-V232 PolarHBondContact O-N 2.89Å; A230-A249 HydrophobicContact CB-CB 3.88Å; A230-D250 HydrophobicContact CB-CB 4.2Å
231	D	95.7	Very high	93.9	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	28%	0.275	S	S	.	.			trans	-45.8	131.5	-177.6	-57.9	50.3	0	0	0	113.5	W193 S207 L233 G248 A249	W193-D231 PolarHBondContact NE1-OD2 3.44Å; S207-D231 WeakPolarHBondContact CA-OD2 3.47Å; S207-D231 VanDerWaalsContact CB-OD2 3.27Å; S207-D231 WeakPolarHBondContact CB-OD2 3.27Å; D231-L233 HydrophobicContact CB-CD2 3.87Å; D231-L233 HydrophobicContact CB-CG 4.2Å; D231-L233 PolarHBondContact O-N 2.94Å; D231-G248 CarbonylContact O-C 3.59Å; D231-G248 WeakPolarHBondContact O-CA 3.25Å; D231-A249 HydrophobicContact CB-CB 4.2Å; D231-A249 PolarHBondContact O-N 3.36Å
232	V	97.4	Very high	93.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	105	170.2	-174	0	0	0	0	108.5	W193 D206 V211 H228 A230 L235	W193-V232 VanDerWaalsContact CB-O 3.27Å; W193-V232 WeakPolarHBondContact CB-O 3.39Å; D206-V232 PolarHBondContact O-N 3.03Å; V211-V232 HydrophobicContact CG2-CG1 4.1Å; V211-V232 HydrophobicContact CG2-CG2 4.09Å; H228-V232 HydrophobicContact CB-CG2 4.1Å; A230-V232 PolarHBondContact O-N 2.89Å; V232-L235 HydrophobicContact CG1-CD2 4.49Å
233	L	96.7	Very high	93.8	Very high	28 Å²	28	46 Å²	46	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-21.9	-168.6	-64.2	175.5	0	0	0	113.6	W193 D231 G247 A249 D280 I281	W193-L233 HydrophobicContact CB-CD2 4.27Å; W193-L233 HydrophobicContact CD2-CD2 4.06Å; W193-L233 HydrophobicContact CG-CD2 3.87Å; D231-L233 HydrophobicContact CB-CD2 3.87Å; D231-L233 HydrophobicContact CB-CG 4.2Å; D231-L233 PolarHBondContact O-N 2.94Å; L233-G247 PolarHBondContact N-O 3.38Å; L233-A249 HydrophobicContact CD1-CB 4.01Å; L233-D280 HydrophobicContact CD1-CB 4.31Å; L233-I281 VanDerWaalsContact CB-O 3.23Å; L233-I281 WeakPolarHBondContact CB-O 3.45Å
234	A	97	Very high	93.9	Very high	6 Å²	6	42.5 Å²	42.5	5%	0.05	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.7	-176.7	0	0	0	0	0	112.1	S246 G247 L284	A234-S246 CarbonylContact O-C 3.56Å; A234-S246 WeakPolarHBondContact O-CA 3.36Å; A234-G247 PolarHBondContact N-O 3.44Å; A234-G247 VanDerWaalsContact N-O 3.13Å; A234-G247 PolarHBondContact O-N 2.69Å; A234-L284 HydrophobicContact CB-CB 4.26Å; A234-L284 HydrophobicContact CB-CD1 4.17Å; A234-L284 HydrophobicContact CB-CG 3.89Å
235	L	98	Very high	94	Very high	22 Å²	22	39.3 Å²	39.3	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	142.4	171.2	-69.1	170.9	0	0	0	109.4	A194 L196 F203 V232 I244 F245	A194-L235 HydrophobicContact CB-CB 4.28Å; A194-L235 HydrophobicContact CB-CD1 3.87Å; A194-L235 HydrophobicContact CB-CG 3.77Å; L196-L235 HydrophobicContact CB-CB 3.9Å; L196-L235 HydrophobicContact CB-CD1 4.18Å; L196-L235 HydrophobicContact CD2-CB 3.99Å; F203-L235 HydrophobicContact CB-CD1 3.98Å; V232-L235 HydrophobicContact CG1-CD2 4.49Å; L235-I244 HydrophobicContact CD2-CG2 4.48Å; L235-F245 CarbonylContact C-O 3.5Å; L235-F245 VanDerWaalsContact CA-O 3.3Å; L235-F245 WeakPolarHBondContact CA-O 3.41Å
236	A	97	Very high	94.1	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.1	171.9	0	0	0	0	0	110.9	L196 I244 F245 L284 L310	L196-A236 VanDerWaalsContact CD2-C 3.44Å; A236-I244 CarbonylContact O-C 2.87Å; A236-I244 WeakPolarHBondContact O-CA 3.37Å; A236-F245 PolarHBondContact N-O 2.75Å; A236-F245 PolarHBondContact O-N 3.32Å; A236-L284 HydrophobicContact CB-CB 3.6Å; A236-L310 HydrophobicContact CB-CD1 4.47Å
237	S	95.7	Very high	94.2	Very high	26 Å²	26	32.6 Å²	32.6	18%	0.182	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	153.3	177.9	178.9	0	0	0	0	110.4	A198 G241 I244 F286	A198-S237 WeakPolarHBondContact CB-OG 3.42Å; S237-G241 WeakPolarHBondContact OG-CA 2.96Å; S237-I244 WeakPolarHBondContact OG-CD1 3.49Å; S237-F286 WeakPolarHBondContact O-CB 3.3Å
238	N	92.3	Very high	94.4	Very high	18 Å²	18	32.1 Å²	32.1	10%	0.096	18%	0.176	C	C	.	.			trans	-70	177	157.9	69.4	-13.3	0	0	0	111.6	D240 G241 S242 I243 F286	N238-D240 PolarHBondContact ND2-OD1 2.83Å; N238-D240 PolarHBondContact OD1-OD1 2.99Å; N238-G241 PolarHBondContact O-N 3.16Å; N238-G241 WeakPolarHBondContact OD1-CA 3.43Å; N238-G241 PolarHBondContact OD1-N 2.87Å; N238-G241 VanDerWaalsContact OD1-N 3.1Å; N238-S242 PolarHBondContact ND2-OG 2.95Å; N238-S242 PolarHBondContact OD1-N 3.23Å; N238-S242 VanDerWaalsContact OD1-N 3.07Å; N238-I243 HydrophobicContact CB-CB 4.31Å; N238-I243 PolarHBondContact N-O 2.98Å; N238-I243 WeakPolarHBondContact ND2-CB 3.3Å; N238-I243 WeakPolarHBondContact ND2-CG1 3.43Å; N238-I243 PolarHBondContact ND2-N 2.9Å; N238-I243 PolarHBondContact OD1-N 3.16Å; N238-I243 PolarHBondContact OD1-O 3.34Å; N238-I243 VanDerWaalsContact OD1-O 3.09Å; N238-F286 HydrophobicContact CB-CD1 4.22Å; N238-F286 HydrophobicContact CB-CD2 4.16Å; N238-F286 HydrophobicContact CB-CE1 3.9Å; N238-F286 HydrophobicContact CB-CE2 3.83Å; N238-F286 HydrophobicContact CB-CG 4.33Å; N238-F286 HydrophobicContact CB-CZ 3.67Å
239	L	89.1	Confident	94.4	Very high	135 Å²	135	32.8 Å²	32.8	71%	0.707	18%	0.184	S	C	*	.	S	Bend	trans	-65.9	-38.3	-171	-74.2	177	0	0	0	114.6	F286 P288	L239-F286 HydrophobicContact CG-CE1 4.28Å; L239-P288 HydrophobicContact CD1-CB 3.5Å; L239-P288 VanDerWaalsContact CD1-CB 3.5Å; L239-P288 HydrophobicContact CD1-CG 3.88Å; L239-P288 HydrophobicContact CG-CB 4.12Å; L239-P288 HydrophobicContact CG-CG 4.39Å
240	D	88.2	Confident	94.3	Very high	113 Å²	113	26.6 Å²	26.6	60%	0.604	16%	0.156	S	C	*	.	S	Bend	trans	-88.4	-12	-178.1	62.9	-16	0	0	0	112.7	N238 S242	N238-D240 PolarHBondContact ND2-OD1 2.83Å; N238-D240 PolarHBondContact OD1-OD1 2.99Å; D240-S242 VanDerWaalsContact C-N 3.34Å; D240-S242 PolarHBondContact OD1-N 3Å; D240-S242 PolarHBondContact OD1-OG 3.12Å; D240-S242 WeakPolarHBondContact OD2-CB 3.49Å; D240-S242 PolarHBondContact OD2-OG 2.69Å
241	G	91.1	Very high	94.2	Very high	5 Å²	5	26.1 Å²	26.1	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	81.3	11.3	-178.5	0	0	0	0	0	114.6	S237 N238 W268	S237-G241 WeakPolarHBondContact OG-CA 2.96Å; N238-G241 PolarHBondContact O-N 3.16Å; N238-G241 WeakPolarHBondContact OD1-CA 3.43Å; N238-G241 PolarHBondContact OD1-N 2.87Å; N238-G241 VanDerWaalsContact OD1-N 3.1Å; G241-W268 WeakPolarHBondContact O-CH2 3.44Å
242	S	90.3	Very high	94	Very high	36 Å²	36	25.2 Å²	25.2	25%	0.252	15%	0.147	S	C	.	.	S	Bend	trans	-81.5	-22.1	179.3	61.5	0	0	0	0	113.5	N238 D240 F258	N238-S242 PolarHBondContact ND2-OG 2.95Å; N238-S242 PolarHBondContact OD1-N 3.23Å; N238-S242 VanDerWaalsContact OD1-N 3.07Å; D240-S242 VanDerWaalsContact C-N 3.34Å; D240-S242 PolarHBondContact OD1-N 3Å; D240-S242 PolarHBondContact OD1-OG 3.12Å; D240-S242 WeakPolarHBondContact OD2-CB 3.49Å; D240-S242 PolarHBondContact OD2-OG 2.69Å; S242-F258 PolarHBondContact O-N 2.85Å; S242-F258 VanDerWaalsContact O-N 3.13Å
243	I	93.2	Very high	93.8	Very high	29 Å²	29	25.3 Å²	25.3	15%	0.149	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.8	-178.6	-55.3	170.8	0	0	0	110	N238 F245 R255 F256 E257	N238-I243 HydrophobicContact CB-CB 4.31Å; N238-I243 PolarHBondContact N-O 2.98Å; N238-I243 WeakPolarHBondContact ND2-CB 3.3Å; N238-I243 WeakPolarHBondContact ND2-CG1 3.43Å; N238-I243 PolarHBondContact ND2-N 2.9Å; N238-I243 PolarHBondContact OD1-N 3.16Å; N238-I243 PolarHBondContact OD1-O 3.34Å; N238-I243 VanDerWaalsContact OD1-O 3.09Å; I243-F245 HydrophobicContact CG2-CE1 3.97Å; I243-F245 HydrophobicContact CG2-CE2 3.81Å; I243-F245 HydrophobicContact CG2-CZ 3.48Å; I243-F245 VanDerWaalsContact CG2-CZ 3.48Å; I243-R255 HydrophobicContact CG2-CG 3.63Å; I243-F256 VanDerWaalsContact CA-O 3.32Å; I243-F256 WeakPolarHBondContact CA-O 3.46Å; I243-E257 HydrophobicContact CG1-CG 4.45Å
244	I	96.5	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.2	177.8	-49.4	-58.9	0	0	0	109.8	L196 A198 F203 L235 A236 S237 R255 F256 W268	L196-I244 HydrophobicContact CD2-CD1 4.4Å; L196-I244 HydrophobicContact CD2-CG2 4.17Å; A198-I244 HydrophobicContact CB-CD1 3.35Å; F203-I244 HydrophobicContact CD1-CB 4.46Å; F203-I244 HydrophobicContact CD1-CG1 4.2Å; F203-I244 HydrophobicContact CD1-CG2 4.09Å; F203-I244 HydrophobicContact CD2-CD1 4.42Å; F203-I244 HydrophobicContact CD2-CG1 4.28Å; F203-I244 HydrophobicContact CE1-CB 4.25Å; F203-I244 HydrophobicContact CE1-CG1 3.71Å; F203-I244 HydrophobicContact CE1-CG2 4.38Å; F203-I244 HydrophobicContact CE2-CD1 4.07Å; F203-I244 HydrophobicContact CE2-CG1 3.83Å; F203-I244 HydrophobicContact CG-CG1 4.47Å; F203-I244 HydrophobicContact CG-CG2 4.3Å; F203-I244 HydrophobicContact CZ-CD1 4.28Å; F203-I244 HydrophobicContact CZ-CG1 3.55Å; L235-I244 HydrophobicContact CD2-CG2 4.48Å; A236-I244 CarbonylContact O-C 2.87Å; A236-I244 WeakPolarHBondContact O-CA 3.37Å; S237-I244 WeakPolarHBondContact OG-CD1 3.49Å; I244-R255 CarbonylContact O-C 3.59Å; I244-R255 WeakPolarHBondContact O-CA 3.25Å; I244-F256 HydrophobicContact CB-CB 4.34Å; I244-F256 HydrophobicContact CB-CD2 4.45Å; I244-F256 PolarHBondContact N-O 2.85Å; I244-F256 PolarHBondContact O-N 2.77Å; I244-W268 HydrophobicContact CD1-CH2 4.49Å; I244-W268 HydrophobicContact CG1-CH2 3.82Å; I244-W268 HydrophobicContact CG1-CZ3 3.86Å
245	F	96.7	Very high	93.6	Very high	1 Å²	1	27.1 Å²	27.1	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.5	175.6	-55.9	-81.1	0	0	0	109.8	L235 A236 I243 I253 R254 R255 I274 L284 F286 L310 C324	L235-F245 CarbonylContact C-O 3.5Å; L235-F245 VanDerWaalsContact CA-O 3.3Å; L235-F245 WeakPolarHBondContact CA-O 3.41Å; A236-F245 PolarHBondContact N-O 2.75Å; A236-F245 PolarHBondContact O-N 3.32Å; I243-F245 HydrophobicContact CG2-CE1 3.97Å; I243-F245 HydrophobicContact CG2-CE2 3.81Å; I243-F245 HydrophobicContact CG2-CZ 3.48Å; I243-F245 VanDerWaalsContact CG2-CZ 3.48Å; F245-I253 HydrophobicContact CB-CG2 4.26Å; F245-I253 HydrophobicContact CD1-CG2 4.37Å; F245-R254 CarbonylContact C-O 3.59Å; F245-R254 VanDerWaalsContact CA-O 3.22Å; F245-R254 WeakPolarHBondContact CA-O 3.41Å; F245-R255 HydrophobicContact CD1-CB 4.23Å; F245-R255 HydrophobicContact CD1-CG 4.34Å; F245-R255 HydrophobicContact CE1-CB 4.15Å; F245-R255 HydrophobicContact CE1-CG 3.88Å; F245-I274 HydrophobicContact CD1-CD1 3.99Å; F245-I274 HydrophobicContact CE1-CD1 3.81Å; F245-L284 HydrophobicContact CB-CD1 4.19Å; F245-F286 AromaticContact CE2-CD2 3.91Å; F245-F286 HydrophobicContact CE2-CD2 3.91Å; F245-F286 HydrophobicContact CE2-CE2 4.32Å; F245-L310 HydrophobicContact CB-CD1 4.25Å; F245-L310 HydrophobicContact CB-CD2 4.09Å; F245-L310 HydrophobicContact CD1-CD2 3.88Å; F245-L310 HydrophobicContact CD2-CD1 3.91Å; F245-L310 HydrophobicContact CE1-CD2 4.48Å; F245-L310 HydrophobicContact CE2-CD1 4.46Å; F245-L310 HydrophobicContact CG-CD1 4.02Å; F245-L310 HydrophobicContact CG-CD2 3.9Å; F245-C324 HydrophobicContact CE1-CB 3.69Å; F245-C324 HydrophobicContact CZ-CB 3.59Å
246	S	97.7	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.5	169.7	64.7	0	0	0	0	110.9	H228 A234 I253 R254 F256	H228-S246 PolarHBondContact NE2-OG 3.19Å; A234-S246 CarbonylContact O-C 3.56Å; A234-S246 WeakPolarHBondContact O-CA 3.36Å; S246-I253 CarbonylContact O-C 3.57Å; S246-I253 WeakPolarHBondContact O-CA 3.44Å; S246-R254 PolarHBondContact N-O 2.81Å; S246-R254 PolarHBondContact O-N 2.76Å; S246-F256 VanDerWaalsContact OG-CE2 3.32Å; S246-F256 WeakPolarHBondContact OG-CE2 3.49Å
247	G	96.1	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	176.9	0	0	0	0	0	110.1	L233 A234	L233-G247 PolarHBondContact N-O 3.38Å; A234-G247 PolarHBondContact N-O 3.44Å; A234-G247 VanDerWaalsContact N-O 3.13Å; A234-G247 PolarHBondContact O-N 2.69Å
248	G	94.1	Very high	92.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	166.9	-175.2	0	0	0	0	0	115	D231 D250 A251 I252 I281	D231-G248 CarbonylContact O-C 3.59Å; D231-G248 WeakPolarHBondContact O-CA 3.25Å; G248-D250 PolarHBondContact O-N 3.2Å; G248-A251 PolarHBondContact O-N 2.6Å; G248-I252 PolarHBondContact N-O 2.8Å; G248-I252 VanDerWaalsContact N-O 3.17Å; G248-I281 PolarHBondContact O-N 2.91Å; G248-I281 VanDerWaalsContact O-N 3.1Å
249	A	93.6	Very high	92.5	Very high	23 Å²	23	31.7 Å²	31.7	19%	0.19	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.4	165.4	0	0	0	0	0	112.4	A230 D231 L233 A251 D280	A230-A249 HydrophobicContact CB-CB 3.88Å; D231-A249 HydrophobicContact CB-CB 4.2Å; D231-A249 PolarHBondContact O-N 3.36Å; L233-A249 HydrophobicContact CD1-CB 4.01Å; A249-A251 PolarHBondContact O-N 2.95Å; A249-D280 HydrophobicContact CB-CB 4.45Å
250	D	91.9	Very high	92.3	Very high	34 Å²	34	29.8 Å²	29.8	18%	0.182	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	6.4	172.6	66	-9.2	0	0	0	113.9	H228 H229 A230 G248 I252	H228-D250 WeakPolarHBondContact CA-OD2 3.5Å; H228-D250 WeakPolarHBondContact CB-OD2 3.32Å; H228-D250 IonicContact CE1-OD1 3.22Å; H228-D250 IonicContact CG-OD1 2.74Å; H228-D250 IonicContact CG-OD2 3.1Å; H228-D250 IonicContact ND1-OD1 3.11Å; H228-D250 PolarHBondContact ND1-OD1 2.86Å; H228-D250 IonicContact ND1-OD2 3.59Å; H228-D250 PolarHBondContact ND1-OD2 2.88Å; H229-D250 HydrophobicContact CB-CB 4.33Å; H229-D250 PolarHBondContact N-OD2 3.03Å; H229-D250 IonicContact ND1-OD2 2.58Å; A230-D250 HydrophobicContact CB-CB 4.2Å; G248-D250 PolarHBondContact O-N 3.2Å; D250-I252 PolarHBondContact O-N 3.12Å; D250-I252 PolarHBondContact OD1-N 3.11Å
251	A	90.1	Very high	92	Very high	18 Å²	18	26.6 Å²	26.6	15%	0.149	15%	0.15	C	C	.	.	S	Bend	trans	62.1	17.8	-178.5	0	0	0	0	0	114.6	G248 A249 R279	G248-A251 PolarHBondContact O-N 2.6Å; A249-A251 PolarHBondContact O-N 2.95Å; A251-R279 WeakPolarHBondContact CA-O 3.31Å; A251-R279 WeakPolarHBondContact CB-O 3.38Å
252	I	91.4	Very high	91.5	Very high	29 Å²	29	36.4 Å²	36.4	15%	0.149	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.3	179.1	-63.4	176.5	0	0	0	109.3	H228 G248 D250 R254 V273	H228-I252 PolarHBondContact CE1-O 2.85Å; H228-I252 VanDerWaalsContact CE1-O 3.24Å; G248-I252 PolarHBondContact N-O 2.8Å; G248-I252 VanDerWaalsContact N-O 3.17Å; D250-I252 PolarHBondContact O-N 3.12Å; D250-I252 PolarHBondContact OD1-N 3.11Å; I252-R254 HydrophobicContact CG2-CG 4.06Å; I252-V273 HydrophobicContact CG2-CG1 3.57Å
253	I	93.5	Very high	91	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	131.4	164	-61.6	173.3	0	0	0	108.9	F245 S246 V273 I274 I281 L284 L310 A312 M322	F245-I253 HydrophobicContact CB-CG2 4.26Å; F245-I253 HydrophobicContact CD1-CG2 4.37Å; S246-I253 CarbonylContact O-C 3.57Å; S246-I253 WeakPolarHBondContact O-CA 3.44Å; I253-V273 CarbonylContact O-C 3.59Å; I253-V273 WeakPolarHBondContact O-CA 3.49Å; I253-I274 HydrophobicContact CB-CB 4.01Å; I253-I274 HydrophobicContact CG2-CB 4.17Å; I253-I274 HydrophobicContact CG2-CD1 4.32Å; I253-I274 PolarHBondContact N-O 3.41Å; I253-I274 VanDerWaalsContact N-O 3.15Å; I253-I274 PolarHBondContact O-N 2.9Å; I253-I281 HydrophobicContact CD1-CD1 3.94Å; I253-I281 HydrophobicContact CG1-CD1 3.35Å; I253-L284 HydrophobicContact CD1-CD2 3.75Å; I253-L284 HydrophobicContact CG1-CD2 4.31Å; I253-L310 HydrophobicContact CD1-CD2 3.89Å; I253-L310 HydrophobicContact CG2-CD2 3.71Å; I253-A312 HydrophobicContact CD1-CB 4.08Å; I253-M322 HydrophobicContact CD1-CE 3.26Å; I253-M322 HydrophobicContact CD1-SD 3.98Å
254	R	95	Very high	90.4	Very high	41 Å²	41	41.1 Å²	41.1	16%	0.155	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.2	174.6	-63.3	-175.7	166	-84.3	4.1	110.8	C227 F245 S246 I252 F256	C227-R254 PolarHBondContact O-NE 2.89Å; C227-R254 PolarHBondContact O-NH2 2.94Å; C227-R254 WeakPolarHBondContact SG-CD 3.45Å; F245-R254 CarbonylContact C-O 3.59Å; F245-R254 VanDerWaalsContact CA-O 3.22Å; F245-R254 WeakPolarHBondContact CA-O 3.41Å; S246-R254 PolarHBondContact N-O 2.81Å; S246-R254 PolarHBondContact O-N 2.76Å; I252-R254 HydrophobicContact CG2-CG 4.06Å; R254-F256 HydrophobicContact CB-CE2 4.03Å; R254-F256 HydrophobicContact CB-CZ 4.14Å
255	R	94	Very high	89.7	Confident	30 Å²	30	46.5 Å²	46.5	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131	176.3	-178.7	-179.2	161.2	175.3	-13.7	108.9	I243 I244 F245 E257 C270 S271 G272 C324	I243-R255 HydrophobicContact CG2-CG 3.63Å; I244-R255 CarbonylContact O-C 3.59Å; I244-R255 WeakPolarHBondContact O-CA 3.25Å; F245-R255 HydrophobicContact CD1-CB 4.23Å; F245-R255 HydrophobicContact CD1-CG 4.34Å; F245-R255 HydrophobicContact CE1-CB 4.15Å; F245-R255 HydrophobicContact CE1-CG 3.88Å; R255-E257 IonicContact CZ-OE2 2.92Å; R255-E257 IonicContact NE-OE2 2.73Å; R255-E257 IonicContact NH2-OE1 2.72Å; R255-E257 IonicContact NH2-OE2 3.27Å; R255-E257 PolarHBondContact NH2-OE2 3.15Å; R255-C270 CarbonylContact O-C 3.54Å; R255-C270 WeakPolarHBondContact O-CA 3.47Å; R255-S271 PolarHBondContact O-N 2.99Å; R255-G272 PolarHBondContact N-O 3.16Å; R255-G272 PolarHBondContact O-N 2.8Å; R255-C324 PolarHBondContact NH1-O 2.72Å
256	F	95.1	Very high	89.1	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.8	171.4	-52.7	-93.1	0	0	0	108.8	V211 F225 I243 I244 S246 R254 W268 Q269 C270	V211-F256 HydrophobicContact CB-CE1 4.42Å; V211-F256 HydrophobicContact CB-CE2 4.42Å; V211-F256 HydrophobicContact CB-CZ 3.88Å; V211-F256 HydrophobicContact CG1-CE2 4.22Å; V211-F256 HydrophobicContact CG1-CZ 4.06Å; V211-F256 HydrophobicContact CG2-CE2 4.17Å; V211-F256 HydrophobicContact CG2-CZ 3.83Å; F225-F256 HydrophobicContact CB-CE1 3.85Å; F225-F256 AromaticContact CD2-CD1 3.98Å; F225-F256 HydrophobicContact CD2-CD1 3.98Å; F225-F256 AromaticContact CD2-CE1 3.8Å; F225-F256 HydrophobicContact CD2-CE1 3.8Å; F225-F256 HydrophobicContact CE2-CD1 4.28Å; F225-F256 HydrophobicContact CG-CD1 4.33Å; F225-F256 AromaticContact CG-CE1 3.85Å; F225-F256 HydrophobicContact CG-CE1 3.85Å; I243-F256 VanDerWaalsContact CA-O 3.32Å; I243-F256 WeakPolarHBondContact CA-O 3.46Å; I244-F256 HydrophobicContact CB-CB 4.34Å; I244-F256 HydrophobicContact CB-CD2 4.45Å; I244-F256 PolarHBondContact N-O 2.85Å; I244-F256 PolarHBondContact O-N 2.77Å; S246-F256 VanDerWaalsContact OG-CE2 3.32Å; S246-F256 WeakPolarHBondContact OG-CE2 3.49Å; R254-F256 HydrophobicContact CB-CE2 4.03Å; R254-F256 HydrophobicContact CB-CZ 4.14Å; F256-W268 HydrophobicContact CB-CE3 4.16Å; F256-W268 HydrophobicContact CB-CZ3 4.36Å; F256-Q269 CarbonylContact C-O 3.59Å; F256-Q269 VanDerWaalsContact CA-O 3.23Å; F256-Q269 WeakPolarHBondContact CA-O 3.45Å; F256-C270 HydrophobicContact CD1-CB 4Å; F256-C270 HydrophobicContact CE1-CB 3.93Å
257	E	92.3	Very high	88.8	Confident	63 Å²	63	52.9 Å²	52.9	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	139.4	-177.3	-174.2	164	178.5	0	0	109.6	I243 R255 Q269 S271	I243-E257 HydrophobicContact CG1-CG 4.45Å; R255-E257 IonicContact CZ-OE2 2.92Å; R255-E257 IonicContact NE-OE2 2.73Å; R255-E257 IonicContact NH2-OE1 2.72Å; R255-E257 IonicContact NH2-OE2 3.27Å; R255-E257 PolarHBondContact NH2-OE2 3.15Å; E257-Q269 PolarHBondContact N-O 3.11Å; E257-Q269 PolarHBondContact O-N 3.18Å; E257-S271 PolarHBondContact OE2-OG 3.36Å
258	F	89.3	Confident	88.6	Confident	72 Å²	72	53.3 Å²	53.3	32%	0.316	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.6	172.3	-171.9	-107.2	0	0	0	109.3	F201 S242 V260 W268	F201-F258 HydrophobicContact CE2-CE2 4.47Å; S242-F258 PolarHBondContact O-N 2.85Å; S242-F258 VanDerWaalsContact O-N 3.13Å; F258-V260 HydrophobicContact CD1-CG2 4.35Å; F258-V260 HydrophobicContact CE1-CG2 3.87Å; F258-W268 HydrophobicContact CB-CD2 3.98Å; F258-W268 HydrophobicContact CB-CE3 4.04Å; F258-W268 HydrophobicContact CB-CH2 3.84Å; F258-W268 HydrophobicContact CB-CZ2 3.75Å; F258-W268 HydrophobicContact CB-CZ3 3.98Å; F258-W268 AromaticContact CD2-CD1 3.59Å; F258-W268 AromaticContact CD2-CD2 3.93Å; F258-W268 HydrophobicContact CD2-CD2 3.93Å; F258-W268 AromaticContact CD2-CE2 3.61Å; F258-W268 AromaticContact CD2-CG 3.91Å; F258-W268 HydrophobicContact CD2-CG 3.91Å; F258-W268 HydrophobicContact CD2-CZ2 4.21Å; F258-W268 AromaticContact CD2-NE1 3.4Å; F258-W268 AromaticContact CE2-NE1 3.94Å; F258-W268 HydrophobicContact CG-CD2 4.45Å; F258-W268 HydrophobicContact CG-CZ2 4.25Å
259	S	83.7	Confident	88.6	Confident	34 Å²	34	57.3 Å²	57.3	24%	0.238	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	177.5	57.1	0	0	0	0	110.2	G266 Q267	S259-G266 WeakPolarHBondContact O-CA 3.11Å; S259-Q267 PolarHBondContact N-O 2.92Å; S259-Q267 PolarHBondContact O-N 2.84Å; S259-Q267 PolarHBondContact OG-O 2.87Å
260	V	85	Confident	88.4	Confident	96 Å²	96	58.5 Å²	58.5	58%	0.582	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.1	171.9	-174.5	0	0	0	0	108.5	F258	F258-V260 HydrophobicContact CD1-CG2 4.35Å; F258-V260 HydrophobicContact CE1-CG2 3.87Å
261	S	80.5	Confident	88.2	Confident	45 Å²	45	59.3 Å²	59.3	32%	0.315	34%	0.335	S	S	.	.			trans	-69.3	165.5	175.1	67.8	0	0	0	0	111.6	T263 G264 D265	S261-T263 PolarHBondContact O-N 2.83Å; S261-T263 VanDerWaalsContact O-N 3.15Å; S261-T263 PolarHBondContact OG-N 3.04Å; S261-T263 PolarHBondContact OG-OG1 2.97Å; S261-G264 PolarHBondContact O-N 3.01Å; S261-D265 PolarHBondContact N-O 3.05Å; S261-D265 PolarHBondContact OG-N 3.34Å; S261-D265 VanDerWaalsContact OG-N 3.08Å; S261-D265 PolarHBondContact OG-O 3.24Å; S261-D265 VanDerWaalsContact OG-O 3.13Å
262	E	80.7	Confident	88	Confident	212 Å²	212	59.6 Å²	59.6	99%	0.991	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	170.9	-64.8	-177.5	174.9	0	0	112.9	G264	E262-G264 PolarHBondContact O-N 3.34Å
263	T	81.2	Confident	87.7	Confident	112 Å²	112	60.8 Å²	60.8	69%	0.687	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.3	176.5	59.7	0	0	0	0	113.4	S261 D265	S261-T263 PolarHBondContact O-N 2.83Å; S261-T263 VanDerWaalsContact O-N 3.15Å; S261-T263 PolarHBondContact OG-N 3.04Å; S261-T263 PolarHBondContact OG-OG1 2.97Å; T263-D265 PolarHBondContact OG1-OD2 3.46Å
264	G	80.7	Confident	87.3	Confident	52 Å²	52	62 Å²	62	54%	0.536	36%	0.355	S	S	.	.	S	Bend	trans	87.8	1.2	-175.8	0	0	0	0	0	114.4	S261 E262 G266	S261-G264 PolarHBondContact O-N 3.01Å; E262-G264 PolarHBondContact O-N 3.34Å; G264-G266 PolarHBondContact O-N 3.44Å
265	D	81.7	Confident	86.7	Confident	113 Å²	113	68.1 Å²	68.1	60%	0.604	38%	0.378	S	S	*	.			trans	-82.7	115.5	178.3	-61.3	-51.3	0	0	0	110.1	S261 T263	S261-D265 PolarHBondContact N-O 3.05Å; S261-D265 PolarHBondContact OG-N 3.34Å; S261-D265 VanDerWaalsContact OG-N 3.08Å; S261-D265 PolarHBondContact OG-O 3.24Å; S261-D265 VanDerWaalsContact OG-O 3.13Å; T263-D265 PolarHBondContact OG1-OD2 3.46Å
266	G	84.5	Confident	85.7	Confident	31 Å²	31	68 Å²	68	32%	0.32	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129	174.2	0	0	0	0	0	112	S259 G264	S259-G266 WeakPolarHBondContact O-CA 3.11Å; G264-G266 PolarHBondContact O-N 3.44Å
267	Q	89.9	Confident	85	Confident	104 Å²	104	68.8 Å²	68.8	49%	0.486	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.3	174.5	64.6	-179.6	-8.6	0	0	112.4	S259	S259-Q267 PolarHBondContact N-O 2.92Å; S259-Q267 PolarHBondContact O-N 2.84Å; S259-Q267 PolarHBondContact OG-O 2.87Å
268	W	93.6	Very high	84.4	Confident	8 Å²	8	74.5 Å²	74.5	3%	0.03	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	138.7	170	-76.2	98.5	0	0	0	110.8	F201 F203 I213 Y223 F225 G241 I244 F256 F258	F201-W268 AromaticContact CD2-CE2 3.98Å; F201-W268 AromaticContact CD2-CZ2 3.94Å; F201-W268 HydrophobicContact CD2-CZ2 3.94Å; F201-W268 AromaticContact CD2-NE1 3.4Å; F201-W268 HydrophobicContact CE2-CZ2 4.33Å; F201-W268 AromaticContact CE2-NE1 3.41Å; F203-W268 HydrophobicContact CE1-CD2 4.41Å; F203-W268 HydrophobicContact CE1-CE3 4.35Å; F203-W268 HydrophobicContact CE1-CH2 4.46Å; F203-W268 HydrophobicContact CE1-CZ3 4.38Å; F203-W268 HydrophobicContact CE2-CH2 4.48Å; F203-W268 HydrophobicContact CE2-CZ2 4.28Å; F203-W268 HydrophobicContact CZ-CD2 4.13Å; F203-W268 AromaticContact CZ-CE2 3.75Å; F203-W268 HydrophobicContact CZ-CE3 4.24Å; F203-W268 AromaticContact CZ-CH2 3.69Å; F203-W268 HydrophobicContact CZ-CH2 3.69Å; F203-W268 AromaticContact CZ-CZ2 3.55Å; F203-W268 HydrophobicContact CZ-CZ2 3.55Å; F203-W268 HydrophobicContact CZ-CZ3 4.04Å; I213-W268 HydrophobicContact CD1-CB 3.5Å; I213-W268 HydrophobicContact CD1-CD2 3.8Å; I213-W268 HydrophobicContact CD1-CE3 4.38Å; I213-W268 HydrophobicContact CD1-CG 3.37Å; Y223-W268 HydrophobicContact CD2-CB 4.08Å; Y223-W268 HydrophobicContact CD2-CG 4.46Å; Y223-W268 HydrophobicContact CE2-CB 4.08Å; Y223-W268 AromaticContact CE2-CD1 3.86Å; Y223-W268 HydrophobicContact CE2-CG 4.38Å; Y223-W268 HydrophobicContact CG-CB 4.47Å; F225-W268 HydrophobicContact CE2-CB 4.34Å; F225-W268 HydrophobicContact CZ-CB 4.31Å; F225-W268 WeakPolarHBondContact CZ-O 3.29Å; G241-W268 WeakPolarHBondContact O-CH2 3.44Å; I244-W268 HydrophobicContact CD1-CH2 4.49Å; I244-W268 HydrophobicContact CG1-CH2 3.82Å; I244-W268 HydrophobicContact CG1-CZ3 3.86Å; F256-W268 HydrophobicContact CB-CE3 4.16Å; F256-W268 HydrophobicContact CB-CZ3 4.36Å; F258-W268 HydrophobicContact CB-CD2 3.98Å; F258-W268 HydrophobicContact CB-CE3 4.04Å; F258-W268 HydrophobicContact CB-CH2 3.84Å; F258-W268 HydrophobicContact CB-CZ2 3.75Å; F258-W268 HydrophobicContact CB-CZ3 3.98Å; F258-W268 AromaticContact CD2-CD1 3.59Å; F258-W268 AromaticContact CD2-CD2 3.93Å; F258-W268 HydrophobicContact CD2-CD2 3.93Å; F258-W268 AromaticContact CD2-CE2 3.61Å; F258-W268 AromaticContact CD2-CG 3.91Å; F258-W268 HydrophobicContact CD2-CG 3.91Å; F258-W268 HydrophobicContact CD2-CZ2 4.21Å; F258-W268 AromaticContact CD2-NE1 3.4Å; F258-W268 AromaticContact CE2-NE1 3.94Å; F258-W268 HydrophobicContact CG-CD2 4.45Å; F258-W268 HydrophobicContact CG-CZ2 4.25Å
269	Q	92	Very high	84.2	Confident	85 Å²	85	73.1 Å²	73.1	40%	0.397	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.3	174.5	59	179	-0.7	0	0	111.8	F256 E257 S271	F256-Q269 CarbonylContact C-O 3.59Å; F256-Q269 VanDerWaalsContact CA-O 3.23Å; F256-Q269 WeakPolarHBondContact CA-O 3.45Å; E257-Q269 PolarHBondContact N-O 3.11Å; E257-Q269 PolarHBondContact O-N 3.18Å; Q269-S271 PolarHBondContact O-N 2.94Å; Q269-S271 VanDerWaalsContact O-N 3.15Å
270	C	90.7	Very high	84.6	Confident	48 Å²	48	74.1 Å²	74.1	32%	0.324	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	93.9	169.7	178.7	0	0	0	0	109	R255 F256	R255-C270 CarbonylContact O-C 3.54Å; R255-C270 WeakPolarHBondContact O-CA 3.47Å; F256-C270 HydrophobicContact CD1-CB 4Å; F256-C270 HydrophobicContact CE1-CB 3.93Å
271	S	86.7	Confident	85	Confident	50 Å²	50	69.6 Å²	69.6	35%	0.35	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-20	-170.5	62.1	0	0	0	0	114.8	R255 E257 Q269	R255-S271 PolarHBondContact O-N 2.99Å; E257-S271 PolarHBondContact OE2-OG 3.36Å; Q269-S271 PolarHBondContact O-N 2.94Å; Q269-S271 VanDerWaalsContact O-N 3.15Å
272	G	85.9	Confident	85.7	Confident	25 Å²	25	70.1 Å²	70.1	26%	0.258	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	172.5	-177.2	0	0	0	0	0	116.4	R255	R255-G272 PolarHBondContact N-O 3.16Å; R255-G272 PolarHBondContact O-N 2.8Å
273	V	86.6	Confident	86.4	Confident	54 Å²	54	60.3 Å²	60.3	33%	0.327	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.4	178	179.9	0	0	0	0	109.1	I252 I253 R275	I252-V273 HydrophobicContact CG2-CG1 3.57Å; I253-V273 CarbonylContact O-C 3.59Å; I253-V273 WeakPolarHBondContact O-CA 3.49Å; V273-R275 HydrophobicContact CG1-CG 4.07Å
274	I	84.7	Confident	87.1	Confident	27 Å²	27	55.8 Å²	55.8	14%	0.138	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.8	174.3	-60.4	167.6	0	0	0	107.5	F245 I253 L310 M322 C324	F245-I274 HydrophobicContact CD1-CD1 3.99Å; F245-I274 HydrophobicContact CE1-CD1 3.81Å; I253-I274 HydrophobicContact CB-CB 4.01Å; I253-I274 HydrophobicContact CG2-CB 4.17Å; I253-I274 HydrophobicContact CG2-CD1 4.32Å; I253-I274 PolarHBondContact N-O 3.41Å; I253-I274 VanDerWaalsContact N-O 3.15Å; I253-I274 PolarHBondContact O-N 2.9Å; I274-L310 HydrophobicContact CD1-CD2 4.28Å; I274-M322 HydrophobicContact CG2-CB 4.37Å; I274-M322 HydrophobicContact CG2-SD 3.98Å; I274-C324 HydrophobicContact CD1-CB 3.91Å
275	R	81.8	Confident	87.8	Confident	169 Å²	169	53.8 Å²	53.8	64%	0.638	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	177.2	-65.4	-173.9	175.3	84.6	-0.3	109.5	V273	V273-R275 HydrophobicContact CG1-CG 4.07Å
276	G	72.9	Confident	88.3	Confident	27 Å²	27	49.4 Å²	49.4	28%	0.278	26%	0.258	S	S	.	.			trans	-178.4	-38.8	178.7	0	0	0	0	0	113.7
277	S	81.2	Confident	88.6	Confident	17 Å²	17	48 Å²	48	12%	0.119	24%	0.243	C	C	.	.			trans	-68.3	149.5	168.4	-162.8	0	0	0	0	111.1	R279 D316	S277-R279 PolarHBondContact OG-N 2.97Å; S277-R279 PolarHBondContact OG-O 2.88Å; S277-D316 PolarHBondContact OG-OD2 3.3Å; S277-D316 VanDerWaalsContact OG-OD2 3.04Å
278	R	79.5	Confident	88.3	Confident	183 Å²	183	44.3 Å²	44.3	69%	0.691	23%	0.228	S	C	*	.	S	Bend	trans	-109.8	-6.9	173.2	-61.2	-177.4	-179.5	-159.2	-2.1	112.2	D316 L874	R278-D316 PolarHBondContact N-OD2 3.26Å; R278-L874 HydrophobicContact CB-CD2 4.29Å
279	R	85.7	Confident	87.5	Confident	44 Å²	44	44.5 Å²	44.5	17%	0.166	23%	0.232	C	C	.	.	S	Bend	trans	-142.2	177.1	-178.1	-60.7	-75.8	-169	-172.7	-0.9	111.3	A251 S277 Q315 D316 P869 L870 R872	A251-R279 WeakPolarHBondContact CA-O 3.31Å; A251-R279 WeakPolarHBondContact CB-O 3.38Å; S277-R279 PolarHBondContact OG-N 2.97Å; S277-R279 PolarHBondContact OG-O 2.88Å; R279-Q315 HydrophobicContact CB-CB 3.85Å; R279-D316 WeakPolarHBondContact CB-OD1 3.44Å; R279-D316 WeakPolarHBondContact CG-OD1 3.48Å; R279-D316 PolarHBondContact N-OD2 3.06Å; R279-P869 PolarHBondContact NH1-O 3.36Å; R279-L870 PolarHBondContact NH2-O 2.8Å; R279-R872 PolarHBondContact NH1-O 2.83Å; R279-R872 PolarHBondContact NH2-O 3.2Å
280	D	91	Very high	86.4	Confident	55 Å²	55	46.3 Å²	46.3	29%	0.294	24%	0.24	S	C	.	.			trans	-45.1	133.2	176.7	-48.2	34.9	0	0	0	111.7	L233 A249 G314 Q315	L233-D280 HydrophobicContact CD1-CB 4.31Å; A249-D280 HydrophobicContact CB-CB 4.45Å; D280-G314 VanDerWaalsContact O-CA 3.31Å; D280-G314 WeakPolarHBondContact O-CA 3.38Å; D280-Q315 HydrophobicContact CB-CB 4.1Å; D280-Q315 PolarHBondContact O-N 3.39Å
281	I	93.8	Very high	85	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	109.9	-176.8	-57.5	175	0	0	0	108.5	L233 G248 I253 L284 A312	L233-I281 VanDerWaalsContact CB-O 3.23Å; L233-I281 WeakPolarHBondContact CB-O 3.45Å; G248-I281 PolarHBondContact O-N 2.91Å; G248-I281 VanDerWaalsContact O-N 3.1Å; I253-I281 HydrophobicContact CD1-CD1 3.94Å; I253-I281 HydrophobicContact CG1-CD1 3.35Å; I281-L284 HydrophobicContact CG2-CD2 3.85Å; I281-L284 HydrophobicContact CG2-CG 4.07Å; I281-A312 HydrophobicContact CG2-CB 4.18Å
282	H	94.7	Very high	83.3	Confident	55 Å²	55	50.5 Å²	50.5	26%	0.255	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-20.6	-176.6	-75.2	-77.9	0	0	0	113.9	L20 V313	L20-H282 WeakPolarHBondContact O-CB 3.33Å; H282-V313 PolarHBondContact N-O 2.86Å
283	G	95.3	Very high	81.5	Confident	7 Å²	7	54.3 Å²	54.3	7%	0.072	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.6	-179.6	0	0	0	0	0	111.9	A312 V313	G283-A312 WeakPolarHBondContact O-CA 3.46Å; G283-V313 PolarHBondContact N-O 2.96Å; G283-V313 VanDerWaalsContact N-O 3.11Å; G283-V313 PolarHBondContact O-N 3.01Å
284	L	96.7	Very high	79.7	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.084	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.8	174.5	-71	177.8	0	0	0	109.8	A234 A236 F245 I253 I281 L310 L311 A312	A234-L284 HydrophobicContact CB-CB 4.26Å; A234-L284 HydrophobicContact CB-CD1 4.17Å; A234-L284 HydrophobicContact CB-CG 3.89Å; A236-L284 HydrophobicContact CB-CB 3.6Å; F245-L284 HydrophobicContact CB-CD1 4.19Å; I253-L284 HydrophobicContact CD1-CD2 3.75Å; I253-L284 HydrophobicContact CG1-CD2 4.31Å; I281-L284 HydrophobicContact CG2-CD2 3.85Å; I281-L284 HydrophobicContact CG2-CG 4.07Å; L284-L310 HydrophobicContact CD2-CD1 4.46Å; L284-L310 HydrophobicContact CD2-CD2 4.19Å; L284-L310 HydrophobicContact CD2-CG 4.26Å; L284-L311 VanDerWaalsContact CA-O 3.31Å; L284-L311 WeakPolarHBondContact CA-O 3.46Å; L284-L311 WeakPolarHBondContact CD2-O 3.41Å; L284-A312 HydrophobicContact CD2-CB 3.64Å
285	A	95	Very high	78.1	Confident	11 Å²	11	60.4 Å²	60.4	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	135.4	170.9	0	0	0	0	0	110.9	L22 R24 L311	L22-A285 HydrophobicContact CD2-CB 3.6Å; L22-A285 HydrophobicContact CG-CB 4.22Å; R24-A285 HydrophobicContact CB-CB 4.28Å; A285-L311 HydrophobicContact CB-CB 4.27Å; A285-L311 HydrophobicContact CB-CD1 4.31Å; A285-L311 PolarHBondContact N-O 3.24Å; A285-L311 VanDerWaalsContact N-O 3.07Å; A285-L311 WeakPolarHBondContact O-CB 3.23Å; A285-L311 PolarHBondContact O-N 2.92Å
286	F	93.3	Very high	76.8	Confident	20 Å²	20	54.8 Å²	54.8	9%	0.088	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135.7	176.8	-178.4	-98.3	0	0	0	111.2	R24 S237 N238 L239 F245 P288 H308	R24-F286 WeakPolarHBondContact CD-O 3.12Å; R24-F286 PolarHBondContact NH1-O 3.39Å; S237-F286 WeakPolarHBondContact O-CB 3.3Å; N238-F286 HydrophobicContact CB-CD1 4.22Å; N238-F286 HydrophobicContact CB-CD2 4.16Å; N238-F286 HydrophobicContact CB-CE1 3.9Å; N238-F286 HydrophobicContact CB-CE2 3.83Å; N238-F286 HydrophobicContact CB-CG 4.33Å; N238-F286 HydrophobicContact CB-CZ 3.67Å; L239-F286 HydrophobicContact CG-CE1 4.28Å; F245-F286 AromaticContact CE2-CD2 3.91Å; F245-F286 HydrophobicContact CE2-CD2 3.91Å; F245-F286 HydrophobicContact CE2-CE2 4.32Å; F286-P288 HydrophobicContact CE1-CB 4Å; F286-H308 AromaticContact CE1-ND1 3.95Å; F286-H308 HydrophobicContact CE2-CB 3.87Å; F286-H308 HydrophobicContact CZ-CB 3.8Å; F286-H308 AromaticContact CZ-CG 3.73Å; F286-H308 AromaticContact CZ-ND1 3.35Å; F286-H308 WeakPolarHBondContact CZ-ND1 3.4Å
287	I	89	Confident	75.4	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119	168.9	-55.7	172.8	0	0	0	107.5	I30 F48 R309 L311	I30-I287 HydrophobicContact CD1-CD1 4.35Å; F48-I287 HydrophobicContact CE1-CD1 3.9Å; F48-I287 HydrophobicContact CZ-CD1 3.73Å; I287-R309 HydrophobicContact CB-CB 4.2Å; I287-R309 PolarHBondContact N-O 3.13Å; I287-R309 PolarHBondContact O-N 3.1Å; I287-L311 HydrophobicContact CD1-CD1 3.86Å; I287-L311 HydrophobicContact CD1-CD2 3.71Å; I287-L311 HydrophobicContact CD1-CG 3.69Å; I287-L311 HydrophobicContact CG1-CD1 4.18Å; I287-L311 HydrophobicContact CG1-CG 4.06Å
288	P	84.8	Confident	73.5	Confident	27 Å²	27	66 Å²	66	18%	0.175	35%	0.351	C	S	.	.			trans	-65.8	137.4	173.7	30	-34	0	0	0	110.5	R24 L239 F286	R24-P288 VanDerWaalsContact NH1-CD 3.34Å; L239-P288 HydrophobicContact CD1-CB 3.5Å; L239-P288 VanDerWaalsContact CD1-CB 3.5Å; L239-P288 HydrophobicContact CD1-CG 3.88Å; L239-P288 HydrophobicContact CG-CB 4.12Å; L239-P288 HydrophobicContact CG-CG 4.39Å; F286-P288 HydrophobicContact CE1-CB 4Å
289	G	76.3	Confident	71.9	Confident	11 Å²	11	62.5 Å²	62.5	11%	0.113	36%	0.355	C	S	.	.			trans	-81.8	173.6	164.8	0	0	0	0	0	111.1	E306 H308	G289-E306 CarbonylContact C-O 3.58Å; G289-E306 WeakPolarHBondContact CA-O 3.42Å; G289-H308 PolarHBondContact N-ND1 2.88Å
290	H	69.8	Low	69.9	Low	123 Å²	123	69.5 Å²	69.5	57%	0.569	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-111.6	107.8	173.2	-71	-76.9	0	0	0	108.5	F305 E306	H290-F305 WeakPolarHBondContact O-CA 3.33Å; H290-E306 HydrophobicContact CB-CB 4.46Å; H290-E306 PolarHBondContact N-O 3.06Å; H290-E306 PolarHBondContact O-N 2.83Å
291	H	59.6	Low	67.5	Low	104 Å²	104	72.1 Å²	72.1	48%	0.481	41%	0.409	S	S	.	.			trans	-89.6	114.5	170.4	-64.6	-40.7	0	0	0	109	F305 H308 E325	H291-F305 AromaticContact CE1-CE2 3.32Å; H291-F305 WeakPolarHBondContact CE1-CE2 3.31Å; H291-F305 AromaticContact CE1-CZ 3.56Å; H291-F305 AromaticContact ND1-CD2 3.43Å; H291-F305 WeakPolarHBondContact ND1-CD2 2.9Å; H291-F305 AromaticContact ND1-CE2 2.88Å; H291-F305 WeakPolarHBondContact ND1-CE2 3.26Å; H291-F305 AromaticContact ND1-CZ 3.58Å; H291-H308 AromaticContact CD2-NE2 3.6Å; H291-H308 AromaticContact CE1-CD2 3.98Å; H291-H308 AromaticContact NE2-CD2 3.37Å; H291-H308 PolarHBondContact NE2-CD2 3.14Å; H291-H308 AromaticContact NE2-NE2 3.18Å; H291-H308 PolarHBondContact NE2-NE2 2.89Å; H291-H308 VanDerWaalsContact NE2-NE2 3.18Å; H291-E325 IonicContact CE1-OE1 3.02Å; H291-E325 PolarHBondContact CE1-OE1 2.82Å; H291-E325 IonicContact NE2-OE1 3.96Å
292	H	50.9	Low	65.1	Low	83 Å²	83	76.2 Å²	76.2	38%	0.384	43%	0.431	S	S	.	.			trans	-90.8	131.4	166.8	-167.4	-77.4	0	0	0	109.4	P294	H292-P294 WeakPolarHBondContact O-CD 3.27Å
293	D	48.4	Very low	62.9	Low	105 Å²	105	78.8 Å²	78.8	56%	0.561	45%	0.451	S	S	*	.			trans	-82.1	114.7	173.6	-164.8	4.9	0	0	0	109	S295 A296	D293-S295 PolarHBondContact O-N 3.09Å; D293-S295 PolarHBondContact OD1-OG 3.13Å; D293-S295 PolarHBondContact OD2-OG 2.93Å; D293-S295 VanDerWaalsContact OD2-OG 3.12Å; D293-A296 PolarHBondContact O-N 3.1Å
294	P	49.1	Very low	60.7	Low	122 Å²	122	81.8 Å²	81.8	79%	0.792	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.8	-176.3	21.2	-31.9	0	0	0	114.3	H292	H292-P294 WeakPolarHBondContact O-CD 3.27Å
295	S	51.3	Low	58.7	Low	86 Å²	86	82.7 Å²	82.7	60%	0.601	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-9.5	174.5	43.8	0	0	0	0	115.3	D293 E297	D293-S295 PolarHBondContact O-N 3.09Å; D293-S295 PolarHBondContact OD1-OG 3.13Å; D293-S295 PolarHBondContact OD2-OG 2.93Å; D293-S295 VanDerWaalsContact OD2-OG 3.12Å; S295-E297 PolarHBondContact O-N 3.02Å; S295-E297 VanDerWaalsContact O-N 3.15Å
296	A	54.4	Low	57.2	Low	52 Å²	52	84.2 Å²	84.2	43%	0.43	47%	0.468	S	S	.	.			trans	-79.2	95.5	173.5	0	0	0	0	0	109.9	D293 S298	D293-A296 PolarHBondContact O-N 3.1Å; A296-S298 PolarHBondContact O-N 3.35Å
297	E	42.9	Very low	56.1	Low	192 Å²	192	83.4 Å²	83.4	90%	0.897	47%	0.465	S	S	*	.			trans	-68.2	36.1	178.4	-66	-175.6	152	0	0	114.4	S295 S299	S295-E297 PolarHBondContact O-N 3.02Å; S295-E297 VanDerWaalsContact O-N 3.15Å; E297-S299 PolarHBondContact O-N 3.08Å; E297-S299 VanDerWaalsContact O-N 3.11Å
298	S	43.2	Very low	55.7	Low	88 Å²	88	85.5 Å²	85.5	62%	0.615	48%	0.475	S	S	*	.			trans	-75.2	109.4	174.8	62	0	0	0	0	110	A296 F300	A296-S298 PolarHBondContact O-N 3.35Å; S298-F300 PolarHBondContact O-N 3.26Å
299	S	45.2	Very low	55.7	Low	109 Å²	109	84.8 Å²	84.8	76%	0.762	47%	0.468	S	S	*	.			trans	-68.7	67.4	-179.3	59.5	0	0	0	0	112.5	E297	E297-S299 PolarHBondContact O-N 3.08Å; E297-S299 VanDerWaalsContact O-N 3.11Å
300	F	42.6	Very low	56.4	Low	190 Å²	190	84.2 Å²	84.2	83%	0.833	46%	0.463	S	S	*	.			trans	-152.9	116.6	158.1	-101	-81.9	0	0	0	108.8	S298	S298-F300 PolarHBondContact O-N 3.26Å
301	S	41.1	Very low	57.4	Low	111 Å²	111	78.4 Å²	78.4	78%	0.776	44%	0.436	S	S	*	.			trans	-43.6	141.5	175.9	50.6	0	0	0	0	114.5
302	D	44.6	Very low	59	Low	87 Å²	87	73.5 Å²	73.5	47%	0.465	41%	0.413	S	S	.	.			trans	102.9	29.5	146.3	-123.7	7.6	0	0	0	119.7	R304	D302-R304 IonicContact OD1-CZ 3.56Å; D302-R304 IonicContact OD1-NE 3.73Å; D302-R304 PolarHBondContact OD1-NE 3.48Å; D302-R304 IonicContact OD1-NH2 3.98Å; D302-R304 PolarHBondContact OD1-NH2 3.23Å
303	V	46.9	Very low	61	Low	109 Å²	109	69.7 Å²	69.7	66%	0.661	40%	0.396	S	S	*	.			trans	-103.7	100.8	162.9	-170.4	0	0	0	0	110
304	R	49.9	Very low	62.9	Low	69 Å²	69	64.8 Å²	64.8	26%	0.26	37%	0.37	S	S	.	.			trans	-85	158.1	-176.6	-59.6	-173.5	-166.5	-168.1	1.1	112.2	D302 E306 E338 V683	D302-R304 IonicContact OD1-CZ 3.56Å; D302-R304 IonicContact OD1-NE 3.73Å; D302-R304 PolarHBondContact OD1-NE 3.48Å; D302-R304 IonicContact OD1-NH2 3.98Å; D302-R304 PolarHBondContact OD1-NH2 3.23Å; R304-E306 PolarHBondContact O-N 2.82Å; R304-E338 VanDerWaalsContact NH1-CB 3.26Å; R304-E338 PolarHBondContact NH1-O 2.93Å; R304-E338 IonicContact NH1-OE2 3.2Å; R304-E338 PolarHBondContact NH1-OE2 2.8Å; R304-V683 HydrophobicContact CG-CG1 4.06Å; R304-V683 VanDerWaalsContact CZ-CG1 3.47Å
305	F	55.5	Low	64.8	Low	35 Å²	35	59.8 Å²	59.8	15%	0.154	34%	0.336	C	S	.	.			trans	-61.7	124	170.1	176.2	-86	0	0	0	110.6	H290 H291 P307 V333 A337	H290-F305 WeakPolarHBondContact O-CA 3.33Å; H291-F305 AromaticContact CE1-CE2 3.32Å; H291-F305 WeakPolarHBondContact CE1-CE2 3.31Å; H291-F305 AromaticContact CE1-CZ 3.56Å; H291-F305 AromaticContact ND1-CD2 3.43Å; H291-F305 WeakPolarHBondContact ND1-CD2 2.9Å; H291-F305 AromaticContact ND1-CE2 2.88Å; H291-F305 WeakPolarHBondContact ND1-CE2 3.26Å; H291-F305 AromaticContact ND1-CZ 3.58Å; F305-P307 HydrophobicContact CE1-CB 3.89Å; F305-P307 HydrophobicContact CE1-CG 4.39Å; F305-P307 HydrophobicContact CZ-CB 4.4Å; F305-V333 HydrophobicContact CD1-CG1 4.02Å; F305-V333 HydrophobicContact CD2-CG1 3.54Å; F305-V333 HydrophobicContact CE1-CG1 3.92Å; F305-V333 HydrophobicContact CE2-CG1 3.37Å; F305-V333 HydrophobicContact CG-CG1 3.86Å; F305-V333 HydrophobicContact CZ-CG1 3.61Å; F305-A337 HydrophobicContact CD1-CB 4.14Å
306	E	62.8	Low	66.1	Low	43 Å²	43	57.4 Å²	57.4	20%	0.201	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-112.8	126.6	163.8	-68.9	-160.9	-172.7	0	0	109.1	G289 H290 R304 R309 V343	G289-E306 CarbonylContact C-O 3.58Å; G289-E306 WeakPolarHBondContact CA-O 3.42Å; H290-E306 HydrophobicContact CB-CB 4.46Å; H290-E306 PolarHBondContact N-O 3.06Å; H290-E306 PolarHBondContact O-N 2.83Å; R304-E306 PolarHBondContact O-N 2.82Å; E306-R309 IonicContact OE2-CZ 3.81Å; E306-R309 IonicContact OE2-NH1 2.87Å; E306-R309 PolarHBondContact OE2-NH1 2.78Å; E306-R309 IonicContact OE2-NH2 3.11Å; E306-R309 PolarHBondContact OE2-NH2 2.81Å; E306-V343 HydrophobicContact CG-CG2 4.46Å
