A0A5K4FAQ6_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAQ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

						>A0A5K4FAQ6_SCHMA|A0A5K4FAQ6
MVTCPIDLNFLDNPKLLPCGHAFCCKCLNKYMEKLPPSPPTNARNTITASNNNSHNNNSRNNHNNNTNTGNLQDHRNGKSNEKTSFPCPICRALCPIPATRNADSFPSAFNHKAILEFLKNNHINSFVSRMNNNNNNGTVEQSDSTGKSPIPTRKTSLQVSSRMLNYIVDDIASRQREGRMNEIDRAVIIDEFKEILVNLQAFDDKLPLKSLNNNNKQHSLNVNNVNSLDKNTNRDNTINGNNNNGCSTLPCTTTNPRSSTPSTISPTNSIRHFGRFHAAASRIRRFTASSISSNDLLPIETASSYVSYRDAEGLRIMMERNSKFHVLTKGKDCCIMRPGEIYQPIDMKLMINHEDNNCNIHRFTLTTNLKCDELLLWKQQLHFNNGFFNLIHNNHKYGLNQISSQIIVDNSNPIKILYLRFHGSVIYLTGIITPNTSTASTLDEEEELDSIEKSEFGILVCCTISDEDHSNKNDTPTLINGGGRNNNNHETNSESNQNTSSSTNPFPIIATSSLFYRDNVGLERQNQPIIFGIDIDHTNGDIYIAQPANAMICRLKSNDLTRIDRTWYLNDPQLSPYFLCLAKNEQNVWATCPTEDKVLILDIDVDGYFHFTPSISFNIVPGHIIYTSDNRIILLDQSNYDLYWITRIEKAICVQRLYYNIGSHQPKKFQIMAIQPVYSDEIVHSANSTTTTTTNTSTMSSINHSSYSNHHHQQQTTYYNGNTHNHSNENGNNKLKLFSKHSFTTATSLSPSSSQSIDKLRGGIMCAHNYGCTVIYPQKLFSRNKSAKISSCLNLCVRI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.6	Low	73.1	Confident	57 Å²	57	48.6 Å²	48.6	28%	0.281	26%	0.256	S	S	.	.				0	130.3	0	-177.8	167.8	174.6	0	0	107.8	T3 L11 H112 L200	M1-T3 VanDerWaalsContact CE-OG1 3.3Å; M1-T3 WeakPolarHBondContact CE-OG1 3.48Å; M1-L11 WeakPolarHBondContact O-CD1 3.48Å; M1-H112 PolarHBondContact N-NE2 3.43Å; M1-H112 PolarHBondContact O-CD2 3.43Å; M1-H112 PolarHBondContact O-NE2 3.4Å; M1-L200 HydrophobicContact CE-CD1 3.87Å; M1-L200 HydrophobicContact CE-CD2 3.82Å; M1-L200 HydrophobicContact CG-CD1 4.48Å; M1-L200 HydrophobicContact SD-CD1 4.17Å; M1-L200 HydrophobicContact SD-CD2 4.17Å
2	V	67.8	Low	73.9	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.036	27%	0.269	C	S	.	.			trans	-84.9	-3.7	-171.1	-72.4	0	0	0	0	115.3	F10 L11 I115 L116 L119 F193	V2-F10 HydrophobicContact CB-CD1 4.4Å; V2-F10 HydrophobicContact CG2-CD1 4.08Å; V2-F10 HydrophobicContact CG2-CE1 3.92Å; V2-L11 WeakPolarHBondContact O-CB 3.49Å; V2-L11 WeakPolarHBondContact O-CG 3.38Å; V2-L11 PolarHBondContact O-N 3.25Å; V2-I115 HydrophobicContact CG1-CB 4.18Å; V2-I115 HydrophobicContact CG1-CG2 3.63Å; V2-L116 HydrophobicContact CB-CD2 4.1Å; V2-L116 HydrophobicContact CB-CG 4.45Å; V2-L116 HydrophobicContact CG1-CG 4.39Å; V2-L119 HydrophobicContact CG2-CD1 4.06Å; V2-F193 HydrophobicContact CB-CZ 4.46Å; V2-F193 HydrophobicContact CG1-CZ 3.84Å; V2-F193 HydrophobicContact CG2-CE1 3.8Å; V2-F193 HydrophobicContact CG2-CZ 3.77Å
3	T	70.6	Confident	74.8	Confident	23 Å²	23	52.8 Å²	52.8	14%	0.141	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-99.4	152.8	173.6	46.9	0	0	0	0	111.8	M1 N9 F10	M1-T3 VanDerWaalsContact CE-OG1 3.3Å; M1-T3 WeakPolarHBondContact CE-OG1 3.48Å; T3-N9 CarbonylContact C-O 3.42Å; T3-N9 WeakPolarHBondContact CA-O 3.37Å; T3-N9 VanDerWaalsContact CB-O 3.32Å; T3-N9 WeakPolarHBondContact CB-O 3.4Å; T3-F10 HydrophobicContact CG2-CD1 4.34Å
4	C	77.1	Confident	75.8	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	26%	0.263	C	S	.	.			trans	-81.7	127.1	-177.5	-172.4	0	0	0	0	111.5	I6 D7 L8 N9 L11 C24	C4-I6 PolarHBondContact O-N 3.09Å; C4-D7 VanDerWaalsContact CB-OD2 3.23Å; C4-D7 WeakPolarHBondContact CB-OD2 3.5Å; C4-D7 PolarHBondContact SG-OD2 3.4Å; C4-L8 VanDerWaalsContact O-CA 3.28Å; C4-L8 WeakPolarHBondContact O-CA 3.16Å; C4-L8 PolarHBondContact O-N 2.78Å; C4-N9 PolarHBondContact N-O 3.16Å; C4-L11 HydrophobicContact CB-CD2 3.84Å; C4-L11 HydrophobicContact CB-CG 4.47Å; C4-C24 WeakPolarHBondContact CB-SG 3.1Å; C4-C24 PolarHBondContact SG-N 3.33Å
5	P	71.9	Confident	76.6	Confident	47 Å²	47	47.5 Å²	47.5	31%	0.305	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.4	177.7	-17.2	27.8	0	0	0	115.3	F23 I90	P5-F23 HydrophobicContact CB-CD1 4.35Å; P5-F23 HydrophobicContact CB-CE1 3.89Å; P5-F23 HydrophobicContact CG-CD1 3.99Å; P5-F23 HydrophobicContact CG-CE1 3.72Å; P5-F23 HydrophobicContact CG-CZ 4.46Å; P5-I90 HydrophobicContact CB-CD1 3.91Å; P5-I90 HydrophobicContact CB-CG1 4.07Å; P5-I90 HydrophobicContact CG-CD1 3.5Å; P5-I90 HydrophobicContact CG-CG1 4.22Å
6	I	76.2	Confident	77.1	Confident	68 Å²	68	48.1 Å²	48.1	35%	0.349	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-38.1	-175.8	-61.2	169.6	0	0	0	112.1	C4 F23 C27 P89	C4-I6 PolarHBondContact O-N 3.09Å; I6-F23 HydrophobicContact CD1-CD1 3.52Å; I6-F23 HydrophobicContact CD1-CE1 4.03Å; I6-F23 HydrophobicContact CD1-CG 4.31Å; I6-F23 HydrophobicContact CG1-CD1 3.82Å; I6-F23 HydrophobicContact CG1-CE1 4.09Å; I6-C27 HydrophobicContact CB-CB 3.95Å; I6-C27 HydrophobicContact CD1-CB 4.04Å; I6-C27 HydrophobicContact CG2-CB 3.85Å; I6-P89 HydrophobicContact CD1-CB 4.36Å; I6-P89 HydrophobicContact CD1-CG 4.23Å; I6-P89 HydrophobicContact CG1-CB 4.46Å
7	D	81.2	Confident	77.5	Confident	47 Å²	47	45.5 Å²	45.5	25%	0.251	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-6.7	-176.1	66.7	65.8	0	0	0	114.1	C4 N9 C24 C27	C4-D7 VanDerWaalsContact CB-OD2 3.23Å; C4-D7 WeakPolarHBondContact CB-OD2 3.5Å; C4-D7 PolarHBondContact SG-OD2 3.4Å; D7-N9 PolarHBondContact O-N 3.38Å; D7-N9 VanDerWaalsContact O-N 3.12Å; D7-N9 PolarHBondContact O-ND2 3.36Å; D7-N9 VanDerWaalsContact OD1-CB 3.24Å; D7-N9 WeakPolarHBondContact OD1-CB 3.39Å; D7-N9 PolarHBondContact OD1-N 2.95Å; D7-N9 PolarHBondContact OD1-ND2 3.1Å; D7-C24 PolarHBondContact OD2-SG 3Å; D7-C27 PolarHBondContact OD2-SG 3.27Å
8	L	73.3	Confident	77.4	Confident	120 Å²	120	48.3 Å²	48.3	63%	0.628	26%	0.261	S	S	*	.			trans	64.6	-0	178.4	-50.2	179.2	0	0	0	116.5	C4	C4-L8 VanDerWaalsContact O-CA 3.28Å; C4-L8 WeakPolarHBondContact O-CA 3.16Å; C4-L8 PolarHBondContact O-N 2.78Å
9	N	71.8	Confident	77.4	Confident	87 Å²	87	47.5 Å²	47.5	47%	0.465	26%	0.259	S	S	.	.	S	Bend	trans	-82.7	176	173.2	-54	-88	0	0	0	111.3	T3 C4 D7	T3-N9 CarbonylContact C-O 3.42Å; T3-N9 WeakPolarHBondContact CA-O 3.37Å; T3-N9 VanDerWaalsContact CB-O 3.32Å; T3-N9 WeakPolarHBondContact CB-O 3.4Å; C4-N9 PolarHBondContact N-O 3.16Å; D7-N9 PolarHBondContact O-N 3.38Å; D7-N9 VanDerWaalsContact O-N 3.12Å; D7-N9 PolarHBondContact O-ND2 3.36Å; D7-N9 VanDerWaalsContact OD1-CB 3.24Å; D7-N9 WeakPolarHBondContact OD1-CB 3.39Å; D7-N9 PolarHBondContact OD1-N 2.95Å; D7-N9 PolarHBondContact OD1-ND2 3.1Å
10	F	73.7	Confident	77.2	Confident	72 Å²	72	47.7 Å²	47.7	32%	0.316	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-58.4	141.8	165.2	-73.5	-76	0	0	0	111.4	V2 T3 D12 L116 L119 F127 V128	V2-F10 HydrophobicContact CB-CD1 4.4Å; V2-F10 HydrophobicContact CG2-CD1 4.08Å; V2-F10 HydrophobicContact CG2-CE1 3.92Å; T3-F10 HydrophobicContact CG2-CD1 4.34Å; F10-D12 PolarHBondContact O-N 2.94Å; F10-L116 HydrophobicContact CB-CD2 4.03Å; F10-L116 HydrophobicContact CD1-CD2 3.78Å; F10-L116 HydrophobicContact CG-CD2 4.29Å; F10-L119 HydrophobicContact CE1-CD1 4.24Å; F10-F127 HydrophobicContact CE2-CB 4.47Å; F10-F127 HydrophobicContact CZ-CB 4.31Å; F10-V128 HydrophobicContact CD2-CG2 4.2Å; F10-V128 HydrophobicContact CE2-CG2 4.01Å
11	L	79	Confident	77.2	Confident	7 Å²	7	46.2 Å²	46.2	4%	0.037	26%	0.263	C	S	.	.			trans	-62.6	103.4	-175.3	-82.3	167.9	0	0	0	113.2	M1 V2 C4 P14 A22 F23 H112 L116	M1-L11 WeakPolarHBondContact O-CD1 3.48Å; V2-L11 WeakPolarHBondContact O-CB 3.49Å; V2-L11 WeakPolarHBondContact O-CG 3.38Å; V2-L11 PolarHBondContact O-N 3.25Å; C4-L11 HydrophobicContact CB-CD2 3.84Å; C4-L11 HydrophobicContact CB-CG 4.47Å; L11-P14 HydrophobicContact CB-CB 4.05Å; L11-P14 HydrophobicContact CB-CG 4.5Å; L11-P14 HydrophobicContact CD1-CB 4.23Å; L11-P14 HydrophobicContact CD2-CB 4.43Å; L11-P14 HydrophobicContact CG-CB 4.49Å; L11-A22 HydrophobicContact CD1-CB 4.22Å; L11-F23 VanDerWaalsContact CD2-C 3.4Å; L11-H112 HydrophobicContact CD1-CB 4.36Å; L11-L116 HydrophobicContact CB-CD1 3.99Å; L11-L116 VanDerWaalsContact O-CD1 3.28Å; L11-L116 WeakPolarHBondContact O-CD1 3.18Å
12	D	83	Confident	78.2	Confident	78 Å²	78	43.9 Å²	43.9	42%	0.417	25%	0.253	S	S	.	.	S	Bend	trans	-84.1	120.5	172.2	179.4	29.5	0	0	0	111.8	F10 C24 C25 K26	F10-D12 PolarHBondContact O-N 2.94Å; D12-C24 PolarHBondContact N-SG 2.89Å; D12-C24 VanDerWaalsContact O-CA 3.22Å; D12-C24 WeakPolarHBondContact O-CA 3.36Å; D12-C24 WeakPolarHBondContact O-CB 3.45Å; D12-C25 PolarHBondContact O-N 3.14Å; D12-K26 WeakPolarHBondContact OD2-CE 3.46Å; D12-K26 IonicContact OD2-NZ 2.65Å; D12-K26 PolarHBondContact OD2-NZ 2.98Å
13	N	85.9	Confident	79.2	Confident	74 Å²	74	43.6 Å²	43.6	40%	0.396	25%	0.252	S	S	.	.	S	Bend	trans	46	69.4	-172.4	-176.2	17.2	0	0	0	112.3	K15 C25 D104	N13-K15 PolarHBondContact O-N 3.34Å; N13-K15 WeakPolarHBondContact OD1-CE 3.34Å; N13-C25 HydrophobicContact CB-CB 4.11Å; N13-C25 WeakPolarHBondContact ND2-CB 3.45Å; N13-C25 WeakPolarHBondContact O-CB 3.28Å; N13-C25 PolarHBondContact O-N 3.01Å; N13-D104 PolarHBondContact ND2-OD1 3.35Å; N13-D104 VanDerWaalsContact ND2-OD1 3.13Å
14	P	87.8	Confident	80.1	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.3	-172.2	24.2	-32.3	0	0	0	113.4	L11 F23 S108 A109 H112 L116	L11-P14 HydrophobicContact CB-CB 4.05Å; L11-P14 HydrophobicContact CB-CG 4.5Å; L11-P14 HydrophobicContact CD1-CB 4.23Å; L11-P14 HydrophobicContact CD2-CB 4.43Å; L11-P14 HydrophobicContact CG-CB 4.49Å; P14-F23 WeakPolarHBondContact CA-O 3.49Å; P14-S108 WeakPolarHBondContact O-CA 3.37Å; P14-A109 HydrophobicContact CB-CB 4.04Å; P14-A109 PolarHBondContact O-N 3.33Å; P14-H112 HydrophobicContact CB-CB 4.48Å; P14-H112 HydrophobicContact CG-CB 4.4Å; P14-L116 HydrophobicContact CG-CD1 4.37Å
15	K	88.5	Confident	80.7	Confident	17 Å²	17	42.8 Å²	42.8	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.6	175.3	-61.1	-67.2	172.9	164.7	0	110.6	N13 A22 F23 C25 L28 A103 D104 F106 P107	N13-K15 PolarHBondContact O-N 3.34Å; N13-K15 WeakPolarHBondContact OD1-CE 3.34Å; K15-A22 VanDerWaalsContact O-CA 3.31Å; K15-A22 WeakPolarHBondContact O-CA 3.47Å; K15-F23 PolarHBondContact N-O 2.81Å; K15-F23 PolarHBondContact O-N 2.8Å; K15-C25 HydrophobicContact CG-CB 3.78Å; K15-L28 HydrophobicContact CB-CD2 4.32Å; K15-A103 WeakPolarHBondContact CD-O 3.2Å; K15-D104 WeakPolarHBondContact CE-OD1 2.91Å; K15-D104 PolarHBondContact NZ-O 3.04Å; K15-D104 IonicContact NZ-OD1 2.83Å; K15-D104 PolarHBondContact NZ-OD1 3.27Å; K15-F106 HydrophobicContact CB-CB 4.08Å; K15-F106 HydrophobicContact CD-CB 4.42Å; K15-F106 WeakPolarHBondContact CD-O 3.43Å; K15-P107 WeakPolarHBondContact CA-O 3.47Å
16	L	84.9	Confident	81.5	Confident	57 Å²	57	47.1 Å²	47.1	30%	0.298	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.4	-176.9	-165.6	72.7	0	0	0	110.5	G20 A22 P107 A109	L16-G20 VanDerWaalsContact CD1-O 3.31Å; L16-G20 WeakPolarHBondContact CD1-O 3.46Å; L16-A22 HydrophobicContact CD1-CB 4.26Å; L16-P107 PolarHBondContact N-O 3.37Å; L16-A109 HydrophobicContact CB-CB 4.12Å; L16-A109 HydrophobicContact CD1-CB 4.14Å
17	L	82.5	Confident	82.1	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	25%	0.25	C	S	.	.			trans	-80.7	157.5	171.2	-67	-175.5	0	0	0	111.3	C19 G20 H21 F23 L28 F86 C88 C95 F106	L17-C19 PolarHBondContact O-N 3.09Å; L17-G20 PolarHBondContact O-N 3.2Å; L17-H21 PolarHBondContact N-O 3.25Å; L17-F23 HydrophobicContact CD1-CD2 3.99Å; L17-F23 HydrophobicContact CD1-CE2 3.54Å; L17-F23 HydrophobicContact CG-CD2 4.16Å; L17-F23 HydrophobicContact CG-CE2 4.11Å; L17-L28 HydrophobicContact CD1-CD1 4.34Å; L17-L28 HydrophobicContact CD2-CD1 4.26Å; L17-L28 HydrophobicContact CD2-CD2 3.8Å; L17-F86 HydrophobicContact CD1-CE2 4.33Å; L17-F86 HydrophobicContact CD2-CE2 4.36Å; L17-F86 HydrophobicContact CD2-CZ 3.82Å; L17-C88 HydrophobicContact CD1-CB 4.25Å; L17-C95 HydrophobicContact CD2-CB 4.41Å; L17-F106 HydrophobicContact CD2-CD1 4.2Å; L17-F106 HydrophobicContact CD2-CD2 4.23Å; L17-F106 HydrophobicContact CD2-CE1 3.95Å; L17-F106 HydrophobicContact CD2-CE2 3.98Å; L17-F106 HydrophobicContact CD2-CG 4.35Å; L17-F106 HydrophobicContact CD2-CZ 3.84Å
18	P	77.3	Confident	82.5	Confident	96 Å²	96	42.6 Å²	42.6	62%	0.623	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.7	176	-27.1	36.4	0	0	0	115.1	G20	P18-G20 VanDerWaalsContact C-N 3.3Å
19	C	76.1	Confident	83.2	Confident	33 Å²	33	38.2 Å²	38.2	22%	0.223	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	15.8	173.9	62.3	0	0	0	0	114.3	L17 H21 C88 A93	L17-C19 PolarHBondContact O-N 3.09Å; C19-H21 VanDerWaalsContact C-N 3.26Å; C19-H21 PolarHBondContact O-CE1 3.39Å; C19-H21 PolarHBondContact O-N 3.44Å; C19-H21 PolarHBondContact O-ND1 3.37Å; C19-H21 PolarHBondContact SG-ND1 2.79Å; C19-H21 VanDerWaalsContact SG-ND1 3.37Å; C19-C88 PolarHBondContact SG-SG 3.04Å; C19-A93 HydrophobicContact CB-CB 3.88Å
20	G	73.6	Confident	83.9	Confident	51 Å²	51	40.6 Å²	40.6	53%	0.526	22%	0.222	S	C	.	.	S	Bend	trans	78.7	-8	175.3	0	0	0	0	0	116.3	L16 L17 P18	L16-G20 VanDerWaalsContact CD1-O 3.31Å; L16-G20 WeakPolarHBondContact CD1-O 3.46Å; L17-G20 PolarHBondContact O-N 3.2Å; P18-G20 VanDerWaalsContact C-N 3.3Å
21	H	78.1	Confident	84.5	Confident	16 Å²	16	40.6 Å²	40.6	7%	0.074	22%	0.22	C	C	.	.			trans	-82.4	140.4	-179	-60.3	94.7	0	0	0	112	L17 C19 F23 I90 C91 Q159	L17-H21 PolarHBondContact N-O 3.25Å; C19-H21 VanDerWaalsContact C-N 3.26Å; C19-H21 PolarHBondContact O-CE1 3.39Å; C19-H21 PolarHBondContact O-N 3.44Å; C19-H21 PolarHBondContact O-ND1 3.37Å; C19-H21 PolarHBondContact SG-ND1 2.79Å; C19-H21 VanDerWaalsContact SG-ND1 3.37Å; H21-F23 HydrophobicContact CB-CE2 3.72Å; H21-F23 HydrophobicContact CB-CZ 4.16Å; H21-I90 HydrophobicContact CB-CD1 3.93Å; H21-C91 PolarHBondContact CE1-SG 2.7Å; H21-C91 PolarHBondContact ND1-SG 2.8Å; H21-C91 VanDerWaalsContact ND1-SG 3.38Å; H21-Q159 PolarHBondContact CE1-NE2 3.39Å; H21-Q159 PolarHBondContact NE2-NE2 2.83Å; H21-Q159 VanDerWaalsContact NE2-NE2 3.2Å
22	A	83	Confident	84.7	Confident	9 Å²	9	41 Å²	41	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.8	-178	0	0	0	0	0	112.5	L11 K15 L16 A109	L11-A22 HydrophobicContact CD1-CB 4.22Å; K15-A22 VanDerWaalsContact O-CA 3.31Å; K15-A22 WeakPolarHBondContact O-CA 3.47Å; L16-A22 HydrophobicContact CD1-CB 4.26Å; A22-A109 HydrophobicContact CB-CB 3.98Å
23	F	87.5	Confident	84.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.6	-177.6	-60.2	-89.2	0	0	0	111.4	P5 I6 L11 P14 K15 L17 H21 C25 L28 P89 I90	P5-F23 HydrophobicContact CB-CD1 4.35Å; P5-F23 HydrophobicContact CB-CE1 3.89Å; P5-F23 HydrophobicContact CG-CD1 3.99Å; P5-F23 HydrophobicContact CG-CE1 3.72Å; P5-F23 HydrophobicContact CG-CZ 4.46Å; I6-F23 HydrophobicContact CD1-CD1 3.52Å; I6-F23 HydrophobicContact CD1-CE1 4.03Å; I6-F23 HydrophobicContact CD1-CG 4.31Å; I6-F23 HydrophobicContact CG1-CD1 3.82Å; I6-F23 HydrophobicContact CG1-CE1 4.09Å; L11-F23 VanDerWaalsContact CD2-C 3.4Å; P14-F23 WeakPolarHBondContact CA-O 3.49Å; K15-F23 PolarHBondContact N-O 2.81Å; K15-F23 PolarHBondContact O-N 2.8Å; L17-F23 HydrophobicContact CD1-CD2 3.99Å; L17-F23 HydrophobicContact CD1-CE2 3.54Å; L17-F23 HydrophobicContact CG-CD2 4.16Å; L17-F23 HydrophobicContact CG-CE2 4.11Å; H21-F23 HydrophobicContact CB-CE2 3.72Å; H21-F23 HydrophobicContact CB-CZ 4.16Å; F23-C25 PolarHBondContact O-N 3.03Å; F23-L28 HydrophobicContact CB-CB 4.28Å; F23-L28 HydrophobicContact CD2-CD1 4.28Å; F23-L28 HydrophobicContact CG-CD1 4.41Å; F23-P89 HydrophobicContact CE1-CB 3.7Å; F23-P89 HydrophobicContact CE1-CG 3.92Å; F23-P89 HydrophobicContact CZ-CB 3.84Å; F23-P89 HydrophobicContact CZ-CG 3.88Å; F23-I90 HydrophobicContact CE1-CD1 4.02Å; F23-I90 HydrophobicContact CE1-CG1 4.22Å; F23-I90 HydrophobicContact CZ-CD1 3.66Å; F23-I90 HydrophobicContact CZ-CG1 3.92Å
24	C	89	Confident	84.1	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.6	166.8	-65.2	0	0	0	0	109.7	C4 D7 D12 K26 C27 L28	C4-C24 WeakPolarHBondContact CB-SG 3.1Å; C4-C24 PolarHBondContact SG-N 3.33Å; D7-C24 PolarHBondContact OD2-SG 3Å; D12-C24 PolarHBondContact N-SG 2.89Å; D12-C24 VanDerWaalsContact O-CA 3.22Å; D12-C24 WeakPolarHBondContact O-CA 3.36Å; D12-C24 WeakPolarHBondContact O-CB 3.45Å; C24-K26 VanDerWaalsContact C-N 3.26Å; C24-K26 PolarHBondContact O-N 2.94Å; C24-C27 HydrophobicContact CB-CB 4.02Å; C24-C27 PolarHBondContact O-N 3.45Å; C24-L28 PolarHBondContact O-N 3.37Å
25	C	89.6	Confident	83.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.02	26%	0.259	C	S	.	.	H	α-helix	trans	-52.7	-45.2	178.7	-171.9	0	0	0	0	112.1	D12 N13 K15 F23 C27 L28 N29 D104	D12-C25 PolarHBondContact O-N 3.14Å; N13-C25 HydrophobicContact CB-CB 4.11Å; N13-C25 WeakPolarHBondContact ND2-CB 3.45Å; N13-C25 WeakPolarHBondContact O-CB 3.28Å; N13-C25 PolarHBondContact O-N 3.01Å; K15-C25 HydrophobicContact CG-CB 3.78Å; F23-C25 PolarHBondContact O-N 3.03Å; C25-C27 VanDerWaalsContact C-N 3.27Å; C25-C27 PolarHBondContact O-N 2.98Å; C25-L28 PolarHBondContact O-N 3.46Å; C25-N29 PolarHBondContact O-N 3.33Å; C25-D104 PolarHBondContact SG-OD1 3.44Å; C25-D104 VanDerWaalsContact SG-OD1 3.35Å; C25-D104 PolarHBondContact SG-OD2 3.17Å; C25-D104 VanDerWaalsContact SG-OD2 3.35Å
26	K	89.7	Confident	81.6	Confident	138 Å²	138	55.2 Å²	55.2	60%	0.6	29%	0.292	S	S	*	.	H	α-helix	trans	-56.6	-37.1	176.9	-66.9	168.9	179.1	164.8	0	113.4	D12 C24 K30	D12-K26 WeakPolarHBondContact OD2-CE 3.46Å; D12-K26 IonicContact OD2-NZ 2.65Å; D12-K26 PolarHBondContact OD2-NZ 2.98Å; C24-K26 VanDerWaalsContact C-N 3.26Å; C24-K26 PolarHBondContact O-N 2.94Å; K26-K30 WeakPolarHBondContact O-CG 3.48Å; K26-K30 PolarHBondContact O-N 2.98Å; K26-K30 VanDerWaalsContact O-N 3.17Å
27	C	89.5	Confident	80	Confident	19 Å²	19	57.7 Å²	57.7	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-87	-29.6	-175.5	-64.1	0	0	0	0	111.9	I6 D7 C24 C25 Y31	I6-C27 HydrophobicContact CB-CB 3.95Å; I6-C27 HydrophobicContact CD1-CB 4.04Å; I6-C27 HydrophobicContact CG2-CB 3.85Å; D7-C27 PolarHBondContact OD2-SG 3.27Å; C24-C27 HydrophobicContact CB-CB 4.02Å; C24-C27 PolarHBondContact O-N 3.45Å; C25-C27 VanDerWaalsContact C-N 3.27Å; C25-C27 PolarHBondContact O-N 2.98Å; C27-Y31 WeakPolarHBondContact O-CB 3.38Å; C27-Y31 PolarHBondContact O-N 3.39Å
28	L	88	Confident	78.3	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.7	-38.4	169	-165.8	64.8	0	0	0	111.2	K15 L17 F23 C24 C25 Y31 M32 F86 A103 F106	K15-L28 HydrophobicContact CB-CD2 4.32Å; L17-L28 HydrophobicContact CD1-CD1 4.34Å; L17-L28 HydrophobicContact CD2-CD1 4.26Å; L17-L28 HydrophobicContact CD2-CD2 3.8Å; F23-L28 HydrophobicContact CB-CB 4.28Å; F23-L28 HydrophobicContact CD2-CD1 4.28Å; F23-L28 HydrophobicContact CG-CD1 4.41Å; C24-L28 PolarHBondContact O-N 3.37Å; C25-L28 PolarHBondContact O-N 3.46Å; L28-Y31 WeakPolarHBondContact O-CB 3.34Å; L28-Y31 PolarHBondContact O-N 3.46Å; L28-M32 HydrophobicContact CG-SD 4.16Å; L28-M32 VanDerWaalsContact O-CG 3.32Å; L28-M32 WeakPolarHBondContact O-CG 3.29Å; L28-M32 PolarHBondContact O-N 3.31Å; L28-F86 HydrophobicContact CD1-CE2 4.1Å; L28-F86 HydrophobicContact CD1-CZ 4.36Å; L28-A103 HydrophobicContact CB-CB 3.82Å; L28-A103 HydrophobicContact CD2-CB 3.87Å; L28-A103 HydrophobicContact CG-CB 3.99Å; L28-F106 HydrophobicContact CD2-CD2 3.65Å; L28-F106 HydrophobicContact CD2-CE2 3.91Å
29	N	88.6	Confident	76.2	Confident	28 Å²	28	60.2 Å²	60.2	15%	0.15	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-56.1	168.3	-85.5	-2.7	0	0	0	111.7	C25 Y31 M32 E33 N102 A103	C25-N29 PolarHBondContact O-N 3.33Å; N29-Y31 PolarHBondContact O-N 2.87Å; N29-Y31 VanDerWaalsContact O-N 3.07Å; N29-M32 PolarHBondContact O-N 3.16Å; N29-E33 WeakPolarHBondContact O-CB 3.19Å; N29-E33 VanDerWaalsContact O-CG 3.32Å; N29-E33 WeakPolarHBondContact O-CG 3.44Å; N29-E33 PolarHBondContact O-N 3.31Å; N29-N102 PolarHBondContact ND2-OD1 2.79Å; N29-N102 PolarHBondContact OD1-OD1 2.72Å; N29-A103 WeakPolarHBondContact OD1-CB 3.37Å; N29-A103 PolarHBondContact OD1-N 3.45Å
30	K	86.8	Confident	74.3	Confident	137 Å²	137	64.5 Å²	64.5	60%	0.596	36%	0.356	S	S	*	.	H	α-helix	trans	-58.5	-21.8	176.7	-76.3	-178	174.7	-175.7	0	114.6	K26 E33 K34	K26-K30 WeakPolarHBondContact O-CG 3.48Å; K26-K30 PolarHBondContact O-N 2.98Å; K26-K30 VanDerWaalsContact O-N 3.17Å; K30-E33 WeakPolarHBondContact CA-OE2 3.2Å; K30-K34 WeakPolarHBondContact O-CD 3.21Å; K30-K34 WeakPolarHBondContact O-CG 3.43Å
31	Y	86.7	Confident	72.3	Confident	72 Å²	72	68.6 Å²	68.6	28%	0.282	37%	0.371	S	S	.	.	H	α-helix	trans	-79.9	-44.7	172.6	-170.8	-93.9	0	0	0	111.3	C27 L28 N29 K34 F86 P87 P89	C27-Y31 WeakPolarHBondContact O-CB 3.38Å; C27-Y31 PolarHBondContact O-N 3.39Å; L28-Y31 WeakPolarHBondContact O-CB 3.34Å; L28-Y31 PolarHBondContact O-N 3.46Å; N29-Y31 PolarHBondContact O-N 2.87Å; N29-Y31 VanDerWaalsContact O-N 3.07Å; Y31-K34 PolarHBondContact O-N 3.48Å; Y31-F86 HydrophobicContact CD1-CD2 4.1Å; Y31-F86 HydrophobicContact CD1-CE2 4.43Å; Y31-F86 AromaticContact CE1-CD2 3.97Å; Y31-F86 HydrophobicContact CE1-CD2 3.97Å; Y31-P87 WeakPolarHBondContact CE1-O 3.36Å; Y31-P87 PolarHBondContact OH-O 3.18Å; Y31-P89 HydrophobicContact CD1-CG 3.81Å; Y31-P89 HydrophobicContact CD2-CB 4.32Å; Y31-P89 HydrophobicContact CD2-CG 3.92Å; Y31-P89 HydrophobicContact CE1-CG 3.84Å; Y31-P89 HydrophobicContact CE2-CB 4.11Å; Y31-P89 HydrophobicContact CE2-CG 3.95Å; Y31-P89 HydrophobicContact CG-CG 3.86Å
32	M	83.6	Confident	70	Confident	16 Å²	16	75.4 Å²	75.4	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-67.9	-33.7	178.1	-68.6	166.3	60.4	0	0	112.9	L28 N29 K34 L35 F86 I97 R101 A103 F106	L28-M32 HydrophobicContact CG-SD 4.16Å; L28-M32 VanDerWaalsContact O-CG 3.32Å; L28-M32 WeakPolarHBondContact O-CG 3.29Å; L28-M32 PolarHBondContact O-N 3.31Å; N29-M32 PolarHBondContact O-N 3.16Å; M32-K34 PolarHBondContact O-N 3.46Å; M32-L35 HydrophobicContact CB-CD1 4.37Å; M32-L35 HydrophobicContact CG-CD1 4.49Å; M32-L35 WeakPolarHBondContact O-CB 3.48Å; M32-L35 WeakPolarHBondContact O-CG 3.47Å; M32-L35 PolarHBondContact O-N 2.84Å; M32-F86 HydrophobicContact CG-CE1 4.43Å; M32-F86 HydrophobicContact CG-CE2 4.44Å; M32-F86 HydrophobicContact CG-CZ 4.29Å; M32-F86 HydrophobicContact SD-CE1 4.4Å; M32-F86 HydrophobicContact SD-CZ 4.24Å; M32-I97 HydrophobicContact CE-CG2 4.12Å; M32-R101 WeakPolarHBondContact CE-O 3.41Å; M32-A103 HydrophobicContact SD-CB 4.4Å; M32-F106 HydrophobicContact SD-CE2 4.11Å
33	E	80.4	Confident	67.6	Low	142 Å²	142	79.7 Å²	79.7	66%	0.664	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.4	173.8	-74.5	165.7	-178.6	0	0	113.4	N29 K30	N29-E33 WeakPolarHBondContact O-CB 3.19Å; N29-E33 VanDerWaalsContact O-CG 3.32Å; N29-E33 WeakPolarHBondContact O-CG 3.44Å; N29-E33 PolarHBondContact O-N 3.31Å; K30-E33 WeakPolarHBondContact CA-OE2 3.2Å
34	K	74.6	Confident	64.9	Low	175 Å²	175	90.7 Å²	90.7	76%	0.761	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.4	179	-70.6	178.1	179.2	-170.9	0	113.8	K30 Y31 M32	K30-K34 WeakPolarHBondContact O-CD 3.21Å; K30-K34 WeakPolarHBondContact O-CG 3.43Å; Y31-K34 PolarHBondContact O-N 3.48Å; M32-K34 PolarHBondContact O-N 3.46Å
35	L	68	Low	62.3	Low	43 Å²	43	97.5 Å²	97.5	23%	0.225	52%	0.522	C	S	.	.	S	Bend	trans	-76.7	141.2	176.6	-59	170.5	0	0	0	109.6	M32 F86 I97	M32-L35 HydrophobicContact CB-CD1 4.37Å; M32-L35 HydrophobicContact CG-CD1 4.49Å; M32-L35 WeakPolarHBondContact O-CB 3.48Å; M32-L35 WeakPolarHBondContact O-CG 3.47Å; M32-L35 PolarHBondContact O-N 2.84Å; L35-F86 HydrophobicContact CD1-CB 3.44Å; L35-F86 VanDerWaalsContact CD1-CB 3.44Å; L35-F86 HydrophobicContact CD1-CG 4.12Å; L35-F86 HydrophobicContact CD2-CB 4.09Å; L35-F86 HydrophobicContact CG-CB 4.43Å; L35-I97 HydrophobicContact CD1-CD1 3.73Å; L35-I97 HydrophobicContact CD1-CG1 4.41Å
36	P	55.7	Low	59.5	Low	116 Å²	116	104 Å²	104	75%	0.753	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-59.8	136.6	179	24.8	-33.8	0	0	0	110.5	S38	P36-S38 PolarHBondContact O-N 3.16Å
37	P	52.1	Low	57	Low	109 Å²	109	105 Å²	105	71%	0.708	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-64.3	127.2	177.9	26.5	-33.4	0	0	0	109.9
38	S	45.8	Very low	54.6	Low	53 Å²	53	111 Å²	111	37%	0.371	61%	0.608	S	S	.	*			trans	-44.5	130.2	169.9	52.5	0	0	0	0	111.4	P36 R101	P36-S38 PolarHBondContact O-N 3.16Å; S38-R101 PolarHBondContact OG-NH2 3.48Å
39	P	34.7	Very low	52	Low	100 Å²	100	115.6 Å²	115.6	65%	0.649	65%	0.646	S	S	*	*			trans	-61.1	144.2	-175	25.3	-34.6	0	0	0	111.5	T41	P39-T41 PolarHBondContact O-N 2.8Å
40	P	34.7	Very low	49.7	Very low	123 Å²	123	119.8 Å²	119.8	80%	0.799	68%	0.677	S	S	*	*			trans	-69.3	114.6	-176.6	27.5	-33.8	0	0	0	110.9	N42	P40-N42 VanDerWaalsContact C-N 3.26Å; P40-N42 PolarHBondContact O-N 3.25Å
41	T	32.2	Very low	47.3	Very low	137 Å²	137	119.8 Å²	119.8	84%	0.84	68%	0.684	S	S	*	*			trans	-72.7	70.2	-177.9	-38.7	0	0	0	0	112.3	P39	P39-T41 PolarHBondContact O-N 2.8Å
42	N	30.5	Very low	44.9	Very low	160 Å²	160	122.6 Å²	122.6	86%	0.856	70%	0.704	S	S	*	*			trans	-153.8	68.9	178.8	-100.2	-35.6	0	0	0	113.1	P40	P40-N42 VanDerWaalsContact C-N 3.26Å; P40-N42 PolarHBondContact O-N 3.25Å
43	A	32.2	Very low	42.7	Very low	98 Å²	98	129.1 Å²	129.1	81%	0.81	74%	0.739	S	S	*	*			trans	-151.7	128.2	166.2	0	0	0	0	0	112.7
44	R	30.5	Very low	40.8	Very low	232 Å²	232	126.2 Å²	126.2	88%	0.875	73%	0.734	S	S	*	*			trans	40.4	119.2	161.4	-76.5	-178.6	169.5	133.6	-1.6	119.3
45	N	33.6	Very low	39.3	Very low	147 Å²	147	125.6 Å²	125.6	79%	0.786	73%	0.733	S	S	*	*				-166.3	112.3	96.5	-95.9	-24.9	0	0	0	111.8
46	T	32	Very low	38	Very low	138 Å²	138	129.1 Å²	129.1	85%	0.847	75%	0.752	S	S	*	*			trans	-137.4	83.1	176.6	-36.5	0	0	0	0	109.6
47	I	36.1	Very low	37.3	Very low	161 Å²	161	129 Å²	129	83%	0.826	75%	0.745	S	S	*	*			trans	-136.7	94	170	-54.5	179.9	0	0	0	108.9
48	T	40	Very low	36.6	Very low	145 Å²	145	130.4 Å²	130.4	89%	0.89	75%	0.747	S	S	*	*			trans	-151.9	108.7	158.7	18.5	0	0	0	0	107.7
49	A	34.2	Very low	36.3	Very low	96 Å²	96	132.1 Å²	132.1	79%	0.793	76%	0.759	S	S	*	*			trans	-86.3	136.8	173	0	0	0	0	0	110.1
50	S	39.4	Very low	36.5	Very low	116 Å²	116	137.4 Å²	137.4	81%	0.811	77%	0.766	S	S	*	*			trans	175.1	102.3	139.8	-80.7	0	0	0	0	112.6
51	N	36.7	Very low	36.7	Very low	137 Å²	137	137.6 Å²	137.6	73%	0.733	76%	0.761	S	S	*	*			trans	37.6	108.4	141.3	-63.3	-5.4	0	0	0	121.9
52	N	36.9	Very low	37	Very low	131 Å²	131	137.1 Å²	137.1	70%	0.701	75%	0.753	S	S	*	*				79.2	136.7	115	-57.7	-12.6	0	0	0	122.4
53	N	36.7	Very low	37.6	Very low	152 Å²	152	136.6 Å²	136.6	81%	0.813	75%	0.745	S	S	*	*			trans	72.4	145.7	153.4	-60	-13	0	0	0	119
54	S	40.2	Very low	38	Very low	81 Å²	81	137.6 Å²	137.6	57%	0.566	74%	0.737	S	S	*	*			cis	-168.5	157.3	-29.8	-163.2	0	0	0	0	109.1
55	H	43.6	Very low	38.2	Very low	162 Å²	162	133.3 Å²	133.3	75%	0.75	73%	0.731	S	S	*	*			trans	64.6	149.5	156.4	-69.7	-30	0	0	0	119
56	N	41	Very low	38.2	Very low	117 Å²	117	132.6 Å²	132.6	63%	0.626	73%	0.727	S	S	*	*			cis	-161.8	167.8	-23.2	-135.3	-2.4	0	0	0	111.6
57	N	41.1	Very low	38.2	Very low	113 Å²	113	131.2 Å²	131.2	60%	0.604	72%	0.719	S	S	*	*			trans	65.2	118.7	148.6	-65.9	-23.8	0	0	0	121.9
58	N	37.6	Very low	38	Very low	140 Å²	140	130.6 Å²	130.6	75%	0.749	72%	0.717	S	S	*	*				57.4	147.6	115.6	-52.3	-29.1	0	0	0	120.6
59	S	38.4	Very low	37.5	Very low	88 Å²	88	130.6 Å²	130.6	62%	0.615	72%	0.717	S	S	*	*			cis	-164.3	157.6	15.5	-140.7	0	0	0	0	114.3
60	R	38.3	Very low	37.2	Very low	211 Å²	211	129.5 Å²	129.5	80%	0.796	72%	0.715	S	S	*	*			trans	65.1	117.9	142.2	-76.8	168	178.5	172.8	0.7	123.1
61	N	39.7	Very low	36.6	Very low	128 Å²	128	131.5 Å²	131.5	68%	0.684	72%	0.717	S	S	*	*				88.7	110	118.3	-67.3	13.5	0	0	0	122.9
62	N	38.7	Very low	36.3	Very low	126 Å²	126	132 Å²	132	67%	0.674	72%	0.719	S	S	*	*				80.7	125	120.3	-76.8	12.8	0	0	0	124.2
63	H	42.7	Very low	36	Very low	149 Å²	149	134.6 Å²	134.6	69%	0.69	73%	0.726	S	S	*	*			trans	95.1	117.5	130.4	-83.8	-52.9	0	0	0	122.1
64	N	40.4	Very low	35.6	Very low	120 Å²	120	133.4 Å²	133.4	64%	0.642	72%	0.72	S	S	*	*			trans	85.6	115.3	138	-61.7	-9.7	0	0	0	119.5
65	N	35.9	Very low	35.1	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	74%	0.735	S	S	*	*				38.5	136.3	112.6	-47	-1.9	0	0	0	117.2
66	N	33.6	Very low	34.5	Very low	133 Å²	133	141.3 Å²	141.3	71%	0.711	74%	0.739	S	S	*	*			cis	-165.1	153	31.5	-150.8	19.6	0	0	0	114.6
67	T	31.6	Very low	33.8	Very low	108 Å²	108	143.8 Å²	143.8	66%	0.663	75%	0.752	S	S	*	*			trans	62.9	154.9	148.6	41.4	0	0	0	0	122.9
68	N	31.3	Very low	33.2	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	76%	0.755	S	S	*	*			trans	76.7	64.5	161	-63.4	0.8	0	0	0	118.9
69	T	29.4	Very low	32.7	Very low	145 Å²	145	144.5 Å²	144.5	89%	0.89	76%	0.761	S	S	*	*			trans	-29.2	142.3	142	50.6	0	0	0	0	115.3
70	G	27.8	Very low	32.2	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	77%	0.77	S	S	*	*			trans	-173.7	1.7	173.8	0	0	0	0	0	121.2
71	N	27.8	Very low	31.9	Very low	159 Å²	159	143 Å²	143	85%	0.85	77%	0.771	S	S	*	*			trans	-164.1	173.2	169.9	-108.8	-34.1	0	0	0	114.9
72	L	29.7	Very low	31.7	Very low	148 Å²	148	145.6 Å²	145.6	78%	0.775	78%	0.78	S	S	*	*			trans	-59.9	146.4	-173.5	-58.3	71.4	0	0	0	114.3
73	Q	29.5	Very low	32.4	Very low	184 Å²	184	148.5 Å²	148.5	86%	0.86	79%	0.786	S	S	*	*				-171.4	168.5	112.6	-106.1	172.9	-0.3	0	0	114.7
74	D	28.6	Very low	33.6	Very low	128 Å²	128	144.1 Å²	144.1	68%	0.684	77%	0.77	S	S	*	*			trans	-59	146.7	-173	-63.9	-96.1	0	0	0	116.4
75	H	30	Very low	35.4	Very low	190 Å²	190	141.2 Å²	141.2	88%	0.88	76%	0.759	S	S	*	*			trans	-126	103.3	142.5	-94.3	-58.4	0	0	0	111.4	N77	H75-N77 PolarHBondContact O-N 3.27Å
76	R	30.4	Very low	37.7	Very low	219 Å²	219	134.6 Å²	134.6	83%	0.826	72%	0.723	S	S	*	*			trans	-71.1	119.3	160.6	-69.8	176.3	173.4	161.5	-0.8	109.4
77	N	27.5	Very low	40	Very low	168 Å²	168	130.5 Å²	130.5	90%	0.898	70%	0.704	S	S	*	*			trans	-169.8	155.8	152.6	-100.3	-31.3	0	0	0	111.1	H75	H75-N77 PolarHBondContact O-N 3.27Å
78	G	28.2	Very low	42.3	Very low	66 Å²	66	125.4 Å²	125.4	68%	0.68	67%	0.673	S	S	*	*			trans	84.9	124.4	-169.2	0	0	0	0	0	111.5
79	K	26.4	Very low	44.4	Very low	202 Å²	202	119.2 Å²	119.2	88%	0.878	64%	0.641	S	S	*	*			cis	55.2	119.8	21.1	-82.2	-173.6	174.6	-176.8	0	113.7
80	S	27.7	Very low	46.3	Very low	114 Å²	114	114 Å²	114	80%	0.797	61%	0.607	S	S	*	*			trans	45.3	101.3	168.7	56.3	0	0	0	0	117.3
81	N	32.5	Very low	48.4	Very low	153 Å²	153	112.2 Å²	112.2	82%	0.818	58%	0.583	S	S	*	*			trans	-156.4	98.7	151.8	-105.5	-44.6	0	0	0	109.2	K83	N81-K83 VanDerWaalsContact C-N 3.35Å; N81-K83 PolarHBondContact O-N 3.04Å
82	E	37.1	Very low	50.9	Low	184 Å²	184	112.1 Å²	112.1	86%	0.86	57%	0.571	S	S	*	*			trans	-68.1	92	171.1	-68.1	177.4	115.7	0	0	109.1	T84	E82-T84 VanDerWaalsContact C-N 3.33Å; E82-T84 PolarHBondContact O-N 3.29Å
83	K	51.7	Low	53	Low	187 Å²	187	107.1 Å²	107.1	81%	0.813	55%	0.551	S	S	*	*			trans	-69.3	93.6	173.6	-76.1	-175.2	176	178.6	0	109.3	N81 S85	N81-K83 VanDerWaalsContact C-N 3.35Å; N81-K83 PolarHBondContact O-N 3.04Å; K83-S85 PolarHBondContact O-N 3.23Å
84	T	68.5	Low	55.5	Low	56 Å²	56	104.7 Å²	104.7	34%	0.344	54%	0.543	S	S	.	.			trans	-43.5	125.6	176.1	54.2	0	0	0	0	111	E82 I97	E82-T84 VanDerWaalsContact C-N 3.33Å; E82-T84 PolarHBondContact O-N 3.29Å; T84-I97 VanDerWaalsContact O-CB 3.29Å; T84-I97 WeakPolarHBondContact O-CB 3.39Å; T84-I97 WeakPolarHBondContact O-CG1 3.44Å; T84-I97 PolarHBondContact O-N 2.86Å
85	S	78.5	Confident	57.9	Low	60 Å²	60	98.6 Å²	98.6	42%	0.42	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	164.7	178.2	63	0	0	0	0	110.1	K83 C95	K83-S85 PolarHBondContact O-N 3.23Å; S85-C95 CarbonylContact C-O 3.48Å; S85-C95 WeakPolarHBondContact CA-O 3.19Å; S85-C95 VanDerWaalsContact CB-O 3.29Å; S85-C95 WeakPolarHBondContact CB-O 3.27Å
86	F	83.1	Confident	60.4	Low	1 Å²	1	93 Å²	93	0%	0.004	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	146.2	-178.9	70.3	-81.7	0	0	0	111.5	L17 L28 Y31 M32 L35 C95 I97 F106	L17-F86 HydrophobicContact CD1-CE2 4.33Å; L17-F86 HydrophobicContact CD2-CE2 4.36Å; L17-F86 HydrophobicContact CD2-CZ 3.82Å; L28-F86 HydrophobicContact CD1-CE2 4.1Å; L28-F86 HydrophobicContact CD1-CZ 4.36Å; Y31-F86 HydrophobicContact CD1-CD2 4.1Å; Y31-F86 HydrophobicContact CD1-CE2 4.43Å; Y31-F86 AromaticContact CE1-CD2 3.97Å; Y31-F86 HydrophobicContact CE1-CD2 3.97Å; M32-F86 HydrophobicContact CG-CE1 4.43Å; M32-F86 HydrophobicContact CG-CE2 4.44Å; M32-F86 HydrophobicContact CG-CZ 4.29Å; M32-F86 HydrophobicContact SD-CE1 4.4Å; M32-F86 HydrophobicContact SD-CZ 4.24Å; L35-F86 HydrophobicContact CD1-CB 3.44Å; L35-F86 VanDerWaalsContact CD1-CB 3.44Å; L35-F86 HydrophobicContact CD1-CG 4.12Å; L35-F86 HydrophobicContact CD2-CB 4.09Å; L35-F86 HydrophobicContact CG-CB 4.43Å; F86-C95 HydrophobicContact CD1-CB 4Å; F86-C95 WeakPolarHBondContact CD1-O 3.09Å; F86-C95 HydrophobicContact CD2-CB 4.45Å; F86-C95 HydrophobicContact CE1-CB 3.61Å; F86-C95 HydrophobicContact CE2-CB 4.1Å; F86-C95 HydrophobicContact CG-CB 4.43Å; F86-C95 HydrophobicContact CZ-CB 3.68Å; F86-C95 PolarHBondContact N-O 3.2Å; F86-C95 PolarHBondContact O-N 3.01Å; F86-I97 HydrophobicContact CB-CG1 4.4Å; F86-I97 HydrophobicContact CD1-CG1 3.64Å; F86-I97 HydrophobicContact CE1-CG1 4.39Å; F86-I97 HydrophobicContact CG-CG1 4.45Å; F86-F106 HydrophobicContact CE1-CE2 4.32Å; F86-F106 AromaticContact CE1-CZ 3.86Å; F86-F106 HydrophobicContact CE1-CZ 3.86Å; F86-F106 HydrophobicContact CZ-CE2 4.11Å; F86-F106 AromaticContact CZ-CZ 3.9Å; F86-F106 HydrophobicContact CZ-CZ 3.9Å
87	P	83.5	Confident	62.8	Low	47 Å²	47	84.2 Å²	84.2	31%	0.305	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137	175.7	29	-33.8	0	0	0	110.7	Y31 R92	Y31-P87 WeakPolarHBondContact CE1-O 3.36Å; Y31-P87 PolarHBondContact OH-O 3.18Å; P87-R92 VanDerWaalsContact CA-O 3.3Å; P87-R92 WeakPolarHBondContact CA-O 3.43Å; P87-R92 HydrophobicContact CB-CB 4.31Å; P87-R92 WeakPolarHBondContact CB-O 3.26Å
88	C	78.4	Confident	65.1	Low	1 Å²	1	77.4 Å²	77.4	1%	0.007	43%	0.425	C	S	.	.			trans	-55.8	132	170.7	175	0	0	0	0	111.2	L17 C19 I90 R92 A93	L17-C88 HydrophobicContact CD1-CB 4.25Å; C19-C88 PolarHBondContact SG-SG 3.04Å; C88-I90 CarbonylContact O-C 3.5Å; C88-I90 PolarHBondContact O-N 2.8Å; C88-I90 PolarHBondContact SG-N 2.83Å; C88-R92 VanDerWaalsContact O-CA 3.3Å; C88-R92 WeakPolarHBondContact O-CA 3.31Å; C88-R92 PolarHBondContact O-N 2.66Å; C88-A93 WeakPolarHBondContact CB-O 3.46Å; C88-A93 PolarHBondContact N-O 2.89Å
89	P	75.7	Confident	67.1	Low	19 Å²	19	79.7 Å²	79.7	12%	0.123	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-7.3	178.4	-22.9	31	0	0	0	115.9	I6 F23 Y31 R154	I6-P89 HydrophobicContact CD1-CB 4.36Å; I6-P89 HydrophobicContact CD1-CG 4.23Å; I6-P89 HydrophobicContact CG1-CB 4.46Å; F23-P89 HydrophobicContact CE1-CB 3.7Å; F23-P89 HydrophobicContact CE1-CG 3.92Å; F23-P89 HydrophobicContact CZ-CB 3.84Å; F23-P89 HydrophobicContact CZ-CG 3.88Å; Y31-P89 HydrophobicContact CD1-CG 3.81Å; Y31-P89 HydrophobicContact CD2-CB 4.32Å; Y31-P89 HydrophobicContact CD2-CG 3.92Å; Y31-P89 HydrophobicContact CE1-CG 3.84Å; Y31-P89 HydrophobicContact CE2-CB 4.11Å; Y31-P89 HydrophobicContact CE2-CG 3.95Å; Y31-P89 HydrophobicContact CG-CG 3.86Å; P89-R154 PolarHBondContact O-NH2 2.72Å
90	I	69.1	Low	69.4	Low	36 Å²	36	74.2 Å²	74.2	19%	0.185	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-84	170.2	-63.8	158.5	0	0	0	109.1	P5 H21 F23 C88 R92 R154 S157	P5-I90 HydrophobicContact CB-CD1 3.91Å; P5-I90 HydrophobicContact CB-CG1 4.07Å; P5-I90 HydrophobicContact CG-CD1 3.5Å; P5-I90 HydrophobicContact CG-CG1 4.22Å; H21-I90 HydrophobicContact CB-CD1 3.93Å; F23-I90 HydrophobicContact CE1-CD1 4.02Å; F23-I90 HydrophobicContact CE1-CG1 4.22Å; F23-I90 HydrophobicContact CZ-CD1 3.66Å; F23-I90 HydrophobicContact CZ-CG1 3.92Å; C88-I90 CarbonylContact O-C 3.5Å; C88-I90 PolarHBondContact O-N 2.8Å; C88-I90 PolarHBondContact SG-N 2.83Å; I90-R92 VanDerWaalsContact C-N 3.27Å; I90-R92 PolarHBondContact O-N 2.72Å; I90-R154 PolarHBondContact O-NH2 2.89Å; I90-S157 WeakPolarHBondContact CD1-OG 3.32Å; I90-S157 WeakPolarHBondContact CG1-OG 3.29Å; I90-S157 WeakPolarHBondContact CG2-OG 3.13Å
91	C	73.1	Confident	71.6	Confident	34 Å²	34	75.4 Å²	75.4	23%	0.23	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	6.5	-168.1	64.2	0	0	0	0	115.4	H21 A93	H21-C91 PolarHBondContact CE1-SG 2.7Å; H21-C91 PolarHBondContact ND1-SG 2.8Å; H21-C91 VanDerWaalsContact ND1-SG 3.38Å; C91-A93 PolarHBondContact O-N 2.82Å
92	R	80.2	Confident	73.9	Confident	158 Å²	158	71.7 Å²	71.7	60%	0.596	39%	0.388	S	S	*	.			trans	57.5	-5.1	-176.2	-63.1	178.2	173	155.6	-2.8	116.9	P87 C88 I90 L94	P87-R92 VanDerWaalsContact CA-O 3.3Å; P87-R92 WeakPolarHBondContact CA-O 3.43Å; P87-R92 HydrophobicContact CB-CB 4.31Å; P87-R92 WeakPolarHBondContact CB-O 3.26Å; C88-R92 VanDerWaalsContact O-CA 3.3Å; C88-R92 WeakPolarHBondContact O-CA 3.31Å; C88-R92 PolarHBondContact O-N 2.66Å; I90-R92 VanDerWaalsContact C-N 3.27Å; I90-R92 PolarHBondContact O-N 2.72Å; R92-L94 PolarHBondContact O-N 3.15Å
93	A	73.4	Confident	76.1	Confident	43 Å²	43	63 Å²	63	36%	0.355	35%	0.347	S	S	.	.			trans	-51.1	132	177.4	0	0	0	0	0	112.3	C19 C88 C91 C95	C19-A93 HydrophobicContact CB-CB 3.88Å; C88-A93 WeakPolarHBondContact CB-O 3.46Å; C88-A93 PolarHBondContact N-O 2.89Å; C91-A93 PolarHBondContact O-N 2.82Å; A93-C95 PolarHBondContact O-N 3.33Å; A93-C95 PolarHBondContact O-SG 3.25Å; A93-C95 VanDerWaalsContact O-SG 3.37Å
94	L	81.1	Confident	77.6	Confident	132 Å²	132	58.1 Å²	58.1	69%	0.691	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	112.9	-174.5	-66	176.4	0	0	0	111.3	R92	R92-L94 PolarHBondContact O-N 3.15Å
95	C	80.2	Confident	78.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.7	176.1	-62.5	0	0	0	0	109.2	L17 S85 F86 A93 I97	L17-C95 HydrophobicContact CD2-CB 4.41Å; S85-C95 CarbonylContact C-O 3.48Å; S85-C95 WeakPolarHBondContact CA-O 3.19Å; S85-C95 VanDerWaalsContact CB-O 3.29Å; S85-C95 WeakPolarHBondContact CB-O 3.27Å; F86-C95 HydrophobicContact CD1-CB 4Å; F86-C95 WeakPolarHBondContact CD1-O 3.09Å; F86-C95 HydrophobicContact CD2-CB 4.45Å; F86-C95 HydrophobicContact CE1-CB 3.61Å; F86-C95 HydrophobicContact CE2-CB 4.1Å; F86-C95 HydrophobicContact CG-CB 4.43Å; F86-C95 HydrophobicContact CZ-CB 3.68Å; F86-C95 PolarHBondContact N-O 3.2Å; F86-C95 PolarHBondContact O-N 3.01Å; A93-C95 PolarHBondContact O-N 3.33Å; A93-C95 PolarHBondContact O-SG 3.25Å; A93-C95 VanDerWaalsContact O-SG 3.37Å; C95-I97 PolarHBondContact O-N 3.02Å
96	P	81.4	Confident	78.5	Confident	71 Å²	71	56.4 Å²	56.4	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.2	176.6	28.7	-33.5	0	0	0	109.9	P98	P96-P98 WeakPolarHBondContact O-CD 3.18Å
97	I	80.8	Confident	78.5	Confident	35 Å²	35	60.4 Å²	60.4	18%	0.179	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-70.5	123.7	166.8	-62.1	-177.9	0	0	0	107.1	M32 L35 T84 F86 C95 R101	M32-I97 HydrophobicContact CE-CG2 4.12Å; L35-I97 HydrophobicContact CD1-CD1 3.73Å; L35-I97 HydrophobicContact CD1-CG1 4.41Å; T84-I97 VanDerWaalsContact O-CB 3.29Å; T84-I97 WeakPolarHBondContact O-CB 3.39Å; T84-I97 WeakPolarHBondContact O-CG1 3.44Å; T84-I97 PolarHBondContact O-N 2.86Å; F86-I97 HydrophobicContact CB-CG1 4.4Å; F86-I97 HydrophobicContact CD1-CG1 3.64Å; F86-I97 HydrophobicContact CE1-CG1 4.39Å; F86-I97 HydrophobicContact CG-CG1 4.45Å; C95-I97 PolarHBondContact O-N 3.02Å; I97-R101 HydrophobicContact CG2-CG 4.07Å
98	P	76.4	Confident	78.5	Confident	25 Å²	25	61.8 Å²	61.8	16%	0.162	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.8	152.7	176.5	-20.9	33.9	0	0	0	111.7	P96 T100 R101 S105 F106	P96-P98 WeakPolarHBondContact O-CD 3.18Å; P98-T100 PolarHBondContact O-N 2.85Å; P98-R101 WeakPolarHBondContact O-CA 3.25Å; P98-R101 PolarHBondContact O-N 3.11Å; P98-S105 WeakPolarHBondContact CB-OG 3.18Å; P98-S105 VanDerWaalsContact CG-OG 3.23Å; P98-S105 WeakPolarHBondContact CG-OG 3.44Å; P98-F106 HydrophobicContact CG-CD2 4.27Å; P98-F106 HydrophobicContact CG-CE1 4.13Å; P98-F106 HydrophobicContact CG-CE2 3.69Å; P98-F106 HydrophobicContact CG-CZ 3.6Å
99	A	69.9	Low	78.7	Confident	114 Å²	114	61.9 Å²	61.9	94%	0.942	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	-178.4	0	0	0	0	0	114	R101	A99-R101 VanDerWaalsContact C-N 3.29Å
100	T	75.5	Confident	79	Confident	88 Å²	88	67.6 Å²	67.6	54%	0.54	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.2	175	57.8	0	0	0	0	114	P98 N102 S105	P98-T100 PolarHBondContact O-N 2.85Å; T100-N102 PolarHBondContact O-N 3.32Å; T100-N102 PolarHBondContact OG1-N 2.66Å; T100-N102 PolarHBondContact OG1-O 3.46Å; T100-S105 PolarHBondContact OG1-OG 3.41Å
101	R	73.2	Confident	79.2	Confident	138 Å²	138	67.3 Å²	67.3	52%	0.521	38%	0.378	S	S	.	.	S	Bend	trans	50.7	16.7	-163.4	-64.8	-170.1	172.8	-168.3	-2.4	114.8	M32 S38 I97 P98 A99	M32-R101 WeakPolarHBondContact CE-O 3.41Å; S38-R101 PolarHBondContact OG-NH2 3.48Å; I97-R101 HydrophobicContact CG2-CG 4.07Å; P98-R101 WeakPolarHBondContact O-CA 3.25Å; P98-R101 PolarHBondContact O-N 3.11Å; A99-R101 VanDerWaalsContact C-N 3.29Å
102	N	81.6	Confident	79.5	Confident	76 Å²	76	66.4 Å²	66.4	41%	0.406	37%	0.37	S	S	.	.			trans	-120.1	127.6	-170.5	-127.6	-46.8	0	0	0	110.6	N29 T100 D104 S105	N29-N102 PolarHBondContact ND2-OD1 2.79Å; N29-N102 PolarHBondContact OD1-OD1 2.72Å; T100-N102 PolarHBondContact O-N 3.32Å; T100-N102 PolarHBondContact OG1-N 2.66Å; T100-N102 PolarHBondContact OG1-O 3.46Å; N102-D104 PolarHBondContact O-N 2.72Å; N102-S105 PolarHBondContact O-N 3.19Å; N102-S105 PolarHBondContact O-OG 2.99Å