307	P	69.7	Low	67.4	Low	3 Å²	3	55.3 Å²	55.3	2%	0.019	30%	0.3	C	S	.	.			trans	-70.7	154.5	175.1	28.9	-33.3	0	0	0	111.2	F305 E325	F305-P307 HydrophobicContact CE1-CB 3.89Å; F305-P307 HydrophobicContact CE1-CG 4.39Å; F305-P307 HydrophobicContact CZ-CB 4.4Å; P307-E325 WeakPolarHBondContact CA-OE1 3.22Å
308	H	81.8	Confident	69.2	Low	47 Å²	47	47.2 Å²	47.2	22%	0.218	26%	0.264	C	S	.	.			trans	-60.7	141.2	167.9	-63.6	-70.4	0	0	0	111.2	F286 G289 H291 E325	F286-H308 AromaticContact CE1-ND1 3.95Å; F286-H308 HydrophobicContact CE2-CB 3.87Å; F286-H308 HydrophobicContact CZ-CB 3.8Å; F286-H308 AromaticContact CZ-CG 3.73Å; F286-H308 AromaticContact CZ-ND1 3.35Å; F286-H308 WeakPolarHBondContact CZ-ND1 3.4Å; G289-H308 PolarHBondContact N-ND1 2.88Å; H291-H308 AromaticContact CD2-NE2 3.6Å; H291-H308 AromaticContact CE1-CD2 3.98Å; H291-H308 AromaticContact NE2-CD2 3.37Å; H291-H308 PolarHBondContact NE2-CD2 3.14Å; H291-H308 AromaticContact NE2-NE2 3.18Å; H291-H308 PolarHBondContact NE2-NE2 2.89Å; H291-H308 VanDerWaalsContact NE2-NE2 3.18Å; H308-E325 HydrophobicContact CB-CG 4.14Å; H308-E325 IonicContact CD2-OE1 3.44Å; H308-E325 PolarHBondContact CD2-OE1 3.43Å; H308-E325 IonicContact CG-OE1 3.48Å; H308-E325 PolarHBondContact N-OE1 2.72Å
309	R	84.1	Confident	71.3	Confident	11 Å²	11	43.1 Å²	43.1	4%	0.042	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.2	-177.5	-57.9	176	-78	-117.3	-3.7	111.9	I287 E306 V321 M322 A342	I287-R309 HydrophobicContact CB-CB 4.2Å; I287-R309 PolarHBondContact N-O 3.13Å; I287-R309 PolarHBondContact O-N 3.1Å; E306-R309 IonicContact OE2-CZ 3.81Å; E306-R309 IonicContact OE2-NH1 2.87Å; E306-R309 PolarHBondContact OE2-NH1 2.78Å; E306-R309 IonicContact OE2-NH2 3.11Å; E306-R309 PolarHBondContact OE2-NH2 2.81Å; R309-V321 HydrophobicContact CB-CG1 4.28Å; R309-V321 HydrophobicContact CG-CG1 4.4Å; R309-M322 CarbonylContact C-O 3.5Å; R309-M322 VanDerWaalsContact CA-O 3.27Å; R309-M322 WeakPolarHBondContact CA-O 3.47Å; R309-A342 VanDerWaalsContact CD-O 3.27Å; R309-A342 WeakPolarHBondContact CD-O 3.5Å; R309-A342 PolarHBondContact NH1-O 2.92Å
310	L	90	Very high	73.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.8	171.3	-172.6	68	0	0	0	109.4	A236 F245 I253 I274 L284 M322 C324	A236-L310 HydrophobicContact CB-CD1 4.47Å; F245-L310 HydrophobicContact CB-CD1 4.25Å; F245-L310 HydrophobicContact CB-CD2 4.09Å; F245-L310 HydrophobicContact CD1-CD2 3.88Å; F245-L310 HydrophobicContact CD2-CD1 3.91Å; F245-L310 HydrophobicContact CE1-CD2 4.48Å; F245-L310 HydrophobicContact CE2-CD1 4.46Å; F245-L310 HydrophobicContact CG-CD1 4.02Å; F245-L310 HydrophobicContact CG-CD2 3.9Å; I253-L310 HydrophobicContact CD1-CD2 3.89Å; I253-L310 HydrophobicContact CG2-CD2 3.71Å; I274-L310 HydrophobicContact CD1-CD2 4.28Å; L284-L310 HydrophobicContact CD2-CD1 4.46Å; L284-L310 HydrophobicContact CD2-CD2 4.19Å; L284-L310 HydrophobicContact CD2-CG 4.26Å; L310-M322 PolarHBondContact N-O 2.84Å; L310-M322 PolarHBondContact O-N 3.12Å; L310-C324 HydrophobicContact CB-CB 4.05Å
311	L	92.5	Very high	75.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.2	168.3	-59.6	-178.6	0	0	0	109.7	L22 I30 F48 L284 A285 I287 L319 L320 V321	L22-L311 HydrophobicContact CD2-CB 3.82Å; L22-L311 HydrophobicContact CD2-CD1 4.38Å; I30-L311 HydrophobicContact CD1-CD1 3.47Å; I30-L311 VanDerWaalsContact CD1-CD1 3.47Å; I30-L311 HydrophobicContact CG1-CD1 3.94Å; I30-L311 HydrophobicContact CG2-CD1 3.95Å; F48-L311 HydrophobicContact CE1-CD2 3.87Å; F48-L311 HydrophobicContact CZ-CD2 4.06Å; L284-L311 VanDerWaalsContact CA-O 3.31Å; L284-L311 WeakPolarHBondContact CA-O 3.46Å; L284-L311 WeakPolarHBondContact CD2-O 3.41Å; A285-L311 HydrophobicContact CB-CB 4.27Å; A285-L311 HydrophobicContact CB-CD1 4.31Å; A285-L311 PolarHBondContact N-O 3.24Å; A285-L311 VanDerWaalsContact N-O 3.07Å; A285-L311 WeakPolarHBondContact O-CB 3.23Å; A285-L311 PolarHBondContact O-N 2.92Å; I287-L311 HydrophobicContact CD1-CD1 3.86Å; I287-L311 HydrophobicContact CD1-CD2 3.71Å; I287-L311 HydrophobicContact CD1-CG 3.69Å; I287-L311 HydrophobicContact CG1-CD1 4.18Å; I287-L311 HydrophobicContact CG1-CG 4.06Å; L311-L319 HydrophobicContact CB-CD1 4.27Å; L311-L319 HydrophobicContact CD2-CD1 4.36Å; L311-L320 CarbonylContact C-O 3.53Å; L311-L320 VanDerWaalsContact CA-O 3.26Å; L311-L320 WeakPolarHBondContact CA-O 3.38Å; L311-V321 HydrophobicContact CD2-CB 4.28Å; L311-V321 HydrophobicContact CD2-CG1 4.19Å; L311-V321 HydrophobicContact CD2-CG2 3.74Å
312	A	92.1	Very high	77.1	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.7	167.5	0	0	0	0	0	111.2	I253 I281 G283 L284 L320 M322	I253-A312 HydrophobicContact CD1-CB 4.08Å; I281-A312 HydrophobicContact CG2-CB 4.18Å; G283-A312 WeakPolarHBondContact O-CA 3.46Å; L284-A312 HydrophobicContact CD2-CB 3.64Å; A312-L320 HydrophobicContact CB-CB 4.28Å; A312-L320 PolarHBondContact N-O 3.15Å; A312-L320 PolarHBondContact O-N 3.06Å; A312-M322 HydrophobicContact CB-CE 3.38Å
313	V	92.1	Very high	78.6	Confident	4 Å²	4	21.3 Å²	21.3	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.6	171.8	-60.5	0	0	0	0	109.8	F19 L22 H282 G283 L319	F19-V313 HydrophobicContact CB-CB 3.54Å; F19-V313 HydrophobicContact CB-CG1 4.32Å; F19-V313 HydrophobicContact CB-CG2 3.84Å; F19-V313 HydrophobicContact CD2-CB 4.16Å; F19-V313 HydrophobicContact CD2-CG1 4.31Å; F19-V313 HydrophobicContact CG-CB 3.94Å; F19-V313 HydrophobicContact CG-CG1 4.22Å; L22-V313 HydrophobicContact CB-CG2 3.76Å; L22-V313 HydrophobicContact CD1-CG1 3.93Å; L22-V313 HydrophobicContact CD2-CG1 4.28Å; L22-V313 HydrophobicContact CD2-CG2 4.44Å; L22-V313 HydrophobicContact CG-CG2 4.49Å; H282-V313 PolarHBondContact N-O 2.86Å; G283-V313 PolarHBondContact N-O 2.96Å; G283-V313 VanDerWaalsContact N-O 3.11Å; G283-V313 PolarHBondContact O-N 3.01Å; V313-L319 HydrophobicContact CG1-CB 4.39Å; V313-L319 HydrophobicContact CG1-CD1 3.34Å; V313-L319 HydrophobicContact CG1-CG 4.46Å
314	G	90.2	Very high	79.9	Confident	2 Å²	2	16.5 Å²	16.5	2%	0.021	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172	-143.2	175.1	0	0	0	0	0	112.9	F19 D280 D316 A317	F19-G314 PolarHBondContact N-O 3.16Å; F19-G314 CarbonylContact O-C 3.43Å; F19-G314 WeakPolarHBondContact O-CA 3.42Å; D280-G314 VanDerWaalsContact O-CA 3.31Å; D280-G314 WeakPolarHBondContact O-CA 3.38Å; G314-D316 PolarHBondContact O-N 2.75Å; G314-D316 VanDerWaalsContact O-N 3.14Å; G314-A317 PolarHBondContact O-N 2.73Å
315	Q	87.3	Confident	80.9	Confident	16 Å²	16	15.3 Å²	15.3	8%	0.075	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12	-170.9	-166.2	65	20.4	0	0	113	R279 D280 A317 P869 L870	R279-Q315 HydrophobicContact CB-CB 3.85Å; D280-Q315 HydrophobicContact CB-CB 4.1Å; D280-Q315 PolarHBondContact O-N 3.39Å; Q315-A317 PolarHBondContact O-N 3.45Å; Q315-P869 HydrophobicContact CG-CB 4.17Å; Q315-L870 HydrophobicContact CG-CD2 4.46Å; Q315-L870 HydrophobicContact CG-CG 4.34Å; Q315-L870 WeakPolarHBondContact O-CD2 3.4Å
316	D	78.4	Confident	80.9	Confident	36 Å²	36	16.2 Å²	16.2	19%	0.193	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.7	172.2	-84.2	-27	0	0	0	114.6	S277 R278 R279 G314 C318	S277-D316 PolarHBondContact OG-OD2 3.3Å; S277-D316 VanDerWaalsContact OG-OD2 3.04Å; R278-D316 PolarHBondContact N-OD2 3.26Å; R279-D316 WeakPolarHBondContact CB-OD1 3.44Å; R279-D316 WeakPolarHBondContact CG-OD1 3.48Å; R279-D316 PolarHBondContact N-OD2 3.06Å; G314-D316 PolarHBondContact O-N 2.75Å; G314-D316 VanDerWaalsContact O-N 3.14Å; D316-C318 PolarHBondContact O-N 3.2Å; D316-C318 VanDerWaalsContact O-N 3.08Å; D316-C318 PolarHBondContact O-SG 2.94Å
317	A	82.7	Confident	80.2	Confident	9 Å²	9	18.1 Å²	18.1	7%	0.074	10%	0.102	C	C	.	.	S	Bend	trans	56.2	22.5	-177.8	0	0	0	0	0	114.3	P16 S17 G314 Q315	P16-A317 HydrophobicContact CB-CB 3.88Å; S17-A317 VanDerWaalsContact O-CB 3.31Å; S17-A317 WeakPolarHBondContact O-CB 3.17Å; G314-A317 PolarHBondContact O-N 2.73Å; Q315-A317 PolarHBondContact O-N 3.45Å
318	C	81.5	Confident	78.9	Confident	21 Å²	21	26.6 Å²	26.6	14%	0.142	14%	0.141	C	C	.	.	S	Bend	trans	-128.1	149.9	179.4	-60.7	0	0	0	0	110.2	D316 L320	D316-C318 PolarHBondContact O-N 3.2Å; D316-C318 VanDerWaalsContact O-N 3.08Å; D316-C318 PolarHBondContact O-SG 2.94Å; C318-L320 HydrophobicContact CB-CD2 4.31Å
319	L	85.7	Confident	77	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	113.3	165.3	177	62	0	0	0	107.9	L22 Y42 F48 L311 V313 L362	L22-L319 HydrophobicContact CD1-CD1 4.27Å; Y42-L319 HydrophobicContact CD1-CD2 4.27Å; Y42-L319 HydrophobicContact CD2-CD2 4.04Å; Y42-L319 HydrophobicContact CE1-CD2 4.32Å; Y42-L319 HydrophobicContact CE2-CD2 4.12Å; Y42-L319 HydrophobicContact CG-CD2 4.15Å; F48-L319 HydrophobicContact CD1-CD2 4.42Å; L311-L319 HydrophobicContact CB-CD1 4.27Å; L311-L319 HydrophobicContact CD2-CD1 4.36Å; V313-L319 HydrophobicContact CG1-CB 4.39Å; V313-L319 HydrophobicContact CG1-CD1 3.34Å; V313-L319 HydrophobicContact CG1-CG 4.46Å; L319-L362 HydrophobicContact CD2-CD1 4.06Å; L319-L362 HydrophobicContact CG-CD1 4.43Å; L319-L362 PolarHBondContact O-N 2.9Å
320	L	85.5	Confident	74.9	Confident	9 Å²	9	34 Å²	34	5%	0.047	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.3	179.6	-57.5	177.5	0	0	0	109.4	L311 A312 C318 M322 V359 A361	L311-L320 CarbonylContact C-O 3.53Å; L311-L320 VanDerWaalsContact CA-O 3.26Å; L311-L320 WeakPolarHBondContact CA-O 3.38Å; A312-L320 HydrophobicContact CB-CB 4.28Å; A312-L320 PolarHBondContact N-O 3.15Å; A312-L320 PolarHBondContact O-N 3.06Å; C318-L320 HydrophobicContact CB-CD2 4.31Å; L320-M322 HydrophobicContact CB-CE 4.34Å; L320-V359 HydrophobicContact CB-CG1 4.35Å; L320-V359 HydrophobicContact CD2-CG1 4.13Å; L320-A361 HydrophobicContact CD2-CB 3.51Å
321	V	84	Confident	72.6	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121.9	169.8	-169	0	0	0	0	107.4	F48 R309 L311 V345 A360 L362	F48-V321 HydrophobicContact CD2-CG2 4.48Å; F48-V321 HydrophobicContact CE1-CG2 4.41Å; F48-V321 HydrophobicContact CE2-CG1 4.4Å; F48-V321 HydrophobicContact CE2-CG2 3.94Å; F48-V321 HydrophobicContact CZ-CG1 4.25Å; F48-V321 HydrophobicContact CZ-CG2 3.9Å; R309-V321 HydrophobicContact CB-CG1 4.28Å; R309-V321 HydrophobicContact CG-CG1 4.4Å; L311-V321 HydrophobicContact CD2-CB 4.28Å; L311-V321 HydrophobicContact CD2-CG1 4.19Å; L311-V321 HydrophobicContact CD2-CG2 3.74Å; V321-V345 HydrophobicContact CB-CG2 4.01Å; V321-V345 HydrophobicContact CG1-CG1 4.42Å; V321-V345 HydrophobicContact CG1-CG2 3.92Å; V321-V345 WeakPolarHBondContact O-CG1 3.37Å; V321-A360 HydrophobicContact CB-CB 4.42Å; V321-A360 PolarHBondContact N-O 2.95Å; V321-A360 PolarHBondContact O-N 3.44Å; V321-A360 VanDerWaalsContact O-N 3.1Å; V321-L362 HydrophobicContact CG2-CD1 4.44Å
322	M	81.2	Confident	70.1	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.8	-175.5	-67	171.6	-68.4	0	0	110.8	I253 I274 R309 L310 A312 L320 V359	I253-M322 HydrophobicContact CD1-CE 3.26Å; I253-M322 HydrophobicContact CD1-SD 3.98Å; I274-M322 HydrophobicContact CG2-CB 4.37Å; I274-M322 HydrophobicContact CG2-SD 3.98Å; R309-M322 CarbonylContact C-O 3.5Å; R309-M322 VanDerWaalsContact CA-O 3.27Å; R309-M322 WeakPolarHBondContact CA-O 3.47Å; L310-M322 PolarHBondContact N-O 2.84Å; L310-M322 PolarHBondContact O-N 3.12Å; A312-M322 HydrophobicContact CB-CE 3.38Å; L320-M322 HydrophobicContact CB-CE 4.34Å; M322-V359 HydrophobicContact CG-CB 4.45Å; M322-V359 HydrophobicContact CG-CG1 3.83Å; M322-V359 HydrophobicContact CG-CG2 4.09Å
323	S	75.9	Confident	67.7	Low	24 Å²	24	45.6 Å²	45.6	17%	0.168	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.3	167.3	177.2	0	0	0	0	108.2
324	C	75.9	Confident	65.3	Low	8 Å²	8	47.3 Å²	47.3	5%	0.054	27%	0.27	C	S	.	.			trans	-121.9	3	179.4	59.2	0	0	0	0	114	F245 R255 I274 L310	F245-C324 HydrophobicContact CE1-CB 3.69Å; F245-C324 HydrophobicContact CZ-CB 3.59Å; R255-C324 PolarHBondContact NH1-O 2.72Å; I274-C324 HydrophobicContact CD1-CB 3.91Å; L310-C324 HydrophobicContact CB-CB 4.05Å
325	E	69.4	Low	63	Low	44 Å²	44	50.6 Å²	50.6	21%	0.206	30%	0.297	C	S	.	.	S	Bend	trans	-75.4	150.5	174	-72.9	176	-162.1	0	0	111.8	H291 P307 H308	H291-E325 IonicContact CE1-OE1 3.02Å; H291-E325 PolarHBondContact CE1-OE1 2.82Å; H291-E325 IonicContact NE2-OE1 3.96Å; P307-E325 WeakPolarHBondContact CA-OE1 3.22Å; H308-E325 HydrophobicContact CB-CG 4.14Å; H308-E325 IonicContact CD2-OE1 3.44Å; H308-E325 PolarHBondContact CD2-OE1 3.43Å; H308-E325 IonicContact CG-OE1 3.48Å; H308-E325 PolarHBondContact N-OE1 2.72Å
326	S	56.1	Low	60.6	Low	55 Å²	55	56 Å²	56	39%	0.385	33%	0.325	S	S	.	.			trans	-78.1	125.1	168.8	-175.7	0	0	0	0	108.1	E328 K329	S326-E328 PolarHBondContact O-N 2.87Å; S326-K329 PolarHBondContact O-N 3.28Å
327	I	48.8	Very low	58.8	Low	83 Å²	83	54.6 Å²	54.6	43%	0.426	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.7	-176.9	-63	167.5	0	0	0	112	K329	I327-K329 PolarHBondContact O-N 2.92Å; I327-K329 VanDerWaalsContact O-N 3.14Å
328	E	41.9	Very low	56.7	Low	180 Å²	180	58 Å²	58	84%	0.841	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.4	-176.8	-65.5	-175.4	162.6	0	0	114.2	S326 G330	S326-E328 PolarHBondContact O-N 2.87Å; E328-G330 PolarHBondContact O-N 3.3Å; E328-G330 VanDerWaalsContact O-N 3.1Å
329	K	41.5	Very low	55.2	Low	187 Å²	187	61.6 Å²	61.6	81%	0.813	35%	0.346	S	S	*	.	S	Bend	trans	-87.8	73.7	175.8	-69.5	-173.8	-179.8	178.5	0	111.4	S326 I327	S326-K329 PolarHBondContact O-N 3.28Å; I327-K329 PolarHBondContact O-N 2.92Å; I327-K329 VanDerWaalsContact O-N 3.14Å
330	G	40.6	Very low	53.3	Low	28 Å²	28	62.7 Å²	62.7	29%	0.289	35%	0.354	S	S	.	.			trans	93.2	86.8	156.5	0	0	0	0	0	116	E328 G332 V333 F334	E328-G330 PolarHBondContact O-N 3.3Å; E328-G330 VanDerWaalsContact O-N 3.1Å; G330-G332 PolarHBondContact O-N 3.49Å; G330-V333 PolarHBondContact O-N 3.11Å; G330-F334 WeakPolarHBondContact O-CD2 3.05Å
331	V	41.4	Very low	51.4	Low	127 Å²	127	63.9 Å²	63.9	77%	0.77	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-25.9	165.4	-179.2	0	0	0	0	112.6
332	G	40.4	Very low	49.6	Very low	56 Å²	56	64 Å²	64	58%	0.577	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-19.7	176.7	0	0	0	0	0	115.9	G330	G330-G332 PolarHBondContact O-N 3.49Å
333	V	41.2	Very low	48	Very low	61 Å²	61	64.2 Å²	64.2	37%	0.37	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-31.4	-174.4	-174.8	0	0	0	0	111.3	F305 G330 A335 L336	F305-V333 HydrophobicContact CD1-CG1 4.02Å; F305-V333 HydrophobicContact CD2-CG1 3.54Å; F305-V333 HydrophobicContact CE1-CG1 3.92Å; F305-V333 HydrophobicContact CE2-CG1 3.37Å; F305-V333 HydrophobicContact CG-CG1 3.86Å; F305-V333 HydrophobicContact CZ-CG1 3.61Å; G330-V333 PolarHBondContact O-N 3.11Å; V333-A335 PolarHBondContact O-N 3.27Å; V333-L336 PolarHBondContact O-N 3.49Å
334	F	41.2	Very low	46.5	Very low	40 Å²	40	64.9 Å²	64.9	18%	0.175	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-67.7	-19	176.7	-66.3	-77	0	0	0	114.1	G330 L336	G330-F334 WeakPolarHBondContact O-CD2 3.05Å; F334-L336 VanDerWaalsContact C-N 3.33Å; F334-L336 PolarHBondContact O-N 3.07Å
335	A	42.6	Very low	45.2	Very low	71 Å²	71	64.6 Å²	64.6	59%	0.587	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-72.7	-22.1	-179	0	0	0	0	0	113.7	V333	V333-A335 PolarHBondContact O-N 3.27Å
336	L	37.3	Very low	43.9	Very low	128 Å²	128	63 Å²	63	67%	0.67	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-98.3	-6.2	-179.2	-95.4	106.2	0	0	0	114.4	V333 F334 E338	V333-L336 PolarHBondContact O-N 3.49Å; F334-L336 VanDerWaalsContact C-N 3.33Å; F334-L336 PolarHBondContact O-N 3.07Å; L336-E338 PolarHBondContact O-N 3.23Å
337	A	40.3	Very low	43.4	Very low	8 Å²	8	62.1 Å²	62.1	7%	0.066	35%	0.348	C	S	.	.			trans	-78.2	93.9	176.9	0	0	0	0	0	107.7	F305 V343	F305-A337 HydrophobicContact CD1-CB 4.14Å; A337-V343 HydrophobicContact CB-CG1 3.27Å; A337-V343 WeakPolarHBondContact O-CG1 3.47Å
338	E	39.1	Very low	43	Very low	79 Å²	79	60.4 Å²	60.4	37%	0.369	34%	0.342	S	S	.	.			trans	-127.3	133.6	-173.1	-88.2	-175.7	-178.4	0	0	111.4	R304 L336	R304-E338 VanDerWaalsContact NH1-CB 3.26Å; R304-E338 PolarHBondContact NH1-O 2.93Å; R304-E338 IonicContact NH1-OE2 3.2Å; R304-E338 PolarHBondContact NH1-OE2 2.8Å; L336-E338 PolarHBondContact O-N 3.23Å
339	K	48.8	Very low	43	Very low	97 Å²	97	58.2 Å²	58.2	42%	0.422	33%	0.332	S	S	.	.	S	Bend	trans	111.1	13.2	153	-65.5	166.9	-167.9	-172.8	0	121.5	V683 E774	K339-V683 HydrophobicContact CD-CG2 3.98Å; K339-E774 WeakPolarHBondContact CE-OE1 3.43Å; K339-E774 IonicContact NZ-OE1 3.44Å; K339-E774 PolarHBondContact NZ-OE1 2.82Å
340	T	45.3	Very low	43	Very low	27 Å²	27	53.9 Å²	53.9	17%	0.166	32%	0.318	C	S	.	.	S	Bend	trans	-134.8	158.1	165.2	63.4	0	0	0	0	112.3	A342 V343 N344	T340-A342 PolarHBondContact O-N 2.88Å; T340-A342 VanDerWaalsContact O-N 3.13Å; T340-V343 PolarHBondContact O-N 3.47Å; T340-V343 WeakPolarHBondContact OG1-CG2 3.28Å; T340-N344 PolarHBondContact O-N 2.82Å
341	L	46.7	Very low	43.3	Very low	34 Å²	34	62 Å²	62	18%	0.178	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.2	172.3	-73.4	167	0	0	0	110.6	N47 V343 N344 L362 V782	N47-L341 VanDerWaalsContact ND2-CD1 3.29Å; N47-L341 WeakPolarHBondContact ND2-CD1 3.48Å; N47-L341 WeakPolarHBondContact OD1-CB 3.03Å; N47-L341 WeakPolarHBondContact OD1-CG 3.18Å; N47-L341 PolarHBondContact OD1-N 2.97Å; N47-L341 VanDerWaalsContact OD1-N 3.1Å; L341-V343 PolarHBondContact O-N 3.06Å; L341-N344 PolarHBondContact O-N 3.12Å; L341-L362 HydrophobicContact CD1-CD2 4.11Å; L341-V782 HydrophobicContact CD1-CG2 4Å; L341-V782 HydrophobicContact CD2-CG2 3.63Å; L341-V782 HydrophobicContact CG-CG2 3.88Å
342	A	46.4	Very low	43.3	Very low	5 Å²	5	65 Å²	65	4%	0.041	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.2	179.6	0	0	0	0	0	113	F48 R309 T340	F48-A342 HydrophobicContact CE2-CB 3.98Å; R309-A342 VanDerWaalsContact CD-O 3.27Å; R309-A342 WeakPolarHBondContact CD-O 3.5Å; R309-A342 PolarHBondContact NH1-O 2.92Å; T340-A342 PolarHBondContact O-N 2.88Å; T340-A342 VanDerWaalsContact O-N 3.13Å
343	V	46.4	Very low	43.2	Very low	7 Å²	7	66.6 Å²	66.6	4%	0.042	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-24.4	176.9	177.6	0	0	0	0	113	E306 A337 T340 L341 V345	E306-V343 HydrophobicContact CG-CG2 4.46Å; A337-V343 HydrophobicContact CB-CG1 3.27Å; A337-V343 WeakPolarHBondContact O-CG1 3.47Å; T340-V343 PolarHBondContact O-N 3.47Å; T340-V343 WeakPolarHBondContact OG1-CG2 3.28Å; L341-V343 PolarHBondContact O-N 3.06Å; V343-V345 PolarHBondContact O-N 3.19Å
344	N	44.9	Very low	43	Very low	37 Å²	37	66.3 Å²	66.3	20%	0.198	35%	0.352	C	S	.	.	S	Bend	trans	-63.3	-12.9	174.4	-72.5	-23.9	0	0	0	113	T340 L341 Y358	T340-N344 PolarHBondContact O-N 2.82Å; L341-N344 PolarHBondContact O-N 3.12Å; N344-Y358 HydrophobicContact CB-CD1 4.43Å; N344-Y358 HydrophobicContact CB-CE1 4.44Å; N344-Y358 VanDerWaalsContact O-CB 3.3Å; N344-Y358 WeakPolarHBondContact O-CB 3.03Å; N344-Y358 WeakPolarHBondContact O-CD1 3.47Å
345	V	48.8	Very low	42.8	Very low	3 Å²	3	71.6 Å²	71.6	2%	0.018	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	122.8	177	180	0	0	0	0	110.5	V321 V343 Y358 A360	V321-V345 HydrophobicContact CB-CG2 4.01Å; V321-V345 HydrophobicContact CG1-CG1 4.42Å; V321-V345 HydrophobicContact CG1-CG2 3.92Å; V321-V345 WeakPolarHBondContact O-CG1 3.37Å; V343-V345 PolarHBondContact O-N 3.19Å; V345-Y358 CarbonylContact C-O 3.56Å; V345-Y358 VanDerWaalsContact CA-O 3.23Å; V345-Y358 WeakPolarHBondContact CA-O 3.49Å; V345-Y358 WeakPolarHBondContact CG1-O 3.46Å; V345-A360 HydrophobicContact CG2-CB 3.28Å
346	G	41.9	Very low	42.7	Very low	9 Å²	9	73.1 Å²	73.1	9%	0.093	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-14.1	179.8	0	0	0	0	0	115.7	P348 Y358	G346-P348 WeakPolarHBondContact O-CD 3.41Å; G346-Y358 PolarHBondContact N-O 3.39Å
347	I	46	Very low	43	Very low	38 Å²	38	68.3 Å²	68.3	20%	0.195	36%	0.361	C	S	.	.			trans	-80.5	119.6	176.6	-55.9	174.1	0	0	0	109.2	Q349 Y358	I347-Q349 PolarHBondContact O-N 3.03Å; I347-Y358 VanDerWaalsContact O-CB 3.27Å; I347-Y358 WeakPolarHBondContact O-CB 3.3Å
348	P	39.3	Very low	43.3	Very low	46 Å²	46	72 Å²	72	30%	0.299	37%	0.374	S	S	.	.			trans	-62.2	131.3	174.8	24	-31	0	0	0	110.2	G346 D350	G346-P348 WeakPolarHBondContact O-CD 3.41Å; P348-D350 VanDerWaalsContact C-N 3.27Å
349	Q	42.7	Very low	43.9	Very low	135 Å²	135	70.1 Å²	70.1	63%	0.631	37%	0.368	S	S	*	.	S	Bend	trans	-68.6	-31.7	174.8	-72.5	-158.1	-12.2	0	0	111.8	I347 Y358	I347-Q349 PolarHBondContact O-N 3.03Å; Q349-Y358 HydrophobicContact CG-CD2 4.04Å; Q349-Y358 HydrophobicContact CG-CE2 4.47Å
350	D	42.2	Very low	44.3	Very low	96 Å²	96	65.8 Å²	65.8	51%	0.513	35%	0.35	S	S	.	.	S	Bend	trans	-113.7	123.7	174.3	-85.1	-39.9	0	0	0	109.5	P348 Q352 I353	P348-D350 VanDerWaalsContact C-N 3.27Å; D350-Q352 PolarHBondContact O-N 3.33Å; D350-I353 HydrophobicContact CB-CB 4.33Å; D350-I353 HydrophobicContact CB-CD1 4.34Å; D350-I353 HydrophobicContact CB-CG1 4.14Å; D350-I353 PolarHBondContact O-N 3.43Å
351	E	45.9	Very low	44.7	Very low	197 Å²	197	66.1 Å²	66.1	92%	0.921	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.1	170	-68.7	175.7	179.8	0	0	112.3
352	Q	42.3	Very low	45.1	Very low	190 Å²	190	65.4 Å²	65.4	89%	0.888	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-16.9	178.2	-63.7	-173.9	-5.1	0	0	114.2	D350	D350-Q352 PolarHBondContact O-N 3.33Å
353	I	38	Very low	44.9	Very low	90 Å²	90	67.3 Å²	67.3	46%	0.462	36%	0.364	S	S	.	.			trans	-119.2	69.8	-178.9	-49.7	174.9	0	0	0	107.9	D350 D355 N356	D350-I353 HydrophobicContact CB-CB 4.33Å; D350-I353 HydrophobicContact CB-CD1 4.34Å; D350-I353 HydrophobicContact CB-CG1 4.14Å; D350-I353 PolarHBondContact O-N 3.43Å; I353-D355 VanDerWaalsContact C-N 3.26Å; I353-D355 PolarHBondContact O-N 3.28Å; I353-N356 HydrophobicContact CG2-CB 4.46Å
354	A	37.7	Very low	44.9	Very low	55 Å²	55	72 Å²	72	46%	0.455	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.4	-176.8	0	0	0	0	0	113.9	N356	A354-N356 PolarHBondContact O-N 2.95Å
355	D	37.1	Very low	45.2	Very low	151 Å²	151	73.9 Å²	73.9	81%	0.807	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-18	-170.2	-76	-11	0	0	0	115.1	I353	I353-D355 VanDerWaalsContact C-N 3.26Å; I353-D355 PolarHBondContact O-N 3.28Å
356	N	38.9	Very low	45.3	Very low	104 Å²	104	74.8 Å²	74.8	56%	0.556	39%	0.394	S	S	*	.	S	Bend	trans	-108.5	83.7	-178	-69.9	-24.3	0	0	0	109.7	I353 A354 Y358	I353-N356 HydrophobicContact CG2-CB 4.46Å; A354-N356 PolarHBondContact O-N 2.95Å; N356-Y358 PolarHBondContact O-N 3.44Å
357	G	45.2	Very low	45.8	Very low	26 Å²	26	76.1 Å²	76.1	27%	0.268	40%	0.404	S	S	.	.			trans	-50.5	137.3	167.2	0	0	0	0	0	110.4	V359	G357-V359 PolarHBondContact O-N 2.79Å; G357-V359 VanDerWaalsContact O-N 3.17Å
358	Y	45.6	Very low	46	Very low	86 Å²	86	74.7 Å²	74.7	34%	0.337	40%	0.398	S	S	.	.			trans	-56.3	124.1	-179	-176.1	-98.5	0	0	0	110.5	N344 V345 G346 I347 Q349 N356 A360	N344-Y358 HydrophobicContact CB-CD1 4.43Å; N344-Y358 HydrophobicContact CB-CE1 4.44Å; N344-Y358 VanDerWaalsContact O-CB 3.3Å; N344-Y358 WeakPolarHBondContact O-CB 3.03Å; N344-Y358 WeakPolarHBondContact O-CD1 3.47Å; V345-Y358 CarbonylContact C-O 3.56Å; V345-Y358 VanDerWaalsContact CA-O 3.23Å; V345-Y358 WeakPolarHBondContact CA-O 3.49Å; V345-Y358 WeakPolarHBondContact CG1-O 3.46Å; G346-Y358 PolarHBondContact N-O 3.39Å; I347-Y358 VanDerWaalsContact O-CB 3.27Å; I347-Y358 WeakPolarHBondContact O-CB 3.3Å; Q349-Y358 HydrophobicContact CG-CD2 4.04Å; Q349-Y358 HydrophobicContact CG-CE2 4.47Å; N356-Y358 PolarHBondContact O-N 3.44Å; Y358-A360 HydrophobicContact CD1-CB 4.4Å; Y358-A360 HydrophobicContact CE1-CB 4.05Å
359	V	50.8	Low	46.5	Very low	40 Å²	40	73.2 Å²	73.2	24%	0.242	39%	0.388	C	S	.	.			trans	-92	111.1	171.2	-179.6	0	0	0	0	106.5	L320 M322 G357 A361	L320-V359 HydrophobicContact CB-CG1 4.35Å; L320-V359 HydrophobicContact CD2-CG1 4.13Å; M322-V359 HydrophobicContact CG-CB 4.45Å; M322-V359 HydrophobicContact CG-CG1 3.83Å; M322-V359 HydrophobicContact CG-CG2 4.09Å; G357-V359 PolarHBondContact O-N 2.79Å; G357-V359 VanDerWaalsContact O-N 3.17Å; V359-A361 VanDerWaalsContact C-N 3.27Å; V359-A361 PolarHBondContact O-N 3.31Å
360	A	58.5	Low	47.3	Very low	5 Å²	5	67.1 Å²	67.1	4%	0.041	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	91.9	164.3	0	0	0	0	0	106.5	V321 V345 Y358 L362	V321-A360 HydrophobicContact CB-CB 4.42Å; V321-A360 PolarHBondContact N-O 2.95Å; V321-A360 PolarHBondContact O-N 3.44Å; V321-A360 VanDerWaalsContact O-N 3.1Å; V345-A360 HydrophobicContact CG2-CB 3.28Å; Y358-A360 HydrophobicContact CD1-CB 4.4Å; Y358-A360 HydrophobicContact CE1-CB 4.05Å; A360-L362 PolarHBondContact O-N 2.82Å
361	A	53.6	Low	48.1	Very low	34 Å²	34	63 Å²	63	28%	0.281	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	127.7	150.4	0	0	0	0	0	105.7	L320 V359 P363	L320-A361 HydrophobicContact CD2-CB 3.51Å; V359-A361 VanDerWaalsContact C-N 3.27Å; V359-A361 PolarHBondContact O-N 3.31Å; A361-P363 VanDerWaalsContact C-CD 3.42Å; A361-P363 VanDerWaalsContact C-N 3.28Å; A361-P363 HydrophobicContact CB-CB 4.38Å; A361-P363 HydrophobicContact CB-CG 3.99Å; A361-P363 WeakPolarHBondContact O-CD 3.26Å; A361-P363 WeakPolarHBondContact O-CG 3.18Å
362	L	55.6	Low	48.9	Very low	20 Å²	20	55.5 Å²	55.5	11%	0.105	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	90.2	154.4	-68.3	169.8	0	0	0	104.5	F48 L319 V321 L341 A360 V369	F48-L362 HydrophobicContact CB-CD1 3.42Å; F48-L362 VanDerWaalsContact CB-CD1 3.42Å; F48-L362 HydrophobicContact CD1-CD1 4.28Å; F48-L362 HydrophobicContact CD2-CD1 4.07Å; F48-L362 HydrophobicContact CG-CD1 3.68Å; L319-L362 HydrophobicContact CD2-CD1 4.06Å; L319-L362 HydrophobicContact CG-CD1 4.43Å; L319-L362 PolarHBondContact O-N 2.9Å; V321-L362 HydrophobicContact CG2-CD1 4.44Å; L341-L362 HydrophobicContact CD1-CD2 4.11Å; A360-L362 PolarHBondContact O-N 2.82Å; L362-V369 HydrophobicContact CD2-CG2 4.3Å
363	P	42.2	Very low	50.4	Low	44 Å²	44	47.5 Å²	47.5	29%	0.286	27%	0.271	S	S	.	.			trans	-87.6	138	-170	3.1	21.1	0	0	0	105.5	A361 P366	A361-P363 VanDerWaalsContact C-CD 3.42Å; A361-P363 VanDerWaalsContact C-N 3.28Å; A361-P363 HydrophobicContact CB-CB 4.38Å; A361-P363 HydrophobicContact CB-CG 3.99Å; A361-P363 WeakPolarHBondContact O-CD 3.26Å; A361-P363 WeakPolarHBondContact O-CG 3.18Å; P363-P366 VanDerWaalsContact O-CD 3.31Å; P363-P366 WeakPolarHBondContact O-CD 3.28Å
364	F	45.6	Very low	52.2	Low	105 Å²	105	44.3 Å²	44.3	46%	0.461	26%	0.256	S	S	.	.	S	Bend	trans	66.3	-178.6	162.4	-70.1	-98.9	0	0	0	114.2	Y14 P366 I857	Y14-F364 HydrophobicContact CD1-CD1 4.25Å; Y14-F364 AromaticContact CD1-CE1 3.9Å; Y14-F364 HydrophobicContact CD1-CE1 3.9Å; Y14-F364 AromaticContact CE1-CD1 3.77Å; Y14-F364 HydrophobicContact CE1-CD1 3.77Å; Y14-F364 AromaticContact CE1-CE1 3.62Å; Y14-F364 HydrophobicContact CE1-CE1 3.62Å; F364-P366 WeakPolarHBondContact O-CD 3.44Å; F364-I857 HydrophobicContact CD1-CD1 3.36Å; F364-I857 HydrophobicContact CE1-CD1 3.36Å
365	W	51	Low	54.3	Low	78 Å²	78	43 Å²	43	30%	0.295	24%	0.244	S	C	.	.			trans	-87.2	63.5	172.5	-67.2	33.3	0	0	0	111.2	Y14 A367 H373	Y14-W365 AromaticContact CE2-CD1 3.6Å; Y14-W365 HydrophobicContact CE2-CG 4.14Å; Y14-W365 AromaticContact CE2-NE1 3.65Å; Y14-W365 AromaticContact CZ-CD1 3.98Å; W365-A367 PolarHBondContact O-N 3.4Å; W365-H373 HydrophobicContact CE3-CB 4.47Å; W365-H373 AromaticContact CH2-ND1 3.88Å; W365-H373 HydrophobicContact CZ3-CB 4.28Å; W365-H373 AromaticContact CZ3-ND1 3.78Å
366	P	51.6	Low	56.6	Low	22 Å²	22	36.5 Å²	36.5	14%	0.143	21%	0.21	C	C	.	.			trans	-70.5	129	167.7	33.5	-31	0	0	0	105.3	P363 F364 S368 V369 A370 H784	P363-P366 VanDerWaalsContact O-CD 3.31Å; P363-P366 WeakPolarHBondContact O-CD 3.28Å; F364-P366 WeakPolarHBondContact O-CD 3.44Å; P366-S368 VanDerWaalsContact CB-OG 3.31Å; P366-S368 WeakPolarHBondContact CB-OG 3.49Å; P366-S368 WeakPolarHBondContact CG-OG 3.21Å; P366-S368 PolarHBondContact O-N 2.92Å; P366-V369 HydrophobicContact CG-CB 4.34Å; P366-V369 HydrophobicContact CG-CG2 3.93Å; P366-V369 PolarHBondContact O-N 3.2Å; P366-A370 PolarHBondContact O-N 3.13Å; P366-H784 HydrophobicContact CB-CB 4.21Å
367	A	51.8	Low	59	Low	37 Å²	37	31.6 Å²	31.6	31%	0.306	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-14.4	172.1	0	0	0	0	0	112.4	W365 V369 P371 H784	W365-A367 PolarHBondContact O-N 3.4Å; A367-V369 VanDerWaalsContact C-N 3.33Å; A367-V369 PolarHBondContact O-N 3.25Å; A367-P371 VanDerWaalsContact O-CA 3.28Å; A367-P371 WeakPolarHBondContact O-CA 3.43Å; A367-P371 VanDerWaalsContact O-CB 3.26Å; A367-P371 WeakPolarHBondContact O-CB 3.39Å; A367-P371 WeakPolarHBondContact O-CD 3.1Å; A367-P371 VanDerWaalsContact O-N 3.09Å; A367-H784 HydrophobicContact CB-CB 4.27Å
368	S	49.5	Very low	61.2	Low	8 Å²	8	32.2 Å²	32.2	6%	0.056	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-28	171	64.3	0	0	0	0	115.4	P366 F783	P366-S368 VanDerWaalsContact CB-OG 3.31Å; P366-S368 WeakPolarHBondContact CB-OG 3.49Å; P366-S368 WeakPolarHBondContact CG-OG 3.21Å; P366-S368 PolarHBondContact O-N 2.92Å; S368-F783 WeakPolarHBondContact CB-O 3.39Å
369	V	49.8	Very low	63.4	Low	14 Å²	14	28.8 Å²	28.8	9%	0.085	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-28.5	-179.9	178.3	0	0	0	0	110.9	Y42 F48 I50 L362 P366 A367 P371	Y42-V369 HydrophobicContact CE1-CG1 4.41Å; F48-V369 VanDerWaalsContact O-CG1 3.27Å; F48-V369 WeakPolarHBondContact O-CG1 3.32Å; I50-V369 HydrophobicContact CG1-CG1 4.26Å; I50-V369 PolarHBondContact N-O 3.4Å; L362-V369 HydrophobicContact CD2-CG2 4.3Å; P366-V369 HydrophobicContact CG-CB 4.34Å; P366-V369 HydrophobicContact CG-CG2 3.93Å; P366-V369 PolarHBondContact O-N 3.2Å; A367-V369 VanDerWaalsContact C-N 3.33Å; A367-V369 PolarHBondContact O-N 3.25Å; V369-P371 VanDerWaalsContact C-CD 3.46Å
370	A	61.5	Low	65.2	Low	8 Å²	8	27.6 Å²	27.6	7%	0.066	16%	0.157	C	C	.	.			trans	-132.9	53.3	-173.3	0	0	0	0	0	112.8	I50 P366 S372 H373	I50-A370 HydrophobicContact CB-CB 4.38Å; I50-A370 HydrophobicContact CD1-CB 3.81Å; I50-A370 HydrophobicContact CG1-CB 4.42Å; P366-A370 PolarHBondContact O-N 3.13Å; A370-S372 PolarHBondContact O-N 2.9Å; A370-S372 VanDerWaalsContact O-N 3.13Å; A370-H373 HydrophobicContact CB-CB 4.39Å; A370-H373 VanDerWaalsContact CB-CD2 3.41Å; A370-H373 WeakPolarHBondContact CB-CD2 3.27Å; A370-H373 WeakPolarHBondContact O-CB 2.88Å; A370-H373 PolarHBondContact O-N 3.45Å
371	P	58	Low	66.6	Low	8 Å²	8	30.2 Å²	30.2	5%	0.052	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.7	-175.8	24.3	-31	0	0	0	113.6	F49 A367 V369 H373 I640	F49-P371 HydrophobicContact CD2-CG 4.29Å; F49-P371 VanDerWaalsContact CE2-CD 3.41Å; F49-P371 HydrophobicContact CE2-CG 3.27Å; F49-P371 HydrophobicContact CZ-CG 3.76Å; A367-P371 VanDerWaalsContact O-CA 3.28Å; A367-P371 WeakPolarHBondContact O-CA 3.43Å; A367-P371 VanDerWaalsContact O-CB 3.26Å; A367-P371 WeakPolarHBondContact O-CB 3.39Å; A367-P371 WeakPolarHBondContact O-CD 3.1Å; A367-P371 VanDerWaalsContact O-N 3.09Å; V369-P371 VanDerWaalsContact C-CD 3.46Å; P371-H373 VanDerWaalsContact C-N 3.25Å; P371-H373 PolarHBondContact O-N 3.35Å; P371-I640 HydrophobicContact CB-CG2 3.65Å
372	S	63.7	Low	67.9	Low	41 Å²	41	29.3 Å²	29.3	29%	0.287	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.7	170.1	50.5	0	0	0	0	112.9	A370 K453 H639	A370-S372 PolarHBondContact O-N 2.9Å; A370-S372 VanDerWaalsContact O-N 3.13Å; S372-K453 PolarHBondContact O-NZ 3.27Å; S372-H639 WeakPolarHBondContact CA-O 3.36Å
373	H	72.3	Confident	68.6	Low	22 Å²	22	31.8 Å²	31.8	10%	0.102	18%	0.181	C	C	.	.	S	Bend	trans	-64.6	157	-179.6	-78.2	-110.2	0	0	0	112	H53 W365 A370 P371 K453	H53-H373 WeakPolarHBondContact CB-NE2 3.27Å; H53-H373 AromaticContact CD2-CE1 3.35Å; H53-H373 PolarHBondContact CD2-CE1 2.95Å; H53-H373 AromaticContact CD2-NE2 3.97Å; H53-H373 AromaticContact CE1-CE1 3.78Å; H53-H373 AromaticContact CG-CE1 3.28Å; H53-H373 AromaticContact CG-NE2 3.52Å; H53-H373 AromaticContact ND1-CE1 3.56Å; H53-H373 AromaticContact ND1-NE2 3.96Å; H53-H373 AromaticContact NE2-CE1 3.68Å; W365-H373 HydrophobicContact CE3-CB 4.47Å; W365-H373 AromaticContact CH2-ND1 3.88Å; W365-H373 HydrophobicContact CZ3-CB 4.28Å; W365-H373 AromaticContact CZ3-ND1 3.78Å; A370-H373 HydrophobicContact CB-CB 4.39Å; A370-H373 VanDerWaalsContact CB-CD2 3.41Å; A370-H373 WeakPolarHBondContact CB-CD2 3.27Å; A370-H373 WeakPolarHBondContact O-CB 2.88Å; A370-H373 PolarHBondContact O-N 3.45Å; P371-H373 VanDerWaalsContact C-N 3.25Å; P371-H373 PolarHBondContact O-N 3.35Å; H373-K453 PolarHBondContact O-NZ 3.34Å
374	P	75.6	Confident	69.6	Low	22 Å²	22	36 Å²	36	14%	0.143	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-61.1	141.6	171.4	22.5	-30.9	0	0	0	112	H405 I452 K453	P374-H405 WeakPolarHBondContact CB-CE1 3.31Å; P374-H405 WeakPolarHBondContact CB-ND1 3.49Å; P374-I452 WeakPolarHBondContact CD-O 3.27Å; P374-I452 WeakPolarHBondContact CG-O 3.32Å; P374-K453 HydrophobicContact CB-CD 4.19Å
375	S	83.5	Confident	69.9	Low	29 Å²	29	33.7 Å²	33.7	20%	0.203	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-64.2	141.5	168.3	57.8	0	0	0	0	109.9	G377 Y378	S375-G377 PolarHBondContact O-N 3.16Å; S375-G377 PolarHBondContact OG-O 2.99Å; S375-G377 VanDerWaalsContact OG-O 3.09Å; S375-Y378 VanDerWaalsContact OG-CE1 3.22Å; S375-Y378 WeakPolarHBondContact OG-CE1 3.22Å; S375-Y378 VanDerWaalsContact OG-CE2 3.27Å; S375-Y378 WeakPolarHBondContact OG-CE2 3.47Å; S375-Y378 PolarHBondContact OG-OH 2.96Å
376	P	84.8	Confident	69.7	Low	14 Å²	14	34.1 Å²	34.1	9%	0.091	22%	0.221	C	C	.	.	S	Bend	trans	-56.3	-33.3	176.7	-23.7	27.7	0	0	0	113.5	Y12 L404 H405 I842 Q843 V855	Y12-P376 HydrophobicContact CD2-CB 4.39Å; Y12-P376 HydrophobicContact CE1-CB 4.19Å; Y12-P376 HydrophobicContact CE2-CB 3.89Å; P376-L404 CarbonylContact O-C 3.56Å; P376-L404 WeakPolarHBondContact O-CA 3.5Å; P376-H405 PolarHBondContact O-N 3.17Å; P376-I842 HydrophobicContact CG-CB 4.29Å; P376-I842 HydrophobicContact CG-CG2 3.52Å; P376-Q843 VanDerWaalsContact CD-OE1 3.27Å; P376-Q843 HydrophobicContact CG-CB 4.41Å; P376-V855 HydrophobicContact CB-CG1 4.34Å
377	G	88	Confident	69.5	Low	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.4	178.4	0	0	0	0	0	112.6	S375 L403 Q843	S375-G377 PolarHBondContact O-N 3.16Å; S375-G377 PolarHBondContact OG-O 2.99Å; S375-G377 VanDerWaalsContact OG-O 3.09Å; G377-L403 CarbonylContact C-O 3.5Å; G377-L403 VanDerWaalsContact CA-O 3.27Å; G377-L403 WeakPolarHBondContact CA-O 3.04Å; G377-Q843 PolarHBondContact O-NE2 3.29Å; G377-Q843 PolarHBondContact O-OE1 3.4Å; G377-Q843 VanDerWaalsContact O-OE1 3.13Å
378	Y	91.4	Very high	68.6	Low	40 Å²	40	41.9 Å²	41.9	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.9	162.7	-63.4	-90.1	0	0	0	108.7	S375 C402 L403 S454	S375-Y378 VanDerWaalsContact OG-CE1 3.22Å; S375-Y378 WeakPolarHBondContact OG-CE1 3.22Å; S375-Y378 VanDerWaalsContact OG-CE2 3.27Å; S375-Y378 WeakPolarHBondContact OG-CE2 3.47Å; S375-Y378 PolarHBondContact OG-OH 2.96Å; Y378-C402 CarbonylContact O-C 3.45Å; Y378-C402 WeakPolarHBondContact O-CA 3.5Å; Y378-L403 HydrophobicContact CD2-CD2 4.5Å; Y378-L403 PolarHBondContact N-O 3.4Å; Y378-L403 PolarHBondContact O-N 3.1Å; Y378-S454 WeakPolarHBondContact CE2-O 3.46Å; Y378-S454 WeakPolarHBondContact CE2-OG 3.32Å; Y378-S454 PolarHBondContact OH-O 2.88Å
379	F	92.4	Very high	68.3	Low	14 Å²	14	44.4 Å²	44.4	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.1	-175.1	-58.4	-105.7	0	0	0	111.1	I9 L401 C402 L415 E845 L847 A853 V855	I9-F379 HydrophobicContact CD1-CE1 3.37Å; I9-F379 HydrophobicContact CD1-CZ 3.61Å; F379-L401 WeakPolarHBondContact CA-O 3.34Å; F379-C402 HydrophobicContact CD1-CB 3.9Å; F379-C402 HydrophobicContact CE1-CB 3.87Å; F379-C402 WeakPolarHBondContact CE1-SG 3.18Å; F379-C402 VanDerWaalsContact CZ-SG 3.56Å; F379-L415 HydrophobicContact CD1-CD1 4.21Å; F379-L415 HydrophobicContact CE1-CD1 4.26Å; F379-E845 HydrophobicContact CB-CG 4.38Å; F379-E845 WeakPolarHBondContact CB-OE1 3.42Å; F379-E845 HydrophobicContact CD2-CB 4Å; F379-E845 HydrophobicContact CD2-CG 4.41Å; F379-E845 WeakPolarHBondContact CD2-OE2 3.39Å; F379-E845 HydrophobicContact CE2-CB 4.4Å; F379-E845 HydrophobicContact CG-CB 4.36Å; F379-L847 HydrophobicContact CB-CD2 3.73Å; F379-L847 HydrophobicContact CD1-CD2 3.94Å; F379-L847 HydrophobicContact CG-CD2 4.13Å; F379-A853 HydrophobicContact CD1-CB 3.76Å; F379-A853 HydrophobicContact CE1-CB 3.36Å; F379-A853 HydrophobicContact CZ-CB 3.83Å; F379-V855 HydrophobicContact CE2-CG2 4.15Å; F379-V855 HydrophobicContact CZ-CG2 3.68Å
380	V	89.6	Confident	68.1	Low	14 Å²	14	45.7 Å²	45.7	9%	0.085	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.9	177.3	170.6	0	0	0	0	108.9	L382 H400 L401 L456 P458	V380-L382 HydrophobicContact CG1-CD2 3.98Å; V380-H400 WeakPolarHBondContact O-CA 3.2Å; V380-L401 PolarHBondContact N-O 3.48Å; V380-L401 PolarHBondContact O-N 2.93Å; V380-L456 HydrophobicContact CB-CD2 3.91Å; V380-L456 HydrophobicContact CG2-CB 4.23Å; V380-L456 HydrophobicContact CG2-CD2 3.63Å; V380-L456 HydrophobicContact CG2-CG 3.8Å; V380-P458 WeakPolarHBondContact CG1-O 3.03Å
381	T	87	Confident	67.1	Low	61 Å²	61	46.3 Å²	46.3	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.3	172	-60.7	0	0	0	0	109.1	H400 L847	T381-H400 PolarHBondContact OG1-ND1 2.96Å; T381-L847 PolarHBondContact OG1-O 3.26Å; T381-L847 VanDerWaalsContact OG1-O 3.13Å
382	L	81.5	Confident	66.2	Low	14 Å²	14	46.3 Å²	46.3	7%	0.073	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-77.7	144.2	-177.9	-61.7	175.7	0	0	0	112.3	V380 F391 R399 L401	V380-L382 HydrophobicContact CG1-CD2 3.98Å; L382-F391 HydrophobicContact CD1-CB 4.02Å; L382-F391 HydrophobicContact CD1-CG 4.39Å; L382-R399 PolarHBondContact N-O 3.32Å; L382-L401 HydrophobicContact CD1-CD1 4.03Å; L382-L401 HydrophobicContact CD1-CG 4.37Å; L382-L401 HydrophobicContact CG-CD1 4.49Å
383	P	70.1	Confident	65.1	Low	72 Å²	72	47.6 Å²	47.6	47%	0.468	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-66.2	154.6	178.3	0.1	6.1	0	0	0	113.5	G385	P383-G385 PolarHBondContact O-N 2.86Å
384	I	62	Low	63.7	Low	132 Å²	132	52.2 Å²	52.2	68%	0.677	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	122.6	174.4	-49.9	-173.5	0	0	0	109.1	S386 R399	I384-S386 VanDerWaalsContact C-N 3.26Å; I384-S386 PolarHBondContact O-N 2.9Å; I384-R399 VanDerWaalsContact CG1-NH1 3.32Å
385	G	52.8	Low	62.4	Low	58 Å²	58	56.5 Å²	56.5	60%	0.598	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-11	174.1	0	0	0	0	0	116.4	P383 V387	P383-G385 PolarHBondContact O-N 2.86Å; G385-V387 PolarHBondContact O-N 2.94Å
386	S	45.9	Very low	60.9	Low	87 Å²	87	56.3 Å²	56.3	61%	0.608	37%	0.368	S	S	*	.			trans	-68.2	15.2	179.6	-170.4	0	0	0	0	114.8	I384	I384-S386 VanDerWaalsContact C-N 3.26Å; I384-S386 PolarHBondContact O-N 2.9Å
387	V	47.5	Very low	59.6	Low	24 Å²	24	55.9 Å²	55.9	15%	0.145	37%	0.366	C	S	.	.			trans	-128.8	82.9	-164.1	-162.8	0	0	0	0	108.4	G385 G389 T390 F391	G385-V387 PolarHBondContact O-N 2.94Å; V387-G389 PolarHBondContact O-N 2.91Å; V387-T390 WeakPolarHBondContact CG1-OG1 3.32Å; V387-F391 HydrophobicContact CG1-CB 4.19Å
388	H	34.8	Very low	58.7	Low	198 Å²	198	56.1 Å²	56.1	92%	0.917	37%	0.368	S	S	*	.	S	Bend	trans	-56.9	90.4	163.2	-94.4	-75.7	0	0	0	108.6	T390	H388-T390 PolarHBondContact O-OG1 2.76Å
389	G	41.3	Very low	58.1	Low	60 Å²	60	58.3 Å²	58.3	62%	0.619	38%	0.376	S	S	*	.	S	Bend	trans	87.8	5.1	165	0	0	0	0	0	119.2	V387	V387-G389 PolarHBondContact O-N 2.91Å
390	T	46.4	Very low	57.9	Low	42 Å²	42	58.2 Å²	58.2	26%	0.258	38%	0.376	S	S	.	.	S	Bend	trans	-134.7	-9.2	-154	44.2	0	0	0	0	122.6	V387 H388 V478 A479 F480	V387-T390 WeakPolarHBondContact CG1-OG1 3.32Å; H388-T390 PolarHBondContact O-OG1 2.76Å; T390-V478 WeakPolarHBondContact CB-O 2.78Å; T390-V478 WeakPolarHBondContact CG2-O 3.47Å; T390-A479 HydrophobicContact CG2-CB 3.69Å; T390-F480 WeakPolarHBondContact O-CD2 3.31Å; T390-F480 WeakPolarHBondContact O-CE2 3.49Å