103	A	82.8	Confident	79.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-59	-21.1	-177.2	0	0	0	0	0	113.5	K15 L28 N29 M32 S105 F106	K15-A103 WeakPolarHBondContact CD-O 3.2Å; L28-A103 HydrophobicContact CB-CB 3.82Å; L28-A103 HydrophobicContact CD2-CB 3.87Å; L28-A103 HydrophobicContact CG-CB 3.99Å; N29-A103 WeakPolarHBondContact OD1-CB 3.37Å; N29-A103 PolarHBondContact OD1-N 3.45Å; M32-A103 HydrophobicContact SD-CB 4.4Å; A103-S105 PolarHBondContact O-N 3.33Å; A103-S105 VanDerWaalsContact O-N 3.11Å; A103-F106 HydrophobicContact CB-CD2 4.46Å; A103-F106 WeakPolarHBondContact O-CB 3.43Å; A103-F106 PolarHBondContact O-N 2.88Å
104	D	82.8	Confident	79.7	Confident	86 Å²	86	62.7 Å²	62.7	46%	0.46	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.4	178.3	-91.5	-53.6	0	0	0	114.4	N13 K15 C25 N102 F106	N13-D104 PolarHBondContact ND2-OD1 3.35Å; N13-D104 VanDerWaalsContact ND2-OD1 3.13Å; K15-D104 WeakPolarHBondContact CE-OD1 2.91Å; K15-D104 PolarHBondContact NZ-O 3.04Å; K15-D104 IonicContact NZ-OD1 2.83Å; K15-D104 PolarHBondContact NZ-OD1 3.27Å; C25-D104 PolarHBondContact SG-OD1 3.44Å; C25-D104 VanDerWaalsContact SG-OD1 3.35Å; C25-D104 PolarHBondContact SG-OD2 3.17Å; C25-D104 VanDerWaalsContact SG-OD2 3.35Å; N102-D104 PolarHBondContact O-N 2.72Å; D104-F106 VanDerWaalsContact C-N 3.33Å
105	S	81.4	Confident	79.4	Confident	62 Å²	62	56.5 Å²	56.5	43%	0.434	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-78.8	-7.3	175.6	61.4	0	0	0	0	115.1	P98 T100 N102 A103	P98-S105 WeakPolarHBondContact CB-OG 3.18Å; P98-S105 VanDerWaalsContact CG-OG 3.23Å; P98-S105 WeakPolarHBondContact CG-OG 3.44Å; T100-S105 PolarHBondContact OG1-OG 3.41Å; N102-S105 PolarHBondContact O-N 3.19Å; N102-S105 PolarHBondContact O-OG 2.99Å; A103-S105 PolarHBondContact O-N 3.33Å; A103-S105 VanDerWaalsContact O-N 3.11Å
106	F	84.4	Confident	79.3	Confident	17 Å²	17	57.9 Å²	57.9	8%	0.075	33%	0.329	C	S	.	.	S	Bend	trans	-75.6	152.2	167.8	-74.1	-67.7	0	0	0	111.4	K15 L17 L28 M32 F86 P98 A103 D104	K15-F106 HydrophobicContact CB-CB 4.08Å; K15-F106 HydrophobicContact CD-CB 4.42Å; K15-F106 WeakPolarHBondContact CD-O 3.43Å; L17-F106 HydrophobicContact CD2-CD1 4.2Å; L17-F106 HydrophobicContact CD2-CD2 4.23Å; L17-F106 HydrophobicContact CD2-CE1 3.95Å; L17-F106 HydrophobicContact CD2-CE2 3.98Å; L17-F106 HydrophobicContact CD2-CG 4.35Å; L17-F106 HydrophobicContact CD2-CZ 3.84Å; L28-F106 HydrophobicContact CD2-CD2 3.65Å; L28-F106 HydrophobicContact CD2-CE2 3.91Å; M32-F106 HydrophobicContact SD-CE2 4.11Å; F86-F106 HydrophobicContact CE1-CE2 4.32Å; F86-F106 AromaticContact CE1-CZ 3.86Å; F86-F106 HydrophobicContact CE1-CZ 3.86Å; F86-F106 HydrophobicContact CZ-CE2 4.11Å; F86-F106 AromaticContact CZ-CZ 3.9Å; F86-F106 HydrophobicContact CZ-CZ 3.9Å; P98-F106 HydrophobicContact CG-CD2 4.27Å; P98-F106 HydrophobicContact CG-CE1 4.13Å; P98-F106 HydrophobicContact CG-CE2 3.69Å; P98-F106 HydrophobicContact CG-CZ 3.6Å; A103-F106 HydrophobicContact CB-CD2 4.46Å; A103-F106 WeakPolarHBondContact O-CB 3.43Å; A103-F106 PolarHBondContact O-N 2.88Å; D104-F106 VanDerWaalsContact C-N 3.33Å
107	P	83.6	Confident	79.1	Confident	86 Å²	86	58.7 Å²	58.7	56%	0.558	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-53.2	143.9	172.6	-25	34.3	0	0	0	112.2	K15 L16	K15-P107 WeakPolarHBondContact CA-O 3.47Å; L16-P107 PolarHBondContact N-O 3.37Å
108	S	83.6	Confident	78.8	Confident	76 Å²	76	57.3 Å²	57.3	53%	0.531	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-70.2	138.8	168.6	49.9	0	0	0	0	110.1	P14 F110	P14-S108 WeakPolarHBondContact O-CA 3.37Å; S108-F110 VanDerWaalsContact C-N 3.27Å; S108-F110 PolarHBondContact O-N 3.2Å
109	A	83.3	Confident	78.6	Confident	3 Å²	3	56.8 Å²	56.8	3%	0.025	32%	0.316	C	S	.	.			trans	-79.5	78.8	175.1	0	0	0	0	0	109.8	P14 L16 A22 N111 H112 K113	P14-A109 HydrophobicContact CB-CB 4.04Å; P14-A109 PolarHBondContact O-N 3.33Å; L16-A109 HydrophobicContact CB-CB 4.12Å; L16-A109 HydrophobicContact CD1-CB 4.14Å; A22-A109 HydrophobicContact CB-CB 3.98Å; A109-N111 VanDerWaalsContact C-N 3.35Å; A109-N111 PolarHBondContact O-N 3.05Å; A109-H112 HydrophobicContact CB-CB 4.04Å; A109-H112 WeakPolarHBondContact O-CB 3.4Å; A109-H112 PolarHBondContact O-N 3.16Å; A109-K113 PolarHBondContact O-N 3.34Å
110	F	80.8	Confident	78.7	Confident	138 Å²	138	58.6 Å²	58.6	61%	0.605	30%	0.302	S	S	*	.	H	α-helix	trans	-45.8	-52.5	-173	177	-102	0	0	0	113.2	S108 H112 K113 A114 V169	S108-F110 VanDerWaalsContact C-N 3.27Å; S108-F110 PolarHBondContact O-N 3.2Å; F110-H112 VanDerWaalsContact C-N 3.32Å; F110-H112 PolarHBondContact O-N 3.45Å; F110-K113 WeakPolarHBondContact O-CB 3.32Å; F110-K113 PolarHBondContact O-N 3.49Å; F110-A114 PolarHBondContact O-N 2.95Å; F110-V169 HydrophobicContact CE1-CG1 4.14Å
111	N	73.2	Confident	78.5	Confident	30 Å²	30	59.7 Å²	59.7	16%	0.16	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-42.5	-178	-56.8	21.1	0	0	0	112.2	A109 K113 A114 I115 L165 N166 V169	A109-N111 VanDerWaalsContact C-N 3.35Å; A109-N111 PolarHBondContact O-N 3.05Å; N111-K113 VanDerWaalsContact C-N 3.3Å; N111-K113 PolarHBondContact O-N 3.5Å; N111-A114 PolarHBondContact O-N 2.91Å; N111-I115 WeakPolarHBondContact O-CD1 3.4Å; N111-I115 VanDerWaalsContact O-CG1 3.24Å; N111-I115 WeakPolarHBondContact O-CG1 3.5Å; N111-I115 PolarHBondContact O-N 3.11Å; N111-L165 HydrophobicContact CB-CB 4.05Å; N111-N166 PolarHBondContact ND2-N 2.63Å; N111-N166 PolarHBondContact ND2-OD1 2.8Å; N111-V169 HydrophobicContact CB-CG2 3.8Å
112	H	80.3	Confident	78.2	Confident	15 Å²	15	54.5 Å²	54.5	7%	0.069	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-39.6	177.4	-65.9	75.7	0	0	0	110.7	M1 L11 P14 A109 F110 L116 L165	M1-H112 PolarHBondContact N-NE2 3.43Å; M1-H112 PolarHBondContact O-CD2 3.43Å; M1-H112 PolarHBondContact O-NE2 3.4Å; L11-H112 HydrophobicContact CD1-CB 4.36Å; P14-H112 HydrophobicContact CB-CB 4.48Å; P14-H112 HydrophobicContact CG-CB 4.4Å; A109-H112 HydrophobicContact CB-CB 4.04Å; A109-H112 WeakPolarHBondContact O-CB 3.4Å; A109-H112 PolarHBondContact O-N 3.16Å; F110-H112 VanDerWaalsContact C-N 3.32Å; F110-H112 PolarHBondContact O-N 3.45Å; H112-L116 WeakPolarHBondContact O-CB 3.42Å; H112-L116 WeakPolarHBondContact O-CD1 3.5Å; H112-L116 WeakPolarHBondContact O-CG 3.2Å; H112-L116 PolarHBondContact O-N 2.95Å; H112-L165 VanDerWaalsContact CE1-CD1 3.47Å; H112-L165 WeakPolarHBondContact CE1-CD1 3.38Å
113	K	79.8	Confident	77.1	Confident	101 Å²	101	58.2 Å²	58.2	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-65.4	-46	176.2	-166.8	-176.7	-177.4	-104.7	0	112.2	A109 F110 N111 I115 L116 E117	A109-K113 PolarHBondContact O-N 3.34Å; F110-K113 WeakPolarHBondContact O-CB 3.32Å; F110-K113 PolarHBondContact O-N 3.49Å; N111-K113 VanDerWaalsContact C-N 3.3Å; N111-K113 PolarHBondContact O-N 3.5Å; K113-I115 VanDerWaalsContact C-N 3.33Å; K113-I115 PolarHBondContact O-N 2.83Å; K113-L116 PolarHBondContact O-N 2.88Å; K113-E117 WeakPolarHBondContact CE-OE1 3.39Å; K113-E117 IonicContact NZ-OE1 2.63Å; K113-E117 PolarHBondContact NZ-OE1 2.88Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 2.84Å
114	A	77.7	Confident	75.8	Confident	22 Å²	22	59.4 Å²	59.4	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-42.5	178.2	0	0	0	0	0	111.9	F110 N111 E117 F118 V169	F110-A114 PolarHBondContact O-N 2.95Å; N111-A114 PolarHBondContact O-N 2.91Å; A114-E117 PolarHBondContact O-N 2.95Å; A114-F118 PolarHBondContact O-N 3.16Å; A114-V169 HydrophobicContact CB-CG1 4.29Å; A114-V169 HydrophobicContact CB-CG2 4.15Å
115	I	75.3	Confident	73.9	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-43	175.4	-64.3	166	0	0	0	111.1	V2 N111 K113 E117 F118 L119 L165 I168 V169 I172 F193	V2-I115 HydrophobicContact CG1-CB 4.18Å; V2-I115 HydrophobicContact CG1-CG2 3.63Å; N111-I115 WeakPolarHBondContact O-CD1 3.4Å; N111-I115 VanDerWaalsContact O-CG1 3.24Å; N111-I115 WeakPolarHBondContact O-CG1 3.5Å; N111-I115 PolarHBondContact O-N 3.11Å; K113-I115 VanDerWaalsContact C-N 3.33Å; K113-I115 PolarHBondContact O-N 2.83Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 2.82Å; I115-F118 WeakPolarHBondContact O-CB 3.37Å; I115-F118 PolarHBondContact O-N 2.95Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 VanDerWaalsContact O-CG 3.3Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 3.03Å; I115-L165 HydrophobicContact CD1-CD2 3.74Å; I115-I168 HydrophobicContact CD1-CG2 4.04Å; I115-I168 HydrophobicContact CG1-CG2 4.03Å; I115-V169 HydrophobicContact CD1-CG2 4.21Å; I115-V169 HydrophobicContact CG1-CG2 4.01Å; I115-I172 HydrophobicContact CG1-CD1 4.33Å; I115-F193 HydrophobicContact CG2-CD2 4.33Å; I115-F193 HydrophobicContact CG2-CE2 3.39Å; I115-F193 HydrophobicContact CG2-CZ 3.5Å
116	L	76.7	Confident	72	Confident	30 Å²	30	61.2 Å²	61.2	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-41.2	175.9	-74.6	161.7	0	0	0	112.5	V2 F10 L11 P14 H112 K113 L119 K120	V2-L116 HydrophobicContact CB-CD2 4.1Å; V2-L116 HydrophobicContact CB-CG 4.45Å; V2-L116 HydrophobicContact CG1-CG 4.39Å; F10-L116 HydrophobicContact CB-CD2 4.03Å; F10-L116 HydrophobicContact CD1-CD2 3.78Å; F10-L116 HydrophobicContact CG-CD2 4.29Å; L11-L116 HydrophobicContact CB-CD1 3.99Å; L11-L116 VanDerWaalsContact O-CD1 3.28Å; L11-L116 WeakPolarHBondContact O-CD1 3.18Å; P14-L116 HydrophobicContact CG-CD1 4.37Å; H112-L116 WeakPolarHBondContact O-CB 3.42Å; H112-L116 WeakPolarHBondContact O-CD1 3.5Å; H112-L116 WeakPolarHBondContact O-CG 3.2Å; H112-L116 PolarHBondContact O-N 2.95Å; K113-L116 PolarHBondContact O-N 2.88Å; L116-L119 PolarHBondContact O-N 2.94Å; L116-K120 VanDerWaalsContact O-CB 3.24Å; L116-K120 WeakPolarHBondContact O-CB 3.42Å; L116-K120 PolarHBondContact O-N 3.38Å
117	E	78.2	Confident	70	Confident	88 Å²	88	64.5 Å²	64.5	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-39.9	174.7	-73.9	173.9	178.3	0	0	111.1	K113 A114 I115 K120 N121	K113-E117 WeakPolarHBondContact CE-OE1 3.39Å; K113-E117 IonicContact NZ-OE1 2.63Å; K113-E117 PolarHBondContact NZ-OE1 2.88Å; K113-E117 WeakPolarHBondContact O-CG 3.41Å; K113-E117 PolarHBondContact O-N 2.84Å; A114-E117 PolarHBondContact O-N 2.95Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 2.82Å; E117-K120 PolarHBondContact O-N 2.9Å; E117-N121 VanDerWaalsContact O-CB 3.24Å; E117-N121 WeakPolarHBondContact O-CB 3.45Å; E117-N121 PolarHBondContact O-N 2.8Å; E117-N121 PolarHBondContact O-ND2 2.88Å; E117-N121 PolarHBondContact O-OD1 2.87Å
118	F	75	Confident	68	Low	7 Å²	7	63.5 Å²	63.5	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-48.4	172.6	-179.4	-87.4	0	0	0	113.2	A114 I115 K120 N121 N122 I172 M181 I189 I190	A114-F118 PolarHBondContact O-N 3.16Å; I115-F118 WeakPolarHBondContact O-CB 3.37Å; I115-F118 PolarHBondContact O-N 2.95Å; F118-K120 VanDerWaalsContact C-N 3.34Å; F118-K120 PolarHBondContact O-N 2.99Å; F118-N121 PolarHBondContact O-N 3.03Å; F118-N122 PolarHBondContact O-N 3.15Å; F118-N122 VanDerWaalsContact O-N 3.09Å; F118-N122 PolarHBondContact O-ND2 3.13Å; F118-I172 HydrophobicContact CB-CD1 3.92Å; F118-I172 HydrophobicContact CD1-CD1 4.28Å; F118-I172 HydrophobicContact CD2-CB 4.31Å; F118-I172 HydrophobicContact CD2-CD1 3.85Å; F118-I172 HydrophobicContact CD2-CG1 3.64Å; F118-I172 HydrophobicContact CD2-CG2 3.76Å; F118-I172 HydrophobicContact CE2-CD1 4.39Å; F118-I172 HydrophobicContact CE2-CG1 3.83Å; F118-I172 HydrophobicContact CE2-CG2 4.42Å; F118-I172 HydrophobicContact CG-CD1 3.77Å; F118-I172 HydrophobicContact CG-CG1 4.1Å; F118-I172 HydrophobicContact CG-CG2 4.5Å; F118-I172 HydrophobicContact CZ-CG1 4.48Å; F118-M181 HydrophobicContact CD2-CE 4.33Å; F118-M181 HydrophobicContact CE2-CE 3.34Å; F118-M181 HydrophobicContact CE2-SD 3.74Å; F118-M181 HydrophobicContact CZ-CE 3.77Å; F118-M181 HydrophobicContact CZ-SD 4.33Å; F118-I189 HydrophobicContact CE1-CB 4.39Å; F118-I189 HydrophobicContact CE1-CG2 3.64Å; F118-I189 HydrophobicContact CE2-CD1 4.28Å; F118-I189 HydrophobicContact CE2-CG2 4.31Å; F118-I189 HydrophobicContact CZ-CB 3.95Å; F118-I189 HydrophobicContact CZ-CD1 4.13Å; F118-I189 HydrophobicContact CZ-CG2 3.51Å; F118-I190 HydrophobicContact CE1-CG1 4.39Å
119	L	71.3	Confident	65.5	Low	14 Å²	14	63.3 Å²	63.3	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-42	179	-66.2	171.6	0	0	0	111.4	V2 F10 I115 L116 N122 H123 I124 F193	V2-L119 HydrophobicContact CG2-CD1 4.06Å; F10-L119 HydrophobicContact CE1-CD1 4.24Å; I115-L119 HydrophobicContact CG2-CD1 4.11Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 VanDerWaalsContact O-CG 3.3Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 3.03Å; L116-L119 PolarHBondContact O-N 2.94Å; L119-N122 PolarHBondContact O-N 3.23Å; L119-H123 PolarHBondContact O-N 3.25Å; L119-I124 HydrophobicContact CD2-CD1 3.75Å; L119-I124 PolarHBondContact O-N 2.98Å; L119-F193 HydrophobicContact CD1-CD1 4.48Å; L119-F193 HydrophobicContact CD1-CE1 3.81Å; L119-F193 HydrophobicContact CD1-CZ 4.13Å; L119-F193 HydrophobicContact CD2-CD1 4.02Å; L119-F193 HydrophobicContact CD2-CE1 4.17Å
120	K	72.1	Confident	63.2	Low	151 Å²	151	73.4 Å²	73.4	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-64.7	-44.4	177.2	-173.4	179.4	-178.2	-178.1	0	112	L116 E117 F118 N122 H123	L116-K120 VanDerWaalsContact O-CB 3.24Å; L116-K120 WeakPolarHBondContact O-CB 3.42Å; L116-K120 PolarHBondContact O-N 3.38Å; E117-K120 PolarHBondContact O-N 2.9Å; F118-K120 VanDerWaalsContact C-N 3.34Å; F118-K120 PolarHBondContact O-N 2.99Å; K120-N122 VanDerWaalsContact C-N 3.26Å; K120-N122 PolarHBondContact O-N 2.95Å; K120-H123 PolarHBondContact O-N 2.93Å
121	N	71.4	Confident	61	Low	111 Å²	111	72.7 Å²	72.7	59%	0.594	36%	0.362	S	S	*	.	H	α-helix	trans	-71.4	-18.8	-179.9	-67.8	-12.7	0	0	0	113.3	E117 F118	E117-N121 VanDerWaalsContact O-CB 3.24Å; E117-N121 WeakPolarHBondContact O-CB 3.45Å; E117-N121 PolarHBondContact O-N 2.8Å; E117-N121 PolarHBondContact O-ND2 2.88Å; E117-N121 PolarHBondContact O-OD1 2.87Å; F118-N121 PolarHBondContact O-N 3.03Å
122	N	66.5	Low	59.2	Low	30 Å²	30	75.2 Å²	75.2	16%	0.16	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	21	172.5	-69.2	-79.2	0	0	0	113	F118 L119 K120 I124 R186	F118-N122 PolarHBondContact O-N 3.15Å; F118-N122 VanDerWaalsContact O-N 3.09Å; F118-N122 PolarHBondContact O-ND2 3.13Å; L119-N122 PolarHBondContact O-N 3.23Å; K120-N122 VanDerWaalsContact C-N 3.26Å; K120-N122 PolarHBondContact O-N 2.95Å; N122-I124 VanDerWaalsContact C-N 3.3Å; N122-I124 HydrophobicContact CB-CD1 4.29Å; N122-I124 HydrophobicContact CB-CG1 4.3Å; N122-I124 WeakPolarHBondContact O-CG1 3.41Å; N122-I124 PolarHBondContact O-N 2.81Å; N122-R186 PolarHBondContact OD1-NH1 2.76Å
123	H	58.5	Low	56.9	Low	154 Å²	154	79.9 Å²	79.9	71%	0.713	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	29.1	172.6	-70.2	-92.1	0	0	0	116.1	L119 K120 N125	L119-H123 PolarHBondContact O-N 3.25Å; K120-H123 PolarHBondContact O-N 2.93Å; H123-N125 PolarHBondContact O-N 2.88Å
124	I	55.7	Low	54.9	Low	25 Å²	25	81.9 Å²	81.9	13%	0.128	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-77.3	29.5	-178	-52.2	-177.4	0	0	0	112	L119 N122 S126 F127 I190	L119-I124 HydrophobicContact CD2-CD1 3.75Å; L119-I124 PolarHBondContact O-N 2.98Å; N122-I124 VanDerWaalsContact C-N 3.3Å; N122-I124 HydrophobicContact CB-CD1 4.29Å; N122-I124 HydrophobicContact CB-CG1 4.3Å; N122-I124 WeakPolarHBondContact O-CG1 3.41Å; N122-I124 PolarHBondContact O-N 2.81Å; I124-S126 PolarHBondContact O-N 2.65Å; I124-F127 HydrophobicContact CG2-CD2 3.32Å; I124-F127 HydrophobicContact CG2-CE2 3.55Å; I124-F127 HydrophobicContact CG2-CG 4.12Å; I124-F127 HydrophobicContact CG2-CZ 4.49Å; I124-F127 PolarHBondContact O-N 3.05Å; I124-I190 HydrophobicContact CD1-CD1 3.85Å; I124-I190 HydrophobicContact CD1-CG1 3.89Å
125	N	43	Very low	52.8	Low	106 Å²	106	87.4 Å²	87.4	57%	0.567	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19	179.1	-65.1	-18.5	0	0	0	113	H123 F127	H123-N125 PolarHBondContact O-N 2.88Å; N125-F127 PolarHBondContact O-N 2.73Å
126	S	42.3	Very low	50.6	Low	79 Å²	79	93.3 Å²	93.3	55%	0.552	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-66.6	-16.4	-179.8	54.1	0	0	0	0	114.6	I124 V128	I124-S126 PolarHBondContact O-N 2.65Å; S126-V128 PolarHBondContact O-N 2.73Å
127	F	41.4	Very low	48.4	Very low	87 Å²	87	99.8 Å²	99.8	38%	0.382	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-68.4	-31.7	-179.6	-88.9	-111.9	0	0	0	113.3	F10 I124 N125 S129 R130 L197	F10-F127 HydrophobicContact CE2-CB 4.47Å; F10-F127 HydrophobicContact CZ-CB 4.31Å; I124-F127 HydrophobicContact CG2-CD2 3.32Å; I124-F127 HydrophobicContact CG2-CE2 3.55Å; I124-F127 HydrophobicContact CG2-CG 4.12Å; I124-F127 HydrophobicContact CG2-CZ 4.49Å; I124-F127 PolarHBondContact O-N 3.05Å; N125-F127 PolarHBondContact O-N 2.73Å; F127-S129 VanDerWaalsContact C-N 3.27Å; F127-S129 PolarHBondContact O-N 2.75Å; F127-R130 PolarHBondContact O-N 2.85Å; F127-L197 HydrophobicContact CE1-CD1 3.95Å
128	V	41.5	Very low	46.1	Very low	65 Å²	65	99.2 Å²	99.2	39%	0.394	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-37.8	180	-177.2	0	0	0	0	111.3	F10 S126 R130 N132	F10-V128 HydrophobicContact CD2-CG2 4.2Å; F10-V128 HydrophobicContact CE2-CG2 4.01Å; S126-V128 PolarHBondContact O-N 2.73Å; V128-R130 VanDerWaalsContact C-N 3.29Å; V128-R130 PolarHBondContact O-N 2.85Å; V128-N132 PolarHBondContact O-N 2.8Å
129	S	32.4	Very low	43.9	Very low	71 Å²	71	105.9 Å²	105.9	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-70.1	-20.2	-177.9	-49.5	0	0	0	0	114.2	F127 N133	F127-S129 VanDerWaalsContact C-N 3.27Å; F127-S129 PolarHBondContact O-N 2.75Å; S129-N133 WeakPolarHBondContact O-CB 3.41Å; S129-N133 PolarHBondContact O-ND2 3.13Å; S129-N133 PolarHBondContact O-OD1 3.4Å
130	R	34.3	Very low	41.9	Very low	216 Å²	216	111.4 Å²	111.4	82%	0.815	60%	0.603	S	S	*	*	H	α-helix	trans	-87.8	-27.5	178.9	-78.8	-171.7	174.4	-177.5	-1.7	113.9	F127 V128	F127-R130 PolarHBondContact O-N 2.85Å; V128-R130 VanDerWaalsContact C-N 3.29Å; V128-R130 PolarHBondContact O-N 2.85Å
131	M	34.6	Very low	39.9	Very low	122 Å²	122	113.5 Å²	113.5	60%	0.601	62%	0.615	S	S	*	*	H	α-helix	trans	-81.3	-37.7	174.7	-79.6	-176.9	162.2	0	0	112.6
132	N	34.9	Very low	37.9	Very low	83 Å²	83	117.1 Å²	117.1	44%	0.444	63%	0.628	S	S	.	*	H	α-helix	trans	-76.4	-26.4	-177.1	-75.1	-17.6	0	0	0	114.3	V128 N134 N135	V128-N132 PolarHBondContact O-N 2.8Å; N132-N134 VanDerWaalsContact C-N 3.26Å; N132-N134 PolarHBondContact O-N 3.44Å; N132-N135 PolarHBondContact O-N 3.44Å
133	N	33.5	Very low	36.2	Very low	114 Å²	114	121.3 Å²	121.3	61%	0.61	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-14.4	-174.8	-81	10.9	0	0	0	114.6	S129	S129-N133 WeakPolarHBondContact O-CB 3.41Å; S129-N133 PolarHBondContact O-ND2 3.13Å; S129-N133 PolarHBondContact O-OD1 3.4Å
134	N	36.5	Very low	34.8	Very low	143 Å²	143	122 Å²	122	77%	0.765	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-9.6	178.1	-75.6	13.6	0	0	0	113.9	N132	N132-N134 VanDerWaalsContact C-N 3.26Å; N132-N134 PolarHBondContact O-N 3.44Å
135	N	34.4	Very low	33.5	Very low	138 Å²	138	126.4 Å²	126.4	74%	0.738	70%	0.702	S	S	*	*	S	Bend	trans	-107.2	-5.1	-176.5	-73.7	-11.3	0	0	0	114.7	N132	N132-N135 PolarHBondContact O-N 3.44Å
136	N	29.4	Very low	32.9	Very low	126 Å²	126	128.5 Å²	128.5	67%	0.674	72%	0.718	S	S	*	*			trans	-116.6	60.4	-170.6	-73.9	-23.1	0	0	0	112.9
137	N	30.2	Very low	32.3	Very low	165 Å²	165	128.1 Å²	128.1	88%	0.882	73%	0.727	S	S	*	*			trans	-147.6	98.8	165.3	-95.2	-38.8	0	0	0	109.6
138	G	28.6	Very low	31.8	Very low	77 Å²	77	132.2 Å²	132.2	79%	0.794	75%	0.745	S	S	*	*			trans	171.4	74.7	-174.5	0	0	0	0	0	111.4
139	T	30.1	Very low	31.2	Very low	146 Å²	146	134.2 Å²	134.2	90%	0.896	76%	0.762	S	S	*	*			trans	-67.6	145.1	176.6	35	0	0	0	0	112
140	V	28.1	Very low	31	Very low	131 Å²	131	136.7 Å²	136.7	79%	0.794	78%	0.776	S	S	*	*			trans	-75	126.7	-176.5	177.3	0	0	0	0	111.5
141	E	30.9	Very low	30.8	Very low	194 Å²	194	133.7 Å²	133.7	91%	0.907	78%	0.775	S	S	*	*			trans	-133.1	150.7	149.3	-70.9	-163.3	151.1	0	0	109.3
142	Q	29.9	Very low	30.5	Very low	187 Å²	187	133.6 Å²	133.6	87%	0.874	78%	0.783	S	S	*	*			trans	-100	135	-169.1	-61	171.7	-86.7	0	0	112
143	S	30.9	Very low	30.1	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	80%	0.8	S	S	*	*			trans	-160.1	141.7	150.5	45.3	0	0	0	0	110.8
144	D	27.9	Very low	30	Very low	168 Å²	168	136.3 Å²	136.3	90%	0.898	79%	0.793	S	S	*	*			trans	-78.2	133	-177.2	-62.2	-73.1	0	0	0	112.4
145	S	29.7	Very low	29.9	Very low	119 Å²	119	136 Å²	136	83%	0.832	79%	0.785	S	S	*	*			trans	-166.9	156.4	148	42	0	0	0	0	112.2
146	T	30.3	Very low	29.8	Very low	149 Å²	149	134.2 Å²	134.2	91%	0.914	78%	0.779	S	S	*	*			trans	-68.6	128.9	-175.9	49.1	0	0	0	0	113.4
147	G	28.3	Very low	30.1	Very low	72 Å²	72	129.2 Å²	129.2	74%	0.742	75%	0.754	S	S	*	*			trans	-160.6	135	169.8	0	0	0	0	0	113.4	S149	G147-S149 PolarHBondContact O-N 2.88Å
148	K	30.6	Very low	30.5	Very low	173 Å²	173	123.3 Å²	123.3	75%	0.752	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-62.6	122.8	173.9	-71	-178.4	174.6	-177.4	0	108.7	E448	K148-E448 IonicContact NZ-OE1 2.85Å; K148-E448 PolarHBondContact NZ-OE1 2.84Å; K148-E448 IonicContact NZ-OE2 2.72Å; K148-E448 PolarHBondContact NZ-OE2 3.49Å
149	S	29.5	Very low	31.2	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-75.6	145.4	178.8	50.6	0	0	0	0	111.9	G147	G147-S149 PolarHBondContact O-N 2.88Å
150	P	28.4	Very low	32	Very low	124 Å²	124	118.8 Å²	118.8	81%	0.805	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-72.1	135.4	-177.5	28.5	-34.2	0	0	0	111.8
151	I	29.1	Very low	33.3	Very low	153 Å²	153	113.4 Å²	113.4	79%	0.785	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-68.2	131.3	176.8	-60.7	172.6	0	0	0	109.1	T153	I151-T153 PolarHBondContact O-N 2.67Å
152	P	28.7	Very low	34.6	Very low	119 Å²	119	107.8 Å²	107.8	77%	0.773	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.4	120	-178.3	26.2	-34.2	0	0	0	111.7
153	T	27.9	Very low	35.7	Very low	130 Å²	130	103 Å²	103	80%	0.798	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-70.3	128	179.2	43.9	0	0	0	0	111.7	I151 K155	I151-T153 PolarHBondContact O-N 2.67Å; T153-K155 PolarHBondContact O-N 3.03Å
154	R	30.2	Very low	37	Very low	125 Å²	125	101.7 Å²	101.7	47%	0.472	58%	0.578	S	S	.	*			trans	-87.1	92.9	-172.4	-176.9	-179.8	178.3	-131.5	1.8	110.5	P89 I90 T156	P89-R154 PolarHBondContact O-NH2 2.72Å; I90-R154 PolarHBondContact O-NH2 2.89Å; R154-T156 PolarHBondContact O-N 2.85Å
155	K	34.4	Very low	38.7	Very low	136 Å²	136	94.3 Å²	94.3	59%	0.591	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-57	134.9	178.3	-63.4	-149.9	178	-151.6	0	111.8	T153 D204	T153-K155 PolarHBondContact O-N 3.03Å; K155-D204 IonicContact NZ-OD1 2.69Å; K155-D204 PolarHBondContact NZ-OD1 2.84Å; K155-D204 IonicContact NZ-OD2 3.9Å; K155-D204 PolarHBondContact NZ-OD2 3.09Å
156	T	33.1	Very low	40.5	Very low	100 Å²	100	92 Å²	92	61%	0.613	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-75.9	133.5	179.4	41.5	0	0	0	0	111.3	R154	R154-T156 PolarHBondContact O-N 2.85Å
157	S	35.6	Very low	42.4	Very low	21 Å²	21	92.5 Å²	92.5	15%	0.147	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-86.4	125	169.2	61.2	0	0	0	0	110.1	I90 Q159	I90-S157 WeakPolarHBondContact CD1-OG 3.32Å; I90-S157 WeakPolarHBondContact CG1-OG 3.29Å; I90-S157 WeakPolarHBondContact CG2-OG 3.13Å; S157-Q159 PolarHBondContact O-N 2.87Å
158	L	38.7	Very low	44.2	Very low	41 Å²	41	89.7 Å²	89.7	22%	0.215	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-60.4	129.5	172.6	-104.5	69.4	0	0	0	111.3	V160 L200 D572	L158-V160 VanDerWaalsContact C-N 3.26Å; L158-V160 PolarHBondContact O-N 2.71Å; L158-L200 HydrophobicContact CD1-CD2 3.84Å; L158-D572 WeakPolarHBondContact CD1-OD2 3.39Å; L158-D572 WeakPolarHBondContact CG-OD2 3.35Å
159	Q	42.2	Very low	46.3	Very low	96 Å²	96	82.1 Å²	82.1	45%	0.449	44%	0.44	S	S	.	.			trans	-73.7	81.5	165.3	-73.4	-158.7	-34.2	0	0	109.8	H21 S157 S161 Y569	H21-Q159 PolarHBondContact CE1-NE2 3.39Å; H21-Q159 PolarHBondContact NE2-NE2 2.83Å; H21-Q159 VanDerWaalsContact NE2-NE2 3.2Å; S157-Q159 PolarHBondContact O-N 2.87Å; Q159-S161 PolarHBondContact O-N 2.83Å; Q159-Y569 VanDerWaalsContact OE1-CD2 3.28Å
160	V	48.6	Very low	48.4	Very low	33 Å²	33	81.7 Å²	81.7	20%	0.2	43%	0.429	C	S	.	.			trans	-67.7	115.8	165.5	-170.5	0	0	0	0	107.5	L158 M164 L165	L158-V160 VanDerWaalsContact C-N 3.26Å; L158-V160 PolarHBondContact O-N 2.71Å; V160-M164 HydrophobicContact CG1-CB 4.05Å; V160-M164 HydrophobicContact CG1-CG 4.03Å; V160-L165 HydrophobicContact CB-CD2 4.46Å; V160-L165 HydrophobicContact CB-CG 4.36Å; V160-L165 HydrophobicContact CG1-CD2 3.92Å; V160-L165 HydrophobicContact CG1-CG 3.87Å
161	S	54.2	Low	50.3	Low	18 Å²	18	78.6 Å²	78.6	13%	0.126	41%	0.406	C	S	.	.			trans	-62.7	154.5	-171.9	83.2	0	0	0	0	112.8	Q159 R163 M164 L165 V606	Q159-S161 PolarHBondContact O-N 2.83Å; S161-R163 PolarHBondContact O-N 2.82Å; S161-M164 PolarHBondContact O-N 2.88Å; S161-M164 VanDerWaalsContact O-N 3.15Å; S161-M164 PolarHBondContact OG-N 2.87Å; S161-M164 VanDerWaalsContact OG-N 3.11Å; S161-L165 WeakPolarHBondContact O-CG 3.33Å; S161-L165 PolarHBondContact O-N 2.81Å; S161-V606 WeakPolarHBondContact CB-O 3.38Å; S161-V606 PolarHBondContact OG-O 3.32Å
162	S	58.8	Low	52.2	Low	75 Å²	75	71.6 Å²	71.6	52%	0.524	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-37	176.9	55.1	0	0	0	0	111.7	N166	S162-N166 WeakPolarHBondContact O-CB 2.84Å; S162-N166 PolarHBondContact O-N 3.17Å; S162-N166 PolarHBondContact O-OD1 2.91Å
163	R	52.9	Low	54.3	Low	88 Å²	88	67.4 Å²	67.4	33%	0.332	35%	0.345	S	S	.	.	H	α-helix	trans	-66.9	-43.9	172.7	-94.6	177.2	179.4	-167.7	15.5	112.9	S161 L165 N166 Y167 D605	S161-R163 PolarHBondContact O-N 2.82Å; R163-L165 VanDerWaalsContact C-N 3.29Å; R163-L165 PolarHBondContact O-N 3.46Å; R163-N166 PolarHBondContact O-N 3.09Å; R163-N166 VanDerWaalsContact O-N 3.13Å; R163-Y167 VanDerWaalsContact O-CD2 3.29Å; R163-Y167 WeakPolarHBondContact O-CD2 3.38Å; R163-Y167 PolarHBondContact O-N 2.98Å; R163-D605 WeakPolarHBondContact CD-O 3.41Å; R163-D605 VanDerWaalsContact CZ-C 3.49Å; R163-D605 IonicContact CZ-OD2 3.04Å; R163-D605 PolarHBondContact NE-O 3.42Å; R163-D605 VanDerWaalsContact NE-O 3.1Å; R163-D605 VanDerWaalsContact NH1-C 3.3Å; R163-D605 PolarHBondContact NH1-O 3Å; R163-D605 IonicContact NH1-OD2 2.76Å; R163-D605 IonicContact NH2-OD2 2.8Å; R163-D605 PolarHBondContact NH2-OD2 3.17Å
164	M	58.4	Low	56.1	Low	89 Å²	89	63.6 Å²	63.6	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-41	175.9	-167.2	72.6	-179.9	0	0	111.2	V160 S161 I168 I196	V160-M164 HydrophobicContact CG1-CB 4.05Å; V160-M164 HydrophobicContact CG1-CG 4.03Å; S161-M164 PolarHBondContact O-N 2.88Å; S161-M164 VanDerWaalsContact O-N 3.15Å; S161-M164 PolarHBondContact OG-N 2.87Å; S161-M164 VanDerWaalsContact OG-N 3.11Å; M164-I168 WeakPolarHBondContact O-CG1 3.42Å; M164-I168 PolarHBondContact O-N 3.47Å; M164-I196 HydrophobicContact CE-CD1 4.14Å
165	L	64.3	Low	57.8	Low	14 Å²	14	59.4 Å²	59.4	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-67.7	-36.1	173.5	-68.9	170.7	0	0	0	112.8	N111 H112 I115 V160 S161 R163 V169	N111-L165 HydrophobicContact CB-CB 4.05Å; H112-L165 VanDerWaalsContact CE1-CD1 3.47Å; H112-L165 WeakPolarHBondContact CE1-CD1 3.38Å; I115-L165 HydrophobicContact CD1-CD2 3.74Å; V160-L165 HydrophobicContact CB-CD2 4.46Å; V160-L165 HydrophobicContact CB-CG 4.36Å; V160-L165 HydrophobicContact CG1-CD2 3.92Å; V160-L165 HydrophobicContact CG1-CG 3.87Å; S161-L165 WeakPolarHBondContact O-CG 3.33Å; S161-L165 PolarHBondContact O-N 2.81Å; R163-L165 VanDerWaalsContact C-N 3.29Å; R163-L165 PolarHBondContact O-N 3.46Å; L165-V169 WeakPolarHBondContact O-CB 3.41Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 2.82Å
166	N	66.9	Low	59.5	Low	69 Å²	69	58.4 Å²	58.4	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-49	174.4	-72.8	-9.1	0	0	0	110.5	N111 S162 R163 I168 V169 D170	N111-N166 PolarHBondContact ND2-N 2.63Å; N111-N166 PolarHBondContact ND2-OD1 2.8Å; S162-N166 WeakPolarHBondContact O-CB 2.84Å; S162-N166 PolarHBondContact O-N 3.17Å; S162-N166 PolarHBondContact O-OD1 2.91Å; R163-N166 PolarHBondContact O-N 3.09Å; R163-N166 VanDerWaalsContact O-N 3.13Å; N166-I168 VanDerWaalsContact C-N 3.35Å; N166-I168 PolarHBondContact O-N 3.21Å; N166-V169 CarbonylContact O-C 3.54Å; N166-V169 PolarHBondContact O-N 2.87Å; N166-D170 WeakPolarHBondContact O-CB 3.29Å; N166-D170 PolarHBondContact O-N 3.38Å
167	Y	69.9	Low	60.9	Low	161 Å²	161	62.6 Å²	62.6	63%	0.631	31%	0.31	S	S	*	.	H	α-helix	trans	-52.3	-50.8	177.7	-89.1	-68.2	0	0	0	111.9	R163 V169 D170 D171	R163-Y167 VanDerWaalsContact O-CD2 3.29Å; R163-Y167 WeakPolarHBondContact O-CD2 3.38Å; R163-Y167 PolarHBondContact O-N 2.98Å; Y167-V169 VanDerWaalsContact C-N 3.29Å; Y167-V169 PolarHBondContact O-N 2.86Å; Y167-D170 PolarHBondContact O-N 2.8Å; Y167-D171 VanDerWaalsContact O-CB 3.28Å; Y167-D171 WeakPolarHBondContact O-CB 3.38Å; Y167-D171 PolarHBondContact O-N 3.36Å
168	I	66.8	Low	62.1	Low	12 Å²	12	68.4 Å²	68.4	6%	0.062	34%	0.335	C	S	.	.	H	α-helix	trans	-60.5	-39.1	178.2	-65.1	165.5	0	0	0	111.2	I115 M164 N166 I172 I196	I115-I168 HydrophobicContact CD1-CG2 4.04Å; I115-I168 HydrophobicContact CG1-CG2 4.03Å; M164-I168 WeakPolarHBondContact O-CG1 3.42Å; M164-I168 PolarHBondContact O-N 3.47Å; N166-I168 VanDerWaalsContact C-N 3.35Å; N166-I168 PolarHBondContact O-N 3.21Å; I168-I172 HydrophobicContact CG2-CD1 3.88Å; I168-I172 WeakPolarHBondContact O-CB 3.34Å; I168-I172 WeakPolarHBondContact O-CD1 3.44Å; I168-I172 WeakPolarHBondContact O-CG1 3.4Å; I168-I172 PolarHBondContact O-N 2.87Å; I168-I196 HydrophobicContact CD1-CD1 3.86Å
169	V	74.4	Confident	62.6	Low	15 Å²	15	69.5 Å²	69.5	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-74.1	-40.1	-180	169.6	0	0	0	0	112.6	F110 N111 A114 I115 L165 N166 Y167 D171 A173	F110-V169 HydrophobicContact CE1-CG1 4.14Å; N111-V169 HydrophobicContact CB-CG2 3.8Å; A114-V169 HydrophobicContact CB-CG1 4.29Å; A114-V169 HydrophobicContact CB-CG2 4.15Å; I115-V169 HydrophobicContact CD1-CG2 4.21Å; I115-V169 HydrophobicContact CG1-CG2 4.01Å; L165-V169 WeakPolarHBondContact O-CB 3.41Å; L165-V169 WeakPolarHBondContact O-CG2 3.35Å; L165-V169 PolarHBondContact O-N 2.82Å; N166-V169 CarbonylContact O-C 3.54Å; N166-V169 PolarHBondContact O-N 2.87Å; Y167-V169 VanDerWaalsContact C-N 3.29Å; Y167-V169 PolarHBondContact O-N 2.86Å; V169-D171 VanDerWaalsContact C-N 3.32Å; V169-A173 WeakPolarHBondContact O-CB 3.45Å; V169-A173 PolarHBondContact O-N 3.24Å
170	D	73.4	Confident	63	Low	97 Å²	97	74.9 Å²	74.9	52%	0.519	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-38	175.8	-77.8	-40	0	0	0	111	N166 Y167 A173 S174	N166-D170 WeakPolarHBondContact O-CB 3.29Å; N166-D170 PolarHBondContact O-N 3.38Å; Y167-D170 PolarHBondContact O-N 2.8Å; D170-A173 CarbonylContact O-C 3.55Å; D170-A173 PolarHBondContact O-N 2.98Å; D170-S174 VanDerWaalsContact O-CB 3.3Å; D170-S174 WeakPolarHBondContact O-CB 3.29Å; D170-S174 PolarHBondContact O-N 3.46Å
171	D	67.5	Low	63.6	Low	58 Å²	58	74.6 Å²	74.6	31%	0.31	37%	0.369	S	S	.	.	H	α-helix	trans	-71.5	-43.5	177.9	-153.6	76.1	0	0	0	111.6	Y167 V169 A173 S174 R175	Y167-D171 VanDerWaalsContact O-CB 3.28Å; Y167-D171 WeakPolarHBondContact O-CB 3.38Å; Y167-D171 PolarHBondContact O-N 3.36Å; V169-D171 VanDerWaalsContact C-N 3.32Å; D171-A173 VanDerWaalsContact C-N 3.33Å; D171-A173 PolarHBondContact O-N 2.61Å; D171-S174 PolarHBondContact O-N 2.73Å; D171-R175 WeakPolarHBondContact O-CG 3.27Å; D171-R175 PolarHBondContact O-N 2.75Å; D171-R175 IonicContact OD2-CZ 3.73Å; D171-R175 IonicContact OD2-NE 2.62Å; D171-R175 PolarHBondContact OD2-NE 2.72Å; D171-R175 IonicContact OD2-NH2 2.72Å; D171-R175 PolarHBondContact OD2-NH2 3.3Å
172	I	69.7	Low	63.9	Low	6 Å²	6	78.2 Å²	78.2	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-55.2	-48.5	167.8	-72.3	166.2	0	0	0	110.6	I115 F118 I168 S174 Q176 I189	I115-I172 HydrophobicContact CG1-CD1 4.33Å; F118-I172 HydrophobicContact CB-CD1 3.92Å; F118-I172 HydrophobicContact CD1-CD1 4.28Å; F118-I172 HydrophobicContact CD2-CB 4.31Å; F118-I172 HydrophobicContact CD2-CD1 3.85Å; F118-I172 HydrophobicContact CD2-CG1 3.64Å; F118-I172 HydrophobicContact CD2-CG2 3.76Å; F118-I172 HydrophobicContact CE2-CD1 4.39Å; F118-I172 HydrophobicContact CE2-CG1 3.83Å; F118-I172 HydrophobicContact CE2-CG2 4.42Å; F118-I172 HydrophobicContact CG-CD1 3.77Å; F118-I172 HydrophobicContact CG-CG1 4.1Å; F118-I172 HydrophobicContact CG-CG2 4.5Å; F118-I172 HydrophobicContact CZ-CG1 4.48Å; I168-I172 HydrophobicContact CG2-CD1 3.88Å; I168-I172 WeakPolarHBondContact O-CB 3.34Å; I168-I172 WeakPolarHBondContact O-CD1 3.44Å; I168-I172 WeakPolarHBondContact O-CG1 3.4Å; I168-I172 PolarHBondContact O-N 2.87Å; I172-S174 VanDerWaalsContact C-N 3.29Å; I172-S174 PolarHBondContact O-N 3.33Å; I172-Q176 HydrophobicContact CG2-CG 4.48Å; I172-Q176 VanDerWaalsContact O-CB 3.28Å; I172-Q176 WeakPolarHBondContact O-CB 3.28Å; I172-Q176 WeakPolarHBondContact O-CG 3.18Å; I172-Q176 PolarHBondContact O-N 3.08Å; I172-I189 HydrophobicContact CG1-CG2 4.36Å
173	A	72.6	Confident	63.8	Low	32 Å²	32	82.7 Å²	82.7	26%	0.264	40%	0.4	S	S	.	.	H	α-helix	trans	-70.3	-23.2	-179.7	0	0	0	0	0	113.2	V169 D170 D171 R177	V169-A173 WeakPolarHBondContact O-CB 3.45Å; V169-A173 PolarHBondContact O-N 3.24Å; D170-A173 CarbonylContact O-C 3.55Å; D170-A173 PolarHBondContact O-N 2.98Å; D171-A173 VanDerWaalsContact C-N 3.33Å; D171-A173 PolarHBondContact O-N 2.61Å; A173-R177 PolarHBondContact O-N 2.7Å; A173-R177 PolarHBondContact O-NE 3.08Å; A173-R177 PolarHBondContact O-NH2 3.15Å
174	S	66.5	Low	64.1	Low	50 Å²	50	84.8 Å²	84.8	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-74.3	-58.2	172.4	-164.5	0	0	0	0	110.3	D170 D171 I172 Q176 R177 E178	D170-S174 VanDerWaalsContact O-CB 3.3Å; D170-S174 WeakPolarHBondContact O-CB 3.29Å; D170-S174 PolarHBondContact O-N 3.46Å; D171-S174 PolarHBondContact O-N 2.73Å; I172-S174 VanDerWaalsContact C-N 3.29Å; I172-S174 PolarHBondContact O-N 3.33Å; S174-Q176 PolarHBondContact O-N 3.37Å; S174-Q176 VanDerWaalsContact O-N 3.16Å; S174-R177 WeakPolarHBondContact O-CA 3.47Å; S174-R177 WeakPolarHBondContact O-CB 3.08Å; S174-R177 PolarHBondContact O-N 3.01Å; S174-E178 PolarHBondContact O-N 3.3Å
175	R	64.6	Low	64	Low	37 Å²	37	82.1 Å²	82.1	14%	0.14	40%	0.404	C	S	.	.	H	α-helix	trans	-67.3	-19.2	-177.4	-54.6	-166.1	-144.7	-164	15.3	113.2	D171 M181 D185	D171-R175 WeakPolarHBondContact O-CG 3.27Å; D171-R175 PolarHBondContact O-N 2.75Å; D171-R175 IonicContact OD2-CZ 3.73Å; D171-R175 IonicContact OD2-NE 2.62Å; D171-R175 PolarHBondContact OD2-NE 2.72Å; D171-R175 IonicContact OD2-NH2 2.72Å; D171-R175 PolarHBondContact OD2-NH2 3.3Å; R175-M181 HydrophobicContact CB-CB 4.44Å; R175-M181 HydrophobicContact CB-CG 3.94Å; R175-M181 HydrophobicContact CB-SD 4.02Å; R175-D185 IonicContact CZ-OD1 3.78Å; R175-D185 IonicContact NH1-OD1 3.21Å; R175-D185 PolarHBondContact NH1-OD1 2.79Å
176	Q	69.5	Low	64	Low	114 Å²	114	86.2 Å²	86.2	53%	0.533	42%	0.418	S	S	.	.	H	α-helix	trans	-72.8	-37.5	165.4	-77.4	178.6	8.3	0	0	113.6	I172 S174 E178 G179	I172-Q176 HydrophobicContact CG2-CG 4.48Å; I172-Q176 VanDerWaalsContact O-CB 3.28Å; I172-Q176 WeakPolarHBondContact O-CB 3.28Å; I172-Q176 WeakPolarHBondContact O-CG 3.18Å; I172-Q176 PolarHBondContact O-N 3.08Å; S174-Q176 PolarHBondContact O-N 3.37Å; S174-Q176 VanDerWaalsContact O-N 3.16Å; Q176-E178 VanDerWaalsContact C-N 3.29Å; Q176-E178 PolarHBondContact O-N 3.03Å; Q176-G179 PolarHBondContact O-N 2.75Å
177	R	63.6	Low	63.8	Low	189 Å²	189	85 Å²	85	71%	0.713	42%	0.418	S	S	*	.	H	α-helix	trans	-68.7	-26.9	177.3	-88.1	175.8	-75.5	176.9	-3.2	112.9	A173 S174 G179	A173-R177 PolarHBondContact O-N 2.7Å; A173-R177 PolarHBondContact O-NE 3.08Å; A173-R177 PolarHBondContact O-NH2 3.15Å; S174-R177 WeakPolarHBondContact O-CA 3.47Å; S174-R177 WeakPolarHBondContact O-CB 3.08Å; S174-R177 PolarHBondContact O-N 3.01Å; R177-G179 PolarHBondContact O-N 3.27Å
178	E	59.8	Low	63.5	Low	142 Å²	142	80.1 Å²	80.1	66%	0.664	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-2.3	175.7	-64.4	-179.1	141.1	0	0	113.6	S174 Q176 R180	S174-E178 PolarHBondContact O-N 3.3Å; Q176-E178 VanDerWaalsContact C-N 3.29Å; Q176-E178 PolarHBondContact O-N 3.03Å; E178-R180 PolarHBondContact O-N 2.85Å
179	G	49.1	Very low	63.4	Low	64 Å²	64	79.8 Å²	79.8	66%	0.66	40%	0.403	S	S	*	.	S	Bend	trans	74.9	-16.3	167.3	0	0	0	0	0	116.2	Q176 R177	Q176-G179 PolarHBondContact O-N 2.75Å; R177-G179 PolarHBondContact O-N 3.27Å
180	R	51.7	Low	62.9	Low	210 Å²	210	80.8 Å²	80.8	79%	0.792	41%	0.408	S	S	*	.			trans	-142.5	96.9	169.4	-70.2	-172.7	-177.7	140.6	2.2	111.2	E178 N182	E178-R180 PolarHBondContact O-N 2.85Å; R180-N182 PolarHBondContact O-N 3.16Å
181	M	60.8	Low	62.5	Low	27 Å²	27	79.8 Å²	79.8	13%	0.133	40%	0.402	C	S	.	.			trans	-77.3	109.3	168.4	-168.2	172	77.1	0	0	109.5	F118 R175 D185 R186 I189	F118-M181 HydrophobicContact CD2-CE 4.33Å; F118-M181 HydrophobicContact CE2-CE 3.34Å; F118-M181 HydrophobicContact CE2-SD 3.74Å; F118-M181 HydrophobicContact CZ-CE 3.77Å; F118-M181 HydrophobicContact CZ-SD 4.33Å; R175-M181 HydrophobicContact CB-CB 4.44Å; R175-M181 HydrophobicContact CB-CG 3.94Å; R175-M181 HydrophobicContact CB-SD 4.02Å; M181-D185 HydrophobicContact CG-CB 3.79Å; M181-R186 HydrophobicContact CE-CG 3.49Å; M181-R186 VanDerWaalsContact CE-CG 3.49Å; M181-R186 HydrophobicContact CG-CG 4.23Å; M181-R186 PolarHBondContact O-NE 3.12Å; M181-R186 PolarHBondContact O-NH2 2.83Å; M181-I189 HydrophobicContact SD-CD1 4.1Å
182	N	61.5	Low	62.4	Low	93 Å²	93	81.3 Å²	81.3	50%	0.497	41%	0.408	S	S	.	.			trans	-71.7	167.6	-171.7	-47.2	-71.6	0	0	0	111.4	R180 I184 D185 R186	R180-N182 PolarHBondContact O-N 3.16Å; N182-I184 VanDerWaalsContact C-N 3.27Å; N182-I184 PolarHBondContact O-N 2.72Å; N182-D185 WeakPolarHBondContact CB-OD2 3Å; N182-D185 PolarHBondContact N-OD2 2.86Å; N182-D185 PolarHBondContact ND2-OD2 2.86Å; N182-D185 PolarHBondContact O-N 3.25Å; N182-R186 WeakPolarHBondContact O-CG 3.46Å; N182-R186 PolarHBondContact O-N 2.87Å
183	E	57	Low	62.1	Low	170 Å²	170	82 Å²	82	79%	0.794	41%	0.41	S	S	*	.	H	α-helix	trans	-63.6	-33.9	179.4	-65.2	-173.8	139	0	0	112.6	R186 A187	E183-R186 PolarHBondContact O-N 3.1Å; E183-A187 WeakPolarHBondContact O-CB 3.49Å; E183-A187 PolarHBondContact O-N 3.16Å
184	I	57.5	Low	61.5	Low	131 Å²	131	84.8 Å²	84.8	67%	0.672	42%	0.416	S	S	*	.	H	α-helix	trans	-65.1	-44	173.6	-60.6	170.8	0	0	0	110.5	N182 R186 A187 V188	N182-I184 VanDerWaalsContact C-N 3.27Å; N182-I184 PolarHBondContact O-N 2.72Å; I184-R186 PolarHBondContact O-N 3.3Å; I184-A187 PolarHBondContact O-N 2.62Å; I184-V188 WeakPolarHBondContact O-CG2 3.15Å; I184-V188 PolarHBondContact O-N 2.96Å
185	D	57.5	Low	61.2	Low	34 Å²	34	89.1 Å²	89.1	18%	0.182	43%	0.431	C	S	.	.	H	α-helix	trans	-64.6	-40.3	178.4	-63.4	-65.3	0	0	0	112.3	R175 M181 N182 I189	R175-D185 IonicContact CZ-OD1 3.78Å; R175-D185 IonicContact NH1-OD1 3.21Å; R175-D185 PolarHBondContact NH1-OD1 2.79Å; M181-D185 HydrophobicContact CG-CB 3.79Å; N182-D185 WeakPolarHBondContact CB-OD2 3Å; N182-D185 PolarHBondContact N-OD2 2.86Å; N182-D185 PolarHBondContact ND2-OD2 2.86Å; N182-D185 PolarHBondContact O-N 3.25Å; D185-I189 WeakPolarHBondContact O-CG1 3.26Å; D185-I189 PolarHBondContact O-N 2.92Å; D185-I189 VanDerWaalsContact O-N 3.12Å
186	R	64.4	Low	60.9	Low	99 Å²	99	89 Å²	89	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-59.8	-48.1	171.1	-69.8	166.2	-165.1	-111.4	11	110.7	N122 M181 N182 E183 I184 I190	N122-R186 PolarHBondContact OD1-NH1 2.76Å; M181-R186 HydrophobicContact CE-CG 3.49Å; M181-R186 VanDerWaalsContact CE-CG 3.49Å; M181-R186 HydrophobicContact CG-CG 4.23Å; M181-R186 PolarHBondContact O-NE 3.12Å; M181-R186 PolarHBondContact O-NH2 2.83Å; N182-R186 WeakPolarHBondContact O-CG 3.46Å; N182-R186 PolarHBondContact O-N 2.87Å; E183-R186 PolarHBondContact O-N 3.1Å; I184-R186 PolarHBondContact O-N 3.3Å; R186-I190 HydrophobicContact CB-CD1 4.45Å; R186-I190 WeakPolarHBondContact O-CB 3.46Å; R186-I190 WeakPolarHBondContact O-CD1 3.25Å; R186-I190 WeakPolarHBondContact O-CG1 3.26Å; R186-I190 PolarHBondContact O-N 2.9Å
187	A	61.4	Low	60	Low	45 Å²	45	85.8 Å²	85.8	37%	0.372	42%	0.419	S	S	.	.	H	α-helix	trans	-60.9	-44.7	-179.5	0	0	0	0	0	111.8	E183 I184 I190 D191	E183-A187 WeakPolarHBondContact O-CB 3.49Å; E183-A187 PolarHBondContact O-N 3.16Å; I184-A187 PolarHBondContact O-N 2.62Å; A187-I190 PolarHBondContact O-N 2.86Å; A187-D191 VanDerWaalsContact O-CB 3.31Å; A187-D191 WeakPolarHBondContact O-CB 3.47Å; A187-D191 PolarHBondContact O-N 3.42Å
188	V	64.4	Low	59.4	Low	57 Å²	57	80.8 Å²	80.8	35%	0.345	41%	0.409	S	S	.	.	H	α-helix	trans	-61.3	-53	177.6	171.2	0	0	0	0	111.7	I184 I190 D191 E192	I184-V188 WeakPolarHBondContact O-CG2 3.15Å; I184-V188 PolarHBondContact O-N 2.96Å; V188-I190 PolarHBondContact O-N 2.87Å; V188-D191 PolarHBondContact O-N 3.47Å; V188-D191 VanDerWaalsContact O-N 3.12Å; V188-E192 PolarHBondContact O-N 2.97Å
189	I	64.7	Low	58.7	Low	6 Å²	6	78.6 Å²	78.6	3%	0.031	40%	0.402	C	S	.	.	H	α-helix	trans	-62.4	-36.3	179.7	-62.8	169.3	0	0	0	110.7	F118 I172 M181 D185 F193	F118-I189 HydrophobicContact CE1-CB 4.39Å; F118-I189 HydrophobicContact CE1-CG2 3.64Å; F118-I189 HydrophobicContact CE2-CD1 4.28Å; F118-I189 HydrophobicContact CE2-CG2 4.31Å; F118-I189 HydrophobicContact CZ-CB 3.95Å; F118-I189 HydrophobicContact CZ-CD1 4.13Å; F118-I189 HydrophobicContact CZ-CG2 3.51Å; I172-I189 HydrophobicContact CG1-CG2 4.36Å; M181-I189 HydrophobicContact SD-CD1 4.1Å; D185-I189 WeakPolarHBondContact O-CG1 3.26Å; D185-I189 PolarHBondContact O-N 2.92Å; D185-I189 VanDerWaalsContact O-N 3.12Å; I189-F193 WeakPolarHBondContact O-CB 3.35Å; I189-F193 PolarHBondContact O-N 2.8Å; I189-F193 VanDerWaalsContact O-N 3.12Å
190	I	65	Low	58.3	Low	36 Å²	36	78 Å²	78	19%	0.185	38%	0.384	C	S	.	.	H	α-helix	trans	-70.3	-35.4	176.6	-71.9	168.5	0	0	0	111.7	F118 I124 R186 A187 V188 F193 K194	F118-I190 HydrophobicContact CE1-CG1 4.39Å; I124-I190 HydrophobicContact CD1-CD1 3.85Å; I124-I190 HydrophobicContact CD1-CG1 3.89Å; R186-I190 HydrophobicContact CB-CD1 4.45Å; R186-I190 WeakPolarHBondContact O-CB 3.46Å; R186-I190 WeakPolarHBondContact O-CD1 3.25Å; R186-I190 WeakPolarHBondContact O-CG1 3.26Å; R186-I190 PolarHBondContact O-N 2.9Å; A187-I190 PolarHBondContact O-N 2.86Å; V188-I190 PolarHBondContact O-N 2.87Å; I190-F193 CarbonylContact O-C 3.52Å; I190-F193 WeakPolarHBondContact O-CB 3.46Å; I190-F193 PolarHBondContact O-N 3.22Å; I190-K194 WeakPolarHBondContact O-CG 3.43Å; I190-K194 PolarHBondContact O-N 3.29Å
191	D	64	Low	57.7	Low	76 Å²	76	74.1 Å²	74.1	41%	0.406	37%	0.374	S	S	.	.	H	α-helix	trans	-76.8	-38.8	-180	-78.5	0.7	0	0	0	112.1	A187 V188 F193 K194 E195	A187-D191 VanDerWaalsContact O-CB 3.31Å; A187-D191 WeakPolarHBondContact O-CB 3.47Å; A187-D191 PolarHBondContact O-N 3.42Å; V188-D191 PolarHBondContact O-N 3.47Å; V188-D191 VanDerWaalsContact O-N 3.12Å; D191-F193 PolarHBondContact O-N 3.03Å; D191-K194 CarbonylContact O-C 3.57Å; D191-K194 WeakPolarHBondContact O-CA 3.19Å; D191-K194 WeakPolarHBondContact O-CB 3.32Å; D191-K194 PolarHBondContact O-N 3.44Å; D191-K194 WeakPolarHBondContact OD1-CD 3.3Å; D191-K194 WeakPolarHBondContact OD1-CE 3.49Å; D191-K194 IonicContact OD1-NZ 2.69Å; D191-K194 PolarHBondContact OD1-NZ 3.31Å; D191-E195 PolarHBondContact O-N 2.98Å
192	E	64.5	Low	56.6	Low	90 Å²	90	76.4 Å²	76.4	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-56.2	-41.7	165.8	-70.9	177.7	173.1	0	0	110.7	V188 K194 E195 I196	V188-E192 PolarHBondContact O-N 2.97Å; E192-K194 VanDerWaalsContact C-N 3.32Å; E192-K194 PolarHBondContact O-N 2.93Å; E192-E195 PolarHBondContact O-N 3.29Å; E192-I196 WeakPolarHBondContact O-CG1 3.29Å; E192-I196 PolarHBondContact O-N 2.94Å
193	F	63.3	Low	55.6	Low	21 Å²	21	79.3 Å²	79.3	9%	0.092	41%	0.406	C	S	.	.	H	α-helix	trans	-68.7	-28.8	174.7	-143.4	-95.4	0	0	0	113.2	V2 I115 L119 I189 I190 D191 L197	V2-F193 HydrophobicContact CB-CZ 4.46Å; V2-F193 HydrophobicContact CG1-CZ 3.84Å; V2-F193 HydrophobicContact CG2-CE1 3.8Å; V2-F193 HydrophobicContact CG2-CZ 3.77Å; I115-F193 HydrophobicContact CG2-CD2 4.33Å; I115-F193 HydrophobicContact CG2-CE2 3.39Å; I115-F193 HydrophobicContact CG2-CZ 3.5Å; L119-F193 HydrophobicContact CD1-CD1 4.48Å; L119-F193 HydrophobicContact CD1-CE1 3.81Å; L119-F193 HydrophobicContact CD1-CZ 4.13Å; L119-F193 HydrophobicContact CD2-CD1 4.02Å; L119-F193 HydrophobicContact CD2-CE1 4.17Å; I189-F193 WeakPolarHBondContact O-CB 3.35Å; I189-F193 PolarHBondContact O-N 2.8Å; I189-F193 VanDerWaalsContact O-N 3.12Å; I190-F193 CarbonylContact O-C 3.52Å; I190-F193 WeakPolarHBondContact O-CB 3.46Å; I190-F193 PolarHBondContact O-N 3.22Å; D191-F193 PolarHBondContact O-N 3.03Å; F193-L197 HydrophobicContact CD1-CD1 3.74Å; F193-L197 HydrophobicContact CD1-CG 4.33Å; F193-L197 HydrophobicContact CE1-CD1 4.07Å; F193-L197 HydrophobicContact CE1-CG 4.48Å; F193-L197 WeakPolarHBondContact O-CB 3.46Å; F193-L197 WeakPolarHBondContact O-CD1 3.28Å; F193-L197 VanDerWaalsContact O-CG 3.23Å; F193-L197 WeakPolarHBondContact O-CG 3.25Å; F193-L197 PolarHBondContact O-N 2.78Å
194	K	60	Low	54.4	Low	89 Å²	89	76.4 Å²	76.4	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-73	-40.1	172.1	-75.2	172.9	-162.9	150.9	0	111.9	I190 D191 E192 I196 L197 V198	I190-K194 WeakPolarHBondContact O-CG 3.43Å; I190-K194 PolarHBondContact O-N 3.29Å; D191-K194 CarbonylContact O-C 3.57Å; D191-K194 WeakPolarHBondContact O-CA 3.19Å; D191-K194 WeakPolarHBondContact O-CB 3.32Å; D191-K194 PolarHBondContact O-N 3.44Å; D191-K194 WeakPolarHBondContact OD1-CD 3.3Å; D191-K194 WeakPolarHBondContact OD1-CE 3.49Å; D191-K194 IonicContact OD1-NZ 2.69Å; D191-K194 PolarHBondContact OD1-NZ 3.31Å; E192-K194 VanDerWaalsContact C-N 3.32Å; E192-K194 PolarHBondContact O-N 2.93Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 2.9Å; K194-L197 CarbonylContact O-C 3.43Å; K194-L197 WeakPolarHBondContact O-CA 3.4Å; K194-L197 PolarHBondContact O-N 2.81Å; K194-V198 WeakPolarHBondContact O-CB 3.11Å; K194-V198 WeakPolarHBondContact O-CG2 3.42Å; K194-V198 PolarHBondContact O-N 2.8Å
195	E	60.1	Low	53.3	Low	141 Å²	141	77.7 Å²	77.7	66%	0.659	40%	0.404	S	S	*	.	H	α-helix	trans	-59.1	-44.1	175.8	-70.3	-167	147.8	0	0	110.6	D191 E192 L197 V198 N199	D191-E195 PolarHBondContact O-N 2.98Å; E192-E195 PolarHBondContact O-N 3.29Å; E195-L197 PolarHBondContact O-N 3.09Å; E195-V198 PolarHBondContact O-N 2.86Å; E195-N199 PolarHBondContact O-N 2.91Å; E195-N199 PolarHBondContact O-ND2 3.09Å
196	I	58.6	Low	52.1	Low	34 Å²	34	85.1 Å²	85.1	17%	0.174	44%	0.435	C	S	.	.	H	α-helix	trans	-60	-27.9	173	-64.7	166.9	0	0	0	112.3	M164 I168 E192 K194 L200	M164-I196 HydrophobicContact CE-CD1 4.14Å; I168-I196 HydrophobicContact CD1-CD1 3.86Å; E192-I196 WeakPolarHBondContact O-CG1 3.29Å; E192-I196 PolarHBondContact O-N 2.94Å; K194-I196 VanDerWaalsContact C-N 3.28Å; K194-I196 PolarHBondContact O-N 2.9Å; I196-L200 WeakPolarHBondContact O-CD1 3.39Å
197	L	52.4	Low	50.4	Low	47 Å²	47	87.6 Å²	87.6	25%	0.246	46%	0.455	C	S	.	.	H	α-helix	trans	-94.3	-24.7	178.9	-73	169.7	0	0	0	114.9	F127 F193 K194 E195 L200	F127-L197 HydrophobicContact CE1-CD1 3.95Å; F193-L197 HydrophobicContact CD1-CD1 3.74Å; F193-L197 HydrophobicContact CD1-CG 4.33Å; F193-L197 HydrophobicContact CE1-CD1 4.07Å; F193-L197 HydrophobicContact CE1-CG 4.48Å; F193-L197 WeakPolarHBondContact O-CB 3.46Å; F193-L197 WeakPolarHBondContact O-CD1 3.28Å; F193-L197 VanDerWaalsContact O-CG 3.23Å; F193-L197 WeakPolarHBondContact O-CG 3.25Å; F193-L197 PolarHBondContact O-N 2.78Å; K194-L197 CarbonylContact O-C 3.43Å; K194-L197 WeakPolarHBondContact O-CA 3.4Å; K194-L197 PolarHBondContact O-N 2.81Å; E195-L197 PolarHBondContact O-N 3.09Å; L197-L200 HydrophobicContact CD2-CD1 4.17Å; L197-L200 WeakPolarHBondContact O-CB 3.39Å; L197-L200 PolarHBondContact O-N 2.84Å
198	V	50.7	Low	48.8	Very low	84 Å²	84	91.7 Å²	91.7	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-79	-35.9	178.3	168.3	0	0	0	0	110.2	K194 E195 L200 Q201 A202	K194-V198 WeakPolarHBondContact O-CB 3.11Å; K194-V198 WeakPolarHBondContact O-CG2 3.42Å; K194-V198 PolarHBondContact O-N 2.8Å; E195-V198 PolarHBondContact O-N 2.86Å; V198-L200 PolarHBondContact O-N 2.92Å; V198-Q201 PolarHBondContact O-N 2.84Å; V198-A202 PolarHBondContact O-N 3.43Å
199	N	45.3	Very low	47	Very low	96 Å²	96	96 Å²	96	51%	0.513	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	168	-68.1	-19.3	0	0	0	112.2	E195	E195-N199 PolarHBondContact O-N 2.91Å; E195-N199 PolarHBondContact O-ND2 3.09Å
200	L	39.1	Very low	45.5	Very low	52 Å²	52	105.3 Å²	105.3	27%	0.272	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.1	173.7	-80.3	164.2	0	0	0	114.8	M1 L158 I196 L197 V198	M1-L200 HydrophobicContact CE-CD1 3.87Å; M1-L200 HydrophobicContact CE-CD2 3.82Å; M1-L200 HydrophobicContact CG-CD1 4.48Å; M1-L200 HydrophobicContact SD-CD1 4.17Å; M1-L200 HydrophobicContact SD-CD2 4.17Å; L158-L200 HydrophobicContact CD1-CD2 3.84Å; I196-L200 WeakPolarHBondContact O-CD1 3.39Å; L197-L200 HydrophobicContact CD2-CD1 4.17Å; L197-L200 WeakPolarHBondContact O-CB 3.39Å; L197-L200 PolarHBondContact O-N 2.84Å; V198-L200 PolarHBondContact O-N 2.92Å
201	Q	39.5	Very low	43.6	Very low	128 Å²	128	108.6 Å²	108.6	60%	0.598	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-19.7	179.2	-63.8	-161.5	-74.5	0	0	114.5	V198 F203	V198-Q201 PolarHBondContact O-N 2.84Å; Q201-F203 PolarHBondContact O-N 3.03Å
202	A	38.4	Very low	42	Very low	76 Å²	76	113.7 Å²	113.7	63%	0.628	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	4.7	-169.9	0	0	0	0	0	116.5	V198	V198-A202 PolarHBondContact O-N 3.43Å
203	F	39.3	Very low	40.1	Very low	153 Å²	153	116 Å²	116	67%	0.671	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-13.6	-172.6	-87.2	-79.1	0	0	0	116	Q201	Q201-F203 PolarHBondContact O-N 3.03Å
204	D	33.5	Very low	38.3	Very low	109 Å²	109	120.4 Å²	120.4	58%	0.583	63%	0.631	S	S	*	*	S	Bend	trans	-82.7	-14	-174.7	-76.2	-36.3	0	0	0	114.5	K155	K155-D204 IonicContact NZ-OD1 2.69Å; K155-D204 PolarHBondContact NZ-OD1 2.84Å; K155-D204 IonicContact NZ-OD2 3.9Å; K155-D204 PolarHBondContact NZ-OD2 3.09Å
205	D	33.4	Very low	36.7	Very low	158 Å²	158	122.3 Å²	122.3	85%	0.845	65%	0.645	S	S	*	*	S	Bend	trans	-104.4	19.7	-166.1	-87.9	-31.6	0	0	0	116.4
206	K	31.3	Very low	35.2	Very low	191 Å²	191	122 Å²	122	83%	0.83	65%	0.648	S	S	*	*			trans	-127.2	64.3	-176.9	-73	-172.1	178.6	174.8	0	115.7
207	L	28.7	Very low	33.8	Very low	150 Å²	150	128.1 Å²	128.1	79%	0.785	67%	0.673	S	S	*	*			trans	-114.9	113.2	163.9	-91.3	164.1	0	0	0	111	L209	L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 2.86Å
208	P	29.3	Very low	32.6	Very low	131 Å²	131	133.2 Å²	133.2	85%	0.851	70%	0.696	S	S	*	*			trans	-80.1	72.1	-178.8	33	-35.3	0	0	0	111.7	K210	P208-K210 PolarHBondContact O-N 3.37Å
209	L	26.6	Very low	31.5	Very low	147 Å²	147	136.9 Å²	136.9	77%	0.77	71%	0.707	S	S	*	*			trans	-93.3	88.6	-176.6	-133.1	169.6	0	0	0	111.6	L207	L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 2.86Å
210	K	31.9	Very low	30.6	Very low	202 Å²	202	136.4 Å²	136.4	88%	0.878	71%	0.711	S	S	*	*			trans	-154.7	96.5	159.2	-117.7	165.6	-169	172.6	0	112.3	P208	P208-K210 PolarHBondContact O-N 3.37Å
211	S	25.5	Very low	30	Very low	106 Å²	106	142 Å²	142	74%	0.741	74%	0.74	S	S	*	*			trans	-66.2	138.5	157.1	45.8	0	0	0	0	109.9
212	L	29.6	Very low	29.2	Very low	183 Å²	183	142.6 Å²	142.6	96%	0.958	75%	0.748	S	S	*	*			trans	-152.5	158.5	139.1	-137	77.1	0	0	0	109.3
213	N	25.3	Very low	28.8	Very low	137 Å²	137	144.9 Å²	144.9	73%	0.733	75%	0.754	S	S	*	*			trans	-108.8	170.1	-158.4	-152.4	-2.3	0	0	0	112.8
214	N	26.5	Very low	28.1	Very low	115 Å²	115	144.1 Å²	144.1	62%	0.615	76%	0.756	S	S	*	*			trans	74	112.3	158.4	-62.7	-30.5	0	0	0	120.8
215	N	25.9	Very low	27.7	Very low	128 Å²	128	146 Å²	146	68%	0.684	77%	0.767	S	S	*	*				60.1	106.8	121	-49.4	-24.9	0	0	0	120
216	N	28	Very low	27.4	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	76%	0.758	S	S	*	*				178.7	144.8	90.5	-99.4	-75.8	0	0	0	114
217	K	29.8	Very low	27.3	Very low	162 Å²	162	141.4 Å²	141.4	70%	0.704	76%	0.755	S	S	*	*			trans	60	119.1	146.4	-66.3	-176.6	-178.3	-179.8	0	118.6
218	Q	26.7	Very low	27.5	Very low	155 Å²	155	139.2 Å²	139.2	72%	0.724	75%	0.752	S	S	*	*				61.5	132	94.6	-64.1	170.6	-42	0	0	113.6
219	H	29	Very low	27.7	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.745	75%	0.75	S	S	*	*			cis	-142.5	162	21.9	-124.7	-74.5	0	0	0	113.6
220	S	24.9	Very low	28.2	Very low	85 Å²	85	138.6 Å²	138.6	59%	0.594	74%	0.742	S	S	*	*			trans	-56.9	154.2	162.8	54.6	0	0	0	0	114.4
221	L	27	Very low	28.4	Very low	169 Å²	169	136 Å²	136	89%	0.885	73%	0.731	S	S	*	*				-166.2	170.6	117.3	-105	167.1	0	0	0	113.2
222	N	23.6	Very low	28.9	Very low	142 Å²	142	137.7 Å²	137.7	76%	0.759	73%	0.731	S	S	*	*			trans	-125.8	-166.5	-173	-172.4	5.7	0	0	0	108.8
223	V	28.3	Very low	29.3	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	73%	0.726	S	S	*	*			trans	104	146.9	164.2	-173.8	0	0	0	0	116.1
224	N	25	Very low	29.8	Very low	137 Å²	137	135.1 Å²	135.1	73%	0.733	72%	0.724	S	S	*	*			trans	-93.8	175.1	-168.6	-50.9	-70.2	0	0	0	114
225	N	25.3	Very low	30.2	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	73%	0.732	S	S	*	*			trans	80.4	121.9	144	-82.6	1.2	0	0	0	121.9
226	V	26.6	Very low	30.7	Very low	110 Å²	110	139 Å²	139	67%	0.667	73%	0.728	S	S	*	*				83.5	108.5	124.3	175	0	0	0	0	120.2
227	N	29	Very low	31	Very low	142 Å²	142	138.3 Å²	138.3	76%	0.759	73%	0.725	S	S	*	*			trans	72.8	128.8	138.6	-68.2	2.9	0	0	0	124.7
228	S	33.6	Very low	31.1	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	73%	0.726	S	S	*	*				85.6	124.7	126.2	68.2	0	0	0	0	122.1
229	L	33.6	Very low	31.5	Very low	154 Å²	154	135.5 Å²	135.5	81%	0.806	73%	0.726	S	S	*	*			trans	173.1	146.6	130.5	-111.3	63.5	0	0	0	104.7
230	D	36.2	Very low	31.6	Very low	111 Å²	111	135.3 Å²	135.3	59%	0.594	73%	0.73	S	S	*	*			cis	-162	-174.9	14.4	-146.8	1	0	0	0	107.1
231	K	37.4	Very low	32	Very low	149 Å²	149	134.8 Å²	134.8	65%	0.648	74%	0.738	S	S	*	*			cis	-162.2	128.4	2.2	-158.6	172.7	-156.6	91.7	0	111.1
232	N	35.5	Very low	32.1	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	73%	0.731	S	S	*	*			trans	63.3	158.7	162.9	-59.1	-16.8	0	0	0	118.4
233	T	37.5	Very low	32.6	Very low	139 Å²	139	132 Å²	132	85%	0.853	72%	0.724	S	S	*	*			cis	-125.8	-179.3	12.7	45.2	0	0	0	0	114.5
234	N	36.1	Very low	32.8	Very low	128 Å²	128	131.8 Å²	131.8	68%	0.684	72%	0.719	S	S	*	*			trans	-99.6	150.4	-161.6	-84.4	-58.7	0	0	0	116.3
235	R	34.5	Very low	33.1	Very low	207 Å²	207	132.5 Å²	132.5	78%	0.781	72%	0.723	S	S	*	*			trans	65.9	153.5	137.7	-69.2	178.1	-174.4	178.2	0.4	119
236	D	37.4	Very low	33.4	Very low	116 Å²	116	129 Å²	129	62%	0.62	72%	0.721	S	S	*	*			cis	-160.4	163.3	-5	-111.3	-19.1	0	0	0	112.2
237	N	34.4	Very low	33.4	Very low	122 Å²	122	129.4 Å²	129.4	65%	0.652	73%	0.728	S	S	*	*			trans	61.7	98	143.5	-66.4	-23.1	0	0	0	124.5
238	T	30.8	Very low	33.2	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.724	73%	0.726	S	S	*	*				64.3	149.5	115.9	53.7	0	0	0	0	126.2
239	I	35.3	Very low	33	Very low	140 Å²	140	129.2 Å²	129.2	72%	0.718	73%	0.732	S	S	*	*			trans	100.4	107.3	142.7	-79.8	153.7	0	0	0	121.3
240	N	31	Very low	32.9	Very low	157 Å²	157	129 Å²	129	84%	0.84	73%	0.731	S	S	*	*			trans	50.6	146.3	136.9	-53.5	-12.7	0	0	0	125
241	G	33.1	Very low	32.8	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	74%	0.742	S	S	*	*			trans	128.4	77.2	161.2	0	0	0	0	0	113.8
242	N	30.3	Very low	32.5	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	75%	0.745	S	S	*	*			cis	87.4	136.6	46.5	-161.8	31.1	0	0	0	114.5
243	N	33.2	Very low	32.3	Very low	116 Å²	116	127.4 Å²	127.4	62%	0.62	75%	0.748	S	S	*	*			trans	69.6	152.4	175.3	-54.8	-37.6	0	0	0	117.9
244	N	32.9	Very low	32.2	Very low	120 Å²	120	126.8 Å²	126.8	64%	0.642	75%	0.745	S	S	*	*			cis	-168.3	152.8	-25.7	-103.2	-19	0	0	0	112.7
245	N	32	Very low	32.2	Very low	152 Å²	152	127 Å²	127	81%	0.813	75%	0.751	S	S	*	*			trans	62	153.3	146.2	-61	-17.1	0	0	0	123.5
246	G	31.2	Very low	32.2	Very low	74 Å²	74	124.3 Å²	124.3	76%	0.763	75%	0.752	S	S	*	*			trans	86.2	109.2	163.5	0	0	0	0	0	114.5
247	C	25.6	Very low	32.1	Very low	120 Å²	120	123.7 Å²	123.7	81%	0.811	75%	0.754	S	S	*	*			cis	74.9	105.5	29.8	-156	0	0	0	0	116.1
248	S	26.3	Very low	32	Very low	101 Å²	101	129 Å²	129	71%	0.706	77%	0.765	S	S	*	*			trans	77.3	151.8	158.1	79.9	0	0	0	0	120.6
249	T	29.4	Very low	32	Very low	140 Å²	140	128.2 Å²	128.2	86%	0.859	76%	0.764	S	S	*	*			trans	80.6	142.3	166.1	63.9	0	0	0	0	121.2
250	L	30.3	Very low	32	Very low	150 Å²	150	125.7 Å²	125.7	79%	0.785	76%	0.759	S	S	*	*			trans	-75.9	163.1	174	-91.8	155.3	0	0	0	110.7
251	P	33.9	Very low	32	Very low	127 Å²	127	124.9 Å²	124.9	83%	0.825	76%	0.76	S	S	*	*				-151.8	-172.9	61.9	41.8	-19.9	0	0	0	118.2
252	C	31.1	Very low	32.1	Very low	106 Å²	106	126.8 Å²	126.8	72%	0.716	76%	0.759	S	S	*	*			trans	-99.8	158.7	-172.5	-38.2	0	0	0	0	114.2
253	T	33	Very low	31.9	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	76%	0.758	S	S	*	*			trans	-164.5	147.8	149	28.3	0	0	0	0	107
254	T	35.2	Very low	31.7	Very low	127 Å²	127	125.9 Å²	125.9	78%	0.779	77%	0.767	S	S	*	*			cis	-154.9	160.6	-6.3	29	0	0	0	0	106.1
255	T	35.5	Very low	31.5	Very low	133 Å²	133	127.3 Å²	127.3	82%	0.816	77%	0.773	S	S	*	*			cis	-139.6	147	26.3	42.9	0	0	0	0	114.7
256	N	33.5	Very low	31.3	Very low	150 Å²	150	125.5 Å²	125.5	80%	0.802	77%	0.772	S	S	*	*			trans	-45	176.8	164.1	-90.8	-33.5	0	0	0	118.8
257	P	36.4	Very low	31.5	Very low	102 Å²	102	127.2 Å²	127.2	66%	0.662	77%	0.77	S	S	*	*			cis	-141.2	171.2	-18.8	33.5	-13.1	0	0	0	117.1
258	R	31.5	Very low	31.7	Very low	234 Å²	234	128.3 Å²	128.3	88%	0.883	77%	0.773	S	S	*	*			trans	29.6	145.7	138.5	-61.8	173.2	175.9	172.5	-3.4	121.3
259	S	31.9	Very low	31.7	Very low	101 Å²	101	130.9 Å²	130.9	71%	0.706	78%	0.779	S	S	*	*			cis	-174.2	-159.3	-10.9	54.5	0	0	0	0	107.2
260	S	34.7	Very low	31.6	Very low	87 Å²	87	129 Å²	129	61%	0.608	77%	0.771	S	S	*	*			cis	-167.6	152.1	2.9	13.4	0	0	0	0	111.4
261	T	31.6	Very low	31.6	Very low	141 Å²	141	128.5 Å²	128.5	87%	0.865	77%	0.768	S	S	*	*			trans	65.4	158	156.6	45.6	0	0	0	0	121
262	P	34.4	Very low	31.4	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	77%	0.769	S	S	*	*			trans	-133.1	-169.9	-157.6	44.2	-26.8	0	0	0	116.7
263	S	26.9	Very low	31.5	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	78%	0.777	S	S	*	*			trans	91.9	160.7	159.5	82.1	0	0	0	0	118.8
264	T	28.3	Very low	31.6	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	78%	0.776	S	S	*	*			trans	68.6	150.4	-172.8	75.1	0	0	0	0	115.4
265	I	28.8	Very low	31.8	Very low	150 Å²	150	136.6 Å²	136.6	77%	0.769	77%	0.772	S	S	*	*			cis	-167	165.2	-39.7	-113.5	160.3	0	0	0	106.9
266	S	28	Very low	31.9	Very low	114 Å²	114	141.2 Å²	141.2	80%	0.797	77%	0.774	S	S	*	*			trans	74.2	160.5	167	-74.8	0	0	0	0	119.2
267	P	35.2	Very low	32.2	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	77%	0.767	S	S	*	*			trans	-118.5	166.3	-159.4	41.8	-30.5	0	0	0	115
268	T	30	Very low	32.4	Very low	143 Å²	143	142.9 Å²	142.9	88%	0.877	77%	0.766	S	S	*	*			trans	-176.3	171	137.1	18.8	0	0	0	0	112.2
269	N	26.3	Very low	32.9	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	75%	0.745	S	S	*	*			trans	-56.6	156.3	-172.7	-61.2	-39.8	0	0	0	116.7
270	S	27.9	Very low	33.2	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	73%	0.733	S	S	*	*				123	114.9	127.3	-155.4	0	0	0	0	118.2
271	I	30.4	Very low	33.4	Very low	141 Å²	141	130.2 Å²	130.2	72%	0.723	72%	0.723	S	S	*	*			trans	50	108	147	-53.9	166.2	0	0	0	118.8
272	R	29.1	Very low	33.8	Very low	225 Å²	225	124.8 Å²	124.8	85%	0.849	69%	0.69	S	S	*	*				177.8	107.7	128.8	-100.3	161.4	-127.1	-119.8	1.4	112.2
273	H	34	Very low	34.4	Very low	190 Å²	190	127.8 Å²	127.8	88%	0.88	69%	0.687	S	S	*	*			trans	-167.8	18.8	154.2	-100.2	5.7	0	0	0	116.2	G275	H273-G275 VanDerWaalsContact C-N 3.25Å; H273-G275 PolarHBondContact O-N 3.44Å; H273-G275 VanDerWaalsContact O-N 3.15Å
274	F	34.8	Very low	35.3	Very low	182 Å²	182	128.9 Å²	128.9	80%	0.798	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-5.2	-177.8	-86.3	-79.3	0	0	0	116.5	R276 F277	F274-R276 VanDerWaalsContact C-N 3.32Å; F274-R276 PolarHBondContact O-N 2.84Å; F274-R276 VanDerWaalsContact O-N 3.15Å; F274-F277 PolarHBondContact O-N 3.41Å
275	G	38.1	Very low	35.9	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	68%	0.68	S	S	*	*	H	α-helix	trans	-63.2	-23.5	-167.4	0	0	0	0	0	117	H273	H273-G275 VanDerWaalsContact C-N 3.25Å; H273-G275 PolarHBondContact O-N 3.44Å; H273-G275 VanDerWaalsContact O-N 3.15Å
276	R	38.6	Very low	36.4	Very low	229 Å²	229	133 Å²	133	86%	0.864	68%	0.675	S	S	*	*	H	α-helix	trans	-85.8	-26.3	-177.2	-68.8	-174	177	-174.9	-0.3	114.2	F274	F274-R276 VanDerWaalsContact C-N 3.32Å; F274-R276 PolarHBondContact O-N 2.84Å; F274-R276 VanDerWaalsContact O-N 3.15Å
277	F	39	Very low	37	Very low	149 Å²	149	136.4 Å²	136.4	65%	0.654	68%	0.675	S	S	*	*	H	α-helix	trans	-76.3	-36.2	-177.9	-73.8	-84	0	0	0	113	F274 A279 A280 A281	F274-F277 PolarHBondContact O-N 3.41Å; F277-A279 PolarHBondContact O-N 2.84Å; F277-A280 PolarHBondContact O-N 3.34Å; F277-A280 VanDerWaalsContact O-N 3.16Å; F277-A281 PolarHBondContact O-N 2.84Å
278	H	42	Very low	37.3	Very low	138 Å²	138	136.9 Å²	136.9	64%	0.639	68%	0.677	S	S	*	*	H	α-helix	trans	-60.7	-34.2	178.8	-159.2	-76.4	0	0	0	112.1	S282	H278-S282 PolarHBondContact ND1-OG 3.15Å; H278-S282 VanDerWaalsContact O-CB 3.23Å; H278-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 PolarHBondContact O-N 2.91Å; H278-S282 PolarHBondContact O-OG 3.41Å
279	A	40.8	Very low	37.6	Very low	54 Å²	54	133.8 Å²	133.8	45%	0.446	67%	0.666	S	S	.	*	H	α-helix	trans	-66.6	-35.8	178	0	0	0	0	0	113	F277 R283	F277-A279 PolarHBondContact O-N 2.84Å; A279-R283 WeakPolarHBondContact O-CG 3.38Å; A279-R283 PolarHBondContact O-N 3.01Å
280	A	38.9	Very low	37.7	Very low	55 Å²	55	130.4 Å²	130.4	46%	0.455	65%	0.654	S	S	.	*	H	α-helix	trans	-71.1	-49.1	176.7	0	0	0	0	0	111.4	F277 S282 R283 I284	F277-A280 PolarHBondContact O-N 3.34Å; F277-A280 VanDerWaalsContact O-N 3.16Å; A280-S282 PolarHBondContact O-N 3.44Å; A280-R283 PolarHBondContact O-N 2.84Å; A280-I284 PolarHBondContact O-N 3.41Å
281	A	37.6	Very low	38	Very low	48 Å²	48	131.3 Å²	131.3	40%	0.397	66%	0.66	S	S	.	*	H	α-helix	trans	-59.5	-34.8	175	0	0	0	0	0	112.3	F277 R283 R285	F277-A281 PolarHBondContact O-N 2.84Å; A281-R283 VanDerWaalsContact C-N 3.34Å; A281-R283 PolarHBondContact O-N 3.34Å; A281-R285 WeakPolarHBondContact O-CG 3.39Å; A281-R285 PolarHBondContact O-N 2.97Å; A281-R285 VanDerWaalsContact O-N 3.11Å
282	S	40.5	Very low	38.2	Very low	26 Å²	26	132.5 Å²	132.5	18%	0.182	67%	0.667	C	S	.	*	H	α-helix	trans	-70.3	-23.9	175.1	-59.2	0	0	0	0	113.8	H278 A280 R286	H278-S282 PolarHBondContact ND1-OG 3.15Å; H278-S282 VanDerWaalsContact O-CB 3.23Å; H278-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 PolarHBondContact O-N 2.91Å; H278-S282 PolarHBondContact O-OG 3.41Å; A280-S282 PolarHBondContact O-N 3.44Å; S282-R286 WeakPolarHBondContact O-CB 3.12Å; S282-R286 VanDerWaalsContact O-CD 3.27Å; S282-R286 WeakPolarHBondContact O-CD 3.42Å; S282-R286 WeakPolarHBondContact O-CG 3.42Å; S282-R286 PolarHBondContact O-N 2.89Å
283	R	47.6	Very low	38.4	Very low	178 Å²	178	126.5 Å²	126.5	67%	0.672	66%	0.659	S	S	*	*	H	α-helix	trans	-73.7	-47.7	173	-73.5	176.6	-172.2	-161.9	0.7	110.7	A279 A280 A281 R285 R286 F287	A279-R283 WeakPolarHBondContact O-CG 3.38Å; A279-R283 PolarHBondContact O-N 3.01Å; A280-R283 PolarHBondContact O-N 2.84Å; A281-R283 VanDerWaalsContact C-N 3.34Å; A281-R283 PolarHBondContact O-N 3.34Å; R283-R285 VanDerWaalsContact C-N 3.31Å; R283-R285 PolarHBondContact O-N 2.64Å; R283-R286 PolarHBondContact O-N 2.81Å; R283-F287 VanDerWaalsContact O-CD2 3.24Å; R283-F287 WeakPolarHBondContact O-CD2 3.43Å; R283-F287 PolarHBondContact O-N 2.81Å; R283-F287 VanDerWaalsContact O-N 3.17Å
284	I	44.9	Very low	38.2	Very low	123 Å²	123	122 Å²	122	63%	0.631	65%	0.649	S	S	*	*	H	α-helix	trans	-57	-46.4	177.7	-60.5	171.9	0	0	0	110.2	A280 R286 F287	A280-I284 PolarHBondContact O-N 3.41Å; I284-R286 VanDerWaalsContact C-N 3.26Å; I284-R286 PolarHBondContact O-N 3.43Å; I284-F287 PolarHBondContact O-N 2.69Å
285	R	40.9	Very low	38	Very low	190 Å²	190	120.5 Å²	120.5	72%	0.717	65%	0.649	S	S	*	*	H	α-helix	trans	-70.7	-8.9	175.7	-67.5	-178.2	-177.6	-179.3	0.4	115.7	A281 R283 T288 A289	A281-R285 WeakPolarHBondContact O-CG 3.39Å; A281-R285 PolarHBondContact O-N 2.97Å; A281-R285 VanDerWaalsContact O-N 3.11Å; R283-R285 VanDerWaalsContact C-N 3.31Å; R283-R285 PolarHBondContact O-N 2.64Å; R285-T288 PolarHBondContact O-OG1 2.95Å; R285-A289 WeakPolarHBondContact O-CB 3.29Å
286	R	39.9	Very low	37.9	Very low	178 Å²	178	125 Å²	125	67%	0.672	66%	0.657	S	S	*	*	H	α-helix	trans	-94	-32.8	175.9	-80.4	171.2	-167.1	-168.1	2.6	112.4	S282 R283 I284 T288 A289	S282-R286 WeakPolarHBondContact O-CB 3.12Å; S282-R286 VanDerWaalsContact O-CD 3.27Å; S282-R286 WeakPolarHBondContact O-CD 3.42Å; S282-R286 WeakPolarHBondContact O-CG 3.42Å; S282-R286 PolarHBondContact O-N 2.89Å; R283-R286 PolarHBondContact O-N 2.81Å; I284-R286 VanDerWaalsContact C-N 3.26Å; I284-R286 PolarHBondContact O-N 3.43Å; R286-T288 PolarHBondContact O-N 3.03Å; R286-T288 VanDerWaalsContact O-N 3.16Å; R286-A289 PolarHBondContact O-N 2.76Å
287	F	40.8	Very low	37.7	Very low	184 Å²	184	122.5 Å²	122.5	81%	0.807	66%	0.661	S	S	*	*	H	α-helix	trans	-60.9	-20.6	171.5	-75.3	-67.7	0	0	0	113.1	R283 I284	R283-F287 VanDerWaalsContact O-CD2 3.24Å; R283-F287 WeakPolarHBondContact O-CD2 3.43Å; R283-F287 PolarHBondContact O-N 2.81Å; R283-F287 VanDerWaalsContact O-N 3.17Å; I284-F287 PolarHBondContact O-N 2.69Å
288	T	42.2	Very low	37.6	Very low	121 Å²	121	122.8 Å²	122.8	74%	0.742	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	8.6	175.6	60.2	0	0	0	0	114.3	R285 R286	R285-T288 PolarHBondContact O-OG1 2.95Å; R286-T288 PolarHBondContact O-N 3.03Å; R286-T288 VanDerWaalsContact O-N 3.16Å
289	A	34.4	Very low	37.2	Very low	78 Å²	78	122 Å²	122	65%	0.645	68%	0.675	S	S	*	*	S	Bend	trans	-140.6	13.7	-164.8	0	0	0	0	0	115.9	R285 R286	R285-A289 WeakPolarHBondContact O-CB 3.29Å; R286-A289 PolarHBondContact O-N 2.76Å
290	S	30.2	Very low	36.9	Very low	85 Å²	85	127.3 Å²	127.3	59%	0.594	69%	0.694	S	S	*	*	S	Bend	trans	-148.6	133.7	175	56.4	0	0	0	0	112.6
291	S	32.6	Very low	37.1	Very low	117 Å²	117	133.3 Å²	133.3	82%	0.818	71%	0.713	S	S	*	*			trans	54.5	74.7	170.2	64.6	0	0	0	0	117.7
292	I	35.8	Very low	37.5	Very low	167 Å²	167	136.9 Å²	136.9	86%	0.856	73%	0.73	S	S	*	*			trans	-126.4	116.6	139	-60.2	-178.3	0	0	0	107.3
293	S	32.3	Very low	37.7	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	76%	0.758	S	S	*	*			trans	-96.3	131.9	171.4	50.9	0	0	0	0	109.7
294	S	31.3	Very low	38	Very low	95 Å²	95	136.2 Å²	136.2	66%	0.664	76%	0.758	S	S	*	*	S	Bend	trans	46.4	117.3	159	57.8	0	0	0	0	118.5
295	N	30.7	Very low	39	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	75%	0.745	S	S	*	*			trans	70.8	88	164.6	-48.2	-11.1	0	0	0	115.3
296	D	36	Very low	40.4	Very low	160 Å²	160	131 Å²	131	86%	0.856	74%	0.739	S	S	*	*				-164.4	151.1	109	-95.5	-24.7	0	0	0	110.8
297	L	32.7	Very low	41.9	Very low	178 Å²	178	126.6 Å²	126.6	93%	0.932	73%	0.732	S	S	*	*			trans	-94.9	104.3	-174.1	-76.7	164.5	0	0	0	111.2
298	L	37.4	Very low	43	Very low	155 Å²	155	118.4 Å²	118.4	81%	0.812	70%	0.698	S	S	*	*			trans	-119.5	138.3	164.3	-71.6	173.4	0	0	0	109.8
299	P	34.3	Very low	44.4	Very low	120 Å²	120	119.2 Å²	119.2	78%	0.779	69%	0.688	S	S	*	*			trans	-67.9	139.2	179.4	28.6	-34.1	0	0	0	110.8	E301	P299-E301 PolarHBondContact O-N 3.11Å; P299-E301 VanDerWaalsContact O-N 3.14Å
300	I	34.1	Very low	46.5	Very low	167 Å²	167	122.8 Å²	122.8	86%	0.856	69%	0.685	S	S	*	*			trans	-75.7	104.6	-179	-60.3	173.1	0	0	0	108.7	T302	I300-T302 PolarHBondContact O-N 3.19Å
301	E	42.9	Very low	48.7	Very low	181 Å²	181	122.9 Å²	122.9	85%	0.846	68%	0.679	S	S	*	*			trans	-56.2	132.5	171.2	-70.6	-166	136	0	0	110.7	P299 A303	P299-E301 PolarHBondContact O-N 3.11Å; P299-E301 VanDerWaalsContact O-N 3.14Å; E301-A303 PolarHBondContact O-N 3.07Å
302	T	46.6	Very low	50.8	Low	122 Å²	122	118.2 Å²	118.2	75%	0.748	65%	0.647	S	S	*	*			trans	-67.7	101.9	175.3	35.3	0	0	0	0	109.5	I300 S304	I300-T302 PolarHBondContact O-N 3.19Å; T302-S304 PolarHBondContact O-N 3.49Å
303	A	44.3	Very low	52.9	Low	95 Å²	95	112.7 Å²	112.7	79%	0.785	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-51	121.8	-169	0	0	0	0	0	112.8	E301 S305	E301-A303 PolarHBondContact O-N 3.07Å; A303-S305 PolarHBondContact O-N 3.38Å
304	S	54.3	Low	55.3	Low	95 Å²	95	109.8 Å²	109.8	66%	0.664	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-48.7	133.6	177.7	-177	0	0	0	0	111.3	T302 S308	T302-S304 PolarHBondContact O-N 3.49Å; S304-S308 WeakPolarHBondContact OG-CB 3.42Å
305	S	64.7	Low	57.8	Low	51 Å²	51	107.7 Å²	107.7	36%	0.357	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-68.2	153	-172.8	91.9	0	0	0	0	111.1	A303 V307 S308 Y309	A303-S305 PolarHBondContact O-N 3.38Å; S305-V307 PolarHBondContact O-N 2.94Å; S305-V307 PolarHBondContact OG-N 3.47Å; S305-S308 WeakPolarHBondContact CB-OG 3.43Å; S305-S308 WeakPolarHBondContact O-CB 3.43Å; S305-S308 PolarHBondContact O-N 2.87Å; S305-S308 PolarHBondContact OG-N 3.38Å; S305-S308 PolarHBondContact OG-OG 2.91Å; S305-Y309 PolarHBondContact O-N 3.19Å
306	Y	70.2	Confident	60.1	Low	153 Å²	153	107.2 Å²	107.2	60%	0.6	57%	0.572	S	S	*	*	H	α-helix	trans	-64.3	-20.2	174.6	-179	-116.3	0	0	0	112.6	Y309 R310	Y306-Y309 HydrophobicContact CD2-CD1 4.36Å; Y306-Y309 HydrophobicContact CE2-CD1 4.32Å; Y306-R310 HydrophobicContact CD2-CG 4.43Å; Y306-R310 HydrophobicContact CE1-CG 4.1Å; Y306-R310 HydrophobicContact CE2-CG 4Å; Y306-R310 WeakPolarHBondContact O-CB 3.48Å; Y306-R310 VanDerWaalsContact O-CG 3.3Å; Y306-R310 WeakPolarHBondContact O-CG 3.36Å; Y306-R310 PolarHBondContact O-N 2.82Å; Y306-R310 VanDerWaalsContact O-N 3.13Å
307	V	73.1	Confident	62.4	Low	86 Å²	86	102.1 Å²	102.1	52%	0.521	54%	0.544	S	S	.	.	H	α-helix	trans	-70.7	-55.2	171.5	-176.7	0	0	0	0	109.1	S305 Y309 R310 D311	S305-V307 PolarHBondContact O-N 2.94Å; S305-V307 PolarHBondContact OG-N 3.47Å; V307-Y309 VanDerWaalsContact C-N 3.28Å; V307-Y309 PolarHBondContact O-N 3.45Å; V307-R310 CarbonylContact O-C 3.55Å; V307-R310 WeakPolarHBondContact O-CA 3.5Å; V307-R310 WeakPolarHBondContact O-CB 3.17Å; V307-R310 PolarHBondContact O-N 2.92Å; V307-D311 WeakPolarHBondContact CG1-OD2 3.42Å; V307-D311 PolarHBondContact O-N 3.44Å
308	S	64.1	Low	64.9	Low	12 Å²	12	96.6 Å²	96.6	8%	0.084	51%	0.514	C	S	.	.	H	α-helix	trans	-48	-47.2	174.5	-43.1	0	0	0	0	112.4	S304 S305 A312 E650	S304-S308 WeakPolarHBondContact OG-CB 3.42Å; S305-S308 WeakPolarHBondContact CB-OG 3.43Å; S305-S308 WeakPolarHBondContact O-CB 3.43Å; S305-S308 PolarHBondContact O-N 2.87Å; S305-S308 PolarHBondContact OG-N 3.38Å; S305-S308 PolarHBondContact OG-OG 2.91Å; S308-A312 VanDerWaalsContact O-CB 3.31Å; S308-A312 WeakPolarHBondContact O-CB 3.34Å; S308-A312 PolarHBondContact O-N 3.3Å; S308-E650 WeakPolarHBondContact CB-OE2 2.96Å; S308-E650 PolarHBondContact OG-OE1 2.84Å; S308-E650 PolarHBondContact OG-OE2 3.22Å
309	Y	70.9	Confident	67.3	Low	138 Å²	138	89.3 Å²	89.3	54%	0.541	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-43.6	175	173.9	-89.8	0	0	0	112.9	S305 Y306 V307 D311 E313	S305-Y309 PolarHBondContact O-N 3.19Å; Y306-Y309 HydrophobicContact CD2-CD1 4.36Å; Y306-Y309 HydrophobicContact CE2-CD1 4.32Å; V307-Y309 VanDerWaalsContact C-N 3.28Å; V307-Y309 PolarHBondContact O-N 3.45Å; Y309-D311 VanDerWaalsContact C-N 3.35Å; Y309-E313 HydrophobicContact CE1-CB 4.49Å; Y309-E313 WeakPolarHBondContact O-CB 3.31Å; Y309-E313 PolarHBondContact O-N 2.9Å
310	R	78.3	Confident	69.7	Low	152 Å²	152	89 Å²	89	57%	0.574	46%	0.464	S	S	*	.	H	α-helix	trans	-67.4	-35.7	-179.9	-84.8	-166.6	66.7	-174.6	-2.6	112.8	Y306 V307 G314	Y306-R310 HydrophobicContact CD2-CG 4.43Å; Y306-R310 HydrophobicContact CE1-CG 4.1Å; Y306-R310 HydrophobicContact CE2-CG 4Å; Y306-R310 WeakPolarHBondContact O-CB 3.48Å; Y306-R310 VanDerWaalsContact O-CG 3.3Å; Y306-R310 WeakPolarHBondContact O-CG 3.36Å; Y306-R310 PolarHBondContact O-N 2.82Å; Y306-R310 VanDerWaalsContact O-N 3.13Å; V307-R310 CarbonylContact O-C 3.55Å; V307-R310 WeakPolarHBondContact O-CA 3.5Å; V307-R310 WeakPolarHBondContact O-CB 3.17Å; V307-R310 PolarHBondContact O-N 2.92Å; R310-G314 PolarHBondContact O-N 3.21Å
311	D	77.3	Confident	72	Confident	87 Å²	87	89.8 Å²	89.8	47%	0.465	46%	0.456	S	S	.	.	H	α-helix	trans	-77.3	-35.6	179.8	-65	-21.7	0	0	0	110.5	V307 Y309 G314 L315	V307-D311 WeakPolarHBondContact CG1-OD2 3.42Å; V307-D311 PolarHBondContact O-N 3.44Å; Y309-D311 VanDerWaalsContact C-N 3.35Å; D311-G314 PolarHBondContact O-N 3Å; D311-L315 WeakPolarHBondContact O-CB 3.42Å; D311-L315 PolarHBondContact O-N 3Å
312	A	75.9	Confident	73.7	Confident	19 Å²	19	82 Å²	82	16%	0.157	42%	0.421	C	S	.	.	H	α-helix	trans	-60.6	-46.3	167.2	0	0	0	0	0	113.1	S308 L315 R316 I649	S308-A312 VanDerWaalsContact O-CB 3.31Å; S308-A312 WeakPolarHBondContact O-CB 3.34Å; S308-A312 PolarHBondContact O-N 3.3Å; A312-L315 PolarHBondContact O-N 2.88Å; A312-R316 VanDerWaalsContact O-CB 3.3Å; A312-R316 WeakPolarHBondContact O-CB 3.41Å; A312-R316 PolarHBondContact O-N 3.29Å; A312-I649 HydrophobicContact CB-CD1 4.1Å
313	E	79.3	Confident	75.4	Confident	51 Å²	51	76.3 Å²	76.3	24%	0.238	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-40.3	176.1	-177.2	58.8	-168.8	0	0	112.1	Y309 R316 I317	Y309-E313 HydrophobicContact CE1-CB 4.49Å; Y309-E313 WeakPolarHBondContact O-CB 3.31Å; Y309-E313 PolarHBondContact O-N 2.9Å; E313-R316 PolarHBondContact O-N 3.01Å; E313-R316 IonicContact OE1-CZ 2.7Å; E313-R316 IonicContact OE1-NE 3.37Å; E313-R316 IonicContact OE1-NH2 3.7Å; E313-R316 PolarHBondContact OE1-NH2 3.41Å; E313-R316 IonicContact OE2-CZ 3.17Å; E313-R316 IonicContact OE2-NE 2.79Å; E313-R316 PolarHBondContact OE2-NE 3.21Å; E313-R316 IonicContact OE2-NH2 3.42Å; E313-R316 PolarHBondContact OE2-NH2 2.78Å; E313-I317 HydrophobicContact CG-CD1 4.03Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.42Å; E313-I317 PolarHBondContact O-N 2.87Å
314	G	83.4	Confident	77.1	Confident	39 Å²	39	77.7 Å²	77.7	40%	0.402	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-43.4	175.6	0	0	0	0	0	112.5	R310 D311 M318	R310-G314 PolarHBondContact O-N 3.21Å; D311-G314 PolarHBondContact O-N 3Å; G314-M318 WeakPolarHBondContact O-CB 3.45Å; G314-M318 PolarHBondContact O-N 2.89Å
315	L	82.7	Confident	78.3	Confident	50 Å²	50	73.8 Å²	73.8	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-71.5	-37.9	176.3	-154.1	76.4	0	0	0	111.6	D311 A312 I317 M318 M319 T647 I649	D311-L315 WeakPolarHBondContact O-CB 3.42Å; D311-L315 PolarHBondContact O-N 3Å; A312-L315 PolarHBondContact O-N 2.88Å; L315-I317 PolarHBondContact O-N 2.85Å; L315-M318 HydrophobicContact CD1-CE 3.43Å; L315-M318 VanDerWaalsContact CD1-CE 3.43Å; L315-M318 HydrophobicContact CG-CE 3.87Å; L315-M318 CarbonylContact O-C 3.59Å; L315-M318 WeakPolarHBondContact O-CA 3.45Å; L315-M318 WeakPolarHBondContact O-CB 3.28Å; L315-M318 PolarHBondContact O-N 2.93Å; L315-M318 VanDerWaalsContact O-N 3.08Å; L315-M319 VanDerWaalsContact O-CG 3.28Å; L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 2.87Å; L315-T647 HydrophobicContact CD2-CG2 3.47Å; L315-T647 VanDerWaalsContact CD2-CG2 3.47Å; L315-I649 HydrophobicContact CB-CD1 3.62Å; L315-I649 HydrophobicContact CD2-CD1 3.46Å; L315-I649 VanDerWaalsContact CD2-CD1 3.46Å; L315-I649 HydrophobicContact CD2-CG1 3.72Å; L315-I649 HydrophobicContact CG-CD1 4.16Å
316	R	80.1	Confident	78.8	Confident	141 Å²	141	75.3 Å²	75.3	53%	0.532	35%	0.346	S	S	.	.	H	α-helix	trans	-56.8	-49.3	173.4	-173.6	175.7	74.3	140.3	6.8	111.5	A312 E313 M318 M319 E320	A312-R316 VanDerWaalsContact O-CB 3.3Å; A312-R316 WeakPolarHBondContact O-CB 3.41Å; A312-R316 PolarHBondContact O-N 3.29Å; E313-R316 PolarHBondContact O-N 3.01Å; E313-R316 IonicContact OE1-CZ 2.7Å; E313-R316 IonicContact OE1-NE 3.37Å; E313-R316 IonicContact OE1-NH2 3.7Å; E313-R316 PolarHBondContact OE1-NH2 3.41Å; E313-R316 IonicContact OE2-CZ 3.17Å; E313-R316 IonicContact OE2-NE 2.79Å; E313-R316 PolarHBondContact OE2-NE 3.21Å; E313-R316 IonicContact OE2-NH2 3.42Å; E313-R316 PolarHBondContact OE2-NH2 2.78Å; R316-M318 VanDerWaalsContact C-N 3.28Å; R316-M318 PolarHBondContact O-N 3.28Å; R316-M319 PolarHBondContact O-N 3.16Å; R316-E320 WeakPolarHBondContact O-CB 3.45Å; R316-E320 PolarHBondContact O-N 2.99Å
317	I	83.3	Confident	79	Confident	52 Å²	52	68.9 Å²	68.9	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-35.1	175.3	-67.1	165.1	0	0	0	111.2	E313 L315 R321	E313-I317 HydrophobicContact CG-CD1 4.03Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.42Å; E313-I317 PolarHBondContact O-N 2.87Å; L315-I317 PolarHBondContact O-N 2.85Å; I317-R321 VanDerWaalsContact CG2-CZ 3.44Å; I317-R321 WeakPolarHBondContact O-CB 3.5Å; I317-R321 WeakPolarHBondContact O-CD 3.39Å; I317-R321 WeakPolarHBondContact O-CG 3.26Å; I317-R321 PolarHBondContact O-N 3.26Å
318	M	85	Confident	78.8	Confident	63 Å²	63	65.8 Å²	65.8	31%	0.31	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-46.4	174.4	-173.8	-72.6	-64.3	0	0	111.4	G314 L315 R316 R321 N322 W645	G314-M318 WeakPolarHBondContact O-CB 3.45Å; G314-M318 PolarHBondContact O-N 2.89Å; L315-M318 HydrophobicContact CD1-CE 3.43Å; L315-M318 VanDerWaalsContact CD1-CE 3.43Å; L315-M318 HydrophobicContact CG-CE 3.87Å; L315-M318 CarbonylContact O-C 3.59Å; L315-M318 WeakPolarHBondContact O-CA 3.45Å; L315-M318 WeakPolarHBondContact O-CB 3.28Å; L315-M318 PolarHBondContact O-N 2.93Å; L315-M318 VanDerWaalsContact O-N 3.08Å; R316-M318 VanDerWaalsContact C-N 3.28Å; R316-M318 PolarHBondContact O-N 3.28Å; M318-R321 PolarHBondContact O-N 3.21Å; M318-N322 WeakPolarHBondContact O-CB 3.31Å; M318-N322 VanDerWaalsContact O-CG 3.32Å; M318-N322 PolarHBondContact O-N 2.92Å; M318-N322 PolarHBondContact O-ND2 3.07Å; M318-N322 PolarHBondContact SD-ND2 3.25Å; M318-W645 HydrophobicContact CE-CH2 3.69Å; M318-W645 HydrophobicContact CE-CZ2 3.97Å; M318-W645 HydrophobicContact SD-CH2 3.86Å
319	M	88.1	Confident	78.7	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-63.6	-47.9	178.1	-68.4	171.3	88.9	0	0	111	L315 R316 R321 N322 S323 W645 T647 C654 Q656	L315-M319 VanDerWaalsContact O-CG 3.28Å; L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 2.87Å; R316-M319 PolarHBondContact O-N 3.16Å; M319-R321 VanDerWaalsContact C-N 3.34Å; M319-R321 PolarHBondContact O-N 2.65Å; M319-N322 CarbonylContact O-C 3.58Å; M319-N322 VanDerWaalsContact O-C 3.26Å; M319-N322 WeakPolarHBondContact O-CA 3.49Å; M319-N322 PolarHBondContact O-N 2.88Å; M319-S323 WeakPolarHBondContact O-CB 3.38Å; M319-S323 PolarHBondContact O-N 2.84Å; M319-W645 HydrophobicContact CB-CE3 4.11Å; M319-W645 HydrophobicContact CB-CZ3 4.07Å; M319-W645 HydrophobicContact CE-CB 4.16Å; M319-W645 HydrophobicContact CE-CD2 3.74Å; M319-W645 HydrophobicContact CE-CE3 4.32Å; M319-W645 HydrophobicContact CE-CG 3.65Å; M319-W645 VanDerWaalsContact CE-O 3.28Å; M319-W645 WeakPolarHBondContact CE-O 3.48Å; M319-W645 HydrophobicContact CG-CD2 4.18Å; M319-W645 HydrophobicContact CG-CE3 4.04Å; M319-W645 HydrophobicContact CG-CH2 4.07Å; M319-W645 HydrophobicContact CG-CZ2 4.18Å; M319-W645 HydrophobicContact CG-CZ3 3.98Å; M319-T647 HydrophobicContact CE-CG2 3.6Å; M319-T647 HydrophobicContact SD-CG2 3.53Å; M319-T647 VanDerWaalsContact SD-CG2 3.53Å; M319-C654 HydrophobicContact SD-CB 3.9Å; M319-Q656 HydrophobicContact CB-CB 3.93Å; M319-Q656 HydrophobicContact CB-CG 4.1Å; M319-Q656 HydrophobicContact CE-CB 3.96Å
320	E	84.7	Confident	78	Confident	112 Å²	112	61.6 Å²	61.6	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-52.9	-50.6	176.5	-174.3	-165	-171.4	0	0	111	R316 N322 S323	R316-E320 WeakPolarHBondContact O-CB 3.45Å; R316-E320 PolarHBondContact O-N 2.99Å; E320-N322 PolarHBondContact O-N 2.99Å; E320-N322 VanDerWaalsContact O-N 3.15Å; E320-S323 WeakPolarHBondContact O-CB 3.5Å; E320-S323 PolarHBondContact O-N 3.22Å; E320-S323 PolarHBondContact O-OG 3.03Å
321	R	83	Confident	76.7	Confident	184 Å²	184	55 Å²	55	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-62.6	-20.4	177.3	-71	169.4	-178.1	179.8	1.4	114	I317 M318 M319	I317-R321 VanDerWaalsContact CG2-CZ 3.44Å; I317-R321 WeakPolarHBondContact O-CB 3.5Å; I317-R321 WeakPolarHBondContact O-CD 3.39Å; I317-R321 WeakPolarHBondContact O-CG 3.26Å; I317-R321 PolarHBondContact O-N 3.26Å; M318-R321 PolarHBondContact O-N 3.21Å; M319-R321 VanDerWaalsContact C-N 3.34Å; M319-R321 PolarHBondContact O-N 2.65Å
322	N	78.7	Confident	75.2	Confident	19 Å²	19	59 Å²	59	10%	0.102	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	9.7	-176.8	-63.6	-47.1	0	0	0	113.2	M318 M319 E320 K324 F325 R632 W645 K780	M318-N322 WeakPolarHBondContact O-CB 3.31Å; M318-N322 VanDerWaalsContact O-CG 3.32Å; M318-N322 PolarHBondContact O-N 2.92Å; M318-N322 PolarHBondContact O-ND2 3.07Å; M318-N322 PolarHBondContact SD-ND2 3.25Å; M319-N322 CarbonylContact O-C 3.58Å; M319-N322 VanDerWaalsContact O-C 3.26Å; M319-N322 WeakPolarHBondContact O-CA 3.49Å; M319-N322 PolarHBondContact O-N 2.88Å; E320-N322 PolarHBondContact O-N 2.99Å; E320-N322 VanDerWaalsContact O-N 3.15Å; N322-K324 VanDerWaalsContact C-N 3.32Å; N322-F325 WeakPolarHBondContact O-CE2 3.23Å; N322-R632 PolarHBondContact O-NH1 2.89Å; N322-W645 HydrophobicContact CB-CH2 4.36Å; N322-W645 HydrophobicContact CB-CZ3 3.83Å; N322-K780 VanDerWaalsContact CG-NZ 3.34Å; N322-K780 PolarHBondContact ND2-NZ 3.07Å; N322-K780 WeakPolarHBondContact OD1-CD 3.43Å; N322-K780 WeakPolarHBondContact OD1-CE 3.32Å; N322-K780 PolarHBondContact OD1-NZ 2.86Å
323	S	81.2	Confident	74	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.014	30%	0.296	C	S	.	.			trans	-80.1	-12.8	179.2	67.1	0	0	0	0	113.2	M319 E320 F325 L658 Y659	M319-S323 WeakPolarHBondContact O-CB 3.38Å; M319-S323 PolarHBondContact O-N 2.84Å; E320-S323 WeakPolarHBondContact O-CB 3.5Å; E320-S323 PolarHBondContact O-N 3.22Å; E320-S323 PolarHBondContact O-OG 3.03Å; S323-F325 WeakPolarHBondContact O-CD2 3.32Å; S323-L658 WeakPolarHBondContact O-CA 3.47Å; S323-Y659 PolarHBondContact O-N 3.47Å