391	F	41.3	Very low	58	Low	20 Å²	20	57.6 Å²	57.6	9%	0.088	37%	0.372	C	S	.	.	S	Bend	trans	-169.4	-24.7	174.5	-97.6	-76.4	0	0	0	115.5	L382 V387 L401 R414 V440 V478 F480	L382-F391 HydrophobicContact CD1-CB 4.02Å; L382-F391 HydrophobicContact CD1-CG 4.39Å; V387-F391 HydrophobicContact CG1-CB 4.19Å; F391-L401 HydrophobicContact CD1-CD2 4.18Å; F391-L401 HydrophobicContact CE1-CD2 3.57Å; F391-L401 HydrophobicContact CE2-CD1 4.37Å; F391-L401 HydrophobicContact CE2-CD2 4.35Å; F391-L401 HydrophobicContact CZ-CD1 4.45Å; F391-L401 HydrophobicContact CZ-CD2 3.67Å; F391-R414 HydrophobicContact CD1-CG 4.39Å; F391-R414 HydrophobicContact CE1-CB 4.1Å; F391-R414 HydrophobicContact CE1-CG 4.09Å; F391-V440 HydrophobicContact CE1-CG2 4.32Å; F391-V440 HydrophobicContact CZ-CG1 4.17Å; F391-V440 HydrophobicContact CZ-CG2 4.06Å; F391-V478 HydrophobicContact CD2-CB 4.21Å; F391-V478 HydrophobicContact CD2-CG1 4.22Å; F391-V478 HydrophobicContact CE2-CB 3.42Å; F391-V478 VanDerWaalsContact CE2-CB 3.42Å; F391-V478 HydrophobicContact CE2-CG1 3.33Å; F391-V478 HydrophobicContact CE2-CG2 4.06Å; F391-V478 HydrophobicContact CZ-CB 4.08Å; F391-V478 HydrophobicContact CZ-CG1 3.51Å; F391-F480 HydrophobicContact CB-CD2 4.36Å; F391-F480 HydrophobicContact CB-CE2 4.44Å; F391-F480 AromaticContact CD1-CD2 3.56Å; F391-F480 HydrophobicContact CD1-CD2 3.56Å; F391-F480 AromaticContact CD1-CE2 3Å; F391-F480 HydrophobicContact CD1-CE2 3Å; F391-F480 AromaticContact CD1-CZ 3.61Å; F391-F480 HydrophobicContact CD1-CZ 3.61Å; F391-F480 HydrophobicContact CD2-CD2 4.25Å; F391-F480 AromaticContact CD2-CE2 3.64Å; F391-F480 HydrophobicContact CD2-CE2 3.64Å; F391-F480 AromaticContact CE1-CD2 3.9Å; F391-F480 HydrophobicContact CE1-CD2 3.9Å; F391-F480 HydrophobicContact CE1-CE1 4.2Å; F391-F480 AromaticContact CE1-CE2 2.88Å; F391-F480 HydrophobicContact CE1-CE2 2.88Å; F391-F480 AromaticContact CE1-CZ 3.04Å; F391-F480 HydrophobicContact CE1-CZ 3.04Å; F391-F480 AromaticContact CE2-CE2 3.56Å; F391-F480 HydrophobicContact CE2-CE2 3.56Å; F391-F480 HydrophobicContact CE2-CZ 4.22Å; F391-F480 AromaticContact CG-CD2 3.76Å; F391-F480 HydrophobicContact CG-CD2 3.76Å; F391-F480 AromaticContact CG-CE2 3.39Å; F391-F480 HydrophobicContact CG-CE2 3.39Å; F391-F480 HydrophobicContact CG-CZ 4.39Å; F391-F480 HydrophobicContact CZ-CD2 4.39Å; F391-F480 AromaticContact CZ-CE2 3.18Å; F391-F480 HydrophobicContact CZ-CE2 3.18Å; F391-F480 AromaticContact CZ-CZ 3.41Å; F391-F480 HydrophobicContact CZ-CZ 3.41Å; F391-F480 VanDerWaalsContact CZ-CZ 3.41Å
392	G	38.3	Very low	58.3	Low	8 Å²	8	54.7 Å²	54.7	8%	0.082	35%	0.354	C	S	.	.			trans	-142.7	22.3	-161	0	0	0	0	0	118.5
393	G	40.5	Very low	58.9	Low	68 Å²	68	54 Å²	54	70%	0.701	35%	0.351	S	S	*	.	S	Bend	trans	-88.5	-9.9	-170.8	0	0	0	0	0	117.9
394	Q	43.6	Very low	60	Low	120 Å²	120	50.7 Å²	50.7	56%	0.561	33%	0.329	S	S	*	.	S	Bend	trans	-130.8	143.6	-177	-79.7	179.9	-20.1	0	0	111.5	G396 N482	Q394-G396 PolarHBondContact O-N 2.97Å; Q394-N482 PolarHBondContact OE1-ND2 2.86Å; Q394-N482 VanDerWaalsContact OE1-ND2 3.08Å
395	A	47.7	Very low	61.5	Low	112 Å²	112	44.7 Å²	44.7	93%	0.926	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	108.1	175	0	0	0	0	0	109.8
396	G	51.8	Low	63.2	Low	24 Å²	24	42.6 Å²	42.6	25%	0.247	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	123.3	6.4	173.7	0	0	0	0	0	118.2	Q394 Q417 L435	Q394-G396 PolarHBondContact O-N 2.97Å; G396-Q417 PolarHBondContact O-OE1 3.33Å; G396-L435 WeakPolarHBondContact O-CD1 3.43Å
397	A	58.6	Low	65.1	Low	6 Å²	6	40.1 Å²	40.1	5%	0.05	25%	0.254	C	S	.	.			trans	-104.4	137.1	164.3	0	0	0	0	0	113.6	Q417 L435 F487	A397-Q417 PolarHBondContact O-OE1 2.8Å; A397-L435 HydrophobicContact CB-CD1 4.4Å; A397-F487 HydrophobicContact CB-CD1 4.22Å; A397-F487 HydrophobicContact CB-CD2 4.46Å; A397-F487 HydrophobicContact CB-CE1 3.85Å; A397-F487 HydrophobicContact CB-CE2 4.08Å; A397-F487 HydrophobicContact CB-CZ 3.77Å
398	S	68.7	Low	67	Low	4 Å²	4	42.1 Å²	42.1	3%	0.028	26%	0.264	C	S	.	.			trans	-62.7	135.6	175.4	-175.7	0	0	0	0	111	H400 L415 Q417	S398-H400 PolarHBondContact OG-N 3.01Å; S398-L415 WeakPolarHBondContact CB-O 2.86Å; S398-L415 PolarHBondContact OG-O 2.58Å; S398-Q417 VanDerWaalsContact N-OE1 3.1Å
399	R	78.2	Confident	69.7	Low	86 Å²	86	34.3 Å²	34.3	33%	0.325	23%	0.227	S	C	.	.			trans	-97.1	-0.7	-179.3	-60.3	-177.8	-177.2	139.1	-4.1	113.4	L382 I384	L382-R399 PolarHBondContact N-O 3.32Å; I384-R399 VanDerWaalsContact CG1-NH1 3.32Å
400	H	88.3	Confident	72.2	Confident	13 Å²	13	31.4 Å²	31.4	6%	0.06	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.5	-175.9	-47.4	-73.4	0	0	0	110.6	V380 T381 S398 L415 L847 E851	V380-H400 WeakPolarHBondContact O-CA 3.2Å; T381-H400 PolarHBondContact OG1-ND1 2.96Å; S398-H400 PolarHBondContact OG-N 3.01Å; H400-L415 HydrophobicContact CB-CB 4.14Å; H400-L415 HydrophobicContact CB-CD1 3.79Å; H400-L415 HydrophobicContact CB-CG 4.09Å; H400-L415 PolarHBondContact O-N 2.88Å; H400-L847 HydrophobicContact CB-CD1 4.2Å; H400-E851 IonicContact CE1-OE2 3.03Å; H400-E851 PolarHBondContact CE1-OE2 3.43Å; H400-E851 IonicContact NE2-OE2 3.34Å; H400-E851 PolarHBondContact NE2-OE2 2.83Å
401	L	91	Very high	74.5	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.1	169.8	-62.3	-179.1	0	0	0	109.3	F379 V380 L382 F391 L412 R414 L456	F379-L401 WeakPolarHBondContact CA-O 3.34Å; V380-L401 PolarHBondContact N-O 3.48Å; V380-L401 PolarHBondContact O-N 2.93Å; L382-L401 HydrophobicContact CD1-CD1 4.03Å; L382-L401 HydrophobicContact CD1-CG 4.37Å; L382-L401 HydrophobicContact CG-CD1 4.49Å; F391-L401 HydrophobicContact CD1-CD2 4.18Å; F391-L401 HydrophobicContact CE1-CD2 3.57Å; F391-L401 HydrophobicContact CE2-CD1 4.37Å; F391-L401 HydrophobicContact CE2-CD2 4.35Å; F391-L401 HydrophobicContact CZ-CD1 4.45Å; F391-L401 HydrophobicContact CZ-CD2 3.67Å; L401-L412 HydrophobicContact CB-CD1 4.34Å; L401-R414 HydrophobicContact CD2-CB 4.08Å; L401-R414 HydrophobicContact CD2-CG 4.25Å; L401-L456 HydrophobicContact CB-CD2 4.11Å
402	C	93	Very high	77	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121	174.4	-178.3	0	0	0	0	108.2	Y378 F379 L404 V413 L415	Y378-C402 CarbonylContact O-C 3.45Å; Y378-C402 WeakPolarHBondContact O-CA 3.5Å; F379-C402 HydrophobicContact CD1-CB 3.9Å; F379-C402 HydrophobicContact CE1-CB 3.87Å; F379-C402 WeakPolarHBondContact CE1-SG 3.18Å; F379-C402 VanDerWaalsContact CZ-SG 3.56Å; C402-L404 VanDerWaalsContact SG-CD2 3.56Å; C402-V413 PolarHBondContact N-O 2.81Å; C402-V413 PolarHBondContact O-N 2.81Å; C402-L415 HydrophobicContact CB-CD2 3.87Å; C402-L415 HydrophobicContact CB-CG 4.33Å
403	L	94.8	Very high	79.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	104.7	169.9	179.4	66.3	0	0	0	108.2	G377 Y378 L410 L412 L456 I463	G377-L403 CarbonylContact C-O 3.5Å; G377-L403 VanDerWaalsContact CA-O 3.27Å; G377-L403 WeakPolarHBondContact CA-O 3.04Å; Y378-L403 HydrophobicContact CD2-CD2 4.5Å; Y378-L403 PolarHBondContact N-O 3.4Å; Y378-L403 PolarHBondContact O-N 3.1Å; L403-L410 HydrophobicContact CD1-CB 4.1Å; L403-L412 HydrophobicContact CB-CD1 4.31Å; L403-L412 HydrophobicContact CD1-CB 4.33Å; L403-L412 HydrophobicContact CD1-CD1 4.44Å; L403-L456 HydrophobicContact CB-CB 4.18Å; L403-L456 HydrophobicContact CB-CD2 4.34Å; L403-L456 HydrophobicContact CD2-CB 4.16Å; L403-I463 HydrophobicContact CD1-CD1 3.8Å; L403-I463 HydrophobicContact CD2-CD1 4.35Å; L403-I463 HydrophobicContact CD2-CG1 4.3Å; L403-I463 HydrophobicContact CD2-CG2 4.02Å
404	L	93.7	Very high	81.8	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.8	174.2	-63.1	-179	0	0	0	110.5	F11 Y12 P376 C402 Y406 L410 C411 V413	F11-L404 HydrophobicContact CD2-CD1 3.87Å; F11-L404 HydrophobicContact CE2-CD1 3.58Å; Y12-L404 HydrophobicContact CD2-CD1 4.42Å; Y12-L404 HydrophobicContact CD2-CD2 4.07Å; P376-L404 CarbonylContact O-C 3.56Å; P376-L404 WeakPolarHBondContact O-CA 3.5Å; C402-L404 VanDerWaalsContact SG-CD2 3.56Å; L404-Y406 HydrophobicContact CB-CE2 3.81Å; L404-L410 WeakPolarHBondContact O-CA 3.46Å; L404-C411 HydrophobicContact CB-CB 4.32Å; L404-C411 PolarHBondContact N-O 3.43Å; L404-C411 PolarHBondContact O-N 3.01Å; L404-V413 HydrophobicContact CD1-CG2 4.35Å
405	H	92.9	Very high	83.8	Confident	5 Å²	5	20.3 Å²	20.3	2%	0.023	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	-177.4	-167.1	172	0	0	0	110.9	Y12 P374 P376 L410 F451 S454	Y12-H405 WeakPolarHBondContact CE2-O 3.25Å; Y12-H405 PolarHBondContact OH-O 3.1Å; P374-H405 WeakPolarHBondContact CB-CE1 3.31Å; P374-H405 WeakPolarHBondContact CB-ND1 3.49Å; P376-H405 PolarHBondContact O-N 3.17Å; H405-L410 HydrophobicContact CB-CD2 3.99Å; H405-L410 WeakPolarHBondContact CD2-CD2 3.47Å; H405-F451 WeakPolarHBondContact NE2-CB 3.48Å; H405-S454 PolarHBondContact ND1-OG 2.87Å
406	Y	89	Confident	85.4	Confident	14 Å²	14	15.4 Å²	15.4	6%	0.055	8%	0.084	C	C	.	.			trans	-122.7	156.1	168.7	-51.3	-86.6	0	0	0	110.1	Y12 E13 L404 D408 K409 C411	Y12-Y406 WeakPolarHBondContact CA-OH 3.3Å; Y12-Y406 AromaticContact CD2-CE1 3.62Å; Y12-Y406 HydrophobicContact CD2-CE1 3.62Å; Y12-Y406 AromaticContact CD2-CZ 3.68Å; Y12-Y406 WeakPolarHBondContact CD2-OH 3.32Å; Y12-Y406 AromaticContact CE2-CD1 3.94Å; Y12-Y406 HydrophobicContact CE2-CD1 3.94Å; Y12-Y406 AromaticContact CE2-CE1 3.41Å; Y12-Y406 HydrophobicContact CE2-CE1 3.41Å; Y12-Y406 VanDerWaalsContact CE2-CE1 3.41Å; Y12-Y406 AromaticContact CE2-CZ 3.78Å; Y12-Y406 HydrophobicContact CG-CE1 4.29Å; Y12-Y406 AromaticContact CZ-CE1 3.93Å; E13-Y406 HydrophobicContact CB-CE1 3.87Å; E13-Y406 PolarHBondContact N-OH 2.88Å; E13-Y406 VanDerWaalsContact N-OH 3.15Å; E13-Y406 VanDerWaalsContact O-CE1 3.25Å; E13-Y406 WeakPolarHBondContact O-CE1 3.32Å; L404-Y406 HydrophobicContact CB-CE2 3.81Å; Y406-D408 PolarHBondContact O-N 2.82Å; Y406-D408 VanDerWaalsContact O-N 3.16Å; Y406-K409 CarbonylContact C-O 3.56Å; Y406-K409 WeakPolarHBondContact CA-O 3.22Å; Y406-K409 VanDerWaalsContact CB-O 3.28Å; Y406-K409 WeakPolarHBondContact CB-O 3.1Å; Y406-K409 HydrophobicContact CD2-CD 4.33Å; Y406-K409 HydrophobicContact CD2-CG 3.64Å; Y406-K409 HydrophobicContact CE2-CG 4.48Å; Y406-K409 HydrophobicContact CG-CG 4.01Å; Y406-K409 PolarHBondContact N-O 3.04Å; Y406-K409 PolarHBondContact O-N 3.35Å; Y406-C411 HydrophobicContact CE2-CB 4.37Å
407	P	85.3	Confident	86.5	Confident	36 Å²	36	16.1 Å²	16.1	23%	0.234	8%	0.081	C	C	.	.	S	Bend	trans	-56	-33.2	178.2	-25.8	35	0	0	0	113.8	E450 F451	P407-E450 CarbonylContact O-C 3.6Å; P407-E450 WeakPolarHBondContact O-CA 3.31Å; P407-E450 WeakPolarHBondContact O-CB 3.38Å; P407-F451 PolarHBondContact O-N 3.35Å
408	D	88	Confident	87	Confident	66 Å²	66	16.9 Å²	16.9	35%	0.353	9%	0.085	S	C	.	.	S	Bend	trans	-109.4	-8	-172.3	64.9	-28.7	0	0	0	114.6	Y406 H444 P445	Y406-D408 PolarHBondContact O-N 2.82Å; Y406-D408 VanDerWaalsContact O-N 3.16Å; D408-H444 PolarHBondContact O-ND1 2.73Å; D408-H444 VanDerWaalsContact O-ND1 3.13Å; D408-P445 WeakPolarHBondContact O-CD 3.35Å
409	K	91.9	Very high	86.8	Confident	33 Å²	33	20.2 Å²	20.2	14%	0.143	10%	0.102	C	C	.	.			trans	-156.5	151.8	178.6	65.4	-175.9	176.7	-174.7	0	112.8	E13 Y406 E442 I443	E13-K409 IonicContact OE2-NZ 3.91Å; E13-K409 PolarHBondContact OE2-NZ 3.01Å; Y406-K409 CarbonylContact C-O 3.56Å; Y406-K409 WeakPolarHBondContact CA-O 3.22Å; Y406-K409 VanDerWaalsContact CB-O 3.28Å; Y406-K409 WeakPolarHBondContact CB-O 3.1Å; Y406-K409 HydrophobicContact CD2-CD 4.33Å; Y406-K409 HydrophobicContact CD2-CG 3.64Å; Y406-K409 HydrophobicContact CE2-CG 4.48Å; Y406-K409 HydrophobicContact CG-CG 4.01Å; Y406-K409 PolarHBondContact N-O 3.04Å; Y406-K409 PolarHBondContact O-N 3.35Å; K409-E442 HydrophobicContact CB-CG 4.35Å; K409-E442 VanDerWaalsContact CD-OE1 3.25Å; K409-E442 WeakPolarHBondContact CD-OE1 3.25Å; K409-I443 CarbonylContact C-O 3.48Å; K409-I443 VanDerWaalsContact CA-O 3.29Å; K409-I443 WeakPolarHBondContact CA-O 3.41Å
410	L	94.1	Very high	85.8	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.7	164.3	-59	175.3	0	0	0	108.9	L403 L404 H405 E442 I443 F451 I463 Y465	L403-L410 HydrophobicContact CD1-CB 4.1Å; L404-L410 WeakPolarHBondContact O-CA 3.46Å; H405-L410 HydrophobicContact CB-CD2 3.99Å; H405-L410 WeakPolarHBondContact CD2-CD2 3.47Å; L410-E442 CarbonylContact O-C 3.55Å; L410-E442 WeakPolarHBondContact O-CA 3.48Å; L410-I443 HydrophobicContact CB-CB 4.26Å; L410-I443 PolarHBondContact N-O 3.15Å; L410-I443 PolarHBondContact O-N 2.97Å; L410-F451 HydrophobicContact CB-CE2 4.49Å; L410-F451 HydrophobicContact CD1-CD1 4.32Å; L410-F451 HydrophobicContact CD1-CE1 4.13Å; L410-F451 HydrophobicContact CD1-CE2 4.32Å; L410-F451 HydrophobicContact CD1-CZ 4.12Å; L410-F451 HydrophobicContact CD2-CD2 4.12Å; L410-F451 HydrophobicContact CD2-CE2 4.46Å; L410-F451 HydrophobicContact CD2-CG 4.36Å; L410-F451 HydrophobicContact CG-CD1 4.48Å; L410-F451 HydrophobicContact CG-CD2 3.83Å; L410-F451 HydrophobicContact CG-CE1 4.37Å; L410-F451 HydrophobicContact CG-CE2 3.69Å; L410-F451 HydrophobicContact CG-CG 4.22Å; L410-F451 HydrophobicContact CG-CZ 3.98Å; L410-I463 HydrophobicContact CD1-CG2 4.42Å; L410-Y465 HydrophobicContact CD1-CG 4.43Å
411	C	93.8	Very high	83.9	Confident	7 Å²	7	25.6 Å²	25.6	5%	0.047	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.6	-179.8	-61.9	0	0	0	0	110.3	L404 Y406 V413 I441	L404-C411 HydrophobicContact CB-CB 4.32Å; L404-C411 PolarHBondContact N-O 3.43Å; L404-C411 PolarHBondContact O-N 3.01Å; Y406-C411 HydrophobicContact CE2-CB 4.37Å; C411-V413 HydrophobicContact CB-CG2 4.49Å; C411-I441 WeakPolarHBondContact CA-O 3.37Å
412	L	93.8	Very high	81.7	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.8	171.7	-175	68.3	0	0	0	109.3	L401 L403 V440 I441 L456 L476	L401-L412 HydrophobicContact CB-CD1 4.34Å; L403-L412 HydrophobicContact CB-CD1 4.31Å; L403-L412 HydrophobicContact CD1-CB 4.33Å; L403-L412 HydrophobicContact CD1-CD1 4.44Å; L412-V440 HydrophobicContact CD2-CB 4.49Å; L412-V440 HydrophobicContact CD2-CG1 4.48Å; L412-V440 WeakPolarHBondContact O-CB 3.09Å; L412-V440 PolarHBondContact O-N 2.9Å; L412-I441 HydrophobicContact CB-CB 4.13Å; L412-I441 HydrophobicContact CD2-CD1 4.15Å; L412-I441 PolarHBondContact N-O 3.06Å; L412-I441 PolarHBondContact O-N 3.41Å; L412-L456 HydrophobicContact CD1-CD1 4.26Å; L412-L456 HydrophobicContact CD1-CD2 4.04Å; L412-L476 HydrophobicContact CD2-CD1 3.92Å
413	V	91.3	Very high	79.3	Confident	7 Å²	7	38.4 Å²	38.4	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.3	-176.6	-177.5	0	0	0	0	109.8	F11 C402 L404 C411 P437 L438	F11-V413 HydrophobicContact CE2-CB 4.46Å; F11-V413 HydrophobicContact CE2-CG1 4.05Å; F11-V413 HydrophobicContact CE2-CG2 4.15Å; F11-V413 HydrophobicContact CZ-CG1 3.92Å; C402-V413 PolarHBondContact N-O 2.81Å; C402-V413 PolarHBondContact O-N 2.81Å; L404-V413 HydrophobicContact CD1-CG2 4.35Å; C411-V413 HydrophobicContact CB-CG2 4.49Å; V413-P437 HydrophobicContact CG1-CB 4.18Å; V413-L438 WeakPolarHBondContact CA-O 3.43Å
414	R	87.9	Confident	76.8	Confident	5 Å²	5	47 Å²	47	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126	165	-172.4	-165.7	67.3	162.9	-1.4	108.6	F391 L401 P437 L438 V440	F391-R414 HydrophobicContact CD1-CG 4.39Å; F391-R414 HydrophobicContact CE1-CB 4.1Å; F391-R414 HydrophobicContact CE1-CG 4.09Å; L401-R414 HydrophobicContact CD2-CB 4.08Å; L401-R414 HydrophobicContact CD2-CG 4.25Å; R414-P437 CarbonylContact O-C 3.57Å; R414-P437 WeakPolarHBondContact O-CA 3.21Å; R414-L438 PolarHBondContact N-O 2.81Å; R414-L438 PolarHBondContact O-N 2.8Å; R414-V440 HydrophobicContact CB-CG2 4.2Å
415	L	87	Confident	74.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-69.8	158.5	178	-57.4	-173.9	0	0	0	111.3	H7 I9 F379 S398 H400 C402 L847	H7-L415 HydrophobicContact CB-CD1 4.22Å; I9-L415 HydrophobicContact CD1-CD2 3.84Å; I9-L415 HydrophobicContact CG1-CD2 4.19Å; F379-L415 HydrophobicContact CD1-CD1 4.21Å; F379-L415 HydrophobicContact CE1-CD1 4.26Å; S398-L415 WeakPolarHBondContact CB-O 2.86Å; S398-L415 PolarHBondContact OG-O 2.58Å; H400-L415 HydrophobicContact CB-CB 4.14Å; H400-L415 HydrophobicContact CB-CD1 3.79Å; H400-L415 HydrophobicContact CB-CG 4.09Å; H400-L415 PolarHBondContact O-N 2.88Å; C402-L415 HydrophobicContact CB-CD2 3.87Å; C402-L415 HydrophobicContact CB-CG 4.33Å; L415-L847 HydrophobicContact CD1-CD1 4.08Å
416	G	80.2	Confident	72.4	Confident	9 Å²	9	58.2 Å²	58.2	9%	0.093	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72.6	160.6	175.7	0	0	0	0	0	112.9	H7 L435	H7-G416 PolarHBondContact CE1-O 3.23Å; G416-L435 CarbonylContact C-O 3.54Å; G416-L435 WeakPolarHBondContact CA-O 3.11Å
417	Q	75.1	Confident	70.3	Confident	40 Å²	40	64.3 Å²	64.3	19%	0.187	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.7	175.8	-166.6	176.1	0.2	0	0	112	G396 A397 S398 I433 N434 L435	G396-Q417 PolarHBondContact O-OE1 3.33Å; A397-Q417 PolarHBondContact O-OE1 2.8Å; S398-Q417 VanDerWaalsContact N-OE1 3.1Å; Q417-I433 WeakPolarHBondContact O-CG2 3.27Å; Q417-N434 PolarHBondContact O-N 3.23Å; Q417-L435 PolarHBondContact N-O 3.39Å; Q417-L435 VanDerWaalsContact N-O 3.09Å
418	P	69.2	Low	68.8	Low	22 Å²	22	71 Å²	71	14%	0.143	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	153.9	173.8	29.2	-34.3	0	0	0	112.5	T420 Y431	P418-T420 PolarHBondContact O-N 2.7Å; P418-Y431 HydrophobicContact CB-CG 4.49Å
419	L	63.6	Low	67.5	Low	73 Å²	73	75.1 Å²	75.1	38%	0.382	39%	0.385	S	S	.	.			trans	-64.2	120	164.7	-102	90.8	0	0	0	110.1	S432 N434	L419-S432 PolarHBondContact N-O 3.08Å; L419-N434 WeakPolarHBondContact CA-ND2 3.43Å; L419-N434 HydrophobicContact CD1-CB 4.16Å; L419-N434 WeakPolarHBondContact CD1-OD1 3.35Å; L419-N434 WeakPolarHBondContact CG-OD1 3.42Å
420	T	57.1	Low	66.2	Low	123 Å²	123	81.3 Å²	81.3	76%	0.755	41%	0.409	S	S	*	.			trans	-84.4	-17.2	170.9	46.1	0	0	0	0	113.3	P418 G422	P418-T420 PolarHBondContact O-N 2.7Å; T420-G422 PolarHBondContact O-N 3.43Å; T420-G422 VanDerWaalsContact O-N 3.11Å
421	S	48.6	Very low	64.7	Low	90 Å²	90	86.1 Å²	86.1	63%	0.629	43%	0.428	S	S	*	.	S	Bend	trans	-81.7	93.4	-171.5	171	0	0	0	0	113.3
422	G	45.1	Very low	63.1	Low	58 Å²	58	89.2 Å²	89.2	60%	0.598	45%	0.449	S	S	*	.	S	Bend	trans	78.9	152	164	0	0	0	0	0	113.6	T420 K424	T420-G422 PolarHBondContact O-N 3.43Å; T420-G422 VanDerWaalsContact O-N 3.11Å; G422-K424 PolarHBondContact O-N 3.48Å
423	H	44.1	Very low	61.8	Low	211 Å²	211	94 Å²	94	98%	0.977	47%	0.474	S	S	*	.	S	Bend	trans	-56.9	26.2	177.8	-75	-80.2	0	0	0	115.9	K425	H423-K425 PolarHBondContact O-N 3.48Å
424	K	41.1	Very low	60.4	Low	181 Å²	181	97.5 Å²	97.5	79%	0.787	49%	0.492	S	S	*	.			trans	-69.6	94.6	176.9	-75.8	-173.3	176.4	178.4	0	110.5	G422	G422-K424 PolarHBondContact O-N 3.48Å
425	K	45.8	Very low	59.5	Low	154 Å²	154	98.3 Å²	98.3	67%	0.67	50%	0.497	S	S	*	.			trans	54	82.2	151.5	-62	-177.1	179.2	-179.3	0	114.2	H423 F427	H423-K425 PolarHBondContact O-N 3.48Å; K425-F427 PolarHBondContact O-N 3.26Å
426	V	48.6	Very low	59	Low	88 Å²	88	100 Å²	100	53%	0.533	52%	0.515	S	S	.	.			trans	-55	95.1	143.5	176.1	0	0	0	0	106.5	K429 Y431	V426-K429 VanDerWaalsContact CG1-CA 3.44Å; V426-Y431 HydrophobicContact CG2-CE1 4.28Å
427	F	45.6	Very low	59.2	Low	143 Å²	143	102.9 Å²	102.9	63%	0.627	53%	0.532	S	S	*	.	B	Isolated β-bridge	trans	-87.5	114.6	177.4	-149.5	-90.5	0	0	0	106.9	K425 K429 Y430	K425-F427 PolarHBondContact O-N 3.26Å; F427-K429 VanDerWaalsContact C-N 3.33Å; F427-K429 PolarHBondContact O-N 3.41Å; F427-Y430 PolarHBondContact N-O 2.79Å; F427-Y430 PolarHBondContact O-N 2.79Å; F427-Y430 VanDerWaalsContact O-N 3.15Å
428	K	52.9	Low	59.6	Low	176 Å²	176	103.6 Å²	103.6	77%	0.765	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	48.4	-178	-67.2	-174	174.1	-179.2	0	114.3	Y430	K428-Y430 VanDerWaalsContact C-N 3.35Å; K428-Y430 WeakPolarHBondContact O-CD2 3.26Å; K428-Y430 WeakPolarHBondContact O-CE2 3.37Å; K428-Y430 PolarHBondContact O-N 2.81Å
429	K	61.2	Low	60.5	Low	153 Å²	153	107.4 Å²	107.4	67%	0.665	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.4	5.5	177.9	-52.9	177.2	172.8	-179.3	0	117	V426 F427 N837	V426-K429 VanDerWaalsContact CG1-CA 3.44Å; F427-K429 VanDerWaalsContact C-N 3.33Å; F427-K429 PolarHBondContact O-N 3.41Å; K429-N837 PolarHBondContact NZ-OD1 3.15Å
430	Y	64.4	Low	61.6	Low	162 Å²	162	104.5 Å²	104.5	64%	0.635	54%	0.538	S	S	*	.	B	Isolated β-bridge	trans	-108.2	138.5	177.1	-61.7	-83.6	0	0	0	111.8	F427 K428	F427-Y430 PolarHBondContact N-O 2.79Å; F427-Y430 PolarHBondContact O-N 2.79Å; F427-Y430 VanDerWaalsContact O-N 3.15Å; K428-Y430 VanDerWaalsContact C-N 3.35Å; K428-Y430 WeakPolarHBondContact O-CD2 3.26Å; K428-Y430 WeakPolarHBondContact O-CE2 3.37Å; K428-Y430 PolarHBondContact O-N 2.81Å
431	Y	62.1	Low	63.3	Low	102 Å²	102	99.3 Å²	99.3	40%	0.4	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-78	139	169.3	-70.3	-86.2	0	0	0	110	T5 P418 V426 I433	T5-Y431 HydrophobicContact CG2-CE2 3.92Å; P418-Y431 HydrophobicContact CB-CG 4.49Å; V426-Y431 HydrophobicContact CG2-CE1 4.28Å; Y431-I433 PolarHBondContact O-N 3Å
432	S	60.8	Low	65.4	Low	71 Å²	71	99 Å²	99	50%	0.497	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-66.7	129.1	165.7	-60.6	0	0	0	0	109.7	L419	L419-S432 PolarHBondContact N-O 3.08Å
433	I	65.8	Low	67.7	Low	102 Å²	102	97.1 Å²	97.1	52%	0.523	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.5	-176.7	-63	174.1	0	0	0	108.7	Q417 Y431 L435	Q417-I433 WeakPolarHBondContact O-CG2 3.27Å; Y431-I433 PolarHBondContact O-N 3Å; I433-L435 WeakPolarHBondContact CG2-O 3.36Å
434	N	61.8	Low	70	Confident	81 Å²	81	92.2 Å²	92.2	43%	0.433	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-40.9	174.8	-94.1	-34	0	0	0	111.7	Q417 L419	Q417-N434 PolarHBondContact O-N 3.23Å; L419-N434 WeakPolarHBondContact CA-ND2 3.43Å; L419-N434 HydrophobicContact CD1-CB 4.16Å; L419-N434 WeakPolarHBondContact CD1-OD1 3.35Å; L419-N434 WeakPolarHBondContact CG-OD1 3.42Å
435	L	70.4	Confident	72.3	Confident	21 Å²	21	84.4 Å²	84.4	11%	0.11	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	119.6	-178.2	-72.5	166.9	0	0	0	108.7	G396 A397 G416 Q417 I433 F487	G396-L435 WeakPolarHBondContact O-CD1 3.43Å; A397-L435 HydrophobicContact CB-CD1 4.4Å; G416-L435 CarbonylContact C-O 3.54Å; G416-L435 WeakPolarHBondContact CA-O 3.11Å; Q417-L435 PolarHBondContact N-O 3.39Å; Q417-L435 VanDerWaalsContact N-O 3.09Å; I433-L435 WeakPolarHBondContact CG2-O 3.36Å; L435-F487 HydrophobicContact CD1-CB 4.19Å; L435-F487 HydrophobicContact CD1-CD2 3.54Å; L435-F487 HydrophobicContact CD1-CE2 4.2Å; L435-F487 HydrophobicContact CD1-CG 4.07Å; L435-F487 HydrophobicContact CD2-CB 3.96Å; L435-F487 HydrophobicContact CD2-CD2 4.17Å; L435-F487 HydrophobicContact CG-CD2 4.45Å
436	G	75.7	Confident	74.2	Confident	40 Å²	40	79.3 Å²	79.3	41%	0.412	40%	0.4	S	S	.	.			trans	-62.3	166.6	174.6	0	0	0	0	0	112.8
437	P	83.6	Confident	75.7	Confident	69 Å²	69	84.4 Å²	84.4	45%	0.448	41%	0.414	S	S	.	.			trans	-59.5	148	169.3	29	-34.4	0	0	0	110.1	F11 V413 R414	F11-P437 HydrophobicContact CE1-CB 4.23Å; F11-P437 HydrophobicContact CE1-CG 4.25Å; F11-P437 HydrophobicContact CZ-CB 4.39Å; V413-P437 HydrophobicContact CG1-CB 4.18Å; R414-P437 CarbonylContact O-C 3.57Å; R414-P437 WeakPolarHBondContact O-CA 3.21Å
438	L	84.9	Confident	77.1	Confident	56 Å²	56	79.8 Å²	79.8	29%	0.293	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122.3	-179.9	179.4	74.8	0	0	0	109.4	V413 R414 V440 F480 L489	V413-L438 WeakPolarHBondContact CA-O 3.43Å; R414-L438 PolarHBondContact N-O 2.81Å; R414-L438 PolarHBondContact O-N 2.8Å; L438-V440 PolarHBondContact O-N 2.89Å; L438-F480 HydrophobicContact CD2-CE1 3.65Å; L438-F480 HydrophobicContact CD2-CZ 4.49Å; L438-L489 HydrophobicContact CD2-CB 4.34Å
439	Q	87.2	Confident	78.6	Confident	101 Å²	101	72.8 Å²	72.8	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.2	167.3	-174.8	177.1	-16.4	0	0	108.9	E442	Q439-E442 PolarHBondContact NE2-OE2 2.93Å
440	V	87.5	Confident	79.8	Confident	12 Å²	12	66 Å²	66	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-48	-173.5	-179.5	0	0	0	0	110.3	F391 L412 R414 L438 V478 F480 L489 A492	F391-V440 HydrophobicContact CE1-CG2 4.32Å; F391-V440 HydrophobicContact CZ-CG1 4.17Å; F391-V440 HydrophobicContact CZ-CG2 4.06Å; L412-V440 HydrophobicContact CD2-CB 4.49Å; L412-V440 HydrophobicContact CD2-CG1 4.48Å; L412-V440 WeakPolarHBondContact O-CB 3.09Å; L412-V440 PolarHBondContact O-N 2.9Å; R414-V440 HydrophobicContact CB-CG2 4.2Å; L438-V440 PolarHBondContact O-N 2.89Å; V440-V478 HydrophobicContact CG1-CB 4.32Å; V440-V478 HydrophobicContact CG1-CG1 3.42Å; V440-V478 VanDerWaalsContact CG1-CG1 3.42Å; V440-V478 HydrophobicContact CG1-CG2 3.88Å; V440-F480 HydrophobicContact CG2-CZ 4.25Å; V440-L489 HydrophobicContact CG1-CD1 4.14Å; V440-A492 HydrophobicContact CG1-CB 4.31Å
441	I	91.5	Very high	81.1	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.072	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.3	-173.9	-77.4	155.3	0	0	0	108.8	C411 L412 I443 L476 V478 A492 V494	C411-I441 WeakPolarHBondContact CA-O 3.37Å; L412-I441 HydrophobicContact CB-CB 4.13Å; L412-I441 HydrophobicContact CD2-CD1 4.15Å; L412-I441 PolarHBondContact N-O 3.06Å; L412-I441 PolarHBondContact O-N 3.41Å; I441-I443 HydrophobicContact CG2-CD1 3.99Å; I441-I443 HydrophobicContact CG2-CG1 3.63Å; I441-L476 HydrophobicContact CD1-CD2 3.8Å; I441-V478 HydrophobicContact CD1-CG2 3.68Å; I441-A492 HydrophobicContact CD1-CB 4.31Å; I441-A492 HydrophobicContact CG1-CB 3.97Å; I441-V494 HydrophobicContact CB-CG2 4.42Å; I441-V494 HydrophobicContact CD1-CG2 3.47Å; I441-V494 VanDerWaalsContact CD1-CG2 3.47Å; I441-V494 HydrophobicContact CG1-CG2 3.83Å; I441-V494 HydrophobicContact CG2-CG2 3.68Å
442	E	93.5	Very high	82.2	Confident	83 Å²	83	55.5 Å²	55.5	39%	0.388	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131	165.6	-168.5	163.9	164.6	0	0	108.4	K409 L410 Q439 H444	K409-E442 HydrophobicContact CB-CG 4.35Å; K409-E442 VanDerWaalsContact CD-OE1 3.25Å; K409-E442 WeakPolarHBondContact CD-OE1 3.25Å; L410-E442 CarbonylContact O-C 3.55Å; L410-E442 WeakPolarHBondContact O-CA 3.48Å; Q439-E442 PolarHBondContact NE2-OE2 2.93Å; E442-H444 IonicContact OE1-CE1 3.16Å; E442-H444 PolarHBondContact OE1-CE1 3.42Å; E442-H444 IonicContact OE1-NE2 3.2Å; E442-H444 PolarHBondContact OE1-NE2 2.82Å
443	I	93.9	Very high	83.6	Confident	19 Å²	19	52.9 Å²	52.9	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.3	179.2	-58.9	157.5	0	0	0	107.4	K409 L410 I441 F451 I463 L474	K409-I443 CarbonylContact C-O 3.48Å; K409-I443 VanDerWaalsContact CA-O 3.29Å; K409-I443 WeakPolarHBondContact CA-O 3.41Å; L410-I443 HydrophobicContact CB-CB 4.26Å; L410-I443 PolarHBondContact N-O 3.15Å; L410-I443 PolarHBondContact O-N 2.97Å; I441-I443 HydrophobicContact CG2-CD1 3.99Å; I441-I443 HydrophobicContact CG2-CG1 3.63Å; I443-F451 HydrophobicContact CG2-CZ 4.11Å; I443-F451 WeakPolarHBondContact O-CE2 3.36Å; I443-I463 HydrophobicContact CD1-CD1 3.97Å; I443-I463 HydrophobicContact CD1-CG2 4.49Å; I443-L474 HydrophobicContact CD1-CD1 3.61Å; I443-L474 HydrophobicContact CG1-CD1 4.36Å; I443-L474 HydrophobicContact CG2-CD1 4.19Å
444	H	92.5	Very high	85	Confident	108 Å²	108	48 Å²	48	50%	0.5	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-102.7	147.3	172.6	-65	-73.6	0	0	0	110.8	D408 E442	D408-H444 PolarHBondContact O-ND1 2.73Å; D408-H444 VanDerWaalsContact O-ND1 3.13Å; E442-H444 IonicContact OE1-CE1 3.16Å; E442-H444 PolarHBondContact OE1-CE1 3.42Å; E442-H444 IonicContact OE1-NE2 3.2Å; E442-H444 PolarHBondContact OE1-NE2 2.82Å
445	P	89	Confident	86.5	Confident	18 Å²	18	44.6 Å²	44.6	12%	0.117	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-70.1	169.8	170.3	33.4	-31.8	0	0	0	109.2	D408 M449 F451	D408-P445 WeakPolarHBondContact O-CD 3.35Å; P445-M449 HydrophobicContact CB-CB 4.16Å; P445-M449 WeakPolarHBondContact CG-O 3.35Å; P445-F451 HydrophobicContact CB-CD1 4.36Å; P445-F451 HydrophobicContact CB-CD2 4.47Å; P445-F451 HydrophobicContact CB-CE1 3.97Å; P445-F451 HydrophobicContact CB-CE2 4.12Å; P445-F451 HydrophobicContact CB-CZ 3.85Å; P445-F451 HydrophobicContact CG-CD2 4.32Å; P445-F451 HydrophobicContact CG-CE2 4.01Å; P445-F451 HydrophobicContact CG-CZ 4.23Å; P445-F451 VanDerWaalsContact N-CZ 3.31Å
446	S	85.8	Confident	87.7	Confident	47 Å²	47	44 Å²	44	33%	0.329	24%	0.242	S	C	.	.	S	Bend	trans	-59.4	150.6	171.5	54.4	0	0	0	0	111	G448 M449	S446-G448 PolarHBondContact O-N 3.34Å; S446-M449 WeakPolarHBondContact O-CB 3.36Å; S446-M449 PolarHBondContact O-N 2.92Å; S446-M449 WeakPolarHBondContact OG-CG 3.32Å
447	K	80.2	Confident	88.5	Confident	195 Å²	195	42 Å²	42	85%	0.848	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.9	129.4	176.1	-69.1	-176	-179.3	177.4	0	110.2	M449	K447-M449 PolarHBondContact O-N 2.9Å
448	G	75.1	Confident	88.9	Confident	45 Å²	45	40.9 Å²	40.9	46%	0.464	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-1.6	-179.2	0	0	0	0	0	117	R57 S446	R57-G448 WeakPolarHBondContact CD-O 3.25Å; S446-G448 PolarHBondContact O-N 3.34Å
449	M	84	Confident	89	Confident	29 Å²	29	40.6 Å²	40.6	14%	0.143	22%	0.218	C	C	.	.			trans	-106.3	162.4	177.9	-64.7	-72.2	133.7	0	0	113.2	R57 P445 S446 K447 D467 F468 K469	R57-M449 PolarHBondContact NH1-O 2.8Å; P445-M449 HydrophobicContact CB-CB 4.16Å; P445-M449 WeakPolarHBondContact CG-O 3.35Å; S446-M449 WeakPolarHBondContact O-CB 3.36Å; S446-M449 PolarHBondContact O-N 2.92Å; S446-M449 WeakPolarHBondContact OG-CG 3.32Å; K447-M449 PolarHBondContact O-N 2.9Å; M449-D467 HydrophobicContact CB-CB 4.5Å; M449-F468 HydrophobicContact SD-CB 4.42Å; M449-K469 HydrophobicContact CE-CD 3.98Å; M449-K469 HydrophobicContact CE-CG 4.31Å; M449-K469 HydrophobicContact CG-CD 4.41Å; M449-K469 HydrophobicContact SD-CD 3.92Å; M449-K469 HydrophobicContact SD-CG 3.94Å
450	E	86.5	Confident	89	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.056	20%	0.201	C	C	.	.			trans	-126.7	153.5	172.2	-63.5	-176.2	153.7	0	0	110.1	P55 R56 R57 P407 F468	P55-E450 WeakPolarHBondContact CB-OE2 3.41Å; R56-E450 WeakPolarHBondContact CB-OE1 3.48Å; R56-E450 PolarHBondContact N-OE2 3.03Å; R57-E450 HydrophobicContact CG-CG 4.06Å; R57-E450 IonicContact NE-OE1 2.7Å; P407-E450 CarbonylContact O-C 3.6Å; P407-E450 WeakPolarHBondContact O-CA 3.31Å; P407-E450 WeakPolarHBondContact O-CB 3.38Å; E450-F468 HydrophobicContact CB-CE2 4.33Å
451	F	90.1	Very high	89.1	Confident	12 Å²	12	38 Å²	38	5%	0.053	21%	0.213	C	C	.	.			trans	-77.6	132.6	171.8	-63	-64.7	0	0	0	110.5	H405 P407 L410 I443 P445 Y465	H405-F451 WeakPolarHBondContact NE2-CB 3.48Å; P407-F451 PolarHBondContact O-N 3.35Å; L410-F451 HydrophobicContact CB-CE2 4.49Å; L410-F451 HydrophobicContact CD1-CD1 4.32Å; L410-F451 HydrophobicContact CD1-CE1 4.13Å; L410-F451 HydrophobicContact CD1-CE2 4.32Å; L410-F451 HydrophobicContact CD1-CZ 4.12Å; L410-F451 HydrophobicContact CD2-CD2 4.12Å; L410-F451 HydrophobicContact CD2-CE2 4.46Å; L410-F451 HydrophobicContact CD2-CG 4.36Å; L410-F451 HydrophobicContact CG-CD1 4.48Å; L410-F451 HydrophobicContact CG-CD2 3.83Å; L410-F451 HydrophobicContact CG-CE1 4.37Å; L410-F451 HydrophobicContact CG-CE2 3.69Å; L410-F451 HydrophobicContact CG-CG 4.22Å; L410-F451 HydrophobicContact CG-CZ 3.98Å; I443-F451 HydrophobicContact CG2-CZ 4.11Å; I443-F451 WeakPolarHBondContact O-CE2 3.36Å; P445-F451 HydrophobicContact CB-CD1 4.36Å; P445-F451 HydrophobicContact CB-CD2 4.47Å; P445-F451 HydrophobicContact CB-CE1 3.97Å; P445-F451 HydrophobicContact CB-CE2 4.12Å; P445-F451 HydrophobicContact CB-CZ 3.85Å; P445-F451 HydrophobicContact CG-CD2 4.32Å; P445-F451 HydrophobicContact CG-CE2 4.01Å; P445-F451 HydrophobicContact CG-CZ 4.23Å; P445-F451 VanDerWaalsContact N-CZ 3.31Å; F451-Y465 AromaticContact CD1-CD2 3.48Å; F451-Y465 HydrophobicContact CD1-CD2 3.48Å; F451-Y465 VanDerWaalsContact CD1-CD2 3.48Å; F451-Y465 HydrophobicContact CD1-CE2 4.11Å; F451-Y465 AromaticContact CD1-CG 3.89Å; F451-Y465 HydrophobicContact CD1-CG 3.89Å; F451-Y465 HydrophobicContact CE1-CD1 4.2Å; F451-Y465 AromaticContact CE1-CD2 3.3Å; F451-Y465 HydrophobicContact CE1-CD2 3.3Å; F451-Y465 HydrophobicContact CE1-CE1 4.44Å; F451-Y465 AromaticContact CE1-CE2 3.58Å; F451-Y465 HydrophobicContact CE1-CE2 3.58Å; F451-Y465 AromaticContact CE1-CG 3.61Å; F451-Y465 HydrophobicContact CE1-CG 3.61Å
452	I	86.8	Confident	89.2	Confident	30 Å²	30	39.2 Å²	39.2	15%	0.154	22%	0.218	C	C	.	.			trans	-94.7	-49.4	177	-57.5	175.4	0	0	0	109.9	P374 S466 D467 F468	P374-I452 WeakPolarHBondContact CD-O 3.27Å; P374-I452 WeakPolarHBondContact CG-O 3.32Å; I452-S466 PolarHBondContact N-O 2.98Å; I452-D467 WeakPolarHBondContact CD1-O 3.41Å; I452-F468 HydrophobicContact CD1-CB 4.42Å; I452-F468 HydrophobicContact CD1-CD1 3.44Å; I452-F468 VanDerWaalsContact CD1-CD1 3.44Å; I452-F468 HydrophobicContact CD1-CD2 4.34Å; I452-F468 HydrophobicContact CD1-CE1 3.65Å; I452-F468 HydrophobicContact CD1-CG 3.83Å; I452-F468 HydrophobicContact CD1-CZ 4.22Å; I452-F468 HydrophobicContact CG1-CD1 4.19Å; I452-F468 HydrophobicContact CG1-CD2 4.42Å; I452-F468 HydrophobicContact CG1-CE1 4.02Å; I452-F468 HydrophobicContact CG1-CE2 4.29Å; I452-F468 HydrophobicContact CG1-CG 4.39Å; I452-F468 HydrophobicContact CG1-CZ 4.11Å
453	K	90.6	Very high	89.3	Confident	16 Å²	16	35.3 Å²	35.3	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	152.2	-178.6	-156.3	74.9	170.6	-164.2	0	109.3	S372 H373 P374 Y465 S466 C591 M593	S372-K453 PolarHBondContact O-NZ 3.27Å; H373-K453 PolarHBondContact O-NZ 3.34Å; P374-K453 HydrophobicContact CB-CD 4.19Å; K453-Y465 CarbonylContact O-C 3.58Å; K453-Y465 WeakPolarHBondContact O-CA 3.27Å; K453-S466 PolarHBondContact O-N 2.99Å; K453-C591 WeakPolarHBondContact CD-O 3.44Å; K453-C591 WeakPolarHBondContact CG-O 3.45Å; K453-M593 HydrophobicContact CB-CE 3.61Å; K453-M593 HydrophobicContact CG-CE 4.06Å; K453-M593 WeakPolarHBondContact O-CE 3.45Å
454	S	93.8	Very high	89.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	163.2	173	62.3	0	0	0	0	109.6	Y378 H405 V464	Y378-S454 WeakPolarHBondContact CE2-O 3.46Å; Y378-S454 WeakPolarHBondContact CE2-OG 3.32Å; Y378-S454 PolarHBondContact OH-O 2.88Å; H405-S454 PolarHBondContact ND1-OG 2.87Å; S454-V464 CarbonylContact C-O 3.55Å; S454-V464 WeakPolarHBondContact CA-O 3.44Å
455	S	93.9	Very high	89.4	Confident	9 Å²	9	29.8 Å²	29.8	6%	0.063	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	147.2	170.4	-178.4	0	0	0	0	109.4	V464	S455-V464 PolarHBondContact N-O 2.93Å; S455-V464 PolarHBondContact O-N 2.92Å
456	L	94.5	Very high	89.6	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.5	172.5	-177.1	63.9	0	0	0	109.1	V380 L401 L403 L412 I463 L476	V380-L456 HydrophobicContact CB-CD2 3.91Å; V380-L456 HydrophobicContact CG2-CB 4.23Å; V380-L456 HydrophobicContact CG2-CD2 3.63Å; V380-L456 HydrophobicContact CG2-CG 3.8Å; L401-L456 HydrophobicContact CB-CD2 4.11Å; L403-L456 HydrophobicContact CB-CB 4.18Å; L403-L456 HydrophobicContact CB-CD2 4.34Å; L403-L456 HydrophobicContact CD2-CB 4.16Å; L412-L456 HydrophobicContact CD1-CD1 4.26Å; L412-L456 HydrophobicContact CD1-CD2 4.04Å; L456-I463 HydrophobicContact CD1-CD1 4.3Å; L456-I463 HydrophobicContact CD1-CG1 3.6Å; L456-L476 HydrophobicContact CD1-CD1 4.11Å
457	S	94.1	Very high	89.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.			trans	-68.2	143.1	174.4	62.3	0	0	0	0	111.5	C459 G460 S461 F462	S457-C459 PolarHBondContact O-N 3.22Å; S457-C459 VanDerWaalsContact O-N 3.15Å; S457-C459 PolarHBondContact OG-SG 3.18Å; S457-C459 VanDerWaalsContact OG-SG 3.36Å; S457-G460 WeakPolarHBondContact O-CA 3.45Å; S457-G460 PolarHBondContact O-N 3.43Å; S457-S461 PolarHBondContact OG-N 3Å; S457-F462 WeakPolarHBondContact CB-O 3.43Å; S457-F462 PolarHBondContact N-O 2.93Å; S457-F462 WeakPolarHBondContact OG-CA 3.2Å; S457-F462 PolarHBondContact OG-N 3.29Å; S457-F462 PolarHBondContact OG-O 2.94Å
458	P	90.6	Very high	89.7	Confident	44 Å²	44	20 Å²	20	29%	0.286	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-27.4	175.9	-29.5	35.1	0	0	0	115.1	V380 G460 P597 S599	V380-P458 WeakPolarHBondContact CG1-O 3.03Å; P458-G460 PolarHBondContact O-N 2.88Å; P458-P597 WeakPolarHBondContact CB-O 3.03Å; P458-S599 WeakPolarHBondContact CD-OG 3.41Å
459	C	87.7	Confident	90.1	Very high	51 Å²	51	22.2 Å²	22.2	35%	0.345	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.1	173.7	68.9	0	0	0	0	114	S457 S461 S599	S457-C459 PolarHBondContact O-N 3.22Å; S457-C459 VanDerWaalsContact O-N 3.15Å; S457-C459 PolarHBondContact OG-SG 3.18Å; S457-C459 VanDerWaalsContact OG-SG 3.36Å; C459-S461 PolarHBondContact O-N 2.98Å; C459-S461 VanDerWaalsContact O-N 3.13Å; C459-S461 PolarHBondContact O-OG 2.84Å; C459-S599 PolarHBondContact N-OG 3.5Å; C459-S599 VanDerWaalsContact SG-CB 3.52Å; C459-S599 PolarHBondContact SG-OG 3.03Å; C459-S599 VanDerWaalsContact SG-OG 3.41Å
460	G	87.2	Confident	90.4	Very high	11 Å²	11	24.1 Å²	24.1	11%	0.113	13%	0.125	C	C	.	.	S	Bend	trans	65.2	9.5	-177.1	0	0	0	0	0	115.2	S457 P458 L476	S457-G460 WeakPolarHBondContact O-CA 3.45Å; S457-G460 PolarHBondContact O-N 3.43Å; P458-G460 PolarHBondContact O-N 2.88Å; G460-L476 WeakPolarHBondContact O-CD1 3.34Å
461	S	89.8	Confident	90.6	Very high	48 Å²	48	24 Å²	24	34%	0.336	13%	0.126	S	C	.	.	S	Bend	trans	-99.9	-11.6	-174.1	-57.8	0	0	0	0	113.7	S457 C459 L476	S457-S461 PolarHBondContact OG-N 3Å; C459-S461 PolarHBondContact O-N 2.98Å; C459-S461 VanDerWaalsContact O-N 3.13Å; C459-S461 PolarHBondContact O-OG 2.84Å; S461-L476 WeakPolarHBondContact O-CB 2.91Å; S461-L476 PolarHBondContact O-N 2.78Å
462	F	94	Very high	90.7	Very high	39 Å²	39	27.6 Å²	27.6	17%	0.171	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143	179.3	-55	-82.8	0	0	0	112.1	S457 L473 L474 K475 V497 F595 V617	S457-F462 WeakPolarHBondContact CB-O 3.43Å; S457-F462 PolarHBondContact N-O 2.93Å; S457-F462 WeakPolarHBondContact OG-CA 3.2Å; S457-F462 PolarHBondContact OG-N 3.29Å; S457-F462 PolarHBondContact OG-O 2.94Å; F462-L473 HydrophobicContact CB-CD1 4.04Å; F462-L473 HydrophobicContact CD1-CD1 4.44Å; F462-L474 CarbonylContact C-O 3.6Å; F462-L474 WeakPolarHBondContact CA-O 3.19Å; F462-K475 HydrophobicContact CD1-CB 4.19Å; F462-K475 HydrophobicContact CD1-CG 4.32Å; F462-K475 HydrophobicContact CE1-CB 4.14Å; F462-K475 HydrophobicContact CE1-CD 4.21Å; F462-K475 HydrophobicContact CE1-CG 3.96Å; F462-V497 HydrophobicContact CD1-CG2 4.43Å; F462-V497 HydrophobicContact CE1-CG2 4.38Å; F462-F595 HydrophobicContact CB-CE1 4.32Å; F462-F595 HydrophobicContact CB-CZ 4.07Å; F462-V617 HydrophobicContact CD1-CG1 4.26Å; F462-V617 HydrophobicContact CD2-CG1 4.2Å; F462-V617 HydrophobicContact CE1-CG1 4.14Å; F462-V617 HydrophobicContact CE2-CG1 4.08Å; F462-V617 HydrophobicContact CG-CG1 4.28Å; F462-V617 HydrophobicContact CZ-CG1 4.05Å
463	I	95	Very high	91	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.2	166.1	-70.3	175.4	0	0	0	107.1	L403 L410 I443 L456 L474 L476	L403-I463 HydrophobicContact CD1-CD1 3.8Å; L403-I463 HydrophobicContact CD2-CD1 4.35Å; L403-I463 HydrophobicContact CD2-CG1 4.3Å; L403-I463 HydrophobicContact CD2-CG2 4.02Å; L410-I463 HydrophobicContact CD1-CG2 4.42Å; I443-I463 HydrophobicContact CD1-CD1 3.97Å; I443-I463 HydrophobicContact CD1-CG2 4.49Å; L456-I463 HydrophobicContact CD1-CD1 4.3Å; L456-I463 HydrophobicContact CD1-CG1 3.6Å; I463-L474 HydrophobicContact CB-CB 4.38Å; I463-L474 HydrophobicContact CG2-CD1 4.49Å; I463-L474 PolarHBondContact N-O 2.98Å; I463-L474 WeakPolarHBondContact O-CB 3.45Å; I463-L474 PolarHBondContact O-N 2.81Å; I463-L476 HydrophobicContact CD1-CD1 3.78Å; I463-L476 HydrophobicContact CD1-CD2 3.89Å; I463-L476 HydrophobicContact CD1-CG 4.25Å; I463-L476 HydrophobicContact CG1-CD1 3.68Å; I463-L476 HydrophobicContact CG1-CD2 4.27Å; I463-L476 HydrophobicContact CG1-CG 4.16Å
464	V	94.9	Very high	91.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.3	166.7	69.5	0	0	0	0	109	S454 S455 T471 R472 L473 M593 F595 L602	S454-V464 CarbonylContact C-O 3.55Å; S454-V464 WeakPolarHBondContact CA-O 3.44Å; S455-V464 PolarHBondContact N-O 2.93Å; S455-V464 PolarHBondContact O-N 2.92Å; V464-T471 HydrophobicContact CG2-CG2 3.61Å; V464-R472 WeakPolarHBondContact CA-O 3.29Å; V464-R472 WeakPolarHBondContact CG2-O 3.25Å; V464-L473 HydrophobicContact CB-CD1 4.24Å; V464-M593 HydrophobicContact CB-SD 4.37Å; V464-M593 HydrophobicContact CG1-CB 4.15Å; V464-M593 HydrophobicContact CG1-CE 4.29Å; V464-M593 HydrophobicContact CG1-SD 3.93Å; V464-M593 HydrophobicContact CG2-SD 3.59Å; V464-M593 VanDerWaalsContact CG2-SD 3.59Å; V464-F595 HydrophobicContact CB-CE2 4.05Å; V464-F595 HydrophobicContact CB-CZ 3.92Å; V464-F595 HydrophobicContact CG1-CE2 3.6Å; V464-F595 HydrophobicContact CG1-CZ 3.96Å; V464-L602 HydrophobicContact CB-CD1 4.33Å; V464-L602 HydrophobicContact CB-CD2 4.44Å; V464-L602 HydrophobicContact CG1-CD1 3.89Å; V464-L602 HydrophobicContact CG2-CD1 4.38Å; V464-L602 HydrophobicContact CG2-CD2 3.8Å
465	Y	94.4	Very high	91.1	Very high	10 Å²	10	32 Å²	32	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.2	170.6	73.1	-97.1	0	0	0	110.4	L410 F451 K453 T471 R472 L474	L410-Y465 HydrophobicContact CD1-CG 4.43Å; F451-Y465 AromaticContact CD1-CD2 3.48Å; F451-Y465 HydrophobicContact CD1-CD2 3.48Å; F451-Y465 VanDerWaalsContact CD1-CD2 3.48Å; F451-Y465 HydrophobicContact CD1-CE2 4.11Å; F451-Y465 AromaticContact CD1-CG 3.89Å; F451-Y465 HydrophobicContact CD1-CG 3.89Å; F451-Y465 HydrophobicContact CE1-CD1 4.2Å; F451-Y465 AromaticContact CE1-CD2 3.3Å; F451-Y465 HydrophobicContact CE1-CD2 3.3Å; F451-Y465 HydrophobicContact CE1-CE1 4.44Å; F451-Y465 AromaticContact CE1-CE2 3.58Å; F451-Y465 HydrophobicContact CE1-CE2 3.58Å; F451-Y465 AromaticContact CE1-CG 3.61Å; F451-Y465 HydrophobicContact CE1-CG 3.61Å; K453-Y465 CarbonylContact O-C 3.58Å; K453-Y465 WeakPolarHBondContact O-CA 3.27Å; Y465-T471 CarbonylContact O-C 3.42Å; Y465-T471 WeakPolarHBondContact O-CA 3.47Å; Y465-R472 HydrophobicContact CD1-CB 4.19Å; Y465-R472 HydrophobicContact CD2-CB 4.48Å; Y465-R472 HydrophobicContact CE1-CB 3.66Å; Y465-R472 HydrophobicContact CE2-CB 4.03Å; Y465-R472 PolarHBondContact N-O 2.75Å; Y465-R472 PolarHBondContact O-N 3.18Å; Y465-R472 WeakPolarHBondContact OH-CD 3.36Å; Y465-L474 HydrophobicContact CD1-CD1 3.8Å; Y465-L474 HydrophobicContact CD1-CG 4.15Å; Y465-L474 HydrophobicContact CE1-CD1 3.66Å; Y465-L474 HydrophobicContact CE1-CD2 4.13Å; Y465-L474 HydrophobicContact CE1-CG 3.91Å