324	K	81.7	Confident	72.7	Confident	124 Å²	124	59.8 Å²	59.8	54%	0.539	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-86.7	120.4	-180	-63.3	-177.2	-178.9	-179	0	110.2	N322 Q779	N322-K324 VanDerWaalsContact C-N 3.32Å; K324-Q779 WeakPolarHBondContact O-CB 3.48Å; K324-Q779 PolarHBondContact O-N 3.23Å
325	F	78	Confident	71.1	Confident	12 Å²	12	59 Å²	59	5%	0.053	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.2	-179.3	-74.3	-124.8	0	0	0	110.5	N322 S323 L658 Y659 I765 I776 Y777 P778	N322-F325 WeakPolarHBondContact O-CE2 3.23Å; S323-F325 WeakPolarHBondContact O-CD2 3.32Å; F325-L658 HydrophobicContact CD2-CB 4.47Å; F325-L658 HydrophobicContact CD2-CD1 4.31Å; F325-L658 HydrophobicContact CD2-CD2 4.19Å; F325-L658 HydrophobicContact CE1-CD1 4.17Å; F325-L658 HydrophobicContact CE2-CD1 3.88Å; F325-L658 HydrophobicContact CE2-CD2 3.53Å; F325-L658 HydrophobicContact CE2-CG 4.2Å; F325-L658 HydrophobicContact CZ-CD1 3.79Å; F325-L658 HydrophobicContact CZ-CD2 4.07Å; F325-Y659 PolarHBondContact N-O 2.78Å; F325-I765 HydrophobicContact CD1-CD1 4.47Å; F325-I765 HydrophobicContact CE1-CD1 3.88Å; F325-I776 HydrophobicContact CB-CG2 3.47Å; F325-I776 VanDerWaalsContact CB-CG2 3.47Å; F325-I776 HydrophobicContact CD1-CG2 3.84Å; F325-I776 HydrophobicContact CG-CG2 4.02Å; F325-Y777 CarbonylContact C-O 3.55Å; F325-Y777 WeakPolarHBondContact CA-O 3.49Å; F325-Y777 WeakPolarHBondContact CB-O 3.3Å; F325-P778 HydrophobicContact CD1-CG 4.08Å; F325-P778 VanDerWaalsContact CD1-N 3.31Å; F325-P778 HydrophobicContact CE1-CB 4.29Å; F325-P778 VanDerWaalsContact CE1-CD 3.47Å; F325-P778 HydrophobicContact CE1-CG 3.51Å; F325-P778 HydrophobicContact CZ-CB 4.4Å; F325-P778 HydrophobicContact CZ-CG 3.87Å
326	H	75.1	Confident	69.7	Low	83 Å²	83	59.5 Å²	59.5	38%	0.384	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.2	171.6	-67.2	-58.9	0	0	0	109.8	Y777 Q779	H326-Y777 PolarHBondContact N-O 2.87Å; H326-Y777 PolarHBondContact O-N 2.89Å; H326-Q779 WeakPolarHBondContact NE2-CG 3.46Å; H326-Q779 PolarHBondContact NE2-NE2 3.13Å
327	V	76.1	Confident	68.5	Low	19 Å²	19	54.5 Å²	54.5	12%	0.115	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116	173.3	-177	0	0	0	0	108.6	N661 I662 T774 I776	V327-N661 WeakPolarHBondContact CG2-O 3.23Å; V327-I662 HydrophobicContact CG1-CG1 4.19Å; V327-I662 HydrophobicContact CG2-CG1 4.21Å; V327-T774 HydrophobicContact CG1-CG2 3.71Å; V327-I776 HydrophobicContact CG2-CD1 4.42Å; V327-I776 HydrophobicContact CG2-CG1 4.22Å
328	L	68.6	Low	66.9	Low	20 Å²	20	58.5 Å²	58.5	11%	0.105	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.3	164.5	-63.7	-174.3	0	0	0	107.9	F384 G387 F389 L761 V775 Y777 F782	L328-F384 HydrophobicContact CD1-CE1 4.43Å; L328-G387 WeakPolarHBondContact CA-O 3.34Å; L328-F389 HydrophobicContact CB-CD2 4.37Å; L328-F389 HydrophobicContact CB-CE2 3.67Å; L328-F389 HydrophobicContact CB-CZ 4.38Å; L328-F389 WeakPolarHBondContact O-CE2 3.39Å; L328-L761 HydrophobicContact CD1-CD2 3.7Å; L328-V775 PolarHBondContact N-O 3.21Å; L328-Y777 HydrophobicContact CD1-CD2 3.76Å; L328-Y777 HydrophobicContact CD1-CE2 3.67Å; L328-Y777 HydrophobicContact CG-CD2 3.87Å; L328-Y777 HydrophobicContact CG-CE2 4.21Å; L328-F782 HydrophobicContact CD2-CZ 4.37Å
329	T	61.7	Low	64.8	Low	31 Å²	31	61.7 Å²	61.7	19%	0.19	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-89.6	125.7	-143.9	-24.5	0	0	0	0	113.5	G331 G387 F388 F389	T329-G331 PolarHBondContact O-N 3.19Å; T329-G387 PolarHBondContact N-O 3.2Å; T329-F388 HydrophobicContact CG2-CE1 4.46Å; T329-F389 PolarHBondContact O-N 2.98Å
330	K	56	Low	63	Low	31 Å²	31	65 Å²	65	14%	0.135	33%	0.331	C	S	.	.			trans	-18.8	105.8	159.3	178.1	-175.8	174	179.3	0	114.1	I662 S664 F670 Y771 T774	K330-I662 HydrophobicContact CB-CG2 4.34Å; K330-I662 HydrophobicContact CD-CG2 4.02Å; K330-S664 PolarHBondContact NZ-OG 3.24Å; K330-F670 HydrophobicContact CD-CE1 4.15Å; K330-F670 HydrophobicContact CD-CZ 4.38Å; K330-Y771 VanDerWaalsContact CE-CB 3.46Å; K330-Y771 VanDerWaalsContact CE-O 3.29Å; K330-Y771 WeakPolarHBondContact CE-O 3.45Å; K330-T774 HydrophobicContact CB-CG2 3.79Å
331	G	50	Low	61.5	Low	14 Å²	14	62.1 Å²	62.1	14%	0.144	32%	0.317	C	S	.	.			trans	-67.5	140.7	155.3	0	0	0	0	0	109.3	T329 D333 C334 F389	T329-G331 PolarHBondContact O-N 3.19Å; G331-D333 PolarHBondContact O-N 2.69Å; G331-D333 VanDerWaalsContact O-N 3.16Å; G331-C334 WeakPolarHBondContact O-CB 3.37Å; G331-C334 PolarHBondContact O-N 2.77Å; G331-F389 WeakPolarHBondContact CA-O 3.11Å
332	K	47.4	Very low	60.2	Low	170 Å²	170	59 Å²	59	74%	0.739	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.4	-175.6	-73.2	-178.1	179	174.7	0	113.4
333	D	50.5	Low	59.3	Low	86 Å²	86	60.8 Å²	60.8	46%	0.46	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	17.4	-173.8	-43.1	-50.4	0	0	0	112	G331 C335 Q380 L391 H393	G331-D333 PolarHBondContact O-N 2.69Å; G331-D333 VanDerWaalsContact O-N 3.16Å; D333-C335 PolarHBondContact O-N 2.86Å; D333-Q380 PolarHBondContact O-NE2 2.81Å; D333-L391 HydrophobicContact CB-CD2 4.12Å; D333-H393 IonicContact OD2-CD2 3.91Å; D333-H393 IonicContact OD2-CE1 3.6Å; D333-H393 IonicContact OD2-NE2 2.8Å; D333-H393 PolarHBondContact OD2-NE2 3.19Å
334	C	51	Low	58.6	Low	1 Å²	1	66 Å²	66	1%	0.007	34%	0.343	C	S	.	.	S	Bend	trans	-82.9	76.6	-175	-75.4	0	0	0	0	113.2	G331 I336 Q380 G772 C773	G331-C334 WeakPolarHBondContact O-CB 3.37Å; G331-C334 PolarHBondContact O-N 2.77Å; C334-I336 PolarHBondContact O-N 2.8Å; C334-Q380 VanDerWaalsContact CA-OE1 3.28Å; C334-G772 CarbonylContact O-C 3.24Å; C334-G772 WeakPolarHBondContact O-CA 3.28Å; C334-C773 PolarHBondContact O-N 3.32Å; C334-C773 VanDerWaalsContact O-N 3.11Å
335	C	50.8	Low	57.9	Low	22 Å²	22	60.6 Å²	60.6	15%	0.149	32%	0.32	C	S	.	.			trans	39.5	63.7	-175.7	-68.4	0	0	0	0	113	D333 R363 L400	D333-C335 PolarHBondContact O-N 2.86Å; C335-R363 PolarHBondContact SG-NH2 3.46Å; C335-L400 WeakPolarHBondContact SG-CD1 3.21Å
336	I	52.2	Low	58	Low	61 Å²	61	61.2 Å²	61.2	31%	0.313	32%	0.324	S	S	.	.			trans	-71.2	124.4	143.2	-19.5	-178.6	0	0	0	105.6	C334 R338	C334-I336 PolarHBondContact O-N 2.8Å; I336-R338 PolarHBondContact O-N 3.16Å
337	M	55.6	Low	58.5	Low	36 Å²	36	57.3 Å²	57.3	18%	0.177	31%	0.306	C	S	.	.			trans	-17.8	114.2	134.3	-69.5	-54.5	-47	0	0	110.8	E341 Y343	M337-E341 HydrophobicContact CE-CB 3.51Å; M337-E341 VanDerWaalsContact CE-O 3.29Å; M337-E341 WeakPolarHBondContact CE-O 3.25Å; M337-Y343 VanDerWaalsContact CE-CB 3.46Å; M337-Y343 HydrophobicContact CE-CD2 3.45Å; M337-Y343 VanDerWaalsContact CE-CD2 3.45Å; M337-Y343 HydrophobicContact CE-CE2 4.36Å; M337-Y343 HydrophobicContact CE-CG 3.67Å; M337-Y343 WeakPolarHBondContact CE-O 3.46Å; M337-Y343 HydrophobicContact SD-CD2 4.12Å; M337-Y343 HydrophobicContact SD-CG 4.39Å; M337-Y343 VanDerWaalsContact SD-O 3.33Å
338	R	48.8	Very low	58.9	Low	136 Å²	136	56.5 Å²	56.5	51%	0.513	30%	0.301	S	S	.	.			trans	-59.8	138.2	-175.5	-58.1	-174.3	-174.2	104.8	-3	107.9	I336 G340 E341	I336-R338 PolarHBondContact O-N 3.16Å; R338-G340 PolarHBondContact O-N 2.8Å; R338-E341 VanDerWaalsContact CB-CD 3.42Å; R338-E341 HydrophobicContact CB-CG 4.01Å; R338-E341 WeakPolarHBondContact CB-OE2 3.44Å; R338-E341 WeakPolarHBondContact CD-OE1 3.26Å; R338-E341 WeakPolarHBondContact CG-OE1 3.14Å; R338-E341 WeakPolarHBondContact CG-OE2 3.33Å; R338-E341 IonicContact CZ-OE1 3.69Å; R338-E341 PolarHBondContact N-OE2 3.29Å; R338-E341 IonicContact NE-OE1 2.88Å; R338-E341 IonicContact NH1-OE1 3.35Å; R338-E341 PolarHBondContact NH1-OE1 3.26Å; R338-E341 WeakPolarHBondContact O-CB 3.43Å; R338-E341 PolarHBondContact O-N 2.63Å
339	P	42	Very low	59.6	Low	131 Å²	131	56.7 Å²	56.7	85%	0.851	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	105.2	-178.5	-28.7	36.4	0	0	0	112.2
340	G	49.2	Very low	60.3	Low	72 Å²	72	56.3 Å²	56.3	74%	0.742	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	122	-22.4	-172.4	0	0	0	0	0	114.7	R338	R338-G340 PolarHBondContact O-N 2.8Å
341	E	54.7	Low	61.2	Low	50 Å²	50	57.3 Å²	57.3	23%	0.234	30%	0.304	C	S	.	.			trans	-76.8	128.9	170.6	-69.1	170.1	178.4	0	0	110.2	M337 R338 Y343	M337-E341 HydrophobicContact CE-CB 3.51Å; M337-E341 VanDerWaalsContact CE-O 3.29Å; M337-E341 WeakPolarHBondContact CE-O 3.25Å; R338-E341 VanDerWaalsContact CB-CD 3.42Å; R338-E341 HydrophobicContact CB-CG 4.01Å; R338-E341 WeakPolarHBondContact CB-OE2 3.44Å; R338-E341 WeakPolarHBondContact CD-OE1 3.26Å; R338-E341 WeakPolarHBondContact CG-OE1 3.14Å; R338-E341 WeakPolarHBondContact CG-OE2 3.33Å; R338-E341 IonicContact CZ-OE1 3.69Å; R338-E341 PolarHBondContact N-OE2 3.29Å; R338-E341 IonicContact NE-OE1 2.88Å; R338-E341 IonicContact NH1-OE1 3.35Å; R338-E341 PolarHBondContact NH1-OE1 3.26Å; R338-E341 WeakPolarHBondContact O-CB 3.43Å; R338-E341 PolarHBondContact O-N 2.63Å; E341-Y343 HydrophobicContact CB-CD2 4.48Å; E341-Y343 HydrophobicContact CB-CE2 4.27Å; E341-Y343 HydrophobicContact CG-CE2 4.49Å
342	I	55.3	Low	62	Low	119 Å²	119	59 Å²	59	61%	0.61	31%	0.309	S	S	*	.			trans	-110.5	70.8	-174.7	-47.9	175.6	0	0	0	109.3	L370	I342-L370 HydrophobicContact CB-CD1 4.21Å; I342-L370 HydrophobicContact CB-CD2 3.81Å; I342-L370 HydrophobicContact CB-CG 3.97Å; I342-L370 HydrophobicContact CG2-CD2 3.92Å; I342-L370 WeakPolarHBondContact O-CG 3.41Å
343	Y	60.1	Low	62.7	Low	57 Å²	57	53.1 Å²	53.1	22%	0.224	29%	0.285	C	S	.	.			trans	-122.6	149.2	168.6	-36.2	-48.4	0	0	0	108.7	M337 E341 T367 T368 N369 L370 L376	M337-Y343 VanDerWaalsContact CE-CB 3.46Å; M337-Y343 HydrophobicContact CE-CD2 3.45Å; M337-Y343 VanDerWaalsContact CE-CD2 3.45Å; M337-Y343 HydrophobicContact CE-CE2 4.36Å; M337-Y343 HydrophobicContact CE-CG 3.67Å; M337-Y343 WeakPolarHBondContact CE-O 3.46Å; M337-Y343 HydrophobicContact SD-CD2 4.12Å; M337-Y343 HydrophobicContact SD-CG 4.39Å; M337-Y343 VanDerWaalsContact SD-O 3.33Å; E341-Y343 HydrophobicContact CB-CD2 4.48Å; E341-Y343 HydrophobicContact CB-CE2 4.27Å; E341-Y343 HydrophobicContact CG-CE2 4.49Å; Y343-T367 VanDerWaalsContact CB-OG1 3.27Å; Y343-T367 WeakPolarHBondContact CB-OG1 3.4Å; Y343-T367 HydrophobicContact CD2-CG2 4.37Å; Y343-T368 VanDerWaalsContact CB-O 3.28Å; Y343-T368 WeakPolarHBondContact CB-O 3.05Å; Y343-T368 VanDerWaalsContact CD1-O 3.29Å; Y343-T368 WeakPolarHBondContact CD1-O 3.2Å; Y343-T368 VanDerWaalsContact CG-O 3.29Å; Y343-N369 HydrophobicContact CE1-CB 4.15Å; Y343-L370 HydrophobicContact CE1-CB 4.33Å; Y343-L370 HydrophobicContact CE1-CG 4.43Å; Y343-L376 HydrophobicContact CD2-CD2 3.81Å; Y343-L376 HydrophobicContact CE2-CD2 3.57Å
344	Q	66.8	Low	63.1	Low	111 Å²	111	55.5 Å²	55.5	52%	0.519	29%	0.294	S	S	.	.			trans	-105.1	126.5	173.4	178.1	158.5	-5.4	0	0	108.5	I346 T367 M673	Q344-I346 WeakPolarHBondContact O-CG1 3.05Å; Q344-I346 PolarHBondContact O-N 3.02Å; Q344-T367 VanDerWaalsContact C-OG1 3.24Å; Q344-T367 WeakPolarHBondContact O-CB 3.31Å; Q344-T367 PolarHBondContact O-OG1 2.89Å; Q344-M673 HydrophobicContact CB-CE 4.29Å; Q344-M673 HydrophobicContact CG-CB 4.34Å; Q344-M673 HydrophobicContact CG-CE 4.17Å; Q344-M673 PolarHBondContact NE2-O 3.22Å
345	P	67	Low	63.3	Low	10 Å²	10	63.5 Å²	63.5	7%	0.065	33%	0.331	C	S	.	.			trans	-61.9	124.8	170.4	24.2	-30.5	0	0	0	108.4	T365 M673 A674 A768	P345-T365 HydrophobicContact CB-CG2 4.09Å; P345-M673 HydrophobicContact CG-CB 4.24Å; P345-A674 WeakPolarHBondContact O-CB 3.48Å; P345-A768 HydrophobicContact CB-CB 3.88Å; P345-A768 HydrophobicContact CG-CB 3.41Å; P345-A768 VanDerWaalsContact CG-CB 3.41Å
346	I	79.8	Confident	63.3	Low	26 Å²	26	65.8 Å²	65.8	13%	0.133	34%	0.341	C	S	.	.			trans	-100.7	-42	-175	-66.3	156.4	0	0	0	110.3	Q344 L366 T368 Y419 L420	Q344-I346 WeakPolarHBondContact O-CG1 3.05Å; Q344-I346 PolarHBondContact O-N 3.02Å; I346-L366 PolarHBondContact N-O 2.86Å; I346-T368 HydrophobicContact CD1-CG2 3.82Å; I346-Y419 HydrophobicContact CG2-CD2 3.99Å; I346-Y419 HydrophobicContact CG2-CE2 4.31Å; I346-Y419 HydrophobicContact CG2-CG 4.44Å; I346-L420 HydrophobicContact CB-CB 4.3Å; I346-L420 HydrophobicContact CB-CD1 4.33Å; I346-L420 HydrophobicContact CD1-CD1 3.89Å; I346-L420 HydrophobicContact CG2-CB 3.74Å; I346-L420 HydrophobicContact CG2-CD1 4.48Å; I346-L420 HydrophobicContact CG2-CG 4.5Å
347	D	85.2	Confident	63.1	Low	1 Å²	1	70.8 Å²	70.8	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.8	173.2	-164.9	26.3	0	0	0	112.4	L366 R421 F422 Q676	D347-L366 HydrophobicContact CB-CD1 4.47Å; D347-L366 PolarHBondContact N-O 2.67Å; D347-L366 PolarHBondContact O-N 3.03Å; D347-R421 IonicContact OD1-NH1 2.72Å; D347-R421 WeakPolarHBondContact OD2-CA 3.37Å; D347-F422 PolarHBondContact OD2-N 3.14Å; D347-Q676 WeakPolarHBondContact OD1-CG 3.32Å; D347-Q676 PolarHBondContact OD1-NE2 3.23Å; D347-Q676 PolarHBondContact OD1-OE1 2.8Å
348	M	84.3	Confident	63	Low	2 Å²	2	74.9 Å²	74.9	1%	0.01	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.8	-176.1	-66.3	169.4	-76.6	0	0	110.9	F364 T365 Q676 M766 A768	M348-F364 CarbonylContact C-O 3.43Å; M348-F364 WeakPolarHBondContact CA-O 3.24Å; M348-T365 HydrophobicContact CG-CG2 3.94Å; M348-Q676 WeakPolarHBondContact O-CG 3.19Å; M348-M766 HydrophobicContact CB-CE 3.52Å; M348-M766 HydrophobicContact CB-CG 4.28Å; M348-M766 HydrophobicContact CB-SD 3.84Å; M348-M766 HydrophobicContact CE-CG 3.94Å; M348-M766 WeakPolarHBondContact O-CE 3.24Å; M348-M766 HydrophobicContact SD-CG 3.77Å; M348-M766 HydrophobicContact SD-SD 4.21Å; M348-A768 HydrophobicContact CE-CB 3.74Å; M348-A768 HydrophobicContact SD-CB 3.73Å
349	K	83	Confident	63.3	Low	23 Å²	23	70.1 Å²	70.1	10%	0.1	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.5	173.5	-174.3	164	177.2	170.7	0	112	M351 R363 F364 F422 G424 D681	K349-M351 HydrophobicContact CD-CG 4.1Å; K349-M351 HydrophobicContact CD-SD 4.45Å; K349-M351 HydrophobicContact CG-CG 4.02Å; K349-R363 CarbonylContact O-C 3.48Å; K349-R363 VanDerWaalsContact O-CA 3.31Å; K349-R363 WeakPolarHBondContact O-CA 3.38Å; K349-F364 PolarHBondContact N-O 3.35Å; K349-F364 PolarHBondContact O-N 2.87Å; K349-F422 HydrophobicContact CB-CB 4.22Å; K349-F422 HydrophobicContact CB-CD1 4.36Å; K349-F422 HydrophobicContact CB-CD2 3.47Å; K349-F422 VanDerWaalsContact CB-CD2 3.47Å; K349-F422 HydrophobicContact CB-CE2 3.77Å; K349-F422 HydrophobicContact CB-CG 3.78Å; K349-F422 HydrophobicContact CB-CZ 4.34Å; K349-F422 HydrophobicContact CD-CB 3.79Å; K349-F422 HydrophobicContact CD-CD1 4.25Å; K349-F422 HydrophobicContact CD-CG 3.97Å; K349-G424 PolarHBondContact NZ-O 3.04Å; K349-D681 WeakPolarHBondContact CE-OD1 3.45Å; K349-D681 WeakPolarHBondContact CE-OD2 3.48Å; K349-D681 IonicContact NZ-OD1 3.05Å; K349-D681 PolarHBondContact NZ-OD1 3.28Å; K349-D681 IonicContact NZ-OD2 2.73Å; K349-D681 PolarHBondContact NZ-OD2 2.9Å
350	L	77.6	Confident	64.4	Low	24 Å²	24	64.5 Å²	64.5	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127	164	-63	176.7	0	0	0	107.8	I361 R363 L382 V678 M766	L350-I361 HydrophobicContact CD2-CG2 4.39Å; L350-R363 HydrophobicContact CD2-CB 3.77Å; L350-R363 HydrophobicContact CD2-CG 4Å; L350-L382 HydrophobicContact CD2-CD1 4.05Å; L350-V678 HydrophobicContact CD1-CG1 4.25Å; L350-M766 HydrophobicContact CD2-SD 4.21Å; L350-M766 HydrophobicContact CG-CE 4.13Å; L350-M766 HydrophobicContact CG-SD 4.05Å
351	M	74.2	Confident	65.5	Low	52 Å²	52	61.5 Å²	61.5	26%	0.256	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	151.7	173.3	-69	177.6	66.7	0	0	109.9	K349 I361 H362 F364	K349-M351 HydrophobicContact CD-CG 4.1Å; K349-M351 HydrophobicContact CD-SD 4.45Å; K349-M351 HydrophobicContact CG-CG 4.02Å; M351-I361 WeakPolarHBondContact O-CA 3.45Å; M351-H362 PolarHBondContact N-O 2.82Å; M351-H362 PolarHBondContact O-N 3.47Å; M351-F364 HydrophobicContact CB-CD2 4.14Å; M351-F364 HydrophobicContact CB-CE2 3.93Å; M351-F364 HydrophobicContact CG-CD2 4Å; M351-F364 HydrophobicContact CG-CE2 4.1Å; M351-F364 HydrophobicContact SD-CD2 3.65Å; M351-F364 HydrophobicContact SD-CE2 3.56Å; M351-F364 VanDerWaalsContact SD-CE2 3.56Å; M351-F364 HydrophobicContact SD-CZ 4.44Å
352	I	67.3	Low	66.5	Low	50 Å²	50	60.2 Å²	60.2	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.2	175.8	-31.7	178.6	0	0	0	106.8	H354 C359 I758	I352-H354 PolarHBondContact O-N 3.32Å; I352-C359 HydrophobicContact CG2-CB 4.43Å; I352-I758 HydrophobicContact CB-CD1 4.14Å; I352-I758 HydrophobicContact CD1-CB 4.3Å; I352-I758 HydrophobicContact CD1-CD1 3.69Å; I352-I758 HydrophobicContact CD1-CG2 3.94Å; I352-I758 HydrophobicContact CG1-CD1 3.64Å; I352-I758 HydrophobicContact CG1-CG2 4.31Å; I352-I758 HydrophobicContact CG2-CD1 3.57Å
353	N	62.5	Low	67.6	Low	45 Å²	45	54.8 Å²	54.8	24%	0.241	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.2	158.7	-168.5	8	0	0	0	108	E355 D356 N360	N353-E355 WeakPolarHBondContact OD1-CB 3.36Å; N353-E355 PolarHBondContact OD1-N 3.18Å; N353-D356 PolarHBondContact ND2-OD2 3.36Å; N353-N360 HydrophobicContact CB-CB 4.38Å; N353-N360 PolarHBondContact N-O 3.04Å
354	H	58.2	Low	68.6	Low	137 Å²	137	53 Å²	53	63%	0.634	27%	0.267	S	S	*	.			trans	-95.5	-8.9	176.7	-75	-72.2	0	0	0	113	I352	I352-H354 PolarHBondContact O-N 3.32Å
355	E	54.5	Low	69.5	Low	169 Å²	169	48.2 Å²	48.2	79%	0.79	25%	0.246	S	C	*	.	S	Bend	trans	-80.6	-26.8	-178.8	-55.3	-170.4	151.6	0	0	112.1	N353	N353-E355 WeakPolarHBondContact OD1-CB 3.36Å; N353-E355 PolarHBondContact OD1-N 3.18Å
356	D	50.7	Low	70.4	Confident	69 Å²	69	47.7 Å²	47.7	37%	0.369	24%	0.243	S	C	.	.	S	Bend	trans	-79.7	128.3	169.9	-74.7	-53.9	0	0	0	111.6	N353 N358 N360	N353-D356 PolarHBondContact ND2-OD2 3.36Å; D356-N358 WeakPolarHBondContact CB-O 3.37Å; D356-N358 CarbonylContact O-C 3.53Å; D356-N358 VanDerWaalsContact O-C 3.32Å; D356-N358 PolarHBondContact O-N 3.46Å; D356-N358 VanDerWaalsContact O-N 3.09Å; D356-N360 VanDerWaalsContact CG-ND2 3.28Å; D356-N360 PolarHBondContact OD2-ND2 3.04Å
357	N	47.3	Very low	70.8	Confident	166 Å²	166	46.5 Å²	46.5	89%	0.888	24%	0.237	S	C	*	.	S	Bend	trans	-55.7	-25.3	168.1	-81.2	-43.7	0	0	0	112.8
358	N	53.5	Low	70.9	Confident	123 Å²	123	46.8 Å²	46.8	66%	0.658	24%	0.238	S	C	*	.	S	Bend	trans	-88.9	104.9	163	-68.2	-42.1	0	0	0	108.2	D356 N360	D356-N358 WeakPolarHBondContact CB-O 3.37Å; D356-N358 CarbonylContact O-C 3.53Å; D356-N358 VanDerWaalsContact O-C 3.32Å; D356-N358 PolarHBondContact O-N 3.46Å; D356-N358 VanDerWaalsContact O-N 3.09Å; N358-N360 VanDerWaalsContact C-N 3.33Å; N358-N360 PolarHBondContact O-N 2.93Å; N358-N360 PolarHBondContact O-ND2 3.27Å; N358-N360 PolarHBondContact O-OD1 3.36Å
359	C	56.5	Low	70.9	Confident	36 Å²	36	47.5 Å²	47.5	24%	0.243	24%	0.242	C	C	.	.			trans	-60.3	91.5	-179.5	-55.9	0	0	0	0	111.6	I352 S754	I352-C359 HydrophobicContact CG2-CB 4.43Å; C359-S754 PolarHBondContact SG-OG 3.17Å; C359-S754 VanDerWaalsContact SG-OG 3.37Å
360	N	65.6	Low	70.9	Confident	13 Å²	13	51.8 Å²	51.8	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.8	-172.1	-76	-37.9	0	0	0	109.4	N353 D356 N358 Q381	N353-N360 HydrophobicContact CB-CB 4.38Å; N353-N360 PolarHBondContact N-O 3.04Å; D356-N360 VanDerWaalsContact CG-ND2 3.28Å; D356-N360 PolarHBondContact OD2-ND2 3.04Å; N358-N360 VanDerWaalsContact C-N 3.33Å; N358-N360 PolarHBondContact O-N 2.93Å; N358-N360 PolarHBondContact O-ND2 3.27Å; N358-N360 PolarHBondContact O-OD1 3.36Å; N360-Q381 HydrophobicContact CB-CG 4.46Å; N360-Q381 PolarHBondContact ND2-NE2 2.89Å; N360-Q381 PolarHBondContact OD1-NE2 2.92Å
361	I	71.2	Confident	71.2	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.5	-176.4	-60.8	165.2	0	0	0	107.9	L350 M351 L382 F384 I758	L350-I361 HydrophobicContact CD2-CG2 4.39Å; M351-I361 WeakPolarHBondContact O-CA 3.45Å; I361-L382 WeakPolarHBondContact O-CB 3.44Å; I361-L382 PolarHBondContact O-N 2.85Å; I361-F384 HydrophobicContact CB-CE2 4.02Å; I361-F384 HydrophobicContact CD1-CD2 3.46Å; I361-F384 VanDerWaalsContact CD1-CD2 3.46Å; I361-F384 HydrophobicContact CD1-CE2 3.35Å; I361-F384 HydrophobicContact CD1-CG 4.34Å; I361-F384 HydrophobicContact CD1-CZ 4.14Å; I361-F384 HydrophobicContact CG1-CE2 4.27Å; I361-F384 HydrophobicContact CG2-CE2 3.85Å; I361-I758 HydrophobicContact CD1-CD1 3.54Å; I361-I758 HydrophobicContact CD1-CG1 3.58Å; I361-I758 HydrophobicContact CG1-CD1 3.5Å; I361-I758 HydrophobicContact CG1-CG1 4.12Å
362	H	75.5	Confident	71.8	Confident	23 Å²	23	57 Å²	57	11%	0.106	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123	177.6	-65.6	-90	0	0	0	109.2	M351 F364 Q380	M351-H362 PolarHBondContact N-O 2.82Å; M351-H362 PolarHBondContact O-N 3.47Å; H362-F364 HydrophobicContact CB-CD2 4.25Å; H362-F364 HydrophobicContact CB-CE2 3.72Å; H362-F364 HydrophobicContact CB-CZ 4.27Å; H362-Q380 CarbonylContact C-O 3.32Å; H362-Q380 WeakPolarHBondContact CA-O 3.33Å
363	R	78.7	Confident	72.7	Confident	5 Å²	5	56 Å²	56	2%	0.019	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.3	160.3	-172	-174.6	69.8	-98.5	-15.5	108.3	C335 K349 L350 T365 Q380 L382 M766	C335-R363 PolarHBondContact SG-NH2 3.46Å; K349-R363 CarbonylContact O-C 3.48Å; K349-R363 VanDerWaalsContact O-CA 3.31Å; K349-R363 WeakPolarHBondContact O-CA 3.38Å; L350-R363 HydrophobicContact CD2-CB 3.77Å; L350-R363 HydrophobicContact CD2-CG 4Å; R363-T365 PolarHBondContact NE-OG1 3.25Å; R363-T365 VanDerWaalsContact NE-OG1 3.16Å; R363-Q380 PolarHBondContact N-O 2.96Å; R363-Q380 PolarHBondContact O-N 3.4Å; R363-L382 HydrophobicContact CB-CD1 3.64Å; R363-L382 HydrophobicContact CB-CG 4.43Å; R363-M766 HydrophobicContact CG-SD 4.22Å
364	F	82.1	Confident	73.9	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.088	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	139.4	163.3	-67.4	-85.6	0	0	0	109	M348 K349 M351 H362 L377 W378 K379 F422 I465	M348-F364 CarbonylContact C-O 3.43Å; M348-F364 WeakPolarHBondContact CA-O 3.24Å; K349-F364 PolarHBondContact N-O 3.35Å; K349-F364 PolarHBondContact O-N 2.87Å; M351-F364 HydrophobicContact CB-CD2 4.14Å; M351-F364 HydrophobicContact CB-CE2 3.93Å; M351-F364 HydrophobicContact CG-CD2 4Å; M351-F364 HydrophobicContact CG-CE2 4.1Å; M351-F364 HydrophobicContact SD-CD2 3.65Å; M351-F364 HydrophobicContact SD-CE2 3.56Å; M351-F364 VanDerWaalsContact SD-CE2 3.56Å; M351-F364 HydrophobicContact SD-CZ 4.44Å; H362-F364 HydrophobicContact CB-CD2 4.25Å; H362-F364 HydrophobicContact CB-CE2 3.72Å; H362-F364 HydrophobicContact CB-CZ 4.27Å; F364-L377 HydrophobicContact CB-CD1 4.09Å; F364-L377 HydrophobicContact CD1-CD1 3.89Å; F364-L377 HydrophobicContact CD1-CD2 4.03Å; F364-L377 HydrophobicContact CD1-CG 4.14Å; F364-L377 HydrophobicContact CE1-CD2 4.32Å; F364-L377 HydrophobicContact CG-CD1 4.46Å; F364-W378 CarbonylContact C-O 3.54Å; F364-W378 VanDerWaalsContact CA-O 3.27Å; F364-W378 WeakPolarHBondContact CA-O 3.17Å; F364-K379 HydrophobicContact CD1-CB 3.99Å; F364-K379 HydrophobicContact CD1-CG 4.29Å; F364-K379 HydrophobicContact CE1-CB 3.72Å; F364-K379 HydrophobicContact CE1-CD 3.79Å; F364-K379 HydrophobicContact CE1-CG 3.62Å; F364-K379 HydrophobicContact CZ-CD 4.01Å; F364-K379 HydrophobicContact CZ-CG 3.93Å; F364-F422 HydrophobicContact CB-CE1 4.34Å; F364-F422 HydrophobicContact CB-CE2 4.17Å; F364-F422 HydrophobicContact CB-CZ 3.62Å; F364-I465 HydrophobicContact CD1-CD1 4.46Å; F364-I465 HydrophobicContact CE1-CD1 4.48Å
365	T	84.3	Confident	75.4	Confident	10 Å²	10	50.3 Å²	50.3	6%	0.061	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.3	178.2	-59.4	0	0	0	0	108.5	P345 M348 R363 W378	P345-T365 HydrophobicContact CB-CG2 4.09Å; M348-T365 HydrophobicContact CG-CG2 3.94Å; R363-T365 PolarHBondContact NE-OG1 3.25Å; R363-T365 VanDerWaalsContact NE-OG1 3.16Å; T365-W378 PolarHBondContact N-O 2.85Å; T365-W378 PolarHBondContact O-N 2.99Å
366	L	87.4	Confident	77	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	134.6	179.3	-70.5	172	0	0	0	110.3	I346 D347 L375 L377 L420 F422 I427	I346-L366 PolarHBondContact N-O 2.86Å; D347-L366 HydrophobicContact CB-CD1 4.47Å; D347-L366 PolarHBondContact N-O 2.67Å; D347-L366 PolarHBondContact O-N 3.03Å; L366-L375 HydrophobicContact CD2-CD1 4.12Å; L366-L377 HydrophobicContact CD2-CB 4.34Å; L366-L377 HydrophobicContact CD2-CD1 3.59Å; L366-L377 HydrophobicContact CG-CD1 4.26Å; L366-L420 HydrophobicContact CB-CD1 4.24Å; L366-L420 HydrophobicContact CD1-CB 4.29Å; L366-L420 HydrophobicContact CD1-CD2 4.45Å; L366-F422 HydrophobicContact CB-CE2 4.39Å; L366-F422 HydrophobicContact CD1-CD1 4.22Å; L366-F422 HydrophobicContact CD1-CD2 3.71Å; L366-F422 HydrophobicContact CD1-CE1 3.94Å; L366-F422 HydrophobicContact CD1-CE2 3.41Å; L366-F422 VanDerWaalsContact CD1-CE2 3.41Å; L366-F422 HydrophobicContact CD1-CG 4.11Å; L366-F422 HydrophobicContact CD1-CZ 3.53Å; L366-F422 HydrophobicContact CD2-CZ 4.01Å; L366-F422 HydrophobicContact CG-CD2 4.26Å; L366-F422 HydrophobicContact CG-CE1 4.23Å; L366-F422 HydrophobicContact CG-CE2 3.46Å; L366-F422 VanDerWaalsContact CG-CE2 3.46Å; L366-F422 HydrophobicContact CG-CZ 3.44Å; L366-F422 VanDerWaalsContact CG-CZ 3.44Å; L366-I427 HydrophobicContact CD1-CG1 4.2Å; L366-I427 HydrophobicContact CD1-CG2 3.8Å; L366-I427 HydrophobicContact CD2-CD1 3.86Å; L366-I427 HydrophobicContact CD2-CG1 4.44Å
367	T	87	Confident	78.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	177.7	170.8	-168.2	0	0	0	0	108.6	Y343 Q344 L376	Y343-T367 VanDerWaalsContact CB-OG1 3.27Å; Y343-T367 WeakPolarHBondContact CB-OG1 3.4Å; Y343-T367 HydrophobicContact CD2-CG2 4.37Å; Q344-T367 VanDerWaalsContact C-OG1 3.24Å; Q344-T367 WeakPolarHBondContact O-CB 3.31Å; Q344-T367 PolarHBondContact O-OG1 2.89Å; T367-L376 HydrophobicContact CG2-CB 3.61Å; T367-L376 HydrophobicContact CG2-CD2 4.2Å; T367-L376 PolarHBondContact N-O 2.95Å; T367-L376 PolarHBondContact O-N 2.83Å
368	T	86.7	Confident	80.4	Confident	7 Å²	7	32 Å²	32	4%	0.043	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	165	174	59.5	0	0	0	0	109.2	Y343 I346 C372 E374 I417 L420	Y343-T368 VanDerWaalsContact CB-O 3.28Å; Y343-T368 WeakPolarHBondContact CB-O 3.05Å; Y343-T368 VanDerWaalsContact CD1-O 3.29Å; Y343-T368 WeakPolarHBondContact CD1-O 3.2Å; Y343-T368 VanDerWaalsContact CG-O 3.29Å; I346-T368 HydrophobicContact CD1-CG2 3.82Å; T368-C372 PolarHBondContact OG1-SG 3.02Å; T368-E374 CarbonylContact C-O 3.26Å; T368-E374 WeakPolarHBondContact CA-O 3.37Å; T368-E374 WeakPolarHBondContact CB-O 3.42Å; T368-I417 HydrophobicContact CG2-CB 3.72Å; T368-I417 HydrophobicContact CG2-CD1 4.16Å; T368-I417 HydrophobicContact CG2-CG2 3.64Å; T368-L420 HydrophobicContact CG2-CD1 3.94Å
369	N	84.8	Confident	81.8	Confident	16 Å²	16	28 Å²	28	9%	0.086	14%	0.14	C	C	.	.			trans	-70.4	-177.9	169.1	80.1	0.8	0	0	0	112	Y343 K371 C372 D373 E374 L376	Y343-N369 HydrophobicContact CE1-CB 4.15Å; N369-K371 PolarHBondContact O-N 2.97Å; N369-K371 PolarHBondContact OD1-N 3.49Å; N369-C372 PolarHBondContact O-N 2.81Å; N369-C372 VanDerWaalsContact O-N 3.07Å; N369-C372 PolarHBondContact OD1-N 3.37Å; N369-D373 VanDerWaalsContact CG-OD1 3.29Å; N369-D373 PolarHBondContact ND2-OD1 2.83Å; N369-D373 PolarHBondContact OD1-N 3.11Å; N369-D373 PolarHBondContact OD1-OD1 3.17Å; N369-D373 VanDerWaalsContact OD1-OD1 3.11Å; N369-E374 HydrophobicContact CB-CB 3.98Å; N369-E374 PolarHBondContact N-O 2.88Å; N369-E374 WeakPolarHBondContact ND2-CG 3.4Å; N369-E374 PolarHBondContact ND2-OE2 3.07Å; N369-L376 HydrophobicContact CB-CD1 4.08Å
370	L	82.6	Confident	82.7	Confident	114 Å²	114	26.3 Å²	26.3	60%	0.597	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.1	-176.6	-115.7	175.3	0	0	0	114.9	I342 Y343	I342-L370 HydrophobicContact CB-CD1 4.21Å; I342-L370 HydrophobicContact CB-CD2 3.81Å; I342-L370 HydrophobicContact CB-CG 3.97Å; I342-L370 HydrophobicContact CG2-CD2 3.92Å; I342-L370 WeakPolarHBondContact O-CG 3.41Å; Y343-L370 HydrophobicContact CE1-CB 4.33Å; Y343-L370 HydrophobicContact CE1-CG 4.43Å
371	K	84.1	Confident	83.1	Confident	148 Å²	148	28.2 Å²	28.2	64%	0.643	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-13	177.3	-61.7	174.7	179.3	176.3	0	112.5	N369 D373	N369-K371 PolarHBondContact O-N 2.97Å; N369-K371 PolarHBondContact OD1-N 3.49Å; K371-D373 VanDerWaalsContact C-N 3.31Å; K371-D373 WeakPolarHBondContact CD-OD2 3.38Å; K371-D373 IonicContact NZ-OD2 3.06Å
372	C	86.6	Confident	83	Confident	36 Å²	36	28 Å²	28	24%	0.243	14%	0.136	C	C	.	.	S	Bend	trans	62.6	24.1	-166.4	-48.1	0	0	0	0	115.7	T368 N369 K416 I417	T368-C372 PolarHBondContact OG1-SG 3.02Å; N369-C372 PolarHBondContact O-N 2.81Å; N369-C372 VanDerWaalsContact O-N 3.07Å; N369-C372 PolarHBondContact OD1-N 3.37Å; C372-K416 HydrophobicContact CB-CG 4.27Å; C372-K416 CarbonylContact O-C 3.56Å; C372-K416 WeakPolarHBondContact O-CA 3.45Å; C372-I417 WeakPolarHBondContact CB-O 3.39Å; C372-I417 PolarHBondContact O-N 3.3Å
373	D	87.1	Confident	82.4	Confident	29 Å²	29	30.6 Å²	30.6	16%	0.155	15%	0.148	C	C	.	.			trans	-95.6	-13.3	177	55.7	15.9	0	0	0	114	N369 K371 P414	N369-D373 VanDerWaalsContact CG-OD1 3.29Å; N369-D373 PolarHBondContact ND2-OD1 2.83Å; N369-D373 PolarHBondContact OD1-N 3.11Å; N369-D373 PolarHBondContact OD1-OD1 3.17Å; N369-D373 VanDerWaalsContact OD1-OD1 3.11Å; K371-D373 VanDerWaalsContact C-N 3.31Å; K371-D373 WeakPolarHBondContact CD-OD2 3.38Å; K371-D373 IonicContact NZ-OD2 3.06Å; D373-P414 HydrophobicContact CB-CB 3.98Å
374	E	87.9	Confident	81.5	Confident	63 Å²	63	33.1 Å²	33.1	29%	0.294	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136	174.7	-69.4	163	172.2	0	0	111.9	T368 N369 L376 Q406	T368-E374 CarbonylContact C-O 3.26Å; T368-E374 WeakPolarHBondContact CA-O 3.37Å; T368-E374 WeakPolarHBondContact CB-O 3.42Å; N369-E374 HydrophobicContact CB-CB 3.98Å; N369-E374 PolarHBondContact N-O 2.88Å; N369-E374 WeakPolarHBondContact ND2-CG 3.4Å; N369-E374 PolarHBondContact ND2-OE2 3.07Å; E374-L376 HydrophobicContact CB-CD1 3.84Å; E374-Q406 HydrophobicContact CG-CG 3.42Å; E374-Q406 VanDerWaalsContact CG-CG 3.42Å; E374-Q406 PolarHBondContact OE1-NE2 2.51Å
375	L	89.5	Confident	80.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128	168.5	-178	58.1	0	0	0	109.6	L366 S404 S405 I407 I417 L420 I427 L429 F507	L366-L375 HydrophobicContact CD2-CD1 4.12Å; L375-S404 VanDerWaalsContact O-CA 3.26Å; L375-S404 WeakPolarHBondContact O-CA 3.44Å; L375-S405 PolarHBondContact N-O 3.41Å; L375-S405 PolarHBondContact O-N 3.46Å; L375-S405 VanDerWaalsContact O-N 3.16Å; L375-I407 HydrophobicContact CB-CD1 4.21Å; L375-I407 HydrophobicContact CB-CG1 4.01Å; L375-I407 HydrophobicContact CD2-CD1 4.11Å; L375-I407 HydrophobicContact CD2-CG1 4.35Å; L375-I417 HydrophobicContact CB-CD1 3.89Å; L375-I417 HydrophobicContact CD1-CD1 4.43Å; L375-L420 HydrophobicContact CD1-CD1 3.6Å; L375-L420 HydrophobicContact CD1-CD2 3.53Å; L375-L420 HydrophobicContact CD1-CG 4.23Å; L375-I427 HydrophobicContact CD2-CD1 4.47Å; L375-L429 HydrophobicContact CD2-CD2 4.34Å; L375-F507 HydrophobicContact CB-CD2 4.11Å; L375-F507 HydrophobicContact CB-CE2 4.05Å; L375-F507 HydrophobicContact CD2-CB 4.44Å; L375-F507 HydrophobicContact CD2-CD1 4.22Å; L375-F507 HydrophobicContact CD2-CD2 3.8Å; L375-F507 HydrophobicContact CD2-CE1 4.47Å; L375-F507 HydrophobicContact CD2-CE2 4.07Å; L375-F507 HydrophobicContact CD2-CG 3.9Å; L375-F507 HydrophobicContact CD2-CZ 4.4Å; L375-F507 HydrophobicContact CG-CD2 4.1Å; L375-F507 HydrophobicContact CG-CE2 3.92Å; L375-F507 HydrophobicContact CG-CZ 4.31Å; L375-F507 WeakPolarHBondContact O-CE2 3.48Å
376	L	87.9	Confident	78.8	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.3	178.6	-86	65	0	0	0	110.3	Y343 T367 N369 E374	Y343-L376 HydrophobicContact CD2-CD2 3.81Å; Y343-L376 HydrophobicContact CE2-CD2 3.57Å; T367-L376 HydrophobicContact CG2-CB 3.61Å; T367-L376 HydrophobicContact CG2-CD2 4.2Å; T367-L376 PolarHBondContact N-O 2.95Å; T367-L376 PolarHBondContact O-N 2.83Å; N369-L376 HydrophobicContact CB-CD1 4.08Å; E374-L376 HydrophobicContact CB-CD1 3.84Å
377	L	87.6	Confident	77.1	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.1	173.2	-179.5	73.8	0	0	0	110.3	F364 L366 Q402 I403 F422 I465 F507	F364-L377 HydrophobicContact CB-CD1 4.09Å; F364-L377 HydrophobicContact CD1-CD1 3.89Å; F364-L377 HydrophobicContact CD1-CD2 4.03Å; F364-L377 HydrophobicContact CD1-CG 4.14Å; F364-L377 HydrophobicContact CE1-CD2 4.32Å; F364-L377 HydrophobicContact CG-CD1 4.46Å; L366-L377 HydrophobicContact CD2-CB 4.34Å; L366-L377 HydrophobicContact CD2-CD1 3.59Å; L366-L377 HydrophobicContact CG-CD1 4.26Å; L377-Q402 WeakPolarHBondContact O-CA 3.5Å; L377-I403 HydrophobicContact CB-CB 4.4Å; L377-I403 PolarHBondContact N-O 3.23Å; L377-I403 PolarHBondContact O-N 3.14Å; L377-F422 HydrophobicContact CD1-CE1 4.4Å; L377-F422 HydrophobicContact CD1-CZ 3.84Å; L377-I465 HydrophobicContact CD1-CD1 4.34Å; L377-I465 HydrophobicContact CD2-CD1 3.58Å; L377-I465 HydrophobicContact CD2-CG1 3.87Å; L377-I465 HydrophobicContact CD2-CG2 3.95Å; L377-F507 HydrophobicContact CB-CE1 3.92Å; L377-F507 HydrophobicContact CB-CZ 3.65Å; L377-F507 HydrophobicContact CD2-CE1 4.05Å
378	W	82.8	Confident	75.4	Confident	16 Å²	16	48.6 Å²	48.6	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.8	172.6	-58.1	87.2	0	0	0	110.3	F364 T365 L400 N401 Q402	F364-W378 CarbonylContact C-O 3.54Å; F364-W378 VanDerWaalsContact CA-O 3.27Å; F364-W378 WeakPolarHBondContact CA-O 3.17Å; T365-W378 PolarHBondContact N-O 2.85Å; T365-W378 PolarHBondContact O-N 2.99Å; W378-L400 HydrophobicContact CB-CD1 4.23Å; W378-L400 HydrophobicContact CE3-CD1 3.92Å; W378-L400 HydrophobicContact CE3-CD2 3.89Å; W378-L400 HydrophobicContact CE3-CG 3.96Å; W378-L400 HydrophobicContact CZ3-CD2 3.97Å; W378-L400 HydrophobicContact CZ3-CG 4.35Å; W378-N401 WeakPolarHBondContact CA-O 3.44Å; W378-Q402 HydrophobicContact CD2-CB 4.42Å; W378-Q402 HydrophobicContact CD2-CG 4.14Å; W378-Q402 HydrophobicContact CE3-CB 3.78Å; W378-Q402 HydrophobicContact CE3-CG 3.91Å; W378-Q402 HydrophobicContact CH2-CB 4.46Å; W378-Q402 VanDerWaalsContact CH2-CD 3.44Å; W378-Q402 HydrophobicContact CH2-CG 4.06Å; W378-Q402 HydrophobicContact CZ2-CG 4.22Å; W378-Q402 HydrophobicContact CZ3-CB 3.82Å; W378-Q402 HydrophobicContact CZ3-CG 3.88Å
379	K	81.2	Confident	73.9	Confident	37 Å²	37	48.7 Å²	48.7	16%	0.161	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.5	176	175.8	179.1	177.9	177.1	0	108.9	F364 N401 D469	F364-K379 HydrophobicContact CD1-CB 3.99Å; F364-K379 HydrophobicContact CD1-CG 4.29Å; F364-K379 HydrophobicContact CE1-CB 3.72Å; F364-K379 HydrophobicContact CE1-CD 3.79Å; F364-K379 HydrophobicContact CE1-CG 3.62Å; F364-K379 HydrophobicContact CZ-CD 4.01Å; F364-K379 HydrophobicContact CZ-CG 3.93Å; K379-N401 HydrophobicContact CB-CB 4.3Å; K379-N401 PolarHBondContact N-O 3.2Å; K379-N401 PolarHBondContact O-N 3Å; K379-D469 IonicContact NZ-OD1 3.12Å; K379-D469 PolarHBondContact NZ-OD1 2.67Å; K379-D469 IonicContact NZ-OD2 3.83Å; K379-D469 PolarHBondContact NZ-OD2 2.83Å
380	Q	75.5	Confident	72.3	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.4	177	178.8	165.6	86.8	0	0	110.8	D333 C334 H362 R363 L382 L391 L400	D333-Q380 PolarHBondContact O-NE2 2.81Å; C334-Q380 VanDerWaalsContact CA-OE1 3.28Å; H362-Q380 CarbonylContact C-O 3.32Å; H362-Q380 WeakPolarHBondContact CA-O 3.33Å; R363-Q380 PolarHBondContact N-O 2.96Å; R363-Q380 PolarHBondContact O-N 3.4Å; Q380-L382 HydrophobicContact CG-CD2 4.05Å; Q380-L391 HydrophobicContact CG-CD1 3.79Å; Q380-L391 VanDerWaalsContact NE2-CD1 3.27Å; Q380-L400 HydrophobicContact CB-CD1 4.06Å
381	Q	74.9	Confident	70.8	Confident	54 Å²	54	48 Å²	48	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.8	170.4	-170.9	173	-7.4	0	0	110.6	N360 H383 I392	N360-Q381 HydrophobicContact CB-CG 4.46Å; N360-Q381 PolarHBondContact ND2-NE2 2.89Å; N360-Q381 PolarHBondContact OD1-NE2 2.92Å; Q381-H383 PolarHBondContact NE2-NE2 2.94Å; Q381-I392 HydrophobicContact CG-CD1 4.09Å
382	L	68.2	Low	69.1	Low	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.5	-174.9	-63.6	174.5	0	0	0	110.8	L350 I361 R363 Q380 F384 F389	L350-L382 HydrophobicContact CD2-CD1 4.05Å; I361-L382 WeakPolarHBondContact O-CB 3.44Å; I361-L382 PolarHBondContact O-N 2.85Å; R363-L382 HydrophobicContact CB-CD1 3.64Å; R363-L382 HydrophobicContact CB-CG 4.43Å; Q380-L382 HydrophobicContact CG-CD2 4.05Å; L382-F384 HydrophobicContact CB-CE2 4.36Å; L382-F389 HydrophobicContact CB-CD1 4.35Å; L382-F389 HydrophobicContact CD1-CD1 3.8Å; L382-F389 HydrophobicContact CD1-CE1 3.93Å; L382-F389 HydrophobicContact CD2-CD1 4.23Å; L382-F389 HydrophobicContact CG-CD1 4.37Å
383	H	63.8	Low	67.3	Low	78 Å²	78	48 Å²	48	36%	0.361	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.8	167.6	-74.6	-90.9	0	0	0	110.9	Q381 N390 I392	Q381-H383 PolarHBondContact NE2-NE2 2.94Å; H383-N390 PolarHBondContact N-O 2.7Å; H383-N390 VanDerWaalsContact N-O 3.14Å; H383-N390 PolarHBondContact O-N 2.56Å; H383-I392 VanDerWaalsContact CD2-CG1 3.4Å; H383-I392 WeakPolarHBondContact CD2-CG1 3.41Å; H383-I392 WeakPolarHBondContact NE2-CD1 3.22Å
384	F	58.7	Low	65.1	Low	57 Å²	57	52.1 Å²	52.1	25%	0.25	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110	175.9	-74.2	-115.2	0	0	0	108.8	L328 I361 L382 F389 L761	L328-F384 HydrophobicContact CD1-CE1 4.43Å; I361-F384 HydrophobicContact CB-CE2 4.02Å; I361-F384 HydrophobicContact CD1-CD2 3.46Å; I361-F384 VanDerWaalsContact CD1-CD2 3.46Å; I361-F384 HydrophobicContact CD1-CE2 3.35Å; I361-F384 HydrophobicContact CD1-CG 4.34Å; I361-F384 HydrophobicContact CD1-CZ 4.14Å; I361-F384 HydrophobicContact CG1-CE2 4.27Å; I361-F384 HydrophobicContact CG2-CE2 3.85Å; L382-F384 HydrophobicContact CB-CE2 4.36Å; F384-F389 HydrophobicContact CD1-CE1 4.5Å; F384-F389 HydrophobicContact CE1-CD1 4.4Å; F384-F389 AromaticContact CE1-CE1 3.66Å; F384-F389 HydrophobicContact CE1-CE1 3.66Å; F384-F389 AromaticContact CE1-CZ 3.87Å; F384-F389 HydrophobicContact CE1-CZ 3.87Å; F384-F389 HydrophobicContact CE2-CD1 4.14Å; F384-F389 AromaticContact CE2-CE1 3.71Å; F384-F389 HydrophobicContact CE2-CE1 3.71Å; F384-F389 HydrophobicContact CZ-CD1 4.04Å; F384-F389 AromaticContact CZ-CE1 3.22Å; F384-F389 HydrophobicContact CZ-CE1 3.22Å; F384-F389 AromaticContact CZ-CZ 3.81Å; F384-F389 HydrophobicContact CZ-CZ 3.81Å; F384-L761 HydrophobicContact CE1-CD1 3.65Å; F384-L761 HydrophobicContact CE1-CD2 4.17Å; F384-L761 HydrophobicContact CZ-CD1 3.67Å
385	N	56.2	Low	62.9	Low	90 Å²	90	57 Å²	57	48%	0.481	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	128.3	170.6	-166.5	-7	0	0	0	109.3	G387 F388	N385-G387 PolarHBondContact O-N 2.92Å; N385-F388 PolarHBondContact N-O 3.24Å; N385-F388 PolarHBondContact O-N 2.91Å
386	N	53.9	Low	60.7	Low	133 Å²	133	63.6 Å²	63.6	71%	0.711	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	26.3	179.8	-64.4	-31.6	0	0	0	116.2	F388	N386-F388 HydrophobicContact CB-CD2 4.31Å; N386-F388 WeakPolarHBondContact O-CD2 3.27Å
387	G	52.4	Low	58.7	Low	30 Å²	30	73.3 Å²	73.3	31%	0.309	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	4.4	-178.8	0	0	0	0	0	115.5	L328 T329 N385	L328-G387 WeakPolarHBondContact CA-O 3.34Å; T329-G387 PolarHBondContact N-O 3.2Å; N385-G387 PolarHBondContact O-N 2.92Å
388	F	51.5	Low	57	Low	103 Å²	103	80.7 Å²	80.7	45%	0.452	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	145.3	175.5	-62.9	-90.2	0	0	0	111.4	T329 N385 N386 N390	T329-F388 HydrophobicContact CG2-CE1 4.46Å; N385-F388 PolarHBondContact N-O 3.24Å; N385-F388 PolarHBondContact O-N 2.91Å; N386-F388 HydrophobicContact CB-CD2 4.31Å; N386-F388 WeakPolarHBondContact O-CD2 3.27Å; F388-N390 PolarHBondContact O-N 3.48Å
389	F	53.9	Low	55.9	Low	9 Å²	9	81 Å²	81	4%	0.039	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	98.2	167	-71.5	-80.4	0	0	0	109.2	L328 T329 G331 L382 F384 V775	L328-F389 HydrophobicContact CB-CD2 4.37Å; L328-F389 HydrophobicContact CB-CE2 3.67Å; L328-F389 HydrophobicContact CB-CZ 4.38Å; L328-F389 WeakPolarHBondContact O-CE2 3.39Å; T329-F389 PolarHBondContact O-N 2.98Å; G331-F389 WeakPolarHBondContact CA-O 3.11Å; L382-F389 HydrophobicContact CB-CD1 4.35Å; L382-F389 HydrophobicContact CD1-CD1 3.8Å; L382-F389 HydrophobicContact CD1-CE1 3.93Å; L382-F389 HydrophobicContact CD2-CD1 4.23Å; L382-F389 HydrophobicContact CG-CD1 4.37Å; F384-F389 HydrophobicContact CD1-CE1 4.5Å; F384-F389 HydrophobicContact CE1-CD1 4.4Å; F384-F389 AromaticContact CE1-CE1 3.66Å; F384-F389 HydrophobicContact CE1-CE1 3.66Å; F384-F389 AromaticContact CE1-CZ 3.87Å; F384-F389 HydrophobicContact CE1-CZ 3.87Å; F384-F389 HydrophobicContact CE2-CD1 4.14Å; F384-F389 AromaticContact CE2-CE1 3.71Å; F384-F389 HydrophobicContact CE2-CE1 3.71Å; F384-F389 HydrophobicContact CZ-CD1 4.04Å; F384-F389 AromaticContact CZ-CE1 3.22Å; F384-F389 HydrophobicContact CZ-CE1 3.22Å; F384-F389 AromaticContact CZ-CZ 3.81Å; F384-F389 HydrophobicContact CZ-CZ 3.81Å; F389-V775 HydrophobicContact CE1-CG2 4.48Å; F389-V775 HydrophobicContact CE2-CB 4.16Å; F389-V775 HydrophobicContact CE2-CG2 3.87Å; F389-V775 HydrophobicContact CZ-CB 4.05Å; F389-V775 HydrophobicContact CZ-CG2 3.49Å; F389-V775 VanDerWaalsContact CZ-CG2 3.49Å
390	N	51.8	Low	55.3	Low	78 Å²	78	82 Å²	82	42%	0.417	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.6	176.4	-72	-6.4	0	0	0	110.3	H383 F388	H383-N390 PolarHBondContact N-O 2.7Å; H383-N390 VanDerWaalsContact N-O 3.14Å; H383-N390 PolarHBondContact O-N 2.56Å; F388-N390 PolarHBondContact O-N 3.48Å
391	L	51.1	Low	55.3	Low	39 Å²	39	85.3 Å²	85.3	20%	0.204	43%	0.425	C	S	.	.			trans	-77.6	146.2	168.8	-162.1	77.4	0	0	0	109.7	D333 Q380 H393	D333-L391 HydrophobicContact CB-CD2 4.12Å; Q380-L391 HydrophobicContact CG-CD1 3.79Å; Q380-L391 VanDerWaalsContact NE2-CD1 3.27Å; L391-H393 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.03Å
392	I	49.4	Very low	55.5	Low	51 Å²	51	86.5 Å²	86.5	26%	0.262	43%	0.431	S	S	.	.			trans	-76	87.8	167	-43.6	176.1	0	0	0	108.9	Q381 H383 N394	Q381-I392 HydrophobicContact CG-CD1 4.09Å; H383-I392 VanDerWaalsContact CD2-CG1 3.4Å; H383-I392 WeakPolarHBondContact CD2-CG1 3.41Å; H383-I392 WeakPolarHBondContact NE2-CD1 3.22Å; I392-N394 HydrophobicContact CG2-CB 4.03Å; I392-N394 VanDerWaalsContact CG2-CG 3.47Å; I392-N394 WeakPolarHBondContact CG2-ND2 3.5Å; I392-N394 PolarHBondContact O-N 3.42Å
393	H	48.5	Very low	56.3	Low	131 Å²	131	88.6 Å²	88.6	61%	0.606	44%	0.441	S	S	*	.			trans	-76.6	61.3	163.5	-79.7	-58	0	0	0	110.5	D333 L391	D333-H393 IonicContact OD2-CD2 3.91Å; D333-H393 IonicContact OD2-CE1 3.6Å; D333-H393 IonicContact OD2-NE2 2.8Å; D333-H393 PolarHBondContact OD2-NE2 3.19Å; L391-H393 VanDerWaalsContact C-N 3.34Å; L391-H393 PolarHBondContact O-N 3.03Å
394	N	40.5	Very low	57.4	Low	116 Å²	116	88 Å²	88	62%	0.62	45%	0.446	S	S	*	.			trans	-71.2	147.8	156.6	-79.2	-11	0	0	0	107.6	I392 H396	I392-N394 HydrophobicContact CG2-CB 4.03Å; I392-N394 VanDerWaalsContact CG2-CG 3.47Å; I392-N394 WeakPolarHBondContact CG2-ND2 3.5Å; I392-N394 PolarHBondContact O-N 3.42Å; N394-H396 PolarHBondContact O-N 3.04Å
395	N	42.7	Very low	58.8	Low	167 Å²	167	86.8 Å²	86.8	89%	0.893	45%	0.445	S	S	*	.	S	Bend	trans	-71.9	24.5	-172.3	-72.3	-31.9	0	0	0	115.4
396	H	41.6	Very low	60.2	Low	138 Å²	138	86 Å²	86	64%	0.639	44%	0.438	S	S	*	.	S	Bend	trans	-123.9	146.4	173.6	-54.1	-74.7	0	0	0	109.4	N394 Y398	N394-H396 PolarHBondContact O-N 3.04Å; H396-Y398 HydrophobicContact CB-CD2 3.46Å; H396-Y398 VanDerWaalsContact CB-CD2 3.46Å; H396-Y398 HydrophobicContact CB-CE2 3.63Å; H396-Y398 PolarHBondContact O-N 3.08Å
397	K	46.1	Very low	61.7	Low	207 Å²	207	79.6 Å²	79.6	90%	0.9	40%	0.404	S	S	*	.	S	Bend	trans	-69.2	17.8	-167.7	-65.2	178.9	175.3	176.4	0	116.1
398	Y	52	Low	63.2	Low	157 Å²	157	81.9 Å²	81.9	62%	0.616	41%	0.408	S	S	*	.			trans	-97.9	17.9	-162.3	-54	-58.8	0	0	0	115.6	H396 L400	H396-Y398 HydrophobicContact CB-CD2 3.46Å; H396-Y398 VanDerWaalsContact CB-CD2 3.46Å; H396-Y398 HydrophobicContact CB-CE2 3.63Å; H396-Y398 PolarHBondContact O-N 3.08Å; Y398-L400 VanDerWaalsContact C-N 3.35Å
399	G	60.3	Low	64.6	Low	21 Å²	21	77.2 Å²	77.2	22%	0.216	39%	0.389	C	S	.	.	S	Bend	trans	-81.1	-7.1	-179.6	0	0	0	0	0	115.7
400	L	69.1	Low	65.5	Low	60 Å²	60	83.8 Å²	83.8	31%	0.314	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	110.2	-176.2	176.2	58.7	0	0	0	110.4	C335 W378 Q380 Y398	C335-L400 WeakPolarHBondContact SG-CD1 3.21Å; W378-L400 HydrophobicContact CB-CD1 4.23Å; W378-L400 HydrophobicContact CE3-CD1 3.92Å; W378-L400 HydrophobicContact CE3-CD2 3.89Å; W378-L400 HydrophobicContact CE3-CG 3.96Å; W378-L400 HydrophobicContact CZ3-CD2 3.97Å; W378-L400 HydrophobicContact CZ3-CG 4.35Å; Q380-L400 HydrophobicContact CB-CD1 4.06Å; Y398-L400 VanDerWaalsContact C-N 3.35Å
401	N	75.3	Confident	66.1	Low	69 Å²	69	87.9 Å²	87.9	37%	0.369	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	136.1	173.7	-67.1	-1.6	0	0	0	109.4	W378 K379	W378-N401 WeakPolarHBondContact CA-O 3.44Å; K379-N401 HydrophobicContact CB-CB 4.3Å; K379-N401 PolarHBondContact N-O 3.2Å; K379-N401 PolarHBondContact O-N 3Å
402	Q	79.8	Confident	66.8	Low	80 Å²	80	88 Å²	88	37%	0.374	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.3	174	-175.9	-176.1	-9.6	0	0	108.1	L377 W378	L377-Q402 WeakPolarHBondContact O-CA 3.5Å; W378-Q402 HydrophobicContact CD2-CB 4.42Å; W378-Q402 HydrophobicContact CD2-CG 4.14Å; W378-Q402 HydrophobicContact CE3-CB 3.78Å; W378-Q402 HydrophobicContact CE3-CG 3.91Å; W378-Q402 HydrophobicContact CH2-CB 4.46Å; W378-Q402 VanDerWaalsContact CH2-CD 3.44Å; W378-Q402 HydrophobicContact CH2-CG 4.06Å; W378-Q402 HydrophobicContact CZ2-CG 4.22Å; W378-Q402 HydrophobicContact CZ3-CB 3.82Å; W378-Q402 HydrophobicContact CZ3-CG 3.88Å
403	I	84.4	Confident	67.8	Low	46 Å²	46	87.7 Å²	87.7	24%	0.236	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132	176.1	-59	178.5	0	0	0	106.9	L377 P506 F507	L377-I403 HydrophobicContact CB-CB 4.4Å; L377-I403 PolarHBondContact N-O 3.23Å; L377-I403 PolarHBondContact O-N 3.14Å; I403-P506 HydrophobicContact CG2-CB 3.36Å; I403-P506 HydrophobicContact CG2-CG 3.88Å; I403-F507 HydrophobicContact CB-CZ 4.3Å; I403-F507 HydrophobicContact CG2-CE1 4.26Å; I403-F507 HydrophobicContact CG2-CE2 4.31Å; I403-F507 HydrophobicContact CG2-CZ 3.77Å
404	S	85.5	Confident	69.3	Low	65 Å²	65	83.6 Å²	83.6	46%	0.455	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.6	-176.9	54.3	0	0	0	0	112.1	L375	L375-S404 VanDerWaalsContact O-CA 3.26Å; L375-S404 WeakPolarHBondContact O-CA 3.44Å
405	S	88.3	Confident	71.5	Confident	33 Å²	33	78 Å²	78	23%	0.231	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	156.2	172.6	-169.9	0	0	0	0	110.9	L375	L375-S405 PolarHBondContact N-O 3.41Å; L375-S405 PolarHBondContact O-N 3.46Å; L375-S405 VanDerWaalsContact O-N 3.16Å
406	Q	87.1	Confident	73.8	Confident	72 Å²	72	75 Å²	75	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	142.6	167.6	-66.6	-179.5	4.7	0	0	109.6	E374 I408	E374-Q406 HydrophobicContact CG-CG 3.42Å; E374-Q406 VanDerWaalsContact CG-CG 3.42Å; E374-Q406 PolarHBondContact OE1-NE2 2.51Å; Q406-I408 HydrophobicContact CB-CG1 4.45Å
407	I	85.1	Confident	76.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.353	C	S	.	.			trans	-99.4	108.1	173.6	-53.5	-58.8	0	0	0	107.9	L375 I415 I417 L429 V461 F507 I509	L375-I407 HydrophobicContact CB-CD1 4.21Å; L375-I407 HydrophobicContact CB-CG1 4.01Å; L375-I407 HydrophobicContact CD2-CD1 4.11Å; L375-I407 HydrophobicContact CD2-CG1 4.35Å; I407-I415 HydrophobicContact CG2-CD1 4.3Å; I407-I415 PolarHBondContact O-N 2.64Å; I407-I417 HydrophobicContact CG1-CD1 4.2Å; I407-L429 HydrophobicContact CG1-CD2 3.95Å; I407-L429 HydrophobicContact CG2-CD2 4.23Å; I407-V461 HydrophobicContact CG2-CG1 4.33Å; I407-F507 HydrophobicContact CD1-CB 3.79Å; I407-F507 HydrophobicContact CD1-CD2 4.17Å; I407-F507 HydrophobicContact CD1-CG 4.39Å; I407-I509 HydrophobicContact CG2-CD1 4.05Å; I407-I509 HydrophobicContact CG2-CG1 4.45Å
408	I	82.9	Confident	78.4	Confident	77 Å²	77	60.4 Å²	60.4	40%	0.395	32%	0.319	S	S	.	.			trans	-112.1	123.4	179.6	-64	170.4	0	0	0	107.8	Q406 P414 I509	Q406-I408 HydrophobicContact CB-CG1 4.45Å; I408-P414 HydrophobicContact CG1-CG 4.47Å; I408-I509 VanDerWaalsContact O-CD1 3.31Å; I408-I509 WeakPolarHBondContact O-CD1 3.36Å
409	V	82.2	Confident	80.3	Confident	6 Å²	6	53.1 Å²	53.1	4%	0.036	29%	0.291	C	S	.	.	S	Bend	trans	-104.4	133.4	172.4	166.8	0	0	0	0	108.5	N411 S412 I415 I459 V461 I509 T512	V409-N411 PolarHBondContact O-N 3.28Å; V409-S412 WeakPolarHBondContact O-CB 3.43Å; V409-S412 PolarHBondContact O-N 3.4Å; V409-S412 PolarHBondContact O-OG 2.83Å; V409-I415 HydrophobicContact CB-CD1 4.04Å; V409-I415 HydrophobicContact CG2-CD1 3.53Å; V409-I459 HydrophobicContact CG1-CD1 4.06Å; V409-I459 HydrophobicContact CG2-CD1 4.32Å; V409-V461 HydrophobicContact CG2-CG1 4.31Å; V409-V461 HydrophobicContact CG2-CG2 3.92Å; V409-I509 HydrophobicContact CG2-CD1 3.81Å; V409-T512 HydrophobicContact CG1-CG2 4.06Å; V409-T512 HydrophobicContact CG2-CG2 3.79Å
410	D	71.8	Confident	81.9	Confident	147 Å²	147	52.1 Å²	52.1	79%	0.786	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	35.8	170.4	-54.6	-26.3	0	0	0	115.5	S412	D410-S412 PolarHBondContact O-N 3.18Å; D410-S412 VanDerWaalsContact O-N 3.15Å
411	N	64.3	Low	83	Confident	163 Å²	163	49.5 Å²	49.5	87%	0.872	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	20.5	-174.6	-57	-30.7	0	0	0	115	V409	V409-N411 PolarHBondContact O-N 3.28Å
412	S	65.4	Low	83.6	Confident	43 Å²	43	46.7 Å²	46.7	30%	0.301	25%	0.251	S	S	.	.			trans	-75.2	-176.8	170.4	69.9	0	0	0	0	111.8	V409 D410	V409-S412 WeakPolarHBondContact O-CB 3.43Å; V409-S412 PolarHBondContact O-N 3.4Å; V409-S412 PolarHBondContact O-OG 2.83Å; D410-S412 PolarHBondContact O-N 3.18Å; D410-S412 VanDerWaalsContact O-N 3.15Å
413	N	71.7	Confident	83.9	Confident	43 Å²	43	44.9 Å²	44.9	23%	0.23	24%	0.243	C	C	.	.	S	Bend	trans	-59.9	153.3	174.2	-85.5	-24.3	0	0	0	112.1	I415 T434 N436	N413-I415 PolarHBondContact O-N 3.44Å; N413-T434 PolarHBondContact ND2-O 2.93Å; N413-N436 PolarHBondContact ND2-N 3Å; N413-N436 PolarHBondContact ND2-OD1 2.79Å; N413-N436 VanDerWaalsContact OD1-CG 3.32Å; N413-N436 PolarHBondContact OD1-ND2 2.86Å; N413-N436 PolarHBondContact OD1-OD1 2.93Å
414	P	78.4	Confident	83.8	Confident	45 Å²	45	44.3 Å²	44.3	29%	0.292	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-49.8	128.5	168	-27	35.8	0	0	0	111	D373 I408 K416	D373-P414 HydrophobicContact CB-CB 3.98Å; I408-P414 HydrophobicContact CG1-CG 4.47Å; P414-K416 PolarHBondContact O-N 2.9Å
415	I	88.3	Confident	83.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-68.8	128.6	-177.8	-68.4	172	0	0	0	109.1	I407 V409 N413 I417 L429 I433 I459 V461	I407-I415 HydrophobicContact CG2-CD1 4.3Å; I407-I415 PolarHBondContact O-N 2.64Å; V409-I415 HydrophobicContact CB-CD1 4.04Å; V409-I415 HydrophobicContact CG2-CD1 3.53Å; N413-I415 PolarHBondContact O-N 3.44Å; I415-I417 PolarHBondContact O-N 3.19Å; I415-L429 HydrophobicContact CG2-CD1 4.47Å; I415-I433 HydrophobicContact CG1-CD1 4.37Å; I415-I433 HydrophobicContact CG1-CG1 3.87Å; I415-I459 HydrophobicContact CD1-CG2 3.85Å; I415-I459 HydrophobicContact CG1-CG2 4.4Å; I415-I459 HydrophobicContact CG2-CG2 4.27Å; I415-V461 HydrophobicContact CD1-CG2 3.68Å
416	K	90.7	Very high	83.6	Confident	104 Å²	104	44.7 Å²	44.7	45%	0.452	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	94.5	168.8	-173.6	-178.5	-179.1	-178.4	0	109	C372 P414 L418 G431 I432	C372-K416 HydrophobicContact CB-CG 4.27Å; C372-K416 CarbonylContact O-C 3.56Å; C372-K416 WeakPolarHBondContact O-CA 3.45Å; P414-K416 PolarHBondContact O-N 2.9Å; K416-L418 HydrophobicContact CG-CD2 4.49Å; K416-G431 CarbonylContact O-C 3.59Å; K416-G431 WeakPolarHBondContact O-CA 3.32Å; K416-I432 PolarHBondContact N-O 3.27Å; K416-I432 PolarHBondContact O-N 3.48Å
417	I	92.4	Very high	83.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.5	-178.6	-53.6	176.2	0	0	0	109.3	T368 C372 L375 I407 I415 L420 L429 T430	T368-I417 HydrophobicContact CG2-CB 3.72Å; T368-I417 HydrophobicContact CG2-CD1 4.16Å; T368-I417 HydrophobicContact CG2-CG2 3.64Å; C372-I417 WeakPolarHBondContact CB-O 3.39Å; C372-I417 PolarHBondContact O-N 3.3Å; L375-I417 HydrophobicContact CB-CD1 3.89Å; L375-I417 HydrophobicContact CD1-CD1 4.43Å; I407-I417 HydrophobicContact CG1-CD1 4.2Å; I415-I417 PolarHBondContact O-N 3.19Å; I417-L420 HydrophobicContact CG2-CD1 4.09Å; I417-L420 HydrophobicContact CG2-CD2 4.38Å; I417-L420 HydrophobicContact CG2-CG 3.98Å; I417-L429 HydrophobicContact CG1-CD1 4.36Å; I417-L429 HydrophobicContact CG2-CB 4.39Å; I417-T430 WeakPolarHBondContact CA-O 3.27Å
418	L	91.7	Very high	84.3	Confident	35 Å²	35	42.2 Å²	42.2	18%	0.183	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-34.5	179.7	-64.6	-174.1	0	0	0	112.8	K416 T430 I432 P529 I531 F532	K416-L418 HydrophobicContact CG-CD2 4.49Å; L418-T430 PolarHBondContact N-O 3.11Å; L418-I432 HydrophobicContact CD1-CD1 4.13Å; L418-I432 HydrophobicContact CD1-CG1 3.63Å; L418-I432 HydrophobicContact CG-CG1 4.31Å; L418-P529 HydrophobicContact CD1-CB 3.62Å; L418-P529 HydrophobicContact CD1-CG 4.36Å; L418-I531 VanDerWaalsContact CD1-O 3.32Å; L418-I531 WeakPolarHBondContact CD1-O 3.42Å; L418-F532 HydrophobicContact CB-CD2 3.99Å; L418-F532 HydrophobicContact CB-CE2 4.04Å; L418-F532 HydrophobicContact CD1-CD2 4.19Å
419	Y	92.6	Very high	84.9	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	156	179.8	-163.6	-103.4	0	0	0	111.9	I346 R421 L429 T430 F532 I534 F579 H624	I346-Y419 HydrophobicContact CG2-CD2 3.99Å; I346-Y419 HydrophobicContact CG2-CE2 4.31Å; I346-Y419 HydrophobicContact CG2-CG 4.44Å; Y419-R421 HydrophobicContact CD1-CG 4.39Å; Y419-R421 HydrophobicContact CE1-CG 3.81Å; Y419-R421 VanDerWaalsContact OH-CZ 3.22Å; Y419-R421 PolarHBondContact OH-NE 3.05Å; Y419-R421 PolarHBondContact OH-NH1 2.66Å; Y419-L429 VanDerWaalsContact O-CA 3.31Å; Y419-L429 WeakPolarHBondContact O-CA 3.38Å; Y419-T430 WeakPolarHBondContact CB-OG1 3.32Å; Y419-T430 PolarHBondContact N-O 2.86Å; Y419-T430 PolarHBondContact N-OG1 3.12Å; Y419-T430 PolarHBondContact O-N 3.46Å; Y419-F532 WeakPolarHBondContact CB-O 3.11Å; Y419-F532 HydrophobicContact CD2-CE1 4.27Å; Y419-I534 HydrophobicContact CD1-CG1 4.12Å; Y419-I534 HydrophobicContact CE1-CG1 4.31Å; Y419-I534 WeakPolarHBondContact CE1-O 3.49Å; Y419-F579 HydrophobicContact CD2-CD1 4.29Å; Y419-F579 HydrophobicContact CD2-CE1 4.19Å; Y419-F579 AromaticContact CE2-CD1 3.63Å; Y419-F579 HydrophobicContact CE2-CD1 3.63Å; Y419-F579 AromaticContact CE2-CE1 3.77Å; Y419-F579 HydrophobicContact CE2-CE1 3.77Å; Y419-H624 AromaticContact CZ-NE2 3.9Å; Y419-H624 PolarHBondContact OH-NE2 3.33Å
420	L	92.6	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.3	-172	-77.1	155.7	0	0	0	110.5	I346 L366 T368 L375 I417 I427 Y428 L429	I346-L420 HydrophobicContact CB-CB 4.3Å; I346-L420 HydrophobicContact CB-CD1 4.33Å; I346-L420 HydrophobicContact CD1-CD1 3.89Å; I346-L420 HydrophobicContact CG2-CB 3.74Å; I346-L420 HydrophobicContact CG2-CD1 4.48Å; I346-L420 HydrophobicContact CG2-CG 4.5Å; L366-L420 HydrophobicContact CB-CD1 4.24Å; L366-L420 HydrophobicContact CD1-CB 4.29Å; L366-L420 HydrophobicContact CD1-CD2 4.45Å; T368-L420 HydrophobicContact CG2-CD1 3.94Å; L375-L420 HydrophobicContact CD1-CD1 3.6Å; L375-L420 HydrophobicContact CD1-CD2 3.53Å; L375-L420 HydrophobicContact CD1-CG 4.23Å; I417-L420 HydrophobicContact CG2-CD1 4.09Å; I417-L420 HydrophobicContact CG2-CD2 4.38Å; I417-L420 HydrophobicContact CG2-CG 3.98Å; L420-I427 HydrophobicContact CD2-CG2 3.71Å; L420-Y428 CarbonylContact C-O 3.57Å; L420-Y428 WeakPolarHBondContact CA-O 3.3Å; L420-L429 HydrophobicContact CD2-CB 3.43Å; L420-L429 VanDerWaalsContact CD2-CB 3.43Å; L420-L429 HydrophobicContact CD2-CD2 4.44Å; L420-L429 HydrophobicContact CG-CB 4.26Å
421	R	91.5	Very high	86.5	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.9	170	-73.8	-55.4	-150.9	-173.5	21.8	112.7	D347 Y419 Y428 I534 D535 I536 Q676	D347-R421 IonicContact OD1-NH1 2.72Å; D347-R421 WeakPolarHBondContact OD2-CA 3.37Å; Y419-R421 HydrophobicContact CD1-CG 4.39Å; Y419-R421 HydrophobicContact CE1-CG 3.81Å; Y419-R421 VanDerWaalsContact OH-CZ 3.22Å; Y419-R421 PolarHBondContact OH-NE 3.05Å; Y419-R421 PolarHBondContact OH-NH1 2.66Å; R421-Y428 PolarHBondContact N-O 2.85Å; R421-Y428 PolarHBondContact O-N 3Å; R421-I534 HydrophobicContact CB-CD1 4.18Å; R421-I534 HydrophobicContact CB-CG1 4.13Å; R421-I534 HydrophobicContact CG-CD1 4.18Å; R421-I534 HydrophobicContact CG-CG1 3.59Å; R421-I534 WeakPolarHBondContact CG-O 3.16Å; R421-I534 PolarHBondContact NE-O 3.15Å; R421-D535 IonicContact CZ-OD1 3.15Å; R421-D535 IonicContact NE-OD1 2.86Å; R421-D535 IonicContact NH2-OD1 3.71Å; R421-D535 PolarHBondContact NH2-OD1 2.89Å; R421-I536 HydrophobicContact CB-CD1 4.12Å; R421-Q676 VanDerWaalsContact CZ-OE1 3.24Å
422	F	88.4	Confident	87.8	Confident	10 Å²	10	23.9 Å²	23.9	4%	0.044	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.8	161.6	-74.9	-73.7	0	0	0	112.3	D347 K349 F364 L366 L377 I427 I465	D347-F422 PolarHBondContact OD2-N 3.14Å; K349-F422 HydrophobicContact CB-CB 4.22Å; K349-F422 HydrophobicContact CB-CD1 4.36Å; K349-F422 HydrophobicContact CB-CD2 3.47Å; K349-F422 VanDerWaalsContact CB-CD2 3.47Å; K349-F422 HydrophobicContact CB-CE2 3.77Å; K349-F422 HydrophobicContact CB-CG 3.78Å; K349-F422 HydrophobicContact CB-CZ 4.34Å; K349-F422 HydrophobicContact CD-CB 3.79Å; K349-F422 HydrophobicContact CD-CD1 4.25Å; K349-F422 HydrophobicContact CD-CG 3.97Å; F364-F422 HydrophobicContact CB-CE1 4.34Å; F364-F422 HydrophobicContact CB-CE2 4.17Å; F364-F422 HydrophobicContact CB-CZ 3.62Å; L366-F422 HydrophobicContact CB-CE2 4.39Å; L366-F422 HydrophobicContact CD1-CD1 4.22Å; L366-F422 HydrophobicContact CD1-CD2 3.71Å; L366-F422 HydrophobicContact CD1-CE1 3.94Å; L366-F422 HydrophobicContact CD1-CE2 3.41Å; L366-F422 VanDerWaalsContact CD1-CE2 3.41Å; L366-F422 HydrophobicContact CD1-CG 4.11Å; L366-F422 HydrophobicContact CD1-CZ 3.53Å; L366-F422 HydrophobicContact CD2-CZ 4.01Å; L366-F422 HydrophobicContact CG-CD2 4.26Å; L366-F422 HydrophobicContact CG-CE1 4.23Å; L366-F422 HydrophobicContact CG-CE2 3.46Å; L366-F422 VanDerWaalsContact CG-CE2 3.46Å; L366-F422 HydrophobicContact CG-CZ 3.44Å; L366-F422 VanDerWaalsContact CG-CZ 3.44Å; L377-F422 HydrophobicContact CD1-CE1 4.4Å; L377-F422 HydrophobicContact CD1-CZ 3.84Å; F422-I427 HydrophobicContact CD1-CG1 4.03Å; F422-I427 HydrophobicContact CE1-CD1 4.35Å; F422-I427 HydrophobicContact CE1-CG1 3.89Å; F422-I465 HydrophobicContact CE1-CD1 4.29Å
423	H	87.3	Confident	88.9	Confident	43 Å²	43	22.6 Å²	22.6	20%	0.199	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	118.3	163.9	-175.1	-91.6	0	0	0	110.2	S425 V426 Y428 I536 H538	H423-S425 PolarHBondContact O-N 2.94Å; H423-V426 HydrophobicContact CB-CG2 4.44Å; H423-V426 PolarHBondContact N-O 2.92Å; H423-V426 WeakPolarHBondContact O-CG2 3.46Å; H423-V426 PolarHBondContact O-N 2.91Å; H423-Y428 HydrophobicContact CB-CD2 4.14Å; H423-Y428 HydrophobicContact CB-CE2 3.99Å; H423-I536 HydrophobicContact CB-CD1 3.73Å; H423-I536 HydrophobicContact CB-CG2 4.45Å; H423-I536 VanDerWaalsContact CD2-CG2 3.42Å; H423-I536 WeakPolarHBondContact CD2-CG2 3.34Å; H423-H538 AromaticContact CD2-CE1 3.74Å; H423-H538 AromaticContact CD2-ND1 3.34Å; H423-H538 PolarHBondContact CD2-ND1 3.42Å; H423-H538 VanDerWaalsContact CD2-ND1 3.34Å; H423-H538 AromaticContact NE2-ND1 3.53Å
424	G	82.1	Confident	89.5	Confident	33 Å²	33	23.6 Å²	23.6	34%	0.34	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-128.9	-168.6	0	0	0	0	0	111.3	K349	K349-G424 PolarHBondContact NZ-O 3.04Å
425	S	80.7	Confident	89.1	Confident	83 Å²	83	23.7 Å²	23.7	58%	0.58	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	3.6	174.3	52	0	0	0	0	114.7	H423	H423-S425 PolarHBondContact O-N 2.94Å
426	V	89.2	Confident	87.9	Confident	24 Å²	24	28.9 Å²	28.9	15%	0.145	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	154.1	-177.7	-54.7	0	0	0	0	112.8	H423 Y428 C463 T464 I510	H423-V426 HydrophobicContact CB-CG2 4.44Å; H423-V426 PolarHBondContact N-O 2.92Å; H423-V426 WeakPolarHBondContact O-CG2 3.46Å; H423-V426 PolarHBondContact O-N 2.91Å; V426-Y428 HydrophobicContact CG2-CD2 4.08Å; V426-Y428 HydrophobicContact CG2-CE2 3.5Å; V426-C463 WeakPolarHBondContact CA-O 3.38Å; V426-C463 WeakPolarHBondContact CB-O 3.46Å; V426-T464 HydrophobicContact CG1-CG2 4.41Å; V426-I510 HydrophobicContact CB-CD1 4.21Å; V426-I510 HydrophobicContact CG1-CD1 3.48Å; V426-I510 VanDerWaalsContact CG1-CD1 3.48Å
427	I	92.3	Very high	86	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.1	175.1	-58.1	164.2	0	0	0	107.4	L366 L375 L420 F422 C462 C463 I465 F507	L366-I427 HydrophobicContact CD1-CG1 4.2Å; L366-I427 HydrophobicContact CD1-CG2 3.8Å; L366-I427 HydrophobicContact CD2-CD1 3.86Å; L366-I427 HydrophobicContact CD2-CG1 4.44Å; L375-I427 HydrophobicContact CD2-CD1 4.47Å; L420-I427 HydrophobicContact CD2-CG2 3.71Å; F422-I427 HydrophobicContact CD1-CG1 4.03Å; F422-I427 HydrophobicContact CE1-CD1 4.35Å; F422-I427 HydrophobicContact CE1-CG1 3.89Å; I427-C462 WeakPolarHBondContact O-CA 3.45Å; I427-C463 PolarHBondContact N-O 3.12Å; I427-C463 PolarHBondContact O-N 2.83Å; I427-I465 HydrophobicContact CD1-CD1 4.25Å; I427-I465 HydrophobicContact CD1-CG1 3.72Å; I427-I465 HydrophobicContact CG1-CG1 4.46Å; I427-F507 HydrophobicContact CD1-CD1 4.3Å; I427-F507 HydrophobicContact CD1-CE1 4.38Å
428	Y	94.4	Very high	83.6	Confident	20 Å²	20	32.5 Å²	32.5	8%	0.078	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.5	165.9	-70.1	-84.2	0	0	0	109.4	L420 R421 H423 V426 L460 V461 C462 I536 I543 L561	L420-Y428 CarbonylContact C-O 3.57Å; L420-Y428 WeakPolarHBondContact CA-O 3.3Å; R421-Y428 PolarHBondContact N-O 2.85Å; R421-Y428 PolarHBondContact O-N 3Å; H423-Y428 HydrophobicContact CB-CD2 4.14Å; H423-Y428 HydrophobicContact CB-CE2 3.99Å; V426-Y428 HydrophobicContact CG2-CD2 4.08Å; V426-Y428 HydrophobicContact CG2-CE2 3.5Å; Y428-L460 HydrophobicContact CD1-CD2 4.25Å; Y428-V461 WeakPolarHBondContact CA-O 3.31Å; Y428-C462 HydrophobicContact CD1-CB 3.7Å; Y428-C462 HydrophobicContact CE1-CB 3.51Å; Y428-C462 WeakPolarHBondContact CE1-SG 3.2Å; Y428-C462 VanDerWaalsContact CZ-SG 3.56Å; Y428-I536 HydrophobicContact CD2-CD1 3.39Å; Y428-I536 HydrophobicContact CE2-CD1 3.92Å; Y428-I536 HydrophobicContact CG-CD1 4.04Å; Y428-I543 HydrophobicContact CD1-CD1 3.57Å; Y428-I543 HydrophobicContact CE1-CD1 3.25Å; Y428-I543 HydrophobicContact CE2-CD1 4.38Å; Y428-I543 HydrophobicContact CG-CD1 4.25Å; Y428-L561 HydrophobicContact CE1-CD1 4.19Å
429	L	94.8	Very high	81	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.9	177.5	70.3	89.6	0	0	0	110.7	L375 I407 I415 I417 Y419 L420 L460 V461	L375-L429 HydrophobicContact CD2-CD2 4.34Å; I407-L429 HydrophobicContact CG1-CD2 3.95Å; I407-L429 HydrophobicContact CG2-CD2 4.23Å; I415-L429 HydrophobicContact CG2-CD1 4.47Å; I417-L429 HydrophobicContact CG1-CD1 4.36Å; I417-L429 HydrophobicContact CG2-CB 4.39Å; Y419-L429 VanDerWaalsContact O-CA 3.31Å; Y419-L429 WeakPolarHBondContact O-CA 3.38Å; L420-L429 HydrophobicContact CD2-CB 3.43Å; L420-L429 VanDerWaalsContact CD2-CB 3.43Å; L420-L429 HydrophobicContact CD2-CD2 4.44Å; L420-L429 HydrophobicContact CG-CB 4.26Å; L429-L460 CarbonylContact O-C 3.59Å; L429-L460 WeakPolarHBondContact O-CA 3.2Å; L429-V461 HydrophobicContact CD1-CB 3.86Å; L429-V461 HydrophobicContact CD1-CG2 3.97Å; L429-V461 HydrophobicContact CD2-CB 4.44Å; L429-V461 HydrophobicContact CG-CB 3.91Å; L429-V461 PolarHBondContact N-O 3.12Å; L429-V461 PolarHBondContact O-N 2.97Å
430	T	95.2	Very high	78.1	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	149.4	167.6	59.8	0	0	0	0	109.6	I417 L418 Y419 I459 L460 I531 F532 I534	I417-T430 WeakPolarHBondContact CA-O 3.27Å; L418-T430 PolarHBondContact N-O 3.11Å; Y419-T430 WeakPolarHBondContact CB-OG1 3.32Å; Y419-T430 PolarHBondContact N-O 2.86Å; Y419-T430 PolarHBondContact N-OG1 3.12Å; Y419-T430 PolarHBondContact O-N 3.46Å; T430-I459 WeakPolarHBondContact CA-O 3.25Å; T430-L460 HydrophobicContact CG2-CD1 3.69Å; T430-I531 HydrophobicContact CG2-CD1 3.53Å; T430-I531 HydrophobicContact CG2-CG1 3.75Å; T430-F532 WeakPolarHBondContact CB-O 3.11Å; T430-F532 WeakPolarHBondContact CG2-O 3.15Å; T430-F532 PolarHBondContact OG1-O 3.26Å; T430-I534 HydrophobicContact CG2-CG2 3.41Å; T430-I534 VanDerWaalsContact CG2-CG2 3.41Å
431	G	92.1	Very high	75.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	178.8	174.1	0	0	0	0	0	113.5	K416 G458 I459 I531	K416-G431 CarbonylContact O-C 3.59Å; K416-G431 WeakPolarHBondContact O-CA 3.32Å; G431-G458 WeakPolarHBondContact O-CA 3.04Å; G431-I459 PolarHBondContact N-O 3.16Å; G431-I459 PolarHBondContact O-N 3.4Å; G431-I531 WeakPolarHBondContact O-CG2 3.32Å
432	I	91.7	Very high	72.6	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.5	178.2	-56.4	-63.3	0	0	0	109.4	K416 L418 E456 F457 I530 I531	K416-I432 PolarHBondContact N-O 3.27Å; K416-I432 PolarHBondContact O-N 3.48Å; L418-I432 HydrophobicContact CD1-CD1 4.13Å; L418-I432 HydrophobicContact CD1-CG1 3.63Å; L418-I432 HydrophobicContact CG-CG1 4.31Å; I432-E456 HydrophobicContact CG2-CB 3.82Å; I432-E456 HydrophobicContact CG2-CG 4.1Å; I432-F457 CarbonylContact C-O 3.13Å; I432-F457 WeakPolarHBondContact CA-O 3.27Å; I432-I530 HydrophobicContact CD1-CB 4.05Å; I432-I530 HydrophobicContact CD1-CG1 4.27Å; I432-I531 HydrophobicContact CD1-CG2 4.14Å
433	I	89.3	Confident	70.3	Confident	16 Å²	16	60.4 Å²	60.4	8%	0.082	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119	165.1	-62	168.9	0	0	0	107.1	I415 F457 I459 L515	I415-I433 HydrophobicContact CG1-CD1 4.37Å; I415-I433 HydrophobicContact CG1-CG1 3.87Å; I433-F457 PolarHBondContact N-O 3.05Å; I433-F457 PolarHBondContact O-N 3Å; I433-I459 HydrophobicContact CD1-CB 4.48Å; I433-I459 HydrophobicContact CD1-CD1 4.14Å; I433-I459 HydrophobicContact CD1-CG2 4.09Å; I433-I459 HydrophobicContact CG1-CG2 4.22Å; I433-L515 HydrophobicContact CD1-CD2 4.2Å
434	T	83.7	Confident	67.9	Low	64 Å²	64	64.6 Å²	64.6	39%	0.393	41%	0.405	S	S	.	.			trans	-104.3	120.8	168.6	-47.5	0	0	0	0	107.6	N413 E456	N413-T434 PolarHBondContact ND2-O 2.93Å; T434-E456 HydrophobicContact CG2-CG 4.38Å
435	P	70.7	Confident	65.7	Low	48 Å²	48	71.6 Å²	71.6	31%	0.312	43%	0.429	S	S	.	.			trans	-70.6	149.1	-179.2	27.6	-33.8	0	0	0	112.6	S455	P435-S455 VanDerWaalsContact CD-O 3.31Å; P435-S455 WeakPolarHBondContact CD-O 3.39Å
436	N	61.8	Low	63.5	Low	109 Å²	109	76.6 Å²	76.6	58%	0.583	44%	0.444	S	S	*	.			trans	-76.2	120.7	173.9	-83.6	-19.6	0	0	0	111.1	N413 S438	N413-N436 PolarHBondContact ND2-N 3Å; N413-N436 PolarHBondContact ND2-OD1 2.79Å; N413-N436 VanDerWaalsContact OD1-CG 3.32Å; N413-N436 PolarHBondContact OD1-ND2 2.86Å; N413-N436 PolarHBondContact OD1-OD1 2.93Å; N436-S438 VanDerWaalsContact C-N 3.31Å; N436-S438 PolarHBondContact O-N 3.21Å
437	T	51.1	Low	61	Low	91 Å²	91	83.3 Å²	83.3	56%	0.558	47%	0.473	S	S	*	.			trans	-93.8	23.7	174.9	66.5	0	0	0	0	112.8	K454	T437-K454 HydrophobicContact CG2-CG 4.21Å
438	S	41.7	Very low	58.3	Low	91 Å²	91	91.3 Å²	91.3	64%	0.636	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	23.1	-158.5	47.1	0	0	0	0	115.9	N436	N436-S438 VanDerWaalsContact C-N 3.31Å; N436-S438 PolarHBondContact O-N 3.21Å
439	T	37.5	Very low	55.6	Low	136 Å²	136	96 Å²	96	83%	0.834	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	7.5	173.5	54	0	0	0	0	114.4
440	A	33.2	Very low	52.6	Low	102 Å²	102	103.3 Å²	103.3	84%	0.843	58%	0.575	S	S	*	*			trans	-102.5	70.8	175.8	0	0	0	0	0	110.9
441	S	32.9	Very low	50.1	Low	97 Å²	97	108.4 Å²	108.4	68%	0.678	61%	0.611	S	S	*	*			trans	-113.2	140.8	166.5	58.7	0	0	0	0	109.2
442	T	35.1	Very low	47.7	Very low	134 Å²	134	114.4 Å²	114.4	82%	0.822	64%	0.642	S	S	*	*	S	Bend	trans	59	84.2	-174.2	67	0	0	0	0	115
443	L	39.4	Very low	45.2	Very low	170 Å²	170	122.6 Å²	122.6	89%	0.89	68%	0.68	S	S	*	*				-155.9	155.3	123.7	-103.1	166.3	0	0	0	108.1
444	D	36.4	Very low	43.5	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	71%	0.709	S	S	*	*			trans	-104.5	162.9	-155.6	-52.1	-83.1	0	0	0	114.3
445	E	37.4	Very low	42.8	Very low	181 Å²	181	128.8 Å²	128.8	85%	0.846	71%	0.708	S	S	*	*			trans	66.6	119.9	154.5	-70.9	165.4	-170.9	0	0	120.8
446	E	33.6	Very low	43.4	Very low	188 Å²	188	129.9 Å²	129.9	88%	0.879	71%	0.709	S	S	*	*			trans	59.5	82.6	147.7	-55.4	-166.8	162.9	0	0	121.5
447	E	36.6	Very low	44.7	Very low	164 Å²	164	126.9 Å²	126.9	77%	0.766	69%	0.69	S	S	*	*			trans	-148.7	135.3	147.4	-129	177.3	-136.9	0	0	114.4	L449	E447-L449 HydrophobicContact CG-CD1 4.39Å; E447-L449 PolarHBondContact O-N 3.38Å
448	E	35.7	Very low	46.8	Very low	168 Å²	168	122.5 Å²	122.5	79%	0.785	66%	0.664	S	S	*	*	S	Bend	trans	-79.5	37.1	-173	-156.5	-170.5	-175.1	0	0	113.1	K148	K148-E448 IonicContact NZ-OE1 2.85Å; K148-E448 PolarHBondContact NZ-OE1 2.84Å; K148-E448 IonicContact NZ-OE2 2.72Å; K148-E448 PolarHBondContact NZ-OE2 3.49Å
449	L	38.8	Very low	49.3	Very low	119 Å²	119	118.4 Å²	118.4	62%	0.623	64%	0.635	S	S	*	*			trans	-102.4	1.6	-168.1	-108.6	75.8	0	0	0	116.1	E447 S451	E447-L449 HydrophobicContact CG-CD1 4.39Å; E447-L449 PolarHBondContact O-N 3.38Å; L449-S451 VanDerWaalsContact C-N 3.33Å; L449-S451 PolarHBondContact O-N 2.9Å
450	D	31.5	Very low	52.1	Low	153 Å²	153	111.9 Å²	111.9	82%	0.818	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	57.2	-155.9	-165.5	18.2	0	0	0	116.4
451	S	42.1	Very low	55	Low	108 Å²	108	107 Å²	107	76%	0.755	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.5	-9.7	178.3	62.7	0	0	0	0	117.9	L449	L449-S451 VanDerWaalsContact C-N 3.33Å; L449-S451 PolarHBondContact O-N 2.9Å
452	I	41.4	Very low	57.9	Low	126 Å²	126	102.7 Å²	102.7	65%	0.646	52%	0.524	S	S	*	.	S	Bend	trans	-94.2	-29.4	-170.9	-63.6	178.3	0	0	0	113.2	K454 S455	I452-K454 PolarHBondContact O-N 2.6Å; I452-S455 PolarHBondContact O-OG 3.33Å
453	E	40	Very low	60.7	Low	179 Å²	179	96.3 Å²	96.3	84%	0.836	49%	0.485	S	S	*	.	S	Bend	trans	-84.7	0.2	-167.5	-59.1	-156.6	131.7	0	0	116	S455	E453-S455 VanDerWaalsContact C-N 3.32Å
454	K	53.2	Low	63.1	Low	157 Å²	157	90.3 Å²	90.3	68%	0.683	46%	0.456	S	S	*	.			trans	-98.7	36.5	171.4	-72.8	171.5	-176.8	151.1	0	112.4	T437 I452 E456	T437-K454 HydrophobicContact CG2-CG 4.21Å; I452-K454 PolarHBondContact O-N 2.6Å; K454-E456 PolarHBondContact O-N 2.96Å
455	S	67.9	Low	65.4	Low	53 Å²	53	85.3 Å²	85.3	37%	0.371	43%	0.429	S	S	.	.			trans	-73.1	111.4	179.3	-70.3	0	0	0	0	111.4	P435 I452 E453 F457	P435-S455 VanDerWaalsContact CD-O 3.31Å; P435-S455 WeakPolarHBondContact CD-O 3.39Å; I452-S455 PolarHBondContact O-OG 3.33Å; E453-S455 VanDerWaalsContact C-N 3.32Å; S455-F457 WeakPolarHBondContact O-CE2 3.3Å; S455-F457 WeakPolarHBondContact O-CZ 3.43Å
456	E	84.8	Confident	67.3	Low	70 Å²	70	78.4 Å²	78.4	33%	0.327	40%	0.4	S	S	.	.			trans	-72.5	147.9	164.7	-67.4	-172.5	138.3	0	0	111	I432 T434 K454 R518 I530	I432-E456 HydrophobicContact CG2-CB 3.82Å; I432-E456 HydrophobicContact CG2-CG 4.1Å; T434-E456 HydrophobicContact CG2-CG 4.38Å; K454-E456 PolarHBondContact O-N 2.96Å; E456-R518 IonicContact OE2-NH2 3.12Å; E456-I530 HydrophobicContact CB-CD1 4.06Å; E456-I530 WeakPolarHBondContact O-CD1 3.26Å
457	F	89.7	Confident	68.5	Low	46 Å²	46	77.2 Å²	77.2	20%	0.202	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.5	176.7	-48.3	-60.8	0	0	0	111.4	I432 I433 S455 L515 Y517	I432-F457 CarbonylContact C-O 3.13Å; I432-F457 WeakPolarHBondContact CA-O 3.27Å; I433-F457 PolarHBondContact N-O 3.05Å; I433-F457 PolarHBondContact O-N 3Å; S455-F457 WeakPolarHBondContact O-CE2 3.3Å; S455-F457 WeakPolarHBondContact O-CZ 3.43Å; F457-L515 HydrophobicContact CB-CB 4.42Å; F457-L515 HydrophobicContact CB-CD1 4.27Å; F457-L515 HydrophobicContact CB-CD2 4.22Å; F457-L515 HydrophobicContact CD2-CD1 4.39Å; F457-L515 HydrophobicContact CG-CD1 4.25Å; F457-Y517 AromaticContact CD1-CD1 3.57Å; F457-Y517 HydrophobicContact CD1-CD1 3.57Å; F457-Y517 AromaticContact CD1-CE1 3.44Å; F457-Y517 HydrophobicContact CD1-CE1 3.44Å; F457-Y517 VanDerWaalsContact CD1-CE1 3.44Å; F457-Y517 HydrophobicContact CD1-CG 4.48Å; F457-Y517 AromaticContact CE1-CD1 3.65Å; F457-Y517 HydrophobicContact CE1-CD1 3.65Å; F457-Y517 AromaticContact CE1-CE1 3.38Å; F457-Y517 HydrophobicContact CE1-CE1 3.38Å; F457-Y517 HydrophobicContact CG-CE1 4.5Å; F457-Y517 HydrophobicContact CZ-CE1 4.39Å
458	G	93.5	Very high	69	Low	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	148.3	170.7	0	0	0	0	0	112	G431 L515 F516	G431-G458 WeakPolarHBondContact O-CA 3.04Å; G458-L515 WeakPolarHBondContact O-CA 3.3Å; G458-F516 PolarHBondContact N-O 3.38Å; G458-F516 PolarHBondContact O-N 3.45Å
459	I	95	Very high	69.5	Low	4 Å²	4	71.2 Å²	71.2	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	145.8	175.8	-168	168.8	0	0	0	111	V409 I415 T430 G431 I433 V461 T512 L515	V409-I459 HydrophobicContact CG1-CD1 4.06Å; V409-I459 HydrophobicContact CG2-CD1 4.32Å; I415-I459 HydrophobicContact CD1-CG2 3.85Å; I415-I459 HydrophobicContact CG1-CG2 4.4Å; I415-I459 HydrophobicContact CG2-CG2 4.27Å; T430-I459 WeakPolarHBondContact CA-O 3.25Å; G431-I459 PolarHBondContact N-O 3.16Å; G431-I459 PolarHBondContact O-N 3.4Å; I433-I459 HydrophobicContact CD1-CB 4.48Å; I433-I459 HydrophobicContact CD1-CD1 4.14Å; I433-I459 HydrophobicContact CD1-CG2 4.09Å; I433-I459 HydrophobicContact CG1-CG2 4.22Å; I459-V461 HydrophobicContact CD1-CG2 4.23Å; I459-V461 HydrophobicContact CG1-CG2 4.14Å; I459-V461 HydrophobicContact CG2-CG2 4.16Å; I459-T512 HydrophobicContact CD1-CG2 4.14Å; I459-L515 HydrophobicContact CB-CD2 4.17Å; I459-L515 HydrophobicContact CD1-CD2 4.07Å; I459-L515 HydrophobicContact CG1-CD2 4.33Å
460	L	95.8	Very high	69.4	Low	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.4	161.4	-178.7	82.4	0	0	0	108.5	Y428 L429 T430 T512 S513 I534 I543 I545 L556 L561	Y428-L460 HydrophobicContact CD1-CD2 4.25Å; L429-L460 CarbonylContact O-C 3.59Å; L429-L460 WeakPolarHBondContact O-CA 3.2Å; T430-L460 HydrophobicContact CG2-CD1 3.69Å; L460-T512 CarbonylContact O-C 3.57Å; L460-T512 WeakPolarHBondContact O-CA 3.34Å; L460-S513 PolarHBondContact N-OG 2.79Å; L460-S513 PolarHBondContact O-N 2.87Å; L460-I534 HydrophobicContact CD1-CD1 3.73Å; L460-I534 HydrophobicContact CD1-CG2 4.21Å; L460-I543 HydrophobicContact CD2-CD1 3.76Å; L460-I543 HydrophobicContact CD2-CG2 4.28Å; L460-I545 HydrophobicContact CB-CD1 4.49Å; L460-I545 HydrophobicContact CD2-CD1 4.15Å; L460-L556 HydrophobicContact CD2-CD1 3.76Å; L460-L561 HydrophobicContact CD2-CD1 4.44Å; L460-L561 HydrophobicContact CD2-CD2 4.34Å
461	V	94.6	Very high	69.3	Low	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.5	175.2	-169.3	0	0	0	0	109.2	I407 V409 I415 Y428 L429 I459 I509 T512	I407-V461 HydrophobicContact CG2-CG1 4.33Å; V409-V461 HydrophobicContact CG2-CG1 4.31Å; V409-V461 HydrophobicContact CG2-CG2 3.92Å; I415-V461 HydrophobicContact CD1-CG2 3.68Å; Y428-V461 WeakPolarHBondContact CA-O 3.31Å; L429-V461 HydrophobicContact CD1-CB 3.86Å; L429-V461 HydrophobicContact CD1-CG2 3.97Å; L429-V461 HydrophobicContact CD2-CB 4.44Å; L429-V461 HydrophobicContact CG-CB 3.91Å; L429-V461 PolarHBondContact N-O 3.12Å; L429-V461 PolarHBondContact O-N 2.97Å; I459-V461 HydrophobicContact CD1-CG2 4.23Å; I459-V461 HydrophobicContact CG1-CG2 4.14Å; I459-V461 HydrophobicContact CG2-CG2 4.16Å; V461-I509 HydrophobicContact CG1-CB 4.35Å; V461-I509 HydrophobicContact CG1-CD1 4.1Å; V461-I509 HydrophobicContact CG1-CG1 3.88Å; V461-I509 HydrophobicContact CG1-CG2 3.63Å; V461-T512 HydrophobicContact CG1-CG2 4.12Å; V461-T512 HydrophobicContact CG2-CG2 4.24Å
462	C	94.5	Very high	68.8	Low	5 Å²	5	71.2 Å²	71.2	3%	0.034	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.9	174.4	-175.8	0	0	0	0	109.4	I427 Y428 I510 A511 L561	I427-C462 WeakPolarHBondContact O-CA 3.45Å; Y428-C462 HydrophobicContact CD1-CB 3.7Å; Y428-C462 HydrophobicContact CE1-CB 3.51Å; Y428-C462 WeakPolarHBondContact CE1-SG 3.2Å; Y428-C462 VanDerWaalsContact CZ-SG 3.56Å; C462-I510 PolarHBondContact O-N 3.21Å; C462-A511 PolarHBondContact N-O 2.74Å; C462-A511 PolarHBondContact O-N 2.9Å; C462-L561 HydrophobicContact CB-CD1 4.1Å
463	C	92.6	Very high	68.3	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	152	-179.1	-53.6	0	0	0	0	110.8	V426 I427 F507 P508	V426-C463 WeakPolarHBondContact CA-O 3.38Å; V426-C463 WeakPolarHBondContact CB-O 3.46Å; I427-C463 PolarHBondContact N-O 3.12Å; I427-C463 PolarHBondContact O-N 2.83Å; C463-F507 HydrophobicContact CB-CB 4.31Å; C463-P508 VanDerWaalsContact CA-O 3.28Å; C463-P508 WeakPolarHBondContact CA-O 3.28Å
464	T	90.3	Very high	67.7	Low	45 Å²	45	73 Å²	73	28%	0.276	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	175.2	157.4	75.2	0	0	0	0	110.1	V426 F507 P508 I510	V426-T464 HydrophobicContact CG1-CG2 4.41Å; T464-F507 WeakPolarHBondContact O-CA 3.43Å; T464-P508 PolarHBondContact N-O 3.48Å; T464-P508 VanDerWaalsContact N-O 3.09Å; T464-P508 VanDerWaalsContact OG1-CG 3.29Å; T464-P508 WeakPolarHBondContact OG1-CG 3.45Å; T464-I510 HydrophobicContact CG2-CD1 3.44Å; T464-I510 VanDerWaalsContact CG2-CD1 3.44Å; T464-I510 HydrophobicContact CG2-CG1 3.84Å
465	I	84.7	Confident	66.6	Low	26 Å²	26	73.2 Å²	73.2	13%	0.133	39%	0.385	C	S	.	.			trans	-89.7	142.6	150.1	-56.6	163.8	0	0	0	106.4	F364 L377 F422 I427	F364-I465 HydrophobicContact CD1-CD1 4.46Å; F364-I465 HydrophobicContact CE1-CD1 4.48Å; L377-I465 HydrophobicContact CD1-CD1 4.34Å; L377-I465 HydrophobicContact CD2-CD1 3.58Å; L377-I465 HydrophobicContact CD2-CG1 3.87Å; L377-I465 HydrophobicContact CD2-CG2 3.95Å; F422-I465 HydrophobicContact CE1-CD1 4.29Å; I427-I465 HydrophobicContact CD1-CD1 4.25Å; I427-I465 HydrophobicContact CD1-CG1 3.72Å; I427-I465 HydrophobicContact CG1-CG1 4.46Å
466	S	76.6	Confident	64.6	Low	35 Å²	35	76.2 Å²	76.2	25%	0.245	40%	0.401	C	S	.	.			trans	-78.6	122.2	168.7	-68	0	0	0	0	110	E468 N505 P506 P508	S466-E468 PolarHBondContact O-N 2.81Å; S466-N505 PolarHBondContact OG-O 2.78Å; S466-P506 PolarHBondContact N-O 2.6Å; S466-P508 WeakPolarHBondContact OG-CD 3.44Å
467	D	58.7	Low	61.9	Low	163 Å²	163	78.3 Å²	78.3	87%	0.872	42%	0.421	S	S	*	.			trans	-72	13.3	-178.1	-67.2	-47.9	0	0	0	114.5	D469	D467-D469 PolarHBondContact O-N 2.72Å
468	E	48.3	Very low	59.2	Low	116 Å²	116	82 Å²	82	54%	0.542	45%	0.448	S	S	.	.			trans	-74	75.9	171.2	-67.3	-165.4	150.1	0	0	110.7	S466 H470 T504	S466-E468 PolarHBondContact O-N 2.81Å; E468-H470 PolarHBondContact O-N 3.32Å; E468-T504 PolarHBondContact OE2-OG1 3.17Å; E468-T504 VanDerWaalsContact OE2-OG1 3.09Å
469	D	45.4	Very low	56.1	Low	91 Å²	91	89.8 Å²	89.8	49%	0.487	49%	0.489	S	S	.	.			trans	-53.9	114.8	154.9	-97.1	-33	0	0	0	107.5	K379 D467 S471	K379-D469 IonicContact NZ-OD1 3.12Å; K379-D469 PolarHBondContact NZ-OD1 2.67Å; K379-D469 IonicContact NZ-OD2 3.83Å; K379-D469 PolarHBondContact NZ-OD2 2.83Å; D467-D469 PolarHBondContact O-N 2.72Å; D469-S471 PolarHBondContact O-N 3.1Å
470	H	36.4	Very low	53.1	Low	161 Å²	161	96.8 Å²	96.8	75%	0.745	53%	0.525	S	S	*	.			trans	-65.5	78.7	173.9	-72.1	-19	0	0	0	110	E468 N472	E468-H470 PolarHBondContact O-N 3.32Å; H470-N472 PolarHBondContact O-N 2.83Å
471	S	31.3	Very low	50.1	Low	101 Å²	101	104.7 Å²	104.7	71%	0.706	57%	0.567	S	S	*	*			trans	-58.9	108.1	168.9	44.7	0	0	0	0	108.2	D469 K473	D469-S471 PolarHBondContact O-N 3.1Å; S471-K473 PolarHBondContact O-N 3.34Å
472	N	30.2	Very low	47.1	Very low	117 Å²	117	108 Å²	108	63%	0.626	60%	0.601	S	S	*	*			trans	-55.9	106.4	177.9	-67.4	-60.3	0	0	0	108.8	H470 N474	H470-N472 PolarHBondContact O-N 2.83Å; N472-N474 PolarHBondContact O-N 2.84Å
473	K	31.2	Very low	44	Very low	192 Å²	192	112 Å²	112	84%	0.835	64%	0.643	S	S	*	*			trans	-63	134.5	166.2	-75.1	-179.1	177.9	173.1	0	107.4	S471 D475	S471-K473 PolarHBondContact O-N 3.34Å; K473-D475 PolarHBondContact O-N 2.98Å
474	N	28	Very low	41.2	Very low	150 Å²	150	115.5 Å²	115.5	80%	0.802	68%	0.679	S	S	*	*			trans	-69.3	95.5	-163.6	-59	-62.5	0	0	0	112.9	N472 T476	N472-N474 PolarHBondContact O-N 2.84Å; N474-T476 PolarHBondContact O-N 3.46Å
475	D	28.5	Very low	38.6	Very low	162 Å²	162	124.2 Å²	124.2	87%	0.866	71%	0.707	S	S	*	*			trans	-81.7	91.5	155.7	-80.6	-32.5	0	0	0	108.9	K473 P477	K473-D475 PolarHBondContact O-N 2.98Å; D475-P477 WeakPolarHBondContact O-CD 3.33Å
476	T	27.4	Very low	36.4	Very low	116 Å²	116	128.8 Å²	128.8	71%	0.712	73%	0.731	S	S	*	*			trans	-61.6	123.2	179.5	1.8	0	0	0	0	111.3	N474 T478	N474-T476 PolarHBondContact O-N 3.46Å; T476-T478 PolarHBondContact O-N 3.47Å
477	P	27.9	Very low	34.5	Very low	115 Å²	115	133 Å²	133	75%	0.747	75%	0.751	S	S	*	*			trans	-75.6	95.6	178.2	30	-34.1	0	0	0	110.8	D475 L479	D475-P477 WeakPolarHBondContact O-CD 3.33Å; P477-L479 PolarHBondContact O-N 2.8Å
478	T	32.2	Very low	33.5	Very low	123 Å²	123	131 Å²	131	76%	0.755	74%	0.741	S	S	*	*			trans	-71.4	120.5	171.6	33.7	0	0	0	0	110.8	T476 I480	T476-T478 PolarHBondContact O-N 3.47Å; T478-I480 PolarHBondContact O-N 2.99Å
479	L	28	Very low	32.9	Very low	164 Å²	164	131.7 Å²	131.7	86%	0.859	75%	0.748	S	S	*	*			trans	-68	127.2	173.5	-73.1	79.4	0	0	0	110.1	P477	P477-L479 PolarHBondContact O-N 2.8Å
480	I	33.7	Very low	32.4	Very low	151 Å²	151	135.6 Å²	135.6	77%	0.774	76%	0.763	S	S	*	*			trans	-129.4	91.4	159.2	-53.2	-178.2	0	0	0	108.8	T478	T478-I480 PolarHBondContact O-N 2.99Å
481	N	31.3	Very low	32.2	Very low	165 Å²	165	136.3 Å²	136.3	88%	0.882	77%	0.767	S	S	*	*			trans	-86.7	131.3	158.2	-96.1	-21.7	0	0	0	108.1
482	G	31.5	Very low	32.5	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	78%	0.775	S	S	*	*			trans	128.7	104.8	174.8	0	0	0	0	0	112.2
483	G	30.8	Very low	32.4	Very low	89 Å²	89	140.1 Å²	140.1	92%	0.918	79%	0.785	S	S	*	*			trans	-78.7	162.2	-178.5	0	0	0	0	0	113.7
484	G	33.6	Very low	32.6	Very low	73 Å²	73	135.9 Å²	135.9	75%	0.753	78%	0.779	S	S	*	*			trans	179.4	87	178.1	0	0	0	0	0	114.9
485	R	35	Very low	32.8	Very low	229 Å²	229	137 Å²	137	86%	0.864	78%	0.78	S	S	*	*			trans	47.7	119.7	146.5	-75.1	-179.7	166.7	158.6	-4.3	120.5
486	N	37.9	Very low	32.8	Very low	121 Å²	121	134.4 Å²	134.4	65%	0.647	77%	0.774	S	S	*	*				83.3	116.8	122.9	-66.4	23.6	0	0	0	120.8
487	N	37	Very low	33	Very low	124 Å²	124	136.3 Å²	136.3	66%	0.663	78%	0.78	S	S	*	*				92.8	121.3	119.3	-71.6	23.7	0	0	0	121.2