466	S	92	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.5	169.2	-169.7	0	0	0	0	109.6	I452 K453 R470 T471 P589 S590	I452-S466 PolarHBondContact N-O 2.98Å; K453-S466 PolarHBondContact O-N 2.99Å; S466-R470 WeakPolarHBondContact CA-O 3.4Å; S466-R470 PolarHBondContact OG-O 2.92Å; S466-T471 PolarHBondContact OG-OG1 2.78Å; S466-P589 WeakPolarHBondContact OG-CA 3.47Å; S466-S590 WeakPolarHBondContact CB-O 3.4Å; S466-S590 PolarHBondContact OG-N 2.78Å; S466-S590 PolarHBondContact OG-O 2.84Å
467	D	88.7	Confident	90.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.172	C	C	.	.			trans	-104.6	-174.3	161.4	61.4	36.8	0	0	0	108.9	M449 I452 K469 R470 P589	M449-D467 HydrophobicContact CB-CB 4.5Å; I452-D467 WeakPolarHBondContact CD1-O 3.41Å; D467-K469 PolarHBondContact O-N 3.37Å; D467-K469 WeakPolarHBondContact OD1-CA 3.27Å; D467-K469 WeakPolarHBondContact OD1-CB 3.28Å; D467-K469 PolarHBondContact OD1-N 3.14Å; D467-R470 PolarHBondContact N-O 3.35Å; D467-R470 PolarHBondContact OD1-N 2.81Å; D467-R470 VanDerWaalsContact OD1-O 3.07Å; D467-P589 VanDerWaalsContact O-CB 3.29Å; D467-P589 WeakPolarHBondContact O-CB 3.21Å
468	F	80.8	Confident	89.8	Confident	55 Å²	55	35.3 Å²	35.3	24%	0.241	18%	0.175	C	C	.	.	S	Bend	trans	-70.7	-17.1	178	-67.1	-76.2	0	0	0	114.6	P55 I58 M449 E450 I452	P55-F468 HydrophobicContact CB-CE2 4.24Å; P55-F468 HydrophobicContact CB-CZ 3.78Å; P55-F468 HydrophobicContact CG-CE1 4.33Å; P55-F468 HydrophobicContact CG-CE2 4.36Å; P55-F468 HydrophobicContact CG-CZ 3.5Å; I58-F468 HydrophobicContact CD1-CD1 4.47Å; I58-F468 HydrophobicContact CD1-CE1 3.67Å; I58-F468 HydrophobicContact CD1-CZ 3.78Å; I58-F468 HydrophobicContact CG1-CE1 4.29Å; I58-F468 HydrophobicContact CG1-CZ 4.01Å; M449-F468 HydrophobicContact SD-CB 4.42Å; E450-F468 HydrophobicContact CB-CE2 4.33Å; I452-F468 HydrophobicContact CD1-CB 4.42Å; I452-F468 HydrophobicContact CD1-CD1 3.44Å; I452-F468 VanDerWaalsContact CD1-CD1 3.44Å; I452-F468 HydrophobicContact CD1-CD2 4.34Å; I452-F468 HydrophobicContact CD1-CE1 3.65Å; I452-F468 HydrophobicContact CD1-CG 3.83Å; I452-F468 HydrophobicContact CD1-CZ 4.22Å; I452-F468 HydrophobicContact CG1-CD1 4.19Å; I452-F468 HydrophobicContact CG1-CD2 4.42Å; I452-F468 HydrophobicContact CG1-CE1 4.02Å; I452-F468 HydrophobicContact CG1-CE2 4.29Å; I452-F468 HydrophobicContact CG1-CG 4.39Å; I452-F468 HydrophobicContact CG1-CZ 4.11Å
469	K	83.4	Confident	89	Confident	90 Å²	90	33.8 Å²	33.8	39%	0.391	17%	0.166	S	C	.	.	S	Bend	trans	-90.7	-38	-179.1	-72.2	176.4	169.4	169.7	0	110.8	M449 D467	M449-K469 HydrophobicContact CE-CD 3.98Å; M449-K469 HydrophobicContact CE-CG 4.31Å; M449-K469 HydrophobicContact CG-CD 4.41Å; M449-K469 HydrophobicContact SD-CD 3.92Å; M449-K469 HydrophobicContact SD-CG 3.94Å; D467-K469 PolarHBondContact O-N 3.37Å; D467-K469 WeakPolarHBondContact OD1-CA 3.27Å; D467-K469 WeakPolarHBondContact OD1-CB 3.28Å; D467-K469 PolarHBondContact OD1-N 3.14Å
470	R	88.8	Confident	88.1	Confident	69 Å²	69	32.4 Å²	32.4	26%	0.26	15%	0.154	S	C	.	.			trans	-169	165.6	-168.2	57.9	-176.9	168.2	-163.3	-9.5	113.7	S466 D467 R472 T586 V587	S466-R470 WeakPolarHBondContact CA-O 3.4Å; S466-R470 PolarHBondContact OG-O 2.92Å; D467-R470 PolarHBondContact N-O 3.35Å; D467-R470 PolarHBondContact OD1-N 2.81Å; D467-R470 VanDerWaalsContact OD1-O 3.07Å; R470-R472 HydrophobicContact CG-CG 4.26Å; R470-R472 VanDerWaalsContact NH1-NH2 3.12Å; R470-T586 HydrophobicContact CB-CG2 3.71Å; R470-V587 CarbonylContact C-O 3.54Å; R470-V587 WeakPolarHBondContact CA-O 3.44Å; R470-V587 WeakPolarHBondContact CB-O 3.38Å
471	T	91.9	Very high	87.1	Confident	10 Å²	10	38.5 Å²	38.5	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.3	163.1	-55.5	0	0	0	0	110	V464 Y465 S466 V587 P588 S590 M593	V464-T471 HydrophobicContact CG2-CG2 3.61Å; Y465-T471 CarbonylContact O-C 3.42Å; Y465-T471 WeakPolarHBondContact O-CA 3.47Å; S466-T471 PolarHBondContact OG-OG1 2.78Å; T471-V587 HydrophobicContact CG2-CG1 4.25Å; T471-V587 PolarHBondContact N-O 3.46Å; T471-P588 WeakPolarHBondContact CB-O 3.33Å; T471-P588 PolarHBondContact N-O 2.94Å; T471-P588 PolarHBondContact OG1-O 2.8Å; T471-S590 WeakPolarHBondContact OG1-CB 3.29Å; T471-S590 PolarHBondContact OG1-N 2.87Å; T471-S590 PolarHBondContact OG1-OG 2.77Å; T471-M593 HydrophobicContact CG2-SD 3.48Å; T471-M593 WeakPolarHBondContact CG2-SD 3.41Å
472	R	92	Very high	85.8	Confident	88 Å²	88	39.8 Å²	39.8	33%	0.332	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.4	179.5	-83.6	-177.5	156.5	-158.3	-4.6	111.5	V464 Y465 R470	V464-R472 WeakPolarHBondContact CA-O 3.29Å; V464-R472 WeakPolarHBondContact CG2-O 3.25Å; Y465-R472 HydrophobicContact CD1-CB 4.19Å; Y465-R472 HydrophobicContact CD2-CB 4.48Å; Y465-R472 HydrophobicContact CE1-CB 3.66Å; Y465-R472 HydrophobicContact CE2-CB 4.03Å; Y465-R472 PolarHBondContact N-O 2.75Å; Y465-R472 PolarHBondContact O-N 3.18Å; Y465-R472 WeakPolarHBondContact OH-CD 3.36Å; R470-R472 HydrophobicContact CG-CG 4.26Å; R470-R472 VanDerWaalsContact NH1-NH2 3.12Å
473	L	93.6	Very high	84	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.1	171.8	-176.9	69.4	0	0	0	109.9	F462 V464 V497 W499 F595 V617	F462-L473 HydrophobicContact CB-CD1 4.04Å; F462-L473 HydrophobicContact CD1-CD1 4.44Å; V464-L473 HydrophobicContact CB-CD1 4.24Å; L473-V497 HydrophobicContact CB-CB 4.33Å; L473-V497 HydrophobicContact CD2-CB 3.98Å; L473-V497 HydrophobicContact CD2-CG1 4.15Å; L473-V497 HydrophobicContact CD2-CG2 3.93Å; L473-V497 HydrophobicContact CG-CB 4.17Å; L473-V497 HydrophobicContact CG-CG2 3.96Å; L473-V497 PolarHBondContact O-N 3.38Å; L473-W499 HydrophobicContact CB-CH2 4.22Å; L473-W499 HydrophobicContact CB-CZ2 4.4Å; L473-W499 HydrophobicContact CD2-CH2 4.23Å; L473-W499 HydrophobicContact CD2-CZ2 3.63Å; L473-F595 HydrophobicContact CD1-CE1 4.05Å; L473-F595 HydrophobicContact CD1-CZ 3.74Å; L473-V617 HydrophobicContact CD2-CG1 3.83Å
474	L	93.6	Very high	82.4	Confident	10 Å²	10	48.5 Å²	48.5	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	179.2	-57.8	177.4	0	0	0	109.7	I443 F462 I463 Y465 V494 K495 P496	I443-L474 HydrophobicContact CD1-CD1 3.61Å; I443-L474 HydrophobicContact CG1-CD1 4.36Å; I443-L474 HydrophobicContact CG2-CD1 4.19Å; F462-L474 CarbonylContact C-O 3.6Å; F462-L474 WeakPolarHBondContact CA-O 3.19Å; I463-L474 HydrophobicContact CB-CB 4.38Å; I463-L474 HydrophobicContact CG2-CD1 4.49Å; I463-L474 PolarHBondContact N-O 2.98Å; I463-L474 WeakPolarHBondContact O-CB 3.45Å; I463-L474 PolarHBondContact O-N 2.81Å; Y465-L474 HydrophobicContact CD1-CD1 3.8Å; Y465-L474 HydrophobicContact CD1-CG 4.15Å; Y465-L474 HydrophobicContact CE1-CD1 3.66Å; Y465-L474 HydrophobicContact CE1-CD2 4.13Å; Y465-L474 HydrophobicContact CE1-CG 3.91Å; L474-V494 HydrophobicContact CB-CG1 3.88Å; L474-V494 HydrophobicContact CD1-CG1 3.82Å; L474-V494 HydrophobicContact CD2-CG1 4.27Å; L474-V494 HydrophobicContact CG-CG1 4.22Å; L474-K495 CarbonylContact C-O 3.53Å; L474-K495 WeakPolarHBondContact CA-O 3.44Å; L474-P496 HydrophobicContact CD2-CB 4.33Å
475	K	92.4	Very high	80.6	Confident	119 Å²	119	60.6 Å²	60.6	52%	0.517	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.3	170.3	-172.8	171	-175.9	170.2	0	110.2	F462 V494 K495 V497	F462-K475 HydrophobicContact CD1-CB 4.19Å; F462-K475 HydrophobicContact CD1-CG 4.32Å; F462-K475 HydrophobicContact CE1-CB 4.14Å; F462-K475 HydrophobicContact CE1-CD 4.21Å; F462-K475 HydrophobicContact CE1-CG 3.96Å; K475-V494 WeakPolarHBondContact O-CA 3.33Å; K475-K495 PolarHBondContact N-O 3.31Å; K475-K495 PolarHBondContact O-N 3.1Å; K475-V497 HydrophobicContact CB-CG2 3.85Å
476	L	90.1	Very high	78.7	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.9	178.8	-60.2	-179.4	0	0	0	110.7	L412 I441 L456 G460 S461 I463 V494	L412-L476 HydrophobicContact CD2-CD1 3.92Å; I441-L476 HydrophobicContact CD1-CD2 3.8Å; L456-L476 HydrophobicContact CD1-CD1 4.11Å; G460-L476 WeakPolarHBondContact O-CD1 3.34Å; S461-L476 WeakPolarHBondContact O-CB 2.91Å; S461-L476 PolarHBondContact O-N 2.78Å; I463-L476 HydrophobicContact CD1-CD1 3.78Å; I463-L476 HydrophobicContact CD1-CD2 3.89Å; I463-L476 HydrophobicContact CD1-CG 4.25Å; I463-L476 HydrophobicContact CG1-CD1 3.68Å; I463-L476 HydrophobicContact CG1-CD2 4.27Å; I463-L476 HydrophobicContact CG1-CG 4.16Å; L476-V494 HydrophobicContact CD2-CG1 4.32Å; L476-V494 HydrophobicContact CD2-CG2 3.86Å
477	D	84.4	Confident	77.2	Confident	64 Å²	64	64.7 Å²	64.7	34%	0.342	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	86.2	172.9	177.5	-1.9	0	0	0	107.5	K491 K493	D477-K491 IonicContact OD1-NZ 3.18Å; D477-K491 PolarHBondContact OD1-NZ 3.43Å; D477-K491 VanDerWaalsContact OD1-NZ 3.1Å; D477-K491 WeakPolarHBondContact OD2-CE 3.35Å; D477-K491 IonicContact OD2-NZ 3.84Å; D477-K491 PolarHBondContact OD2-NZ 3.47Å; D477-K493 HydrophobicContact CB-CB 4.34Å; D477-K493 PolarHBondContact N-O 3.16Å; D477-K493 PolarHBondContact O-N 3.04Å
478	V	79.9	Confident	76.1	Confident	10 Å²	10	66.8 Å²	66.8	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.8	-178.6	-174.4	0	0	0	0	108.1	T390 F391 V440 I441 F480 L489 K491 A492	T390-V478 WeakPolarHBondContact CB-O 2.78Å; T390-V478 WeakPolarHBondContact CG2-O 3.47Å; F391-V478 HydrophobicContact CD2-CB 4.21Å; F391-V478 HydrophobicContact CD2-CG1 4.22Å; F391-V478 HydrophobicContact CE2-CB 3.42Å; F391-V478 VanDerWaalsContact CE2-CB 3.42Å; F391-V478 HydrophobicContact CE2-CG1 3.33Å; F391-V478 HydrophobicContact CE2-CG2 4.06Å; F391-V478 HydrophobicContact CZ-CB 4.08Å; F391-V478 HydrophobicContact CZ-CG1 3.51Å; V440-V478 HydrophobicContact CG1-CB 4.32Å; V440-V478 HydrophobicContact CG1-CG1 3.42Å; V440-V478 VanDerWaalsContact CG1-CG1 3.42Å; V440-V478 HydrophobicContact CG1-CG2 3.88Å; I441-V478 HydrophobicContact CD1-CG2 3.68Å; V478-F480 HydrophobicContact CG1-CE2 3.56Å; V478-F480 HydrophobicContact CG1-CZ 3.85Å; V478-L489 HydrophobicContact CG1-CD1 3.57Å; V478-K491 CarbonylContact C-O 3.56Å; V478-K491 VanDerWaalsContact CA-O 3.26Å; V478-K491 WeakPolarHBondContact CA-O 3.5Å; V478-A492 HydrophobicContact CG1-CB 4.48Å
479	A	74.4	Confident	75.6	Confident	13 Å²	13	67.3 Å²	67.3	11%	0.107	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142	176.5	0	0	0	0	0	112.2	T390 S490 K491	T390-A479 HydrophobicContact CG2-CB 3.69Å; A479-S490 VanDerWaalsContact CB-OG 3.31Å; A479-S490 WeakPolarHBondContact CB-OG 3.43Å; A479-S490 WeakPolarHBondContact O-CA 3.25Å; A479-S490 WeakPolarHBondContact O-CB 3.4Å; A479-S490 PolarHBondContact O-N 3.15Å; A479-S490 PolarHBondContact O-OG 2.8Å; A479-K491 HydrophobicContact CB-CB 3.93Å; A479-K491 PolarHBondContact N-O 2.94Å; A479-K491 PolarHBondContact O-N 2.76Å
480	F	68.4	Low	74.8	Confident	22 Å²	22	65.3 Å²	65.3	10%	0.096	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.9	173.1	-64	-92.3	0	0	0	111.1	T390 F391 L438 V440 V478 F487 C488 L489	T390-F480 WeakPolarHBondContact O-CD2 3.31Å; T390-F480 WeakPolarHBondContact O-CE2 3.49Å; F391-F480 HydrophobicContact CB-CD2 4.36Å; F391-F480 HydrophobicContact CB-CE2 4.44Å; F391-F480 AromaticContact CD1-CD2 3.56Å; F391-F480 HydrophobicContact CD1-CD2 3.56Å; F391-F480 AromaticContact CD1-CE2 3Å; F391-F480 HydrophobicContact CD1-CE2 3Å; F391-F480 AromaticContact CD1-CZ 3.61Å; F391-F480 HydrophobicContact CD1-CZ 3.61Å; F391-F480 HydrophobicContact CD2-CD2 4.25Å; F391-F480 AromaticContact CD2-CE2 3.64Å; F391-F480 HydrophobicContact CD2-CE2 3.64Å; F391-F480 AromaticContact CE1-CD2 3.9Å; F391-F480 HydrophobicContact CE1-CD2 3.9Å; F391-F480 HydrophobicContact CE1-CE1 4.2Å; F391-F480 AromaticContact CE1-CE2 2.88Å; F391-F480 HydrophobicContact CE1-CE2 2.88Å; F391-F480 AromaticContact CE1-CZ 3.04Å; F391-F480 HydrophobicContact CE1-CZ 3.04Å; F391-F480 AromaticContact CE2-CE2 3.56Å; F391-F480 HydrophobicContact CE2-CE2 3.56Å; F391-F480 HydrophobicContact CE2-CZ 4.22Å; F391-F480 AromaticContact CG-CD2 3.76Å; F391-F480 HydrophobicContact CG-CD2 3.76Å; F391-F480 AromaticContact CG-CE2 3.39Å; F391-F480 HydrophobicContact CG-CE2 3.39Å; F391-F480 HydrophobicContact CG-CZ 4.39Å; F391-F480 HydrophobicContact CZ-CD2 4.39Å; F391-F480 AromaticContact CZ-CE2 3.18Å; F391-F480 HydrophobicContact CZ-CE2 3.18Å; F391-F480 AromaticContact CZ-CZ 3.41Å; F391-F480 HydrophobicContact CZ-CZ 3.41Å; F391-F480 VanDerWaalsContact CZ-CZ 3.41Å; L438-F480 HydrophobicContact CD2-CE1 3.65Å; L438-F480 HydrophobicContact CD2-CZ 4.49Å; V440-F480 HydrophobicContact CG2-CZ 4.25Å; V478-F480 HydrophobicContact CG1-CE2 3.56Å; V478-F480 HydrophobicContact CG1-CZ 3.85Å; F480-F487 HydrophobicContact CB-CD1 4.22Å; F480-C488 WeakPolarHBondContact CA-O 3.24Å; F480-L489 HydrophobicContact CD1-CB 4.45Å; F480-L489 HydrophobicContact CD1-CD1 4.33Å; F480-L489 HydrophobicContact CE1-CB 4.1Å; F480-L489 HydrophobicContact CE1-CD1 3.67Å; F480-L489 HydrophobicContact CE2-CD1 4.14Å; F480-L489 HydrophobicContact CZ-CD1 3.55Å
481	K	67.5	Low	74.1	Confident	139 Å²	139	65.6 Å²	65.6	60%	0.604	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.9	167.2	-79.6	173.2	-172.5	-177	0	109.1	C488 S490	K481-C488 PolarHBondContact N-O 3.03Å; K481-C488 PolarHBondContact O-N 2.82Å; K481-S490 VanDerWaalsContact CD-CB 3.49Å
482	N	61.7	Low	73.7	Confident	75 Å²	75	67 Å²	67	40%	0.401	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.6	170.7	-167.4	-5	0	0	0	109.1	Q394 G484 F487	Q394-N482 PolarHBondContact OE1-ND2 2.86Å; Q394-N482 VanDerWaalsContact OE1-ND2 3.08Å; N482-G484 PolarHBondContact OD1-N 2.86Å; N482-G484 PolarHBondContact OD1-O 2.89Å; N482-F487 HydrophobicContact CB-CE1 4.48Å
483	K	55.6	Low	73.4	Confident	150 Å²	150	68.2 Å²	68.2	65%	0.652	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	78.2	169.5	-75.3	-170.2	177.3	-177.8	0	108.6	R485 S486	K483-R485 PolarHBondContact O-N 3.08Å; K483-S486 CarbonylContact C-O 3.59Å; K483-S486 PolarHBondContact N-O 2.84Å; K483-S486 PolarHBondContact O-N 2.84Å
484	G	62.9	Low	73.2	Confident	71 Å²	71	70.3 Å²	70.3	73%	0.732	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-98.6	175.5	0	0	0	0	0	113.2	N482	N482-G484 PolarHBondContact OD1-N 2.86Å; N482-G484 PolarHBondContact OD1-O 2.89Å
485	R	55.6	Low	73	Confident	256 Å²	256	76.1 Å²	76.1	97%	0.966	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-9	176.9	-75.9	-173.6	177.4	171.7	0.5	114.2	K483	K483-R485 PolarHBondContact O-N 3.08Å
486	S	54.6	Low	72.8	Confident	58 Å²	58	73.6 Å²	73.6	41%	0.406	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129	-177.2	-175.3	0	0	0	0	111.4	K483	K483-S486 CarbonylContact C-O 3.59Å; K483-S486 PolarHBondContact N-O 2.84Å; K483-S486 PolarHBondContact O-N 2.84Å
487	F	61	Low	72.6	Confident	38 Å²	38	74.7 Å²	74.7	17%	0.167	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.9	164.3	-90.5	-93.1	0	0	0	108.6	A397 L435 F480 N482	A397-F487 HydrophobicContact CB-CD1 4.22Å; A397-F487 HydrophobicContact CB-CD2 4.46Å; A397-F487 HydrophobicContact CB-CE1 3.85Å; A397-F487 HydrophobicContact CB-CE2 4.08Å; A397-F487 HydrophobicContact CB-CZ 3.77Å; L435-F487 HydrophobicContact CD1-CB 4.19Å; L435-F487 HydrophobicContact CD1-CD2 3.54Å; L435-F487 HydrophobicContact CD1-CE2 4.2Å; L435-F487 HydrophobicContact CD1-CG 4.07Å; L435-F487 HydrophobicContact CD2-CB 3.96Å; L435-F487 HydrophobicContact CD2-CD2 4.17Å; L435-F487 HydrophobicContact CG-CD2 4.45Å; F480-F487 HydrophobicContact CB-CD1 4.22Å; N482-F487 HydrophobicContact CB-CE1 4.48Å
488	C	64.7	Low	72.5	Confident	45 Å²	45	79.8 Å²	79.8	30%	0.304	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.2	174.9	-63.8	0	0	0	0	110.3	F480 K481 S490	F480-C488 WeakPolarHBondContact CA-O 3.24Å; K481-C488 PolarHBondContact N-O 3.03Å; K481-C488 PolarHBondContact O-N 2.82Å; C488-S490 PolarHBondContact O-N 2.69Å
489	L	70.3	Confident	72.4	Confident	65 Å²	65	81 Å²	81	34%	0.34	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	123.2	165.6	-177.1	67	0	0	0	108.6	L438 V440 V478 F480 K491 A492	L438-L489 HydrophobicContact CD2-CB 4.34Å; V440-L489 HydrophobicContact CG1-CD1 4.14Å; V478-L489 HydrophobicContact CG1-CD1 3.57Å; F480-L489 HydrophobicContact CD1-CB 4.45Å; F480-L489 HydrophobicContact CD1-CD1 4.33Å; F480-L489 HydrophobicContact CE1-CB 4.1Å; F480-L489 HydrophobicContact CE1-CD1 3.67Å; F480-L489 HydrophobicContact CE2-CD1 4.14Å; F480-L489 HydrophobicContact CZ-CD1 3.55Å; L489-K491 WeakPolarHBondContact CD1-O 3.35Å; L489-A492 HydrophobicContact CD1-CB 4.19Å; L489-A492 HydrophobicContact CD2-CB 3.87Å; L489-A492 HydrophobicContact CG-CB 4.4Å
490	S	67.4	Low	71.8	Confident	48 Å²	48	84.7 Å²	84.7	34%	0.336	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-25.4	-179.2	72.5	0	0	0	0	113.5	A479 K481 C488	A479-S490 VanDerWaalsContact CB-OG 3.31Å; A479-S490 WeakPolarHBondContact CB-OG 3.43Å; A479-S490 WeakPolarHBondContact O-CA 3.25Å; A479-S490 WeakPolarHBondContact O-CB 3.4Å; A479-S490 PolarHBondContact O-N 3.15Å; A479-S490 PolarHBondContact O-OG 2.8Å; K481-S490 VanDerWaalsContact CD-CB 3.49Å; C488-S490 PolarHBondContact O-N 2.69Å
491	K	75	Confident	70.7	Confident	76 Å²	76	88.4 Å²	88.4	33%	0.33	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	136.4	177.8	-171.2	179	169.9	-156.3	0	108.2	D477 V478 A479 L489 K493	D477-K491 IonicContact OD1-NZ 3.18Å; D477-K491 PolarHBondContact OD1-NZ 3.43Å; D477-K491 VanDerWaalsContact OD1-NZ 3.1Å; D477-K491 WeakPolarHBondContact OD2-CE 3.35Å; D477-K491 IonicContact OD2-NZ 3.84Å; D477-K491 PolarHBondContact OD2-NZ 3.47Å; V478-K491 CarbonylContact C-O 3.56Å; V478-K491 VanDerWaalsContact CA-O 3.26Å; V478-K491 WeakPolarHBondContact CA-O 3.5Å; A479-K491 HydrophobicContact CB-CB 3.93Å; A479-K491 PolarHBondContact N-O 2.94Å; A479-K491 PolarHBondContact O-N 2.76Å; L489-K491 WeakPolarHBondContact CD1-O 3.35Å; K491-K493 HydrophobicContact CG-CG 4.15Å
492	A	82.2	Confident	69.1	Low	40 Å²	40	88.3 Å²	88.3	33%	0.331	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	114.8	162.4	0	0	0	0	0	106.3	V440 I441 V478 L489	V440-A492 HydrophobicContact CG1-CB 4.31Å; I441-A492 HydrophobicContact CD1-CB 4.31Å; I441-A492 HydrophobicContact CG1-CB 3.97Å; V478-A492 HydrophobicContact CG1-CB 4.48Å; L489-A492 HydrophobicContact CD1-CB 4.19Å; L489-A492 HydrophobicContact CD2-CB 3.87Å; L489-A492 HydrophobicContact CG-CB 4.4Å
493	K	85.4	Confident	67.6	Low	113 Å²	113	89.7 Å²	89.7	49%	0.491	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.9	175	-66.1	-167.9	-179.7	-170.5	0	108.7	D477 K491	D477-K493 HydrophobicContact CB-CB 4.34Å; D477-K493 PolarHBondContact N-O 3.16Å; D477-K493 PolarHBondContact O-N 3.04Å; K491-K493 HydrophobicContact CG-CG 4.15Å
494	V	89.5	Confident	66.3	Low	51 Å²	51	90.8 Å²	90.8	31%	0.309	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.3	172.5	-175.3	0	0	0	0	106.3	I441 L474 K475 L476	I441-V494 HydrophobicContact CB-CG2 4.42Å; I441-V494 HydrophobicContact CD1-CG2 3.47Å; I441-V494 VanDerWaalsContact CD1-CG2 3.47Å; I441-V494 HydrophobicContact CG1-CG2 3.83Å; I441-V494 HydrophobicContact CG2-CG2 3.68Å; L474-V494 HydrophobicContact CB-CG1 3.88Å; L474-V494 HydrophobicContact CD1-CG1 3.82Å; L474-V494 HydrophobicContact CD2-CG1 4.27Å; L474-V494 HydrophobicContact CG-CG1 4.22Å; K475-V494 WeakPolarHBondContact O-CA 3.33Å; L476-V494 HydrophobicContact CD2-CG1 4.32Å; L476-V494 HydrophobicContact CD2-CG2 3.86Å
495	K	89.8	Confident	64.5	Low	132 Å²	132	95.1 Å²	95.1	57%	0.574	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.2	175.2	-66.4	-172.7	177.9	-172.7	0	109.5	L474 K475	L474-K495 CarbonylContact C-O 3.53Å; L474-K495 WeakPolarHBondContact CA-O 3.44Å; K475-K495 PolarHBondContact N-O 3.31Å; K475-K495 PolarHBondContact O-N 3.1Å
496	P	88	Confident	63.1	Low	67 Å²	67	88.4 Å²	88.4	44%	0.435	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	139.4	167.4	28.4	-32.9	0	0	0	109.4	L474	L474-P496 HydrophobicContact CD2-CB 4.33Å
497	V	86.8	Confident	61.7	Low	35 Å²	35	93.2 Å²	93.2	21%	0.212	52%	0.516	C	S	.	.			trans	-82.5	113.8	167.6	-179.8	0	0	0	0	106.7	F462 L473 K475 W499	F462-V497 HydrophobicContact CD1-CG2 4.43Å; F462-V497 HydrophobicContact CE1-CG2 4.38Å; L473-V497 HydrophobicContact CB-CB 4.33Å; L473-V497 HydrophobicContact CD2-CB 3.98Å; L473-V497 HydrophobicContact CD2-CG1 4.15Å; L473-V497 HydrophobicContact CD2-CG2 3.93Å; L473-V497 HydrophobicContact CG-CB 4.17Å; L473-V497 HydrophobicContact CG-CG2 3.96Å; L473-V497 PolarHBondContact O-N 3.38Å; K475-V497 HydrophobicContact CB-CG2 3.85Å; V497-W499 HydrophobicContact CG1-CZ2 4.42Å
498	E	81.4	Confident	60	Low	171 Å²	171	97.3 Å²	97.3	80%	0.799	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-103.9	116.5	174.5	-68.1	-179.3	177.9	0	0	108.4
499	W	78	Confident	58	Low	35 Å²	35	98.3 Å²	98.3	13%	0.133	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-84.8	121.1	172.9	-57.6	-63.3	0	0	0	109	L473 V497 V587 M615 V617 G620	L473-W499 HydrophobicContact CB-CH2 4.22Å; L473-W499 HydrophobicContact CB-CZ2 4.4Å; L473-W499 HydrophobicContact CD2-CH2 4.23Å; L473-W499 HydrophobicContact CD2-CZ2 3.63Å; V497-W499 HydrophobicContact CG1-CZ2 4.42Å; W499-V587 HydrophobicContact CH2-CG2 4.38Å; W499-V587 HydrophobicContact CZ3-CG2 3.85Å; W499-M615 HydrophobicContact CE3-CE 4.45Å; W499-M615 HydrophobicContact CH2-CE 3.17Å; W499-M615 HydrophobicContact CH2-SD 4.33Å; W499-M615 HydrophobicContact CZ2-CE 3.73Å; W499-M615 HydrophobicContact CZ3-CE 3.59Å; W499-V617 PolarHBondContact NE1-O 3.34Å; W499-G620 VanDerWaalsContact CD2-CA 3.49Å; W499-G620 VanDerWaalsContact NE1-N 3.2Å
500	S	61.1	Low	55.7	Low	91 Å²	91	100.8 Å²	100.8	64%	0.636	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-74.7	129.1	172.3	51.7	0	0	0	0	109.9	N502	S500-N502 PolarHBondContact O-N 2.77Å
501	S	46.4	Very low	53.6	Low	100 Å²	100	105.3 Å²	105.3	70%	0.699	62%	0.615	S	S	*	*			trans	-70.4	83.7	164.8	160.5	0	0	0	0	108.5
502	N	33.8	Very low	51.2	Low	138 Å²	138	112.1 Å²	112.1	74%	0.738	65%	0.645	S	S	*	*			trans	-117.8	92.2	172.6	-86.1	-1.1	0	0	0	109.8	S500	S500-N502 PolarHBondContact O-N 2.77Å
503	S	29.7	Very low	48.5	Very low	104 Å²	104	115.3 Å²	115.3	73%	0.727	66%	0.664	S	S	*	*	S	Bend	trans	-178.6	134.1	144.2	39	0	0	0	0	109.9
504	H	28.3	Very low	45.4	Very low	172 Å²	172	121.4 Å²	121.4	80%	0.796	68%	0.684	S	S	*	*	S	Bend	trans	84.3	61.3	-173.4	-54.6	-77.3	0	0	0	116.6
505	D	26	Very low	42.3	Very low	163 Å²	163	126.2 Å²	126.2	87%	0.872	71%	0.709	S	S	*	*			trans	-160.3	69.8	135	-96.2	-18.5	0	0	0	109
506	S	24.9	Very low	39.2	Very low	115 Å²	115	129.2 Å²	129.2	80%	0.804	72%	0.722	S	S	*	*	S	Bend	trans	-126.7	36.5	165.6	72.3	0	0	0	0	111.1
507	I	26.8	Very low	35.9	Very low	158 Å²	158	137.6 Å²	137.6	81%	0.81	75%	0.745	S	S	*	*	S	Bend	trans	-144.8	72.7	163.4	-51.7	175	0	0	0	107.7
508	C	23.7	Very low	32.9	Very low	125 Å²	125	142.2 Å²	142.2	85%	0.845	77%	0.773	S	S	*	*			trans	-159.7	101.1	153.9	-102.3	0	0	0	0	107.1
509	G	22.7	Very low	29.9	Very low	66 Å²	66	144.4 Å²	144.4	68%	0.68	77%	0.773	S	S	*	*			trans	-63.8	148.4	-176.4	0	0	0	0	0	113
510	S	22	Very low	27.2	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	81%	0.81	S	S	*	*			trans	34.1	99.2	140.5	64.1	0	0	0	0	117.5
511	T	24	Very low	25.3	Very low	143 Å²	143	153 Å²	153	88%	0.877	81%	0.814	S	S	*	*			trans	-146.3	123.7	132	24.9	0	0	0	0	109.7	S513	T511-S513 PolarHBondContact O-N 3.21Å
512	K	23.9	Very low	24	Very low	218 Å²	218	152.8 Å²	152.8	95%	0.948	81%	0.812	S	S	*	*			trans	-61.2	112.6	176.5	-66.1	168.1	176.2	171.9	0	109
513	S	26.2	Very low	23.4	Very low	107 Å²	107	158.9 Å²	158.9	75%	0.748	83%	0.825	S	S	*	*			trans	-128.8	107.7	158.7	-167.4	0	0	0	0	109.7	T511 N515	T511-S513 PolarHBondContact O-N 3.21Å; S513-N515 PolarHBondContact O-N 3.19Å
514	R	21	Very low	22.9	Very low	241 Å²	241	158.1 Å²	158.1	91%	0.909	82%	0.82	S	S	*	*			trans	-56.8	114.7	166.7	-82.6	169.7	156.8	150.5	-7.6	107.6
515	N	24.9	Very low	22.7	Very low	153 Å²	153	159 Å²	159	82%	0.818	82%	0.822	S	S	*	*			trans	-142.6	137.6	148	-95.7	-27	0	0	0	111.3	S513	S513-N515 PolarHBondContact O-N 3.19Å
516	K	23.4	Very low	22.5	Very low	195 Å²	195	156.1 Å²	156.1	85%	0.848	81%	0.814	S	S	*	*			trans	-48.2	126.7	-161.3	-74	159.5	171.4	173.3	0	114.1	V518	K516-V518 PolarHBondContact O-N 2.78Å
517	R	19.8	Very low	22.4	Very low	243 Å²	243	155.7 Å²	155.7	92%	0.917	81%	0.811	S	S	*	*			trans	-55.5	111.7	154.4	-78.8	175.5	170.7	155.7	-3.7	108.6	R519	R517-R519 PolarHBondContact O-N 3.13Å
518	V	22.7	Very low	22.1	Very low	132 Å²	132	153.1 Å²	153.1	80%	0.8	81%	0.807	S	S	*	*			trans	-73.9	109.3	155.3	176.7	0	0	0	0	105.6	K516 L520	K516-V518 PolarHBondContact O-N 2.78Å; V518-L520 PolarHBondContact O-N 2.81Å
519	R	17.7	Very low	22.1	Very low	216 Å²	216	153.8 Å²	153.8	82%	0.815	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.9	116.9	167.8	-87	179.6	163.4	115.2	-6.6	107	R517	R517-R519 PolarHBondContact O-N 3.13Å
520	L	21.6	Very low	22	Very low	171 Å²	171	157.3 Å²	157.3	90%	0.895	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-94.5	118.3	149.2	-132.3	84.2	0	0	0	105.2	V518	V518-L520 PolarHBondContact O-N 2.81Å
521	D	21.5	Very low	22	Very low	136 Å²	136	156.9 Å²	156.9	73%	0.727	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-60.6	139.2	-167.9	-80.4	-41	0	0	0	113	W523	D521-W523 PolarHBondContact O-N 3.28Å
522	S	19.5	Very low	22	Very low	95 Å²	95	155.2 Å²	155.2	66%	0.664	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.6	120.8	169.2	52.4	0	0	0	0	110.5
523	W	20.9	Very low	22	Very low	266 Å²	266	149.5 Å²	149.5	100%	1.008	79%	0.79	S	S	*	*			trans	-99.6	104	152.2	-91.1	-16.5	0	0	0	110.9	D521	D521-W523 PolarHBondContact O-N 3.28Å
524	S	20.3	Very low	22	Very low	89 Å²	89	153.7 Å²	153.7	62%	0.622	80%	0.797	S	S	*	*			trans	-108.4	126.9	163.8	63.8	0	0	0	0	108.7
525	K	22.7	Very low	22.2	Very low	190 Å²	190	147.6 Å²	147.6	83%	0.826	79%	0.787	S	S	*	*				149.5	146.6	123.5	-85.2	-179.2	178.1	177.3	0	113.7
526	S	22.3	Very low	22.3	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	78%	0.781	S	S	*	*			trans	60.2	104.1	155.3	57.2	0	0	0	0	117.4
527	S	22.1	Very low	22.3	Very low	106 Å²	106	144.1 Å²	144.1	74%	0.741	78%	0.778	S	S	*	*				79.1	118.8	74.1	74.5	0	0	0	0	114.9
528	S	22.1	Very low	22.6	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	77%	0.767	S	S	*	*			trans	89.5	122.6	158.3	76.1	0	0	0	0	119.7
529	N	22.2	Very low	22.7	Very low	139 Å²	139	138 Å²	138	74%	0.743	76%	0.763	S	S	*	*			trans	80.9	98.3	149.1	-60.9	-10.4	0	0	0	119.8	S531	N529-S531 PolarHBondContact O-N 3.43Å
530	T	21.5	Very low	23	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	77%	0.765	S	S	*	*				12.4	94.5	127.6	52.1	0	0	0	0	116.9
531	S	21.9	Very low	23.2	Very low	109 Å²	109	136.6 Å²	136.6	76%	0.762	76%	0.761	S	S	*	*			trans	-165.5	138.6	134.7	50.5	0	0	0	0	108.8	N529	N529-S531 PolarHBondContact O-N 3.43Å
532	S	24.8	Very low	23.4	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	76%	0.761	S	S	*	*			trans	-18.7	151.5	159.2	49	0	0	0	0	117.7
533	S	23.5	Very low	23.9	Very low	99 Å²	99	137 Å²	137	69%	0.692	75%	0.754	S	S	*	*			trans	91.4	84.3	165	82.5	0	0	0	0	117.2
534	E	26.4	Very low	24.1	Very low	194 Å²	194	132.1 Å²	132.1	91%	0.907	74%	0.742	S	S	*	*			trans	-112.8	78.5	139.1	-73.7	-178.4	176.8	0	0	106.5	E536	E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.76Å
535	T	24.3	Very low	24.6	Very low	113 Å²	113	133.5 Å²	133.5	69%	0.693	74%	0.743	S	S	*	*			trans	-71.2	98.2	154.7	44.4	0	0	0	0	105.7	T537	T535-T537 VanDerWaalsContact C-N 3.31Å; T535-T537 PolarHBondContact O-N 2.81Å
536	E	28.3	Very low	25.1	Very low	150 Å²	150	127.6 Å²	127.6	70%	0.701	73%	0.73	S	S	*	*			trans	-58.3	102.7	159.6	-75	178.9	161.2	0	0	106.6	E534 D538	E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.76Å; E536-D538 PolarHBondContact O-N 2.72Å
537	T	22.3	Very low	25.6	Very low	126 Å²	126	126.3 Å²	126.3	77%	0.773	72%	0.715	S	S	*	*			trans	-73.1	71.4	166.7	49.3	0	0	0	0	107.8	T535	T535-T537 VanDerWaalsContact C-N 3.31Å; T535-T537 PolarHBondContact O-N 2.81Å
538	D	27	Very low	26.2	Very low	129 Å²	129	124 Å²	124	69%	0.69	69%	0.694	S	S	*	*			trans	-102.3	114.9	164.8	-71.9	-25.4	0	0	0	106.4	E536	E536-D538 PolarHBondContact O-N 2.72Å
539	T	24.4	Very low	26.5	Very low	118 Å²	118	123 Å²	123	72%	0.724	68%	0.68	S	S	*	*			trans	-30.6	142	170.2	41.6	0	0	0	0	111.9	E541	T539-E541 PolarHBondContact O-N 3.46Å
540	E	23.4	Very low	26.7	Very low	182 Å²	182	122.7 Å²	122.7	85%	0.85	67%	0.674	S	S	*	*			trans	-50.2	81.7	170.8	-66.8	-172.9	159.5	0	0	110.7	I542	E540-I542 PolarHBondContact O-N 3.13Å
541	E	25.1	Very low	27.1	Very low	174 Å²	174	122.3 Å²	122.3	81%	0.813	66%	0.657	S	S	*	*			trans	-70.6	83.9	159.3	-78.5	-170.4	161.4	0	0	104.5	T539 L543	T539-E541 PolarHBondContact O-N 3.46Å; E541-L543 VanDerWaalsContact C-N 3.26Å; E541-L543 PolarHBondContact O-N 3.13Å
542	I	27.2	Very low	27.5	Very low	140 Å²	140	121.9 Å²	121.9	72%	0.718	64%	0.642	S	S	*	*			trans	-45.5	103.4	155.2	-61.9	167.6	0	0	0	104.5	E540 Q544	E540-I542 PolarHBondContact O-N 3.13Å; I542-Q544 PolarHBondContact O-N 3.02Å
543	L	29.6	Very low	27.6	Very low	101 Å²	101	119.9 Å²	119.9	53%	0.529	63%	0.626	S	S	.	*			trans	-44	109.1	176.3	-78.6	150.2	0	0	0	107.6	E541 D547 I548	E541-L543 VanDerWaalsContact C-N 3.26Å; E541-L543 PolarHBondContact O-N 3.13Å; L543-D547 HydrophobicContact CD2-CB 4.13Å; L543-I548 HydrophobicContact CB-CG1 4.35Å
544	Q	24.3	Very low	27.7	Very low	162 Å²	162	123.2 Å²	123.2	76%	0.757	63%	0.632	S	S	*	*			trans	-61.4	141.5	179.1	-85	178	-13.5	0	0	108.7	I542 A546 D547	I542-Q544 PolarHBondContact O-N 3.02Å; Q544-A546 PolarHBondContact O-N 3.06Å; Q544-D547 PolarHBondContact O-N 2.95Å
545	D	32	Very low	27.8	Very low	118 Å²	118	121.5 Å²	121.5	63%	0.631	63%	0.629	S	S	*	*	H	α-helix	trans	-47.6	-23.5	-169.8	-66.9	-48.1	0	0	0	115.6	L549	D545-L549 WeakPolarHBondContact O-CD1 3.35Å; D545-L549 WeakPolarHBondContact O-CG 3.42Å; D545-L549 PolarHBondContact O-N 2.58Å; D545-L549 VanDerWaalsContact O-N 3.09Å
546	A	33	Very low	27.8	Very low	67 Å²	67	124.7 Å²	124.7	55%	0.554	63%	0.634	S	S	*	*	H	α-helix	trans	-65.2	-36.2	175.2	0	0	0	0	0	113.4	Q544 L549 Q550	Q544-A546 PolarHBondContact O-N 3.06Å; A546-L549 PolarHBondContact O-N 3.03Å; A546-Q550 PolarHBondContact O-N 3.04Å
547	D	33.2	Very low	27.8	Very low	76 Å²	76	122.5 Å²	122.5	41%	0.406	64%	0.635	S	S	.	*	H	α-helix	trans	-73	-38.9	178	-72.5	-23.7	0	0	0	110.7	L543 Q544 L549 Q550 Y551	L543-D547 HydrophobicContact CD2-CB 4.13Å; Q544-D547 PolarHBondContact O-N 2.95Å; D547-L549 VanDerWaalsContact C-N 3.28Å; D547-L549 PolarHBondContact O-N 3.01Å; D547-Q550 PolarHBondContact O-N 3.01Å; D547-Y551 WeakPolarHBondContact O-CD2 3.1Å; D547-Y551 PolarHBondContact O-N 3.06Å; D547-Y551 VanDerWaalsContact O-N 3.07Å
548	I	34.7	Very low	28	Very low	58 Å²	58	123.6 Å²	123.6	30%	0.297	64%	0.635	S	S	.	*	H	α-helix	trans	-64.1	-35.7	175.6	-57.5	174.7	0	0	0	110.7	L543 Y551	L543-I548 HydrophobicContact CB-CG1 4.35Å; I548-Y551 PolarHBondContact O-N 2.92Å
549	L	27.7	Very low	27.7	Very low	82 Å²	82	126.7 Å²	126.7	43%	0.429	65%	0.645	S	S	.	*	H	α-helix	trans	-71.8	-39.4	176	-77.9	163	0	0	0	112.5	D545 A546 D547 Y551 F552 T553	D545-L549 WeakPolarHBondContact O-CD1 3.35Å; D545-L549 WeakPolarHBondContact O-CG 3.42Å; D545-L549 PolarHBondContact O-N 2.58Å; D545-L549 VanDerWaalsContact O-N 3.09Å; A546-L549 PolarHBondContact O-N 3.03Å; D547-L549 VanDerWaalsContact C-N 3.28Å; D547-L549 PolarHBondContact O-N 3.01Å; L549-Y551 PolarHBondContact O-N 3.08Å; L549-F552 PolarHBondContact O-N 2.66Å; L549-T553 PolarHBondContact O-N 2.93Å; L549-T553 PolarHBondContact O-OG1 2.89Å
550	Q	26.9	Very low	27.8	Very low	132 Å²	132	128.4 Å²	128.4	62%	0.617	65%	0.649	S	S	*	*	H	α-helix	trans	-64.3	-27.8	172.3	-89.7	-172.2	-4.4	0	0	113	A546 D547	A546-Q550 PolarHBondContact O-N 3.04Å; D547-Q550 PolarHBondContact O-N 3.01Å
551	Y	29.6	Very low	27.9	Very low	131 Å²	131	125.2 Å²	125.2	51%	0.514	65%	0.647	S	S	.	*	H	α-helix	trans	-71.6	-27.9	177.8	-83.4	-60.1	0	0	0	114.8	D547 I548 L549	D547-Y551 WeakPolarHBondContact O-CD2 3.1Å; D547-Y551 PolarHBondContact O-N 3.06Å; D547-Y551 VanDerWaalsContact O-N 3.07Å; I548-Y551 PolarHBondContact O-N 2.92Å; L549-Y551 PolarHBondContact O-N 3.08Å
552	F	30.7	Very low	27.8	Very low	101 Å²	101	121 Å²	121	44%	0.443	65%	0.65	S	S	.	*	H	α-helix	trans	-118.5	-6.2	-173.5	-70.7	-76.3	0	0	0	114.9	I91 L549	I91-F552 HydrophobicContact CD1-CD1 3.93Å; I91-F552 HydrophobicContact CD1-CE1 3.92Å; L549-F552 PolarHBondContact O-N 2.66Å
553	T	27.1	Very low	27.8	Very low	65 Å²	65	117.9 Å²	117.9	40%	0.399	65%	0.653	S	S	.	*			trans	-126.1	68.3	169.2	64.4	0	0	0	0	111	L549 D555	L549-T553 PolarHBondContact O-N 2.93Å; L549-T553 PolarHBondContact O-OG1 2.89Å; T553-D555 PolarHBondContact O-N 3.41Å
554	M	25.6	Very low	27.6	Very low	169 Å²	169	122.8 Å²	122.8	83%	0.833	67%	0.67	S	S	*	*			trans	-78	75.1	160.2	-79.2	-78.4	-98.5	0	0	108.4
555	D	26.6	Very low	27.6	Very low	158 Å²	158	122.2 Å²	122.2	85%	0.845	67%	0.672	S	S	*	*			trans	178.9	58.1	148.8	-92.4	-12.4	0	0	0	109.3	T553	T553-D555 PolarHBondContact O-N 3.41Å
556	K	25.9	Very low	27.4	Very low	180 Å²	180	125.8 Å²	125.8	78%	0.783	69%	0.685	S	S	*	*	S	Bend	trans	-120.5	92.5	149.6	-77	-174.5	179.3	174.3	0	106.6	L558	K556-L558 PolarHBondContact O-N 3.34Å
557	S	27.3	Very low	27.1	Very low	103 Å²	103	134.3 Å²	134.3	72%	0.72	70%	0.702	S	S	*	*			trans	-11.5	113.7	166	56	0	0	0	0	112.7	Q559	S557-Q559 PolarHBondContact O-N 2.89Å
558	L	27.6	Very low	26.7	Very low	150 Å²	150	142.8 Å²	142.8	79%	0.785	73%	0.729	S	S	*	*			trans	-39.8	108.1	169.2	-79.6	135	0	0	0	110.1	K556 L560	K556-L558 PolarHBondContact O-N 3.34Å; L558-L560 PolarHBondContact O-N 3.33Å
559	Q	20.8	Very low	26.2	Very low	194 Å²	194	146.8 Å²	146.8	91%	0.907	75%	0.75	S	S	*	*			trans	-69.5	84.9	163	-70.9	-170.3	-7.4	0	0	107.1	S557 S561	S557-Q559 PolarHBondContact O-N 2.89Å; Q559-S561 PolarHBondContact O-N 2.66Å
560	L	26.6	Very low	26.1	Very low	153 Å²	153	146.3 Å²	146.3	80%	0.801	75%	0.754	S	S	*	*			trans	-66.8	116.9	164.4	-83.9	153.7	0	0	0	107.6	L558	L558-L560 PolarHBondContact O-N 3.33Å
561	S	24	Very low	26.1	Very low	115 Å²	115	147.1 Å²	147.1	80%	0.804	76%	0.761	S	S	*	*	S	Bend	trans	-48.8	130.9	175.6	53.6	0	0	0	0	112.7	Q559	Q559-S561 PolarHBondContact O-N 2.66Å
562	G	24	Very low	26.1	Very low	86 Å²	86	149.5 Å²	149.5	89%	0.887	78%	0.777	S	S	*	*			trans	79.1	89.5	149.5	0	0	0	0	0	116.5
563	G	26.3	Very low	26	Very low	74 Å²	74	149.3 Å²	149.3	76%	0.763	78%	0.78	S	S	*	*			trans	-173.8	104.1	163.1	0	0	0	0	0	110.2
564	K	25.4	Very low	26	Very low	205 Å²	205	150.3 Å²	150.3	89%	0.891	78%	0.783	S	S	*	*			trans	-64.4	137.3	169.1	-72.7	177.5	175.7	177.8	0	108.1
565	D	25.4	Very low	26.2	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	77%	0.767	S	S	*	*			trans	74.4	120.2	172.5	-54.6	-31.5	0	0	0	117.4
566	Q	27.6	Very low	26.6	Very low	194 Å²	194	144 Å²	144	91%	0.907	76%	0.758	S	S	*	*			trans	126.3	114.2	144.8	-62	-172.9	10.7	0	0	116.2
567	R	25.9	Very low	26.8	Very low	245 Å²	245	140.2 Å²	140.2	93%	0.925	75%	0.75	S	S	*	*			trans	0.8	128	164.9	-73.8	174.3	171	168.1	-4	119.4
568	R	24.8	Very low	26.9	Very low	255 Å²	255	141.2 Å²	141.2	96%	0.962	74%	0.743	S	S	*	*			trans	-44.5	124.9	162	-65.4	171.4	174.8	172	-3.3	111.7
569	L	23.6	Very low	27.1	Very low	141 Å²	141	140.4 Å²	140.4	74%	0.738	74%	0.735	S	S	*	*			trans	-106.4	126.5	160.7	-71.5	165.8	0	0	0	107.7	D573	L569-D573 HydrophobicContact CB-CB 4.2Å; L569-D573 HydrophobicContact CD2-CB 3.83Å; L569-D573 WeakPolarHBondContact CD2-OD2 3.34Å
570	S	25.5	Very low	27.6	Very low	73 Å²	73	139.3 Å²	139.3	51%	0.51	73%	0.728	S	S	.	*			trans	-76.7	162.5	174.8	27.4	0	0	0	0	110.8	E572 D573	S570-E572 PolarHBondContact O-N 3.43Å; S570-D573 PolarHBondContact O-N 2.83Å
571	I	28.1	Very low	27.5	Very low	149 Å²	149	140.6 Å²	140.6	76%	0.764	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-56.7	-14.9	-179.6	-68	168.3	0	0	0	113.1	D573	I571-D573 VanDerWaalsContact C-N 3.33Å
572	E	29.9	Very low	27.8	Very low	181 Å²	181	142 Å²	142	85%	0.846	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-77.7	-11.1	174.3	-64.2	-177.7	165	0	0	114.2	S570	S570-E572 PolarHBondContact O-N 3.43Å
573	D	28.7	Very low	28.1	Very low	96 Å²	96	144.3 Å²	144.3	51%	0.513	72%	0.717	S	S	.	*	G	3₁₀ helix	trans	-101.7	8.1	-177.6	-66	-45.2	0	0	0	114.3	L569 S570 I571	L569-D573 HydrophobicContact CB-CB 4.2Å; L569-D573 HydrophobicContact CD2-CB 3.83Å; L569-D573 WeakPolarHBondContact CD2-OD2 3.34Å; S570-D573 PolarHBondContact O-N 2.83Å; I571-D573 VanDerWaalsContact C-N 3.33Å
574	L	27.1	Very low	28.8	Very low	87 Å²	87	143.9 Å²	143.9	46%	0.455	71%	0.706	S	S	.	*			trans	-88.2	120.7	-180	-71.9	165.6	0	0	0	111.2	E578	L574-E578 WeakPolarHBondContact CD2-OE2 3.43Å
575	S	29.9	Very low	30.2	Very low	73 Å²	73	138.5 Å²	138.5	51%	0.51	69%	0.686	S	S	.	*			trans	-66.5	145.1	176.4	57.7	0	0	0	0	112.6	T577 E578	S575-T577 PolarHBondContact O-N 3.3Å; S575-T577 PolarHBondContact OG-OG1 2.76Å; S575-E578 PolarHBondContact O-N 3.45Å
576	D	33.2	Very low	32.3	Very low	121 Å²	121	135.6 Å²	135.6	65%	0.647	67%	0.674	S	S	*	*	H	α-helix	trans	-43.7	-24.8	-178	-71.7	-23.2	0	0	0	116.3	K580	D576-K580 PolarHBondContact O-N 3.41Å
577	T	32	Very low	35.1	Very low	101 Å²	101	126.9 Å²	126.9	62%	0.62	63%	0.634	S	S	*	*	H	α-helix	trans	-74.9	-29.6	179.5	47.8	0	0	0	0	113.4	S575	S575-T577 PolarHBondContact O-N 3.3Å; S575-T577 PolarHBondContact OG-OG1 2.76Å
578	E	27.7	Very low	38	Very low	123 Å²	123	118.4 Å²	118.4	58%	0.575	61%	0.611	S	S	*	*	H	α-helix	trans	-81.2	-29.8	175.2	-67	-144.1	144.9	0	0	112.2	L574 S575 K580 K581	L574-E578 WeakPolarHBondContact CD2-OE2 3.43Å; S575-E578 PolarHBondContact O-N 3.45Å; E578-K580 PolarHBondContact O-N 2.97Å; E578-K581 PolarHBondContact O-N 3.41Å
579	Q	33.5	Very low	41.1	Very low	133 Å²	133	107.2 Å²	107.2	62%	0.621	57%	0.571	S	S	*	*	H	α-helix	trans	-61.2	-28.3	168.5	-94.3	172.8	-0.1	0	0	112.7
580	K	30.1	Very low	44.3	Very low	171 Å²	171	100.5 Å²	100.5	74%	0.743	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.4	-178.6	-77.5	178.4	178.4	176.2	0	115.3	D576 E578	D576-K580 PolarHBondContact O-N 3.41Å; E578-K580 PolarHBondContact O-N 2.97Å
581	K	25.7	Very low	47.3	Very low	180 Å²	180	98.8 Å²	98.8	78%	0.783	52%	0.524	S	S	*	.	S	Bend	trans	-90.3	-6.8	-176.9	-99.9	178.7	179.5	172.5	0	115.3	E578 N583	E578-K581 PolarHBondContact O-N 3.41Å; K581-N583 PolarHBondContact O-N 3.41Å; K581-N583 VanDerWaalsContact O-N 3.11Å
582	L	28.5	Very low	50.4	Low	146 Å²	146	91.9 Å²	91.9	76%	0.764	49%	0.488	S	S	*	.	S	Bend	trans	-81.1	86.2	166.8	-94.6	102	0	0	0	111.5
583	N	32.1	Very low	53.5	Low	133 Å²	133	83.7 Å²	83.7	71%	0.711	45%	0.45	S	S	*	.				54.6	119.7	126.6	-60.7	-29.1	0	0	0	119.8	K581	K581-N583 PolarHBondContact O-N 3.41Å; K581-N583 VanDerWaalsContact O-N 3.11Å
584	A	41.1	Very low	56.6	Low	66 Å²	66	79.9 Å²	79.9	55%	0.545	43%	0.432	S	S	.	.	S	Bend	trans	20.2	106.3	154.8	0	0	0	0	0	115.4	T586	A584-T586 VanDerWaalsContact C-N 3.29Å; A584-T586 PolarHBondContact O-N 2.81Å; A584-T586 PolarHBondContact O-OG1 3.4Å
585	I	53.8	Low	59.9	Low	91 Å²	91	76.2 Å²	76.2	47%	0.467	41%	0.412	S	S	.	.			trans	-36.6	90.1	-179.2	-57	166.2	0	0	0	110.3	V587	I585-V587 HydrophobicContact CG2-CG2 4.44Å; I585-V587 PolarHBondContact O-N 3.39Å
586	T	69.8	Low	63	Low	88 Å²	88	72.8 Å²	72.8	54%	0.54	39%	0.388	S	S	.	.			trans	-90.2	102	179.5	-61.2	0	0	0	0	104.3	R470 A584	R470-T586 HydrophobicContact CB-CG2 3.71Å; A584-T586 VanDerWaalsContact C-N 3.29Å; A584-T586 PolarHBondContact O-N 2.81Å; A584-T586 PolarHBondContact O-OG1 3.4Å
587	V	85.5	Confident	65.8	Low	12 Å²	12	68.4 Å²	68.4	7%	0.073	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-61.8	127.1	-178.9	-176.9	0	0	0	0	107.7	R470 T471 W499 I585 L604 M615	R470-V587 CarbonylContact C-O 3.54Å; R470-V587 WeakPolarHBondContact CA-O 3.44Å; R470-V587 WeakPolarHBondContact CB-O 3.38Å; T471-V587 HydrophobicContact CG2-CG1 4.25Å; T471-V587 PolarHBondContact N-O 3.46Å; W499-V587 HydrophobicContact CH2-CG2 4.38Å; W499-V587 HydrophobicContact CZ3-CG2 3.85Å; I585-V587 HydrophobicContact CG2-CG2 4.44Å; I585-V587 PolarHBondContact O-N 3.39Å; V587-L604 HydrophobicContact CG1-CD1 4.27Å; V587-L604 HydrophobicContact CG1-CD2 4.11Å; V587-M615 HydrophobicContact CG2-CE 3.88Å; V587-M615 HydrophobicContact CG2-SD 4.11Å
588	P	88	Confident	68.6	Low	67 Å²	67	69.2 Å²	69.2	44%	0.435	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-60.5	163.4	-179.1	24.9	-34.6	0	0	0	111.6	T471 S590 T606	T471-P588 WeakPolarHBondContact CB-O 3.33Å; T471-P588 PolarHBondContact N-O 2.94Å; T471-P588 PolarHBondContact OG1-O 2.8Å; P588-S590 PolarHBondContact O-N 2.94Å; P588-S590 PolarHBondContact O-OG 2.87Å; P588-T606 HydrophobicContact CG-CG2 3.81Å
589	P	89.4	Confident	71.7	Confident	20 Å²	20	63.8 Å²	63.8	13%	0.13	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-59.9	134.1	176	26.6	-35.6	0	0	0	111	S466 D467 Q607	S466-P589 WeakPolarHBondContact OG-CA 3.47Å; D467-P589 VanDerWaalsContact O-CB 3.29Å; D467-P589 WeakPolarHBondContact O-CB 3.21Å; P589-Q607 PolarHBondContact O-N 3.03Å
590	S	91	Very high	74.5	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.2	-174.7	-54.7	0	0	0	0	111.1	S466 T471 P588 V605	S466-S590 WeakPolarHBondContact CB-O 3.4Å; S466-S590 PolarHBondContact OG-N 2.78Å; S466-S590 PolarHBondContact OG-O 2.84Å; T471-S590 WeakPolarHBondContact OG1-CB 3.29Å; T471-S590 PolarHBondContact OG1-N 2.87Å; T471-S590 PolarHBondContact OG1-OG 2.77Å; P588-S590 PolarHBondContact O-N 2.94Å; P588-S590 PolarHBondContact O-OG 2.87Å; S590-V605 CarbonylContact C-O 3.56Å; S590-V605 WeakPolarHBondContact CA-O 3.01Å; S590-V605 WeakPolarHBondContact CB-O 3.18Å
591	C	88.9	Confident	77.6	Confident	37 Å²	37	56.4 Å²	56.4	25%	0.25	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-27.2	178.1	58.8	0	0	0	0	112.7	K453 V605	K453-C591 WeakPolarHBondContact CD-O 3.44Å; K453-C591 WeakPolarHBondContact CG-O 3.45Å; C591-V605 PolarHBondContact N-O 2.96Å; C591-V605 PolarHBondContact SG-O 2.84Å; C591-V605 VanDerWaalsContact SG-O 3.34Å
592	L	92.9	Very high	80.9	Confident	4 Å²	4	48 Å²	48	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.1	174.9	-58.1	174.1	0	0	0	110.2	L604 V605 A638 H639 M641	L592-L604 CarbonylContact O-C 3.51Å; L592-L604 VanDerWaalsContact O-CA 3.27Å; L592-L604 WeakPolarHBondContact O-CA 3.31Å; L592-V605 HydrophobicContact CB-CB 3.99Å; L592-V605 HydrophobicContact CB-CG2 4.07Å; L592-V605 HydrophobicContact CD1-CB 4.34Å; L592-V605 HydrophobicContact CD1-CG2 4.09Å; L592-V605 HydrophobicContact CG-CB 4.42Å; L592-V605 PolarHBondContact O-N 3.41Å; L592-A638 HydrophobicContact CD1-CB 3.79Å; L592-A638 WeakPolarHBondContact CD1-O 3.44Å; L592-H639 WeakPolarHBondContact CD2-O 3.19Å; L592-M641 HydrophobicContact CB-CB 4.39Å; L592-M641 HydrophobicContact CB-CE 4.06Å; L592-M641 HydrophobicContact CD1-CB 4.28Å
593	M	94.2	Very high	84.1	Confident	9 Å²	9	41 Å²	41	4%	0.044	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	139.2	177.8	-60.9	-176.6	-72.9	0	0	110.3	K453 V464 T471 L603 L604	K453-M593 HydrophobicContact CB-CE 3.61Å; K453-M593 HydrophobicContact CG-CE 4.06Å; K453-M593 WeakPolarHBondContact O-CE 3.45Å; V464-M593 HydrophobicContact CB-SD 4.37Å; V464-M593 HydrophobicContact CG1-CB 4.15Å; V464-M593 HydrophobicContact CG1-CE 4.29Å; V464-M593 HydrophobicContact CG1-SD 3.93Å; V464-M593 HydrophobicContact CG2-SD 3.59Å; V464-M593 VanDerWaalsContact CG2-SD 3.59Å; T471-M593 HydrophobicContact CG2-SD 3.48Å; T471-M593 WeakPolarHBondContact CG2-SD 3.41Å; M593-L603 CarbonylContact C-O 3.51Å; M593-L603 VanDerWaalsContact CA-O 3.3Å; M593-L603 WeakPolarHBondContact CA-O 3.36Å; M593-L604 HydrophobicContact CG-CB 4.27Å
594	A	94.9	Very high	87.1	Confident	16 Å²	16	34.8 Å²	34.8	13%	0.132	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	147.4	173.1	0	0	0	0	0	110.1	L603 M641 V643	A594-L603 PolarHBondContact N-O 2.86Å; A594-L603 WeakPolarHBondContact O-CB 3.36Å; A594-L603 PolarHBondContact O-N 2.59Å; A594-M641 HydrophobicContact CB-CE 3.53Å; A594-M641 HydrophobicContact CB-CG 4.35Å; A594-M641 HydrophobicContact CB-SD 4.25Å; A594-V643 HydrophobicContact CB-CG2 3.91Å
595	F	96.2	Very high	89.6	Confident	10 Å²	10	31.7 Å²	31.7	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	149.7	170.5	-71	-87.8	0	0	0	110.4	F462 V464 L473 L602 V617	F462-F595 HydrophobicContact CB-CE1 4.32Å; F462-F595 HydrophobicContact CB-CZ 4.07Å; V464-F595 HydrophobicContact CB-CE2 4.05Å; V464-F595 HydrophobicContact CB-CZ 3.92Å; V464-F595 HydrophobicContact CG1-CE2 3.6Å; V464-F595 HydrophobicContact CG1-CZ 3.96Å; L473-F595 HydrophobicContact CD1-CE1 4.05Å; L473-F595 HydrophobicContact CD1-CZ 3.74Å; F595-L602 HydrophobicContact CD1-CB 4.39Å; F595-L602 HydrophobicContact CD1-CD1 4.11Å; F595-L602 HydrophobicContact CD2-CD1 4.31Å; F595-L602 HydrophobicContact CE1-CB 4.32Å; F595-L602 HydrophobicContact CE1-CD1 3.96Å; F595-L602 HydrophobicContact CE2-CD1 4.17Å; F595-L602 HydrophobicContact CG-CD1 4.29Å; F595-L602 HydrophobicContact CZ-CD1 4Å; F595-V617 HydrophobicContact CD1-CG2 4.11Å; F595-V617 HydrophobicContact CE1-CG2 3.94Å
596	T	95.1	Very high	91.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	16%	0.155	C	C	.	.			trans	-63	153.1	161.7	49.5	0	0	0	0	110.6	K598 S599 E600 H601 L603 Y652	T596-K598 PolarHBondContact O-N 2.98Å; T596-K598 VanDerWaalsContact O-N 3.14Å; T596-S599 WeakPolarHBondContact O-CA 3.46Å; T596-S599 PolarHBondContact O-N 3.07Å; T596-E600 PolarHBondContact OG1-N 2.82Å; T596-H601 HydrophobicContact CG2-CB 3.86Å; T596-H601 PolarHBondContact N-O 2.68Å; T596-H601 PolarHBondContact OG1-N 3.44Å; T596-H601 PolarHBondContact OG1-O 3.33Å; T596-L603 HydrophobicContact CG2-CD1 4.49Å; T596-Y652 HydrophobicContact CG2-CD2 4.3Å
597	P	91.8	Very high	92	Very high	28 Å²	28	25.7 Å²	25.7	18%	0.182	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.7	-178.2	-29.7	36.7	0	0	0	114.6	P458 S599 V643 S644 Y652	P458-P597 WeakPolarHBondContact CB-O 3.03Å; P597-S599 VanDerWaalsContact C-N 3.28Å; P597-S599 PolarHBondContact O-N 2.68Å; P597-V643 HydrophobicContact CG-CG1 4.47Å; P597-S644 WeakPolarHBondContact CG-O 3.4Å; P597-Y652 HydrophobicContact CB-CE1 3.94Å; P597-Y652 HydrophobicContact CG-CD1 3.67Å; P597-Y652 HydrophobicContact CG-CE1 3.58Å; P597-Y652 HydrophobicContact CG-CG 4.24Å
598	K	90.8	Very high	91.5	Very high	119 Å²	119	33 Å²	33	52%	0.517	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.8	174.8	-74.8	177.6	-178.4	-174.7	0	114.4	T596 E600 Y652	T596-K598 PolarHBondContact O-N 2.98Å; T596-K598 VanDerWaalsContact O-N 3.14Å; K598-E600 HydrophobicContact CB-CG 3.87Å; K598-E600 WeakPolarHBondContact CD-OE1 3.26Å; K598-E600 PolarHBondContact O-N 2.79Å; K598-Y652 WeakPolarHBondContact CD-OH 3.43Å; K598-Y652 WeakPolarHBondContact CE-OH 3.2Å; K598-Y652 VanDerWaalsContact CG-OH 3.25Å; K598-Y652 WeakPolarHBondContact CG-OH 3.31Å
599	S	92	Very high	90.7	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.063	19%	0.187	C	C	.	.	S	Bend	trans	60.4	22.7	-177	-48.3	0	0	0	0	114.3	P458 C459 T596 P597	P458-S599 WeakPolarHBondContact CD-OG 3.41Å; C459-S599 PolarHBondContact N-OG 3.5Å; C459-S599 VanDerWaalsContact SG-CB 3.52Å; C459-S599 PolarHBondContact SG-OG 3.03Å; C459-S599 VanDerWaalsContact SG-OG 3.41Å; T596-S599 WeakPolarHBondContact O-CA 3.46Å; T596-S599 PolarHBondContact O-N 3.07Å; P597-S599 VanDerWaalsContact C-N 3.28Å; P597-S599 PolarHBondContact O-N 2.68Å
600	E	92.7	Very high	90.4	Very high	97 Å²	97	40.3 Å²	40.3	45%	0.453	19%	0.191	S	C	.	.	S	Bend	trans	-83	-35.7	179.4	-69.4	166.8	173.1	0	0	111.6	T596 K598 V617	T596-E600 PolarHBondContact OG1-N 2.82Å; K598-E600 HydrophobicContact CB-CG 3.87Å; K598-E600 WeakPolarHBondContact CD-OE1 3.26Å; K598-E600 PolarHBondContact O-N 2.79Å; E600-V617 WeakPolarHBondContact O-CB 3.13Å; E600-V617 WeakPolarHBondContact O-CG2 3.46Å; E600-V617 PolarHBondContact O-N 2.93Å
601	H	95.1	Very high	90.3	Very high	51 Å²	51	43 Å²	43	24%	0.236	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.2	-177.7	-49.8	-36	0	0	0	111.5	T596 M615 L623	T596-H601 HydrophobicContact CG2-CB 3.86Å; T596-H601 PolarHBondContact N-O 2.68Å; T596-H601 PolarHBondContact OG1-N 3.44Å; T596-H601 PolarHBondContact OG1-O 3.33Å; H601-M615 CarbonylContact C-O 3.54Å; H601-M615 VanDerWaalsContact CA-O 3.28Å; H601-M615 WeakPolarHBondContact CA-O 3.49Å; H601-L623 HydrophobicContact CB-CD1 4.47Å; H601-L623 WeakPolarHBondContact ND1-CD1 3.36Å
602	L	95.4	Very high	90.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.7	172.8	175.7	69.6	0	0	0	108.7	V464 F595 L604 M615 V617	V464-L602 HydrophobicContact CB-CD1 4.33Å; V464-L602 HydrophobicContact CB-CD2 4.44Å; V464-L602 HydrophobicContact CG1-CD1 3.89Å; V464-L602 HydrophobicContact CG2-CD1 4.38Å; V464-L602 HydrophobicContact CG2-CD2 3.8Å; F595-L602 HydrophobicContact CD1-CB 4.39Å; F595-L602 HydrophobicContact CD1-CD1 4.11Å; F595-L602 HydrophobicContact CD2-CD1 4.31Å; F595-L602 HydrophobicContact CE1-CB 4.32Å; F595-L602 HydrophobicContact CE1-CD1 3.96Å; F595-L602 HydrophobicContact CE2-CD1 4.17Å; F595-L602 HydrophobicContact CG-CD1 4.29Å; F595-L602 HydrophobicContact CZ-CD1 4Å; L602-L604 HydrophobicContact CD2-CD2 3.78Å; L602-L604 HydrophobicContact CG-CD2 4Å; L602-M615 HydrophobicContact CB-CG 3.81Å; L602-M615 HydrophobicContact CD2-CG 4.2Å; L602-M615 HydrophobicContact CD2-SD 3.8Å; L602-M615 HydrophobicContact CG-CG 4.3Å; L602-M615 HydrophobicContact CG-SD 4.5Å; L602-M615 PolarHBondContact N-O 3.11Å; L602-M615 PolarHBondContact O-N 2.95Å; L602-V617 HydrophobicContact CB-CG2 4.13Å
603	L	96.4	Very high	90.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.2	174.9	-60.5	166.3	0	0	0	108.4	M593 A594 T596 F612 V613 C614 W624 M641 V643 I654	M593-L603 CarbonylContact C-O 3.51Å; M593-L603 VanDerWaalsContact CA-O 3.3Å; M593-L603 WeakPolarHBondContact CA-O 3.36Å; A594-L603 PolarHBondContact N-O 2.86Å; A594-L603 WeakPolarHBondContact O-CB 3.36Å; A594-L603 PolarHBondContact O-N 2.59Å; T596-L603 HydrophobicContact CG2-CD1 4.49Å; L603-F612 HydrophobicContact CB-CE2 4.19Å; L603-F612 HydrophobicContact CD2-CE2 4.4Å; L603-F612 HydrophobicContact CD2-CZ 4.24Å; L603-V613 WeakPolarHBondContact CA-O 3.35Å; L603-C614 HydrophobicContact CD2-CB 3.77Å; L603-W624 HydrophobicContact CD2-CH2 3.99Å; L603-W624 HydrophobicContact CD2-CZ2 4.01Å; L603-M641 HydrophobicContact CB-CE 4.23Å; L603-M641 HydrophobicContact CB-SD 3.94Å; L603-V643 HydrophobicContact CD1-CG2 3.71Å; L603-I654 HydrophobicContact CD1-CD1 3.41Å; L603-I654 VanDerWaalsContact CD1-CD1 3.41Å; L603-I654 HydrophobicContact CD1-CG1 3.68Å; L603-I654 HydrophobicContact CD1-CG2 4.26Å; L603-I654 HydrophobicContact CD2-CD1 3.74Å; L603-I654 HydrophobicContact CG-CD1 4.22Å
604	L	95	Very high	90.7	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.9	-177.4	51.9	101.1	0	0	0	112.9	V587 L592 M593 L602 T606 V613 M615	V587-L604 HydrophobicContact CG1-CD1 4.27Å; V587-L604 HydrophobicContact CG1-CD2 4.11Å; L592-L604 CarbonylContact O-C 3.51Å; L592-L604 VanDerWaalsContact O-CA 3.27Å; L592-L604 WeakPolarHBondContact O-CA 3.31Å; M593-L604 HydrophobicContact CG-CB 4.27Å; L602-L604 HydrophobicContact CD2-CD2 3.78Å; L602-L604 HydrophobicContact CG-CD2 4Å; L604-T606 HydrophobicContact CD1-CG2 4.27Å; L604-V613 HydrophobicContact CD1-CB 3.67Å; L604-V613 HydrophobicContact CD1-CG1 4.26Å; L604-V613 HydrophobicContact CD1-CG2 4.17Å; L604-V613 HydrophobicContact CG-CB 4.15Å; L604-V613 PolarHBondContact N-O 3.2Å; L604-V613 PolarHBondContact O-N 3.13Å; L604-M615 HydrophobicContact CD2-CG 3.96Å; L604-M615 HydrophobicContact CD2-SD 3.42Å; L604-M615 WeakPolarHBondContact CD2-SD 3.19Å
605	V	93	Very high	90.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.8	171.9	-178.2	0	0	0	0	108.4	S590 C591 L592 K611 F612 I628	S590-V605 CarbonylContact C-O 3.56Å; S590-V605 WeakPolarHBondContact CA-O 3.01Å; S590-V605 WeakPolarHBondContact CB-O 3.18Å; C591-V605 PolarHBondContact N-O 2.96Å; C591-V605 PolarHBondContact SG-O 2.84Å; C591-V605 VanDerWaalsContact SG-O 3.34Å; L592-V605 HydrophobicContact CB-CB 3.99Å; L592-V605 HydrophobicContact CB-CG2 4.07Å; L592-V605 HydrophobicContact CD1-CB 4.34Å; L592-V605 HydrophobicContact CD1-CG2 4.09Å; L592-V605 HydrophobicContact CG-CB 4.42Å; L592-V605 PolarHBondContact O-N 3.41Å; V605-K611 WeakPolarHBondContact CA-O 3.36Å; V605-F612 HydrophobicContact CG2-CB 4.47Å; V605-F612 HydrophobicContact CG2-CD2 3.76Å; V605-F612 HydrophobicContact CG2-CE2 4.46Å; V605-F612 HydrophobicContact CG2-CG 4.46Å; V605-I628 HydrophobicContact CG1-CD1 3.85Å; V605-I628 HydrophobicContact CG2-CD1 4.08Å
606	T	90.2	Very high	90.4	Very high	15 Å²	15	40.9 Å²	40.9	9%	0.092	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	144.3	-177.4	61.1	0	0	0	0	112	P588 L604 G610 K611 V613	P588-T606 HydrophobicContact CG-CG2 3.81Å; L604-T606 HydrophobicContact CD1-CG2 4.27Å; T606-G610 VanDerWaalsContact O-CA 3.24Å; T606-G610 WeakPolarHBondContact O-CA 3.41Å; T606-G610 PolarHBondContact O-N 3.42Å; T606-K611 PolarHBondContact N-O 3.12Å; T606-K611 WeakPolarHBondContact OG1-CB 3.31Å; T606-K611 PolarHBondContact OG1-N 2.67Å; T606-K611 PolarHBondContact OG1-O 3.46Å; T606-V613 HydrophobicContact CG2-CG2 4.47Å
607	Q	83.6	Confident	90.2	Very high	37 Å²	37	41.2 Å²	41.2	17%	0.173	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-45.1	-174	-175.5	174.5	-6.4	0	0	113.8	T88 P589	T88-Q607 PolarHBondContact O-NE2 3.02Å; P589-Q607 PolarHBondContact O-N 3.03Å
608	K	75	Confident	90.1	Very high	165 Å²	165	48.3 Å²	48.3	72%	0.717	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-33.9	-173.1	-76.1	-170.2	175.3	-173.8	0	114.7	T88	T88-K608 HydrophobicContact CG2-CG 4.24Å
609	R	71.4	Confident	89.8	Confident	220 Å²	220	46.8 Å²	46.8	83%	0.83	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-4.4	-175	-69.6	-170.8	178	-179.6	0.1	113.6	K611	R609-K611 HydrophobicContact CB-CB 4.47Å; R609-K611 PolarHBondContact O-N 3.2Å
610	G	82.7	Confident	89.5	Confident	21 Å²	21	46.4 Å²	46.4	22%	0.216	22%	0.217	C	C	.	.			trans	60	16.9	-173.7	0	0	0	0	0	113.8	T606 F612 I628	T606-G610 VanDerWaalsContact O-CA 3.24Å; T606-G610 WeakPolarHBondContact O-CA 3.41Å; T606-G610 PolarHBondContact O-N 3.42Å; G610-F612 PolarHBondContact O-N 3.05Å; G610-I628 VanDerWaalsContact O-CD1 3.31Å; G610-I628 WeakPolarHBondContact O-CD1 3.32Å
611	K	89.7	Confident	89.3	Confident	58 Å²	58	43.9 Å²	43.9	25%	0.252	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.5	-176.5	-160.8	176.7	-158.7	-177.1	0	109.8	V605 T606 R609 V613 D625 R626	V605-K611 WeakPolarHBondContact CA-O 3.36Å; T606-K611 PolarHBondContact N-O 3.12Å; T606-K611 WeakPolarHBondContact OG1-CB 3.31Å; T606-K611 PolarHBondContact OG1-N 2.67Å; T606-K611 PolarHBondContact OG1-O 3.46Å; R609-K611 HydrophobicContact CB-CB 4.47Å; R609-K611 PolarHBondContact O-N 3.2Å; K611-V613 HydrophobicContact CB-CG2 4.47Å; K611-V613 HydrophobicContact CD-CG2 4.43Å; K611-V613 HydrophobicContact CG-CG2 4.19Å; K611-D625 HydrophobicContact CD-CB 4.06Å; K611-D625 VanDerWaalsContact CE-OD2 3.25Å; K611-D625 WeakPolarHBondContact CE-OD2 3.31Å; K611-D625 HydrophobicContact CG-CB 4.41Å; K611-D625 IonicContact NZ-OD1 3.78Å; K611-D625 IonicContact NZ-OD2 2.87Å; K611-D625 PolarHBondContact NZ-OD2 3.49Å; K611-R626 VanDerWaalsContact CG-O 3.32Å; K611-R626 WeakPolarHBondContact CG-O 3.02Å
612	F	94.2	Very high	89.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.9	176.1	-176.2	-144.5	0	0	0	109.9	L603 V605 G610 W624 D625 R626 I628 M641 I654 L656 Y666	L603-F612 HydrophobicContact CB-CE2 4.19Å; L603-F612 HydrophobicContact CD2-CE2 4.4Å; L603-F612 HydrophobicContact CD2-CZ 4.24Å; V605-F612 HydrophobicContact CG2-CB 4.47Å; V605-F612 HydrophobicContact CG2-CD2 3.76Å; V605-F612 HydrophobicContact CG2-CE2 4.46Å; V605-F612 HydrophobicContact CG2-CG 4.46Å; G610-F612 PolarHBondContact O-N 3.05Å; F612-W624 AromaticContact CD1-CH2 3.81Å; F612-W624 HydrophobicContact CD1-CH2 3.81Å; F612-W624 AromaticContact CD1-CZ3 3.6Å; F612-W624 HydrophobicContact CD1-CZ3 3.6Å; F612-W624 AromaticContact CE1-CH2 3.38Å; F612-W624 HydrophobicContact CE1-CH2 3.38Å; F612-W624 AromaticContact CE1-CZ3 3.7Å; F612-W624 HydrophobicContact CE1-CZ3 3.7Å; F612-W624 HydrophobicContact CE2-CH2 4.27Å; F612-W624 HydrophobicContact CG-CH2 4.43Å; F612-W624 HydrophobicContact CG-CZ3 4.03Å; F612-W624 AromaticContact CZ-CH2 3.63Å; F612-W624 HydrophobicContact CZ-CH2 3.63Å; F612-W624 HydrophobicContact CZ-CZ3 4.2Å; F612-D625 CarbonylContact O-C 3.6Å; F612-D625 VanDerWaalsContact O-CA 3.3Å; F612-D625 WeakPolarHBondContact O-CA 3.12Å; F612-R626 PolarHBondContact N-O 3.22Å; F612-R626 PolarHBondContact O-N 3.3Å; F612-I628 HydrophobicContact CB-CD1 4.12Å; F612-I628 HydrophobicContact CB-CG1 3.91Å; F612-M641 HydrophobicContact CE2-SD 3.94Å; F612-I654 HydrophobicContact CZ-CD1 4.15Å; F612-I654 HydrophobicContact CZ-CG2 3.99Å; F612-L656 HydrophobicContact CD1-CD1 3.96Å; F612-L656 HydrophobicContact CD2-CD1 4.28Å; F612-L656 HydrophobicContact CE1-CD1 4.01Å; F612-L656 HydrophobicContact CE2-CD1 4.34Å; F612-L656 HydrophobicContact CG-CD1 4.1Å; F612-L656 HydrophobicContact CZ-CD1 4.21Å; F612-Y666 HydrophobicContact CD1-CD1 4.3Å; F612-Y666 HydrophobicContact CD1-CE1 4.32Å; F612-Y666 HydrophobicContact CE1-CD1 4.11Å; F612-Y666 HydrophobicContact CE1-CD2 4.26Å; F612-Y666 AromaticContact CE1-CG 3.95Å; F612-Y666 HydrophobicContact CE1-CG 3.95Å
613	V	94.1	Very high	88.9	Confident	12 Å²	12	50.3 Å²	50.3	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.7	-170	-175.8	0	0	0	0	109.5	L603 L604 T606 K611 I622 D625	L603-V613 WeakPolarHBondContact CA-O 3.35Å; L604-V613 HydrophobicContact CD1-CB 3.67Å; L604-V613 HydrophobicContact CD1-CG1 4.26Å; L604-V613 HydrophobicContact CD1-CG2 4.17Å; L604-V613 HydrophobicContact CG-CB 4.15Å; L604-V613 PolarHBondContact N-O 3.2Å; L604-V613 PolarHBondContact O-N 3.13Å; T606-V613 HydrophobicContact CG2-CG2 4.47Å; K611-V613 HydrophobicContact CB-CG2 4.47Å; K611-V613 HydrophobicContact CD-CG2 4.43Å; K611-V613 HydrophobicContact CG-CG2 4.19Å; V613-I622 HydrophobicContact CG1-CB 4.46Å; V613-I622 HydrophobicContact CG1-CD1 4.43Å; V613-I622 HydrophobicContact CG1-CG1 4.08Å; V613-I622 HydrophobicContact CG1-CG2 3.71Å; V613-D625 HydrophobicContact CB-CB 4.5Å; V613-D625 HydrophobicContact CG1-CB 4.41Å; V613-D625 HydrophobicContact CG2-CB 3.95Å
614	C	95.2	Very high	88.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	167.4	-177.3	0	0	0	0	109.4	L603 L623 W624	L603-C614 HydrophobicContact CD2-CB 3.77Å; C614-L623 PolarHBondContact O-N 2.72Å; C614-W624 HydrophobicContact CB-CD2 3.59Å; C614-W624 HydrophobicContact CB-CE3 3.97Å; C614-W624 HydrophobicContact CB-CG 4.23Å; C614-W624 HydrophobicContact CB-CH2 3.68Å; C614-W624 HydrophobicContact CB-CZ2 3.29Å; C614-W624 HydrophobicContact CB-CZ3 4Å; C614-W624 PolarHBondContact N-O 3.24Å
615	M	93.2	Very high	88.7	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147	179	69.5	-179.9	-57.3	0	0	111.6	W499 V587 H601 L602 L604 S621	W499-M615 HydrophobicContact CE3-CE 4.45Å; W499-M615 HydrophobicContact CH2-CE 3.17Å; W499-M615 HydrophobicContact CH2-SD 4.33Å; W499-M615 HydrophobicContact CZ2-CE 3.73Å; W499-M615 HydrophobicContact CZ3-CE 3.59Å; V587-M615 HydrophobicContact CG2-CE 3.88Å; V587-M615 HydrophobicContact CG2-SD 4.11Å; H601-M615 CarbonylContact C-O 3.54Å; H601-M615 VanDerWaalsContact CA-O 3.28Å; H601-M615 WeakPolarHBondContact CA-O 3.49Å; L602-M615 HydrophobicContact CB-CG 3.81Å; L602-M615 HydrophobicContact CD2-CG 4.2Å; L602-M615 HydrophobicContact CD2-SD 3.8Å; L602-M615 HydrophobicContact CG-CG 4.3Å; L602-M615 HydrophobicContact CG-SD 4.5Å; L602-M615 PolarHBondContact N-O 3.11Å; L602-M615 PolarHBondContact O-N 2.95Å; L604-M615 HydrophobicContact CD2-CG 3.96Å; L604-M615 HydrophobicContact CD2-SD 3.42Å; L604-M615 WeakPolarHBondContact CD2-SD 3.19Å; M615-S621 CarbonylContact C-O 3.56Å; M615-S621 WeakPolarHBondContact CA-O 3.31Å
616	S	92.2	Very high	88.6	Confident	14 Å²	14	58 Å²	58	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	132.9	173.5	167	0	0	0	0	110.7	E618 N619 G620 S621	S616-E618 VanDerWaalsContact C-N 3.32Å; S616-E618 PolarHBondContact OG-N 3.15Å; S616-N619 WeakPolarHBondContact CB-OD1 3.45Å; S616-N619 PolarHBondContact OG-OD1 2.87Å; S616-G620 VanDerWaalsContact O-CA 3.22Å; S616-G620 WeakPolarHBondContact O-CA 3.16Å; S616-G620 PolarHBondContact O-N 2.95Å; S616-S621 PolarHBondContact N-O 3.1Å
617	V	92	Very high	88.5	Confident	8 Å²	8	60.8 Å²	60.8	5%	0.048	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-32.2	-179.2	176.2	0	0	0	0	111.1	F462 L473 W499 F595 E600 L602	F462-V617 HydrophobicContact CD1-CG1 4.26Å; F462-V617 HydrophobicContact CD2-CG1 4.2Å; F462-V617 HydrophobicContact CE1-CG1 4.14Å; F462-V617 HydrophobicContact CE2-CG1 4.08Å; F462-V617 HydrophobicContact CG-CG1 4.28Å; F462-V617 HydrophobicContact CZ-CG1 4.05Å; L473-V617 HydrophobicContact CD2-CG1 3.83Å; W499-V617 PolarHBondContact NE1-O 3.34Å; F595-V617 HydrophobicContact CD1-CG2 4.11Å; F595-V617 HydrophobicContact CE1-CG2 3.94Å; E600-V617 WeakPolarHBondContact O-CB 3.13Å; E600-V617 WeakPolarHBondContact O-CG2 3.46Å; E600-V617 PolarHBondContact O-N 2.93Å; L602-V617 HydrophobicContact CB-CG2 4.13Å
618	E	88.2	Confident	88.6	Confident	177 Å²	177	59.5 Å²	59.5	83%	0.827	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-50.8	-174.2	-176	175.3	-173.5	0	0	112.8	S616	S616-E618 VanDerWaalsContact C-N 3.32Å; S616-E618 PolarHBondContact OG-N 3.15Å
619	N	84.7	Confident	88.5	Confident	87 Å²	87	52.8 Å²	52.8	47%	0.465	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-7.7	-172.7	66.4	-5.4	0	0	0	113.7	S616 S621	S616-N619 WeakPolarHBondContact CB-OD1 3.45Å; S616-N619 PolarHBondContact OG-OD1 2.87Å; N619-S621 PolarHBondContact ND2-OG 3.14Å; N619-S621 PolarHBondContact O-N 2.88Å; N619-S621 PolarHBondContact OD1-N 2.86Å; N619-S621 PolarHBondContact OD1-OG 2.93Å
620	G	86	Confident	88	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.01	26%	0.255	C	S	.	.			trans	73.8	9.1	-178.6	0	0	0	0	0	114.5	W499 S616	W499-G620 VanDerWaalsContact CD2-CA 3.49Å; W499-G620 VanDerWaalsContact NE1-N 3.2Å; S616-G620 VanDerWaalsContact O-CA 3.22Å; S616-G620 WeakPolarHBondContact O-CA 3.16Å; S616-G620 PolarHBondContact O-N 2.95Å
621	S	88.7	Confident	87	Confident	44 Å²	44	55.1 Å²	55.1	31%	0.308	28%	0.284	S	S	.	.			trans	-73.2	135.1	-179.8	65.7	0	0	0	0	111.1	M615 S616 N619 L623	M615-S621 CarbonylContact C-O 3.56Å; M615-S621 WeakPolarHBondContact CA-O 3.31Å; S616-S621 PolarHBondContact N-O 3.1Å; N619-S621 PolarHBondContact ND2-OG 3.14Å; N619-S621 PolarHBondContact O-N 2.88Å; N619-S621 PolarHBondContact OD1-N 2.86Å; N619-S621 PolarHBondContact OD1-OG 2.93Å; S621-L623 PolarHBondContact O-N 3.17Å
622	I	91.4	Very high	85.6	Confident	101 Å²	101	55.1 Å²	55.1	52%	0.518	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	119.7	169.8	-62.1	169.1	0	0	0	108.1	V613 D625	V613-I622 HydrophobicContact CG1-CB 4.46Å; V613-I622 HydrophobicContact CG1-CD1 4.43Å; V613-I622 HydrophobicContact CG1-CG1 4.08Å; V613-I622 HydrophobicContact CG1-CG2 3.71Å; I622-D625 HydrophobicContact CG2-CB 4.31Å
623	L	91	Very high	83.9	Confident	87 Å²	87	60.8 Å²	60.8	46%	0.455	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-42.7	178.6	-69.7	165.1	0	0	0	111	H601 C614 S621	H601-L623 HydrophobicContact CB-CD1 4.47Å; H601-L623 WeakPolarHBondContact ND1-CD1 3.36Å; C614-L623 PolarHBondContact O-N 2.72Å; S621-L623 PolarHBondContact O-N 3.17Å
624	W	94.2	Very high	82.5	Confident	15 Å²	15	67 Å²	67	6%	0.057	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	158.8	173	49.2	-102.6	0	0	0	109.7	L603 F612 C614 R626 S668 P669	L603-W624 HydrophobicContact CD2-CH2 3.99Å; L603-W624 HydrophobicContact CD2-CZ2 4.01Å; F612-W624 AromaticContact CD1-CH2 3.81Å; F612-W624 HydrophobicContact CD1-CH2 3.81Å; F612-W624 AromaticContact CD1-CZ3 3.6Å; F612-W624 HydrophobicContact CD1-CZ3 3.6Å; F612-W624 AromaticContact CE1-CH2 3.38Å; F612-W624 HydrophobicContact CE1-CH2 3.38Å; F612-W624 AromaticContact CE1-CZ3 3.7Å; F612-W624 HydrophobicContact CE1-CZ3 3.7Å; F612-W624 HydrophobicContact CE2-CH2 4.27Å; F612-W624 HydrophobicContact CG-CH2 4.43Å; F612-W624 HydrophobicContact CG-CZ3 4.03Å; F612-W624 AromaticContact CZ-CH2 3.63Å; F612-W624 HydrophobicContact CZ-CH2 3.63Å; F612-W624 HydrophobicContact CZ-CZ3 4.2Å; C614-W624 HydrophobicContact CB-CD2 3.59Å; C614-W624 HydrophobicContact CB-CE3 3.97Å; C614-W624 HydrophobicContact CB-CG 4.23Å; C614-W624 HydrophobicContact CB-CH2 3.68Å; C614-W624 HydrophobicContact CB-CZ2 3.29Å; C614-W624 HydrophobicContact CB-CZ3 4Å; C614-W624 PolarHBondContact N-O 3.24Å; W624-R626 HydrophobicContact CE3-CG 3.99Å; W624-R626 HydrophobicContact CZ3-CG 4.34Å; W624-S668 WeakPolarHBondContact CZ2-O 3.33Å; W624-S668 PolarHBondContact NE1-O 3.47Å; W624-P669 PolarHBondContact NE1-O 3.26Å; W624-P669 VanDerWaalsContact NE1-O 3.12Å
625	D	91.1	Very high	81.5	Confident	60 Å²	60	71.6 Å²	71.6	32%	0.321	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.6	172.6	61.2	5.8	0	0	0	111	K611 F612 V613 I622	K611-D625 HydrophobicContact CD-CB 4.06Å; K611-D625 VanDerWaalsContact CE-OD2 3.25Å; K611-D625 WeakPolarHBondContact CE-OD2 3.31Å; K611-D625 HydrophobicContact CG-CB 4.41Å; K611-D625 IonicContact NZ-OD1 3.78Å; K611-D625 IonicContact NZ-OD2 2.87Å; K611-D625 PolarHBondContact NZ-OD2 3.49Å; F612-D625 CarbonylContact O-C 3.6Å; F612-D625 VanDerWaalsContact O-CA 3.3Å; F612-D625 WeakPolarHBondContact O-CA 3.12Å; V613-D625 HydrophobicContact CB-CB 4.5Å; V613-D625 HydrophobicContact CG1-CB 4.41Å; V613-D625 HydrophobicContact CG2-CB 3.95Å; I622-D625 HydrophobicContact CG2-CB 4.31Å
626	R	91.8	Very high	81.1	Confident	92 Å²	92	72 Å²	72	35%	0.347	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151	-170.1	-62.3	-69.9	178.9	-100.9	1	110.6	K611 F612 W624 T670 G671	K611-R626 VanDerWaalsContact CG-O 3.32Å; K611-R626 WeakPolarHBondContact CG-O 3.02Å; F612-R626 PolarHBondContact N-O 3.22Å; F612-R626 PolarHBondContact O-N 3.3Å; W624-R626 HydrophobicContact CE3-CG 3.99Å; W624-R626 HydrophobicContact CZ3-CG 4.34Å; R626-T670 PolarHBondContact NH2-O 2.99Å; R626-G671 WeakPolarHBondContact CG-O 3.44Å
627	N	89.3	Confident	80.8	Confident	73 Å²	73	75 Å²	75	39%	0.39	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.8	169.9	-57.7	-47.4	0	0	0	109.1	G629 E630	N627-G629 VanDerWaalsContact C-N 3.28Å; N627-G629 PolarHBondContact O-N 2.87Å; N627-E630 HydrophobicContact CB-CG 3.98Å; N627-E630 WeakPolarHBondContact CB-OE1 3.36Å; N627-E630 PolarHBondContact ND2-OE1 3.18Å
628	I	85.3	Confident	80.7	Confident	9 Å²	9	75 Å²	75	5%	0.046	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.1	-173.4	-60.7	174.4	0	0	0	111.9	V605 G610 F612 A638 L656 R664	V605-I628 HydrophobicContact CG1-CD1 3.85Å; V605-I628 HydrophobicContact CG2-CD1 4.08Å; G610-I628 VanDerWaalsContact O-CD1 3.31Å; G610-I628 WeakPolarHBondContact O-CD1 3.32Å; F612-I628 HydrophobicContact CB-CD1 4.12Å; F612-I628 HydrophobicContact CB-CG1 3.91Å; I628-A638 HydrophobicContact CD1-CB 3.59Å; I628-L656 HydrophobicContact CD1-CD1 4.04Å; I628-L656 HydrophobicContact CG1-CD1 4.41Å; I628-R664 PolarHBondContact O-NE 2.85Å
629	G	72.9	Confident	80.7	Confident	25 Å²	25	67.4 Å²	67.4	26%	0.258	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	35.5	-174	0	0	0	0	0	115.3	N627 D631 D632	N627-G629 VanDerWaalsContact C-N 3.28Å; N627-G629 PolarHBondContact O-N 2.87Å; G629-D631 PolarHBondContact O-N 3.3Å; G629-D632 PolarHBondContact O-N 3.3Å
630	E	61	Low	81.1	Confident	138 Å²	138	64 Å²	64	65%	0.645	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.9	179.4	-105.2	163.5	-145.9	0	0	113.9	N627	N627-E630 HydrophobicContact CB-CG 3.98Å; N627-E630 WeakPolarHBondContact CB-OE1 3.36Å; N627-E630 PolarHBondContact ND2-OE1 3.18Å
631	D	59.9	Low	81.5	Confident	152 Å²	152	65.5 Å²	65.5	81%	0.813	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-15.3	-174.2	-67.3	-32.6	0	0	0	114.5	G629	G629-D631 PolarHBondContact O-N 3.3Å
632	D	60.8	Low	81.8	Confident	58 Å²	58	64.8 Å²	64.8	31%	0.31	35%	0.351	S	S	.	.			trans	-104.2	132.5	-171.9	-68.8	-50.1	0	0	0	110.8	G629 L634 V636 R664	G629-D632 PolarHBondContact O-N 3.3Å; D632-L634 PolarHBondContact O-N 2.64Å; D632-V636 HydrophobicContact CB-CG2 3.99Å; D632-R664 IonicContact OD2-NH2 2.69Å; D632-R664 PolarHBondContact OD2-NH2 3.31Å
633	A	58.6	Low	82	Confident	119 Å²	119	60.9 Å²	60.9	98%	0.983	33%	0.332	S	S	*	.	S	Bend	trans	-65.5	-7.7	175.5	0	0	0	0	0	113.9
634	L	65.6	Low	82.1	Confident	142 Å²	142	57 Å²	57	74%	0.743	31%	0.312	S	S	*	.	S	Bend	trans	-104.4	144.8	-178.3	-72.2	158	0	0	0	110.1	D632 V636	D632-L634 PolarHBondContact O-N 2.64Å; L634-V636 PolarHBondContact O-N 2.94Å
635	D	73.2	Confident	81.8	Confident	96 Å²	96	60.6 Å²	60.6	51%	0.513	33%	0.332	S	S	.	.			trans	-67.8	95.6	174.2	-175.1	33.1	0	0	0	110.6	R637	D635-R637 IonicContact OD2-CZ 3.74Å; D635-R637 IonicContact OD2-NE 3.93Å; D635-R637 PolarHBondContact OD2-NE 3.39Å; D635-R637 IonicContact OD2-NH2 3.29Å; D635-R637 PolarHBondContact OD2-NH2 3.23Å
636	V	85	Confident	81.6	Confident	13 Å²	13	59.2 Å²	59.2	8%	0.079	32%	0.324	C	S	.	.			trans	-89.8	130	179.2	-177.5	0	0	0	0	110.8	D632 L634 C658 D660	D632-V636 HydrophobicContact CB-CG2 3.99Å; L634-V636 PolarHBondContact O-N 2.94Å; V636-C658 HydrophobicContact CG1-CB 3.76Å; V636-D660 HydrophobicContact CG1-CB 4.27Å; V636-D660 HydrophobicContact CG2-CB 4.22Å
637	R	85.5	Confident	81.3	Confident	78 Å²	78	59.3 Å²	59.3	29%	0.294	33%	0.331	S	S	.	.			trans	-121.9	136.3	-176.5	-64.4	163.8	177.2	-122.7	-25.2	110.9	Q87 D635 C658 S659	Q87-R637 VanDerWaalsContact CA-NH1 3.33Å; Q87-R637 VanDerWaalsContact O-CZ 3.24Å; Q87-R637 PolarHBondContact O-NH1 3.14Å; Q87-R637 PolarHBondContact O-NH2 3.42Å; Q87-R637 VanDerWaalsContact O-NH2 3.08Å; D635-R637 IonicContact OD2-CZ 3.74Å; D635-R637 IonicContact OD2-NE 3.93Å; D635-R637 PolarHBondContact OD2-NE 3.39Å; D635-R637 IonicContact OD2-NH2 3.29Å; D635-R637 PolarHBondContact OD2-NH2 3.23Å; R637-C658 CarbonylContact O-C 3.49Å; R637-C658 WeakPolarHBondContact O-CA 3.46Å; R637-S659 PolarHBondContact N-OG 2.86Å; R637-S659 PolarHBondContact O-N 2.8Å
638	A	91	Very high	81	Confident	9 Å²	9	56.3 Å²	56.3	7%	0.074	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.5	167.5	0	0	0	0	0	110.6	L592 I628 L656 G657	L592-A638 HydrophobicContact CD1-CB 3.79Å; L592-A638 WeakPolarHBondContact CD1-O 3.44Å; I628-A638 HydrophobicContact CD1-CB 3.59Å; A638-L656 HydrophobicContact CB-CB 4.31Å; A638-L656 HydrophobicContact CB-CD1 4.36Å; A638-L656 HydrophobicContact CB-CD2 4.41Å; A638-G657 WeakPolarHBondContact CA-O 3.19Å
639	H	88.6	Confident	80.8	Confident	16 Å²	16	60.7 Å²	60.7	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	-8.7	178.6	62.3	-86.1	0	0	0	113.5	F49 S372 L592 G657 C658 P690	F49-H639 AromaticContact CZ-CD2 3.86Å; S372-H639 WeakPolarHBondContact CA-O 3.36Å; L592-H639 WeakPolarHBondContact CD2-O 3.19Å; H639-G657 PolarHBondContact N-O 2.82Å; H639-G657 PolarHBondContact ND1-O 2.69Å; H639-C658 VanDerWaalsContact CE1-C 3.49Å; H639-C658 PolarHBondContact CE1-O 2.94Å; H639-P690 PolarHBondContact NE2-O 2.85Å
640	I	92	Very high	81.3	Confident	16 Å²	16	60.2 Å²	60.2	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.9	168.8	59	176.7	0	0	0	110.9	P371 L656 G657 P690 I693	P371-I640 HydrophobicContact CB-CG2 3.65Å; I640-L656 WeakPolarHBondContact O-CA 3.43Å; I640-G657 VanDerWaalsContact CG1-CA 3.41Å; I640-G657 PolarHBondContact N-O 2.78Å; I640-G657 PolarHBondContact O-N 2.76Å; I640-G657 VanDerWaalsContact O-N 3.11Å; I640-P690 HydrophobicContact CD1-CB 3.77Å; I640-P690 HydrophobicContact CD1-CG 4.13Å; I640-I693 HydrophobicContact CD1-CD1 3.62Å; I640-I693 HydrophobicContact CD1-CG1 3.67Å; I640-I693 HydrophobicContact CG1-CD1 3.97Å
641	M	94.5	Very high	82.6	Confident	33 Å²	33	54 Å²	54	16%	0.163	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.3	173.3	-179.6	166	53.9	0	0	109.6	L592 A594 L603 F612 I654 G655 L656	L592-M641 HydrophobicContact CB-CB 4.39Å; L592-M641 HydrophobicContact CB-CE 4.06Å; L592-M641 HydrophobicContact CD1-CB 4.28Å; A594-M641 HydrophobicContact CB-CE 3.53Å; A594-M641 HydrophobicContact CB-CG 4.35Å; A594-M641 HydrophobicContact CB-SD 4.25Å; L603-M641 HydrophobicContact CB-CE 4.23Å; L603-M641 HydrophobicContact CB-SD 3.94Å; F612-M641 HydrophobicContact CE2-SD 3.94Å; M641-I654 HydrophobicContact CG-CG2 4.05Å; M641-I654 HydrophobicContact SD-CG2 4.2Å; M641-G655 WeakPolarHBondContact CA-O 3.36Å; M641-L656 HydrophobicContact CB-CD2 3.59Å; M641-L656 HydrophobicContact CG-CD2 3.59Å; M641-L656 HydrophobicContact SD-CD2 3.89Å
642	S	94.6	Very high	84.2	Confident	28 Å²	28	47.5 Å²	47.5	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.3	173.4	-171.6	0	0	0	0	109.3	I654 G655 I693	S642-I654 WeakPolarHBondContact O-CA 3.34Å; S642-G655 PolarHBondContact N-O 2.82Å; S642-G655 PolarHBondContact O-N 2.9Å; S642-I693 VanDerWaalsContact CB-O 3.25Å; S642-I693 WeakPolarHBondContact CB-O 3.36Å; S642-I693 PolarHBondContact OG-O 2.81Å
643	V	95.4	Very high	85.7	Confident	20 Å²	20	44.9 Å²	44.9	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.7	-176.4	-173.1	0	0	0	0	108.6	A594 P597 L603 L653 I654	A594-V643 HydrophobicContact CB-CG2 3.91Å; P597-V643 HydrophobicContact CG-CG1 4.47Å; L603-V643 HydrophobicContact CD1-CG2 3.71Å; V643-L653 WeakPolarHBondContact CA-O 3.35Å; V643-I654 HydrophobicContact CG1-CG1 4.38Å; V643-I654 HydrophobicContact CG2-CG1 4.43Å; V643-I654 HydrophobicContact CG2-CG2 4.43Å
644	S	93.8	Very high	87.5	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.042	21%	0.208	C	C	.	.			trans	-68.4	140.1	175.8	66.5	0	0	0	0	111.3	P597 I646 Y652 L653	P597-S644 WeakPolarHBondContact CG-O 3.4Å; S644-I646 VanDerWaalsContact C-N 3.31Å; S644-I646 PolarHBondContact O-N 3Å; S644-I646 PolarHBondContact OG-O 3.19Å; S644-Y652 WeakPolarHBondContact O-CD1 3.21Å; S644-L653 PolarHBondContact N-O 3.43Å; S644-L653 PolarHBondContact OG-N 3.48Å; S644-L653 PolarHBondContact OG-O 3.42Å
645	N	88.5	Confident	88.9	Confident	89 Å²	89	32.4 Å²	32.4	48%	0.476	17%	0.172	S	C	.	.	S	Bend	trans	-78.1	-14.8	175.5	-72.7	-29.4	0	0	0	114	N697	N645-N697 PolarHBondContact ND2-OD1 3.28Å
646	I	86.7	Confident	90	Very high	31 Å²	31	27.9 Å²	27.9	16%	0.159	15%	0.148	C	C	.	.	S	Bend	trans	-101.4	131	-176.9	-60.1	158.2	0	0	0	109	S644 I698	S644-I646 VanDerWaalsContact C-N 3.31Å; S644-I646 PolarHBondContact O-N 3Å; S644-I646 PolarHBondContact OG-O 3.19Å; I646-I698 VanDerWaalsContact CD1-C 3.49Å
647	L	85	Confident	90.4	Very high	95 Å²	95	27.2 Å²	27.2	50%	0.497	14%	0.144	S	C	.	.			trans	-76.9	125.1	172.6	-172.6	70.7	0	0	0	109.3	Y652	L647-Y652 HydrophobicContact CB-CD1 4.32Å; L647-Y652 HydrophobicContact CB-CE1 3.78Å; L647-Y652 HydrophobicContact CD1-CD1 4.09Å; L647-Y652 HydrophobicContact CD1-CD2 3.95Å; L647-Y652 HydrophobicContact CD1-CE1 3.87Å; L647-Y652 HydrophobicContact CD1-CE2 3.73Å; L647-Y652 HydrophobicContact CD1-CG 4.12Å; L647-Y652 HydrophobicContact CG-CE1 4.45Å
648	T	83.7	Confident	90.6	Very high	10 Å²	10	23.5 Å²	23.5	6%	0.061	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-100.4	175.2	176	79.7	0	0	0	0	110.6	C650 G651 L653 H713 I731	T648-C650 PolarHBondContact O-N 2.66Å; T648-C650 PolarHBondContact OG1-N 3.37Å; T648-C650 PolarHBondContact OG1-SG 2.83Å; T648-G651 WeakPolarHBondContact CA-O 3.44Å; T648-G651 WeakPolarHBondContact CB-O 3.46Å; T648-G651 PolarHBondContact N-O 3.38Å; T648-G651 PolarHBondContact O-N 2.68Å; T648-G651 PolarHBondContact OG1-O 3.24Å; T648-L653 HydrophobicContact CG2-CD1 4.03Å; T648-L653 HydrophobicContact CG2-CD2 4.24Å; T648-L653 HydrophobicContact CG2-CG 3.8Å; T648-H713 VanDerWaalsContact CG2-CE1 3.44Å; T648-H713 WeakPolarHBondContact CG2-CE1 3.33Å; T648-H713 VanDerWaalsContact CG2-NE2 3.25Å; T648-H713 WeakPolarHBondContact CG2-NE2 3.32Å; T648-I731 HydrophobicContact CG2-CD1 4.49Å
649	D	80.8	Confident	90.4	Very high	101 Å²	101	24.6 Å²	24.6	54%	0.54	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.5	177.4	-55.9	-48.7	0	0	0	112.9	S711	D649-S711 WeakPolarHBondContact OD2-CB 3.38Å; D649-S711 PolarHBondContact OD2-OG 2.87Å
650	C	83.5	Confident	90.3	Very high	14 Å²	14	25.5 Å²	25.5	10%	0.095	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	11.8	172.2	64.3	0	0	0	0	113.5	T648 D667 P669	T648-C650 PolarHBondContact O-N 2.66Å; T648-C650 PolarHBondContact OG1-N 3.37Å; T648-C650 PolarHBondContact OG1-SG 2.83Å; C650-D667 HydrophobicContact CB-CB 4.41Å; C650-D667 WeakPolarHBondContact O-CB 3.45Å; C650-P669 WeakPolarHBondContact O-CD 3.23Å; C650-P669 WeakPolarHBondContact O-CG 3.41Å
651	G	87.6	Confident	90.1	Very high	7 Å²	7	24.8 Å²	24.8	7%	0.072	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	96.4	-160.1	-176	0	0	0	0	0	113.6	T648	T648-G651 WeakPolarHBondContact CA-O 3.44Å; T648-G651 WeakPolarHBondContact CB-O 3.46Å; T648-G651 PolarHBondContact N-O 3.38Å; T648-G651 PolarHBondContact O-N 2.68Å; T648-G651 PolarHBondContact OG1-O 3.24Å
652	Y	93.1	Very high	90	Very high	17 Å²	17	27.6 Å²	27.6	7%	0.067	15%	0.148	C	C	.	.			trans	-76.3	142.5	175.5	-59.1	-72.9	0	0	0	110.1	T596 P597 K598 S644 L647 S668	T596-Y652 HydrophobicContact CG2-CD2 4.3Å; P597-Y652 HydrophobicContact CB-CE1 3.94Å; P597-Y652 HydrophobicContact CG-CD1 3.67Å; P597-Y652 HydrophobicContact CG-CE1 3.58Å; P597-Y652 HydrophobicContact CG-CG 4.24Å; K598-Y652 WeakPolarHBondContact CD-OH 3.43Å; K598-Y652 WeakPolarHBondContact CE-OH 3.2Å; K598-Y652 VanDerWaalsContact CG-OH 3.25Å; K598-Y652 WeakPolarHBondContact CG-OH 3.31Å; S644-Y652 WeakPolarHBondContact O-CD1 3.21Å; L647-Y652 HydrophobicContact CB-CD1 4.32Å; L647-Y652 HydrophobicContact CB-CE1 3.78Å; L647-Y652 HydrophobicContact CD1-CD1 4.09Å; L647-Y652 HydrophobicContact CD1-CD2 3.95Å; L647-Y652 HydrophobicContact CD1-CE1 3.87Å; L647-Y652 HydrophobicContact CD1-CE2 3.73Å; L647-Y652 HydrophobicContact CD1-CG 4.12Å; L647-Y652 HydrophobicContact CG-CE1 4.45Å; Y652-S668 PolarHBondContact N-OG 3.28Å; Y652-S668 WeakPolarHBondContact O-CB 3.36Å; Y652-S668 PolarHBondContact O-N 3.28Å
653	L	93.9	Very high	90	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.9	174	-56	177.9	0	0	0	109.6	V643 S644 T648 L665 L674 F695 H713 I729 I731	V643-L653 WeakPolarHBondContact CA-O 3.35Å; S644-L653 PolarHBondContact N-O 3.43Å; S644-L653 PolarHBondContact OG-N 3.48Å; S644-L653 PolarHBondContact OG-O 3.42Å; T648-L653 HydrophobicContact CG2-CD1 4.03Å; T648-L653 HydrophobicContact CG2-CD2 4.24Å; T648-L653 HydrophobicContact CG2-CG 3.8Å; L653-L665 HydrophobicContact CB-CD1 4.07Å; L653-L665 HydrophobicContact CB-CG 4.48Å; L653-L665 HydrophobicContact CD1-CD2 4.41Å; L653-L665 HydrophobicContact CD2-CD2 4.15Å; L653-L674 HydrophobicContact CD2-CD1 3.52Å; L653-F695 HydrophobicContact CB-CE1 4.06Å; L653-F695 HydrophobicContact CB-CZ 4.3Å; L653-F695 HydrophobicContact CD1-CE1 4.46Å; L653-H713 HydrophobicContact CD1-CB 4.1Å; L653-I729 HydrophobicContact CD1-CD1 4.26Å; L653-I731 HydrophobicContact CD2-CD1 4.34Å
654	I	95.9	Very high	90	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.9	178.9	-53.6	157.6	0	0	0	108	L603 F612 M641 S642 V643 L665 Y666	L603-I654 HydrophobicContact CD1-CD1 3.41Å; L603-I654 VanDerWaalsContact CD1-CD1 3.41Å; L603-I654 HydrophobicContact CD1-CG1 3.68Å; L603-I654 HydrophobicContact CD1-CG2 4.26Å; L603-I654 HydrophobicContact CD2-CD1 3.74Å; L603-I654 HydrophobicContact CG-CD1 4.22Å; F612-I654 HydrophobicContact CZ-CD1 4.15Å; F612-I654 HydrophobicContact CZ-CG2 3.99Å; M641-I654 HydrophobicContact CG-CG2 4.05Å; M641-I654 HydrophobicContact SD-CG2 4.2Å; S642-I654 WeakPolarHBondContact O-CA 3.34Å; V643-I654 HydrophobicContact CG1-CG1 4.38Å; V643-I654 HydrophobicContact CG2-CG1 4.43Å; V643-I654 HydrophobicContact CG2-CG2 4.43Å; I654-L665 CarbonylContact O-C 3.55Å; I654-L665 WeakPolarHBondContact O-CA 3.44Å; I654-Y666 PolarHBondContact N-O 3.03Å; I654-Y666 PolarHBondContact O-N 3.12Å
655	G	95.4	Very high	90	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.8	174.6	0	0	0	0	0	111	M641 S642	M641-G655 WeakPolarHBondContact CA-O 3.36Å; S642-G655 PolarHBondContact N-O 2.82Å; S642-G655 PolarHBondContact O-N 2.9Å
656	L	95.3	Very high	90.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.7	170.7	-66.9	-175.1	0	0	0	110.1	F612 I628 A638 I640 M641 V663 R664 Y666	F612-L656 HydrophobicContact CD1-CD1 3.96Å; F612-L656 HydrophobicContact CD2-CD1 4.28Å; F612-L656 HydrophobicContact CE1-CD1 4.01Å; F612-L656 HydrophobicContact CE2-CD1 4.34Å; F612-L656 HydrophobicContact CG-CD1 4.1Å; F612-L656 HydrophobicContact CZ-CD1 4.21Å; I628-L656 HydrophobicContact CD1-CD1 4.04Å; I628-L656 HydrophobicContact CG1-CD1 4.41Å; A638-L656 HydrophobicContact CB-CB 4.31Å; A638-L656 HydrophobicContact CB-CD1 4.36Å; A638-L656 HydrophobicContact CB-CD2 4.41Å; I640-L656 WeakPolarHBondContact O-CA 3.43Å; M641-L656 HydrophobicContact CB-CD2 3.59Å; M641-L656 HydrophobicContact CG-CD2 3.59Å; M641-L656 HydrophobicContact SD-CD2 3.89Å; L656-V663 CarbonylContact O-C 3.52Å; L656-V663 VanDerWaalsContact O-CA 3.3Å; L656-V663 WeakPolarHBondContact O-CA 3.49Å; L656-R664 PolarHBondContact N-O 3Å; L656-R664 PolarHBondContact O-N 2.85Å; L656-Y666 HydrophobicContact CB-CE2 4.14Å; L656-Y666 HydrophobicContact CD1-CD2 4.03Å; L656-Y666 HydrophobicContact CD1-CE2 3.61Å; L656-Y666 HydrophobicContact CG-CD2 4.15Å; L656-Y666 HydrophobicContact CG-CE2 4.02Å