488	N	37.6	Very low	33.1	Very low	122 Å²	122	139.7 Å²	139.7	65%	0.652	79%	0.785	S	S	*	*			trans	95	96.5	132.9	-65	9.8	0	0	0	120.7
489	N	36.9	Very low	33	Very low	130 Å²	130	141 Å²	141	70%	0.695	79%	0.788	S	S	*	*				95.1	143.5	114	-65.6	1.3	0	0	0	121.7
490	H	34.8	Very low	33	Very low	173 Å²	173	140 Å²	140	80%	0.801	79%	0.789	S	S	*	*			trans	84.4	102.3	155.7	-84.3	-63.5	0	0	0	121.1
491	E	31.4	Very low	32.9	Very low	176 Å²	176	138 Å²	138	82%	0.822	79%	0.788	S	S	*	*			trans	-63	147.9	150.2	-50.9	156.4	126	0	0	110.9
492	T	37.1	Very low	33.1	Very low	143 Å²	143	135.7 Å²	135.7	88%	0.877	79%	0.785	S	S	*	*			trans	-158.8	154.1	138.9	17.8	0	0	0	0	108.9
493	N	29.7	Very low	34	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	79%	0.789	S	S	*	*			trans	-80	155.6	-175.7	-51.9	-58.5	0	0	0	112.2
494	S	34.3	Very low	35.7	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	77%	0.77	S	S	*	*				167.2	140	110.8	-86.8	0	0	0	0	114.9
495	E	32.6	Very low	37.9	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.813	75%	0.751	S	S	*	*			trans	57.2	106.4	140.9	-62.3	179.7	159.7	0	0	121.5
496	S	28.7	Very low	40.4	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	72%	0.721	S	S	*	*			trans	38.1	115.6	136.4	61	0	0	0	0	120.7
497	N	30.4	Very low	42.9	Very low	156 Å²	156	122.3 Å²	122.3	83%	0.834	69%	0.69	S	S	*	*			trans	-134.2	124.5	140	-105.7	-57.6	0	0	0	109.9
498	Q	29.8	Very low	45.4	Very low	185 Å²	185	118.6 Å²	118.6	86%	0.864	67%	0.673	S	S	*	*			trans	-81.4	123.2	175.1	-68.8	177.8	-14.9	0	0	109.3
499	N	30.5	Very low	47.9	Very low	152 Å²	152	115.8 Å²	115.8	81%	0.813	66%	0.657	S	S	*	*			trans	-126.7	115.5	166.9	-88.1	-47	0	0	0	109.1	S501	N499-S501 PolarHBondContact O-N 3.03Å; N499-S501 VanDerWaalsContact O-N 3.1Å
500	T	28.1	Very low	50.5	Low	143 Å²	143	114.1 Å²	114.1	88%	0.877	65%	0.647	S	S	*	*			trans	-79.3	89	-176.9	50.2	0	0	0	0	111.3	S502	T500-S502 PolarHBondContact O-N 3.49Å
501	S	32.6	Very low	53.3	Low	109 Å²	109	107.7 Å²	107.7	76%	0.762	62%	0.624	S	S	*	*			trans	-75.1	113.3	165	54.9	0	0	0	0	109.9	N499 S503	N499-S501 PolarHBondContact O-N 3.03Å; N499-S501 VanDerWaalsContact O-N 3.1Å; S501-S503 PolarHBondContact O-N 3.11Å
502	S	35	Very low	56.3	Low	115 Å²	115	101.2 Å²	101.2	80%	0.804	60%	0.597	S	S	*	*			trans	-69.9	97	178.3	54.4	0	0	0	0	111.3	T500 T504	T500-S502 PolarHBondContact O-N 3.49Å; S502-T504 PolarHBondContact O-N 2.9Å; S502-T504 VanDerWaalsContact O-N 3.17Å
503	S	49.6	Very low	59	Low	116 Å²	116	94.9 Å²	94.9	81%	0.811	56%	0.558	S	S	*	*			trans	-69.3	106	172.9	54.5	0	0	0	0	110.4	S501 N505	S501-S503 PolarHBondContact O-N 3.11Å; S503-N505 PolarHBondContact O-N 3.13Å
504	T	67	Low	62	Low	86 Å²	86	90.7 Å²	90.7	53%	0.528	54%	0.541	S	S	.	.			trans	-64.6	125.8	173	34.3	0	0	0	0	110.1	E468 S502	E468-T504 PolarHBondContact OE2-OG1 3.17Å; E468-T504 VanDerWaalsContact OE2-OG1 3.09Å; S502-T504 PolarHBondContact O-N 2.9Å; S502-T504 VanDerWaalsContact O-N 3.17Å
505	N	80.4	Confident	64.8	Low	64 Å²	64	88.8 Å²	88.8	34%	0.342	52%	0.522	S	S	.	.			trans	-67.6	126.9	174.3	180	-1.6	0	0	0	108.9	S466 S503 F507	S466-N505 PolarHBondContact OG-O 2.78Å; S503-N505 PolarHBondContact O-N 3.13Å; N505-F507 PolarHBondContact ND2-O 3.33Å; N505-F507 PolarHBondContact O-N 2.76Å; N505-F507 PolarHBondContact OD1-N 2.83Å
506	P	87.1	Confident	67.7	Low	36 Å²	36	81 Å²	81	23%	0.234	49%	0.486	C	S	.	.	S	Bend	trans	-68.3	-18	178.2	26.6	-35.9	0	0	0	114.3	I403 S466	I403-P506 HydrophobicContact CG2-CB 3.36Å; I403-P506 HydrophobicContact CG2-CG 3.88Å; S466-P506 PolarHBondContact N-O 2.6Å
507	F	89.6	Confident	70.7	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	48%	0.475	C	S	.	.	S	Bend	trans	-125.4	73.8	177.8	-53	-55.5	0	0	0	110.3	L375 L377 I403 I407 I427 C463 T464 N505 I509	L375-F507 HydrophobicContact CB-CD2 4.11Å; L375-F507 HydrophobicContact CB-CE2 4.05Å; L375-F507 HydrophobicContact CD2-CB 4.44Å; L375-F507 HydrophobicContact CD2-CD1 4.22Å; L375-F507 HydrophobicContact CD2-CD2 3.8Å; L375-F507 HydrophobicContact CD2-CE1 4.47Å; L375-F507 HydrophobicContact CD2-CE2 4.07Å; L375-F507 HydrophobicContact CD2-CG 3.9Å; L375-F507 HydrophobicContact CD2-CZ 4.4Å; L375-F507 HydrophobicContact CG-CD2 4.1Å; L375-F507 HydrophobicContact CG-CE2 3.92Å; L375-F507 HydrophobicContact CG-CZ 4.31Å; L375-F507 WeakPolarHBondContact O-CE2 3.48Å; L377-F507 HydrophobicContact CB-CE1 3.92Å; L377-F507 HydrophobicContact CB-CZ 3.65Å; L377-F507 HydrophobicContact CD2-CE1 4.05Å; I403-F507 HydrophobicContact CB-CZ 4.3Å; I403-F507 HydrophobicContact CG2-CE1 4.26Å; I403-F507 HydrophobicContact CG2-CE2 4.31Å; I403-F507 HydrophobicContact CG2-CZ 3.77Å; I407-F507 HydrophobicContact CD1-CB 3.79Å; I407-F507 HydrophobicContact CD1-CD2 4.17Å; I407-F507 HydrophobicContact CD1-CG 4.39Å; I427-F507 HydrophobicContact CD1-CD1 4.3Å; I427-F507 HydrophobicContact CD1-CE1 4.38Å; C463-F507 HydrophobicContact CB-CB 4.31Å; T464-F507 WeakPolarHBondContact O-CA 3.43Å; N505-F507 PolarHBondContact ND2-O 3.33Å; N505-F507 PolarHBondContact O-N 2.76Å; N505-F507 PolarHBondContact OD1-N 2.83Å; F507-I509 PolarHBondContact O-N 2.85Å
508	P	89.9	Confident	73.7	Confident	46 Å²	46	76.8 Å²	76.8	30%	0.299	44%	0.443	S	S	.	.			trans	-70.1	131.1	-179.9	30.2	-33.8	0	0	0	110	C463 T464 S466	C463-P508 VanDerWaalsContact CA-O 3.28Å; C463-P508 WeakPolarHBondContact CA-O 3.28Å; T464-P508 PolarHBondContact N-O 3.48Å; T464-P508 VanDerWaalsContact N-O 3.09Å; T464-P508 VanDerWaalsContact OG1-CG 3.29Å; T464-P508 WeakPolarHBondContact OG1-CG 3.45Å; S466-P508 WeakPolarHBondContact OG-CD 3.44Å
509	I	91.3	Very high	76.6	Confident	62 Å²	62	70 Å²	70	32%	0.318	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.8	-178.9	-61.1	168.6	0	0	0	109	I407 I408 V409 V461 F507 T512	I407-I509 HydrophobicContact CG2-CD1 4.05Å; I407-I509 HydrophobicContact CG2-CG1 4.45Å; I408-I509 VanDerWaalsContact O-CD1 3.31Å; I408-I509 WeakPolarHBondContact O-CD1 3.36Å; V409-I509 HydrophobicContact CG2-CD1 3.81Å; V461-I509 HydrophobicContact CG1-CB 4.35Å; V461-I509 HydrophobicContact CG1-CD1 4.1Å; V461-I509 HydrophobicContact CG1-CG1 3.88Å; V461-I509 HydrophobicContact CG1-CG2 3.63Å; F507-I509 PolarHBondContact O-N 2.85Å; I509-T512 HydrophobicContact CG2-CG2 4.13Å
510	I	91.3	Very high	79.5	Confident	95 Å²	95	66.4 Å²	66.4	49%	0.487	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-43.6	178.1	-41.7	176.3	0	0	0	110.3	V426 C462 T464	V426-I510 HydrophobicContact CB-CD1 4.21Å; V426-I510 HydrophobicContact CG1-CD1 3.48Å; V426-I510 VanDerWaalsContact CG1-CD1 3.48Å; C462-I510 PolarHBondContact O-N 3.21Å; T464-I510 HydrophobicContact CG2-CD1 3.44Å; T464-I510 VanDerWaalsContact CG2-CD1 3.44Å; T464-I510 HydrophobicContact CG2-CG1 3.84Å
511	A	92.4	Very high	82.4	Confident	38 Å²	38	60.2 Å²	60.2	31%	0.314	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	156.2	-174.2	0	0	0	0	0	111.4	C462 L561	C462-A511 PolarHBondContact N-O 2.74Å; C462-A511 PolarHBondContact O-N 2.9Å; A511-L561 HydrophobicContact CB-CD1 3.8Å
512	T	94.2	Very high	85.1	Confident	41 Å²	41	55 Å²	55	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.2	173.7	47.8	0	0	0	0	110	V409 I459 L460 V461 I509	V409-T512 HydrophobicContact CG1-CG2 4.06Å; V409-T512 HydrophobicContact CG2-CG2 3.79Å; I459-T512 HydrophobicContact CD1-CG2 4.14Å; L460-T512 CarbonylContact O-C 3.57Å; L460-T512 WeakPolarHBondContact O-CA 3.34Å; V461-T512 HydrophobicContact CG1-CG2 4.12Å; V461-T512 HydrophobicContact CG2-CG2 4.24Å; I509-T512 HydrophobicContact CG2-CG2 4.13Å
513	S	94.9	Very high	87.7	Confident	9 Å²	9	54.4 Å²	54.4	6%	0.063	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-80.6	168.4	166.2	68.4	0	0	0	0	111.9	L460 F516 L561	L460-S513 PolarHBondContact N-OG 2.79Å; L460-S513 PolarHBondContact O-N 2.87Å; S513-F516 WeakPolarHBondContact OG-CE2 3.38Å; S513-L561 VanDerWaalsContact CA-O 3.24Å; S513-L561 WeakPolarHBondContact CA-O 3.32Å; S513-L561 WeakPolarHBondContact CB-O 3.34Å
514	S	91.7	Very high	89.6	Confident	68 Å²	68	56.1 Å²	56.1	48%	0.476	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.2	153.6	154.5	-71.7	0	0	0	0	110.3	T562	S514-T562 WeakPolarHBondContact CB-O 3.36Å; S514-T562 PolarHBondContact OG-O 2.76Å
515	L	92.8	Very high	90.6	Very high	63 Å²	63	53.5 Å²	53.5	33%	0.33	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.3	174.8	-63.9	178.6	0	0	0	111.2	I433 F457 G458 I459 Y517	I433-L515 HydrophobicContact CD1-CD2 4.2Å; F457-L515 HydrophobicContact CB-CB 4.42Å; F457-L515 HydrophobicContact CB-CD1 4.27Å; F457-L515 HydrophobicContact CB-CD2 4.22Å; F457-L515 HydrophobicContact CD2-CD1 4.39Å; F457-L515 HydrophobicContact CG-CD1 4.25Å; G458-L515 WeakPolarHBondContact O-CA 3.3Å; I459-L515 HydrophobicContact CB-CD2 4.17Å; I459-L515 HydrophobicContact CD1-CD2 4.07Å; I459-L515 HydrophobicContact CG1-CD2 4.33Å; L515-Y517 HydrophobicContact CB-CD2 4.5Å; L515-Y517 HydrophobicContact CB-CE2 3.73Å; L515-Y517 WeakPolarHBondContact O-CD2 3.24Å; L515-Y517 VanDerWaalsContact O-CE2 3.28Å; L515-Y517 WeakPolarHBondContact O-CE2 3.25Å
516	F	94.2	Very high	91	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.039	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-91.8	133.5	170	-63.7	-89.2	0	0	0	109.2	G458 S513 I530 I531 I545 Q547 L556 I564	G458-F516 PolarHBondContact N-O 3.38Å; G458-F516 PolarHBondContact O-N 3.45Å; S513-F516 WeakPolarHBondContact OG-CE2 3.38Å; F516-I530 HydrophobicContact CB-CG2 3.91Å; F516-I531 HydrophobicContact CD2-CD1 3.85Å; F516-I531 HydrophobicContact CE2-CD1 3.77Å; F516-I531 HydrophobicContact CZ-CD1 4.44Å; F516-I545 HydrophobicContact CE2-CD1 4.45Å; F516-I545 HydrophobicContact CZ-CD1 3.94Å; F516-Q547 HydrophobicContact CD1-CG 4.47Å; F516-L556 HydrophobicContact CZ-CD1 4.43Å; F516-L556 HydrophobicContact CZ-CD2 4.44Å; F516-I564 HydrophobicContact CE1-CD1 3.98Å; F516-I564 HydrophobicContact CE1-CG1 4.4Å
517	Y	92.8	Very high	91.1	Very high	137 Å²	137	60.4 Å²	60.4	54%	0.537	31%	0.313	S	S	.	.			trans	-115.8	156.5	-178.3	-63	-98.1	0	0	0	109.7	F457 L515 D519 N550	F457-Y517 AromaticContact CD1-CD1 3.57Å; F457-Y517 HydrophobicContact CD1-CD1 3.57Å; F457-Y517 AromaticContact CD1-CE1 3.44Å; F457-Y517 HydrophobicContact CD1-CE1 3.44Å; F457-Y517 VanDerWaalsContact CD1-CE1 3.44Å; F457-Y517 HydrophobicContact CD1-CG 4.48Å; F457-Y517 AromaticContact CE1-CD1 3.65Å; F457-Y517 HydrophobicContact CE1-CD1 3.65Å; F457-Y517 AromaticContact CE1-CE1 3.38Å; F457-Y517 HydrophobicContact CE1-CE1 3.38Å; F457-Y517 HydrophobicContact CG-CE1 4.5Å; F457-Y517 HydrophobicContact CZ-CE1 4.39Å; L515-Y517 HydrophobicContact CB-CD2 4.5Å; L515-Y517 HydrophobicContact CB-CE2 3.73Å; L515-Y517 WeakPolarHBondContact O-CD2 3.24Å; L515-Y517 VanDerWaalsContact O-CE2 3.28Å; L515-Y517 WeakPolarHBondContact O-CE2 3.25Å; Y517-D519 PolarHBondContact O-N 3.46Å; Y517-N550 PolarHBondContact O-ND2 3.3Å
518	R	93.3	Very high	91.2	Very high	39 Å²	39	61 Å²	61	15%	0.147	32%	0.316	C	S	.	.			trans	-64.5	128.2	165	-69.3	177.9	-177.9	-81.1	-1.3	109.2	E456 G522 L523 R525 Q526 Q528 I530 N550	E456-R518 IonicContact OE2-NH2 3.12Å; R518-G522 WeakPolarHBondContact CD-O 3.38Å; R518-G522 PolarHBondContact NH1-O 3.18Å; R518-L523 HydrophobicContact CB-CD2 4.2Å; R518-L523 HydrophobicContact CB-CG 4.26Å; R518-R525 PolarHBondContact NH1-O 3.24Å; R518-Q526 PolarHBondContact NH2-O 3.49Å; R518-Q528 PolarHBondContact NH1-O 2.87Å; R518-Q528 VanDerWaalsContact NH1-O 3.11Å; R518-Q528 PolarHBondContact NH2-O 3.5Å; R518-I530 HydrophobicContact CG-CD1 3.89Å; R518-I530 HydrophobicContact CG-CG1 3.78Å; R518-N550 WeakPolarHBondContact CA-OD1 3.34Å
519	D	90.5	Very high	91.3	Very high	41 Å²	41	59.9 Å²	59.9	22%	0.219	31%	0.309	C	S	.	.			trans	-88.5	-169.7	167.9	82.8	-12.7	0	0	0	110.8	Y517 V521 G522 L523 N550	Y517-D519 PolarHBondContact O-N 3.46Å; D519-V521 PolarHBondContact O-N 3.3Å; D519-V521 WeakPolarHBondContact OD1-CA 3.3Å; D519-V521 WeakPolarHBondContact OD1-CB 3.26Å; D519-V521 PolarHBondContact OD1-N 2.85Å; D519-G522 PolarHBondContact O-N 3Å; D519-G522 VanDerWaalsContact O-N 3.16Å; D519-G522 PolarHBondContact OD1-N 3.24Å; D519-L523 VanDerWaalsContact O-CG 3.3Å; D519-L523 WeakPolarHBondContact O-CG 3.34Å; D519-L523 PolarHBondContact O-N 2.77Å; D519-N550 PolarHBondContact N-OD1 3.14Å; D519-N550 PolarHBondContact OD1-OD1 2.95Å
520	N	89.7	Confident	91.5	Very high	77 Å²	77	57 Å²	57	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-55.7	-36.7	178	-80.6	65.6	0	0	0	112.8
521	V	90.9	Very high	91.7	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.085	27%	0.27	C	S	.	.	H	α-helix	trans	-76.7	-40.2	177.1	168	0	0	0	0	110.4	D519 L523 E524 R525 A549 A551 Q574	D519-V521 PolarHBondContact O-N 3.3Å; D519-V521 WeakPolarHBondContact OD1-CA 3.3Å; D519-V521 WeakPolarHBondContact OD1-CB 3.26Å; D519-V521 PolarHBondContact OD1-N 2.85Å; V521-L523 VanDerWaalsContact C-N 3.26Å; V521-L523 PolarHBondContact O-N 2.96Å; V521-E524 PolarHBondContact O-N 3.37Å; V521-R525 WeakPolarHBondContact O-CB 3.24Å; V521-R525 WeakPolarHBondContact O-CG 3.24Å; V521-R525 PolarHBondContact O-N 2.65Å; V521-A549 CarbonylContact C-O 3.21Å; V521-A551 HydrophobicContact CG1-CB 3.81Å; V521-Q574 HydrophobicContact CG1-CG 4.31Å; V521-Q574 VanDerWaalsContact CG1-NE2 3.29Å
522	G	88.8	Confident	91.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-27.3	174.2	0	0	0	0	0	114.9	R518 D519 R525 A549 N550	R518-G522 WeakPolarHBondContact CD-O 3.38Å; R518-G522 PolarHBondContact NH1-O 3.18Å; D519-G522 PolarHBondContact O-N 3Å; D519-G522 VanDerWaalsContact O-N 3.16Å; D519-G522 PolarHBondContact OD1-N 3.24Å; G522-R525 CarbonylContact O-C 3.54Å; G522-R525 PolarHBondContact O-N 2.81Å; G522-A549 VanDerWaalsContact CA-O 3.31Å; G522-A549 WeakPolarHBondContact CA-O 3.48Å; G522-A549 PolarHBondContact N-O 2.84Å; G522-N550 WeakPolarHBondContact CA-OD1 3.13Å
523	L	89.7	Confident	91.8	Very high	102 Å²	102	50.2 Å²	50.2	53%	0.534	25%	0.25	S	S	.	.	H	α-helix	trans	-74.3	-30.7	176.2	-74.8	172.3	0	0	0	113.2	R518 D519 V521 R525 Q526	R518-L523 HydrophobicContact CB-CD2 4.2Å; R518-L523 HydrophobicContact CB-CG 4.26Å; D519-L523 VanDerWaalsContact O-CG 3.3Å; D519-L523 WeakPolarHBondContact O-CG 3.34Å; D519-L523 PolarHBondContact O-N 2.77Å; V521-L523 VanDerWaalsContact C-N 3.26Å; V521-L523 PolarHBondContact O-N 2.96Å; L523-R525 VanDerWaalsContact C-N 3.31Å; L523-Q526 WeakPolarHBondContact O-CG 3.48Å; L523-Q526 PolarHBondContact O-NE2 3.04Å
524	E	88.7	Confident	91.9	Very high	152 Å²	152	49.8 Å²	49.8	71%	0.71	25%	0.247	S	C	*	.	H	α-helix	trans	-76.5	-23	172.4	-65.6	170.4	-178	0	0	111.5	V521	V521-E524 PolarHBondContact O-N 3.37Å
525	R	88.2	Confident	92.1	Very high	31 Å²	31	47 Å²	47	12%	0.117	23%	0.227	C	C	.	.			trans	-108.6	49.6	-172	-68	170.5	162.8	-127	-13.2	113.1	R518 V521 G522 L523 N527 Q528 A549 Q574 S576	R518-R525 PolarHBondContact NH1-O 3.24Å; V521-R525 WeakPolarHBondContact O-CB 3.24Å; V521-R525 WeakPolarHBondContact O-CG 3.24Å; V521-R525 PolarHBondContact O-N 2.65Å; G522-R525 CarbonylContact O-C 3.54Å; G522-R525 PolarHBondContact O-N 2.81Å; L523-R525 VanDerWaalsContact C-N 3.31Å; R525-N527 PolarHBondContact O-N 2.8Å; R525-N527 VanDerWaalsContact O-N 3.17Å; R525-Q528 HydrophobicContact CB-CB 4.25Å; R525-Q528 HydrophobicContact CB-CG 4.03Å; R525-Q528 WeakPolarHBondContact O-CB 3.37Å; R525-Q528 PolarHBondContact O-N 2.71Å; R525-A549 WeakPolarHBondContact CD-O 3.37Å; R525-Q574 VanDerWaalsContact CZ-OE1 3.24Å; R525-Q574 VanDerWaalsContact NH2-CD 3.31Å; R525-Q574 VanDerWaalsContact NH2-CG 3.33Å; R525-Q574 PolarHBondContact NH2-O 3.35Å; R525-S576 PolarHBondContact NH1-OG 3.2Å
526	Q	88.4	Confident	92.1	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.5	-176.6	-61.5	-63.9	-12.7	0	0	114.1	R518 L523 Q528	R518-Q526 PolarHBondContact NH2-O 3.49Å; L523-Q526 WeakPolarHBondContact O-CG 3.48Å; L523-Q526 PolarHBondContact O-NE2 3.04Å; Q526-Q528 VanDerWaalsContact C-N 3.29Å; Q526-Q528 PolarHBondContact O-N 2.76Å
527	N	89.3	Confident	91.9	Very high	136 Å²	136	44.5 Å²	44.5	73%	0.727	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-16.2	175.8	66.2	-36.7	0	0	0	114.3	R525	R525-N527 PolarHBondContact O-N 2.8Å; R525-N527 VanDerWaalsContact O-N 3.17Å
528	Q	91.8	Very high	91.5	Very high	11 Å²	11	42.1 Å²	42.1	5%	0.051	21%	0.208	C	C	.	.	S	Bend	trans	-91.1	143	175.5	-59.9	-71.4	8.5	0	0	109.8	R518 R525 Q526 P548 A549 S576 Y578 T595	R518-Q528 PolarHBondContact NH1-O 2.87Å; R518-Q528 VanDerWaalsContact NH1-O 3.11Å; R518-Q528 PolarHBondContact NH2-O 3.5Å; R525-Q528 HydrophobicContact CB-CB 4.25Å; R525-Q528 HydrophobicContact CB-CG 4.03Å; R525-Q528 WeakPolarHBondContact O-CB 3.37Å; R525-Q528 PolarHBondContact O-N 2.71Å; Q526-Q528 VanDerWaalsContact C-N 3.29Å; Q526-Q528 PolarHBondContact O-N 2.76Å; Q528-P548 HydrophobicContact CB-CB 4.47Å; Q528-A549 HydrophobicContact CB-CB 3.92Å; Q528-S576 PolarHBondContact NE2-OG 3.01Å; Q528-S576 VanDerWaalsContact NE2-OG 3.13Å; Q528-Y578 VanDerWaalsContact OE1-CE2 3.24Å; Q528-Y578 PolarHBondContact OE1-OH 2.96Å; Q528-T595 PolarHBondContact NE2-OG1 2.81Å
529	P	92.7	Very high	91	Very high	24 Å²	24	44.4 Å²	44.4	16%	0.156	23%	0.226	C	C	.	.			trans	-75.5	150.7	173.5	27.3	-27.3	0	0	0	111.8	L418 I531 F532 P548 A549 Y578	L418-P529 HydrophobicContact CD1-CB 3.62Å; L418-P529 HydrophobicContact CD1-CG 4.36Å; P529-I531 PolarHBondContact O-N 3.49Å; P529-F532 HydrophobicContact CG-CB 4.4Å; P529-F532 HydrophobicContact CG-CD2 3.8Å; P529-F532 HydrophobicContact CG-CG 4.48Å; P529-P548 HydrophobicContact CG-CG 3.92Å; P529-P548 WeakPolarHBondContact O-CD 3.25Å; P529-P548 WeakPolarHBondContact O-CG 3.4Å; P529-A549 VanDerWaalsContact O-CB 3.32Å; P529-A549 WeakPolarHBondContact O-CB 3.29Å; P529-A549 PolarHBondContact O-N 3.24Å; P529-Y578 VanDerWaalsContact CD-OH 3.27Å; P529-Y578 WeakPolarHBondContact CD-OH 3.4Å; P529-Y578 HydrophobicContact CG-CE1 4.27Å
530	I	94.8	Very high	90.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-65.8	-40.3	-175.8	-54	177.6	0	0	0	111.3	I432 E456 F516 R518 Q547	I432-I530 HydrophobicContact CD1-CB 4.05Å; I432-I530 HydrophobicContact CD1-CG1 4.27Å; E456-I530 HydrophobicContact CB-CD1 4.06Å; E456-I530 WeakPolarHBondContact O-CD1 3.26Å; F516-I530 HydrophobicContact CB-CG2 3.91Å; R518-I530 HydrophobicContact CG-CD1 3.89Å; R518-I530 HydrophobicContact CG-CG1 3.78Å; I530-Q547 VanDerWaalsContact O-CA 3.25Å; I530-Q547 WeakPolarHBondContact O-CA 3.1Å; I530-Q547 WeakPolarHBondContact O-CB 3.2Å; I530-Q547 WeakPolarHBondContact O-CG 3.5Å
531	I	95.7	Very high	90.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-133.3	144.4	178.8	-172.8	170.5	0	0	0	108.1	L418 T430 G431 I432 F516 P529 I545	L418-I531 VanDerWaalsContact CD1-O 3.32Å; L418-I531 WeakPolarHBondContact CD1-O 3.42Å; T430-I531 HydrophobicContact CG2-CD1 3.53Å; T430-I531 HydrophobicContact CG2-CG1 3.75Å; G431-I531 WeakPolarHBondContact O-CG2 3.32Å; I432-I531 HydrophobicContact CD1-CG2 4.14Å; F516-I531 HydrophobicContact CD2-CD1 3.85Å; F516-I531 HydrophobicContact CE2-CD1 3.77Å; F516-I531 HydrophobicContact CZ-CD1 4.44Å; P529-I531 PolarHBondContact O-N 3.49Å; I531-I545 HydrophobicContact CD1-CG2 3.56Å; I531-I545 HydrophobicContact CG1-CG2 3.54Å
532	F	95.5	Very high	91	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.145	22%	0.218	C	C	.	.			trans	-139	-108.4	175	-158.3	-94.3	0	0	0	112.5	L418 Y419 T430 P529 A546 P548 Y578 F579	L418-F532 HydrophobicContact CB-CD2 3.99Å; L418-F532 HydrophobicContact CB-CE2 4.04Å; L418-F532 HydrophobicContact CD1-CD2 4.19Å; Y419-F532 WeakPolarHBondContact CB-O 3.11Å; Y419-F532 HydrophobicContact CD2-CE1 4.27Å; T430-F532 WeakPolarHBondContact CB-O 3.11Å; T430-F532 WeakPolarHBondContact CG2-O 3.15Å; T430-F532 PolarHBondContact OG1-O 3.26Å; P529-F532 HydrophobicContact CG-CB 4.4Å; P529-F532 HydrophobicContact CG-CD2 3.8Å; P529-F532 HydrophobicContact CG-CG 4.48Å; F532-A546 PolarHBondContact N-O 3.01Å; F532-P548 HydrophobicContact CB-CG 3.77Å; F532-Y578 HydrophobicContact CB-CD1 4.42Å; F532-Y578 AromaticContact CD1-CD1 3.5Å; F532-Y578 HydrophobicContact CD1-CD1 3.5Å; F532-Y578 VanDerWaalsContact CD1-CD1 3.5Å; F532-Y578 HydrophobicContact CD1-CE1 4.31Å; F532-Y578 HydrophobicContact CD1-CG 4.22Å; F532-Y578 HydrophobicContact CD2-CD1 4.07Å; F532-Y578 HydrophobicContact CD2-CE1 4.06Å; F532-Y578 AromaticContact CE1-CD1 3.7Å; F532-Y578 HydrophobicContact CE1-CD1 3.7Å; F532-Y578 HydrophobicContact CE1-CE1 4.45Å; F532-Y578 HydrophobicContact CE2-CD1 4.24Å; F532-Y578 HydrophobicContact CE2-CE1 4.21Å; F532-Y578 AromaticContact CG-CD1 3.71Å; F532-Y578 HydrophobicContact CG-CD1 3.71Å; F532-Y578 HydrophobicContact CG-CE1 4.12Å; F532-Y578 HydrophobicContact CZ-CD1 4.07Å; F532-Y578 HydrophobicContact CZ-CE1 4.41Å; F532-F579 HydrophobicContact CD1-CE1 4.45Å; F532-F579 HydrophobicContact CE1-CD1 4.16Å; F532-F579 AromaticContact CE1-CE1 3.61Å; F532-F579 HydrophobicContact CE1-CE1 3.61Å; F532-F579 AromaticContact CE1-CZ 3.96Å; F532-F579 HydrophobicContact CE1-CZ 3.96Å; F532-F579 HydrophobicContact CZ-CE1 4.49Å
533	G	94.1	Very high	91.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.			trans	-74.6	153.9	-171.6	0	0	0	0	0	113.6	A546 Y578	G533-A546 WeakPolarHBondContact O-CB 3.23Å; G533-A546 PolarHBondContact O-N 3.29Å; G533-Y578 WeakPolarHBondContact CA-O 3.43Å; G533-Y578 PolarHBondContact N-O 3.17Å
534	I	96.3	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154	174.5	71.1	-174.2	0	0	0	111.3	Y419 R421 T430 L460 I543 Y544 I545	Y419-I534 HydrophobicContact CD1-CG1 4.12Å; Y419-I534 HydrophobicContact CE1-CG1 4.31Å; Y419-I534 WeakPolarHBondContact CE1-O 3.49Å; R421-I534 HydrophobicContact CB-CD1 4.18Å; R421-I534 HydrophobicContact CB-CG1 4.13Å; R421-I534 HydrophobicContact CG-CD1 4.18Å; R421-I534 HydrophobicContact CG-CG1 3.59Å; R421-I534 WeakPolarHBondContact CG-O 3.16Å; R421-I534 PolarHBondContact NE-O 3.15Å; T430-I534 HydrophobicContact CG2-CG2 3.41Å; T430-I534 VanDerWaalsContact CG2-CG2 3.41Å; L460-I534 HydrophobicContact CD1-CD1 3.73Å; L460-I534 HydrophobicContact CD1-CG2 4.21Å; I534-I543 HydrophobicContact CB-CG2 4.18Å; I534-I543 HydrophobicContact CD1-CG2 4.48Å; I534-Y544 WeakPolarHBondContact CA-O 3.22Å; I534-I545 HydrophobicContact CG2-CB 4.34Å; I534-I545 HydrophobicContact CG2-CG1 3.94Å; I534-I545 HydrophobicContact CG2-CG2 4.27Å
535	D	95.2	Very high	92.2	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.048	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155	165.9	-153.1	52	0	0	0	109.4	R421 Y544 L580 C581 L582	R421-D535 IonicContact CZ-OD1 3.15Å; R421-D535 IonicContact NE-OD1 2.86Å; R421-D535 IonicContact NH2-OD1 3.71Å; R421-D535 PolarHBondContact NH2-OD1 2.89Å; D535-Y544 PolarHBondContact N-O 2.98Å; D535-Y544 VanDerWaalsContact N-O 3.07Å; D535-Y544 PolarHBondContact O-N 2.89Å; D535-L580 HydrophobicContact CB-CD1 3.5Å; D535-L580 VanDerWaalsContact CB-CD1 3.5Å; D535-L580 WeakPolarHBondContact CB-O 3.41Å; D535-C581 VanDerWaalsContact OD2-CA 3.26Å; D535-C581 WeakPolarHBondContact OD2-CA 3.44Å; D535-L582 PolarHBondContact OD2-N 3.47Å
536	I	93	Very high	92.7	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.7	-164.1	-57.3	167	0	0	0	108.7	R421 H423 Y428 H538 I543	R421-I536 HydrophobicContact CB-CD1 4.12Å; H423-I536 HydrophobicContact CB-CD1 3.73Å; H423-I536 HydrophobicContact CB-CG2 4.45Å; H423-I536 VanDerWaalsContact CD2-CG2 3.42Å; H423-I536 WeakPolarHBondContact CD2-CG2 3.34Å; Y428-I536 HydrophobicContact CD2-CD1 3.39Å; Y428-I536 HydrophobicContact CE2-CD1 3.92Å; Y428-I536 HydrophobicContact CG-CD1 4.04Å; I536-H538 PolarHBondContact O-CD2 2.93Å; I536-H538 PolarHBondContact O-N 2.93Å; I536-I543 HydrophobicContact CG1-CG1 4.37Å; I536-I543 HydrophobicContact CG1-CG2 4.29Å
537	D	91.2	Very high	93.1	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	13%	0.132	C	C	.	.			trans	-69.8	101	175.1	-178.3	-18.7	0	0	0	109.9	T539 N540 G541 D542 Y544 L582	D537-T539 PolarHBondContact O-N 3.24Å; D537-T539 WeakPolarHBondContact OD1-CB 3.31Å; D537-T539 PolarHBondContact OD1-N 2.8Å; D537-T539 PolarHBondContact OD1-OG1 3.44Å; D537-N540 VanDerWaalsContact CB-OD1 3.25Å; D537-N540 WeakPolarHBondContact CB-OD1 3.32Å; D537-N540 VanDerWaalsContact CG-ND2 3.31Å; D537-N540 VanDerWaalsContact CG-OD1 3.31Å; D537-N540 PolarHBondContact O-N 2.96Å; D537-N540 VanDerWaalsContact O-N 3.16Å; D537-N540 PolarHBondContact OD2-ND2 2.83Å; D537-N540 PolarHBondContact OD2-OD1 3.43Å; D537-G541 WeakPolarHBondContact O-CA 3.44Å; D537-G541 PolarHBondContact O-N 2.88Å; D537-D542 PolarHBondContact N-O 3.24Å; D537-Y544 HydrophobicContact CB-CE2 4.37Å; D537-L582 HydrophobicContact CB-CD2 3.5Å; D537-L582 VanDerWaalsContact CB-CD2 3.5Å
538	H	83.3	Confident	93.4	Very high	86 Å²	86	18 Å²	18	40%	0.398	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	0.3	179.6	-64.8	-67.5	0	0	0	115.7	H423 I536 Y679	H423-H538 AromaticContact CD2-CE1 3.74Å; H423-H538 AromaticContact CD2-ND1 3.34Å; H423-H538 PolarHBondContact CD2-ND1 3.42Å; H423-H538 VanDerWaalsContact CD2-ND1 3.34Å; H423-H538 AromaticContact NE2-ND1 3.53Å; I536-H538 PolarHBondContact O-CD2 2.93Å; I536-H538 PolarHBondContact O-N 2.93Å; H538-Y679 AromaticContact CD2-CE2 3.85Å; H538-Y679 AromaticContact CD2-CZ 3.62Å; H538-Y679 AromaticContact CE1-CE2 3.67Å; H538-Y679 AromaticContact NE2-CD2 3.9Å; H538-Y679 AromaticContact NE2-CE2 3.11Å; H538-Y679 WeakPolarHBondContact NE2-CE2 3.28Å; H538-Y679 AromaticContact NE2-CZ 3.33Å; H538-Y679 VanDerWaalsContact NE2-CZ 3.33Å; H538-Y679 PolarHBondContact NE2-OH 2.97Å
539	T	83.5	Confident	93.6	Very high	87 Å²	87	17.4 Å²	17.4	53%	0.534	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-30.9	172.7	63.9	0	0	0	0	115.4	D537 K584	D537-T539 PolarHBondContact O-N 3.24Å; D537-T539 WeakPolarHBondContact OD1-CB 3.31Å; D537-T539 PolarHBondContact OD1-N 2.8Å; D537-T539 PolarHBondContact OD1-OG1 3.44Å; T539-K584 HydrophobicContact CG2-CD 4.1Å; T539-K584 VanDerWaalsContact CG2-CE 3.46Å
540	N	88.2	Confident	93.7	Very high	71 Å²	71	16.5 Å²	16.5	38%	0.38	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	-12.9	-174.2	53.7	42.7	0	0	0	112.8	D537 D542 S558	D537-N540 VanDerWaalsContact CB-OD1 3.25Å; D537-N540 WeakPolarHBondContact CB-OD1 3.32Å; D537-N540 VanDerWaalsContact CG-ND2 3.31Å; D537-N540 VanDerWaalsContact CG-OD1 3.31Å; D537-N540 PolarHBondContact O-N 2.96Å; D537-N540 VanDerWaalsContact O-N 3.16Å; D537-N540 PolarHBondContact OD2-ND2 2.83Å; D537-N540 PolarHBondContact OD2-OD1 3.43Å; N540-D542 VanDerWaalsContact OD1-CB 3.26Å; N540-D542 WeakPolarHBondContact OD1-CB 3.48Å; N540-D542 PolarHBondContact OD1-N 3.41Å; N540-S558 WeakPolarHBondContact O-CB 3.29Å; N540-S558 PolarHBondContact O-OG 2.94Å
541	G	89.6	Confident	93.7	Very high	8 Å²	8	16.5 Å²	16.5	8%	0.082	9%	0.088	C	C	.	.			trans	81.5	4.6	-178.1	0	0	0	0	0	114.7	D537 I543 S558	D537-G541 WeakPolarHBondContact O-CA 3.44Å; D537-G541 PolarHBondContact O-N 2.88Å; G541-I543 WeakPolarHBondContact O-CG1 3.42Å; G541-S558 VanDerWaalsContact C-CB 3.47Å; G541-S558 WeakPolarHBondContact O-CB 3.42Å
542	D	94	Very high	93.7	Very high	14 Å²	14	17.1 Å²	17.1	8%	0.075	9%	0.091	C	C	.	.			trans	-65.4	141.6	-178.4	-76.8	5.1	0	0	0	110.6	D537 N540 R555 K557 S558	D537-D542 PolarHBondContact N-O 3.24Å; N540-D542 VanDerWaalsContact OD1-CB 3.26Å; N540-D542 WeakPolarHBondContact OD1-CB 3.48Å; N540-D542 PolarHBondContact OD1-N 3.41Å; D542-R555 HydrophobicContact CB-CG 4.19Å; D542-R555 IonicContact OD2-NE 2.83Å; D542-K557 VanDerWaalsContact OD1-CA 3.3Å; D542-K557 WeakPolarHBondContact OD1-CA 3.25Å; D542-S558 PolarHBondContact OD1-N 3.34Å
543	I	96.3	Very high	93.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.4	-165.1	-48.8	-179.5	0	0	0	109	Y428 L460 I534 I536 G541 I545 R555 L556 L561	Y428-I543 HydrophobicContact CD1-CD1 3.57Å; Y428-I543 HydrophobicContact CE1-CD1 3.25Å; Y428-I543 HydrophobicContact CE2-CD1 4.38Å; Y428-I543 HydrophobicContact CG-CD1 4.25Å; L460-I543 HydrophobicContact CD2-CD1 3.76Å; L460-I543 HydrophobicContact CD2-CG2 4.28Å; I534-I543 HydrophobicContact CB-CG2 4.18Å; I534-I543 HydrophobicContact CD1-CG2 4.48Å; I536-I543 HydrophobicContact CG1-CG1 4.37Å; I536-I543 HydrophobicContact CG1-CG2 4.29Å; G541-I543 WeakPolarHBondContact O-CG1 3.42Å; I543-I545 HydrophobicContact CG2-CD1 4.39Å; I543-I545 HydrophobicContact CG2-CG1 3.95Å; I543-R555 WeakPolarHBondContact O-CA 3.5Å; I543-L556 PolarHBondContact N-O 2.88Å; I543-L556 PolarHBondContact O-N 3.16Å; I543-L561 HydrophobicContact CD1-CD2 3.65Å
544	Y	97.3	Very high	94	Very high	6 Å²	6	15.5 Å²	15.5	2%	0.024	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.1	174	-66.9	-98.1	0	0	0	108.8	I534 D535 D537 C554 R555 W568 L582 V589 I604	I534-Y544 WeakPolarHBondContact CA-O 3.22Å; D535-Y544 PolarHBondContact N-O 2.98Å; D535-Y544 VanDerWaalsContact N-O 3.07Å; D535-Y544 PolarHBondContact O-N 2.89Å; D537-Y544 HydrophobicContact CB-CE2 4.37Å; Y544-C554 WeakPolarHBondContact CA-O 3.28Å; Y544-R555 HydrophobicContact CD1-CB 4.44Å; Y544-R555 HydrophobicContact CE1-CB 4.36Å; Y544-R555 HydrophobicContact CE1-CG 4.43Å; Y544-R555 PolarHBondContact OH-NH1 3.24Å; Y544-W568 HydrophobicContact CD1-CH2 4.27Å; Y544-W568 HydrophobicContact CD1-CZ3 4.03Å; Y544-W568 AromaticContact CE1-CH2 3.73Å; Y544-W568 HydrophobicContact CE1-CH2 3.73Å; Y544-W568 AromaticContact CE1-CZ3 3.98Å; Y544-W568 HydrophobicContact CE1-CZ3 3.98Å; Y544-L582 HydrophobicContact CD2-CD2 4.44Å; Y544-L582 HydrophobicContact CE2-CD1 4.29Å; Y544-L582 HydrophobicContact CE2-CD2 3.9Å; Y544-V589 HydrophobicContact CD1-CG2 3.57Å; Y544-V589 HydrophobicContact CE1-CG2 3.77Å; Y544-V589 HydrophobicContact CG-CG2 4.25Å; Y544-I604 HydrophobicContact CE1-CD1 4.17Å
545	I	97.8	Very high	94	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.2	-168.9	-57.4	-177.2	0	0	0	110.1	L460 F516 I531 I534 I543 I553 C554 L556	L460-I545 HydrophobicContact CB-CD1 4.49Å; L460-I545 HydrophobicContact CD2-CD1 4.15Å; F516-I545 HydrophobicContact CE2-CD1 4.45Å; F516-I545 HydrophobicContact CZ-CD1 3.94Å; I531-I545 HydrophobicContact CD1-CG2 3.56Å; I531-I545 HydrophobicContact CG1-CG2 3.54Å; I534-I545 HydrophobicContact CG2-CB 4.34Å; I534-I545 HydrophobicContact CG2-CG1 3.94Å; I534-I545 HydrophobicContact CG2-CG2 4.27Å; I543-I545 HydrophobicContact CG2-CD1 4.39Å; I543-I545 HydrophobicContact CG2-CG1 3.95Å; I545-I553 VanDerWaalsContact O-CA 3.3Å; I545-I553 WeakPolarHBondContact O-CA 3.24Å; I545-C554 PolarHBondContact N-O 2.93Å; I545-C554 PolarHBondContact O-N 3.14Å; I545-L556 HydrophobicContact CD1-CD1 3.53Å; I545-L556 HydrophobicContact CD1-CG 3.67Å
546	A	97.8	Very high	94	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.9	171.1	0	0	0	0	0	111.4	F532 G533 P577 Y578 L580	F532-A546 PolarHBondContact N-O 3.01Å; G533-A546 WeakPolarHBondContact O-CB 3.23Å; G533-A546 PolarHBondContact O-N 3.29Å; A546-P577 HydrophobicContact CB-CB 4.1Å; A546-P577 HydrophobicContact CB-CG 4.32Å; A546-P577 WeakPolarHBondContact CB-O 3.47Å; A546-Y578 WeakPolarHBondContact CB-O 3.45Å; A546-L580 HydrophobicContact CB-CD2 4.02Å
547	Q	97.1	Very high	94.1	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.037	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	84.4	171.1	-64.8	178.9	55.5	0	0	109.5	F516 I530 A549 N550 A551 M552 C554	F516-Q547 HydrophobicContact CD1-CG 4.47Å; I530-Q547 VanDerWaalsContact O-CA 3.25Å; I530-Q547 WeakPolarHBondContact O-CA 3.1Å; I530-Q547 WeakPolarHBondContact O-CB 3.2Å; I530-Q547 WeakPolarHBondContact O-CG 3.5Å; Q547-A549 PolarHBondContact O-N 3.13Å; Q547-N550 HydrophobicContact CB-CB 4.15Å; Q547-N550 PolarHBondContact O-N 3.3Å; Q547-N550 PolarHBondContact OE1-ND2 3.4Å; Q547-A551 PolarHBondContact O-N 3.25Å; Q547-M552 HydrophobicContact CB-CG 3.72Å; Q547-M552 HydrophobicContact CG-CG 4.24Å; Q547-M552 PolarHBondContact N-O 3.27Å; Q547-M552 PolarHBondContact O-N 3.2Å; Q547-C554 PolarHBondContact NE2-SG 3.36Å
548	P	96.6	Very high	93.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-36.3	-173.2	10.5	-17.4	0	0	0	113.9	Q528 P529 F532 A551 P577 Y578	Q528-P548 HydrophobicContact CB-CB 4.47Å; P529-P548 HydrophobicContact CG-CG 3.92Å; P529-P548 WeakPolarHBondContact O-CD 3.25Å; P529-P548 WeakPolarHBondContact O-CG 3.4Å; F532-P548 HydrophobicContact CB-CG 3.77Å; P548-A551 PolarHBondContact O-N 3.11Å; P548-P577 VanDerWaalsContact CB-O 3.22Å; P548-P577 WeakPolarHBondContact CB-O 3.25Å; P548-P577 VanDerWaalsContact CD-O 3.28Å; P548-P577 WeakPolarHBondContact CD-O 3.25Å; P548-P577 VanDerWaalsContact CG-O 3.3Å; P548-P577 WeakPolarHBondContact CG-O 3.14Å; P548-Y578 HydrophobicContact CB-CD2 3.97Å; P548-Y578 HydrophobicContact CB-CE2 3.7Å; P548-Y578 HydrophobicContact CG-CD2 4.3Å; P548-Y578 HydrophobicContact CG-CE2 4.14Å
549	A	94.7	Very high	94.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-49.3	174.8	0	0	0	0	0	112.3	V521 G522 R525 Q528 P529 Q547 A551	V521-A549 CarbonylContact C-O 3.21Å; G522-A549 VanDerWaalsContact CA-O 3.31Å; G522-A549 WeakPolarHBondContact CA-O 3.48Å; G522-A549 PolarHBondContact N-O 2.84Å; R525-A549 WeakPolarHBondContact CD-O 3.37Å; Q528-A549 HydrophobicContact CB-CB 3.92Å; P529-A549 VanDerWaalsContact O-CB 3.32Å; P529-A549 WeakPolarHBondContact O-CB 3.29Å; P529-A549 PolarHBondContact O-N 3.24Å; Q547-A549 PolarHBondContact O-N 3.13Å; A549-A551 PolarHBondContact O-N 3.49Å
550	N	95.3	Very high	94.6	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	7.6	-176	-62.9	-18.6	0	0	0	113.3	Y517 R518 D519 G522 Q547 M552	Y517-N550 PolarHBondContact O-ND2 3.3Å; R518-N550 WeakPolarHBondContact CA-OD1 3.34Å; D519-N550 PolarHBondContact N-OD1 3.14Å; D519-N550 PolarHBondContact OD1-OD1 2.95Å; G522-N550 WeakPolarHBondContact CA-OD1 3.13Å; Q547-N550 HydrophobicContact CB-CB 4.15Å; Q547-N550 PolarHBondContact O-N 3.3Å; Q547-N550 PolarHBondContact OE1-ND2 3.4Å; N550-M552 VanDerWaalsContact C-N 3.3Å; N550-M552 HydrophobicContact CB-CE 3.93Å; N550-M552 HydrophobicContact CB-CG 3.86Å; N550-M552 HydrophobicContact CB-SD 4.09Å; N550-M552 PolarHBondContact O-N 2.86Å
551	A	96.2	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	49.2	-176.1	0	0	0	0	0	113.3	V521 Q547 P548 A549 L570 Q574 L575	V521-A551 HydrophobicContact CG1-CB 3.81Å; Q547-A551 PolarHBondContact O-N 3.25Å; P548-A551 PolarHBondContact O-N 3.11Å; A549-A551 PolarHBondContact O-N 3.49Å; A551-L570 WeakPolarHBondContact O-CA 3.28Å; A551-L570 VanDerWaalsContact O-CB 3.29Å; A551-L570 WeakPolarHBondContact O-CB 3.28Å; A551-L570 PolarHBondContact O-N 3.15Å; A551-Q574 HydrophobicContact CB-CG 4Å; A551-L575 VanDerWaalsContact CA-O 3.25Å; A551-L575 WeakPolarHBondContact CA-O 3.39Å; A551-L575 VanDerWaalsContact CB-O 3.29Å; A551-L575 WeakPolarHBondContact CB-O 3.38Å
552	M	95.8	Very high	95	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.064	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	160.4	-175.9	66.9	176.1	56.9	0	0	114.2	Q547 N550 T567 W568 Y569 P577	Q547-M552 HydrophobicContact CB-CG 3.72Å; Q547-M552 HydrophobicContact CG-CG 4.24Å; Q547-M552 PolarHBondContact N-O 3.27Å; Q547-M552 PolarHBondContact O-N 3.2Å; N550-M552 VanDerWaalsContact C-N 3.3Å; N550-M552 HydrophobicContact CB-CE 3.93Å; N550-M552 HydrophobicContact CB-CG 3.86Å; N550-M552 HydrophobicContact CB-SD 4.09Å; N550-M552 PolarHBondContact O-N 2.86Å; M552-T567 HydrophobicContact CB-CG2 4.3Å; M552-T567 HydrophobicContact CE-CG2 4.19Å; M552-T567 HydrophobicContact CG-CG2 4.45Å; M552-T567 HydrophobicContact SD-CG2 3.63Å; M552-W568 VanDerWaalsContact CA-O 3.24Å; M552-W568 WeakPolarHBondContact CA-O 3.48Å; M552-W568 VanDerWaalsContact CB-O 3.25Å; M552-W568 WeakPolarHBondContact CB-O 3.11Å; M552-Y569 HydrophobicContact CE-CD1 3.59Å; M552-Y569 HydrophobicContact CE-CE1 3.29Å; M552-Y569 HydrophobicContact CE-CG 4.5Å; M552-P577 WeakPolarHBondContact O-CG 3.44Å
553	I	97.3	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143.2	163.7	-65.5	169.5	0	0	0	107.5	I545 T567 W568 L570 P577 L580 V589 A591 L600 L602	I545-I553 VanDerWaalsContact O-CA 3.3Å; I545-I553 WeakPolarHBondContact O-CA 3.24Å; I553-T567 WeakPolarHBondContact O-CA 3.35Å; I553-W568 HydrophobicContact CB-CE3 4.36Å; I553-W568 HydrophobicContact CG2-CE3 4.02Å; I553-W568 HydrophobicContact CG2-CZ3 4.36Å; I553-W568 PolarHBondContact N-O 3.31Å; I553-W568 PolarHBondContact O-N 3.23Å; I553-L570 HydrophobicContact CD1-CD1 4.26Å; I553-L570 HydrophobicContact CG1-CD1 4.13Å; I553-P577 HydrophobicContact CD1-CB 4.39Å; I553-P577 HydrophobicContact CG1-CB 4.16Å; I553-P577 HydrophobicContact CG1-CG 4.08Å; I553-L580 HydrophobicContact CD1-CD2 4.23Å; I553-L580 HydrophobicContact CG1-CD2 4.2Å; I553-L580 HydrophobicContact CG2-CD2 4.05Å; I553-V589 HydrophobicContact CD1-CG1 4.24Å; I553-A591 HydrophobicContact CD1-CB 4.04Å; I553-L600 HydrophobicContact CD1-CD1 4.18Å; I553-L602 HydrophobicContact CB-CD2 4.3Å; I553-L602 HydrophobicContact CD1-CD2 4.09Å; I553-L602 HydrophobicContact CG2-CD2 4.4Å
554	C	96.6	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.1	170	72	0	0	0	0	112.4	Y544 I545 Q547 I564 R566 T567	Y544-C554 WeakPolarHBondContact CA-O 3.28Å; I545-C554 PolarHBondContact N-O 2.93Å; I545-C554 PolarHBondContact O-N 3.14Å; Q547-C554 PolarHBondContact NE2-SG 3.36Å; C554-I564 HydrophobicContact CB-CG2 3.93Å; C554-R566 CarbonylContact C-O 3.55Å; C554-R566 VanDerWaalsContact CA-O 3.24Å; C554-R566 WeakPolarHBondContact CA-O 3.33Å; C554-R566 WeakPolarHBondContact CB-O 3.29Å; C554-T567 HydrophobicContact CB-CG2 4.44Å
555	R	96.7	Very high	94.6	Very high	42 Å²	42	37.7 Å²	37.7	16%	0.158	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130	173.3	-176.5	171.4	71.2	-169.8	7.6	110.8	D542 I543 Y544 D565 R566 W568	D542-R555 HydrophobicContact CB-CG 4.19Å; D542-R555 IonicContact OD2-NE 2.83Å; I543-R555 WeakPolarHBondContact O-CA 3.5Å; Y544-R555 HydrophobicContact CD1-CB 4.44Å; Y544-R555 HydrophobicContact CE1-CB 4.36Å; Y544-R555 HydrophobicContact CE1-CG 4.43Å; Y544-R555 PolarHBondContact OH-NH1 3.24Å; R555-D565 IonicContact CZ-OD2 2.81Å; R555-D565 IonicContact NE-OD2 3.68Å; R555-D565 PolarHBondContact NE-OD2 3.23Å; R555-D565 VanDerWaalsContact NE-OD2 3.12Å; R555-D565 IonicContact NH2-OD2 3.7Å; R555-D565 PolarHBondContact NH2-OD2 3.35Å; R555-D565 PolarHBondContact O-N 3.4Å; R555-R566 HydrophobicContact CB-CB 4.49Å; R555-R566 PolarHBondContact N-O 3.32Å; R555-W568 HydrophobicContact CB-CH2 4.21Å; R555-W568 HydrophobicContact CB-CZ3 4.06Å
556	L	96.7	Very high	94.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	152.8	161.3	-54	-175.2	0	0	0	109.4	L460 F516 I543 I545 L561 I564	L460-L556 HydrophobicContact CD2-CD1 3.76Å; F516-L556 HydrophobicContact CZ-CD1 4.43Å; F516-L556 HydrophobicContact CZ-CD2 4.44Å; I543-L556 PolarHBondContact N-O 2.88Å; I543-L556 PolarHBondContact O-N 3.16Å; I545-L556 HydrophobicContact CD1-CD1 3.53Å; I545-L556 HydrophobicContact CD1-CG 3.67Å; L556-L561 HydrophobicContact CB-CD2 4.36Å; L556-L561 HydrophobicContact CD1-CB 4.41Å; L556-L561 HydrophobicContact CD1-CD2 4.41Å; L556-I564 HydrophobicContact CD2-CB 4.33Å; L556-I564 HydrophobicContact CD2-CG1 3.77Å
557	K	94	Very high	94.2	Very high	77 Å²	77	42.7 Å²	42.7	34%	0.335	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	144.1	175.4	-86.8	173.7	166.7	154.8	0	111.8	D542 N559 D560 D565	D542-K557 VanDerWaalsContact OD1-CA 3.3Å; D542-K557 WeakPolarHBondContact OD1-CA 3.25Å; K557-N559 WeakPolarHBondContact CB-OD1 3.24Å; K557-N559 PolarHBondContact O-N 3.35Å; K557-N559 VanDerWaalsContact O-N 3.08Å; K557-D560 CarbonylContact O-C 3.54Å; K557-D560 VanDerWaalsContact O-C 3.24Å; K557-D560 PolarHBondContact O-N 3.38Å; K557-D565 HydrophobicContact CD-CB 4.24Å; K557-D565 VanDerWaalsContact CE-CG 3.43Å; K557-D565 VanDerWaalsContact CE-OD1 3.23Å; K557-D565 WeakPolarHBondContact CE-OD1 3.26Å; K557-D565 WeakPolarHBondContact CE-OD2 3.34Å; K557-D565 HydrophobicContact CG-CB 4.14Å; K557-D565 VanDerWaalsContact NZ-CG 3.34Å; K557-D565 IonicContact NZ-OD1 3.88Å; K557-D565 PolarHBondContact NZ-OD1 2.8Å; K557-D565 IonicContact NZ-OD2 3.79Å
558	S	87.9	Confident	94.2	Very high	54 Å²	54	42.7 Å²	42.7	38%	0.378	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.3	-179.2	64.5	0	0	0	0	114.5	N540 G541 D542	N540-S558 WeakPolarHBondContact O-CB 3.29Å; N540-S558 PolarHBondContact O-OG 2.94Å; G541-S558 VanDerWaalsContact C-CB 3.47Å; G541-S558 WeakPolarHBondContact O-CB 3.42Å; D542-S558 PolarHBondContact OD1-N 3.34Å
559	N	89.2	Confident	94.1	Very high	138 Å²	138	46 Å²	46	74%	0.738	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-4.5	-179.6	68	-12.3	0	0	0	114.7	K557	K557-N559 WeakPolarHBondContact CB-OD1 3.24Å; K557-N559 PolarHBondContact O-N 3.35Å; K557-N559 VanDerWaalsContact O-N 3.08Å
560	D	92	Very high	94	Very high	57 Å²	57	46 Å²	46	31%	0.305	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	89.9	177.6	-177.7	4.3	0	0	0	110.2	K557 T562 R563	K557-D560 CarbonylContact O-C 3.54Å; K557-D560 VanDerWaalsContact O-C 3.24Å; K557-D560 PolarHBondContact O-N 3.38Å; D560-T562 PolarHBondContact O-N 2.73Å; D560-T562 WeakPolarHBondContact OD1-CA 3.42Å; D560-T562 WeakPolarHBondContact OD1-CB 3.45Å; D560-T562 PolarHBondContact OD1-N 2.75Å; D560-T562 PolarHBondContact OD1-OG1 3.01Å; D560-R563 PolarHBondContact OD1-N 3.38Å; D560-R563 VanDerWaalsContact OD2-CB 3.26Å; D560-R563 WeakPolarHBondContact OD2-CB 3.49Å
561	L	93.2	Very high	93.6	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.068	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-17	173.6	-57.1	-174.1	0	0	0	112.6	Y428 L460 C462 A511 S513 I543 L556 R563	Y428-L561 HydrophobicContact CE1-CD1 4.19Å; L460-L561 HydrophobicContact CD2-CD1 4.44Å; L460-L561 HydrophobicContact CD2-CD2 4.34Å; C462-L561 HydrophobicContact CB-CD1 4.1Å; A511-L561 HydrophobicContact CB-CD1 3.8Å; S513-L561 VanDerWaalsContact CA-O 3.24Å; S513-L561 WeakPolarHBondContact CA-O 3.32Å; S513-L561 WeakPolarHBondContact CB-O 3.34Å; I543-L561 HydrophobicContact CD1-CD2 3.65Å; L556-L561 HydrophobicContact CB-CD2 4.36Å; L556-L561 HydrophobicContact CD1-CB 4.41Å; L556-L561 HydrophobicContact CD1-CD2 4.41Å; L561-R563 PolarHBondContact O-N 2.67Å
562	T	92.3	Very high	93	Very high	85 Å²	85	50.9 Å²	50.9	52%	0.521	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-23.6	-176.5	76.6	0	0	0	0	111.8	S514 D560	S514-T562 WeakPolarHBondContact CB-O 3.36Å; S514-T562 PolarHBondContact OG-O 2.76Å; D560-T562 PolarHBondContact O-N 2.73Å; D560-T562 WeakPolarHBondContact OD1-CA 3.42Å; D560-T562 WeakPolarHBondContact OD1-CB 3.45Å; D560-T562 PolarHBondContact OD1-N 2.75Å; D560-T562 PolarHBondContact OD1-OG1 3.01Å
563	R	91.6	Very high	92.7	Very high	171 Å²	171	52.8 Å²	52.8	65%	0.645	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.6	-173.1	-176.7	175.4	174.5	173.1	-0.7	113	D560 L561 D565	D560-R563 PolarHBondContact OD1-N 3.38Å; D560-R563 VanDerWaalsContact OD2-CB 3.26Å; D560-R563 WeakPolarHBondContact OD2-CB 3.49Å; L561-R563 PolarHBondContact O-N 2.67Å; R563-D565 PolarHBondContact O-N 2.77Å
564	I	93.7	Very high	92.5	Very high	74 Å²	74	55.9 Å²	55.9	38%	0.379	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.8	165.4	-58.9	171.5	0	0	0	109.4	F516 C554 L556 R566 T567	F516-I564 HydrophobicContact CE1-CD1 3.98Å; F516-I564 HydrophobicContact CE1-CG1 4.4Å; C554-I564 HydrophobicContact CB-CG2 3.93Å; L556-I564 HydrophobicContact CD2-CB 4.33Å; L556-I564 HydrophobicContact CD2-CG1 3.77Å; I564-R566 WeakPolarHBondContact CG2-O 3.36Å; I564-T567 WeakPolarHBondContact CG2-OG1 3.38Å
565	D	93.6	Very high	92.5	Very high	55 Å²	55	56 Å²	56	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-38.2	-179.6	-176	65.2	0	0	0	112.1	R555 K557 R563	R555-D565 IonicContact CZ-OD2 2.81Å; R555-D565 IonicContact NE-OD2 3.68Å; R555-D565 PolarHBondContact NE-OD2 3.23Å; R555-D565 VanDerWaalsContact NE-OD2 3.12Å; R555-D565 IonicContact NH2-OD2 3.7Å; R555-D565 PolarHBondContact NH2-OD2 3.35Å; R555-D565 PolarHBondContact O-N 3.4Å; K557-D565 HydrophobicContact CD-CB 4.24Å; K557-D565 VanDerWaalsContact CE-CG 3.43Å; K557-D565 VanDerWaalsContact CE-OD1 3.23Å; K557-D565 WeakPolarHBondContact CE-OD1 3.26Å; K557-D565 WeakPolarHBondContact CE-OD2 3.34Å; K557-D565 HydrophobicContact CG-CB 4.14Å; K557-D565 VanDerWaalsContact NZ-CG 3.34Å; K557-D565 IonicContact NZ-OD1 3.88Å; K557-D565 PolarHBondContact NZ-OD1 2.8Å; K557-D565 IonicContact NZ-OD2 3.79Å; R563-D565 PolarHBondContact O-N 2.77Å
566	R	94	Very high	92.5	Very high	67 Å²	67	54 Å²	54	25%	0.253	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	150.5	178.4	-159.9	162.9	178.4	-167.1	10.1	110.9	C554 R555 I564 W568 I604 D607	C554-R566 CarbonylContact C-O 3.55Å; C554-R566 VanDerWaalsContact CA-O 3.24Å; C554-R566 WeakPolarHBondContact CA-O 3.33Å; C554-R566 WeakPolarHBondContact CB-O 3.29Å; R555-R566 HydrophobicContact CB-CB 4.49Å; R555-R566 PolarHBondContact N-O 3.32Å; I564-R566 WeakPolarHBondContact CG2-O 3.36Å; R566-W568 HydrophobicContact CB-CH2 4.01Å; R566-W568 HydrophobicContact CB-CZ2 4.21Å; R566-W568 HydrophobicContact CB-CZ3 4.38Å; R566-W568 HydrophobicContact CG-CH2 4.01Å; R566-W568 HydrophobicContact CG-CZ2 3.67Å; R566-I604 PolarHBondContact NH1-O 2.88Å; R566-I604 PolarHBondContact NH2-O 3.23Å; R566-D607 IonicContact CZ-OD1 3.72Å; R566-D607 IonicContact CZ-OD2 2.78Å; R566-D607 IonicContact NE-OD1 3.94Å; R566-D607 PolarHBondContact NE-OD1 2.87Å; R566-D607 IonicContact NE-OD2 2.8Å; R566-D607 IonicContact NH2-OD1 2.73Å; R566-D607 PolarHBondContact NH2-OD1 3.47Å; R566-D607 IonicContact NH2-OD2 2.67Å; R566-D607 PolarHBondContact NH2-OD2 3.22Å
567	T	94.8	Very high	92.5	Very high	37 Å²	37	54 Å²	54	23%	0.227	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140	178.3	-54.9	0	0	0	0	109.4	M552 I553 C554 I564 Y569	M552-T567 HydrophobicContact CB-CG2 4.3Å; M552-T567 HydrophobicContact CE-CG2 4.19Å; M552-T567 HydrophobicContact CG-CG2 4.45Å; M552-T567 HydrophobicContact SD-CG2 3.63Å; I553-T567 WeakPolarHBondContact O-CA 3.35Å; C554-T567 HydrophobicContact CB-CG2 4.44Å; I564-T567 WeakPolarHBondContact CG2-OG1 3.38Å; T567-Y569 HydrophobicContact CG2-CD2 4.21Å; T567-Y569 HydrophobicContact CG2-CE2 3.82Å
568	W	96	Very high	92.6	Very high	9 Å²	9	52 Å²	52	3%	0.034	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	114.7	176.7	-61.1	-81.5	0	0	0	109.2	Y544 M552 I553 R555 R566 L602 I604 D607	Y544-W568 HydrophobicContact CD1-CH2 4.27Å; Y544-W568 HydrophobicContact CD1-CZ3 4.03Å; Y544-W568 AromaticContact CE1-CH2 3.73Å; Y544-W568 HydrophobicContact CE1-CH2 3.73Å; Y544-W568 AromaticContact CE1-CZ3 3.98Å; Y544-W568 HydrophobicContact CE1-CZ3 3.98Å; M552-W568 VanDerWaalsContact CA-O 3.24Å; M552-W568 WeakPolarHBondContact CA-O 3.48Å; M552-W568 VanDerWaalsContact CB-O 3.25Å; M552-W568 WeakPolarHBondContact CB-O 3.11Å; I553-W568 HydrophobicContact CB-CE3 4.36Å; I553-W568 HydrophobicContact CG2-CE3 4.02Å; I553-W568 HydrophobicContact CG2-CZ3 4.36Å; I553-W568 PolarHBondContact N-O 3.31Å; I553-W568 PolarHBondContact O-N 3.23Å; R555-W568 HydrophobicContact CB-CH2 4.21Å; R555-W568 HydrophobicContact CB-CZ3 4.06Å; R566-W568 HydrophobicContact CB-CH2 4.01Å; R566-W568 HydrophobicContact CB-CZ2 4.21Å; R566-W568 HydrophobicContact CB-CZ3 4.38Å; R566-W568 HydrophobicContact CG-CH2 4.01Å; R566-W568 HydrophobicContact CG-CZ2 3.67Å; W568-L602 HydrophobicContact CB-CD1 4.06Å; W568-L602 HydrophobicContact CB-CD2 3.81Å; W568-L602 HydrophobicContact CD2-CD2 3.68Å; W568-L602 HydrophobicContact CE3-CD2 3.96Å; W568-L602 HydrophobicContact CG-CD1 3.83Å; W568-L602 HydrophobicContact CG-CD2 3.64Å; W568-L602 HydrophobicContact CG-CG 4.3Å; W568-I604 HydrophobicContact CZ2-CG2 4.18Å; W568-D607 PolarHBondContact NE1-OD1 3.46Å
569	Y	94	Very high	92.9	Very high	70 Å²	70	51.2 Å²	51.2	28%	0.275	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.1	178.5	-61.7	-102.9	0	0	0	109.5	Q159 M552 T567	Q159-Y569 VanDerWaalsContact OE1-CD2 3.28Å; M552-Y569 HydrophobicContact CE-CD1 3.59Å; M552-Y569 HydrophobicContact CE-CE1 3.29Å; M552-Y569 HydrophobicContact CE-CG 4.5Å; T567-Y569 HydrophobicContact CG2-CD2 4.21Å; T567-Y569 HydrophobicContact CG2-CE2 3.82Å
570	L	93.5	Very high	93.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.216	C	C	.	.			trans	-113.5	58.3	-173.7	-53.4	169.3	0	0	0	109.3	A551 I553 P573 Q574 L575 P577 L600 Y609	A551-L570 WeakPolarHBondContact O-CA 3.28Å; A551-L570 VanDerWaalsContact O-CB 3.29Å; A551-L570 WeakPolarHBondContact O-CB 3.28Å; A551-L570 PolarHBondContact O-N 3.15Å; I553-L570 HydrophobicContact CD1-CD1 4.26Å; I553-L570 HydrophobicContact CG1-CD1 4.13Å; L570-P573 CarbonylContact C-O 3.6Å; L570-Q574 CarbonylContact O-C 3.6Å; L570-Q574 WeakPolarHBondContact O-CA 3.31Å; L570-L575 HydrophobicContact CB-CB 4.27Å; L570-L575 PolarHBondContact O-N 3.19Å; L570-P577 HydrophobicContact CD1-CB 4.25Å; L570-P577 HydrophobicContact CD1-CG 3.75Å; L570-L600 HydrophobicContact CD1-CD2 3.57Å; L570-L600 HydrophobicContact CD2-CD2 4.13Å; L570-L600 HydrophobicContact CG-CD2 4.41Å; L570-Y609 VanDerWaalsContact CA-OH 3.32Å; L570-Y609 WeakPolarHBondContact CA-OH 3.42Å; L570-Y609 HydrophobicContact CB-CE1 4.34Å; L570-Y609 HydrophobicContact CD2-CD1 3.58Å; L570-Y609 HydrophobicContact CD2-CD2 4.11Å; L570-Y609 HydrophobicContact CD2-CE1 3.72Å; L570-Y609 HydrophobicContact CD2-CE2 4.22Å; L570-Y609 HydrophobicContact CD2-CG 3.79Å
571	N	86.4	Confident	93.4	Very high	38 Å²	38	42 Å²	42	20%	0.203	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-93.8	-20.9	-170	-74	-32.5	0	0	0	115	P573 Q574 Y609	N571-P573 CarbonylContact C-O 3.55Å; N571-P573 CarbonylContact O-C 3.53Å; N571-Q574 WeakPolarHBondContact O-CA 3.43Å; N571-Q574 PolarHBondContact O-N 3.25Å; N571-Y609 PolarHBondContact N-OH 3.27Å
572	D	84.2	Confident	93.5	Very high	67 Å²	67	41.8 Å²	41.8	36%	0.358	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	81.4	-168.9	-62.3	-70.6	0	0	0	111.3	L158 Y609	L158-D572 WeakPolarHBondContact CD1-OD2 3.39Å; L158-D572 WeakPolarHBondContact CG-OD2 3.35Å; D572-Y609 VanDerWaalsContact C-OH 3.29Å; D572-Y609 PolarHBondContact N-OH 3.16Å; D572-Y609 PolarHBondContact O-OH 3.29Å
573	P	89.9	Confident	93.5	Very high	54 Å²	54	37.8 Å²	37.8	35%	0.351	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	cis	-77.4	164.8	-3.1	34.6	-37.2	0	0	0	112.7	L570 N571 L575 Y609 H611	L570-P573 CarbonylContact C-O 3.6Å; N571-P573 CarbonylContact C-O 3.55Å; N571-P573 CarbonylContact O-C 3.53Å; P573-L575 HydrophobicContact CG-CD2 4.05Å; P573-L575 HydrophobicContact CG-CG 4.37Å; P573-L575 WeakPolarHBondContact O-CG 3.2Å; P573-L575 PolarHBondContact O-N 3.35Å; P573-L575 VanDerWaalsContact O-N 3.14Å; P573-Y609 PolarHBondContact O-OH 2.89Å; P573-H611 WeakPolarHBondContact CD-NE2 3.3Å; P573-H611 VanDerWaalsContact CG-NE2 3.28Å; P573-H611 WeakPolarHBondContact CG-NE2 3.02Å
574	Q	92.6	Very high	92.9	Very high	64 Å²	64	34.1 Å²	34.1	30%	0.299	17%	0.165	S	C	.	.	B	Isolated β-bridge	trans	-78.2	92.7	-171.4	-156.6	-166.2	47	0	0	112	V521 R525 A551 L570 N571	V521-Q574 HydrophobicContact CG1-CG 4.31Å; V521-Q574 VanDerWaalsContact CG1-NE2 3.29Å; R525-Q574 VanDerWaalsContact CZ-OE1 3.24Å; R525-Q574 VanDerWaalsContact NH2-CD 3.31Å; R525-Q574 VanDerWaalsContact NH2-CG 3.33Å; R525-Q574 PolarHBondContact NH2-O 3.35Å; A551-Q574 HydrophobicContact CB-CG 4Å; L570-Q574 CarbonylContact O-C 3.6Å; L570-Q574 WeakPolarHBondContact O-CA 3.31Å; N571-Q574 WeakPolarHBondContact O-CA 3.43Å; N571-Q574 PolarHBondContact O-N 3.25Å
575	L	95.7	Very high	92.3	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	17%	0.174	C	C	.	.			trans	-99.1	144.9	-171.9	-59.8	-171	0	0	0	113.6	A551 L570 P573 P577 E596 K598 L600 Y609 H611	A551-L575 VanDerWaalsContact CA-O 3.25Å; A551-L575 WeakPolarHBondContact CA-O 3.39Å; A551-L575 VanDerWaalsContact CB-O 3.29Å; A551-L575 WeakPolarHBondContact CB-O 3.38Å; L570-L575 HydrophobicContact CB-CB 4.27Å; L570-L575 PolarHBondContact O-N 3.19Å; P573-L575 HydrophobicContact CG-CD2 4.05Å; P573-L575 HydrophobicContact CG-CG 4.37Å; P573-L575 WeakPolarHBondContact O-CG 3.2Å; P573-L575 PolarHBondContact O-N 3.35Å; P573-L575 VanDerWaalsContact O-N 3.14Å; L575-P577 WeakPolarHBondContact O-CD 3.3Å; L575-E596 HydrophobicContact CD2-CB 4.33Å; L575-E596 HydrophobicContact CD2-CG 4.45Å; L575-K598 HydrophobicContact CD1-CB 4.35Å; L575-K598 HydrophobicContact CD1-CG 4.41Å; L575-K598 HydrophobicContact CD2-CB 4.4Å; L575-K598 HydrophobicContact CD2-CG 3.73Å; L575-L600 HydrophobicContact CB-CD2 4.46Å; L575-L600 HydrophobicContact CD1-CB 4.07Å; L575-L600 HydrophobicContact CD1-CD2 3.95Å; L575-Y609 HydrophobicContact CD1-CE2 4.01Å; L575-H611 HydrophobicContact CD1-CB 4.09Å
576	S	96.2	Very high	91.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.175	C	C	.	.			trans	-105.4	86.6	179.9	-41.5	0	0	0	0	110.2	R525 Q528 Y578 C593 T595 E596	R525-S576 PolarHBondContact NH1-OG 3.2Å; Q528-S576 PolarHBondContact NE2-OG 3.01Å; Q528-S576 VanDerWaalsContact NE2-OG 3.13Å; S576-Y578 WeakPolarHBondContact O-CD2 3.3Å; S576-Y578 PolarHBondContact O-N 3.23Å; S576-C593 WeakPolarHBondContact O-CA 3.39Å; S576-C593 VanDerWaalsContact O-CB 3.3Å; S576-C593 WeakPolarHBondContact O-CB 3.28Å; S576-T595 WeakPolarHBondContact CB-OG1 3.44Å; S576-E596 VanDerWaalsContact CB-OE1 3.28Å; S576-E596 WeakPolarHBondContact CB-OE1 3.42Å; S576-E596 WeakPolarHBondContact CB-OE2 3.48Å; S576-E596 PolarHBondContact N-OE2 3.01Å; S576-E596 VanDerWaalsContact OG-CD 3.26Å; S576-E596 PolarHBondContact OG-OE1 2.83Å; S576-E596 PolarHBondContact OG-OE2 2.82Å
577	P	97.2	Very high	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.183	C	C	.	.			trans	-66.6	131.9	-179.7	28.5	-37.2	0	0	0	111.4	A546 P548 M552 I553 L570 L575 A591	A546-P577 HydrophobicContact CB-CB 4.1Å; A546-P577 HydrophobicContact CB-CG 4.32Å; A546-P577 WeakPolarHBondContact CB-O 3.47Å; P548-P577 VanDerWaalsContact CB-O 3.22Å; P548-P577 WeakPolarHBondContact CB-O 3.25Å; P548-P577 VanDerWaalsContact CD-O 3.28Å; P548-P577 WeakPolarHBondContact CD-O 3.25Å; P548-P577 VanDerWaalsContact CG-O 3.3Å; P548-P577 WeakPolarHBondContact CG-O 3.14Å; M552-P577 WeakPolarHBondContact O-CG 3.44Å; I553-P577 HydrophobicContact CD1-CB 4.39Å; I553-P577 HydrophobicContact CG1-CB 4.16Å; I553-P577 HydrophobicContact CG1-CG 4.08Å; L570-P577 HydrophobicContact CD1-CB 4.25Å; L570-P577 HydrophobicContact CD1-CG 3.75Å; L575-P577 WeakPolarHBondContact O-CD 3.3Å; P577-A591 HydrophobicContact CB-CB 4.39Å
578	Y	95.7	Very high	91.2	Very high	36 Å²	36	36.1 Å²	36.1	14%	0.141	18%	0.175	C	C	.	.			trans	-110.5	-71	174.9	-90	-102.6	0	0	0	111.8	Q528 P529 F532 G533 A546 P548 S576 T592 T595	Q528-Y578 VanDerWaalsContact OE1-CE2 3.24Å; Q528-Y578 PolarHBondContact OE1-OH 2.96Å; P529-Y578 VanDerWaalsContact CD-OH 3.27Å; P529-Y578 WeakPolarHBondContact CD-OH 3.4Å; P529-Y578 HydrophobicContact CG-CE1 4.27Å; F532-Y578 HydrophobicContact CB-CD1 4.42Å; F532-Y578 AromaticContact CD1-CD1 3.5Å; F532-Y578 HydrophobicContact CD1-CD1 3.5Å; F532-Y578 VanDerWaalsContact CD1-CD1 3.5Å; F532-Y578 HydrophobicContact CD1-CE1 4.31Å; F532-Y578 HydrophobicContact CD1-CG 4.22Å; F532-Y578 HydrophobicContact CD2-CD1 4.07Å; F532-Y578 HydrophobicContact CD2-CE1 4.06Å; F532-Y578 AromaticContact CE1-CD1 3.7Å; F532-Y578 HydrophobicContact CE1-CD1 3.7Å; F532-Y578 HydrophobicContact CE1-CE1 4.45Å; F532-Y578 HydrophobicContact CE2-CD1 4.24Å; F532-Y578 HydrophobicContact CE2-CE1 4.21Å; F532-Y578 AromaticContact CG-CD1 3.71Å; F532-Y578 HydrophobicContact CG-CD1 3.71Å; F532-Y578 HydrophobicContact CG-CE1 4.12Å; F532-Y578 HydrophobicContact CZ-CD1 4.07Å; F532-Y578 HydrophobicContact CZ-CE1 4.41Å; G533-Y578 WeakPolarHBondContact CA-O 3.43Å; G533-Y578 PolarHBondContact N-O 3.17Å; A546-Y578 WeakPolarHBondContact CB-O 3.45Å; P548-Y578 HydrophobicContact CB-CD2 3.97Å; P548-Y578 HydrophobicContact CB-CE2 3.7Å; P548-Y578 HydrophobicContact CG-CD2 4.3Å; P548-Y578 HydrophobicContact CG-CE2 4.14Å; S576-Y578 WeakPolarHBondContact O-CD2 3.3Å; S576-Y578 PolarHBondContact O-N 3.23Å; Y578-T592 PolarHBondContact N-O 3.36Å; Y578-T595 HydrophobicContact CE2-CG2 4.31Å
579	F	95.1	Very high	91.2	Very high	37 Å²	37	35.7 Å²	35.7	16%	0.162	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.5	178.4	-44.7	-81	0	0	0	109.6	Y419 F532 A591 T592 G623 H624 I625	Y419-F579 HydrophobicContact CD2-CD1 4.29Å; Y419-F579 HydrophobicContact CD2-CE1 4.19Å; Y419-F579 AromaticContact CE2-CD1 3.63Å; Y419-F579 HydrophobicContact CE2-CD1 3.63Å; Y419-F579 AromaticContact CE2-CE1 3.77Å; Y419-F579 HydrophobicContact CE2-CE1 3.77Å; F532-F579 HydrophobicContact CD1-CE1 4.45Å; F532-F579 HydrophobicContact CE1-CD1 4.16Å; F532-F579 AromaticContact CE1-CE1 3.61Å; F532-F579 HydrophobicContact CE1-CE1 3.61Å; F532-F579 AromaticContact CE1-CZ 3.96Å; F532-F579 HydrophobicContact CE1-CZ 3.96Å; F532-F579 HydrophobicContact CZ-CE1 4.49Å; F579-A591 CarbonylContact O-C 3.52Å; F579-A591 WeakPolarHBondContact O-CA 3.43Å; F579-T592 WeakPolarHBondContact CB-OG1 3.47Å; F579-T592 PolarHBondContact N-OG1 3.12Å; F579-T592 PolarHBondContact O-N 3.41Å; F579-T592 PolarHBondContact O-OG1 3.12Å; F579-G623 WeakPolarHBondContact CD2-O 3.3Å; F579-H624 AromaticContact CD1-CD2 3.42Å; F579-H624 VanDerWaalsContact CD1-CD2 3.42Å; F579-H624 WeakPolarHBondContact CD1-CD2 3.46Å; F579-H624 AromaticContact CE1-CD2 3.77Å; F579-H624 AromaticContact CG-CD2 3.83Å; F579-I625 HydrophobicContact CB-CG2 4.18Å; F579-I625 WeakPolarHBondContact O-CG2 3.49Å
580	L	96.3	Very high	91.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.8	177.3	66.6	83	0	0	0	111.3	D535 A546 I553 V589 W590 A591	D535-L580 HydrophobicContact CB-CD1 3.5Å; D535-L580 VanDerWaalsContact CB-CD1 3.5Å; D535-L580 WeakPolarHBondContact CB-O 3.41Å; A546-L580 HydrophobicContact CB-CD2 4.02Å; I553-L580 HydrophobicContact CD1-CD2 4.23Å; I553-L580 HydrophobicContact CG1-CD2 4.2Å; I553-L580 HydrophobicContact CG2-CD2 4.05Å; L580-V589 HydrophobicContact CB-CG1 3.95Å; L580-V589 HydrophobicContact CD1-CG1 3.97Å; L580-V589 HydrophobicContact CD2-CG1 4.31Å; L580-V589 HydrophobicContact CG-CG1 4.31Å; L580-W590 CarbonylContact C-O 3.46Å; L580-W590 WeakPolarHBondContact CA-O 3.35Å; L580-W590 WeakPolarHBondContact CB-O 3.34Å; L580-A591 HydrophobicContact CB-CB 3.62Å
581	C	95.5	Very high	91.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	144.4	169.2	66.5	0	0	0	0	112.3	D535 A583 W590 I626	D535-C581 VanDerWaalsContact OD2-CA 3.26Å; D535-C581 WeakPolarHBondContact OD2-CA 3.44Å; C581-A583 PolarHBondContact O-N 3.4Å; C581-W590 PolarHBondContact N-O 3.23Å; C581-W590 PolarHBondContact O-N 3.21Å; C581-I626 VanDerWaalsContact SG-C 3.58Å
582	L	95.1	Very high	92.1	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	104.9	178.4	-178.8	63.6	0	0	0	111.5	D535 D537 Y544 K584 V589 I604 Y627	D535-L582 PolarHBondContact OD2-N 3.47Å; D537-L582 HydrophobicContact CB-CD2 3.5Å; D537-L582 VanDerWaalsContact CB-CD2 3.5Å; Y544-L582 HydrophobicContact CD2-CD2 4.44Å; Y544-L582 HydrophobicContact CE2-CD1 4.29Å; Y544-L582 HydrophobicContact CE2-CD2 3.9Å; L582-K584 PolarHBondContact O-N 2.93Å; L582-V589 HydrophobicContact CD1-CG2 4.16Å; L582-I604 HydrophobicContact CD1-CD1 3.47Å; L582-I604 VanDerWaalsContact CD1-CD1 3.47Å; L582-Y627 VanDerWaalsContact O-CD1 3.29Å; L582-Y627 WeakPolarHBondContact O-CD1 3.36Å
583	A	92.3	Very high	92.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	71.4	172.2	0	0	0	0	0	110.2	C581 N585 E586 Q587 N588 Y627 I633	C581-A583 PolarHBondContact O-N 3.4Å; A583-N585 VanDerWaalsContact C-N 3.28Å; A583-N585 PolarHBondContact O-N 3Å; A583-E586 HydrophobicContact CB-CB 4.41Å; A583-E586 HydrophobicContact CB-CG 4.37Å; A583-E586 WeakPolarHBondContact O-CA 3.33Å; A583-E586 PolarHBondContact O-N 3.35Å; A583-Q587 PolarHBondContact O-N 3.39Å; A583-N588 HydrophobicContact CB-CB 4.43Å; A583-N588 WeakPolarHBondContact CB-O 3.46Å; A583-N588 PolarHBondContact N-O 2.84Å; A583-Y627 HydrophobicContact CB-CD2 4.08Å; A583-Y627 HydrophobicContact CB-CE2 3.95Å; A583-I633 HydrophobicContact CB-CD1 4.11Å; A583-I633 HydrophobicContact CB-CG1 4.29Å
584	K	79.5	Confident	92.8	Very high	94 Å²	94	26.4 Å²	26.4	41%	0.409	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-46.4	-43.2	-169.4	-177.9	-170.9	168.2	-163.4	0	114.6	T539 L582 E586 Q587 Y627	T539-K584 HydrophobicContact CG2-CD 4.1Å; T539-K584 VanDerWaalsContact CG2-CE 3.46Å; L582-K584 PolarHBondContact O-N 2.93Å; K584-E586 PolarHBondContact O-N 3.37Å; K584-Q587 PolarHBondContact O-N 3.2Å; K584-Q587 PolarHBondContact O-NE2 3.45Å; K584-Y627 HydrophobicContact CB-CE1 4.31Å
585	N	80.4	Confident	92.8	Very high	107 Å²	107	27 Å²	27	57%	0.572	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-71.4	-16.4	-177.3	-61.4	-10.8	0	0	0	113.6	A583 Y627 N631	A583-N585 VanDerWaalsContact C-N 3.28Å; A583-N585 PolarHBondContact O-N 3Å; N585-Y627 PolarHBondContact ND2-OH 3.41Å; N585-N631 PolarHBondContact ND2-OD1 3.29Å
586	E	78.9	Confident	92.7	Very high	67 Å²	67	29.2 Å²	29.2	31%	0.313	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-101.5	-6.8	176.5	-50.4	-178.2	173.1	0	0	112.7	A583 K584 N588 W590	A583-E586 HydrophobicContact CB-CB 4.41Å; A583-E586 HydrophobicContact CB-CG 4.37Å; A583-E586 WeakPolarHBondContact O-CA 3.33Å; A583-E586 PolarHBondContact O-N 3.35Å; K584-E586 PolarHBondContact O-N 3.37Å; E586-N588 HydrophobicContact CB-CB 4.15Å; E586-N588 VanDerWaalsContact CB-ND2 3.32Å; E586-N588 WeakPolarHBondContact CB-ND2 3.3Å; E586-N588 PolarHBondContact O-N 3.34Å; E586-N588 PolarHBondContact OE2-ND2 3.34Å; E586-W590 PolarHBondContact OE2-NE1 3.37Å
587	Q	87.2	Confident	92.7	Very high	90 Å²	90	30.6 Å²	30.6	42%	0.421	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	33.6	-166.9	-63.3	-64.7	-70.3	0	0	113.5	A583 K584 I604	A583-Q587 PolarHBondContact O-N 3.39Å; K584-Q587 PolarHBondContact O-N 3.2Å; K584-Q587 PolarHBondContact O-NE2 3.45Å; Q587-I604 VanDerWaalsContact O-CB 3.25Å; Q587-I604 WeakPolarHBondContact O-CB 3.4Å; Q587-I604 WeakPolarHBondContact O-CD1 3.49Å; Q587-I604 WeakPolarHBondContact O-CG1 3.28Å; Q587-I604 PolarHBondContact O-N 3.38Å; Q587-I604 VanDerWaalsContact O-N 3.14Å
588	N	93.6	Very high	92.6	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.2	178.6	-69.1	-38.9	0	0	0	111.5	A583 E586 I601 L602 D603	A583-N588 HydrophobicContact CB-CB 4.43Å; A583-N588 WeakPolarHBondContact CB-O 3.46Å; A583-N588 PolarHBondContact N-O 2.84Å; E586-N588 HydrophobicContact CB-CB 4.15Å; E586-N588 VanDerWaalsContact CB-ND2 3.32Å; E586-N588 WeakPolarHBondContact CB-ND2 3.3Å; E586-N588 PolarHBondContact O-N 3.34Å; E586-N588 PolarHBondContact OE2-ND2 3.34Å; N588-I601 HydrophobicContact CB-CG2 4.01Å; N588-L602 CarbonylContact C-O 3.36Å; N588-L602 VanDerWaalsContact CA-O 3.27Å; N588-L602 WeakPolarHBondContact CA-O 3.29Å; N588-D603 WeakPolarHBondContact OD1-CA 3.19Å
589	V	96.5	Very high	92.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.6	157.9	-177.4	0	0	0	0	107.8	Y544 I553 L580 L582 L602 I604	Y544-V589 HydrophobicContact CD1-CG2 3.57Å; Y544-V589 HydrophobicContact CE1-CG2 3.77Å; Y544-V589 HydrophobicContact CG-CG2 4.25Å; I553-V589 HydrophobicContact CD1-CG1 4.24Å; L580-V589 HydrophobicContact CB-CG1 3.95Å; L580-V589 HydrophobicContact CD1-CG1 3.97Å; L580-V589 HydrophobicContact CD2-CG1 4.31Å; L580-V589 HydrophobicContact CG-CG1 4.31Å; L582-V589 HydrophobicContact CD1-CG2 4.16Å; V589-L602 HydrophobicContact CB-CB 4.27Å; V589-L602 HydrophobicContact CB-CD2 4.31Å; V589-L602 PolarHBondContact N-O 2.99Å; V589-L602 PolarHBondContact O-N 3.37Å; V589-I604 HydrophobicContact CG2-CD1 3.85Å; V589-I604 HydrophobicContact CG2-CG1 3.97Å
590	W	97.5	Very high	92.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.7	169.8	-74.6	67.3	0	0	0	108.3	L580 C581 E586 V599 L600 I601 F612 I625 I633 I646 R648 I653	L580-W590 CarbonylContact C-O 3.46Å; L580-W590 WeakPolarHBondContact CA-O 3.35Å; L580-W590 WeakPolarHBondContact CB-O 3.34Å; C581-W590 PolarHBondContact N-O 3.23Å; C581-W590 PolarHBondContact O-N 3.21Å; E586-W590 PolarHBondContact OE2-NE1 3.37Å; W590-V599 HydrophobicContact CE3-CG1 3.79Å; W590-V599 HydrophobicContact CZ3-CG1 4.15Å; W590-L600 WeakPolarHBondContact CA-O 3.22Å; W590-I601 HydrophobicContact CD2-CD1 4.36Å; W590-I601 HydrophobicContact CD2-CG1 3.83Å; W590-I601 HydrophobicContact CD2-CG2 4.3Å; W590-I601 HydrophobicContact CE3-CD1 4.18Å; W590-I601 HydrophobicContact CE3-CG1 3.77Å; W590-I601 HydrophobicContact CH2-CD1 3.41Å; W590-I601 VanDerWaalsContact CH2-CD1 3.41Å; W590-I601 HydrophobicContact CH2-CG1 3.95Å; W590-I601 HydrophobicContact CZ2-CD1 3.59Å; W590-I601 HydrophobicContact CZ2-CG1 3.99Å; W590-I601 HydrophobicContact CZ2-CG2 4.26Å; W590-I601 HydrophobicContact CZ3-CD1 3.71Å; W590-I601 HydrophobicContact CZ3-CG1 3.83Å; W590-F612 AromaticContact CZ3-CE1 3.99Å; W590-F612 HydrophobicContact CZ3-CE1 3.99Å; W590-F612 HydrophobicContact CZ3-CZ 4.32Å; W590-I625 HydrophobicContact CB-CD1 4.03Å; W590-I633 HydrophobicContact CD2-CD1 3.68Å; W590-I633 HydrophobicContact CD2-CG2 4.41Å; W590-I633 HydrophobicContact CE3-CD1 4.33Å; W590-I633 HydrophobicContact CE3-CG2 4.33Å; W590-I633 HydrophobicContact CG-CD1 3.97Å; W590-I633 HydrophobicContact CH2-CD1 4.3Å; W590-I633 HydrophobicContact CZ2-CD1 3.65Å; W590-I646 HydrophobicContact CH2-CG2 4.02Å; W590-I646 HydrophobicContact CZ3-CG2 3.71Å; W590-R648 HydrophobicContact CH2-CB 4.13Å; W590-R648 HydrophobicContact CZ2-CB 3.92Å; W590-I653 HydrophobicContact CH2-CD1 4.24Å
591	A	97.6	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.1	177.3	0	0	0	0	0	112.6	I553 P577 F579 L580 V599 L600	I553-A591 HydrophobicContact CD1-CB 4.04Å; P577-A591 HydrophobicContact CB-CB 4.39Å; F579-A591 CarbonylContact O-C 3.52Å; F579-A591 WeakPolarHBondContact O-CA 3.43Å; L580-A591 HydrophobicContact CB-CB 3.62Å; A591-V599 CarbonylContact O-C 3.58Å; A591-V599 WeakPolarHBondContact O-CA 3.31Å; A591-L600 HydrophobicContact CB-CD1 3.81Å; A591-L600 HydrophobicContact CB-CD2 4.34Å; A591-L600 HydrophobicContact CB-CG 3.87Å; A591-L600 PolarHBondContact N-O 3.12Å; A591-L600 PolarHBondContact O-N 2.92Å
592	T	97.4	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139	179.3	50.5	0	0	0	0	109.5	Y578 F579 V599 P622 G623 I625 L635	Y578-T592 PolarHBondContact N-O 3.36Å; F579-T592 WeakPolarHBondContact CB-OG1 3.47Å; F579-T592 PolarHBondContact N-OG1 3.12Å; F579-T592 PolarHBondContact O-N 3.41Å; F579-T592 PolarHBondContact O-OG1 3.12Å; T592-V599 HydrophobicContact CG2-CG2 4.1Å; T592-P622 HydrophobicContact CG2-CB 4.18Å; T592-G623 WeakPolarHBondContact CG2-O 3.41Å; T592-G623 PolarHBondContact OG1-O 2.62Å; T592-I625 HydrophobicContact CG2-CB 3.8Å; T592-I625 HydrophobicContact CG2-CD1 4.15Å; T592-I625 HydrophobicContact CG2-CG2 3.9Å; T592-L635 HydrophobicContact CG2-CD1 3.55Å
593	C	96.2	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	80.3	177.4	-44.1	0	0	0	0	107.6	S576 T595 E596 D597 K598	S576-C593 WeakPolarHBondContact O-CA 3.39Å; S576-C593 VanDerWaalsContact O-CB 3.3Å; S576-C593 WeakPolarHBondContact O-CB 3.28Å; C593-T595 PolarHBondContact O-N 3.49Å; C593-E596 VanDerWaalsContact CB-OE2 3.31Å; C593-E596 WeakPolarHBondContact CB-OE2 3.2Å; C593-E596 PolarHBondContact O-N 2.91Å; C593-D597 PolarHBondContact O-N 2.91Å; C593-K598 HydrophobicContact CB-CB 4.16Å; C593-K598 PolarHBondContact N-O 3.3Å; C593-K598 PolarHBondContact O-N 3.19Å; C593-K598 VanDerWaalsContact O-N 3.11Å
594	P	93.1	Very high	92.3	Very high	34 Å²	34	30.8 Å²	30.8	22%	0.221	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.4	-29.4	-170.3	-22.6	33.7	0	0	0	113	E596 D597 P622	P594-E596 VanDerWaalsContact C-N 3.33Å; P594-E596 PolarHBondContact O-N 3.48Å; P594-D597 PolarHBondContact O-N 2.84Å; P594-P622 WeakPolarHBondContact CG-O 3.41Å
595	T	92.3	Very high	92.7	Very high	78 Å²	78	30 Å²	30	48%	0.479	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-71.4	-22.3	179.7	45.2	0	0	0	0	114.2	Q528 S576 Y578 C593	Q528-T595 PolarHBondContact NE2-OG1 2.81Å; S576-T595 WeakPolarHBondContact CB-OG1 3.44Å; Y578-T595 HydrophobicContact CE2-CG2 4.31Å; C593-T595 PolarHBondContact O-N 3.49Å
596	E	93.8	Very high	92.9	Very high	50 Å²	50	27 Å²	27	23%	0.234	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-110.9	6.6	174.6	-57.1	82	-130.1	0	0	113.2	L575 S576 C593 P594 K598	L575-E596 HydrophobicContact CD2-CB 4.33Å; L575-E596 HydrophobicContact CD2-CG 4.45Å; S576-E596 VanDerWaalsContact CB-OE1 3.28Å; S576-E596 WeakPolarHBondContact CB-OE1 3.42Å; S576-E596 WeakPolarHBondContact CB-OE2 3.48Å; S576-E596 PolarHBondContact N-OE2 3.01Å; S576-E596 VanDerWaalsContact OG-CD 3.26Å; S576-E596 PolarHBondContact OG-OE1 2.83Å; S576-E596 PolarHBondContact OG-OE2 2.82Å; C593-E596 VanDerWaalsContact CB-OE2 3.31Å; C593-E596 WeakPolarHBondContact CB-OE2 3.2Å; C593-E596 PolarHBondContact O-N 2.91Å; P594-E596 VanDerWaalsContact C-N 3.33Å; P594-E596 PolarHBondContact O-N 3.48Å; E596-K598 HydrophobicContact CB-CG 4Å; E596-K598 VanDerWaalsContact O-CE 3.24Å; E596-K598 WeakPolarHBondContact O-CE 3.43Å; E596-K598 PolarHBondContact O-N 3.18Å
597	D	95	Very high	93	Very high	29 Å²	29	26.4 Å²	26.4	16%	0.155	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	53.3	-170.3	179.2	44.7	0	0	0	112.2	C593 P594 T613 P614 S615 P622	C593-D597 PolarHBondContact O-N 2.91Å; P594-D597 PolarHBondContact O-N 2.84Å; D597-T613 WeakPolarHBondContact O-CA 3.47Å; D597-T613 WeakPolarHBondContact O-CG2 3.35Å; D597-T613 WeakPolarHBondContact OD2-CG2 3.14Å; D597-P614 WeakPolarHBondContact O-CD 3.49Å; D597-S615 PolarHBondContact OD1-N 3.18Å; D597-S615 WeakPolarHBondContact OD2-CB 3.4Å; D597-S615 PolarHBondContact OD2-N 3.33Å; D597-S615 PolarHBondContact OD2-OG 2.93Å; D597-P622 WeakPolarHBondContact OD1-CD 3.31Å
598	K	96	Very high	93	Very high	41 Å²	41	23.2 Å²	23.2	18%	0.178	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.4	176.6	-53	-61.2	168.3	-156.1	0	113.1	L575 C593 E596 F612 T613	L575-K598 HydrophobicContact CD1-CB 4.35Å; L575-K598 HydrophobicContact CD1-CG 4.41Å; L575-K598 HydrophobicContact CD2-CB 4.4Å; L575-K598 HydrophobicContact CD2-CG 3.73Å; C593-K598 HydrophobicContact CB-CB 4.16Å; C593-K598 PolarHBondContact N-O 3.3Å; C593-K598 PolarHBondContact O-N 3.19Å; C593-K598 VanDerWaalsContact O-N 3.11Å; E596-K598 HydrophobicContact CB-CG 4Å; E596-K598 VanDerWaalsContact O-CE 3.24Å; E596-K598 WeakPolarHBondContact O-CE 3.43Å; E596-K598 PolarHBondContact O-N 3.18Å; K598-F612 WeakPolarHBondContact CA-O 3.46Å; K598-T613 PolarHBondContact NZ-OG1 3.03Å
599	V	96.6	Very high	92.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.5	150.4	170.2	0	0	0	0	107	W590 A591 T592 H611 F612 P614 P622 L635	W590-V599 HydrophobicContact CE3-CG1 3.79Å; W590-V599 HydrophobicContact CZ3-CG1 4.15Å; A591-V599 CarbonylContact O-C 3.58Å; A591-V599 WeakPolarHBondContact O-CA 3.31Å; T592-V599 HydrophobicContact CG2-CG2 4.1Å; V599-H611 CarbonylContact O-C 3.53Å; V599-H611 VanDerWaalsContact O-CA 3.24Å; V599-H611 WeakPolarHBondContact O-CA 3.43Å; V599-F612 HydrophobicContact CB-CD1 4.28Å; V599-F612 HydrophobicContact CB-CE1 3.67Å; V599-F612 HydrophobicContact CB-CE2 4.13Å; V599-F612 HydrophobicContact CB-CZ 3.59Å; V599-F612 HydrophobicContact CG1-CD1 4.44Å; V599-F612 HydrophobicContact CG1-CE1 3.54Å; V599-F612 HydrophobicContact CG1-CZ 3.68Å; V599-F612 HydrophobicContact CG2-CZ 4.19Å; V599-F612 PolarHBondContact N-O 2.96Å; V599-F612 VanDerWaalsContact N-O 3.12Å; V599-F612 PolarHBondContact O-N 2.72Å; V599-P614 HydrophobicContact CB-CG 4.26Å; V599-P614 HydrophobicContact CG2-CG 3.71Å; V599-P622 HydrophobicContact CG2-CB 4.04Å; V599-L635 HydrophobicContact CG2-CD2 4.31Å
600	L	95.9	Very high	92.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153.5	171.7	72.4	82.4	0	0	0	111.3	I553 L570 L575 W590 A591 L602 Y609 F610 H611	I553-L600 HydrophobicContact CD1-CD1 4.18Å; L570-L600 HydrophobicContact CD1-CD2 3.57Å; L570-L600 HydrophobicContact CD2-CD2 4.13Å; L570-L600 HydrophobicContact CG-CD2 4.41Å; L575-L600 HydrophobicContact CB-CD2 4.46Å; L575-L600 HydrophobicContact CD1-CB 4.07Å; L575-L600 HydrophobicContact CD1-CD2 3.95Å; W590-L600 WeakPolarHBondContact CA-O 3.22Å; A591-L600 HydrophobicContact CB-CD1 3.81Å; A591-L600 HydrophobicContact CB-CD2 4.34Å; A591-L600 HydrophobicContact CB-CG 3.87Å; A591-L600 PolarHBondContact N-O 3.12Å; A591-L600 PolarHBondContact O-N 2.92Å; L600-L602 HydrophobicContact CD1-CB 3.96Å; L600-Y609 HydrophobicContact CB-CD2 4.43Å; L600-F610 CarbonylContact C-O 3.55Å; L600-F610 VanDerWaalsContact CA-O 3.25Å; L600-F610 WeakPolarHBondContact CA-O 3.2Å; L600-H611 HydrophobicContact CB-CB 4.28Å
601	I	95.3	Very high	92.5	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	99.7	177.1	-48.5	173.4	0	0	0	105.9	N588 W590 Y609 F610 F612 I653	N588-I601 HydrophobicContact CB-CG2 4.01Å; W590-I601 HydrophobicContact CD2-CD1 4.36Å; W590-I601 HydrophobicContact CD2-CG1 3.83Å; W590-I601 HydrophobicContact CD2-CG2 4.3Å; W590-I601 HydrophobicContact CE3-CD1 4.18Å; W590-I601 HydrophobicContact CE3-CG1 3.77Å; W590-I601 HydrophobicContact CH2-CD1 3.41Å; W590-I601 VanDerWaalsContact CH2-CD1 3.41Å; W590-I601 HydrophobicContact CH2-CG1 3.95Å; W590-I601 HydrophobicContact CZ2-CD1 3.59Å; W590-I601 HydrophobicContact CZ2-CG1 3.99Å; W590-I601 HydrophobicContact CZ2-CG2 4.26Å; W590-I601 HydrophobicContact CZ3-CD1 3.71Å; W590-I601 HydrophobicContact CZ3-CG1 3.83Å; I601-Y609 CarbonylContact O-C 3.55Å; I601-Y609 VanDerWaalsContact O-CA 3.26Å; I601-Y609 WeakPolarHBondContact O-CA 3.21Å; I601-F610 PolarHBondContact N-O 2.81Å; I601-F610 PolarHBondContact O-N 2.95Å; I601-F612 HydrophobicContact CD1-CE1 4.35Å; I601-I653 HydrophobicContact CD1-CD1 3.85Å
602	L	95.2	Very high	92.2	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117.7	178	167.9	64.3	0	0	0	109.4	I553 W568 N588 V589 L600 I604	I553-L602 HydrophobicContact CB-CD2 4.3Å; I553-L602 HydrophobicContact CD1-CD2 4.09Å; I553-L602 HydrophobicContact CG2-CD2 4.4Å; W568-L602 HydrophobicContact CB-CD1 4.06Å; W568-L602 HydrophobicContact CB-CD2 3.81Å; W568-L602 HydrophobicContact CD2-CD2 3.68Å; W568-L602 HydrophobicContact CE3-CD2 3.96Å; W568-L602 HydrophobicContact CG-CD1 3.83Å; W568-L602 HydrophobicContact CG-CD2 3.64Å; W568-L602 HydrophobicContact CG-CG 4.3Å; N588-L602 CarbonylContact C-O 3.36Å; N588-L602 VanDerWaalsContact CA-O 3.27Å; N588-L602 WeakPolarHBondContact CA-O 3.29Å; V589-L602 HydrophobicContact CB-CB 4.27Å; V589-L602 HydrophobicContact CB-CD2 4.31Å; V589-L602 PolarHBondContact N-O 2.99Å; V589-L602 PolarHBondContact O-N 3.37Å; L600-L602 HydrophobicContact CD1-CB 3.96Å; L602-I604 PolarHBondContact O-N 3.29Å
603	D	91.1	Very high	92.1	Very high	34 Å²	34	36.3 Å²	36.3	18%	0.182	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.7	175.1	-176.4	-39.4	0	0	0	108.8	N588 D605 V606 D607 G608	N588-D603 WeakPolarHBondContact OD1-CA 3.19Å; D603-D605 PolarHBondContact O-N 2.83Å; D603-D605 WeakPolarHBondContact OD1-CA 3.45Å; D603-D605 VanDerWaalsContact OD1-CB 3.26Å; D603-D605 WeakPolarHBondContact OD1-CB 3.2Å; D603-D605 PolarHBondContact OD1-N 3.43Å; D603-V606 HydrophobicContact CB-CB 4Å; D603-V606 HydrophobicContact CB-CG2 4.36Å; D603-V606 VanDerWaalsContact CG-CG2 3.47Å; D603-V606 PolarHBondContact O-N 3.17Å; D603-V606 WeakPolarHBondContact OD1-CG2 3.46Å; D603-V606 PolarHBondContact OD1-N 2.93Å; D603-V606 VanDerWaalsContact OD2-CG2 3.25Å; D603-V606 WeakPolarHBondContact OD2-CG2 3.33Å; D603-D607 PolarHBondContact O-N 2.94Å; D603-D607 VanDerWaalsContact O-N 3.12Å; D603-G608 PolarHBondContact N-O 2.73Å
604	I	90	Very high	92	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.7	-176.3	-60.9	169.4	0	0	0	110.8	Y544 R566 W568 L582 Q587 V589 L602	Y544-I604 HydrophobicContact CE1-CD1 4.17Å; R566-I604 PolarHBondContact NH1-O 2.88Å; R566-I604 PolarHBondContact NH2-O 3.23Å; W568-I604 HydrophobicContact CZ2-CG2 4.18Å; L582-I604 HydrophobicContact CD1-CD1 3.47Å; L582-I604 VanDerWaalsContact CD1-CD1 3.47Å; Q587-I604 VanDerWaalsContact O-CB 3.25Å; Q587-I604 WeakPolarHBondContact O-CB 3.4Å; Q587-I604 WeakPolarHBondContact O-CD1 3.49Å; Q587-I604 WeakPolarHBondContact O-CG1 3.28Å; Q587-I604 PolarHBondContact O-N 3.38Å; Q587-I604 VanDerWaalsContact O-N 3.14Å; V589-I604 HydrophobicContact CG2-CD1 3.85Å; V589-I604 HydrophobicContact CG2-CG1 3.97Å; L602-I604 PolarHBondContact O-N 3.29Å
605	D	86.4	Confident	92	Very high	78 Å²	78	36.9 Å²	36.9	42%	0.417	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-37.2	-171.8	-119	38.2	0	0	0	110.6	R163 D603	R163-D605 WeakPolarHBondContact CD-O 3.41Å; R163-D605 VanDerWaalsContact CZ-C 3.49Å; R163-D605 IonicContact CZ-OD2 3.04Å; R163-D605 PolarHBondContact NE-O 3.42Å; R163-D605 VanDerWaalsContact NE-O 3.1Å; R163-D605 VanDerWaalsContact NH1-C 3.3Å; R163-D605 PolarHBondContact NH1-O 3Å; R163-D605 IonicContact NH1-OD2 2.76Å; R163-D605 IonicContact NH2-OD2 2.8Å; R163-D605 PolarHBondContact NH2-OD2 3.17Å; D603-D605 PolarHBondContact O-N 2.83Å; D603-D605 WeakPolarHBondContact OD1-CA 3.45Å; D603-D605 VanDerWaalsContact OD1-CB 3.26Å; D603-D605 WeakPolarHBondContact OD1-CB 3.2Å; D603-D605 PolarHBondContact OD1-N 3.43Å
606	V	84.8	Confident	91.9	Very high	44 Å²	44	39.9 Å²	39.9	27%	0.267	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.2	178.8	177	0	0	0	0	114	S161 D603 G608	S161-V606 WeakPolarHBondContact CB-O 3.38Å; S161-V606 PolarHBondContact OG-O 3.32Å; D603-V606 HydrophobicContact CB-CB 4Å; D603-V606 HydrophobicContact CB-CG2 4.36Å; D603-V606 VanDerWaalsContact CG-CG2 3.47Å; D603-V606 PolarHBondContact O-N 3.17Å; D603-V606 WeakPolarHBondContact OD1-CG2 3.46Å; D603-V606 PolarHBondContact OD1-N 2.93Å; D603-V606 VanDerWaalsContact OD2-CG2 3.25Å; D603-V606 WeakPolarHBondContact OD2-CG2 3.33Å; V606-G608 PolarHBondContact O-N 2.86Å
607	D	82.1	Confident	91.6	Very high	54 Å²	54	40.7 Å²	40.7	29%	0.289	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.8	-165.6	-72	-49.7	0	0	0	111.6	R566 W568 D603	R566-D607 IonicContact CZ-OD1 3.72Å; R566-D607 IonicContact CZ-OD2 2.78Å; R566-D607 IonicContact NE-OD1 3.94Å; R566-D607 PolarHBondContact NE-OD1 2.87Å; R566-D607 IonicContact NE-OD2 2.8Å; R566-D607 IonicContact NH2-OD1 2.73Å; R566-D607 PolarHBondContact NH2-OD1 3.47Å; R566-D607 IonicContact NH2-OD2 2.67Å; R566-D607 PolarHBondContact NH2-OD2 3.22Å; W568-D607 PolarHBondContact NE1-OD1 3.46Å; D603-D607 PolarHBondContact O-N 2.94Å; D603-D607 VanDerWaalsContact O-N 3.12Å
608	G	86.2	Confident	91.4	Very high	22 Å²	22	42.7 Å²	42.7	23%	0.227	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.7	178.4	0	0	0	0	0	111	D603 V606	D603-G608 PolarHBondContact N-O 2.73Å; V606-G608 PolarHBondContact O-N 2.86Å
609	Y	91.7	Very high	91.2	Very high	46 Å²	46	46.6 Å²	46.6	18%	0.18	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.1	178.9	67.6	-80.8	0	0	0	112.3	L570 N571 D572 P573 L575 L600 I601	L570-Y609 VanDerWaalsContact CA-OH 3.32Å; L570-Y609 WeakPolarHBondContact CA-OH 3.42Å; L570-Y609 HydrophobicContact CB-CE1 4.34Å; L570-Y609 HydrophobicContact CD2-CD1 3.58Å; L570-Y609 HydrophobicContact CD2-CD2 4.11Å; L570-Y609 HydrophobicContact CD2-CE1 3.72Å; L570-Y609 HydrophobicContact CD2-CE2 4.22Å; L570-Y609 HydrophobicContact CD2-CG 3.79Å; N571-Y609 PolarHBondContact N-OH 3.27Å; D572-Y609 VanDerWaalsContact C-OH 3.29Å; D572-Y609 PolarHBondContact N-OH 3.16Å; D572-Y609 PolarHBondContact O-OH 3.29Å; P573-Y609 PolarHBondContact O-OH 2.89Å; L575-Y609 HydrophobicContact CD1-CE2 4.01Å; L600-Y609 HydrophobicContact CB-CD2 4.43Å; I601-Y609 CarbonylContact O-C 3.55Å; I601-Y609 VanDerWaalsContact O-CA 3.26Å; I601-Y609 WeakPolarHBondContact O-CA 3.21Å
610	F	91.1	Very high	91.1	Very high	111 Å²	111	46.5 Å²	46.5	49%	0.487	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	156.4	168.6	-57.9	-89	0	0	0	108.5	L600 I601	L600-F610 CarbonylContact C-O 3.55Å; L600-F610 VanDerWaalsContact CA-O 3.25Å; L600-F610 WeakPolarHBondContact CA-O 3.2Å; I601-F610 PolarHBondContact N-O 2.81Å; I601-F610 PolarHBondContact O-N 2.95Å
611	H	93.8	Very high	91	Very high	78 Å²	78	49.2 Å²	49.2	36%	0.361	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.7	173.5	64.9	63	0	0	0	112.1	P573 L575 V599 L600	P573-H611 WeakPolarHBondContact CD-NE2 3.3Å; P573-H611 VanDerWaalsContact CG-NE2 3.28Å; P573-H611 WeakPolarHBondContact CG-NE2 3.02Å; L575-H611 HydrophobicContact CD1-CB 4.09Å; V599-H611 CarbonylContact O-C 3.53Å; V599-H611 VanDerWaalsContact O-CA 3.24Å; V599-H611 WeakPolarHBondContact O-CA 3.43Å; L600-H611 HydrophobicContact CB-CB 4.28Å
612	F	93.3	Very high	90.9	Very high	23 Å²	23	49 Å²	49	10%	0.101	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	168.3	170.1	64.6	-84.3	0	0	0	110.9	W590 K598 V599 I601 P614 F618 I646 I653	W590-F612 AromaticContact CZ3-CE1 3.99Å; W590-F612 HydrophobicContact CZ3-CE1 3.99Å; W590-F612 HydrophobicContact CZ3-CZ 4.32Å; K598-F612 WeakPolarHBondContact CA-O 3.46Å; V599-F612 HydrophobicContact CB-CD1 4.28Å; V599-F612 HydrophobicContact CB-CE1 3.67Å; V599-F612 HydrophobicContact CB-CE2 4.13Å; V599-F612 HydrophobicContact CB-CZ 3.59Å; V599-F612 HydrophobicContact CG1-CD1 4.44Å; V599-F612 HydrophobicContact CG1-CE1 3.54Å; V599-F612 HydrophobicContact CG1-CZ 3.68Å; V599-F612 HydrophobicContact CG2-CZ 4.19Å; V599-F612 PolarHBondContact N-O 2.96Å; V599-F612 VanDerWaalsContact N-O 3.12Å; V599-F612 PolarHBondContact O-N 2.72Å; I601-F612 HydrophobicContact CD1-CE1 4.35Å; F612-P614 HydrophobicContact CD2-CG 4.17Å; F612-P614 HydrophobicContact CE2-CB 4.39Å; F612-P614 HydrophobicContact CE2-CG 3.93Å; F612-P614 WeakPolarHBondContact O-CD 3.42Å; F612-F618 HydrophobicContact CD2-CE2 4.03Å; F612-F618 HydrophobicContact CE2-CD2 4.31Å; F612-F618 AromaticContact CE2-CE2 3.87Å; F612-F618 HydrophobicContact CE2-CE2 3.87Å; F612-I646 HydrophobicContact CZ-CG2 4.28Å; F612-I653 HydrophobicContact CD1-CD1 4.25Å; F612-I653 HydrophobicContact CD1-CG1 3.97Å; F612-I653 HydrophobicContact CE1-CD1 4.12Å; F612-I653 HydrophobicContact CE1-CG1 4.09Å; F612-I653 HydrophobicContact CE1-CG2 4.25Å; F612-I653 HydrophobicContact CE2-CG2 4.2Å; F612-I653 HydrophobicContact CG-CG1 4.32Å; F612-I653 HydrophobicContact CZ-CG2 3.93Å