657	G	93.5	Very high	90.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.1	170.7	0	0	0	0	0	110.2	A638 H639 I640	A638-G657 WeakPolarHBondContact CA-O 3.19Å; H639-G657 PolarHBondContact N-O 2.82Å; H639-G657 PolarHBondContact ND1-O 2.69Å; I640-G657 VanDerWaalsContact CG1-CA 3.41Å; I640-G657 PolarHBondContact N-O 2.78Å; I640-G657 PolarHBondContact O-N 2.76Å; I640-G657 VanDerWaalsContact O-N 3.11Å
658	C	91.1	Very high	90.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	160	-165.9	-62.7	0	0	0	0	113.1	V636 R637 H639 D660 A661 R662 R664	V636-C658 HydrophobicContact CG1-CB 3.76Å; R637-C658 CarbonylContact O-C 3.49Å; R637-C658 WeakPolarHBondContact O-CA 3.46Å; H639-C658 VanDerWaalsContact CE1-C 3.49Å; H639-C658 PolarHBondContact CE1-O 2.94Å; C658-D660 WeakPolarHBondContact CB-OD1 3.4Å; C658-D660 PolarHBondContact O-N 3.22Å; C658-A661 PolarHBondContact O-N 3.1Å; C658-A661 VanDerWaalsContact O-N 3.07Å; C658-R662 PolarHBondContact N-O 2.97Å; C658-R664 VanDerWaalsContact CB-NH1 3.32Å; C658-R664 PolarHBondContact SG-NH1 2.93Å
659	S	86.2	Confident	91.3	Very high	32 Å²	32	19.3 Å²	19.3	22%	0.224	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.3	-178.5	60.4	0	0	0	0	114.3	R46 R637 A661	R46-S659 PolarHBondContact NH1-O 2.82Å; R637-S659 PolarHBondContact N-OG 2.86Å; R637-S659 PolarHBondContact O-N 2.8Å; S659-A661 PolarHBondContact O-N 3.46Å
660	D	87	Confident	91.8	Very high	34 Å²	34	17.6 Å²	17.6	18%	0.182	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	11.4	171.1	65.9	-13.7	0	0	0	112.9	V636 C658 R662 R664	V636-D660 HydrophobicContact CG1-CB 4.27Å; V636-D660 HydrophobicContact CG2-CB 4.22Å; C658-D660 WeakPolarHBondContact CB-OD1 3.4Å; C658-D660 PolarHBondContact O-N 3.22Å; D660-R662 PolarHBondContact O-N 2.93Å; D660-R662 WeakPolarHBondContact OD1-CB 3.49Å; D660-R662 PolarHBondContact OD1-N 3.09Å; D660-R662 VanDerWaalsContact OD1-N 3.11Å; D660-R664 IonicContact OD1-NH1 2.83Å; D660-R664 PolarHBondContact OD1-NH1 2.94Å; D660-R664 IonicContact OD2-CZ 3.05Å; D660-R664 VanDerWaalsContact OD2-CZ 3.27Å; D660-R664 IonicContact OD2-NH1 3.2Å; D660-R664 PolarHBondContact OD2-NH1 3.07Å; D660-R664 IonicContact OD2-NH2 2.67Å; D660-R664 PolarHBondContact OD2-NH2 2.98Å
661	A	87.7	Confident	92.1	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.094	C	C	.	.	S	Bend	trans	66.7	10.7	-176.7	0	0	0	0	0	115.8	C658 S659 S687 P688 L689	C658-A661 PolarHBondContact O-N 3.1Å; C658-A661 VanDerWaalsContact O-N 3.07Å; S659-A661 PolarHBondContact O-N 3.46Å; A661-S687 WeakPolarHBondContact CB-OG 3.27Å; A661-P688 WeakPolarHBondContact CB-O 3.38Å; A661-L689 HydrophobicContact CB-CD2 3.87Å
662	R	92.1	Very high	92.3	Very high	93 Å²	93	19.2 Å²	19.2	35%	0.351	11%	0.108	S	C	.	.			trans	-97	157.7	177	-61.7	179.5	178.8	171.7	-1.8	111.3	C658 D660 T676 C679	C658-R662 PolarHBondContact N-O 2.97Å; D660-R662 PolarHBondContact O-N 2.93Å; D660-R662 WeakPolarHBondContact OD1-CB 3.49Å; D660-R662 PolarHBondContact OD1-N 3.09Å; D660-R662 VanDerWaalsContact OD1-N 3.11Å; R662-T676 HydrophobicContact CB-CG2 4.06Å; R662-T676 HydrophobicContact CG-CG2 4.41Å; R662-C679 WeakPolarHBondContact CG-SG 3.49Å
663	V	94.2	Very high	92.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.9	168.2	175.8	0	0	0	0	108.1	L656 C677 P690 I693 F715 V717	L656-V663 CarbonylContact O-C 3.52Å; L656-V663 VanDerWaalsContact O-CA 3.3Å; L656-V663 WeakPolarHBondContact O-CA 3.49Å; V663-C677 HydrophobicContact CB-CB 4.06Å; V663-C677 WeakPolarHBondContact O-CB 3.47Å; V663-C677 PolarHBondContact O-N 3.11Å; V663-C677 PolarHBondContact O-SG 2.85Å; V663-P690 HydrophobicContact CG2-CB 3.7Å; V663-P690 HydrophobicContact CG2-CG 3.94Å; V663-I693 HydrophobicContact CG1-CD1 3.67Å; V663-I693 HydrophobicContact CG1-CG1 4.36Å; V663-I693 HydrophobicContact CG2-CD1 4.25Å; V663-F715 HydrophobicContact CG1-CE2 4.3Å; V663-V717 HydrophobicContact CB-CG2 4.48Å; V663-V717 HydrophobicContact CG1-CG2 4.44Å; V663-V717 HydrophobicContact CG2-CG1 3.79Å; V663-V717 HydrophobicContact CG2-CG2 4.04Å
664	R	94.2	Very high	92	Very high	8 Å²	8	23.7 Å²	23.7	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.6	177.5	-67.6	176.9	178.9	71	1.4	108.9	I628 D632 L656 C658 D660 Y666 T676	I628-R664 PolarHBondContact O-NE 2.85Å; D632-R664 IonicContact OD2-NH2 2.69Å; D632-R664 PolarHBondContact OD2-NH2 3.31Å; L656-R664 PolarHBondContact N-O 3Å; L656-R664 PolarHBondContact O-N 2.85Å; C658-R664 VanDerWaalsContact CB-NH1 3.32Å; C658-R664 PolarHBondContact SG-NH1 2.93Å; D660-R664 IonicContact OD1-NH1 2.83Å; D660-R664 PolarHBondContact OD1-NH1 2.94Å; D660-R664 IonicContact OD2-CZ 3.05Å; D660-R664 VanDerWaalsContact OD2-CZ 3.27Å; D660-R664 IonicContact OD2-NH1 3.2Å; D660-R664 PolarHBondContact OD2-NH1 3.07Å; D660-R664 IonicContact OD2-NH2 2.67Å; D660-R664 PolarHBondContact OD2-NH2 2.98Å; R664-Y666 HydrophobicContact CB-CD2 4.28Å; R664-Y666 HydrophobicContact CB-CE2 3.47Å; R664-Y666 VanDerWaalsContact CB-CE2 3.47Å; R664-Y666 WeakPolarHBondContact CD-OH 3.46Å; R664-T676 HydrophobicContact CG-CG2 4.04Å
665	L	94.7	Very high	91.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127	177.2	-165.5	78.8	0	0	0	109.1	L653 I654 L674 F675 F695 I729	L653-L665 HydrophobicContact CB-CD1 4.07Å; L653-L665 HydrophobicContact CB-CG 4.48Å; L653-L665 HydrophobicContact CD1-CD2 4.41Å; L653-L665 HydrophobicContact CD2-CD2 4.15Å; I654-L665 CarbonylContact O-C 3.55Å; I654-L665 WeakPolarHBondContact O-CA 3.44Å; L665-L674 HydrophobicContact CD2-CB 4.25Å; L665-L674 HydrophobicContact CD2-CD1 4.26Å; L665-L674 PolarHBondContact O-N 2.95Å; L665-F675 HydrophobicContact CB-CB 4.28Å; L665-F675 WeakPolarHBondContact CB-O 3.2Å; L665-F675 PolarHBondContact N-O 2.77Å; L665-F675 PolarHBondContact O-N 2.92Å; L665-F695 HydrophobicContact CD1-CE1 4.31Å; L665-F695 HydrophobicContact CD1-CZ 4.03Å; L665-I729 HydrophobicContact CD2-CD1 3.42Å; L665-I729 VanDerWaalsContact CD2-CD1 3.42Å
666	Y	94	Very high	91.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.7	179.5	-64.2	-101.1	0	0	0	111.1	F612 I654 L656 R664 G671 S672 I673	F612-Y666 HydrophobicContact CD1-CD1 4.3Å; F612-Y666 HydrophobicContact CD1-CE1 4.32Å; F612-Y666 HydrophobicContact CE1-CD1 4.11Å; F612-Y666 HydrophobicContact CE1-CD2 4.26Å; F612-Y666 AromaticContact CE1-CG 3.95Å; F612-Y666 HydrophobicContact CE1-CG 3.95Å; I654-Y666 PolarHBondContact N-O 3.03Å; I654-Y666 PolarHBondContact O-N 3.12Å; L656-Y666 HydrophobicContact CB-CE2 4.14Å; L656-Y666 HydrophobicContact CD1-CD2 4.03Å; L656-Y666 HydrophobicContact CD1-CE2 3.61Å; L656-Y666 HydrophobicContact CG-CD2 4.15Å; L656-Y666 HydrophobicContact CG-CE2 4.02Å; R664-Y666 HydrophobicContact CB-CD2 4.28Å; R664-Y666 HydrophobicContact CB-CE2 3.47Å; R664-Y666 VanDerWaalsContact CB-CE2 3.47Å; R664-Y666 WeakPolarHBondContact CD-OH 3.46Å; Y666-G671 WeakPolarHBondContact CD1-O 3.11Å; Y666-S672 VanDerWaalsContact CA-O 3.29Å; Y666-S672 WeakPolarHBondContact CA-O 3.45Å; Y666-I673 HydrophobicContact CD1-CG1 3.88Å; Y666-I673 HydrophobicContact CE1-CB 4.44Å; Y666-I673 HydrophobicContact CE1-CD1 4.13Å; Y666-I673 HydrophobicContact CE1-CG1 3.27Å; Y666-I673 HydrophobicContact CE2-CG1 4.43Å
667	D	92.6	Very high	91.4	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	138.7	165.7	75.9	-51.2	0	0	0	111	C650 T670 G671 S672 L674	C650-D667 HydrophobicContact CB-CB 4.41Å; C650-D667 WeakPolarHBondContact O-CB 3.45Å; D667-T670 PolarHBondContact OD1-OG1 2.76Å; D667-T670 VanDerWaalsContact OD2-CB 3.27Å; D667-T670 WeakPolarHBondContact OD2-CB 3.15Å; D667-T670 WeakPolarHBondContact OD2-CG2 3.46Å; D667-T670 PolarHBondContact OD2-N 3.45Å; D667-T670 PolarHBondContact OD2-OG1 3.15Å; D667-G671 WeakPolarHBondContact O-CA 3.11Å; D667-G671 PolarHBondContact O-N 3.33Å; D667-G671 PolarHBondContact OD1-N 2.95Å; D667-S672 PolarHBondContact N-O 2.97Å; D667-S672 WeakPolarHBondContact OD1-CA 3.44Å; D667-S672 WeakPolarHBondContact OD1-CB 3.45Å; D667-S672 PolarHBondContact OD1-N 2.89Å; D667-S672 VanDerWaalsContact OD1-O 3.06Å; D667-L674 HydrophobicContact CB-CD1 3.92Å; D667-L674 HydrophobicContact CB-CD2 4.14Å; D667-L674 HydrophobicContact CB-CG 4.07Å
668	S	93.3	Very high	91	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.049	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.4	179.4	72	0	0	0	0	115.4	W624 Y652	W624-S668 WeakPolarHBondContact CZ2-O 3.33Å; W624-S668 PolarHBondContact NE1-O 3.47Å; Y652-S668 PolarHBondContact N-OG 3.28Å; Y652-S668 WeakPolarHBondContact O-CB 3.36Å; Y652-S668 PolarHBondContact O-N 3.28Å
669	P	91.5	Very high	90.7	Very high	77 Å²	77	33 Å²	33	50%	0.5	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-40.6	-175	-18.7	34.6	0	0	0	113.6	W624 C650	W624-P669 PolarHBondContact NE1-O 3.26Å; W624-P669 VanDerWaalsContact NE1-O 3.12Å; C650-P669 WeakPolarHBondContact O-CD 3.23Å; C650-P669 WeakPolarHBondContact O-CG 3.41Å
670	T	90.3	Very high	90.6	Very high	65 Å²	65	31.6 Å²	31.6	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-16.4	-175.5	77.6	0	0	0	0	114.4	R626 D667 S672	R626-T670 PolarHBondContact NH2-O 2.99Å; D667-T670 PolarHBondContact OD1-OG1 2.76Å; D667-T670 VanDerWaalsContact OD2-CB 3.27Å; D667-T670 WeakPolarHBondContact OD2-CB 3.15Å; D667-T670 WeakPolarHBondContact OD2-CG2 3.46Å; D667-T670 PolarHBondContact OD2-N 3.45Å; D667-T670 PolarHBondContact OD2-OG1 3.15Å; T670-S672 PolarHBondContact O-N 3.13Å; T670-S672 WeakPolarHBondContact OG1-CB 3.32Å; T670-S672 PolarHBondContact OG1-N 2.87Å; T670-S672 PolarHBondContact OG1-OG 3.13Å
671	G	90.7	Very high	89.8	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.01	21%	0.209	C	C	.	.			trans	67.2	21.7	-176.3	0	0	0	0	0	113.1	R626 Y666 D667	R626-G671 WeakPolarHBondContact CG-O 3.44Å; Y666-G671 WeakPolarHBondContact CD1-O 3.11Å; D667-G671 WeakPolarHBondContact O-CA 3.11Å; D667-G671 PolarHBondContact O-N 3.33Å; D667-G671 PolarHBondContact OD1-N 2.95Å
672	S	91.1	Very high	88.8	Confident	54 Å²	54	38.8 Å²	38.8	38%	0.378	22%	0.22	S	C	.	.			trans	-82.8	147.3	176.9	-55	0	0	0	0	110.7	Y666 D667 T670 L674	Y666-S672 VanDerWaalsContact CA-O 3.29Å; Y666-S672 WeakPolarHBondContact CA-O 3.45Å; D667-S672 PolarHBondContact N-O 2.97Å; D667-S672 WeakPolarHBondContact OD1-CA 3.44Å; D667-S672 WeakPolarHBondContact OD1-CB 3.45Å; D667-S672 PolarHBondContact OD1-N 2.89Å; D667-S672 VanDerWaalsContact OD1-O 3.06Å; T670-S672 PolarHBondContact O-N 3.13Å; T670-S672 WeakPolarHBondContact OG1-CB 3.32Å; T670-S672 PolarHBondContact OG1-N 2.87Å; T670-S672 PolarHBondContact OG1-OG 3.13Å; S672-L674 PolarHBondContact O-N 2.8Å
673	I	90.8	Very high	87.1	Confident	77 Å²	77	36.3 Å²	36.3	40%	0.395	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	119.2	174.2	-61.2	170.3	0	0	0	108.5	Y666	Y666-I673 HydrophobicContact CD1-CG1 3.88Å; Y666-I673 HydrophobicContact CE1-CB 4.44Å; Y666-I673 HydrophobicContact CE1-CD1 4.13Å; Y666-I673 HydrophobicContact CE1-CG1 3.27Å; Y666-I673 HydrophobicContact CE2-CG1 4.43Å
674	L	90	Very high	85.2	Confident	36 Å²	36	38.2 Å²	38.2	19%	0.188	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-43.5	174.1	-66.9	177.1	0	0	0	111.4	L653 L665 D667 S672 I757	L653-L674 HydrophobicContact CD2-CD1 3.52Å; L665-L674 HydrophobicContact CD2-CB 4.25Å; L665-L674 HydrophobicContact CD2-CD1 4.26Å; L665-L674 PolarHBondContact O-N 2.95Å; D667-L674 HydrophobicContact CB-CD1 3.92Å; D667-L674 HydrophobicContact CB-CD2 4.14Å; D667-L674 HydrophobicContact CB-CG 4.07Å; S672-L674 PolarHBondContact O-N 2.8Å; L674-I757 HydrophobicContact CB-CD1 3.79Å; L674-I757 HydrophobicContact CD2-CD1 3.83Å; L674-I757 HydrophobicContact CG-CD1 4.38Å; L674-I757 VanDerWaalsContact O-CD1 3.26Å; L674-I757 WeakPolarHBondContact O-CD1 3.49Å
675	F	90.2	Very high	83.7	Confident	47 Å²	47	41.1 Å²	41.1	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	142.9	-175.6	177.7	-109.9	0	0	0	111.3	L665 C677 W727 V759	L665-F675 HydrophobicContact CB-CB 4.28Å; L665-F675 WeakPolarHBondContact CB-O 3.2Å; L665-F675 PolarHBondContact N-O 2.77Å; L665-F675 PolarHBondContact O-N 2.92Å; F675-C677 HydrophobicContact CE1-CB 4.18Å; F675-W727 HydrophobicContact CE1-CD2 4.39Å; F675-W727 HydrophobicContact CE1-CE3 4.06Å; F675-W727 HydrophobicContact CE1-CH2 4.48Å; F675-W727 HydrophobicContact CE1-CZ3 4.09Å; F675-W727 HydrophobicContact CZ-CE3 4.19Å; F675-W727 HydrophobicContact CZ-CH2 4.28Å; F675-W727 AromaticContact CZ-CZ3 3.83Å; F675-W727 HydrophobicContact CZ-CZ3 3.83Å; F675-V759 HydrophobicContact CB-CG2 4.5Å; F675-V759 HydrophobicContact CD1-CG1 4.21Å; F675-V759 HydrophobicContact CD1-CG2 4.32Å; F675-V759 HydrophobicContact CD2-CB 4.29Å; F675-V759 HydrophobicContact CD2-CG1 4.48Å; F675-V759 HydrophobicContact CD2-CG2 3.7Å; F675-V759 HydrophobicContact CE1-CG1 3.73Å; F675-V759 HydrophobicContact CE2-CB 3.99Å; F675-V759 HydrophobicContact CE2-CG1 4.04Å; F675-V759 HydrophobicContact CE2-CG2 3.93Å; F675-V759 HydrophobicContact CG-CG2 3.91Å; F675-V759 HydrophobicContact CZ-CB 4.12Å; F675-V759 HydrophobicContact CZ-CG1 3.64Å; F675-V759 HydrophobicContact CZ-CG2 4.34Å
676	T	91.9	Very high	82.6	Confident	50 Å²	50	44.9 Å²	44.9	31%	0.307	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116	172.4	-59.4	0	0	0	0	108.9	R662 R664 S678	R662-T676 HydrophobicContact CB-CG2 4.06Å; R662-T676 HydrophobicContact CG-CG2 4.41Å; R664-T676 HydrophobicContact CG-CG2 4.04Å; T676-S678 PolarHBondContact O-N 2.87Å
677	C	91.8	Very high	82	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.007	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-63.4	134.5	176.8	-57.1	0	0	0	0	110	V663 F675 F715 W727	V663-C677 HydrophobicContact CB-CB 4.06Å; V663-C677 WeakPolarHBondContact O-CB 3.47Å; V663-C677 PolarHBondContact O-N 3.11Å; V663-C677 PolarHBondContact O-SG 2.85Å; F675-C677 HydrophobicContact CE1-CB 4.18Å; C677-F715 VanDerWaalsContact SG-CZ 3.57Å; C677-W727 HydrophobicContact CB-CZ2 3.86Å
678	S	86.2	Confident	81.6	Confident	64 Å²	64	46.5 Å²	46.5	45%	0.448	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-62.4	147.2	173	62	0	0	0	0	111.1	T676	T676-S678 PolarHBondContact O-N 2.87Å
679	C	84.9	Confident	81.3	Confident	35 Å²	35	46.2 Å²	46.2	24%	0.236	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-57.7	155.6	171	-58.2	0	0	0	0	110.8	R662	R662-C679 WeakPolarHBondContact CG-SG 3.49Å
680	I	82.8	Confident	81.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-90.9	125.7	168.2	-57.8	-166.1	0	0	0	107.3	S682 S687 P688 Y719 R725	I680-S682 PolarHBondContact O-N 3Å; I680-S687 WeakPolarHBondContact O-CA 3.3Å; I680-S687 VanDerWaalsContact O-CB 3.28Å; I680-S687 WeakPolarHBondContact O-CB 3.24Å; I680-P688 HydrophobicContact CB-CG 3.75Å; I680-P688 HydrophobicContact CD1-CG 4.45Å; I680-P688 HydrophobicContact CG1-CG 4.48Å; I680-P688 HydrophobicContact CG2-CG 3.94Å; I680-P688 VanDerWaalsContact O-CD 3.27Å; I680-P688 WeakPolarHBondContact O-CD 3.22Å; I680-Y719 HydrophobicContact CD1-CD1 3.83Å; I680-Y719 HydrophobicContact CD1-CD2 3.4Å; I680-Y719 HydrophobicContact CD1-CE1 3.75Å; I680-Y719 HydrophobicContact CD1-CE2 3.32Å; I680-Y719 HydrophobicContact CD1-CG 3.65Å; I680-Y719 VanDerWaalsContact CD1-CZ 3.48Å; I680-Y719 HydrophobicContact CG1-CD1 4.32Å; I680-Y719 HydrophobicContact CG1-CE1 3.95Å; I680-Y719 HydrophobicContact CG1-CE2 4.23Å; I680-R725 HydrophobicContact CD1-CG 3.97Å; I680-R725 VanDerWaalsContact CD1-NE 3.32Å; I680-R725 VanDerWaalsContact CG1-CZ 3.47Å
681	D	71.7	Confident	81.2	Confident	151 Å²	151	39.7 Å²	39.7	81%	0.807	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-64.4	129.2	170.3	-54.7	-41.1	0	0	0	109.1
682	S	66.4	Low	81.2	Confident	35 Å²	35	41 Å²	41	25%	0.245	26%	0.256	C	S	.	.			trans	-114.2	145.4	172.2	-173.1	0	0	0	0	108.8	I680 S684 G685 H686	I680-S682 PolarHBondContact O-N 3Å; S682-S684 PolarHBondContact O-N 2.97Å; S682-S684 PolarHBondContact OG-N 3.04Å; S682-S684 PolarHBondContact OG-OG 2.7Å; S682-G685 PolarHBondContact O-N 3.21Å; S682-H686 WeakPolarHBondContact CB-O 3.48Å; S682-H686 PolarHBondContact OG-O 2.87Å
683	V	55.2	Low	81.4	Confident	42 Å²	42	39 Å²	39	26%	0.255	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.8	171.9	175.4	0	0	0	0	111.4	R304 K339 G685	R304-V683 HydrophobicContact CG-CG1 4.06Å; R304-V683 VanDerWaalsContact CZ-CG1 3.47Å; K339-V683 HydrophobicContact CD-CG2 3.98Å; V683-G685 PolarHBondContact O-N 3.36Å
684	S	54.3	Low	81.6	Confident	39 Å²	39	35.6 Å²	35.6	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	3.8	-179.9	61.4	0	0	0	0	114.3	S682 H686	S682-S684 PolarHBondContact O-N 2.97Å; S682-S684 PolarHBondContact OG-N 3.04Å; S682-S684 PolarHBondContact OG-OG 2.7Å; S684-H686 PolarHBondContact O-CD2 3.13Å; S684-H686 PolarHBondContact O-N 2.73Å; S684-H686 PolarHBondContact OG-O 2.9Å
685	G	63.4	Low	81.8	Confident	69 Å²	69	34.8 Å²	34.8	71%	0.711	22%	0.22	S	C	*	.	S	Bend	trans	73.7	-16.2	-172.7	0	0	0	0	0	114.7	S682 V683	S682-G685 PolarHBondContact O-N 3.21Å; V683-G685 PolarHBondContact O-N 3.36Å
686	H	72.1	Confident	81.8	Confident	81 Å²	81	33.2 Å²	33.2	38%	0.375	21%	0.214	S	C	.	.	S	Bend	trans	-105.6	119.4	177.6	-63.3	-74.5	0	0	0	111.8	S682 S684	S682-H686 WeakPolarHBondContact CB-O 3.48Å; S682-H686 PolarHBondContact OG-O 2.87Å; S684-H686 PolarHBondContact O-CD2 3.13Å; S684-H686 PolarHBondContact O-N 2.73Å; S684-H686 PolarHBondContact OG-O 2.9Å
687	S	81.8	Confident	81.2	Confident	35 Å²	35	35 Å²	35	25%	0.245	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.7	132.7	177.2	50	0	0	0	0	111.9	A661 I680	A661-S687 WeakPolarHBondContact CB-OG 3.27Å; I680-S687 WeakPolarHBondContact O-CA 3.3Å; I680-S687 VanDerWaalsContact O-CB 3.28Å; I680-S687 WeakPolarHBondContact O-CB 3.24Å
688	P	83.2	Confident	80.3	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.058	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-67.9	143.5	-178.5	32.5	-36.7	0	0	0	110.7	A661 I680 Y719 T720 N721	A661-P688 WeakPolarHBondContact CB-O 3.38Å; I680-P688 HydrophobicContact CB-CG 3.75Å; I680-P688 HydrophobicContact CD1-CG 4.45Å; I680-P688 HydrophobicContact CG1-CG 4.48Å; I680-P688 HydrophobicContact CG2-CG 3.94Å; I680-P688 VanDerWaalsContact O-CD 3.27Å; I680-P688 WeakPolarHBondContact O-CD 3.22Å; P688-Y719 HydrophobicContact CG-CD1 4.32Å; P688-Y719 WeakPolarHBondContact O-CD1 3.25Å; P688-T720 WeakPolarHBondContact CB-OG1 3.34Å; P688-N721 HydrophobicContact CB-CB 4.22Å
689	L	86.7	Confident	78.9	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-83.5	150.8	-177.4	-66.2	173.7	0	0	0	111.2	F49 A661 Y719 T720	F49-L689 HydrophobicContact CB-CD1 4.09Å; F49-L689 HydrophobicContact CD1-CD1 3.55Å; F49-L689 HydrophobicContact CD2-CB 4.24Å; F49-L689 HydrophobicContact CD2-CD1 3.51Å; F49-L689 HydrophobicContact CD2-CG 4.49Å; F49-L689 HydrophobicContact CE1-CD1 3.71Å; F49-L689 HydrophobicContact CE2-CB 4.07Å; F49-L689 HydrophobicContact CE2-CD1 3.59Å; F49-L689 HydrophobicContact CE2-CG 4.49Å; F49-L689 HydrophobicContact CG-CD1 3.45Å; F49-L689 VanDerWaalsContact CG-CD1 3.45Å; F49-L689 HydrophobicContact CZ-CD1 3.73Å; A661-L689 HydrophobicContact CB-CD2 3.87Å; L689-Y719 CarbonylContact O-C 3.57Å; L689-Y719 VanDerWaalsContact O-CA 3.25Å; L689-Y719 WeakPolarHBondContact O-CA 3.41Å; L689-T720 HydrophobicContact CB-CG2 3.9Å; L689-T720 PolarHBondContact N-OG1 2.88Å; L689-T720 WeakPolarHBondContact O-CG2 3.23Å; L689-T720 PolarHBondContact O-N 3Å
690	P	91.5	Very high	77.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.5	173.6	31.5	-35.9	0	0	0	110.3	H639 I640 V663 V717 Y719	H639-P690 PolarHBondContact NE2-O 2.85Å; I640-P690 HydrophobicContact CD1-CB 3.77Å; I640-P690 HydrophobicContact CD1-CG 4.13Å; V663-P690 HydrophobicContact CG2-CB 3.7Å; V663-P690 HydrophobicContact CG2-CG 3.94Å; P690-V717 HydrophobicContact CB-CG1 3.71Å; P690-Y719 HydrophobicContact CB-CD1 4.46Å; P690-Y719 HydrophobicContact CB-CE1 4.36Å
691	V	88.5	Confident	75.7	Confident	5 Å²	5	48 Å²	48	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-40.7	-179	165.3	0	0	0	0	111.2	L718 T720	V691-L718 HydrophobicContact CB-CG 4.42Å; V691-L718 HydrophobicContact CG1-CD2 4.19Å; V691-L718 PolarHBondContact N-O 2.85Å; V691-T720 HydrophobicContact CG2-CG2 3.68Å
692	S	91.3	Very high	74	Confident	28 Å²	28	44.4 Å²	44.4	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	142.8	-177	178.3	0	0	0	0	110.3	V717 L718 V786	S692-V717 WeakPolarHBondContact O-CA 3.48Å; S692-L718 PolarHBondContact N-O 3.48Å; S692-L718 PolarHBondContact O-N 2.9Å; S692-V786 WeakPolarHBondContact OG-CG1 3.34Å
693	I	94.9	Very high	72.6	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.056	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.7	177.3	-62.2	163.2	0	0	0	107.7	I640 S642 V663 F695 F715 S716 V717	I640-I693 HydrophobicContact CD1-CD1 3.62Å; I640-I693 HydrophobicContact CD1-CG1 3.67Å; I640-I693 HydrophobicContact CG1-CD1 3.97Å; S642-I693 VanDerWaalsContact CB-O 3.25Å; S642-I693 WeakPolarHBondContact CB-O 3.36Å; S642-I693 PolarHBondContact OG-O 2.81Å; V663-I693 HydrophobicContact CG1-CD1 3.67Å; V663-I693 HydrophobicContact CG1-CG1 4.36Å; V663-I693 HydrophobicContact CG2-CD1 4.25Å; I693-F695 HydrophobicContact CG2-CD2 4.43Å; I693-F695 HydrophobicContact CG2-CE2 3.89Å; I693-F695 HydrophobicContact CG2-CZ 4.33Å; I693-F715 HydrophobicContact CG2-CD2 4.17Å; I693-S716 WeakPolarHBondContact CA-O 3.43Å; I693-V717 HydrophobicContact CG1-CG1 4.48Å; I693-V717 HydrophobicContact CG1-CG2 4.37Å
694	A	94.5	Very high	71.6	Confident	7 Å²	7	54 Å²	54	6%	0.058	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.7	177.9	0	0	0	0	0	110.8	F715 S716 V786 Y788	A694-F715 WeakPolarHBondContact O-CA 3.27Å; A694-F715 WeakPolarHBondContact O-CB 3.08Å; A694-S716 PolarHBondContact N-O 2.91Å; A694-S716 PolarHBondContact O-N 3.08Å; A694-V786 HydrophobicContact CB-CG1 4.04Å; A694-V786 HydrophobicContact CB-CG2 4.26Å; A694-Y788 HydrophobicContact CB-CD2 3.92Å; A694-Y788 HydrophobicContact CB-CE2 4.07Å; A694-Y788 WeakPolarHBondContact O-CE2 3.31Å
695	F	94.1	Very high	70.5	Confident	19 Å²	19	55.4 Å²	55.4	8%	0.083	33%	0.332	C	S	.	.			trans	-108.4	144.8	168.2	-68.7	-85.3	0	0	0	109.4	L653 L665 I693 F715	L653-F695 HydrophobicContact CB-CE1 4.06Å; L653-F695 HydrophobicContact CB-CZ 4.3Å; L653-F695 HydrophobicContact CD1-CE1 4.46Å; L665-F695 HydrophobicContact CD1-CE1 4.31Å; L665-F695 HydrophobicContact CD1-CZ 4.03Å; I693-F695 HydrophobicContact CG2-CD2 4.43Å; I693-F695 HydrophobicContact CG2-CE2 3.89Å; I693-F695 HydrophobicContact CG2-CZ 4.33Å; F695-F715 HydrophobicContact CD1-CB 3.52Å; F695-F715 HydrophobicContact CE1-CB 3.5Å; F695-F715 VanDerWaalsContact CE1-CB 3.5Å; F695-F715 HydrophobicContact CE1-CD1 4.44Å; F695-F715 HydrophobicContact CE1-CG 4.02Å; F695-F715 HydrophobicContact CG-CB 4.24Å; F695-F715 HydrophobicContact CZ-CB 4.19Å
696	P	90.5	Very high	69.6	Low	14 Å²	14	58.6 Å²	58.6	9%	0.091	34%	0.34	C	S	.	.			trans	-71	146.5	172	30.1	-32.8	0	0	0	110.8	R714 Y788	P696-R714 WeakPolarHBondContact CD-O 3.18Å; P696-R714 HydrophobicContact CG-CB 4.47Å; P696-Y788 HydrophobicContact CB-CD1 4.05Å; P696-Y788 HydrophobicContact CB-CD2 4.26Å; P696-Y788 HydrophobicContact CB-CE1 4.38Å; P696-Y788 HydrophobicContact CB-CG 3.96Å
697	N	80.4	Confident	68.4	Low	86 Å²	86	62.1 Å²	62.1	46%	0.46	36%	0.36	S	S	.	.	S	Bend	trans	-80.7	-18.3	178.7	-70.8	-23.6	0	0	0	113.6	N645	N645-N697 PolarHBondContact ND2-OD1 3.28Å
698	I	71.7	Confident	66.7	Low	71 Å²	71	64.9 Å²	64.9	36%	0.364	38%	0.375	S	S	.	.	S	Bend	trans	-111.5	128.2	-173.2	-56.4	170.1	0	0	0	109.2	I646 P791 E849	I646-I698 VanDerWaalsContact CD1-C 3.49Å; I698-P791 HydrophobicContact CB-CG 4.37Å; I698-E849 WeakPolarHBondContact CD1-OE1 3.45Å
699	S	58.1	Low	65.2	Low	52 Å²	52	69.3 Å²	69.3	36%	0.364	40%	0.402	S	S	.	.			trans	-76.5	125.5	168.5	58.4	0	0	0	0	109.4	Q701	S699-Q701 VanDerWaalsContact C-N 3.31Å; S699-Q701 PolarHBondContact O-N 3.47Å
700	E	52.6	Low	63.9	Low	77 Å²	77	71.8 Å²	71.8	36%	0.36	42%	0.415	S	S	.	.			trans	-66.3	94.2	164.4	-73.9	-177.5	169.5	0	0	108.2	S702 R714	E700-S702 PolarHBondContact O-N 2.83Å; E700-R714 VanDerWaalsContact CD-CZ 3.47Å; E700-R714 IonicContact OE1-CZ 3.06Å; E700-R714 IonicContact OE1-NH1 2.68Å; E700-R714 PolarHBondContact OE1-NH1 3.3Å; E700-R714 IonicContact OE1-NH2 2.89Å; E700-R714 PolarHBondContact OE1-NH2 3.29Å; E700-R714 IonicContact OE2-CZ 3.26Å; E700-R714 VanDerWaalsContact OE2-CZ 3.26Å; E700-R714 IonicContact OE2-NE 3.61Å; E700-R714 IonicContact OE2-NH1 2.84Å; E700-R714 IonicContact OE2-NH2 2.63Å; E700-R714 PolarHBondContact OE2-NH2 3.11Å
701	Q	47.1	Very low	62.8	Low	174 Å²	174	72.8 Å²	72.8	81%	0.813	42%	0.422	S	S	*	.			trans	-71.5	109.3	159.7	-70.9	-175.5	-4.5	0	0	106.4	S699 A703	S699-Q701 VanDerWaalsContact C-N 3.31Å; S699-Q701 PolarHBondContact O-N 3.47Å; Q701-A703 PolarHBondContact O-N 3.29Å; Q701-A703 VanDerWaalsContact O-N 3.08Å
702	S	35.7	Very low	62.4	Low	76 Å²	76	77.4 Å²	77.4	53%	0.531	44%	0.442	S	S	.	.			trans	-61.9	111.5	166.1	49.1	0	0	0	0	108	E700 E704	E700-S702 PolarHBondContact O-N 2.83Å; S702-E704 PolarHBondContact O-N 2.93Å
703	A	36.4	Very low	62.2	Low	105 Å²	105	77.1 Å²	77.1	87%	0.868	44%	0.437	S	S	*	.	S	Bend	trans	-66.5	-0	176.6	0	0	0	0	0	113.7	Q701	Q701-A703 PolarHBondContact O-N 3.29Å; Q701-A703 VanDerWaalsContact O-N 3.08Å
704	E	34.6	Very low	62	Low	175 Å²	175	78.3 Å²	78.3	82%	0.818	44%	0.441	S	S	*	.	S	Bend	trans	-133.1	80.5	-171.7	-65.8	-177.7	173.4	0	0	111.1	S702	S702-E704 PolarHBondContact O-N 2.93Å
705	S	32	Very low	62.1	Low	68 Å²	68	78 Å²	78	48%	0.476	44%	0.438	S	S	.	.			trans	152.1	108.8	145.3	64.9	0	0	0	0	110.6	I707	S705-I707 VanDerWaalsContact C-N 3.28Å; S705-I707 PolarHBondContact O-N 3.18Å
706	P	44.7	Very low	62.1	Low	135 Å²	135	77 Å²	77	88%	0.877	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	10.7	-174.8	29	-32.4	0	0	0	115.7
707	I	46.1	Very low	62.3	Low	156 Å²	156	76.4 Å²	76.4	80%	0.8	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-9.1	-166.1	-59	174.9	0	0	0	114.4	S705	S705-I707 VanDerWaalsContact C-N 3.28Å; S705-I707 PolarHBondContact O-N 3.18Å
708	T	45.2	Very low	62.9	Low	92 Å²	92	72.3 Å²	72.3	56%	0.564	41%	0.408	S	S	*	.			trans	-119.7	117.2	175.5	56.8	0	0	0	0	110.9	L710	T708-L710 PolarHBondContact O-N 3.46Å
709	T	53.3	Low	63.7	Low	102 Å²	102	68.9 Å²	68.9	63%	0.626	39%	0.391	S	S	*	.			trans	-68.1	61.6	170.2	44.3	0	0	0	0	110.7
710	L	59	Low	64.8	Low	54 Å²	54	66.8 Å²	66.8	28%	0.283	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	96.5	-174.9	-165.2	78.2	0	0	0	109	T708 K712 T730 K732	T708-L710 PolarHBondContact O-N 3.46Å; L710-K712 HydrophobicContact CD2-CG 4.45Å; L710-K712 PolarHBondContact O-N 3.38Å; L710-T730 HydrophobicContact CD1-CG2 3.21Å; L710-T730 HydrophobicContact CD2-CG2 3.74Å; L710-T730 HydrophobicContact CG-CG2 3.32Å; L710-K732 HydrophobicContact CD1-CD 4.07Å; L710-K732 HydrophobicContact CD1-CG 3.36Å
711	S	68.3	Low	65.9	Low	21 Å²	21	65 Å²	65	15%	0.147	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.7	176.5	54.6	0	0	0	0	109.9	D649 H713 I731	D649-S711 WeakPolarHBondContact OD2-CB 3.38Å; D649-S711 PolarHBondContact OD2-OG 2.87Å; S711-H713 WeakPolarHBondContact CB-NE2 3.35Å; S711-I731 PolarHBondContact O-N 2.95Å; S711-I731 VanDerWaalsContact O-N 3.1Å
712	K	79.3	Confident	67.5	Low	102 Å²	102	57 Å²	57	44%	0.443	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	120.7	177.9	-70.6	-178.9	-176.3	170.7	0	109.8	L710 T730	L710-K712 HydrophobicContact CD2-CG 4.45Å; L710-K712 PolarHBondContact O-N 3.38Å; K712-T730 HydrophobicContact CG-CG2 4.26Å
713	H	88.1	Confident	70	Confident	22 Å²	22	55.9 Å²	55.9	10%	0.102	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.3	178.9	-62.6	-71.7	0	0	0	110.5	T648 L653 S711 K728 I729	T648-H713 VanDerWaalsContact CG2-CE1 3.44Å; T648-H713 WeakPolarHBondContact CG2-CE1 3.33Å; T648-H713 VanDerWaalsContact CG2-NE2 3.25Å; T648-H713 WeakPolarHBondContact CG2-NE2 3.32Å; L653-H713 HydrophobicContact CD1-CB 4.1Å; S711-H713 WeakPolarHBondContact CB-NE2 3.35Å; H713-K728 CarbonylContact O-C 3.49Å; H713-K728 WeakPolarHBondContact O-CA 3.19Å; H713-I729 PolarHBondContact N-O 2.96Å; H713-I729 PolarHBondContact O-N 2.89Å; H713-I729 VanDerWaalsContact O-O 3.09Å
714	R	91.2	Very high	72.7	Confident	36 Å²	36	50.9 Å²	50.9	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.9	176.2	-54.2	-173.5	-177.3	145.3	7	109.8	P696 E700 E726 W727 K728	P696-R714 WeakPolarHBondContact CD-O 3.18Å; P696-R714 HydrophobicContact CG-CB 4.47Å; E700-R714 VanDerWaalsContact CD-CZ 3.47Å; E700-R714 IonicContact OE1-CZ 3.06Å; E700-R714 IonicContact OE1-NH1 2.68Å; E700-R714 PolarHBondContact OE1-NH1 3.3Å; E700-R714 IonicContact OE1-NH2 2.89Å; E700-R714 PolarHBondContact OE1-NH2 3.29Å; E700-R714 IonicContact OE2-CZ 3.26Å; E700-R714 VanDerWaalsContact OE2-CZ 3.26Å; E700-R714 IonicContact OE2-NE 3.61Å; E700-R714 IonicContact OE2-NH1 2.84Å; E700-R714 IonicContact OE2-NH2 2.63Å; E700-R714 PolarHBondContact OE2-NH2 3.11Å; R714-E726 HydrophobicContact CB-CG 4.5Å; R714-W727 CarbonylContact C-O 3.58Å; R714-W727 WeakPolarHBondContact CA-O 3.23Å; R714-K728 HydrophobicContact CG-CB 4.37Å; R714-K728 HydrophobicContact CG-CG 4Å
715	F	94.6	Very high	75.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154	168.1	71.2	-77.8	0	0	0	109.7	V663 C677 I693 A694 F695 V717 E726 W727 I729	V663-F715 HydrophobicContact CG1-CE2 4.3Å; C677-F715 VanDerWaalsContact SG-CZ 3.57Å; I693-F715 HydrophobicContact CG2-CD2 4.17Å; A694-F715 WeakPolarHBondContact O-CA 3.27Å; A694-F715 WeakPolarHBondContact O-CB 3.08Å; F695-F715 HydrophobicContact CD1-CB 3.52Å; F695-F715 HydrophobicContact CE1-CB 3.5Å; F695-F715 VanDerWaalsContact CE1-CB 3.5Å; F695-F715 HydrophobicContact CE1-CD1 4.44Å; F695-F715 HydrophobicContact CE1-CG 4.02Å; F695-F715 HydrophobicContact CG-CB 4.24Å; F695-F715 HydrophobicContact CZ-CB 4.19Å; F715-V717 HydrophobicContact CD2-CG2 3.86Å; F715-V717 HydrophobicContact CE2-CG2 3.58Å; F715-E726 WeakPolarHBondContact O-CA 3.39Å; F715-W727 HydrophobicContact CD1-CB 3.92Å; F715-W727 HydrophobicContact CE1-CB 3.35Å; F715-W727 AromaticContact CE1-CG 3.98Å; F715-W727 HydrophobicContact CE1-CG 3.98Å; F715-W727 HydrophobicContact CE2-CB 4.39Å; F715-W727 AromaticContact CE2-CD1 3.79Å; F715-W727 HydrophobicContact CE2-CG 4.32Å; F715-W727 HydrophobicContact CZ-CB 3.65Å; F715-W727 AromaticContact CZ-CD1 3.64Å; F715-W727 AromaticContact CZ-CG 3.73Å; F715-W727 HydrophobicContact CZ-CG 3.73Å; F715-W727 PolarHBondContact N-O 2.93Å; F715-W727 PolarHBondContact O-N 3.08Å; F715-I729 HydrophobicContact CD1-CD1 3.52Å; F715-I729 HydrophobicContact CD1-CG1 4.24Å; F715-I729 HydrophobicContact CE1-CD1 3.39Å; F715-I729 HydrophobicContact CE1-CG1 3.91Å
716	S	95.4	Very high	78.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.9	180	-88.1	0	0	0	0	110.8	I693 A694 R725 Y788 W794	I693-S716 WeakPolarHBondContact CA-O 3.43Å; A694-S716 PolarHBondContact N-O 2.91Å; A694-S716 PolarHBondContact O-N 3.08Å; S716-R725 CarbonylContact C-O 3.58Å; S716-R725 VanDerWaalsContact CA-O 3.29Å; S716-R725 WeakPolarHBondContact CA-O 3.27Å; S716-Y788 PolarHBondContact N-OH 2.97Å; S716-Y788 PolarHBondContact OG-OH 2.91Å; S716-W794 PolarHBondContact OG-NE1 2.93Å
717	V	95.2	Very high	80.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.7	174.6	-172.6	0	0	0	0	108.4	V663 P690 S692 I693 F715 Y719 R725	V663-V717 HydrophobicContact CB-CG2 4.48Å; V663-V717 HydrophobicContact CG1-CG2 4.44Å; V663-V717 HydrophobicContact CG2-CG1 3.79Å; V663-V717 HydrophobicContact CG2-CG2 4.04Å; P690-V717 HydrophobicContact CB-CG1 3.71Å; S692-V717 WeakPolarHBondContact O-CA 3.48Å; I693-V717 HydrophobicContact CG1-CG1 4.48Å; I693-V717 HydrophobicContact CG1-CG2 4.37Å; F715-V717 HydrophobicContact CD2-CG2 3.86Å; F715-V717 HydrophobicContact CE2-CG2 3.58Å; V717-Y719 HydrophobicContact CB-CD2 4.39Å; V717-Y719 HydrophobicContact CB-CE2 3.58Å; V717-Y719 HydrophobicContact CG1-CD1 4.45Å; V717-Y719 HydrophobicContact CG1-CD2 4.03Å; V717-Y719 HydrophobicContact CG1-CE1 3.95Å; V717-Y719 HydrophobicContact CG1-CE2 3.44Å; V717-Y719 VanDerWaalsContact CG1-CE2 3.44Å; V717-Y719 VanDerWaalsContact CG1-CZ 3.41Å; V717-Y719 WeakPolarHBondContact O-CD2 3.16Å; V717-Y719 WeakPolarHBondContact O-CE2 3.22Å; V717-R725 PolarHBondContact N-O 3.46Å; V717-R725 PolarHBondContact O-N 3.46Å
718	L	92.4	Very high	83	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	137.9	169.8	179.6	66.6	0	0	0	108.9	V691 S692 L724 F783 V786	V691-L718 HydrophobicContact CB-CG 4.42Å; V691-L718 HydrophobicContact CG1-CD2 4.19Å; V691-L718 PolarHBondContact N-O 2.85Å; S692-L718 PolarHBondContact N-O 3.48Å; S692-L718 PolarHBondContact O-N 2.9Å; L718-L724 HydrophobicContact CB-CD1 4.25Å; L718-F783 HydrophobicContact CD1-CB 4.04Å; L718-F783 HydrophobicContact CD2-CB 3.89Å; L718-V786 HydrophobicContact CB-CB 4.28Å; L718-V786 HydrophobicContact CB-CG1 3.74Å; L718-V786 HydrophobicContact CD2-CB 4.41Å; L718-V786 HydrophobicContact CD2-CG1 4.44Å
719	Y	88	Confident	85.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	164.9	-175.5	-66.4	-95.3	0	0	0	112.9	I680 P688 L689 P690 V717 N721 G722 Q723 R725	I680-Y719 HydrophobicContact CD1-CD1 3.83Å; I680-Y719 HydrophobicContact CD1-CD2 3.4Å; I680-Y719 HydrophobicContact CD1-CE1 3.75Å; I680-Y719 HydrophobicContact CD1-CE2 3.32Å; I680-Y719 HydrophobicContact CD1-CG 3.65Å; I680-Y719 VanDerWaalsContact CD1-CZ 3.48Å; I680-Y719 HydrophobicContact CG1-CD1 4.32Å; I680-Y719 HydrophobicContact CG1-CE1 3.95Å; I680-Y719 HydrophobicContact CG1-CE2 4.23Å; P688-Y719 HydrophobicContact CG-CD1 4.32Å; P688-Y719 WeakPolarHBondContact O-CD1 3.25Å; L689-Y719 CarbonylContact O-C 3.57Å; L689-Y719 VanDerWaalsContact O-CA 3.25Å; L689-Y719 WeakPolarHBondContact O-CA 3.41Å; P690-Y719 HydrophobicContact CB-CD1 4.46Å; P690-Y719 HydrophobicContact CB-CE1 4.36Å; V717-Y719 HydrophobicContact CB-CD2 4.39Å; V717-Y719 HydrophobicContact CB-CE2 3.58Å; V717-Y719 HydrophobicContact CG1-CD1 4.45Å; V717-Y719 HydrophobicContact CG1-CD2 4.03Å; V717-Y719 HydrophobicContact CG1-CE1 3.95Å; V717-Y719 HydrophobicContact CG1-CE2 3.44Å; V717-Y719 VanDerWaalsContact CG1-CE2 3.44Å; V717-Y719 VanDerWaalsContact CG1-CZ 3.41Å; V717-Y719 WeakPolarHBondContact O-CD2 3.16Å; V717-Y719 WeakPolarHBondContact O-CE2 3.22Å; Y719-N721 WeakPolarHBondContact CB-OD1 3.2Å; Y719-N721 PolarHBondContact O-N 3.47Å; Y719-N721 VanDerWaalsContact O-N 3.16Å; Y719-G722 WeakPolarHBondContact O-CA 3.33Å; Y719-G722 PolarHBondContact O-N 2.92Å; Y719-Q723 PolarHBondContact N-O 2.78Å; Y719-R725 HydrophobicContact CE2-CB 4.11Å; Y719-R725 HydrophobicContact CE2-CG 4.24Å
720	T	81	Confident	86.7	Confident	7 Å²	7	23.6 Å²	23.6	4%	0.043	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.5	-177.1	52.3	0	0	0	0	114.5	N47 F49 P688 L689 V691 G722	N47-T720 PolarHBondContact ND2-O 2.98Å; F49-T720 HydrophobicContact CD2-CG2 3.92Å; F49-T720 HydrophobicContact CE2-CG2 4.47Å; P688-T720 WeakPolarHBondContact CB-OG1 3.34Å; L689-T720 HydrophobicContact CB-CG2 3.9Å; L689-T720 PolarHBondContact N-OG1 2.88Å; L689-T720 WeakPolarHBondContact O-CG2 3.23Å; L689-T720 PolarHBondContact O-N 3Å; V691-T720 HydrophobicContact CG2-CG2 3.68Å; T720-G722 PolarHBondContact O-N 3.11Å
721	N	76.4	Confident	87.8	Confident	41 Å²	41	21.1 Å²	21.1	22%	0.219	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.2	172.1	67	-5.6	0	0	0	113.2	P688 Y719 Q723	P688-N721 HydrophobicContact CB-CB 4.22Å; Y719-N721 WeakPolarHBondContact CB-OD1 3.2Å; Y719-N721 PolarHBondContact O-N 3.47Å; Y719-N721 VanDerWaalsContact O-N 3.16Å; N721-Q723 VanDerWaalsContact C-N 3.28Å; N721-Q723 PolarHBondContact ND2-OE1 3.42Å; N721-Q723 PolarHBondContact O-N 2.97Å; N721-Q723 VanDerWaalsContact OD1-CB 3.3Å; N721-Q723 WeakPolarHBondContact OD1-CB 3.45Å; N721-Q723 WeakPolarHBondContact OD1-CG 3.32Å; N721-Q723 PolarHBondContact OD1-N 3.12Å
722	G	81.2	Confident	88.2	Confident	4 Å²	4	24.7 Å²	24.7	4%	0.041	11%	0.111	C	C	.	.	S	Bend	trans	81.8	-4.6	-178.1	0	0	0	0	0	114.7	Y719 T720 W769	Y719-G722 WeakPolarHBondContact O-CA 3.33Å; Y719-G722 PolarHBondContact O-N 2.92Å; T720-G722 PolarHBondContact O-N 3.11Å; G722-W769 WeakPolarHBondContact O-CH2 3.24Å
723	Q	86.9	Confident	87.6	Confident	53 Å²	53	24.5 Å²	24.5	25%	0.248	11%	0.112	C	C	.	.			trans	-72.4	144.3	-179.8	-66.4	-178.7	-5.4	0	0	111.7	Y719 N721 W769	Y719-Q723 PolarHBondContact N-O 2.78Å; N721-Q723 VanDerWaalsContact C-N 3.28Å; N721-Q723 PolarHBondContact ND2-OE1 3.42Å; N721-Q723 PolarHBondContact O-N 2.97Å; N721-Q723 VanDerWaalsContact OD1-CB 3.3Å; N721-Q723 WeakPolarHBondContact OD1-CB 3.45Å; N721-Q723 WeakPolarHBondContact OD1-CG 3.32Å; N721-Q723 PolarHBondContact OD1-N 3.12Å; Q723-W769 HydrophobicContact CB-CD2 4.36Å; Q723-W769 HydrophobicContact CB-CE3 4.47Å; Q723-W769 HydrophobicContact CB-CG 4.5Å; Q723-W769 HydrophobicContact CG-CB 4.48Å; Q723-W769 HydrophobicContact CG-CD2 4.36Å; Q723-W769 HydrophobicContact CG-CE3 4.12Å
724	L	93.3	Very high	86.2	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.4	173.7	-175.3	73	0	0	0	109.6	L718 L765 W769 V786 W794 L796 L805	L718-L724 HydrophobicContact CB-CD1 4.25Å; L724-L765 HydrophobicContact CB-CD2 4.44Å; L724-L765 HydrophobicContact CD2-CD1 4.46Å; L724-L765 HydrophobicContact CD2-CD2 4.11Å; L724-L765 HydrophobicContact CG-CD2 4.04Å; L724-L765 WeakPolarHBondContact O-CD2 3.28Å; L724-L765 WeakPolarHBondContact O-CG 3.5Å; L724-W769 HydrophobicContact CB-CZ2 3.8Å; L724-W769 VanDerWaalsContact N-CE2 3.33Å; L724-W769 PolarHBondContact O-NE1 2.97Å; L724-W769 VanDerWaalsContact O-NE1 3.12Å; L724-V786 HydrophobicContact CD1-CB 4.31Å; L724-V786 HydrophobicContact CD1-CG1 4.5Å; L724-V786 HydrophobicContact CD1-CG2 3.76Å; L724-W794 HydrophobicContact CD2-CB 4.24Å; L724-W794 HydrophobicContact CD2-CD2 3.96Å; L724-W794 HydrophobicContact CD2-CG 3.79Å; L724-L796 HydrophobicContact CD1-CD2 4.45Å; L724-L796 HydrophobicContact CD2-CD2 4.33Å; L724-L805 HydrophobicContact CD2-CD2 4.43Å
725	R	93.8	Very high	84.4	Confident	47 Å²	47	29.5 Å²	29.5	18%	0.177	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.9	168.5	-70.4	-166.8	175.3	-174.9	0.1	110.1	I680 S716 V717 Y719 L761	I680-R725 HydrophobicContact CD1-CG 3.97Å; I680-R725 VanDerWaalsContact CD1-NE 3.32Å; I680-R725 VanDerWaalsContact CG1-CZ 3.47Å; S716-R725 CarbonylContact C-O 3.58Å; S716-R725 VanDerWaalsContact CA-O 3.29Å; S716-R725 WeakPolarHBondContact CA-O 3.27Å; V717-R725 PolarHBondContact N-O 3.46Å; V717-R725 PolarHBondContact O-N 3.46Å; Y719-R725 HydrophobicContact CE2-CB 4.11Å; Y719-R725 HydrophobicContact CE2-CG 4.24Å; R725-L761 HydrophobicContact CB-CD1 4.18Å
726	E	94.9	Very high	81.9	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.4	173.1	178.1	-177.4	-120.1	0	0	109.6	R714 F715 L761 N762 L765 Y788 W794	R714-E726 HydrophobicContact CB-CG 4.5Å; F715-E726 WeakPolarHBondContact O-CA 3.39Å; E726-L761 WeakPolarHBondContact O-CD1 3.27Å; E726-N762 HydrophobicContact CB-CB 3.91Å; E726-N762 HydrophobicContact CG-CB 4.39Å; E726-N762 PolarHBondContact O-N 2.82Å; E726-N762 PolarHBondContact OE2-ND2 3.07Å; E726-L765 HydrophobicContact CB-CD2 3.83Å; E726-Y788 PolarHBondContact OE1-OH 3.47Å; E726-W794 HydrophobicContact CB-CZ2 4.3Å; E726-W794 HydrophobicContact CG-CZ2 4.48Å; E726-W794 WeakPolarHBondContact OE1-CZ2 3.49Å
727	W	93.3	Very high	79.2	Confident	17 Å²	17	40.2 Å²	40.2	6%	0.064	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.9	175.6	-62.9	91.9	0	0	0	109.6	F675 C677 R714 F715 V759 L761	F675-W727 HydrophobicContact CE1-CD2 4.39Å; F675-W727 HydrophobicContact CE1-CE3 4.06Å; F675-W727 HydrophobicContact CE1-CH2 4.48Å; F675-W727 HydrophobicContact CE1-CZ3 4.09Å; F675-W727 HydrophobicContact CZ-CE3 4.19Å; F675-W727 HydrophobicContact CZ-CH2 4.28Å; F675-W727 AromaticContact CZ-CZ3 3.83Å; F675-W727 HydrophobicContact CZ-CZ3 3.83Å; C677-W727 HydrophobicContact CB-CZ2 3.86Å; R714-W727 CarbonylContact C-O 3.58Å; R714-W727 WeakPolarHBondContact CA-O 3.23Å; F715-W727 HydrophobicContact CD1-CB 3.92Å; F715-W727 HydrophobicContact CE1-CB 3.35Å; F715-W727 AromaticContact CE1-CG 3.98Å; F715-W727 HydrophobicContact CE1-CG 3.98Å; F715-W727 HydrophobicContact CE2-CB 4.39Å; F715-W727 AromaticContact CE2-CD1 3.79Å; F715-W727 HydrophobicContact CE2-CG 4.32Å; F715-W727 HydrophobicContact CZ-CB 3.65Å; F715-W727 AromaticContact CZ-CD1 3.64Å; F715-W727 AromaticContact CZ-CG 3.73Å; F715-W727 HydrophobicContact CZ-CG 3.73Å; F715-W727 PolarHBondContact N-O 2.93Å; F715-W727 PolarHBondContact O-N 3.08Å; W727-V759 HydrophobicContact CE3-CG1 3.58Å; W727-V759 HydrophobicContact CZ3-CG1 4.1Å; W727-L761 HydrophobicContact CD2-CD1 3.8Å; W727-L761 HydrophobicContact CE3-CD1 4.01Å; W727-L761 HydrophobicContact CG-CD1 4.34Å; W727-L761 HydrophobicContact CH2-CD1 4.28Å; W727-L761 HydrophobicContact CZ2-CD1 4.05Å; W727-L761 HydrophobicContact CZ3-CD1 4.26Å
728	K	91.6	Very high	76.3	Confident	65 Å²	65	47 Å²	47	28%	0.283	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119	172.8	-55.5	-170.4	177.9	-173.8	0	107.5	H713 R714 V759 G760	H713-K728 CarbonylContact O-C 3.49Å; H713-K728 WeakPolarHBondContact O-CA 3.19Å; R714-K728 HydrophobicContact CG-CB 4.37Å; R714-K728 HydrophobicContact CG-CG 4Å; K728-V759 WeakPolarHBondContact O-CA 3.36Å; K728-G760 PolarHBondContact N-O 2.89Å; K728-G760 PolarHBondContact O-N 2.79Å
729	I	89.4	Confident	73.5	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	179.6	-56	157.9	0	0	0	107.8	L653 L665 H713 F715 I731 I757	L653-I729 HydrophobicContact CD1-CD1 4.26Å; L665-I729 HydrophobicContact CD2-CD1 3.42Å; L665-I729 VanDerWaalsContact CD2-CD1 3.42Å; H713-I729 PolarHBondContact N-O 2.96Å; H713-I729 PolarHBondContact O-N 2.89Å; H713-I729 VanDerWaalsContact O-O 3.09Å; F715-I729 HydrophobicContact CD1-CD1 3.52Å; F715-I729 HydrophobicContact CD1-CG1 4.24Å; F715-I729 HydrophobicContact CE1-CD1 3.39Å; F715-I729 HydrophobicContact CE1-CG1 3.91Å; I729-I731 HydrophobicContact CG2-CG1 4.03Å; I729-I757 HydrophobicContact CG2-CG2 3.69Å
730	T	86.9	Confident	70.9	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.3	173.3	-51.8	0	0	0	0	108.4	L710 K712 D758	L710-T730 HydrophobicContact CD1-CG2 3.21Å; L710-T730 HydrophobicContact CD2-CG2 3.74Å; L710-T730 HydrophobicContact CG-CG2 3.32Å; K712-T730 HydrophobicContact CG-CG2 4.26Å; T730-D758 PolarHBondContact N-O 2.94Å; T730-D758 PolarHBondContact O-N 2.98Å
731	I	82.6	Confident	68.6	Low	2 Å²	2	65.9 Å²	65.9	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.9	-179.7	-57	167.5	0	0	0	107.2	T648 L653 S711 I729 N755	T648-I731 HydrophobicContact CG2-CD1 4.49Å; L653-I731 HydrophobicContact CD2-CD1 4.34Å; S711-I731 PolarHBondContact O-N 2.95Å; S711-I731 VanDerWaalsContact O-N 3.1Å; I729-I731 HydrophobicContact CG2-CG1 4.03Å; I731-N755 HydrophobicContact CG2-CB 4.21Å
732	K	77.2	Confident	66.4	Low	96 Å²	96	73.1 Å²	73.1	42%	0.417	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.6	172.3	-70.4	175.1	-177.6	176.6	0	108.7	L710 S734 I756	L710-K732 HydrophobicContact CD1-CD 4.07Å; L710-K732 HydrophobicContact CD1-CG 3.36Å; K732-S734 PolarHBondContact O-N 2.82Å; K732-I756 HydrophobicContact CB-CB 4.2Å; K732-I756 PolarHBondContact N-O 3.43Å; K732-I756 PolarHBondContact O-N 2.82Å
733	Q	65.5	Low	64.3	Low	99 Å²	99	78.6 Å²	78.6	46%	0.463	42%	0.422	S	S	.	.			trans	-72.1	128.2	168	-162.7	174	18.8	0	0	108.8	N735	Q733-N735 PolarHBondContact O-N 3.13Å; Q733-N735 VanDerWaalsContact O-N 3.1Å
734	S	58.5	Low	61.7	Low	43 Å²	43	83.1 Å²	83.1	30%	0.301	45%	0.448	S	S	.	.			trans	-70.4	104.1	166.6	-178.3	0	0	0	0	107.9	K732 N736 K754	K732-S734 PolarHBondContact O-N 2.82Å; S734-N736 PolarHBondContact O-N 3.46Å; S734-K754 WeakPolarHBondContact CB-O 3.34Å
735	N	53.6	Low	59	Low	120 Å²	120	91.7 Å²	91.7	64%	0.642	49%	0.488	S	S	*	.			trans	-68.1	100.2	160.7	-81.1	-6.4	0	0	0	106.7	Q733 V737	Q733-N735 PolarHBondContact O-N 3.13Å; Q733-N735 VanDerWaalsContact O-N 3.1Å; N735-V737 HydrophobicContact CB-CG2 4.41Å; N735-V737 PolarHBondContact O-N 2.91Å
736	N	42.1	Very low	56.3	Low	118 Å²	118	95.3 Å²	95.3	63%	0.631	52%	0.517	S	S	*	.			trans	-64.1	87.8	156	-104.7	4.2	0	0	0	106.4	S734 N738	S734-N736 PolarHBondContact O-N 3.46Å; N736-N738 VanDerWaalsContact C-N 3.29Å; N736-N738 PolarHBondContact O-N 3.3Å
737	V	39.9	Very low	53.1	Low	106 Å²	106	101.9 Å²	101.9	64%	0.642	56%	0.558	S	S	*	*			trans	-67.3	102.4	157	179.6	0	0	0	0	104	N735 N739	N735-V737 HydrophobicContact CB-CG2 4.41Å; N735-V737 PolarHBondContact O-N 2.91Å; V737-N739 PolarHBondContact O-N 3.17Å
738	N	34.6	Very low	50.1	Low	144 Å²	144	106.1 Å²	106.1	77%	0.77	59%	0.59	S	S	*	*			trans	-58.4	90.5	161.4	-69.8	-16.1	0	0	0	106.1	N736 S740	N736-N738 VanDerWaalsContact C-N 3.29Å; N736-N738 PolarHBondContact O-N 3.3Å; N738-S740 PolarHBondContact O-N 2.76Å; N738-S740 VanDerWaalsContact O-N 3.09Å
739	N	32.9	Very low	47.1	Very low	136 Å²	136	108.3 Å²	108.3	73%	0.727	61%	0.611	S	S	*	*			trans	-62.1	112.7	157.3	-85.2	-9.7	0	0	0	105.1	V737 D741	V737-N739 PolarHBondContact O-N 3.17Å; N739-D741 PolarHBondContact O-N 2.95Å
740	S	32.4	Very low	44.3	Very low	107 Å²	107	114.3 Å²	114.3	75%	0.748	65%	0.65	S	S	*	*			trans	-41.6	105.9	161.5	49.1	0	0	0	0	109.8	N738	N738-S740 PolarHBondContact O-N 2.76Å; N738-S740 VanDerWaalsContact O-N 3.09Å
741	D	34.3	Very low	41.8	Very low	159 Å²	159	118.6 Å²	118.6	85%	0.85	68%	0.676	S	S	*	*			trans	-138.2	120.6	146.8	-86	-34.6	0	0	0	107.2	N739	N739-D741 PolarHBondContact O-N 2.95Å
742	E	29.9	Very low	39.7	Very low	193 Å²	193	124.1 Å²	124.1	90%	0.902	71%	0.71	S	S	*	*			trans	-58.2	131.3	-174.1	-58.5	178.1	145.3	0	0	111.6
743	S	36.7	Very low	38.3	Very low	119 Å²	119	124 Å²	124	83%	0.832	72%	0.717	S	S	*	*			trans	176.1	134.5	132	47.5	0	0	0	0	110.7
744	D	32.4	Very low	37.8	Very low	149 Å²	149	127.7 Å²	127.7	80%	0.797	73%	0.732	S	S	*	*			trans	-57.2	130.9	-175.9	-63.3	-58.2	0	0	0	113.4
745	H	37.1	Very low	38.1	Very low	181 Å²	181	127.8 Å²	127.8	84%	0.838	73%	0.729	S	S	*	*			trans	174.2	123.3	131.4	-85.6	-50.3	0	0	0	110.9
746	P	36	Very low	38.9	Very low	123 Å²	123	126.9 Å²	126.9	80%	0.799	72%	0.723	S	S	*	*			trans	-101.5	91.6	-171.6	36.3	-29.8	0	0	0	112.5
747	T	29	Very low	40.7	Very low	138 Å²	138	123.6 Å²	123.6	85%	0.847	71%	0.705	S	S	*	*			trans	-155.9	82.8	161.6	51.6	0	0	0	0	111.9
748	S	28.6	Very low	42.8	Very low	107 Å²	107	123 Å²	123	75%	0.748	70%	0.698	S	S	*	*			trans	-156.9	142.6	151.8	57.5	0	0	0	0	111.3
749	P	29.2	Very low	45.3	Very low	110 Å²	110	117.8 Å²	117.8	71%	0.714	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-70	160	-175.9	28.8	-33.3	0	0	0	112	V751	P749-V751 PolarHBondContact O-N 2.94Å; P749-V751 VanDerWaalsContact O-N 3.12Å
750	P	32	Very low	48	Very low	128 Å²	128	112.9 Å²	112.9	83%	0.831	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-57	118.8	-169.6	21.9	-33.2	0	0	0	111.7	T752	P750-T752 PolarHBondContact O-N 3.19Å; P750-T752 VanDerWaalsContact O-N 3.16Å
751	V	33.4	Very low	50.8	Low	113 Å²	113	110.4 Å²	110.4	69%	0.685	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-54.1	116.9	173.1	178.5	0	0	0	0	108.2	P749 T753	P749-V751 PolarHBondContact O-N 2.94Å; P749-V751 VanDerWaalsContact O-N 3.12Å; V751-T753 PolarHBondContact O-N 2.84Å; V751-T753 VanDerWaalsContact O-N 3.14Å
752	T	38.9	Very low	53.5	Low	117 Å²	117	103.1 Å²	103.1	72%	0.718	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-54.5	119.4	172.4	37.7	0	0	0	0	108.4	P750 K754	P750-T752 PolarHBondContact O-N 3.19Å; P750-T752 VanDerWaalsContact O-N 3.16Å; T752-K754 PolarHBondContact O-N 2.92Å
753	T	47.5	Very low	56.4	Low	94 Å²	94	102.6 Å²	102.6	58%	0.577	59%	0.587	S	S	*	*			trans	-60.4	101.2	175.4	45.7	0	0	0	0	108.2	V751 N755	V751-T753 PolarHBondContact O-N 2.84Å; V751-T753 VanDerWaalsContact O-N 3.14Å; T753-N755 PolarHBondContact O-N 3.35Å
754	K	55	Low	59.2	Low	176 Å²	176	98.9 Å²	98.9	77%	0.765	56%	0.555	S	S	*	*			trans	-67.2	105.2	172.9	-79.3	-174.4	176.5	179.6	0	107.9	S734 T752 I756	S734-K754 WeakPolarHBondContact CB-O 3.34Å; T752-K754 PolarHBondContact O-N 2.92Å; K754-I756 PolarHBondContact O-N 2.77Å
755	N	65.7	Low	62.1	Low	46 Å²	46	91.8 Å²	91.8	25%	0.246	52%	0.517	C	S	.	.			trans	-65.6	128.7	168.7	-70.5	-18.8	0	0	0	108.4	I731 T753 I757	I731-N755 HydrophobicContact CG2-CB 4.21Å; T753-N755 PolarHBondContact O-N 3.35Å; N755-I757 PolarHBondContact O-N 2.86Å
756	I	68.5	Low	64.7	Low	101 Å²	101	84.7 Å²	84.7	52%	0.518	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.4	172.9	-61.4	171.7	0	0	0	106.4	K732 K754	K732-I756 HydrophobicContact CB-CB 4.2Å; K732-I756 PolarHBondContact N-O 3.43Å; K732-I756 PolarHBondContact O-N 2.82Å; K754-I756 PolarHBondContact O-N 2.77Å
757	I	80.6	Confident	67.3	Low	48 Å²	48	84.9 Å²	84.9	25%	0.246	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.3	-178.5	-55.1	168.2	0	0	0	107.5	L674 I729 N755 V759	L674-I757 HydrophobicContact CB-CD1 3.79Å; L674-I757 HydrophobicContact CD2-CD1 3.83Å; L674-I757 HydrophobicContact CG-CD1 4.38Å; L674-I757 VanDerWaalsContact O-CD1 3.26Å; L674-I757 WeakPolarHBondContact O-CD1 3.49Å; I729-I757 HydrophobicContact CG2-CG2 3.69Å; N755-I757 PolarHBondContact O-N 2.86Å; I757-V759 HydrophobicContact CG2-CG2 3.71Å
758	D	83.4	Confident	70.4	Confident	93 Å²	93	78.4 Å²	78.4	50%	0.497	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.2	171	-174.2	20.7	0	0	0	109.1	T730	T730-D758 PolarHBondContact N-O 2.94Å; T730-D758 PolarHBondContact O-N 2.98Å
759	V	88.4	Confident	73.4	Confident	35 Å²	35	73.9 Å²	73.9	21%	0.212	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.7	-174.6	-174.2	0	0	0	0	109.9	F675 W727 K728 I757	F675-V759 HydrophobicContact CB-CG2 4.5Å; F675-V759 HydrophobicContact CD1-CG1 4.21Å; F675-V759 HydrophobicContact CD1-CG2 4.32Å; F675-V759 HydrophobicContact CD2-CB 4.29Å; F675-V759 HydrophobicContact CD2-CG1 4.48Å; F675-V759 HydrophobicContact CD2-CG2 3.7Å; F675-V759 HydrophobicContact CE1-CG1 3.73Å; F675-V759 HydrophobicContact CE2-CB 3.99Å; F675-V759 HydrophobicContact CE2-CG1 4.04Å; F675-V759 HydrophobicContact CE2-CG2 3.93Å; F675-V759 HydrophobicContact CG-CG2 3.91Å; F675-V759 HydrophobicContact CZ-CB 4.12Å; F675-V759 HydrophobicContact CZ-CG1 3.64Å; F675-V759 HydrophobicContact CZ-CG2 4.34Å; W727-V759 HydrophobicContact CE3-CG1 3.58Å; W727-V759 HydrophobicContact CZ3-CG1 4.1Å; K728-V759 WeakPolarHBondContact O-CA 3.36Å; I757-V759 HydrophobicContact CG2-CG2 3.71Å
760	G	88.7	Confident	76.2	Confident	34 Å²	34	77.7 Å²	77.7	35%	0.351	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.6	178.6	0	0	0	0	0	112.3	K728	K728-G760 PolarHBondContact N-O 2.89Å; K728-G760 PolarHBondContact O-N 2.79Å
761	L	91.2	Very high	78.9	Confident	55 Å²	55	74.1 Å²	74.1	29%	0.288	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	144.6	175.2	-167	68.3	0	0	0	110.9	R725 E726 W727 K763 V766	R725-L761 HydrophobicContact CB-CD1 4.18Å; E726-L761 WeakPolarHBondContact O-CD1 3.27Å; W727-L761 HydrophobicContact CD2-CD1 3.8Å; W727-L761 HydrophobicContact CE3-CD1 4.01Å; W727-L761 HydrophobicContact CG-CD1 4.34Å; W727-L761 HydrophobicContact CH2-CD1 4.28Å; W727-L761 HydrophobicContact CZ2-CD1 4.05Å; W727-L761 HydrophobicContact CZ3-CD1 4.26Å; L761-K763 PolarHBondContact O-N 2.82Å; L761-V766 HydrophobicContact CD2-CG2 3.31Å; L761-V766 HydrophobicContact CG-CG2 3.69Å
762	N	91.4	Very high	81.6	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.032	35%	0.345	C	S	.	.			trans	-69.2	98.8	172.6	-172.5	-26.6	0	0	0	111	E726 W764 L765 V766	E726-N762 HydrophobicContact CB-CB 3.91Å; E726-N762 HydrophobicContact CG-CB 4.39Å; E726-N762 PolarHBondContact O-N 2.82Å; E726-N762 PolarHBondContact OE2-ND2 3.07Å; N762-W764 VanDerWaalsContact C-N 3.3Å; N762-W764 PolarHBondContact O-N 2.91Å; N762-W764 WeakPolarHBondContact OD1-CB 2.93Å; N762-W764 PolarHBondContact OD1-N 3.36Å; N762-W764 VanDerWaalsContact OD1-N 3.1Å; N762-L765 HydrophobicContact CB-CB 4.08Å; N762-L765 PolarHBondContact O-N 3.34Å; N762-L765 PolarHBondContact OD1-N 3.34Å; N762-V766 WeakPolarHBondContact O-CG2 3.45Å; N762-V766 PolarHBondContact O-N 3.35Å; N762-V766 VanDerWaalsContact O-N 3.13Å
763	K	91.8	Very high	83.8	Confident	182 Å²	182	64 Å²	64	79%	0.791	32%	0.319	S	S	*	.	H	α-helix	trans	-59.1	-35.6	-178.1	-62.8	-177.1	-178.8	179.5	0	113.6	L761 K767	L761-K763 PolarHBondContact O-N 2.82Å; K763-K767 PolarHBondContact O-N 2.98Å; K763-K767 VanDerWaalsContact O-N 3.1Å
764	W	94.5	Very high	85.2	Confident	40 Å²	40	63.6 Å²	63.6	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-47	178	176.4	92.6	0	0	0	110.2	N762 V766 K767 F768 W794 L805 V806 K809 Y811 C831	N762-W764 VanDerWaalsContact C-N 3.3Å; N762-W764 PolarHBondContact O-N 2.91Å; N762-W764 WeakPolarHBondContact OD1-CB 2.93Å; N762-W764 PolarHBondContact OD1-N 3.36Å; N762-W764 VanDerWaalsContact OD1-N 3.1Å; W764-V766 VanDerWaalsContact C-N 3.34Å; W764-V766 PolarHBondContact O-N 3.07Å; W764-K767 PolarHBondContact O-N 3Å; W764-F768 HydrophobicContact CH2-CB 4.45Å; W764-F768 HydrophobicContact CH2-CD2 4.24Å; W764-F768 HydrophobicContact CH2-CG 4.32Å; W764-F768 HydrophobicContact CZ2-CD2 4.45Å; W764-F768 HydrophobicContact CZ3-CB 4.38Å; W764-F768 WeakPolarHBondContact O-CB 3.38Å; W764-F768 PolarHBondContact O-N 2.84Å; W764-W794 HydrophobicContact CZ3-CZ3 4.27Å; W764-L805 HydrophobicContact CH2-CD1 4.11Å; W764-V806 VanDerWaalsContact CH2-O 3.32Å; W764-V806 WeakPolarHBondContact CH2-O 3.45Å; W764-K809 WeakPolarHBondContact CZ2-O 3.39Å; W764-Y811 AromaticContact CE2-CE1 3.99Å; W764-Y811 AromaticContact CZ2-CD1 3.97Å; W764-Y811 HydrophobicContact CZ2-CD1 3.97Å; W764-Y811 HydrophobicContact CZ2-CE1 4.14Å; W764-Y811 AromaticContact NE1-CE1 3.75Å; W764-C831 HydrophobicContact CH2-CB 4.06Å; W764-C831 HydrophobicContact CZ2-CB 4.03Å
765	L	93.2	Very high	86.6	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-38.5	-178.1	-170.1	62.9	0	0	0	111.8	L724 E726 N762 F768 W769 W794 L805	L724-L765 HydrophobicContact CB-CD2 4.44Å; L724-L765 HydrophobicContact CD2-CD1 4.46Å; L724-L765 HydrophobicContact CD2-CD2 4.11Å; L724-L765 HydrophobicContact CG-CD2 4.04Å; L724-L765 WeakPolarHBondContact O-CD2 3.28Å; L724-L765 WeakPolarHBondContact O-CG 3.5Å; E726-L765 HydrophobicContact CB-CD2 3.83Å; N762-L765 HydrophobicContact CB-CB 4.08Å; N762-L765 PolarHBondContact O-N 3.34Å; N762-L765 PolarHBondContact OD1-N 3.34Å; L765-F768 HydrophobicContact CD1-CD1 4.3Å; L765-F768 WeakPolarHBondContact O-CB 3.43Å; L765-F768 PolarHBondContact O-N 3.33Å; L765-W769 PolarHBondContact O-N 3.42Å; L765-W794 HydrophobicContact CD1-CZ3 4.47Å; L765-W794 HydrophobicContact CD2-CH2 4.49Å; L765-W794 HydrophobicContact CD2-CZ2 4.44Å; L765-L805 HydrophobicContact CD1-CD2 3.76Å
766	V	91.2	Very high	87.6	Confident	32 Å²	32	54.5 Å²	54.5	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-44.8	173.9	175.3	0	0	0	0	111.6	L761 N762 W764 R770	L761-V766 HydrophobicContact CD2-CG2 3.31Å; L761-V766 HydrophobicContact CG-CG2 3.69Å; N762-V766 WeakPolarHBondContact O-CG2 3.45Å; N762-V766 PolarHBondContact O-N 3.35Å; N762-V766 VanDerWaalsContact O-N 3.13Å; W764-V766 VanDerWaalsContact C-N 3.34Å; W764-V766 PolarHBondContact O-N 3.07Å; V766-R770 WeakPolarHBondContact O-CB 3.36Å; V766-R770 PolarHBondContact O-N 2.99Å
767	K	92	Very high	88	Confident	127 Å²	127	51.3 Å²	51.3	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-66.1	-39.7	177.4	-167.8	-172.5	175.2	-176.8	0	111.4	K763 W764 R770 T771 Y811	K763-K767 PolarHBondContact O-N 2.98Å; K763-K767 VanDerWaalsContact O-N 3.1Å; W764-K767 PolarHBondContact O-N 3Å; K767-R770 PolarHBondContact O-N 2.81Å; K767-T771 PolarHBondContact O-N 3.1Å; K767-T771 VanDerWaalsContact O-N 3.14Å; K767-T771 PolarHBondContact O-OG1 3.46Å; K767-Y811 WeakPolarHBondContact CD-OH 3.25Å; K767-Y811 WeakPolarHBondContact CG-OH 3.42Å
768	F	94	Very high	87.8	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-57	-54	175.5	171.7	-96.4	0	0	0	111	W764 L765 R770 T771 M772 I776 L805 Y811 L832	W764-F768 HydrophobicContact CH2-CB 4.45Å; W764-F768 HydrophobicContact CH2-CD2 4.24Å; W764-F768 HydrophobicContact CH2-CG 4.32Å; W764-F768 HydrophobicContact CZ2-CD2 4.45Å; W764-F768 HydrophobicContact CZ3-CB 4.38Å; W764-F768 WeakPolarHBondContact O-CB 3.38Å; W764-F768 PolarHBondContact O-N 2.84Å; L765-F768 HydrophobicContact CD1-CD1 4.3Å; L765-F768 WeakPolarHBondContact O-CB 3.43Å; L765-F768 PolarHBondContact O-N 3.33Å; F768-R770 VanDerWaalsContact C-N 3.33Å; F768-R770 PolarHBondContact O-N 3.02Å; F768-T771 PolarHBondContact O-N 3.01Å; F768-M772 HydrophobicContact CD2-CB 4.39Å; F768-M772 HydrophobicContact CD2-CG 3.95Å; F768-M772 HydrophobicContact CE1-CB 4.48Å; F768-M772 HydrophobicContact CE2-CB 4.04Å; F768-M772 HydrophobicContact CE2-CG 3.69Å; F768-M772 HydrophobicContact CZ-CB 4.09Å; F768-M772 HydrophobicContact CZ-CG 4.25Å; F768-M772 PolarHBondContact O-N 3.21Å; F768-I776 HydrophobicContact CE1-CD1 3.62Å; F768-I776 HydrophobicContact CZ-CD1 3.68Å; F768-L805 HydrophobicContact CD1-CD2 4.46Å; F768-L805 HydrophobicContact CE1-CD1 3.95Å; F768-L805 HydrophobicContact CE1-CD2 4.09Å; F768-L805 HydrophobicContact CE2-CD1 4.06Å; F768-L805 HydrophobicContact CZ-CD1 3.64Å; F768-Y811 HydrophobicContact CB-CE1 4.12Å; F768-Y811 AromaticContact CD2-CD1 3.7Å; F768-Y811 HydrophobicContact CD2-CD1 3.7Å; F768-Y811 HydrophobicContact CD2-CD2 4.06Å; F768-Y811 HydrophobicContact CD2-CE1 4.08Å; F768-Y811 HydrophobicContact CD2-CE2 4.42Å; F768-Y811 AromaticContact CD2-CG 3.68Å; F768-Y811 HydrophobicContact CD2-CG 3.68Å; F768-Y811 HydrophobicContact CE2-CD1 4.49Å; F768-Y811 HydrophobicContact CE2-CG 4.19Å; F768-Y811 PolarHBondContact N-OH 2.87Å; F768-L832 HydrophobicContact CZ-CD1 4.2Å; F768-L832 HydrophobicContact CZ-CD2 4.2Å; F768-L832 HydrophobicContact CZ-CG 4.29Å
769	W	90.7	Very high	87.7	Confident	13 Å²	13	53.9 Å²	53.9	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-30.9	-179.7	-76.1	108.2	0	0	0	114.2	G722 Q723 L724 L765 T771 G773 I776 F783 L796	G722-W769 WeakPolarHBondContact O-CH2 3.24Å; Q723-W769 HydrophobicContact CB-CD2 4.36Å; Q723-W769 HydrophobicContact CB-CE3 4.47Å; Q723-W769 HydrophobicContact CB-CG 4.5Å; Q723-W769 HydrophobicContact CG-CB 4.48Å; Q723-W769 HydrophobicContact CG-CD2 4.36Å; Q723-W769 HydrophobicContact CG-CE3 4.12Å; L724-W769 HydrophobicContact CB-CZ2 3.8Å; L724-W769 VanDerWaalsContact N-CE2 3.33Å; L724-W769 PolarHBondContact O-NE1 2.97Å; L724-W769 VanDerWaalsContact O-NE1 3.12Å; L765-W769 PolarHBondContact O-N 3.42Å; W769-T771 PolarHBondContact O-N 3.21Å; W769-G773 VanDerWaalsContact O-CA 3.27Å; W769-G773 WeakPolarHBondContact O-CA 3.17Å; W769-G773 PolarHBondContact O-N 3.22Å; W769-I776 HydrophobicContact CE3-CD1 4Å; W769-I776 HydrophobicContact CH2-CD1 3.85Å; W769-I776 HydrophobicContact CH2-CG2 3.92Å; W769-I776 HydrophobicContact CZ3-CB 4.1Å; W769-I776 HydrophobicContact CZ3-CD1 3.54Å; W769-I776 HydrophobicContact CZ3-CG1 4.42Å; W769-I776 HydrophobicContact CZ3-CG2 3.74Å; W769-F783 HydrophobicContact CH2-CD2 4.24Å; W769-F783 AromaticContact CH2-CE2 3.95Å; W769-F783 HydrophobicContact CH2-CE2 3.95Å; W769-L796 HydrophobicContact CZ2-CD1 4.49Å
770	R	88.1	Confident	87.6	Confident	189 Å²	189	52.4 Å²	52.4	71%	0.713	25%	0.252	S	S	*	.	H	α-helix	trans	-63.7	-30.6	172	-169.1	-177.1	-63.2	138.3	-0.9	112.2	V766 K767 F768	V766-R770 WeakPolarHBondContact O-CB 3.36Å; V766-R770 PolarHBondContact O-N 2.99Å; K767-R770 PolarHBondContact O-N 2.81Å; F768-R770 VanDerWaalsContact C-N 3.33Å; F768-R770 PolarHBondContact O-N 3.02Å
771	T	89.8	Confident	87	Confident	54 Å²	54	52 Å²	52	33%	0.331	25%	0.247	S	C	.	.	H	α-helix	trans	-93.2	-49.7	-176.8	-45.1	0	0	0	0	111.8	K767 F768 W769 Y811 L813	K767-T771 PolarHBondContact O-N 3.1Å; K767-T771 VanDerWaalsContact O-N 3.14Å; K767-T771 PolarHBondContact O-OG1 3.46Å; F768-T771 PolarHBondContact O-N 3.01Å; W769-T771 PolarHBondContact O-N 3.21Å; T771-Y811 HydrophobicContact CG2-CE2 4.11Å; T771-L813 HydrophobicContact CG2-CD2 4.45Å; T771-L813 HydrophobicContact CG2-CG 4.37Å; T771-L813 WeakPolarHBondContact O-CD2 2.96Å
772	M	89.2	Confident	86.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-96.8	-8.5	-171.1	-63.3	-64.3	-62.7	0	0	113.7	F768 E774 E775 I776 Y811 E812 L813 M815 I816	F768-M772 HydrophobicContact CD2-CB 4.39Å; F768-M772 HydrophobicContact CD2-CG 3.95Å; F768-M772 HydrophobicContact CE1-CB 4.48Å; F768-M772 HydrophobicContact CE2-CB 4.04Å; F768-M772 HydrophobicContact CE2-CG 3.69Å; F768-M772 HydrophobicContact CZ-CB 4.09Å; F768-M772 HydrophobicContact CZ-CG 4.25Å; F768-M772 PolarHBondContact O-N 3.21Å; M772-E774 VanDerWaalsContact C-N 3.31Å; M772-E774 PolarHBondContact O-N 3.26Å; M772-E775 VanDerWaalsContact CE-OE2 3.25Å; M772-E775 WeakPolarHBondContact CE-OE2 3.33Å; M772-E775 PolarHBondContact O-N 2.85Å; M772-I776 HydrophobicContact CB-CD1 3.87Å; M772-I776 HydrophobicContact CB-CG1 4.33Å; M772-I776 VanDerWaalsContact O-CG1 3.28Å; M772-I776 WeakPolarHBondContact O-CG1 3.4Å; M772-I776 PolarHBondContact O-N 3.04Å; M772-Y811 HydrophobicContact CG-CD2 3.79Å; M772-Y811 HydrophobicContact CG-CE2 4.5Å; M772-Y811 HydrophobicContact CG-CG 4.38Å; M772-Y811 HydrophobicContact SD-CD2 4.27Å; M772-E812 WeakPolarHBondContact CE-O 3.28Å; M772-L813 HydrophobicContact SD-CD2 4.24Å; M772-M815 HydrophobicContact CE-CE 3.87Å; M772-I816 HydrophobicContact CE-CD1 4.09Å; M772-I816 HydrophobicContact CE-CG1 4.17Å
773	G	85.5	Confident	86.3	Confident	16 Å²	16	50.1 Å²	50.1	17%	0.165	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-38.3	-168.5	0	0	0	0	0	114.3	W769 S777	W769-G773 VanDerWaalsContact O-CA 3.27Å; W769-G773 WeakPolarHBondContact O-CA 3.17Å; W769-G773 PolarHBondContact O-N 3.22Å; G773-S777 WeakPolarHBondContact O-CB 3.34Å; G773-S777 PolarHBondContact O-N 3.45Å
774	E	76.9	Confident	86	Confident	87 Å²	87	41.6 Å²	41.6	41%	0.407	20%	0.201	S	C	.	.	H	α-helix	trans	-68.6	-46.3	176.8	-72.8	160	-153.2	0	0	112	K339 M772 I776 S777 R778	K339-E774 WeakPolarHBondContact CE-OE1 3.43Å; K339-E774 IonicContact NZ-OE1 3.44Å; K339-E774 PolarHBondContact NZ-OE1 2.82Å; M772-E774 VanDerWaalsContact C-N 3.31Å; M772-E774 PolarHBondContact O-N 3.26Å; E774-I776 VanDerWaalsContact C-N 3.3Å; E774-I776 PolarHBondContact O-N 2.92Å; E774-S777 PolarHBondContact O-N 2.89Å; E774-R778 WeakPolarHBondContact O-CB 3.5Å; E774-R778 PolarHBondContact O-N 2.97Å
775	E	84.1	Confident	85.8	Confident	26 Å²	26	40.2 Å²	40.2	12%	0.121	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-40.4	178.2	-167.6	-176.3	165.8	0	0	111.5	M772 S779 G814 M815 I816 K817	M772-E775 VanDerWaalsContact CE-OE2 3.25Å; M772-E775 WeakPolarHBondContact CE-OE2 3.33Å; M772-E775 PolarHBondContact O-N 2.85Å; E775-S779 WeakPolarHBondContact O-CB 3.38Å; E775-S779 PolarHBondContact O-N 2.73Å; E775-S779 PolarHBondContact O-OG 3.32Å; E775-G814 VanDerWaalsContact CD-N 3.3Å; E775-G814 WeakPolarHBondContact OE1-CA 3.49Å; E775-G814 PolarHBondContact OE1-N 3.33Å; E775-G814 PolarHBondContact OE2-N 3.3Å; E775-M815 PolarHBondContact OE1-N 2.8Å; E775-I816 HydrophobicContact CB-CD1 4.36Å; E775-I816 HydrophobicContact CG-CB 4.2Å; E775-I816 HydrophobicContact CG-CD1 4.01Å; E775-I816 HydrophobicContact CG-CG1 4.41Å; E775-I816 WeakPolarHBondContact OE1-CA 3.37Å; E775-I816 VanDerWaalsContact OE1-CB 3.26Å; E775-I816 WeakPolarHBondContact OE1-CB 3.17Å; E775-I816 PolarHBondContact OE1-N 2.86Å; E775-K817 PolarHBondContact OE1-N 2.78Å
776	I	86.3	Confident	85.8	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-51.8	175.9	-69.8	168.5	0	0	0	110.5	F768 W769 M772 E774 R778 S779 L780 G781 F783 I816	F768-I776 HydrophobicContact CE1-CD1 3.62Å; F768-I776 HydrophobicContact CZ-CD1 3.68Å; W769-I776 HydrophobicContact CE3-CD1 4Å; W769-I776 HydrophobicContact CH2-CD1 3.85Å; W769-I776 HydrophobicContact CH2-CG2 3.92Å; W769-I776 HydrophobicContact CZ3-CB 4.1Å; W769-I776 HydrophobicContact CZ3-CD1 3.54Å; W769-I776 HydrophobicContact CZ3-CG1 4.42Å; W769-I776 HydrophobicContact CZ3-CG2 3.74Å; M772-I776 HydrophobicContact CB-CD1 3.87Å; M772-I776 HydrophobicContact CB-CG1 4.33Å; M772-I776 VanDerWaalsContact O-CG1 3.28Å; M772-I776 WeakPolarHBondContact O-CG1 3.4Å; M772-I776 PolarHBondContact O-N 3.04Å; E774-I776 VanDerWaalsContact C-N 3.3Å; E774-I776 PolarHBondContact O-N 2.92Å; I776-R778 VanDerWaalsContact C-N 3.26Å; I776-R778 PolarHBondContact O-N 3.36Å; I776-S779 PolarHBondContact O-N 2.61Å; I776-L780 HydrophobicContact CG1-CD1 4.48Å; I776-L780 HydrophobicContact CG2-CB 4.43Å; I776-L780 HydrophobicContact CG2-CD1 4.35Å; I776-L780 WeakPolarHBondContact O-CA 3.41Å; I776-L780 WeakPolarHBondContact O-CB 3.44Å; I776-L780 PolarHBondContact O-N 2.89Å; I776-G781 PolarHBondContact O-N 3.04Å; I776-F783 HydrophobicContact CG2-CE2 3.52Å; I776-F783 HydrophobicContact CG2-CZ 3.99Å; I776-I816 HydrophobicContact CB-CD1 4.33Å; I776-I816 HydrophobicContact CG1-CD1 3.49Å; I776-I816 VanDerWaalsContact CG1-CD1 3.49Å
777	S	77.8	Confident	86	Confident	33 Å²	33	40.4 Å²	40.4	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-41.3	-179.4	-172.4	0	0	0	0	111.6	G773 E774 G781	G773-S777 WeakPolarHBondContact O-CB 3.34Å; G773-S777 PolarHBondContact O-N 3.45Å; E774-S777 PolarHBondContact O-N 2.89Å; S777-G781 WeakPolarHBondContact O-CA 3.48Å; S777-G781 PolarHBondContact O-N 3.33Å
778	R	75.1	Confident	86	Confident	158 Å²	158	34.7 Å²	34.7	60%	0.596	17%	0.173	S	C	*	.	H	α-helix	trans	-72.5	-40.6	-179.6	-169.4	172.8	-176.9	153.5	1	113.4	E774 I776	E774-R778 WeakPolarHBondContact O-CB 3.5Å; E774-R778 PolarHBondContact O-N 2.97Å; I776-R778 VanDerWaalsContact C-N 3.26Å; I776-R778 PolarHBondContact O-N 3.36Å
779	S	83	Confident	85.8	Confident	38 Å²	38	35.2 Å²	35.2	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-97.3	-38.8	-170.1	-55.1	0	0	0	0	113.7	E775 I776	E775-S779 WeakPolarHBondContact O-CB 3.38Å; E775-S779 PolarHBondContact O-N 2.73Å; E775-S779 PolarHBondContact O-OG 3.32Å; I776-S779 PolarHBondContact O-N 2.61Å
780	L	84.5	Confident	85.6	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-103.6	-16.3	-174.1	-59.6	174.7	0	0	0	113	I776 F783 S798 F801 V803 I816 I834	I776-L780 HydrophobicContact CG1-CD1 4.48Å; I776-L780 HydrophobicContact CG2-CB 4.43Å; I776-L780 HydrophobicContact CG2-CD1 4.35Å; I776-L780 WeakPolarHBondContact O-CA 3.41Å; I776-L780 WeakPolarHBondContact O-CB 3.44Å; I776-L780 PolarHBondContact O-N 2.89Å; L780-F783 HydrophobicContact CB-CE1 4.49Å; L780-F783 HydrophobicContact CB-CZ 4.11Å; L780-F783 HydrophobicContact CD1-CZ 4.19Å; L780-S798 WeakPolarHBondContact O-CB 3.31Å; L780-S798 PolarHBondContact O-OG 3.29Å; L780-F801 HydrophobicContact CB-CD2 4.41Å; L780-F801 HydrophobicContact CD2-CB 4.4Å; L780-F801 HydrophobicContact CD2-CD1 4.49Å; L780-F801 HydrophobicContact CD2-CD2 3.89Å; L780-F801 HydrophobicContact CD2-CE2 4.24Å; L780-F801 HydrophobicContact CD2-CG 4.02Å; L780-V803 HydrophobicContact CD1-CG2 4.11Å; L780-V803 HydrophobicContact CD2-CG2 4.48Å; L780-I816 HydrophobicContact CD1-CD1 3.92Å; L780-I816 HydrophobicContact CD1-CG2 4.26Å; L780-I816 HydrophobicContact CD2-CG2 4.04Å; L780-I816 HydrophobicContact CG-CD1 4.46Å; L780-I816 HydrophobicContact CG-CG2 3.99Å; L780-I834 HydrophobicContact CD1-CD1 4.29Å; L780-I834 HydrophobicContact CD2-CD1 3.86Å; L780-I834 HydrophobicContact CD2-CG1 4.23Å; L780-I834 HydrophobicContact CD2-CG2 4.13Å
781	G	77.6	Confident	85.5	Confident	25 Å²	25	30.4 Å²	30.4	26%	0.258	16%	0.164	S	C	.	.			trans	76.3	-163.7	-177.5	0	0	0	0	0	112.8	I776 S777	I776-G781 PolarHBondContact O-N 3.04Å; S777-G781 WeakPolarHBondContact O-CA 3.48Å; S777-G781 PolarHBondContact O-N 3.33Å
782	V	80	Confident	85.4	Confident	20 Å²	20	31 Å²	31	12%	0.121	17%	0.165	C	C	.	.			trans	-88.1	131.9	-178.8	178.6	0	0	0	0	110.4	L341 S798	L341-V782 HydrophobicContact CD1-CG2 4Å; L341-V782 HydrophobicContact CD2-CG2 3.63Å; L341-V782 HydrophobicContact CG-CG2 3.88Å; V782-S798 WeakPolarHBondContact O-CB 3.23Å
783	F	87.4	Confident	85.5	Confident	2 Å²	2	34 Å²	34	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	145.3	174.9	-59.6	-64.7	0	0	0	111	S368 L718 W769 I776 L780 L796 A797 V803	S368-F783 WeakPolarHBondContact CB-O 3.39Å; L718-F783 HydrophobicContact CD1-CB 4.04Å; L718-F783 HydrophobicContact CD2-CB 3.89Å; W769-F783 HydrophobicContact CH2-CD2 4.24Å; W769-F783 AromaticContact CH2-CE2 3.95Å; W769-F783 HydrophobicContact CH2-CE2 3.95Å; I776-F783 HydrophobicContact CG2-CE2 3.52Å; I776-F783 HydrophobicContact CG2-CZ 3.99Å; L780-F783 HydrophobicContact CB-CE1 4.49Å; L780-F783 HydrophobicContact CB-CZ 4.11Å; L780-F783 HydrophobicContact CD1-CZ 4.19Å; F783-L796 HydrophobicContact CD1-CB 3.82Å; F783-L796 HydrophobicContact CD2-CB 4.5Å; F783-L796 HydrophobicContact CD2-CD1 4.17Å; F783-L796 HydrophobicContact CE1-CB 4Å; F783-L796 HydrophobicContact CE2-CD1 4.06Å; F783-L796 HydrophobicContact CG-CB 4.1Å; F783-L796 HydrophobicContact CZ-CB 4.41Å; F783-L796 HydrophobicContact CZ-CD1 4.38Å; F783-A797 CarbonylContact C-O 3.54Å; F783-A797 VanDerWaalsContact CA-O 3.28Å; F783-A797 WeakPolarHBondContact CA-O 3.43Å; F783-V803 HydrophobicContact CE1-CB 4.14Å; F783-V803 HydrophobicContact CE1-CG2 3.76Å; F783-V803 HydrophobicContact CZ-CB 4.34Å; F783-V803 HydrophobicContact CZ-CG2 4.07Å
784	H	85.7	Confident	85.9	Confident	3 Å²	3	33.2 Å²	33.2	1%	0.014	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-19.2	178.5	61.1	71.2	0	0	0	113.5	P366 A367 A797 I841 I842	P366-H784 HydrophobicContact CB-CB 4.21Å; A367-H784 HydrophobicContact CB-CB 4.27Å; H784-A797 PolarHBondContact CD2-O 3.25Å; H784-A797 PolarHBondContact N-O 3.23Å; H784-A797 PolarHBondContact NE2-O 3.42Å; H784-I841 PolarHBondContact NE2-O 2.7Å; H784-I842 PolarHBondContact CE1-O 2.74Å; H784-I842 PolarHBondContact ND1-O 3.25Å; H784-I842 VanDerWaalsContact ND1-O 3.08Å
785	S	89.9	Confident	86.8	Confident	11 Å²	11	29.3 Å²	29.3	8%	0.077	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.1	179	-61.6	0	0	0	0	110.6	L796 A797 T844	S785-L796 WeakPolarHBondContact O-CA 3.49Å; S785-A797 PolarHBondContact O-N 2.69Å; S785-A797 VanDerWaalsContact O-N 3.11Å; S785-T844 VanDerWaalsContact CB-OG1 3.26Å; S785-T844 WeakPolarHBondContact CB-OG1 3.49Å; S785-T844 PolarHBondContact OG-N 2.85Å
786	V	94	Very high	87.3	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.3	169.8	56.3	0	0	0	0	109.5	S692 A694 L718 L724 L795 L796	S692-V786 WeakPolarHBondContact OG-CG1 3.34Å; A694-V786 HydrophobicContact CB-CG1 4.04Å; A694-V786 HydrophobicContact CB-CG2 4.26Å; L718-V786 HydrophobicContact CB-CB 4.28Å; L718-V786 HydrophobicContact CB-CG1 3.74Å; L718-V786 HydrophobicContact CD2-CB 4.41Å; L718-V786 HydrophobicContact CD2-CG1 4.44Å; L724-V786 HydrophobicContact CD1-CB 4.31Å; L724-V786 HydrophobicContact CD1-CG1 4.5Å; L724-V786 HydrophobicContact CD1-CG2 3.76Å; V786-L795 WeakPolarHBondContact CA-O 3.45Å; V786-L796 HydrophobicContact CB-CD2 3.77Å; V786-L796 HydrophobicContact CG2-CD2 3.74Å
787	N	93.8	Very high	87.5	Confident	34 Å²	34	28 Å²	28	18%	0.182	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.5	171.7	-67.6	-91.7	0	0	0	110	W794 L795 T844 V846	N787-W794 CarbonylContact O-C 3.59Å; N787-W794 WeakPolarHBondContact O-CA 3.17Å; N787-L795 PolarHBondContact N-O 3.01Å; N787-L795 PolarHBondContact O-N 3.45Å; N787-T844 PolarHBondContact ND2-O 2.71Å; N787-V846 HydrophobicContact CB-CB 4.2Å; N787-V846 HydrophobicContact CB-CG2 3.54Å
788	Y	93.2	Very high	88	Confident	8 Å²	8	26.4 Å²	26.4	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.3	167.5	-76.8	-94.4	0	0	0	109.6	A694 P696 S716 E726 E790 W794	A694-Y788 HydrophobicContact CB-CD2 3.92Å; A694-Y788 HydrophobicContact CB-CE2 4.07Å; A694-Y788 WeakPolarHBondContact O-CE2 3.31Å; P696-Y788 HydrophobicContact CB-CD1 4.05Å; P696-Y788 HydrophobicContact CB-CD2 4.26Å; P696-Y788 HydrophobicContact CB-CE1 4.38Å; P696-Y788 HydrophobicContact CB-CG 3.96Å; S716-Y788 PolarHBondContact N-OH 2.97Å; S716-Y788 PolarHBondContact OG-OH 2.91Å; E726-Y788 PolarHBondContact OE1-OH 3.47Å; Y788-E790 WeakPolarHBondContact CD1-O 3.47Å; Y788-W794 AromaticContact CD1-CD1 3.99Å; Y788-W794 AromaticContact CD1-NE1 3.8Å; Y788-W794 AromaticContact CE1-CD1 3.78Å; Y788-W794 AromaticContact CE1-CE2 3.97Å; Y788-W794 HydrophobicContact CE1-CZ2 4.45Å; Y788-W794 AromaticContact CE1-NE1 3.15Å; Y788-W794 AromaticContact CE2-NE1 3.99Å; Y788-W794 AromaticContact CZ-CD1 3.92Å; Y788-W794 AromaticContact CZ-NE1 3.27Å; Y788-W794 VanDerWaalsContact CZ-NE1 3.27Å; Y788-W794 PolarHBondContact OH-NE1 2.93Å
789	I	90	Very high	88.3	Confident	12 Å²	12	21.7 Å²	21.7	6%	0.062	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-51.6	164.4	-70.1	169.2	0	0	0	108.6	M4 K793 L795 V804 V846	M4-I789 HydrophobicContact CE-CB 4.33Å; M4-I789 HydrophobicContact CE-CD1 3.88Å; M4-I789 HydrophobicContact CE-CG1 4.11Å; M4-I789 HydrophobicContact CE-CG2 3.3Å; M4-I789 HydrophobicContact SD-CD1 4.13Å; I789-K793 HydrophobicContact CB-CB 4.15Å; I789-K793 PolarHBondContact N-O 3.01Å; I789-L795 HydrophobicContact CD1-CB 3.95Å; I789-L795 HydrophobicContact CG1-CB 4.04Å; I789-V804 HydrophobicContact CD1-CG1 4.14Å; I789-V804 HydrophobicContact CD1-CG2 4.01Å; I789-V846 HydrophobicContact CG1-CG2 4.08Å
790	E	86.8	Confident	88.3	Confident	74 Å²	74	26.9 Å²	26.9	35%	0.346	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	164.3	175.5	-78.4	167	-146.1	0	0	107.4	Y788 N792 K793	Y788-E790 WeakPolarHBondContact CD1-O 3.47Å; E790-N792 PolarHBondContact O-N 3.24Å; E790-K793 HydrophobicContact CB-CB 4.11Å; E790-K793 HydrophobicContact CB-CD 4.29Å; E790-K793 HydrophobicContact CB-CG 4.17Å; E790-K793 HydrophobicContact CG-CD 4.42Å; E790-K793 PolarHBondContact N-O 3.27Å; E790-K793 PolarHBondContact O-N 2.92Å; E790-K793 VanDerWaalsContact O-O 3.07Å; E790-K793 IonicContact OE1-NZ 2.72Å; E790-K793 PolarHBondContact OE1-NZ 3.25Å; E790-K793 WeakPolarHBondContact OE2-CD 3.44Å; E790-K793 WeakPolarHBondContact OE2-CE 3.13Å; E790-K793 IonicContact OE2-NZ 3.77Å; E790-K793 PolarHBondContact OE2-NZ 3.22Å
791	P	84.7	Confident	88.6	Confident	26 Å²	26	28 Å²	28	17%	0.169	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.1	178.8	-28.1	35.8	0	0	0	115.3	I698	I698-P791 HydrophobicContact CB-CG 4.37Å
792	N	88.9	Confident	89.2	Confident	67 Å²	67	27.3 Å²	27.3	36%	0.358	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	6.7	-179.9	-73.6	-29.7	0	0	0	113.9	E790 S807	E790-N792 PolarHBondContact O-N 3.24Å; N792-S807 WeakPolarHBondContact CB-OG 3.35Å; N792-S807 PolarHBondContact O-N 2.86Å; N792-S807 PolarHBondContact O-OG 3.3Å; N792-S807 PolarHBondContact OD1-OG 3.05Å
793	K	91.2	Very high	89.8	Confident	63 Å²	63	26.4 Å²	26.4	27%	0.274	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.3	-176.3	-60.5	-176.5	-175.2	151.3	0	110.9	I789 E790 L805 V806	I789-K793 HydrophobicContact CB-CB 4.15Å; I789-K793 PolarHBondContact N-O 3.01Å; E790-K793 HydrophobicContact CB-CB 4.11Å; E790-K793 HydrophobicContact CB-CD 4.29Å; E790-K793 HydrophobicContact CB-CG 4.17Å; E790-K793 HydrophobicContact CG-CD 4.42Å; E790-K793 PolarHBondContact N-O 3.27Å; E790-K793 PolarHBondContact O-N 2.92Å; E790-K793 VanDerWaalsContact O-O 3.07Å; E790-K793 IonicContact OE1-NZ 2.72Å; E790-K793 PolarHBondContact OE1-NZ 3.25Å; E790-K793 WeakPolarHBondContact OE2-CD 3.44Å; E790-K793 WeakPolarHBondContact OE2-CE 3.13Å; E790-K793 IonicContact OE2-NZ 3.77Å; E790-K793 PolarHBondContact OE2-NZ 3.22Å; K793-L805 CarbonylContact C-O 3.54Å; K793-L805 WeakPolarHBondContact CA-O 3.36Å; K793-V806 HydrophobicContact CD-CG2 4.41Å; K793-V806 HydrophobicContact CG-CG1 4.13Å; K793-V806 HydrophobicContact CG-CG2 4.07Å
794	W	94.1	Very high	90	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.3	175	-57.2	-82	0	0	0	110.9	S716 L724 E726 W764 L765 N787 Y788 V804 L805	S716-W794 PolarHBondContact OG-NE1 2.93Å; L724-W794 HydrophobicContact CD2-CB 4.24Å; L724-W794 HydrophobicContact CD2-CD2 3.96Å; L724-W794 HydrophobicContact CD2-CG 3.79Å; E726-W794 HydrophobicContact CB-CZ2 4.3Å; E726-W794 HydrophobicContact CG-CZ2 4.48Å; E726-W794 WeakPolarHBondContact OE1-CZ2 3.49Å; W764-W794 HydrophobicContact CZ3-CZ3 4.27Å; L765-W794 HydrophobicContact CD1-CZ3 4.47Å; L765-W794 HydrophobicContact CD2-CH2 4.49Å; L765-W794 HydrophobicContact CD2-CZ2 4.44Å; N787-W794 CarbonylContact O-C 3.59Å; N787-W794 WeakPolarHBondContact O-CA 3.17Å; Y788-W794 AromaticContact CD1-CD1 3.99Å; Y788-W794 AromaticContact CD1-NE1 3.8Å; Y788-W794 AromaticContact CE1-CD1 3.78Å; Y788-W794 AromaticContact CE1-CE2 3.97Å; Y788-W794 HydrophobicContact CE1-CZ2 4.45Å; Y788-W794 AromaticContact CE1-NE1 3.15Å; Y788-W794 AromaticContact CE2-NE1 3.99Å; Y788-W794 AromaticContact CZ-CD1 3.92Å; Y788-W794 AromaticContact CZ-NE1 3.27Å; Y788-W794 VanDerWaalsContact CZ-NE1 3.27Å; Y788-W794 PolarHBondContact OH-NE1 2.93Å; W794-V804 CarbonylContact O-C 3.55Å; W794-V804 VanDerWaalsContact O-CA 3.31Å; W794-V804 WeakPolarHBondContact O-CA 3.26Å; W794-L805 HydrophobicContact CB-CB 4.48Å; W794-L805 HydrophobicContact CE3-CB 4.19Å; W794-L805 HydrophobicContact CE3-CD2 3.91Å; W794-L805 HydrophobicContact CE3-CG 3.92Å; W794-L805 HydrophobicContact CZ3-CD2 4.33Å; W794-L805 HydrophobicContact CZ3-CG 4.35Å; W794-L805 PolarHBondContact N-O 3.26Å; W794-L805 PolarHBondContact O-N 2.87Å
795	L	94.4	Very high	90.4	Very high	4 Å²	4	27 Å²	27	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.4	162.9	-179	65.7	0	0	0	108.4	V786 N787 I789 V804 V846 I852	V786-L795 WeakPolarHBondContact CA-O 3.45Å; N787-L795 PolarHBondContact N-O 3.01Å; N787-L795 PolarHBondContact O-N 3.45Å; I789-L795 HydrophobicContact CD1-CB 3.95Å; I789-L795 HydrophobicContact CG1-CB 4.04Å; L795-V804 HydrophobicContact CD1-CG2 4.02Å; L795-V846 HydrophobicContact CB-CG2 4.28Å; L795-V846 HydrophobicContact CD2-CG2 3.79Å; L795-I852 HydrophobicContact CD2-CB 4.49Å; L795-I852 HydrophobicContact CD2-CG2 4.02Å
796	L	94.5	Very high	90.5	Very high	3 Å²	3	27 Å²	27	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.3	173.3	-60.7	175	0	0	0	109.4	L724 W769 F783 S785 V786 V803	L724-L796 HydrophobicContact CD1-CD2 4.45Å; L724-L796 HydrophobicContact CD2-CD2 4.33Å; W769-L796 HydrophobicContact CZ2-CD1 4.49Å; F783-L796 HydrophobicContact CD1-CB 3.82Å; F783-L796 HydrophobicContact CD2-CB 4.5Å; F783-L796 HydrophobicContact CD2-CD1 4.17Å; F783-L796 HydrophobicContact CE1-CB 4Å; F783-L796 HydrophobicContact CE2-CD1 4.06Å; F783-L796 HydrophobicContact CG-CB 4.1Å; F783-L796 HydrophobicContact CZ-CB 4.41Å; F783-L796 HydrophobicContact CZ-CD1 4.38Å; S785-L796 WeakPolarHBondContact O-CA 3.49Å; V786-L796 HydrophobicContact CB-CD2 3.77Å; V786-L796 HydrophobicContact CG2-CD2 3.74Å; L796-V803 HydrophobicContact CB-CB 4.28Å; L796-V803 PolarHBondContact N-O 3.18Å; L796-V803 PolarHBondContact O-N 2.85Å
797	A	91.6	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128.7	176.8	0	0	0	0	0	111.3	F783 H784 S785 L802 I841 T844	F783-A797 CarbonylContact C-O 3.54Å; F783-A797 VanDerWaalsContact CA-O 3.28Å; F783-A797 WeakPolarHBondContact CA-O 3.43Å; H784-A797 PolarHBondContact CD2-O 3.25Å; H784-A797 PolarHBondContact N-O 3.23Å; H784-A797 PolarHBondContact NE2-O 3.42Å; S785-A797 PolarHBondContact O-N 2.69Å; S785-A797 VanDerWaalsContact O-N 3.11Å; A797-L802 HydrophobicContact CB-CD2 3.97Å; A797-I841 HydrophobicContact CB-CG2 4.22Å; A797-T844 HydrophobicContact CB-CG2 3.35Å; A797-T844 WeakPolarHBondContact CB-OG1 3.5Å
798	S	87.3	Confident	90	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	173.5	162.6	77.1	0	0	0	0	108.9	L780 V782 R800 F801 I841	L780-S798 WeakPolarHBondContact O-CB 3.31Å; L780-S798 PolarHBondContact O-OG 3.29Å; V782-S798 WeakPolarHBondContact O-CB 3.23Å; S798-R800 PolarHBondContact O-N 2.96Å; S798-F801 PolarHBondContact N-O 3.03Å; S798-F801 PolarHBondContact OG-N 2.92Å; S798-F801 VanDerWaalsContact OG-N 3.16Å; S798-I841 WeakPolarHBondContact O-CB 3.38Å
799	N	81.4	Confident	89.8	Confident	59 Å²	59	33.6 Å²	33.6	32%	0.316	16%	0.158	S	C	.	.	S	Bend	trans	-58.2	-22.1	179	66.1	-23.2	0	0	0	114.2	N840 I841	N799-N840 VanDerWaalsContact O-CA 3.27Å; N799-N840 WeakPolarHBondContact O-CA 3.37Å; N799-N840 PolarHBondContact O-N 3.37Å; N799-I841 PolarHBondContact O-N 2.9Å
800	R	84.1	Confident	89.8	Confident	147 Å²	147	38.1 Å²	38.1	56%	0.555	18%	0.182	S	C	*	.	S	Bend	trans	-117.4	-23.8	-176.7	-68.3	-178.5	-173.9	176.4	4.8	114.5	S798	S798-R800 PolarHBondContact O-N 2.96Å
801	F	89.6	Confident	90	Very high	26 Å²	26	36.6 Å²	36.6	11%	0.114	17%	0.174	C	C	.	.			trans	-130.9	137.2	-169.3	-56.2	-73.5	0	0	0	111.6	L780 S798 V803 L820 I834 E836	L780-F801 HydrophobicContact CB-CD2 4.41Å; L780-F801 HydrophobicContact CD2-CB 4.4Å; L780-F801 HydrophobicContact CD2-CD1 4.49Å; L780-F801 HydrophobicContact CD2-CD2 3.89Å; L780-F801 HydrophobicContact CD2-CE2 4.24Å; L780-F801 HydrophobicContact CD2-CG 4.02Å; S798-F801 PolarHBondContact N-O 3.03Å; S798-F801 PolarHBondContact OG-N 2.92Å; S798-F801 VanDerWaalsContact OG-N 3.16Å; F801-V803 HydrophobicContact CB-CG2 4.09Å; F801-L820 HydrophobicContact CE1-CD2 3.87Å; F801-L820 HydrophobicContact CZ-CD2 4.29Å; F801-I834 HydrophobicContact CB-CG2 4.28Å; F801-I834 HydrophobicContact CD1-CG2 3.76Å; F801-I834 HydrophobicContact CE1-CG2 4.47Å; F801-I834 HydrophobicContact CG-CG2 4.27Å; F801-E836 HydrophobicContact CD1-CG 3.95Å; F801-E836 HydrophobicContact CE1-CG 3.78Å
802	L	91.4	Very high	90.2	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.1	159.5	-63.4	170.5	0	0	0	107.7	A797 C835 V838 I841 T844 I852 V854	A797-L802 HydrophobicContact CB-CD2 3.97Å; L802-C835 HydrophobicContact CB-CB 4.17Å; L802-C835 PolarHBondContact N-O 2.79Å; L802-C835 VanDerWaalsContact N-O 3.08Å; L802-C835 PolarHBondContact O-N 3.35Å; L802-V838 HydrophobicContact CD1-CG2 4.29Å; L802-I841 HydrophobicContact CD2-CD1 3.79Å; L802-I841 HydrophobicContact CG-CD1 3.76Å; L802-T844 HydrophobicContact CD2-CG2 3.51Å; L802-I852 HydrophobicContact CD1-CD1 4.39Å; L802-V854 HydrophobicContact CD1-CG2 4.13Å; L802-V854 HydrophobicContact CD2-CG2 4.41Å
803	V	92.5	Very high	90.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.9	-175.3	-178.3	0	0	0	0	108.6	L780 F783 L796 F801 L832 Y833 I834	L780-V803 HydrophobicContact CD1-CG2 4.11Å; L780-V803 HydrophobicContact CD2-CG2 4.48Å; F783-V803 HydrophobicContact CE1-CB 4.14Å; F783-V803 HydrophobicContact CE1-CG2 3.76Å; F783-V803 HydrophobicContact CZ-CB 4.34Å; F783-V803 HydrophobicContact CZ-CG2 4.07Å; L796-V803 HydrophobicContact CB-CB 4.28Å; L796-V803 PolarHBondContact N-O 3.18Å; L796-V803 PolarHBondContact O-N 2.85Å; F801-V803 HydrophobicContact CB-CG2 4.09Å; V803-L832 HydrophobicContact CG1-CD2 3.74Å; V803-Y833 CarbonylContact C-O 3.57Å; V803-Y833 WeakPolarHBondContact CA-O 3.39Å; V803-I834 HydrophobicContact CG2-CG1 4.34Å
804	V	92.1	Very high	89.8	Confident	15 Å²	15	41.1 Å²	41.1	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122	169.1	-179.7	0	0	0	0	108	M1 I789 W794 L795 V806 Y833	M1-V804 HydrophobicContact CE-CB 3.69Å; M1-V804 HydrophobicContact CE-CG1 3.76Å; M1-V804 HydrophobicContact CE-CG2 3.91Å; I789-V804 HydrophobicContact CD1-CG1 4.14Å; I789-V804 HydrophobicContact CD1-CG2 4.01Å; W794-V804 CarbonylContact O-C 3.55Å; W794-V804 VanDerWaalsContact O-CA 3.31Å; W794-V804 WeakPolarHBondContact O-CA 3.26Å; L795-V804 HydrophobicContact CD1-CG2 4.02Å; V804-V806 HydrophobicContact CG1-CG2 4.29Å; V804-Y833 PolarHBondContact N-O 3.01Å; V804-Y833 PolarHBondContact O-N 2.78Å
805	L	93.6	Very high	89.5	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.9	175.4	179.7	67.4	0	0	0	109	L724 W764 L765 F768 K793 W794 C831 L832	L724-L805 HydrophobicContact CD2-CD2 4.43Å; W764-L805 HydrophobicContact CH2-CD1 4.11Å; L765-L805 HydrophobicContact CD1-CD2 3.76Å; F768-L805 HydrophobicContact CD1-CD2 4.46Å; F768-L805 HydrophobicContact CE1-CD1 3.95Å; F768-L805 HydrophobicContact CE1-CD2 4.09Å; F768-L805 HydrophobicContact CE2-CD1 4.06Å; F768-L805 HydrophobicContact CZ-CD1 3.64Å; K793-L805 CarbonylContact C-O 3.54Å; K793-L805 WeakPolarHBondContact CA-O 3.36Å; W794-L805 HydrophobicContact CB-CB 4.48Å; W794-L805 HydrophobicContact CE3-CB 4.19Å; W794-L805 HydrophobicContact CE3-CD2 3.91Å; W794-L805 HydrophobicContact CE3-CG 3.92Å; W794-L805 HydrophobicContact CZ3-CD2 4.33Å; W794-L805 HydrophobicContact CZ3-CG 4.35Å; W794-L805 PolarHBondContact N-O 3.26Å; W794-L805 PolarHBondContact O-N 2.87Å; L805-C831 CarbonylContact C-O 3.58Å; L805-C831 WeakPolarHBondContact CA-O 3.48Å; L805-C831 HydrophobicContact CD1-CB 4.21Å; L805-L832 HydrophobicContact CB-CD2 4.4Å; L805-L832 HydrophobicContact CD1-CD2 3.58Å; L805-L832 HydrophobicContact CD1-CG 4.25Å
806	V	92	Very high	89.1	Confident	12 Å²	12	41.2 Å²	41.2	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129	178.5	-173	0	0	0	0	109.7	W764 K793 V804 K809 C831 Y833	W764-V806 VanDerWaalsContact CH2-O 3.32Å; W764-V806 WeakPolarHBondContact CH2-O 3.45Å; K793-V806 HydrophobicContact CD-CG2 4.41Å; K793-V806 HydrophobicContact CG-CG1 4.13Å; K793-V806 HydrophobicContact CG-CG2 4.07Å; V804-V806 HydrophobicContact CG1-CG2 4.29Å; V806-K809 HydrophobicContact CB-CD 4.02Å; V806-K809 HydrophobicContact CB-CG 4.41Å; V806-K809 HydrophobicContact CG1-CD 3.95Å; V806-K809 HydrophobicContact CG1-CG 4.13Å; V806-C831 PolarHBondContact N-O 3.44Å; V806-C831 VanDerWaalsContact O-CB 3.28Å; V806-C831 WeakPolarHBondContact O-CB 3.3Å; V806-Y833 HydrophobicContact CG2-CD2 4.21Å; V806-Y833 HydrophobicContact CG2-CE2 3.84Å
807	S	89.6	Confident	88.6	Confident	8 Å²	8	48.1 Å²	48.1	6%	0.056	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	155.5	179.8	73.9	0	0	0	0	112.4	N792 K809	N792-S807 WeakPolarHBondContact CB-OG 3.35Å; N792-S807 PolarHBondContact O-N 2.86Å; N792-S807 PolarHBondContact O-OG 3.3Å; N792-S807 PolarHBondContact OD1-OG 3.05Å; S807-K809 PolarHBondContact O-N 3.09Å
808	H	87	Confident	88.3	Confident	118 Å²	118	53.6 Å²	53.6	55%	0.546	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	10.7	173.3	-57.6	-69.6	0	0	0	116.7
809	K	89.6	Confident	88.2	Confident	58 Å²	58	54.3 Å²	54.3	25%	0.252	26%	0.26	S	S	.	.			trans	-90.5	168.5	170.5	-73.6	-164.1	-178.8	-172.2	0	112.3	W764 V806 S807 D828 Y830 C831 Y833	W764-K809 WeakPolarHBondContact CZ2-O 3.39Å; V806-K809 HydrophobicContact CB-CD 4.02Å; V806-K809 HydrophobicContact CB-CG 4.41Å; V806-K809 HydrophobicContact CG1-CD 3.95Å; V806-K809 HydrophobicContact CG1-CG 4.13Å; S807-K809 PolarHBondContact O-N 3.09Å; K809-D828 WeakPolarHBondContact CE-O 3.26Å; K809-D828 PolarHBondContact NZ-O 3.18Å; K809-Y830 WeakPolarHBondContact CD-O 3.37Å; K809-C831 HydrophobicContact CB-CB 3.69Å; K809-Y833 PolarHBondContact NZ-OH 3.4Å
810	N	89.2	Confident	88.3	Confident	106 Å²	106	53.4 Å²	53.4	57%	0.567	26%	0.255	S	S	*	.	B	Isolated β-bridge	trans	-73.7	150.9	-178.2	-69.3	-26.8	0	0	0	112	D829 C831	N810-D829 PolarHBondContact N-O 3.45Å; N810-D829 VanDerWaalsContact N-O 3.1Å; N810-C831 PolarHBondContact O-N 3.02Å; N810-C831 PolarHBondContact O-SG 2.79Å; N810-C831 VanDerWaalsContact O-SG 3.38Å
811	Y	90.8	Very high	88.2	Confident	42 Å²	42	51 Å²	51	17%	0.165	26%	0.257	C	S	.	.			trans	-149	142.4	174	58.6	-92.4	0	0	0	110.5	W764 K767 F768 T771 M772	W764-Y811 AromaticContact CE2-CE1 3.99Å; W764-Y811 AromaticContact CZ2-CD1 3.97Å; W764-Y811 HydrophobicContact CZ2-CD1 3.97Å; W764-Y811 HydrophobicContact CZ2-CE1 4.14Å; W764-Y811 AromaticContact NE1-CE1 3.75Å; K767-Y811 WeakPolarHBondContact CD-OH 3.25Å; K767-Y811 WeakPolarHBondContact CG-OH 3.42Å; F768-Y811 HydrophobicContact CB-CE1 4.12Å; F768-Y811 AromaticContact CD2-CD1 3.7Å; F768-Y811 HydrophobicContact CD2-CD1 3.7Å; F768-Y811 HydrophobicContact CD2-CD2 4.06Å; F768-Y811 HydrophobicContact CD2-CE1 4.08Å; F768-Y811 HydrophobicContact CD2-CE2 4.42Å; F768-Y811 AromaticContact CD2-CG 3.68Å; F768-Y811 HydrophobicContact CD2-CG 3.68Å; F768-Y811 HydrophobicContact CE2-CD1 4.49Å; F768-Y811 HydrophobicContact CE2-CG 4.19Å; F768-Y811 PolarHBondContact N-OH 2.87Å; T771-Y811 HydrophobicContact CG2-CE2 4.11Å; M772-Y811 HydrophobicContact CG-CD2 3.79Å; M772-Y811 HydrophobicContact CG-CE2 4.5Å; M772-Y811 HydrophobicContact CG-CG 4.38Å; M772-Y811 HydrophobicContact SD-CD2 4.27Å
812	E	89.1	Confident	87.6	Confident	105 Å²	105	57.5 Å²	57.5	49%	0.491	28%	0.282	S	S	.	.			trans	-141	150.5	179.1	-64	-176.8	173.9	0	0	110	M772 M815	M772-E812 WeakPolarHBondContact CE-O 3.28Å; E812-M815 WeakPolarHBondContact O-CB 3.33Å; E812-M815 PolarHBondContact O-N 2.98Å
813	L	87.7	Confident	86.5	Confident	118 Å²	118	65 Å²	65	62%	0.618	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	139.9	174.7	-71.5	170.6	0	0	0	111.2	T771 M772 M815	T771-L813 HydrophobicContact CG2-CD2 4.45Å; T771-L813 HydrophobicContact CG2-CG 4.37Å; T771-L813 WeakPolarHBondContact O-CD2 2.96Å; M772-L813 HydrophobicContact SD-CD2 4.24Å; L813-M815 VanDerWaalsContact C-N 3.26Å; L813-M815 PolarHBondContact O-N 2.96Å
814	G	85.2	Confident	85	Confident	29 Å²	29	74.4 Å²	74.4	30%	0.299	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-1.6	-177.6	0	0	0	0	0	114.2	E775 I816 K817 K818	E775-G814 VanDerWaalsContact CD-N 3.3Å; E775-G814 WeakPolarHBondContact OE1-CA 3.49Å; E775-G814 PolarHBondContact OE1-N 3.33Å; E775-G814 PolarHBondContact OE2-N 3.3Å; G814-I816 VanDerWaalsContact C-N 3.32Å; G814-I816 PolarHBondContact O-N 3.43Å; G814-K817 PolarHBondContact O-N 2.87Å; G814-K818 WeakPolarHBondContact O-CG 3.36Å; G814-K818 PolarHBondContact O-N 2.86Å
815	M	86.7	Confident	83.3	Confident	5 Å²	5	79.5 Å²	79.5	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-59.8	-40.1	176.3	170.8	-178.3	46.8	0	0	111.9	M772 E775 E812 L813 K818 I819 Y830 L832	M772-M815 HydrophobicContact CE-CE 3.87Å; E775-M815 PolarHBondContact OE1-N 2.8Å; E812-M815 WeakPolarHBondContact O-CB 3.33Å; E812-M815 PolarHBondContact O-N 2.98Å; L813-M815 VanDerWaalsContact C-N 3.26Å; L813-M815 PolarHBondContact O-N 2.96Å; M815-K818 WeakPolarHBondContact O-CB 3.46Å; M815-K818 PolarHBondContact O-N 3.44Å; M815-I819 HydrophobicContact CG-CD1 3.73Å; M815-I819 HydrophobicContact CG-CG1 4.28Å; M815-I819 VanDerWaalsContact O-CG1 3.28Å; M815-I819 WeakPolarHBondContact O-CG1 3.36Å; M815-I819 PolarHBondContact O-N 2.61Å; M815-I819 HydrophobicContact SD-CD1 4.32Å; M815-Y830 HydrophobicContact CG-CD1 4.36Å; M815-Y830 HydrophobicContact SD-CD1 3.3Å; M815-Y830 WeakPolarHBondContact SD-CD1 3.47Å; M815-Y830 HydrophobicContact SD-CE1 4.08Å; M815-Y830 HydrophobicContact SD-CG 3.91Å; M815-L832 HydrophobicContact CE-CB 4.25Å; M815-L832 HydrophobicContact CE-CD1 3.73Å; M815-L832 HydrophobicContact CE-CG 4.16Å
816	I	86.6	Confident	81.5	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-67.4	-44.6	-176.5	-61.4	172.2	0	0	0	109.4	M772 E775 I776 L780 G814 K818 I819 L820 L832 I834	M772-I816 HydrophobicContact CE-CD1 4.09Å; M772-I816 HydrophobicContact CE-CG1 4.17Å; E775-I816 HydrophobicContact CB-CD1 4.36Å; E775-I816 HydrophobicContact CG-CB 4.2Å; E775-I816 HydrophobicContact CG-CD1 4.01Å; E775-I816 HydrophobicContact CG-CG1 4.41Å; E775-I816 WeakPolarHBondContact OE1-CA 3.37Å; E775-I816 VanDerWaalsContact OE1-CB 3.26Å; E775-I816 WeakPolarHBondContact OE1-CB 3.17Å; E775-I816 PolarHBondContact OE1-N 2.86Å; I776-I816 HydrophobicContact CB-CD1 4.33Å; I776-I816 HydrophobicContact CG1-CD1 3.49Å; I776-I816 VanDerWaalsContact CG1-CD1 3.49Å; L780-I816 HydrophobicContact CD1-CD1 3.92Å; L780-I816 HydrophobicContact CD1-CG2 4.26Å; L780-I816 HydrophobicContact CD2-CG2 4.04Å; L780-I816 HydrophobicContact CG-CD1 4.46Å; L780-I816 HydrophobicContact CG-CG2 3.99Å; G814-I816 VanDerWaalsContact C-N 3.32Å; G814-I816 PolarHBondContact O-N 3.43Å; I816-K818 VanDerWaalsContact C-N 3.31Å; I816-K818 PolarHBondContact O-N 2.95Å; I816-I819 PolarHBondContact O-N 2.89Å; I816-L820 HydrophobicContact CG2-CD1 3.81Å; I816-L820 HydrophobicContact CG2-CG 4.29Å; I816-L820 WeakPolarHBondContact O-CG 3.47Å; I816-L820 PolarHBondContact O-N 2.87Å; I816-L832 HydrophobicContact CD1-CD1 4.02Å; I816-L832 HydrophobicContact CG1-CD1 3.87Å; I816-I834 HydrophobicContact CG2-CD1 3.93Å
817	K	84.4	Confident	80.3	Confident	148 Å²	148	86.1 Å²	86.1	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-57.1	-45.3	173.8	-170.8	174	-179.2	175.7	0	110.9	E775 G814 I819 L820 T821	E775-K817 PolarHBondContact OE1-N 2.78Å; G814-K817 PolarHBondContact O-N 2.87Å; K817-I819 PolarHBondContact O-N 3.24Å; K817-L820 PolarHBondContact O-N 2.91Å; K817-T821 WeakPolarHBondContact O-CB 3.5Å; K817-T821 PolarHBondContact O-N 2.89Å; K817-T821 PolarHBondContact O-OG1 2.95Å
818	K	84.2	Confident	79.3	Confident	115 Å²	115	90.9 Å²	90.9	50%	0.5	44%	0.442	S	S	.	.	H	α-helix	trans	-59.4	-46.2	175.1	-70.5	171.7	-177	173.1	0	112.1	G814 M815 I816 L820 Y822	G814-K818 WeakPolarHBondContact O-CG 3.36Å; G814-K818 PolarHBondContact O-N 2.86Å; M815-K818 WeakPolarHBondContact O-CB 3.46Å; M815-K818 PolarHBondContact O-N 3.44Å; I816-K818 VanDerWaalsContact C-N 3.31Å; I816-K818 PolarHBondContact O-N 2.95Å; K818-L820 PolarHBondContact O-N 3.44Å; K818-Y822 HydrophobicContact CB-CD2 4.2Å; K818-Y822 HydrophobicContact CB-CE2 4.49Å; K818-Y822 HydrophobicContact CG-CE2 4.39Å; K818-Y822 WeakPolarHBondContact O-CB 3.05Å; K818-Y822 VanDerWaalsContact O-CD2 3.23Å; K818-Y822 WeakPolarHBondContact O-CD2 3.22Å; K818-Y822 PolarHBondContact O-N 2.66Å
819	I	84.5	Confident	78.9	Confident	15 Å²	15	90.4 Å²	90.4	8%	0.077	44%	0.443	C	S	.	.	H	α-helix	trans	-58.5	-50.1	178.6	-68.7	163.6	0	0	0	110.8	M815 I816 K817 K823 V826 L832 I834	M815-I819 HydrophobicContact CG-CD1 3.73Å; M815-I819 HydrophobicContact CG-CG1 4.28Å; M815-I819 VanDerWaalsContact O-CG1 3.28Å; M815-I819 WeakPolarHBondContact O-CG1 3.36Å; M815-I819 PolarHBondContact O-N 2.61Å; M815-I819 HydrophobicContact SD-CD1 4.32Å; I816-I819 PolarHBondContact O-N 2.89Å; K817-I819 PolarHBondContact O-N 3.24Å; I819-K823 WeakPolarHBondContact O-CA 3.33Å; I819-K823 PolarHBondContact O-N 2.86Å; I819-V826 HydrophobicContact CD1-CG2 3.55Å; I819-V826 HydrophobicContact CG1-CG2 3.17Å; I819-L832 HydrophobicContact CD1-CB 4.41Å; I819-I834 HydrophobicContact CB-CD1 4.16Å; I819-I834 HydrophobicContact CD1-CD1 3.99Å; I819-I834 HydrophobicContact CG2-CB 4.15Å; I819-I834 HydrophobicContact CG2-CD1 3.84Å; I819-I834 HydrophobicContact CG2-CG1 4.38Å
820	L	84.1	Confident	78.7	Confident	41 Å²	41	90.2 Å²	90.2	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-68	-42.3	-176.2	-65.3	173.2	0	0	0	111.9	F801 I816 K817 K818 I834 E836	F801-L820 HydrophobicContact CE1-CD2 3.87Å; F801-L820 HydrophobicContact CZ-CD2 4.29Å; I816-L820 HydrophobicContact CG2-CD1 3.81Å; I816-L820 HydrophobicContact CG2-CG 4.29Å; I816-L820 WeakPolarHBondContact O-CG 3.47Å; I816-L820 PolarHBondContact O-N 2.87Å; K817-L820 PolarHBondContact O-N 2.91Å; K818-L820 PolarHBondContact O-N 3.44Å; L820-I834 HydrophobicContact CD2-CG2 4.12Å; L820-E836 WeakPolarHBondContact CD2-OE1 3.43Å
821	T	82.7	Confident	78.8	Confident	96 Å²	96	85.1 Å²	85.1	59%	0.589	41%	0.414	S	S	*	.	H	α-helix	trans	-70.5	-46.3	-179.6	-57.5	0	0	0	0	112.3	K817	K817-T821 WeakPolarHBondContact O-CB 3.5Å; K817-T821 PolarHBondContact O-N 2.89Å; K817-T821 PolarHBondContact O-OG1 2.95Å
822	Y	77.9	Confident	78.7	Confident	163 Å²	163	83.4 Å²	83.4	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-88.6	-10.9	-173.9	-65	-67.8	0	0	0	113.9	K818 R824	K818-Y822 HydrophobicContact CB-CD2 4.2Å; K818-Y822 HydrophobicContact CB-CE2 4.49Å; K818-Y822 HydrophobicContact CG-CE2 4.39Å; K818-Y822 WeakPolarHBondContact O-CB 3.05Å; K818-Y822 VanDerWaalsContact O-CD2 3.23Å; K818-Y822 WeakPolarHBondContact O-CD2 3.22Å; K818-Y822 PolarHBondContact O-N 2.66Å; Y822-R824 PolarHBondContact O-N 2.86Å
823	K	67.7	Low	78.7	Confident	169 Å²	169	80 Å²	80	74%	0.735	39%	0.391	S	S	*	.			trans	48.3	22.5	-174.4	-64.9	-175.3	175.8	176.9	0	113.8	I819	I819-K823 WeakPolarHBondContact O-CA 3.33Å; I819-K823 PolarHBondContact O-N 2.86Å
824	R	59.5	Low	78.8	Confident	198 Å²	198	75.9 Å²	75.9	75%	0.747	37%	0.369	S	S	*	.			trans	-89.2	134.4	174.7	-76.7	-174.5	176.1	-178.9	-1.3	107.6	Y822 V826	Y822-R824 PolarHBondContact O-N 2.86Å; R824-V826 PolarHBondContact O-N 3.03Å; R824-V826 VanDerWaalsContact O-N 3.1Å
825	T	57.2	Low	78.9	Confident	123 Å²	123	76.5 Å²	76.5	76%	0.755	37%	0.368	S	S	*	.			trans	-57	115.4	155.1	47.7	0	0	0	0	105.4
826	V	56.6	Low	78.8	Confident	37 Å²	37	79.9 Å²	79.9	22%	0.224	38%	0.384	C	S	.	.			trans	-56.1	154.2	167.7	-145.6	0	0	0	0	107.5	I819 R824 Y830	I819-V826 HydrophobicContact CD1-CG2 3.55Å; I819-V826 HydrophobicContact CG1-CG2 3.17Å; R824-V826 PolarHBondContact O-N 3.03Å; R824-V826 VanDerWaalsContact O-N 3.1Å; V826-Y830 HydrophobicContact CB-CD2 3.62Å; V826-Y830 HydrophobicContact CB-CE2 4.22Å; V826-Y830 HydrophobicContact CB-CG 3.95Å; V826-Y830 HydrophobicContact CG1-CD1 4.24Å; V826-Y830 HydrophobicContact CG1-CD2 3.05Å; V826-Y830 HydrophobicContact CG1-CE1 4.3Å; V826-Y830 HydrophobicContact CG1-CE2 3.17Å; V826-Y830 HydrophobicContact CG1-CG 3.61Å
827	D	65.1	Low	78.6	Confident	115 Å²	115	85 Å²	85	62%	0.615	41%	0.412	S	S	*	.			trans	-43.3	150.7	175.1	-69	-44.3	0	0	0	111.1	D829 Y830	D827-D829 PolarHBondContact O-N 2.94Å; D827-Y830 HydrophobicContact CB-CD2 4.34Å; D827-Y830 HydrophobicContact CB-CE2 4.4Å; D827-Y830 PolarHBondContact O-N 2.91Å; D827-Y830 VanDerWaalsContact O-N 3.1Å
828	D	69.2	Low	78.5	Confident	108 Å²	108	78.6 Å²	78.6	58%	0.578	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-4.1	-179.5	-85.6	-32.8	0	0	0	113.6	K809 Y833	K809-D828 WeakPolarHBondContact CE-O 3.26Å; K809-D828 PolarHBondContact NZ-O 3.18Å; D828-Y833 PolarHBondContact OD1-OH 2.92Å
829	D	78.4	Confident	78.4	Confident	108 Å²	108	79.7 Å²	79.7	58%	0.578	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16	175.3	-67.7	-18.9	0	0	0	114.7	N810 D827	N810-D829 PolarHBondContact N-O 3.45Å; N810-D829 VanDerWaalsContact N-O 3.1Å; D827-D829 PolarHBondContact O-N 2.94Å
830	Y	86.3	Confident	78.4	Confident	53 Å²	53	82.4 Å²	82.4	21%	0.208	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-92.5	149.8	-176.1	-69.2	-91	0	0	0	113.6	K809 M815 V826 D827	K809-Y830 WeakPolarHBondContact CD-O 3.37Å; M815-Y830 HydrophobicContact CG-CD1 4.36Å; M815-Y830 HydrophobicContact SD-CD1 3.3Å; M815-Y830 WeakPolarHBondContact SD-CD1 3.47Å; M815-Y830 HydrophobicContact SD-CE1 4.08Å; M815-Y830 HydrophobicContact SD-CG 3.91Å; V826-Y830 HydrophobicContact CB-CD2 3.62Å; V826-Y830 HydrophobicContact CB-CE2 4.22Å; V826-Y830 HydrophobicContact CB-CG 3.95Å; V826-Y830 HydrophobicContact CG1-CD1 4.24Å; V826-Y830 HydrophobicContact CG1-CD2 3.05Å; V826-Y830 HydrophobicContact CG1-CE1 4.3Å; V826-Y830 HydrophobicContact CG1-CE2 3.17Å; V826-Y830 HydrophobicContact CG1-CG 3.61Å; D827-Y830 HydrophobicContact CB-CD2 4.34Å; D827-Y830 HydrophobicContact CB-CE2 4.4Å; D827-Y830 PolarHBondContact O-N 2.91Å; D827-Y830 VanDerWaalsContact O-N 3.1Å
831	C	90.2	Very high	78.6	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	40%	0.395	C	S	.	.	S	Bend	trans	-79.6	-17.4	-175.2	65.5	0	0	0	0	115.2	W764 L805 V806 K809 N810	W764-C831 HydrophobicContact CH2-CB 4.06Å; W764-C831 HydrophobicContact CZ2-CB 4.03Å; L805-C831 CarbonylContact C-O 3.58Å; L805-C831 WeakPolarHBondContact CA-O 3.48Å; L805-C831 HydrophobicContact CD1-CB 4.21Å; V806-C831 PolarHBondContact N-O 3.44Å; V806-C831 VanDerWaalsContact O-CB 3.28Å; V806-C831 WeakPolarHBondContact O-CB 3.3Å; K809-C831 HydrophobicContact CB-CB 3.69Å; N810-C831 PolarHBondContact O-N 3.02Å; N810-C831 PolarHBondContact O-SG 2.79Å; N810-C831 VanDerWaalsContact O-SG 3.38Å
832	L	89.8	Confident	78.7	Confident	6 Å²	6	76.9 Å²	76.9	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.9	-172	-75.2	178.7	0	0	0	112.6	F768 V803 L805 M815 I816 I819	F768-L832 HydrophobicContact CZ-CD1 4.2Å; F768-L832 HydrophobicContact CZ-CD2 4.2Å; F768-L832 HydrophobicContact CZ-CG 4.29Å; V803-L832 HydrophobicContact CG1-CD2 3.74Å; L805-L832 HydrophobicContact CB-CD2 4.4Å; L805-L832 HydrophobicContact CD1-CD2 3.58Å; L805-L832 HydrophobicContact CD1-CG 4.25Å; M815-L832 HydrophobicContact CE-CB 4.25Å; M815-L832 HydrophobicContact CE-CD1 3.73Å; M815-L832 HydrophobicContact CE-CG 4.16Å; I816-L832 HydrophobicContact CD1-CD1 4.02Å; I816-L832 HydrophobicContact CG1-CD1 3.87Å; I819-L832 HydrophobicContact CD1-CB 4.41Å
833	Y	88.6	Confident	79.3	Confident	33 Å²	33	70.1 Å²	70.1	13%	0.129	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.1	170.4	-58.2	-96	0	0	0	109.5	M1 V803 V804 V806 K809 D828	M1-Y833 HydrophobicContact CE-CD1 3.93Å; M1-Y833 HydrophobicContact CE-CD2 3.57Å; M1-Y833 HydrophobicContact CE-CE1 4.49Å; M1-Y833 HydrophobicContact CE-CE2 4.18Å; M1-Y833 HydrophobicContact CE-CG 3.42Å; M1-Y833 VanDerWaalsContact CE-CG 3.42Å; V803-Y833 CarbonylContact C-O 3.57Å; V803-Y833 WeakPolarHBondContact CA-O 3.39Å; V804-Y833 PolarHBondContact N-O 3.01Å; V804-Y833 PolarHBondContact O-N 2.78Å; V806-Y833 HydrophobicContact CG2-CD2 4.21Å; V806-Y833 HydrophobicContact CG2-CE2 3.84Å; K809-Y833 PolarHBondContact NZ-OH 3.4Å; D828-Y833 PolarHBondContact OD1-OH 2.92Å
834	I	89.7	Confident	80.5	Confident	31 Å²	31	62.3 Å²	62.3	16%	0.159	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131	-173.6	-58.7	161.2	0	0	0	109.7	L780 F801 V803 I816 I819 L820	L780-I834 HydrophobicContact CD1-CD1 4.29Å; L780-I834 HydrophobicContact CD2-CD1 3.86Å; L780-I834 HydrophobicContact CD2-CG1 4.23Å; L780-I834 HydrophobicContact CD2-CG2 4.13Å; F801-I834 HydrophobicContact CB-CG2 4.28Å; F801-I834 HydrophobicContact CD1-CG2 3.76Å; F801-I834 HydrophobicContact CE1-CG2 4.47Å; F801-I834 HydrophobicContact CG-CG2 4.27Å; V803-I834 HydrophobicContact CG2-CG1 4.34Å; I816-I834 HydrophobicContact CG2-CD1 3.93Å; I819-I834 HydrophobicContact CB-CD1 4.16Å; I819-I834 HydrophobicContact CD1-CD1 3.99Å; I819-I834 HydrophobicContact CG2-CB 4.15Å; I819-I834 HydrophobicContact CG2-CD1 3.84Å; I819-I834 HydrophobicContact CG2-CG1 4.38Å; L820-I834 HydrophobicContact CD2-CG2 4.12Å
835	C	87.4	Confident	82	Confident	43 Å²	43	55.1 Å²	55.1	29%	0.291	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.8	176.6	177.9	0	0	0	0	110.9	L802	L802-C835 HydrophobicContact CB-CB 4.17Å; L802-C835 PolarHBondContact N-O 2.79Å; L802-C835 VanDerWaalsContact N-O 3.08Å; L802-C835 PolarHBondContact O-N 3.35Å
836	E	84.4	Confident	83.6	Confident	76 Å²	76	49.9 Å²	49.9	36%	0.355	25%	0.254	S	S	.	.			trans	-99.1	2	179.7	-46.1	-172	145	0	0	113.6	F801 L820 V838	F801-E836 HydrophobicContact CD1-CG 3.95Å; F801-E836 HydrophobicContact CE1-CG 3.78Å; L820-E836 WeakPolarHBondContact CD2-OE1 3.43Å; E836-V838 PolarHBondContact O-N 2.84Å
837	N	82.5	Confident	85.1	Confident	108 Å²	108	48.9 Å²	48.9	58%	0.578	25%	0.248	S	C	*	.	S	Bend	trans	-70.1	-20.2	-170.3	-68.3	-42.7	0	0	0	112.9	K429	K429-N837 PolarHBondContact NZ-OD1 3.15Å
838	V	82.5	Confident	86	Confident	13 Å²	13	45.1 Å²	45.1	8%	0.079	23%	0.231	C	C	.	.	S	Bend	trans	-115.6	128.9	178.3	-168.6	0	0	0	0	108.7	L802 E836 I841 V854	L802-V838 HydrophobicContact CD1-CG2 4.29Å; E836-V838 PolarHBondContact O-N 2.84Å; V838-I841 HydrophobicContact CB-CD1 4.21Å; V838-I841 HydrophobicContact CB-CG1 4.22Å; V838-I841 HydrophobicContact CG1-CD1 4.34Å; V838-I841 HydrophobicContact CG1-CG1 3.8Å; V838-V854 HydrophobicContact CG1-CG1 3.81Å
839	K	83	Confident	86.4	Confident	138 Å²	138	46.2 Å²	46.2	60%	0.6	23%	0.232	S	C	*	.			trans	-119	158.2	-179.7	-61.4	-174.4	178.5	-173.2	0	109.9	I841	K839-I841 VanDerWaalsContact C-N 3.34Å
840	N	84	Confident	86.6	Confident	71 Å²	71	44.1 Å²	44.1	38%	0.38	23%	0.226	S	C	.	.	S	Bend	trans	57.1	45.9	-178.5	-48.6	-31.6	0	0	0	112.2	N799 S856 I857	N799-N840 VanDerWaalsContact O-CA 3.27Å; N799-N840 WeakPolarHBondContact O-CA 3.37Å; N799-N840 PolarHBondContact O-N 3.37Å; N840-S856 CarbonylContact O-C 3.53Å; N840-S856 WeakPolarHBondContact O-CA 3.36Å; N840-S856 WeakPolarHBondContact O-CB 3.49Å; N840-I857 HydrophobicContact CB-CB 3.98Å; N840-I857 WeakPolarHBondContact CB-O 3.44Å; N840-I857 PolarHBondContact ND2-O 3.18Å; N840-I857 PolarHBondContact O-N 2.91Å
841	I	87.5	Confident	86.6	Confident	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.8	178.6	-58	160.9	0	0	0	108.4	H784 A797 S798 N799 L802 V838 K839 T844 V854	H784-I841 PolarHBondContact NE2-O 2.7Å; A797-I841 HydrophobicContact CB-CG2 4.22Å; S798-I841 WeakPolarHBondContact O-CB 3.38Å; N799-I841 PolarHBondContact O-N 2.9Å; L802-I841 HydrophobicContact CD2-CD1 3.79Å; L802-I841 HydrophobicContact CG-CD1 3.76Å; V838-I841 HydrophobicContact CB-CD1 4.21Å; V838-I841 HydrophobicContact CB-CG1 4.22Å; V838-I841 HydrophobicContact CG1-CD1 4.34Å; V838-I841 HydrophobicContact CG1-CG1 3.8Å; K839-I841 VanDerWaalsContact C-N 3.34Å; I841-T844 HydrophobicContact CG2-CG2 3.62Å; I841-V854 HydrophobicContact CB-CG1 4.45Å; I841-V854 HydrophobicContact CG1-CG1 3.98Å; I841-V854 HydrophobicContact CG2-CG1 3.86Å
842	I	85.4	Confident	86.7	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-40.8	176.5	-43.8	170.3	0	0	0	110.5	Y12 P376 H784 V855 I857	Y12-I842 HydrophobicContact CD1-CD1 3.73Å; Y12-I842 HydrophobicContact CE1-CD1 4.05Å; P376-I842 HydrophobicContact CG-CB 4.29Å; P376-I842 HydrophobicContact CG-CG2 3.52Å; H784-I842 PolarHBondContact CE1-O 2.74Å; H784-I842 PolarHBondContact ND1-O 3.25Å; H784-I842 VanDerWaalsContact ND1-O 3.08Å; I842-V855 HydrophobicContact CD1-CG1 4.09Å; I842-V855 PolarHBondContact N-O 3.31Å; I842-I857 HydrophobicContact CD1-CD1 3.69Å; I842-I857 HydrophobicContact CD1-CG1 3.32Å; I842-I857 HydrophobicContact CG1-CD1 3.94Å; I842-I857 HydrophobicContact CG1-CG1 3.7Å
843	Q	90	Very high	86.8	Confident	21 Å²	21	43.9 Å²	43.9	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145.2	-176.4	-177.3	-177.7	-3.8	0	0	109.6	P376 G377 V855	P376-Q843 VanDerWaalsContact CD-OE1 3.27Å; P376-Q843 HydrophobicContact CG-CB 4.41Å; G377-Q843 PolarHBondContact O-NE2 3.29Å; G377-Q843 PolarHBondContact O-OE1 3.4Å; G377-Q843 VanDerWaalsContact O-OE1 3.13Å; Q843-V855 HydrophobicContact CB-CB 4.28Å; Q843-V855 HydrophobicContact CB-CG2 4.38Å; Q843-V855 PolarHBondContact N-O 3.2Å; Q843-V855 PolarHBondContact O-N 2.99Å
844	T	92.4	Very high	87	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.9	170.5	60.8	0	0	0	0	110.6	S785 N787 A797 L802 I841 A853 V854	S785-T844 VanDerWaalsContact CB-OG1 3.26Å; S785-T844 WeakPolarHBondContact CB-OG1 3.49Å; S785-T844 PolarHBondContact OG-N 2.85Å; N787-T844 PolarHBondContact ND2-O 2.71Å; A797-T844 HydrophobicContact CB-CG2 3.35Å; A797-T844 WeakPolarHBondContact CB-OG1 3.5Å; L802-T844 HydrophobicContact CD2-CG2 3.51Å; I841-T844 HydrophobicContact CG2-CG2 3.62Å; T844-A853 VanDerWaalsContact CA-O 3.32Å; T844-A853 WeakPolarHBondContact CA-O 3.39Å; T844-V854 HydrophobicContact CG2-CG1 4.18Å; T844-V854 HydrophobicContact CG2-CG2 4.1Å
845	E	91.7	Very high	87	Confident	47 Å²	47	40.8 Å²	40.8	22%	0.22	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143	175.7	-167.3	161.5	154.3	0	0	110.4	F379 I852 A853	F379-E845 HydrophobicContact CB-CG 4.38Å; F379-E845 WeakPolarHBondContact CB-OE1 3.42Å; F379-E845 HydrophobicContact CD2-CB 4Å; F379-E845 HydrophobicContact CD2-CG 4.41Å; F379-E845 WeakPolarHBondContact CD2-OE2 3.39Å; F379-E845 HydrophobicContact CE2-CB 4.4Å; F379-E845 HydrophobicContact CG-CB 4.36Å; E845-I852 WeakPolarHBondContact O-CA 3.49Å; E845-A853 PolarHBondContact N-O 2.95Å; E845-A853 PolarHBondContact O-N 2.78Å
846	V	92	Very high	87.1	Confident	14 Å²	14	38.8 Å²	38.8	9%	0.085	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.5	174.9	175.9	0	0	0	0	107.8	N787 I789 L795 S848 I852	N787-V846 HydrophobicContact CB-CB 4.2Å; N787-V846 HydrophobicContact CB-CG2 3.54Å; I789-V846 HydrophobicContact CG1-CG2 4.08Å; L795-V846 HydrophobicContact CB-CG2 4.28Å; L795-V846 HydrophobicContact CD2-CG2 3.79Å; V846-S848 WeakPolarHBondContact CG1-O 3.44Å; V846-I852 HydrophobicContact CG2-CG2 4.32Å
847	L	88	Confident	87	Confident	15 Å²	15	35.5 Å²	35.5	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-34.6	-177.7	-58.6	-179.9	0	0	0	112.3	F379 T381 H400 L415 E851 A853	F379-L847 HydrophobicContact CB-CD2 3.73Å; F379-L847 HydrophobicContact CD1-CD2 3.94Å; F379-L847 HydrophobicContact CG-CD2 4.13Å; T381-L847 PolarHBondContact OG1-O 3.26Å; T381-L847 VanDerWaalsContact OG1-O 3.13Å; H400-L847 HydrophobicContact CB-CD1 4.2Å; L415-L847 HydrophobicContact CD1-CD1 4.08Å; L847-E851 HydrophobicContact CB-CB 4.28Å; L847-E851 PolarHBondContact N-O 2.91Å; L847-A853 HydrophobicContact CD1-CB 4.04Å; L847-A853 HydrophobicContact CD2-CB 4.1Å; L847-A853 HydrophobicContact CG-CB 4.06Å
848	S	82.4	Confident	86.9	Confident	37 Å²	37	32.1 Å²	32.1	26%	0.259	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	174.7	177.4	68.6	0	0	0	0	109.6	V846 S850 E851	V846-S848 WeakPolarHBondContact CG1-O 3.44Å; S848-S850 PolarHBondContact O-N 3.38Å; S848-E851 PolarHBondContact N-O 2.95Å; S848-E851 PolarHBondContact O-N 3.23Å; S848-E851 VanDerWaalsContact OG-CB 3.26Å; S848-E851 WeakPolarHBondContact OG-CB 3.45Å; S848-E851 WeakPolarHBondContact OG-CG 3.36Å; S848-E851 PolarHBondContact OG-N 2.76Å; S848-E851 PolarHBondContact OG-OE2 2.87Å; S848-E851 VanDerWaalsContact OG-OE2 3.05Å
849	E	78.8	Confident	86.5	Confident	130 Å²	130	34.9 Å²	34.9	61%	0.607	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.9	179.4	-65.9	-179.5	175.3	0	0	113.6	M4 I698	M4-E849 WeakPolarHBondContact CE-O 3.49Å; I698-E849 WeakPolarHBondContact CD1-OE1 3.45Å
850	S	81.9	Confident	86.1	Confident	65 Å²	65	37.9 Å²	37.9	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-3.6	-178.7	59.3	0	0	0	0	114.7	M4 T5 S848	M4-S850 CarbonylContact C-O 3.59Å; M4-S850 VanDerWaalsContact CA-O 3.31Å; M4-S850 WeakPolarHBondContact CA-O 3.44Å; T5-S850 PolarHBondContact N-O 3.03Å; S848-S850 PolarHBondContact O-N 3.38Å
851	E	87.3	Confident	85.5	Confident	38 Å²	38	38.2 Å²	38.2	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.1	-171.1	-52	176.3	137.2	0	0	111.5	T5 H400 L847 S848	T5-E851 WeakPolarHBondContact O-CA 3.02Å; T5-E851 WeakPolarHBondContact OG1-CG 3.15Å; H400-E851 IonicContact CE1-OE2 3.03Å; H400-E851 PolarHBondContact CE1-OE2 3.43Å; H400-E851 IonicContact NE2-OE2 3.34Å; H400-E851 PolarHBondContact NE2-OE2 2.83Å; L847-E851 HydrophobicContact CB-CB 4.28Å; L847-E851 PolarHBondContact N-O 2.91Å; S848-E851 PolarHBondContact N-O 2.95Å; S848-E851 PolarHBondContact O-N 3.23Å; S848-E851 VanDerWaalsContact OG-CB 3.26Å; S848-E851 WeakPolarHBondContact OG-CB 3.45Å; S848-E851 WeakPolarHBondContact OG-CG 3.36Å; S848-E851 PolarHBondContact OG-N 2.76Å; S848-E851 PolarHBondContact OG-OE2 2.87Å; S848-E851 VanDerWaalsContact OG-OE2 3.05Å
852	I	91.3	Very high	84.8	Confident	14 Å²	14	38.8 Å²	38.8	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.3	176.1	64.8	173.4	0	0	0	110.2	M4 T5 C6 H7 L795 L802 E845 V846 V854	M4-I852 HydrophobicContact SD-CG2 4.22Å; T5-I852 PolarHBondContact O-N 3.23Å; C6-I852 CarbonylContact C-O 3.58Å; C6-I852 WeakPolarHBondContact CA-O 3.47Å; C6-I852 HydrophobicContact CB-CD1 4.18Å; C6-I852 HydrophobicContact CB-CG1 3.87Å; H7-I852 PolarHBondContact N-O 2.82Å; L795-I852 HydrophobicContact CD2-CB 4.49Å; L795-I852 HydrophobicContact CD2-CG2 4.02Å; L802-I852 HydrophobicContact CD1-CD1 4.39Å; E845-I852 WeakPolarHBondContact O-CA 3.49Å; V846-I852 HydrophobicContact CG2-CG2 4.32Å; I852-V854 HydrophobicContact CD1-CG2 4.25Å
853	A	92.1	Very high	84.1	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.7	167.9	0	0	0	0	0	110.2	H7 F379 T844 E845 L847	H7-A853 HydrophobicContact CB-CB 4.42Å; F379-A853 HydrophobicContact CD1-CB 3.76Å; F379-A853 HydrophobicContact CE1-CB 3.36Å; F379-A853 HydrophobicContact CZ-CB 3.83Å; T844-A853 VanDerWaalsContact CA-O 3.32Å; T844-A853 WeakPolarHBondContact CA-O 3.39Å; E845-A853 PolarHBondContact N-O 2.95Å; E845-A853 PolarHBondContact O-N 2.78Å; L847-A853 HydrophobicContact CD1-CB 4.04Å; L847-A853 HydrophobicContact CD2-CB 4.1Å; L847-A853 HydrophobicContact CG-CB 4.06Å
854	V	92.6	Very high	83.3	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.4	177.6	-176.7	0	0	0	0	108.6	C6 H7 I9 L802 V838 I841 T844 I852	C6-V854 VanDerWaalsContact SG-CG2 3.51Å; H7-V854 PolarHBondContact O-N 2.79Å; I9-V854 PolarHBondContact N-O 3.41Å; L802-V854 HydrophobicContact CD1-CG2 4.13Å; L802-V854 HydrophobicContact CD2-CG2 4.41Å; V838-V854 HydrophobicContact CG1-CG1 3.81Å; I841-V854 HydrophobicContact CB-CG1 4.45Å; I841-V854 HydrophobicContact CG1-CG1 3.98Å; I841-V854 HydrophobicContact CG2-CG1 3.86Å; T844-V854 HydrophobicContact CG2-CG1 4.18Å; T844-V854 HydrophobicContact CG2-CG2 4.1Å; I852-V854 HydrophobicContact CD1-CG2 4.25Å
855	V	90.7	Very high	82.2	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.5	169.8	-173.7	0	0	0	0	107.3	I9 Y12 P376 F379 I842 Q843	I9-V855 HydrophobicContact CB-CG2 4.42Å; I9-V855 HydrophobicContact CD1-CG2 4.29Å; Y12-V855 HydrophobicContact CD1-CG1 4.45Å; Y12-V855 HydrophobicContact CG-CG1 4.08Å; P376-V855 HydrophobicContact CB-CG1 4.34Å; F379-V855 HydrophobicContact CE2-CG2 4.15Å; F379-V855 HydrophobicContact CZ-CG2 3.68Å; I842-V855 HydrophobicContact CD1-CG1 4.09Å; I842-V855 PolarHBondContact N-O 3.31Å; Q843-V855 HydrophobicContact CB-CB 4.28Å; Q843-V855 HydrophobicContact CB-CG2 4.38Å; Q843-V855 PolarHBondContact N-O 3.2Å; Q843-V855 PolarHBondContact O-N 2.99Å
856	S	88.6	Confident	81.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.5	179	66.3	0	0	0	0	112	R8 I9 N10 N840	R8-S856 PolarHBondContact NE-OG 2.85Å; R8-S856 VanDerWaalsContact NE-OG 3.16Å; I9-S856 PolarHBondContact O-N 2.94Å; I9-S856 VanDerWaalsContact O-O 3.12Å; N10-S856 PolarHBondContact OD1-OG 3.45Å; N840-S856 CarbonylContact O-C 3.53Å; N840-S856 WeakPolarHBondContact O-CA 3.36Å; N840-S856 WeakPolarHBondContact O-CB 3.49Å
857	I	83	Confident	79.9	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.041	27%	0.271	C	S	.	.			trans	-82.2	119.2	177.9	-65.8	178.9	0	0	0	110.1	Y14 F364 N840 I842 I862	Y14-I857 HydrophobicContact CD1-CD1 3.98Å; Y14-I857 HydrophobicContact CD2-CD1 4.5Å; Y14-I857 HydrophobicContact CG-CD1 3.91Å; F364-I857 HydrophobicContact CD1-CD1 3.36Å; F364-I857 HydrophobicContact CE1-CD1 3.36Å; N840-I857 HydrophobicContact CB-CB 3.98Å; N840-I857 WeakPolarHBondContact CB-O 3.44Å; N840-I857 PolarHBondContact ND2-O 3.18Å; N840-I857 PolarHBondContact O-N 2.91Å; I842-I857 HydrophobicContact CD1-CD1 3.69Å; I842-I857 HydrophobicContact CD1-CG1 3.32Å; I842-I857 HydrophobicContact CG1-CD1 3.94Å; I842-I857 HydrophobicContact CG1-CG1 3.7Å; I857-I862 HydrophobicContact CB-CD1 4.47Å; I857-I862 HydrophobicContact CG2-CD1 3.15Å; I857-I862 HydrophobicContact CG2-CG1 4.23Å
858	D	80.4	Confident	79	Confident	37 Å²	37	54 Å²	54	20%	0.198	30%	0.298	C	S	.	.			trans	-88.5	113.8	167.4	-162.8	-20.5	0	0	0	110.1	N10 R860 N861 I862	N10-D858 HydrophobicContact CB-CB 4.14Å; D858-R860 PolarHBondContact O-N 3.17Å; D858-R860 VanDerWaalsContact O-N 3.15Å; D858-R860 WeakPolarHBondContact OD1-CB 3.46Å; D858-R860 PolarHBondContact OD1-N 3.21Å; D858-N861 HydrophobicContact CB-CB 4.44Å; D858-N861 PolarHBondContact O-N 3.41Å; D858-N861 VanDerWaalsContact O-N 3.12Å; D858-I862 PolarHBondContact O-N 3.25Å
859	S	74.2	Confident	78.2	Confident	70 Å²	70	55 Å²	55	49%	0.49	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-27.9	178.6	53.8	0	0	0	0	112.6	N861 I862 T863	S859-N861 VanDerWaalsContact C-N 3.34Å; S859-N861 PolarHBondContact O-N 2.77Å; S859-I862 PolarHBondContact O-N 2.82Å; S859-T863 PolarHBondContact O-N 2.74Å; S859-T863 VanDerWaalsContact O-N 3.08Å; S859-T863 PolarHBondContact O-OG1 3.38Å
860	R	74	Confident	77.6	Confident	202 Å²	202	49.8 Å²	49.8	76%	0.762	28%	0.279	S	S	*	.	H	α-helix	trans	-67.7	-33.3	179.2	-61.8	176.9	-178.5	-176.2	-0	112.8	D858 P864	D858-R860 PolarHBondContact O-N 3.17Å; D858-R860 VanDerWaalsContact O-N 3.15Å; D858-R860 WeakPolarHBondContact OD1-CB 3.46Å; D858-R860 PolarHBondContact OD1-N 3.21Å; R860-P864 VanDerWaalsContact O-CD 3.31Å; R860-P864 WeakPolarHBondContact O-CD 3.42Å
861	N	72.2	Confident	76.8	Confident	78 Å²	78	51.4 Å²	51.4	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-77.2	-32.6	179.5	-68.5	-11.2	0	0	0	111.6	N10 D858 S859 P864	N10-N861 PolarHBondContact O-ND2 3.1Å; D858-N861 HydrophobicContact CB-CB 4.44Å; D858-N861 PolarHBondContact O-N 3.41Å; D858-N861 VanDerWaalsContact O-N 3.12Å; S859-N861 VanDerWaalsContact C-N 3.34Å; S859-N861 PolarHBondContact O-N 2.77Å; N861-P864 WeakPolarHBondContact O-CD 3.44Å
862	I	71.6	Confident	75.7	Confident	18 Å²	18	58.4 Å²	58.4	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-79	-41.9	-177.8	-65.2	-177.6	0	0	0	112.1	Y14 P16 I857 D858 S859 P864 Q865 L866	Y14-I862 HydrophobicContact CD1-CD1 4Å; Y14-I862 HydrophobicContact CG-CD1 4.49Å; P16-I862 HydrophobicContact CG-CG2 4.41Å; I857-I862 HydrophobicContact CB-CD1 4.47Å; I857-I862 HydrophobicContact CG2-CD1 3.15Å; I857-I862 HydrophobicContact CG2-CG1 4.23Å; D858-I862 PolarHBondContact O-N 3.25Å; S859-I862 PolarHBondContact O-N 2.82Å; I862-P864 VanDerWaalsContact C-CD 3.42Å; I862-P864 VanDerWaalsContact C-N 3.32Å; I862-P864 VanDerWaalsContact O-N 3.11Å; I862-Q865 WeakPolarHBondContact O-CA 3.47Å; I862-Q865 WeakPolarHBondContact O-CB 3.36Å; I862-Q865 PolarHBondContact O-N 2.94Å; I862-L866 HydrophobicContact CG2-CD1 4.48Å; I862-L866 HydrophobicContact CG2-CD2 3.53Å; I862-L866 HydrophobicContact CG2-CG 3.88Å; I862-L866 WeakPolarHBondContact O-CG 3.2Å; I862-L866 PolarHBondContact O-N 3.11Å; I862-L866 VanDerWaalsContact O-N 3.13Å
863	T	72	Confident	74	Confident	78 Å²	78	66 Å²	66	48%	0.479	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-44.9	-47.1	-174	-55.9	0	0	0	0	114.2	S859 Q865	S859-T863 PolarHBondContact O-N 2.74Å; S859-T863 VanDerWaalsContact O-N 3.08Å; S859-T863 PolarHBondContact O-OG1 3.38Å; T863-Q865 VanDerWaalsContact C-N 3.33Å; T863-Q865 PolarHBondContact O-N 3.16Å
864	P	72	Confident	72.1	Confident	90 Å²	90	71.7 Å²	71.7	58%	0.584	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-72.9	-20.2	178.3	29.1	-36.4	0	0	0	114.7	R860 N861 I862 Q871	R860-P864 VanDerWaalsContact O-CD 3.31Å; R860-P864 WeakPolarHBondContact O-CD 3.42Å; N861-P864 WeakPolarHBondContact O-CD 3.44Å; I862-P864 VanDerWaalsContact C-CD 3.42Å; I862-P864 VanDerWaalsContact C-N 3.32Å; I862-P864 VanDerWaalsContact O-N 3.11Å; P864-Q871 PolarHBondContact O-NE2 3.26Å; P864-Q871 VanDerWaalsContact O-NE2 3.13Å
865	Q	69.6	Low	69.8	Low	95 Å²	95	81.2 Å²	81.2	44%	0.444	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-89.5	-12.2	179.8	-60.8	-178	-7.4	0	0	113	I862 T863	I862-Q865 WeakPolarHBondContact O-CA 3.47Å; I862-Q865 WeakPolarHBondContact O-CB 3.36Å; I862-Q865 PolarHBondContact O-N 2.94Å; T863-Q865 VanDerWaalsContact C-N 3.33Å; T863-Q865 PolarHBondContact O-N 3.16Å
866	L	69.1	Low	67.2	Low	31 Å²	31	85.1 Å²	85.1	16%	0.162	45%	0.445	C	S	.	.	S	Bend	trans	-60.1	145.7	178.4	-69.3	176	0	0	0	110.9	P16 I862 L870 Q871	P16-L866 HydrophobicContact CG-CD2 3.41Å; P16-L866 VanDerWaalsContact CG-CD2 3.41Å; I862-L866 HydrophobicContact CG2-CD1 4.48Å; I862-L866 HydrophobicContact CG2-CD2 3.53Å; I862-L866 HydrophobicContact CG2-CG 3.88Å; I862-L866 WeakPolarHBondContact O-CG 3.2Å; I862-L866 PolarHBondContact O-N 3.11Å; I862-L866 VanDerWaalsContact O-N 3.13Å; L866-L870 HydrophobicContact CB-CB 3.74Å; L866-L870 HydrophobicContact CD1-CB 4.17Å; L866-L870 HydrophobicContact CD2-CB 4.18Å; L866-L870 HydrophobicContact CD2-CD1 4.07Å; L866-L870 HydrophobicContact CG-CB 4.23Å; L866-Q871 HydrophobicContact CB-CG 3.85Å; L866-Q871 WeakPolarHBondContact O-CG 3.44Å; L866-Q871 PolarHBondContact O-NE2 3.27Å
867	A	66.9	Low	64.7	Low	45 Å²	45	94.9 Å²	94.9	37%	0.372	50%	0.504	S	S	.	.			trans	-56	150	170.3	0	0	0	0	0	110.5	P869 L870 Q871	A867-P869 VanDerWaalsContact C-N 3.27Å; A867-L870 WeakPolarHBondContact O-CA 3.04Å; A867-L870 WeakPolarHBondContact O-CB 3.44Å; A867-L870 PolarHBondContact O-N 2.78Å; A867-Q871 PolarHBondContact O-N 3.09Å; A867-Q871 VanDerWaalsContact O-N 3.14Å
868	P	68.9	Low	63.8	Low	97 Å²	97	99.2 Å²	99.2	63%	0.63	53%	0.527	S	S	*	.	H	α-helix	trans	-47.5	-39.4	-177.8	-27.2	32.9	0	0	0	115.4	L870 Q871 R872	P868-L870 VanDerWaalsContact C-N 3.33Å; P868-L870 PolarHBondContact O-N 2.71Å; P868-Q871 PolarHBondContact O-N 2.88Å; P868-R872 PolarHBondContact O-N 2.92Å
869	P	65.1	Low	62.9	Low	58 Å²	58	102.5 Å²	102.5	38%	0.377	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-33.2	177.1	-17.7	30.5	0	0	0	113.5	R279 Q315 A867 Q871	R279-P869 PolarHBondContact NH1-O 3.36Å; Q315-P869 HydrophobicContact CG-CB 4.17Å; A867-P869 VanDerWaalsContact C-N 3.27Å; P869-Q871 VanDerWaalsContact C-N 3.35Å
870	L	65.8	Low	62.3	Low	20 Å²	20	104.3 Å²	104.3	11%	0.105	55%	0.548	C	S	.	.	H	α-helix	trans	-76.1	-21.2	176.3	-83.9	167.2	0	0	0	112.9	R279 Q315 L866 A867 P868	R279-L870 PolarHBondContact NH2-O 2.8Å; Q315-L870 HydrophobicContact CG-CD2 4.46Å; Q315-L870 HydrophobicContact CG-CG 4.34Å; Q315-L870 WeakPolarHBondContact O-CD2 3.4Å; L866-L870 HydrophobicContact CB-CB 3.74Å; L866-L870 HydrophobicContact CD1-CB 4.17Å; L866-L870 HydrophobicContact CD2-CB 4.18Å; L866-L870 HydrophobicContact CD2-CD1 4.07Å; L866-L870 HydrophobicContact CG-CB 4.23Å; A867-L870 WeakPolarHBondContact O-CA 3.04Å; A867-L870 WeakPolarHBondContact O-CB 3.44Å; A867-L870 PolarHBondContact O-N 2.78Å; P868-L870 VanDerWaalsContact C-N 3.33Å; P868-L870 PolarHBondContact O-N 2.71Å
871	Q	66.6	Low	61.6	Low	99 Å²	99	98.5 Å²	98.5	46%	0.463	54%	0.535	S	S	.	.	H	α-helix	trans	-78.6	-25.9	175.2	-65.9	-175.3	0.5	0	0	113.3	P864 L866 A867 P868 P869	P864-Q871 PolarHBondContact O-NE2 3.26Å; P864-Q871 VanDerWaalsContact O-NE2 3.13Å; L866-Q871 HydrophobicContact CB-CG 3.85Å; L866-Q871 WeakPolarHBondContact O-CG 3.44Å; L866-Q871 PolarHBondContact O-NE2 3.27Å; A867-Q871 PolarHBondContact O-N 3.09Å; A867-Q871 VanDerWaalsContact O-N 3.14Å; P868-Q871 PolarHBondContact O-N 2.88Å; P869-Q871 VanDerWaalsContact C-N 3.35Å
872	R	63	Low	60.9	Low	185 Å²	185	99.8 Å²	99.8	70%	0.698	54%	0.543	S	S	*	.	S	Bend	trans	-56.6	140.9	-177.8	-75	-178	175.2	175.1	-1.8	111	R279 P868	R279-R872 PolarHBondContact NH1-O 2.83Å; R279-R872 PolarHBondContact NH2-O 3.2Å; P868-R872 PolarHBondContact O-N 2.92Å
873	K	54.9	Low	60.2	Low	175 Å²	175	105.3 Å²	105.3	76%	0.761	57%	0.573	S	S	*	*			trans	-66.6	155.6	171.9	-72.8	-179	179.5	174	0	110.4	Y875	K873-Y875 PolarHBondContact O-N 3.47Å
874	L	53.8	Low	59.3	Low	120 Å²	120	107.2 Å²	107.2	63%	0.628	58%	0.579	S	S	*	*	S	Bend	trans	-51.9	-23.3	177.5	-82.8	147.3	0	0	0	114	R278	R278-L874 HydrophobicContact CB-CD2 4.29Å
875	Y	43.1	Very low	58.4	Low	199 Å²	199	108.5 Å²	108.5	78%	0.78	58%	0.579	S	S	*	*	S	Bend	trans	-121.4	124.1	175.7	-61.7	-78.3	0	0	0	108.2	K873 T877	K873-Y875 PolarHBondContact O-N 3.47Å; Y875-T877 PolarHBondContact O-N 3.2Å; Y875-T877 VanDerWaalsContact O-N 3.13Å
876	G	37	Very low	57.4	Low	83 Å²	83	109.7 Å²	109.7	86%	0.856	59%	0.59	S	S	*	*			trans	-60.5	110.5	179.3	0	0	0	0	0	112
877	T	35	Very low	56.4	Low	204 Å²	204	116.8 Å²	116.8	100%	1.252	63%	0.629	S	S	*	*			trans	-138.5	0	142.9	53.1	0	0	0	0	107.2	Y875	Y875-T877 PolarHBondContact O-N 3.2Å; Y875-T877 VanDerWaalsContact O-N 3.13Å

Retrieved 877 of 877 residues in 910.2 ms (Link to these results)

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