613	T	95	Very high	90.7	Very high	28 Å²	28	49 Å²	49	17%	0.172	27%	0.265	C	S	.	.			trans	-110.8	96.7	-172.9	-44.6	0	0	0	0	109.4	D597 K598 S615 I616 S617	D597-T613 WeakPolarHBondContact O-CA 3.47Å; D597-T613 WeakPolarHBondContact O-CG2 3.35Å; D597-T613 WeakPolarHBondContact OD2-CG2 3.14Å; K598-T613 PolarHBondContact NZ-OG1 3.03Å; T613-S615 VanDerWaalsContact C-N 3.34Å; T613-S615 PolarHBondContact O-N 2.72Å; T613-I616 HydrophobicContact CG2-CB 4.1Å; T613-I616 HydrophobicContact CG2-CD1 3.63Å; T613-I616 HydrophobicContact CG2-CG1 3.69Å; T613-I616 PolarHBondContact O-N 2.74Å; T613-S617 PolarHBondContact O-N 3.37Å; T613-S617 PolarHBondContact O-OG 3.45Å
614	P	93.1	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-29.3	-167.7	-21.6	34.2	0	0	0	114.4	D597 V599 F612 F618 N619 I620 P622	D597-P614 WeakPolarHBondContact O-CD 3.49Å; V599-P614 HydrophobicContact CB-CG 4.26Å; V599-P614 HydrophobicContact CG2-CG 3.71Å; F612-P614 HydrophobicContact CD2-CG 4.17Å; F612-P614 HydrophobicContact CE2-CB 4.39Å; F612-P614 HydrophobicContact CE2-CG 3.93Å; F612-P614 WeakPolarHBondContact O-CD 3.42Å; P614-F618 CarbonylContact O-C 3.59Å; P614-F618 WeakPolarHBondContact O-CA 3.23Å; P614-F618 PolarHBondContact O-N 2.95Å; P614-N619 PolarHBondContact O-N 2.91Å; P614-I620 CarbonylContact C-O 3.57Å; P614-I620 HydrophobicContact CB-CB 4.26Å; P614-I620 WeakPolarHBondContact CB-O 3.37Å; P614-I620 PolarHBondContact O-N 3.23Å; P614-P622 HydrophobicContact CG-CB 4.16Å; P614-P622 HydrophobicContact CG-CG 4.04Å
615	S	92.5	Very high	91	Very high	47 Å²	47	47.8 Å²	47.8	33%	0.329	26%	0.258	S	S	.	.	H	α-helix	trans	-67.4	-44.3	175.6	77.7	0	0	0	0	111.7	D597 T613 N619 I620	D597-S615 PolarHBondContact OD1-N 3.18Å; D597-S615 WeakPolarHBondContact OD2-CB 3.4Å; D597-S615 PolarHBondContact OD2-N 3.33Å; D597-S615 PolarHBondContact OD2-OG 2.93Å; T613-S615 VanDerWaalsContact C-N 3.34Å; T613-S615 PolarHBondContact O-N 2.72Å; S615-N619 WeakPolarHBondContact O-CA 3.42Å; S615-N619 PolarHBondContact O-N 3.47Å; S615-I620 WeakPolarHBondContact CA-O 3.35Å; S615-I620 PolarHBondContact N-O 2.95Å
616	I	90.4	Very high	91.4	Very high	141 Å²	141	44.1 Å²	44.1	72%	0.723	24%	0.238	S	C	*	.	H	α-helix	trans	-68.6	-43.6	179.2	-59.8	-179.8	0	0	0	111.3	T613	T613-I616 HydrophobicContact CG2-CB 4.1Å; T613-I616 HydrophobicContact CG2-CD1 3.63Å; T613-I616 HydrophobicContact CG2-CG1 3.69Å; T613-I616 PolarHBondContact O-N 2.74Å
617	S	88.9	Confident	91.8	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	23%	0.229	S	C	.	.	H	α-helix	trans	-78.9	-32.5	-175.8	-60.6	0	0	0	0	113.8	T613	T613-S617 PolarHBondContact O-N 3.37Å; T613-S617 PolarHBondContact O-OG 3.45Å
618	F	90.3	Very high	92	Very high	70 Å²	70	40.4 Å²	40.4	31%	0.307	22%	0.215	S	C	.	.	H	α-helix	trans	-141.3	-1.7	-166.9	-51.8	-65	0	0	0	115.2	F612 P614 I620 I653 V655	F612-F618 HydrophobicContact CD2-CE2 4.03Å; F612-F618 HydrophobicContact CE2-CD2 4.31Å; F612-F618 AromaticContact CE2-CE2 3.87Å; F612-F618 HydrophobicContact CE2-CE2 3.87Å; P614-F618 CarbonylContact O-C 3.59Å; P614-F618 WeakPolarHBondContact O-CA 3.23Å; P614-F618 PolarHBondContact O-N 2.95Å; F618-I620 HydrophobicContact CB-CD1 3.71Å; F618-I620 HydrophobicContact CB-CG1 4.01Å; F618-I653 HydrophobicContact CE2-CB 4.47Å; F618-I653 HydrophobicContact CE2-CG2 4.05Å; F618-I653 HydrophobicContact CZ-CB 4.16Å; F618-I653 HydrophobicContact CZ-CG2 4.03Å; F618-V655 HydrophobicContact CD1-CB 3.99Å; F618-V655 HydrophobicContact CD1-CG2 3.9Å; F618-V655 HydrophobicContact CD2-CG2 3.71Å; F618-V655 HydrophobicContact CE1-CB 4.07Å; F618-V655 HydrophobicContact CE1-CG2 3.71Å; F618-V655 HydrophobicContact CE2-CG2 3.51Å; F618-V655 HydrophobicContact CG-CB 4.23Å; F618-V655 HydrophobicContact CG-CG1 4.46Å; F618-V655 HydrophobicContact CG-CG2 3.91Å; F618-V655 HydrophobicContact CZ-CB 4.38Å; F618-V655 HydrophobicContact CZ-CG2 3.52Å
619	N	92.3	Very high	91.7	Very high	123 Å²	123	41.5 Å²	41.5	66%	0.658	22%	0.22	S	C	*	.	S	Bend	trans	53.7	48.2	-170.8	-163.5	96.1	0	0	0	112.5	P614 S615	P614-N619 PolarHBondContact O-N 2.91Å; S615-N619 WeakPolarHBondContact O-CA 3.42Å; S615-N619 PolarHBondContact O-N 3.47Å
620	I	93	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.			trans	-119.9	134.9	175.3	-62.1	167.9	0	0	0	108.4	P614 S615 F618 L635 D637 Y644 V655	P614-I620 CarbonylContact C-O 3.57Å; P614-I620 HydrophobicContact CB-CB 4.26Å; P614-I620 WeakPolarHBondContact CB-O 3.37Å; P614-I620 PolarHBondContact O-N 3.23Å; S615-I620 WeakPolarHBondContact CA-O 3.35Å; S615-I620 PolarHBondContact N-O 2.95Å; F618-I620 HydrophobicContact CB-CD1 3.71Å; F618-I620 HydrophobicContact CB-CG1 4.01Å; I620-L635 HydrophobicContact CG2-CD2 3.86Å; I620-D637 HydrophobicContact CG2-CB 3.96Å; I620-Y644 HydrophobicContact CD1-CD1 3.46Å; I620-Y644 VanDerWaalsContact CD1-CD1 3.46Å; I620-Y644 HydrophobicContact CD1-CD2 3.94Å; I620-Y644 HydrophobicContact CD1-CE1 3.62Å; I620-Y644 HydrophobicContact CD1-CE2 4.11Å; I620-Y644 HydrophobicContact CD1-CG 3.61Å; I620-Y644 HydrophobicContact CG1-CD1 4.28Å; I620-Y644 HydrophobicContact CG1-CD2 4.24Å; I620-Y644 HydrophobicContact CG1-CE1 3.98Å; I620-Y644 HydrophobicContact CG1-CE2 3.99Å; I620-Y644 HydrophobicContact CG1-CG 4.38Å; I620-V655 HydrophobicContact CD1-CG1 3.75Å
621	V	93.7	Very high	90.8	Very high	56 Å²	56	40.3 Å²	40.3	34%	0.339	22%	0.222	S	C	.	.			trans	-93.5	115.6	168.6	-179.3	0	0	0	0	108.8	G623 D637 Q638	V621-G623 PolarHBondContact O-N 2.84Å; V621-G623 VanDerWaalsContact O-N 3.14Å; V621-D637 PolarHBondContact N-OD1 2.93Å; V621-D637 WeakPolarHBondContact O-CA 3.38Å; V621-Q638 HydrophobicContact CG1-CB 4.25Å; V621-Q638 PolarHBondContact O-N 3.07Å
622	P	94	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	111.1	-172.4	26.3	-32.8	0	0	0	112	T592 P594 D597 V599 P614 L635	T592-P622 HydrophobicContact CG2-CB 4.18Å; P594-P622 WeakPolarHBondContact CG-O 3.41Å; D597-P622 WeakPolarHBondContact OD1-CD 3.31Å; V599-P622 HydrophobicContact CG2-CB 4.04Å; P614-P622 HydrophobicContact CG-CB 4.16Å; P614-P622 HydrophobicContact CG-CG 4.04Å; P622-L635 HydrophobicContact CB-CD1 4.22Å; P622-L635 HydrophobicContact CB-CD2 4.29Å
623	G	91.8	Very high	90.6	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-126.4	171.8	0	0	0	0	0	112	F579 T592 V621 L636	F579-G623 WeakPolarHBondContact CD2-O 3.3Å; T592-G623 WeakPolarHBondContact CG2-O 3.41Å; T592-G623 PolarHBondContact OG1-O 2.62Å; V621-G623 PolarHBondContact O-N 2.84Å; V621-G623 VanDerWaalsContact O-N 3.14Å; G623-L636 WeakPolarHBondContact CA-O 3.24Å; G623-L636 PolarHBondContact N-O 2.85Å
624	H	91.9	Very high	90.5	Very high	11 Å²	11	35 Å²	35	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	147.1	-179.9	-164	-104.1	0	0	0	112.6	Y419 F579 I626 L636 I675	Y419-H624 AromaticContact CZ-NE2 3.9Å; Y419-H624 PolarHBondContact OH-NE2 3.33Å; F579-H624 AromaticContact CD1-CD2 3.42Å; F579-H624 VanDerWaalsContact CD1-CD2 3.42Å; F579-H624 WeakPolarHBondContact CD1-CD2 3.46Å; F579-H624 AromaticContact CE1-CD2 3.77Å; F579-H624 AromaticContact CG-CD2 3.83Å; H624-I626 VanDerWaalsContact CE1-CG2 3.49Å; H624-I626 WeakPolarHBondContact CE1-CG2 3.13Å; H624-L636 HydrophobicContact CB-CB 4.14Å; H624-L636 HydrophobicContact CB-CD2 4.03Å; H624-L636 PolarHBondContact O-N 2.94Å; H624-I675 HydrophobicContact CB-CG1 4.44Å; H624-I675 PolarHBondContact CE1-O 2.97Å; H624-I675 VanDerWaalsContact ND1-CG1 3.25Å; H624-I675 WeakPolarHBondContact ND1-CG1 3.4Å; H624-I675 PolarHBondContact ND1-O 3.49Å
625	I	95.5	Very high	90.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	139.6	-179.7	-161.6	173.2	0	0	0	111.2	F579 W590 T592 I633 I634 L635	F579-I625 HydrophobicContact CB-CG2 4.18Å; F579-I625 WeakPolarHBondContact O-CG2 3.49Å; W590-I625 HydrophobicContact CB-CD1 4.03Å; T592-I625 HydrophobicContact CG2-CB 3.8Å; T592-I625 HydrophobicContact CG2-CD1 4.15Å; T592-I625 HydrophobicContact CG2-CG2 3.9Å; I625-I633 HydrophobicContact CD1-CG2 3.79Å; I625-I633 HydrophobicContact CG1-CG2 3.88Å; I625-I634 WeakPolarHBondContact CA-O 3.44Å; I625-L635 HydrophobicContact CB-CD1 4.17Å; I625-L635 HydrophobicContact CD1-CD1 4.42Å; I625-L635 HydrophobicContact CG1-CD1 4.31Å
626	I	94	Very high	90.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.2	-179.5	59.3	170.1	0	0	0	113.1	C581 H624 T628 I633 I634 I675 P677 I765	C581-I626 VanDerWaalsContact SG-C 3.58Å; H624-I626 VanDerWaalsContact CE1-CG2 3.49Å; H624-I626 WeakPolarHBondContact CE1-CG2 3.13Å; I626-T628 HydrophobicContact CD1-CG2 4.47Å; I626-I633 WeakPolarHBondContact O-CA 3.37Å; I626-I634 HydrophobicContact CD1-CB 4.32Å; I626-I634 HydrophobicContact CG1-CB 3.86Å; I626-I634 HydrophobicContact CG1-CG1 4.46Å; I626-I634 PolarHBondContact N-O 2.88Å; I626-I634 PolarHBondContact O-N 3.36Å; I626-I675 HydrophobicContact CD1-CB 4.13Å; I626-I675 HydrophobicContact CD1-CD1 3.8Å; I626-I675 HydrophobicContact CD1-CG1 3.9Å; I626-I675 HydrophobicContact CG1-CD1 3.79Å; I626-I675 HydrophobicContact CG1-CG1 4.15Å; I626-I675 HydrophobicContact CG2-CG1 4.13Å; I626-P677 HydrophobicContact CD1-CB 4.48Å; I626-I765 HydrophobicContact CD1-CG2 3.85Å
627	Y	92.2	Very high	90.9	Very high	19 Å²	19	26.5 Å²	26.5	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.9	168.8	-167.5	-118.7	0	0	0	111.1	L582 A583 K584 N585 R632 I633 P677 Y679	L582-Y627 VanDerWaalsContact O-CD1 3.29Å; L582-Y627 WeakPolarHBondContact O-CD1 3.36Å; A583-Y627 HydrophobicContact CB-CD2 4.08Å; A583-Y627 HydrophobicContact CB-CE2 3.95Å; K584-Y627 HydrophobicContact CB-CE1 4.31Å; N585-Y627 PolarHBondContact ND2-OH 3.41Å; Y627-R632 CarbonylContact C-O 3.51Å; Y627-R632 WeakPolarHBondContact CA-O 3.19Å; Y627-I633 HydrophobicContact CD2-CG1 3.77Å; Y627-I633 HydrophobicContact CE2-CG1 4.17Å; Y627-P677 WeakPolarHBondContact O-CB 3.22Å; Y627-P677 WeakPolarHBondContact O-CG 3.39Å; Y627-Y679 PolarHBondContact O-OH 3.48Å
628	T	88.1	Confident	90.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.148	C	C	.	.			trans	-80.8	153.2	-179	62	0	0	0	0	112.7	I626 D630 N631 R632 I634 P677 I765	I626-T628 HydrophobicContact CD1-CG2 4.47Å; T628-D630 WeakPolarHBondContact CB-OD1 3.31Å; T628-D630 PolarHBondContact O-N 2.91Å; T628-D630 PolarHBondContact OG1-OD1 2.79Å; T628-N631 WeakPolarHBondContact O-CA 3.33Å; T628-N631 PolarHBondContact O-N 3.39Å; T628-R632 PolarHBondContact N-O 3.15Å; T628-R632 WeakPolarHBondContact OG1-CB 3.17Å; T628-R632 PolarHBondContact OG1-N 3.34Å; T628-R632 VanDerWaalsContact OG1-N 3.08Å; T628-R632 PolarHBondContact OG1-O 2.93Å; T628-I634 HydrophobicContact CG2-CG1 3.79Å; T628-P677 HydrophobicContact CG2-CB 4.4Å; T628-I765 HydrophobicContact CG2-CG1 3.93Å
629	S	79.4	Confident	90.8	Very high	45 Å²	45	27.7 Å²	27.7	32%	0.315	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-1.3	176.5	93.3	0	0	0	0	114.3	G763	S629-G763 WeakPolarHBondContact OG-CA 3.43Å; S629-G763 PolarHBondContact OG-N 3.38Å
630	D	78.2	Confident	90.6	Very high	44 Å²	44	24.2 Å²	24.2	24%	0.235	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	19.5	167.2	82.2	-36	0	0	0	112.8	T628 R632	T628-D630 WeakPolarHBondContact CB-OD1 3.31Å; T628-D630 PolarHBondContact O-N 2.91Å; T628-D630 PolarHBondContact OG1-OD1 2.79Å; D630-R632 IonicContact OD1-NE 2.75Å; D630-R632 PolarHBondContact OD1-NE 3.02Å; D630-R632 IonicContact OD2-CZ 2.67Å; D630-R632 IonicContact OD2-NE 2.71Å; D630-R632 PolarHBondContact OD2-NE 2.95Å; D630-R632 IonicContact OD2-NH2 2.85Å; D630-R632 PolarHBondContact OD2-NH2 3.49Å
631	N	85	Confident	90.3	Very high	89 Å²	89	27.6 Å²	27.6	48%	0.476	15%	0.147	S	C	.	.	S	Bend	trans	69.6	42.9	169.7	-44.6	-65.6	0	0	0	115.1	N585 T628	N585-N631 PolarHBondContact ND2-OD1 3.29Å; T628-N631 WeakPolarHBondContact O-CA 3.33Å; T628-N631 PolarHBondContact O-N 3.39Å
632	R	88.6	Confident	90.2	Very high	14 Å²	14	25.7 Å²	25.7	5%	0.053	14%	0.135	C	C	.	.			trans	-117.3	144.6	174.5	-48.7	-178.1	-157.2	-150.4	3.9	111.1	N322 Y627 T628 D630 I634 W645 P778	N322-R632 PolarHBondContact O-NH1 2.89Å; Y627-R632 CarbonylContact C-O 3.51Å; Y627-R632 WeakPolarHBondContact CA-O 3.19Å; T628-R632 PolarHBondContact N-O 3.15Å; T628-R632 WeakPolarHBondContact OG1-CB 3.17Å; T628-R632 PolarHBondContact OG1-N 3.34Å; T628-R632 VanDerWaalsContact OG1-N 3.08Å; T628-R632 PolarHBondContact OG1-O 2.93Å; D630-R632 IonicContact OD1-NE 2.75Å; D630-R632 PolarHBondContact OD1-NE 3.02Å; D630-R632 IonicContact OD2-CZ 2.67Å; D630-R632 IonicContact OD2-NE 2.71Å; D630-R632 PolarHBondContact OD2-NE 2.95Å; D630-R632 IonicContact OD2-NH2 2.85Å; D630-R632 PolarHBondContact OD2-NH2 3.49Å; R632-I634 HydrophobicContact CB-CD1 3.89Å; R632-W645 HydrophobicContact CB-CD2 4.46Å; R632-W645 HydrophobicContact CB-CG 4.33Å; R632-W645 HydrophobicContact CG-CD2 4.25Å; R632-W645 HydrophobicContact CG-CH2 4.5Å; R632-W645 HydrophobicContact CG-CZ2 3.86Å; R632-P778 VanDerWaalsContact NH2-CB 3.26Å; R632-P778 VanDerWaalsContact NH2-CG 3.33Å
633	I	94	Very high	90.2	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.015	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.3	168	-59	148.8	0	0	0	107.3	A583 W590 I625 I626 Y627 W645 I646	A583-I633 HydrophobicContact CB-CD1 4.11Å; A583-I633 HydrophobicContact CB-CG1 4.29Å; W590-I633 HydrophobicContact CD2-CD1 3.68Å; W590-I633 HydrophobicContact CD2-CG2 4.41Å; W590-I633 HydrophobicContact CE3-CD1 4.33Å; W590-I633 HydrophobicContact CE3-CG2 4.33Å; W590-I633 HydrophobicContact CG-CD1 3.97Å; W590-I633 HydrophobicContact CH2-CD1 4.3Å; W590-I633 HydrophobicContact CZ2-CD1 3.65Å; I625-I633 HydrophobicContact CD1-CG2 3.79Å; I625-I633 HydrophobicContact CG1-CG2 3.88Å; I626-I633 WeakPolarHBondContact O-CA 3.37Å; Y627-I633 HydrophobicContact CD2-CG1 3.77Å; Y627-I633 HydrophobicContact CE2-CG1 4.17Å; I633-W645 WeakPolarHBondContact O-CA 3.42Å; I633-I646 PolarHBondContact O-N 2.97Å
634	I	94.6	Very high	90.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124.9	179	-50.4	-56.9	0	0	0	108.8	I625 I626 T628 R632 L643 Y644 W645 L658 I675 I765	I625-I634 WeakPolarHBondContact CA-O 3.44Å; I626-I634 HydrophobicContact CD1-CB 4.32Å; I626-I634 HydrophobicContact CG1-CB 3.86Å; I626-I634 HydrophobicContact CG1-CG1 4.46Å; I626-I634 PolarHBondContact N-O 2.88Å; I626-I634 PolarHBondContact O-N 3.36Å; T628-I634 HydrophobicContact CG2-CG1 3.79Å; R632-I634 HydrophobicContact CB-CD1 3.89Å; I634-L643 HydrophobicContact CG2-CB 4.25Å; I634-Y644 CarbonylContact C-O 3.55Å; I634-Y644 WeakPolarHBondContact CA-O 3.45Å; I634-W645 HydrophobicContact CD1-CB 3.92Å; I634-W645 HydrophobicContact CD1-CG 4.3Å; I634-L658 HydrophobicContact CD1-CD1 4.1Å; I634-L658 HydrophobicContact CG2-CD1 4.45Å; I634-I675 HydrophobicContact CG2-CD1 4.09Å; I634-I765 HydrophobicContact CD1-CD1 4.31Å; I634-I765 HydrophobicContact CG1-CD1 3.9Å; I634-I765 HydrophobicContact CG1-CG1 4.44Å; I634-I765 HydrophobicContact CG2-CD1 4.22Å
635	L	95.4	Very high	90.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.5	172.1	-175.8	68.6	0	0	0	109.4	T592 V599 I620 P622 I625 Y644 I646	T592-L635 HydrophobicContact CG2-CD1 3.55Å; V599-L635 HydrophobicContact CG2-CD2 4.31Å; I620-L635 HydrophobicContact CG2-CD2 3.86Å; P622-L635 HydrophobicContact CB-CD1 4.22Å; P622-L635 HydrophobicContact CB-CD2 4.29Å; I625-L635 HydrophobicContact CB-CD1 4.17Å; I625-L635 HydrophobicContact CD1-CD1 4.42Å; I625-L635 HydrophobicContact CG1-CD1 4.31Å; L635-Y644 PolarHBondContact N-O 3.36Å; L635-Y644 PolarHBondContact O-N 3.45Å; L635-I646 HydrophobicContact CB-CD1 3.72Å; L635-I646 HydrophobicContact CB-CG1 4.26Å; L635-I646 HydrophobicContact CD2-CD1 3.54Å; L635-I646 HydrophobicContact CG-CD1 4.27Å
636	L	94.1	Very high	90.3	Very high	10 Å²	10	27.5 Å²	27.5	5%	0.052	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.3	165.9	173.8	62.7	0	0	0	109.2	G623 H624 Q638 L643 I672 I675	G623-L636 WeakPolarHBondContact CA-O 3.24Å; G623-L636 PolarHBondContact N-O 2.85Å; H624-L636 HydrophobicContact CB-CB 4.14Å; H624-L636 HydrophobicContact CB-CD2 4.03Å; H624-L636 PolarHBondContact O-N 2.94Å; L636-Q638 PolarHBondContact O-N 3.04Å; L636-L643 HydrophobicContact CB-CD2 4.26Å; L636-L643 HydrophobicContact CD1-CD2 3.76Å; L636-I672 HydrophobicContact CD1-CB 4.03Å; L636-I672 HydrophobicContact CD1-CG2 3.95Å; L636-I672 HydrophobicContact CD2-CG2 4.29Å; L636-I675 HydrophobicContact CB-CD1 4.13Å
637	D	93.3	Very high	90.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.9	166.2	-173.5	-30.5	0	0	0	109.2	I620 V621 S639 N640 Y641 D642 Y644	I620-D637 HydrophobicContact CG2-CB 3.96Å; V621-D637 PolarHBondContact N-OD1 2.93Å; V621-D637 WeakPolarHBondContact O-CA 3.38Å; D637-S639 PolarHBondContact O-N 2.97Å; D637-S639 WeakPolarHBondContact OD1-CA 3.43Å; D637-S639 WeakPolarHBondContact OD1-CB 3.29Å; D637-S639 PolarHBondContact OD1-N 3.37Å; D637-S639 PolarHBondContact OD1-OG 2.94Å; D637-N640 HydrophobicContact CB-CB 4.13Å; D637-N640 PolarHBondContact OD1-N 3.43Å; D637-N640 WeakPolarHBondContact OD2-CB 3.36Å; D637-N640 PolarHBondContact OD2-ND2 3.33Å; D637-Y641 VanDerWaalsContact O-CA 3.26Å; D637-Y641 WeakPolarHBondContact O-CA 3.23Å; D637-Y641 PolarHBondContact O-N 3.04Å; D637-D642 HydrophobicContact CB-CB 4.46Å; D637-D642 PolarHBondContact N-O 3.44Å; D637-Y644 HydrophobicContact CB-CD2 4.33Å; D637-Y644 HydrophobicContact CB-CE2 3.99Å
638	Q	87.7	Confident	90	Very high	102 Å²	102	31 Å²	31	48%	0.477	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26	-178.9	-174	173.2	-8	0	0	113	V621 L636	V621-Q638 HydrophobicContact CG1-CB 4.25Å; V621-Q638 PolarHBondContact O-N 3.07Å; L636-Q638 PolarHBondContact O-N 3.04Å
639	S	89.1	Confident	89.7	Confident	59 Å²	59	32.1 Å²	32.1	41%	0.413	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-39.8	-179.3	72.2	0	0	0	0	112.5	D637	D637-S639 PolarHBondContact O-N 2.97Å; D637-S639 WeakPolarHBondContact OD1-CA 3.43Å; D637-S639 WeakPolarHBondContact OD1-CB 3.29Å; D637-S639 PolarHBondContact OD1-N 3.37Å; D637-S639 PolarHBondContact OD1-OG 2.94Å
640	N	88.6	Confident	89.5	Confident	50 Å²	50	35.2 Å²	35.2	27%	0.267	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-14.8	-176.9	-71.2	-63.9	0	0	0	114.2	D637 D642 K669	D637-N640 HydrophobicContact CB-CB 4.13Å; D637-N640 PolarHBondContact OD1-N 3.43Å; D637-N640 WeakPolarHBondContact OD2-CB 3.36Å; D637-N640 PolarHBondContact OD2-ND2 3.33Å; N640-D642 HydrophobicContact CB-CB 4.14Å; N640-D642 PolarHBondContact O-N 3.05Å; N640-K669 WeakPolarHBondContact O-CE 3.32Å; N640-K669 PolarHBondContact O-NZ 3.31Å
641	Y	88	Confident	89.4	Confident	71 Å²	71	42.1 Å²	42.1	28%	0.278	20%	0.2	S	C	.	.			trans	57.9	27.1	-171.5	-45.3	-75.4	0	0	0	113.3	D637 Y660 Q671 I672	D637-Y641 VanDerWaalsContact O-CA 3.26Å; D637-Y641 WeakPolarHBondContact O-CA 3.23Å; D637-Y641 PolarHBondContact O-N 3.04Å; Y641-Y660 PolarHBondContact O-OH 2.89Å; Y641-Q671 HydrophobicContact CD1-CB 3.99Å; Y641-Q671 HydrophobicContact CD1-CG 4.42Å; Y641-Q671 HydrophobicContact CD2-CB 4.2Å; Y641-Q671 HydrophobicContact CD2-CG 3.82Å; Y641-Q671 HydrophobicContact CE1-CB 4.06Å; Y641-Q671 HydrophobicContact CE1-CG 4.27Å; Y641-Q671 HydrophobicContact CE2-CB 4.28Å; Y641-Q671 HydrophobicContact CE2-CG 3.66Å; Y641-Q671 HydrophobicContact CG-CB 4.05Å; Y641-Q671 HydrophobicContact CG-CG 4.2Å; Y641-Q671 PolarHBondContact OH-NE2 2.97Å; Y641-Q671 VanDerWaalsContact OH-NE2 3.12Å; Y641-I672 WeakPolarHBondContact CD1-O 3.49Å
642	D	90.5	Very high	89	Confident	16 Å²	16	39.9 Å²	39.9	9%	0.086	19%	0.194	C	C	.	.			trans	-100	152.3	-178.9	-94.7	-67.3	0	0	0	110.9	D637 N640 Y644 R657	D637-D642 HydrophobicContact CB-CB 4.46Å; D637-D642 PolarHBondContact N-O 3.44Å; N640-D642 HydrophobicContact CB-CB 4.14Å; N640-D642 PolarHBondContact O-N 3.05Å; D642-Y644 HydrophobicContact CB-CD2 4.42Å; D642-Y644 HydrophobicContact CB-CE2 3.72Å; D642-R657 VanDerWaalsContact CG-NE 3.35Å; D642-R657 IonicContact OD1-CZ 2.67Å; D642-R657 IonicContact OD1-NE 3.74Å; D642-R657 PolarHBondContact OD1-NE 2.98Å; D642-R657 IonicContact OD1-NH2 3.32Å; D642-R657 PolarHBondContact OD1-NH2 3.26Å; D642-R657 IonicContact OD2-CZ 3.5Å; D642-R657 IonicContact OD2-NE 2.72Å; D642-R657 IonicContact OD2-NH2 3.63Å; D642-R657 PolarHBondContact OD2-NH2 3.28Å
643	L	93.3	Very high	89	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.2	-179.5	-57.3	-178.5	0	0	0	110.7	I634 L636 L658 Y660 I672 I675	I634-L643 HydrophobicContact CG2-CB 4.25Å; L636-L643 HydrophobicContact CB-CD2 4.26Å; L636-L643 HydrophobicContact CD1-CD2 3.76Å; L643-L658 HydrophobicContact CB-CB 4.26Å; L643-L658 HydrophobicContact CB-CD1 4.08Å; L643-L658 HydrophobicContact CB-CG 4.3Å; L643-L658 PolarHBondContact O-N 3.05Å; L643-Y660 HydrophobicContact CB-CE1 4.05Å; L643-Y660 HydrophobicContact CD1-CE1 4.11Å; L643-Y660 HydrophobicContact CG-CE1 4.01Å; L643-I672 HydrophobicContact CD1-CD1 4.11Å; L643-I672 HydrophobicContact CD2-CD1 4.14Å; L643-I672 HydrophobicContact CG-CD1 3.98Å; L643-I675 HydrophobicContact CD2-CD1 4.12Å; L643-I675 HydrophobicContact CD2-CG2 3.82Å
644	Y	94.6	Very high	88.8	Confident	32 Å²	32	41.8 Å²	41.8	13%	0.125	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.3	-179.3	-70.1	-98.2	0	0	0	110.4	I620 I634 L635 D637 D642 V655 R657	I620-Y644 HydrophobicContact CD1-CD1 3.46Å; I620-Y644 VanDerWaalsContact CD1-CD1 3.46Å; I620-Y644 HydrophobicContact CD1-CD2 3.94Å; I620-Y644 HydrophobicContact CD1-CE1 3.62Å; I620-Y644 HydrophobicContact CD1-CE2 4.11Å; I620-Y644 HydrophobicContact CD1-CG 3.61Å; I620-Y644 HydrophobicContact CG1-CD1 4.28Å; I620-Y644 HydrophobicContact CG1-CD2 4.24Å; I620-Y644 HydrophobicContact CG1-CE1 3.98Å; I620-Y644 HydrophobicContact CG1-CE2 3.99Å; I620-Y644 HydrophobicContact CG1-CG 4.38Å; I634-Y644 CarbonylContact C-O 3.55Å; I634-Y644 WeakPolarHBondContact CA-O 3.45Å; L635-Y644 PolarHBondContact N-O 3.36Å; L635-Y644 PolarHBondContact O-N 3.45Å; D637-Y644 HydrophobicContact CB-CD2 4.33Å; D637-Y644 HydrophobicContact CB-CE2 3.99Å; D642-Y644 HydrophobicContact CB-CD2 4.42Å; D642-Y644 HydrophobicContact CB-CE2 3.72Å; Y644-V655 HydrophobicContact CD1-CG1 3.71Å; Y644-V655 HydrophobicContact CG-CG1 4.35Å; Y644-R657 HydrophobicContact CD1-CB 3.87Å; Y644-R657 HydrophobicContact CD1-CG 4.46Å; Y644-R657 HydrophobicContact CE1-CB 3.63Å; Y644-R657 HydrophobicContact CE1-CG 4.09Å
645	W	93.7	Very high	88.7	Confident	20 Å²	20	43.5 Å²	43.5	8%	0.076	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.2	166	175.8	13.3	0	0	0	108.7	M318 M319 N322 R632 I633 I634 V655 Q656 L658	M318-W645 HydrophobicContact CE-CH2 3.69Å; M318-W645 HydrophobicContact CE-CZ2 3.97Å; M318-W645 HydrophobicContact SD-CH2 3.86Å; M319-W645 HydrophobicContact CB-CE3 4.11Å; M319-W645 HydrophobicContact CB-CZ3 4.07Å; M319-W645 HydrophobicContact CE-CB 4.16Å; M319-W645 HydrophobicContact CE-CD2 3.74Å; M319-W645 HydrophobicContact CE-CE3 4.32Å; M319-W645 HydrophobicContact CE-CG 3.65Å; M319-W645 VanDerWaalsContact CE-O 3.28Å; M319-W645 WeakPolarHBondContact CE-O 3.48Å; M319-W645 HydrophobicContact CG-CD2 4.18Å; M319-W645 HydrophobicContact CG-CE3 4.04Å; M319-W645 HydrophobicContact CG-CH2 4.07Å; M319-W645 HydrophobicContact CG-CZ2 4.18Å; M319-W645 HydrophobicContact CG-CZ3 3.98Å; N322-W645 HydrophobicContact CB-CH2 4.36Å; N322-W645 HydrophobicContact CB-CZ3 3.83Å; R632-W645 HydrophobicContact CB-CD2 4.46Å; R632-W645 HydrophobicContact CB-CG 4.33Å; R632-W645 HydrophobicContact CG-CD2 4.25Å; R632-W645 HydrophobicContact CG-CH2 4.5Å; R632-W645 HydrophobicContact CG-CZ2 3.86Å; I633-W645 WeakPolarHBondContact O-CA 3.42Å; I634-W645 HydrophobicContact CD1-CB 3.92Å; I634-W645 HydrophobicContact CD1-CG 4.3Å; W645-V655 WeakPolarHBondContact O-CA 3.42Å; W645-Q656 PolarHBondContact N-O 2.69Å; W645-Q656 PolarHBondContact O-N 2.69Å; W645-L658 HydrophobicContact CB-CD2 3.84Å
646	I	94	Very high	88.5	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.4	177.3	-54.9	-167.4	0	0	0	109.4	W590 F612 I633 L635 I653 C654 V655	W590-I646 HydrophobicContact CH2-CG2 4.02Å; W590-I646 HydrophobicContact CZ3-CG2 3.71Å; F612-I646 HydrophobicContact CZ-CG2 4.28Å; I633-I646 PolarHBondContact O-N 2.97Å; L635-I646 HydrophobicContact CB-CD1 3.72Å; L635-I646 HydrophobicContact CB-CG1 4.26Å; L635-I646 HydrophobicContact CD2-CD1 3.54Å; L635-I646 HydrophobicContact CG-CD1 4.27Å; I646-I653 HydrophobicContact CG2-CG2 3.73Å; I646-C654 WeakPolarHBondContact CA-O 3.46Å; I646-V655 HydrophobicContact CD1-CG2 4.23Å; I646-V655 HydrophobicContact CG1-CG1 4.26Å; I646-V655 HydrophobicContact CG1-CG2 4.02Å; I646-V655 HydrophobicContact CG2-CG2 4.23Å
647	T	91.2	Very high	88.5	Confident	22 Å²	22	49.4 Å²	49.4	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	153.3	175.3	-174.4	0	0	0	0	110.5	L315 M319 C654	L315-T647 HydrophobicContact CD2-CG2 3.47Å; L315-T647 VanDerWaalsContact CD2-CG2 3.47Å; M319-T647 HydrophobicContact CE-CG2 3.6Å; M319-T647 HydrophobicContact SD-CG2 3.53Å; M319-T647 VanDerWaalsContact SD-CG2 3.53Å; T647-C654 HydrophobicContact CG2-CB 3.94Å; T647-C654 PolarHBondContact N-O 2.97Å; T647-C654 PolarHBondContact O-N 3.36Å
648	R	87.8	Confident	88.3	Confident	71 Å²	71	49.5 Å²	49.5	27%	0.268	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.2	179.1	178.7	179.4	174.9	-179.9	2.2	110.7	W590 E650 I653	W590-R648 HydrophobicContact CH2-CB 4.13Å; W590-R648 HydrophobicContact CZ2-CB 3.92Å; R648-E650 PolarHBondContact NE-O 2.97Å; R648-E650 PolarHBondContact NH2-O 3.05Å; R648-I653 HydrophobicContact CB-CD1 3.98Å; R648-I653 HydrophobicContact CG-CD1 4.08Å
649	I	82.3	Confident	88.2	Confident	25 Å²	25	51 Å²	51	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	104.9	174.6	-50.3	170.8	0	0	0	107.4	A312 L315 K651 A652 C654	A312-I649 HydrophobicContact CB-CD1 4.1Å; L315-I649 HydrophobicContact CB-CD1 3.62Å; L315-I649 HydrophobicContact CD2-CD1 3.46Å; L315-I649 VanDerWaalsContact CD2-CD1 3.46Å; L315-I649 HydrophobicContact CD2-CG1 3.72Å; L315-I649 HydrophobicContact CG-CD1 4.16Å; I649-K651 PolarHBondContact O-N 2.72Å; I649-A652 PolarHBondContact N-O 2.85Å; I649-A652 PolarHBondContact O-N 2.92Å; I649-C654 HydrophobicContact CD1-CB 4.37Å; I649-C654 VanDerWaalsContact CD1-SG 3.52Å
650	E	76.3	Confident	87.9	Confident	109 Å²	109	50.6 Å²	50.6	51%	0.509	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-100.2	-173.4	-57.1	177.9	177.8	0	0	112.8	S308 R648	S308-E650 WeakPolarHBondContact CB-OE2 2.96Å; S308-E650 PolarHBondContact OG-OE1 2.84Å; S308-E650 PolarHBondContact OG-OE2 3.22Å; R648-E650 PolarHBondContact NE-O 2.97Å; R648-E650 PolarHBondContact NH2-O 3.05Å
651	K	74.5	Confident	87.2	Confident	189 Å²	189	54.5 Å²	54.5	82%	0.822	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-6.9	177.4	-62	-172.7	178.6	-174.6	0	113.8	I649	I649-K651 PolarHBondContact O-N 2.72Å
652	A	77.5	Confident	86.3	Confident	43 Å²	43	51.5 Å²	51.5	36%	0.355	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147.9	-179.5	0	0	0	0	0	112	I649	I649-A652 PolarHBondContact N-O 2.85Å; I649-A652 PolarHBondContact O-N 2.92Å
653	I	89.5	Confident	84.8	Confident	39 Å²	39	53.2 Å²	53.2	20%	0.2	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125	168.7	-57.1	-61.4	0	0	0	108	W590 I601 F612 F618 I646 R648 V655	W590-I653 HydrophobicContact CH2-CD1 4.24Å; I601-I653 HydrophobicContact CD1-CD1 3.85Å; F612-I653 HydrophobicContact CD1-CD1 4.25Å; F612-I653 HydrophobicContact CD1-CG1 3.97Å; F612-I653 HydrophobicContact CE1-CD1 4.12Å; F612-I653 HydrophobicContact CE1-CG1 4.09Å; F612-I653 HydrophobicContact CE1-CG2 4.25Å; F612-I653 HydrophobicContact CE2-CG2 4.2Å; F612-I653 HydrophobicContact CG-CG1 4.32Å; F612-I653 HydrophobicContact CZ-CG2 3.93Å; F618-I653 HydrophobicContact CE2-CB 4.47Å; F618-I653 HydrophobicContact CE2-CG2 4.05Å; F618-I653 HydrophobicContact CZ-CB 4.16Å; F618-I653 HydrophobicContact CZ-CG2 4.03Å; I646-I653 HydrophobicContact CG2-CG2 3.73Å; R648-I653 HydrophobicContact CB-CD1 3.98Å; R648-I653 HydrophobicContact CG-CD1 4.08Å; I653-V655 HydrophobicContact CG2-CG2 3.98Å
654	C	89.5	Confident	83	Confident	18 Å²	18	54.8 Å²	54.8	12%	0.122	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134	174	-69.1	0	0	0	0	110.1	M319 I646 T647 I649	M319-C654 HydrophobicContact SD-CB 3.9Å; I646-C654 WeakPolarHBondContact CA-O 3.46Å; T647-C654 HydrophobicContact CG2-CB 3.94Å; T647-C654 PolarHBondContact N-O 2.97Å; T647-C654 PolarHBondContact O-N 3.36Å; I649-C654 HydrophobicContact CD1-CB 4.37Å; I649-C654 VanDerWaalsContact CD1-SG 3.52Å
655	V	91.6	Very high	81	Confident	36 Å²	36	62.8 Å²	62.8	22%	0.218	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.8	-175.2	179.5	0	0	0	0	109.6	F618 I620 Y644 W645 I646 I653	F618-V655 HydrophobicContact CD1-CB 3.99Å; F618-V655 HydrophobicContact CD1-CG2 3.9Å; F618-V655 HydrophobicContact CD2-CG2 3.71Å; F618-V655 HydrophobicContact CE1-CB 4.07Å; F618-V655 HydrophobicContact CE1-CG2 3.71Å; F618-V655 HydrophobicContact CE2-CG2 3.51Å; F618-V655 HydrophobicContact CG-CB 4.23Å; F618-V655 HydrophobicContact CG-CG1 4.46Å; F618-V655 HydrophobicContact CG-CG2 3.91Å; F618-V655 HydrophobicContact CZ-CB 4.38Å; F618-V655 HydrophobicContact CZ-CG2 3.52Å; I620-V655 HydrophobicContact CD1-CG1 3.75Å; Y644-V655 HydrophobicContact CD1-CG1 3.71Å; Y644-V655 HydrophobicContact CG-CG1 4.35Å; W645-V655 WeakPolarHBondContact O-CA 3.42Å; I646-V655 HydrophobicContact CD1-CG2 4.23Å; I646-V655 HydrophobicContact CG1-CG1 4.26Å; I646-V655 HydrophobicContact CG1-CG2 4.02Å; I646-V655 HydrophobicContact CG2-CG2 4.23Å; I653-V655 HydrophobicContact CG2-CG2 3.98Å
656	Q	92.4	Very high	79.1	Confident	29 Å²	29	66.7 Å²	66.7	14%	0.136	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	117.2	179.7	175.8	59	71.9	0	0	110.1	M319 W645 L658	M319-Q656 HydrophobicContact CB-CB 3.93Å; M319-Q656 HydrophobicContact CB-CG 4.1Å; M319-Q656 HydrophobicContact CE-CB 3.96Å; W645-Q656 PolarHBondContact N-O 2.69Å; W645-Q656 PolarHBondContact O-N 2.69Å; Q656-L658 PolarHBondContact O-N 3.08Å
657	R	92.4	Very high	77.1	Confident	104 Å²	104	73.2 Å²	73.2	39%	0.392	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	135.9	169.8	-172.3	176.2	175.8	-173.7	2	109.8	D642 Y644	D642-R657 VanDerWaalsContact CG-NE 3.35Å; D642-R657 IonicContact OD1-CZ 2.67Å; D642-R657 IonicContact OD1-NE 3.74Å; D642-R657 PolarHBondContact OD1-NE 2.98Å; D642-R657 IonicContact OD1-NH2 3.32Å; D642-R657 PolarHBondContact OD1-NH2 3.26Å; D642-R657 IonicContact OD2-CZ 3.5Å; D642-R657 IonicContact OD2-NE 2.72Å; D642-R657 IonicContact OD2-NH2 3.63Å; D642-R657 PolarHBondContact OD2-NH2 3.28Å; Y644-R657 HydrophobicContact CD1-CB 3.87Å; Y644-R657 HydrophobicContact CD1-CG 4.46Å; Y644-R657 HydrophobicContact CE1-CB 3.63Å; Y644-R657 HydrophobicContact CE1-CG 4.09Å
658	L	90.6	Very high	75.7	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.01	40%	0.397	C	S	.	.			trans	-82.5	130	173.8	-59.1	-168.2	0	0	0	110.2	S323 F325 I634 L643 W645 Q656 Y660 I765	S323-L658 WeakPolarHBondContact O-CA 3.47Å; F325-L658 HydrophobicContact CD2-CB 4.47Å; F325-L658 HydrophobicContact CD2-CD1 4.31Å; F325-L658 HydrophobicContact CD2-CD2 4.19Å; F325-L658 HydrophobicContact CE1-CD1 4.17Å; F325-L658 HydrophobicContact CE2-CD1 3.88Å; F325-L658 HydrophobicContact CE2-CD2 3.53Å; F325-L658 HydrophobicContact CE2-CG 4.2Å; F325-L658 HydrophobicContact CZ-CD1 3.79Å; F325-L658 HydrophobicContact CZ-CD2 4.07Å; I634-L658 HydrophobicContact CD1-CD1 4.1Å; I634-L658 HydrophobicContact CG2-CD1 4.45Å; L643-L658 HydrophobicContact CB-CB 4.26Å; L643-L658 HydrophobicContact CB-CD1 4.08Å; L643-L658 HydrophobicContact CB-CG 4.3Å; L643-L658 PolarHBondContact O-N 3.05Å; W645-L658 HydrophobicContact CB-CD2 3.84Å; Q656-L658 PolarHBondContact O-N 3.08Å; L658-Y660 HydrophobicContact CB-CD1 4.21Å; L658-Y660 WeakPolarHBondContact O-CD1 3.43Å; L658-I765 HydrophobicContact CD1-CD1 3.75Å
659	Y	85.9	Confident	74.7	Confident	133 Å²	133	81.3 Å²	81.3	52%	0.522	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-96.5	107	175.2	-65	-75.4	0	0	0	109.8	S323 F325	S323-Y659 PolarHBondContact O-N 3.47Å; F325-Y659 PolarHBondContact N-O 2.78Å
660	Y	81.6	Confident	74.3	Confident	52 Å²	52	82 Å²	82	20%	0.204	41%	0.41	C	S	.	.			trans	-131.6	157.1	173.2	58.6	-85.8	0	0	0	109.1	Y641 L643 L658 I662 I672 I776	Y641-Y660 PolarHBondContact O-OH 2.89Å; L643-Y660 HydrophobicContact CB-CE1 4.05Å; L643-Y660 HydrophobicContact CD1-CE1 4.11Å; L643-Y660 HydrophobicContact CG-CE1 4.01Å; L658-Y660 HydrophobicContact CB-CD1 4.21Å; L658-Y660 WeakPolarHBondContact O-CD1 3.43Å; Y660-I662 HydrophobicContact CD2-CG1 4.15Å; Y660-I662 HydrophobicContact CE2-CD1 4.33Å; Y660-I662 HydrophobicContact CE2-CG1 4.43Å; Y660-I672 HydrophobicContact CE2-CD1 4.25Å; Y660-I672 VanDerWaalsContact OH-CD1 3.32Å; Y660-I672 WeakPolarHBondContact OH-CD1 3.44Å; Y660-I776 HydrophobicContact CD2-CD1 3.75Å; Y660-I776 HydrophobicContact CE2-CD1 4.16Å; Y660-I776 HydrophobicContact CG-CD1 3.99Å; Y660-I776 HydrophobicContact CG-CG2 4.3Å
661	N	74.1	Confident	74.5	Confident	132 Å²	132	80.6 Å²	80.6	71%	0.706	40%	0.404	S	S	*	.			trans	-135.6	112	174.9	-174.5	-9.4	0	0	0	109	V327 G663	V327-N661 WeakPolarHBondContact CG2-O 3.23Å; N661-G663 PolarHBondContact O-N 3.28Å
662	I	68.8	Low	74.9	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.041	37%	0.365	C	S	.	.			trans	-85.1	94.1	174.6	-52	172.4	0	0	0	107.3	V327 K330 Y660 S664 F670 T774	V327-I662 HydrophobicContact CG1-CG1 4.19Å; V327-I662 HydrophobicContact CG2-CG1 4.21Å; K330-I662 HydrophobicContact CB-CG2 4.34Å; K330-I662 HydrophobicContact CD-CG2 4.02Å; Y660-I662 HydrophobicContact CD2-CG1 4.15Å; Y660-I662 HydrophobicContact CE2-CD1 4.33Å; Y660-I662 HydrophobicContact CE2-CG1 4.43Å; I662-S664 PolarHBondContact O-N 3.33Å; I662-F670 HydrophobicContact CB-CD1 4.45Å; I662-F670 HydrophobicContact CB-CD2 4.49Å; I662-F670 HydrophobicContact CB-CE1 3.88Å; I662-F670 HydrophobicContact CB-CE2 3.94Å; I662-F670 HydrophobicContact CB-CZ 3.59Å; I662-F670 HydrophobicContact CD1-CD1 3.85Å; I662-F670 HydrophobicContact CD1-CE1 3.99Å; I662-F670 HydrophobicContact CD1-CG 4.23Å; I662-F670 HydrophobicContact CG2-CD1 4.41Å; I662-F670 HydrophobicContact CG2-CE1 3.49Å; I662-F670 VanDerWaalsContact CG2-CE1 3.49Å; I662-F670 HydrophobicContact CG2-CE2 4.22Å; I662-F670 HydrophobicContact CG2-CZ 3.36Å; I662-F670 WeakPolarHBondContact O-CE2 3.44Å; I662-T774 HydrophobicContact CD1-CG2 4.24Å; I662-T774 HydrophobicContact CG1-CG2 4.26Å; I662-T774 HydrophobicContact CG2-CG2 3.71Å
663	G	59.5	Low	75	Confident	51 Å²	51	72.3 Å²	72.3	53%	0.526	36%	0.361	S	S	.	.			trans	-63.2	87.4	-175.2	0	0	0	0	0	113.4	N661	N661-G663 PolarHBondContact O-N 3.28Å
664	S	56.1	Low	74.6	Confident	33 Å²	33	70.8 Å²	70.8	23%	0.231	35%	0.354	C	S	.	.			trans	-134	136.1	168	85.3	0	0	0	0	111.4	K330 I662 Q666 F670	K330-S664 PolarHBondContact NZ-OG 3.24Å; I662-S664 PolarHBondContact O-N 3.33Å; S664-Q666 PolarHBondContact O-N 2.99Å; S664-F670 WeakPolarHBondContact OG-CZ 3.43Å
665	H	51	Low	74.6	Confident	201 Å²	201	69.9 Å²	69.9	93%	0.931	35%	0.348	S	S	*	.	S	Bend	trans	-74	39.1	-175.5	-47.7	-86.3	0	0	0	113.7
666	Q	54.7	Low	74.4	Confident	102 Å²	102	68.8 Å²	68.8	48%	0.477	34%	0.341	S	S	.	.			trans	-113.5	134.5	175.3	-67.7	-162.3	5.6	0	0	110.5	S664 K668	S664-Q666 PolarHBondContact O-N 2.99Å; Q666-K668 PolarHBondContact O-N 2.94Å
667	P	51.8	Low	74.2	Confident	138 Å²	138	67.6 Å²	67.6	90%	0.896	34%	0.336	S	S	*	.			trans	-78	-0.7	-178.4	32.8	-37.2	0	0	0	113.8
668	K	61.8	Low	73.6	Confident	146 Å²	146	63 Å²	63	64%	0.635	32%	0.319	S	S	*	.	S	Bend	trans	-86.6	133.1	-178.5	-69.6	-174.1	177.8	-173.8	0	110.6	Q666 F670 Y771	Q666-K668 PolarHBondContact O-N 2.94Å; K668-F670 PolarHBondContact O-N 3.22Å; K668-Y771 WeakPolarHBondContact CB-OH 3.2Å; K668-Y771 WeakPolarHBondContact CD-OH 3.11Å
669	K	67.8	Low	72.7	Confident	118 Å²	118	66 Å²	66	51%	0.513	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-55.7	133.8	175.4	-168.4	177.8	177.9	-177.3	0	110.4	N640 N770	N640-K669 WeakPolarHBondContact O-CE 3.32Å; N640-K669 PolarHBondContact O-NZ 3.31Å; K669-N770 PolarHBondContact O-ND2 2.72Å
670	F	72.3	Confident	71.4	Confident	40 Å²	40	61.1 Å²	61.1	18%	0.175	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-67.4	137.3	169.7	-77.7	-99.7	0	0	0	109.6	K330 I662 S664 K668 H769 Y771	K330-F670 HydrophobicContact CD-CE1 4.15Å; K330-F670 HydrophobicContact CD-CZ 4.38Å; I662-F670 HydrophobicContact CB-CD1 4.45Å; I662-F670 HydrophobicContact CB-CD2 4.49Å; I662-F670 HydrophobicContact CB-CE1 3.88Å; I662-F670 HydrophobicContact CB-CE2 3.94Å; I662-F670 HydrophobicContact CB-CZ 3.59Å; I662-F670 HydrophobicContact CD1-CD1 3.85Å; I662-F670 HydrophobicContact CD1-CE1 3.99Å; I662-F670 HydrophobicContact CD1-CG 4.23Å; I662-F670 HydrophobicContact CG2-CD1 4.41Å; I662-F670 HydrophobicContact CG2-CE1 3.49Å; I662-F670 VanDerWaalsContact CG2-CE1 3.49Å; I662-F670 HydrophobicContact CG2-CE2 4.22Å; I662-F670 HydrophobicContact CG2-CZ 3.36Å; I662-F670 WeakPolarHBondContact O-CE2 3.44Å; S664-F670 WeakPolarHBondContact OG-CZ 3.43Å; K668-F670 PolarHBondContact O-N 3.22Å; F670-H769 HydrophobicContact CD1-CB 4.33Å; F670-H769 AromaticContact CD1-CE1 3.95Å; F670-H769 AromaticContact CD1-CG 3.77Å; F670-H769 AromaticContact CD1-ND1 3.62Å; F670-H769 AromaticContact CE1-CE1 3.67Å; F670-H769 AromaticContact CE1-ND1 3.78Å; F670-H769 AromaticContact CE1-NE2 3.99Å; F670-Y771 AromaticContact CD1-CD2 3.85Å; F670-Y771 HydrophobicContact CD1-CD2 3.85Å; F670-Y771 AromaticContact CE1-CD2 3.92Å; F670-Y771 HydrophobicContact CE1-CD2 3.92Å; F670-Y771 HydrophobicContact CG-CD2 4.45Å
671	Q	81.5	Confident	70	Confident	78 Å²	78	61.9 Å²	61.9	36%	0.364	32%	0.324	S	S	.	.			trans	-112.5	104.9	171.4	-62	173.9	-70.8	0	0	107.1	Y641 H769 N770	Y641-Q671 HydrophobicContact CD1-CB 3.99Å; Y641-Q671 HydrophobicContact CD1-CG 4.42Å; Y641-Q671 HydrophobicContact CD2-CB 4.2Å; Y641-Q671 HydrophobicContact CD2-CG 3.82Å; Y641-Q671 HydrophobicContact CE1-CB 4.06Å; Y641-Q671 HydrophobicContact CE1-CG 4.27Å; Y641-Q671 HydrophobicContact CE2-CB 4.28Å; Y641-Q671 HydrophobicContact CE2-CG 3.66Å; Y641-Q671 HydrophobicContact CG-CB 4.05Å; Y641-Q671 HydrophobicContact CG-CG 4.2Å; Y641-Q671 PolarHBondContact OH-NE2 2.97Å; Y641-Q671 VanDerWaalsContact OH-NE2 3.12Å; Q671-H769 CarbonylContact O-C 3.5Å; Q671-H769 WeakPolarHBondContact O-CA 3.45Å; Q671-H769 WeakPolarHBondContact O-CB 3.38Å; Q671-N770 HydrophobicContact CB-CB 4.27Å; Q671-N770 PolarHBondContact N-ND2 2.85Å; Q671-N770 PolarHBondContact N-OD1 2.91Å; Q671-N770 PolarHBondContact O-N 2.63Å; Q671-N770 VanDerWaalsContact O-N 3.09Å; Q671-N770 PolarHBondContact OE1-ND2 3.25Å; Q671-N770 VanDerWaalsContact OE1-ND2 3.13Å
672	I	83.5	Confident	68.6	Low	4 Å²	4	61.9 Å²	61.9	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.1	169.8	-63.1	-179.1	0	0	0	107.8	L636 Y641 L643 Y660 I675 C767 A768	L636-I672 HydrophobicContact CD1-CB 4.03Å; L636-I672 HydrophobicContact CD1-CG2 3.95Å; L636-I672 HydrophobicContact CD2-CG2 4.29Å; Y641-I672 WeakPolarHBondContact CD1-O 3.49Å; L643-I672 HydrophobicContact CD1-CD1 4.11Å; L643-I672 HydrophobicContact CD2-CD1 4.14Å; L643-I672 HydrophobicContact CG-CD1 3.98Å; Y660-I672 HydrophobicContact CE2-CD1 4.25Å; Y660-I672 VanDerWaalsContact OH-CD1 3.32Å; Y660-I672 WeakPolarHBondContact OH-CD1 3.44Å; I672-I675 HydrophobicContact CG2-CG2 3.63Å; I672-C767 HydrophobicContact CD1-CB 4.41Å; I672-C767 HydrophobicContact CG2-CB 4.43Å; I672-A768 CarbonylContact C-O 3.6Å; I672-A768 WeakPolarHBondContact CA-O 3.08Å
673	M	78.5	Confident	66.9	Low	55 Å²	55	67.7 Å²	67.7	27%	0.271	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-28.4	-172.9	-60.5	174.9	75.1	0	0	112.3	Q344 P345 A768	Q344-M673 HydrophobicContact CB-CE 4.29Å; Q344-M673 HydrophobicContact CG-CB 4.34Å; Q344-M673 HydrophobicContact CG-CE 4.17Å; Q344-M673 PolarHBondContact NE2-O 3.22Å; P345-M673 HydrophobicContact CG-CB 4.24Å; M673-A768 PolarHBondContact N-O 3.05Å
674	A	82.3	Confident	65.4	Low	6 Å²	6	71.7 Å²	71.7	5%	0.05	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.8	172.5	0	0	0	0	0	110.5	P345 A768	P345-A674 WeakPolarHBondContact O-CB 3.48Å; A674-A768 PolarHBondContact O-N 3.2Å
675	I	89.1	Confident	64.1	Low	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.3	174.2	58.2	177.1	0	0	0	110.6	H624 I626 I634 L636 L643 I672 I765 M766 C767	H624-I675 HydrophobicContact CB-CG1 4.44Å; H624-I675 PolarHBondContact CE1-O 2.97Å; H624-I675 VanDerWaalsContact ND1-CG1 3.25Å; H624-I675 WeakPolarHBondContact ND1-CG1 3.4Å; H624-I675 PolarHBondContact ND1-O 3.49Å; I626-I675 HydrophobicContact CD1-CB 4.13Å; I626-I675 HydrophobicContact CD1-CD1 3.8Å; I626-I675 HydrophobicContact CD1-CG1 3.9Å; I626-I675 HydrophobicContact CG1-CD1 3.79Å; I626-I675 HydrophobicContact CG1-CG1 4.15Å; I626-I675 HydrophobicContact CG2-CG1 4.13Å; I634-I675 HydrophobicContact CG2-CD1 4.09Å; L636-I675 HydrophobicContact CB-CD1 4.13Å; L643-I675 HydrophobicContact CD2-CD1 4.12Å; L643-I675 HydrophobicContact CD2-CG2 3.82Å; I672-I675 HydrophobicContact CG2-CG2 3.63Å; I675-I765 HydrophobicContact CB-CG2 3.99Å; I675-I765 HydrophobicContact CG2-CG2 4.22Å; I675-M766 CarbonylContact C-O 3.52Å; I675-M766 WeakPolarHBondContact CA-O 3.24Å; I675-C767 HydrophobicContact CG2-CB 4.39Å
676	Q	87.9	Confident	62.9	Low	12 Å²	12	73.3 Å²	73.3	6%	0.056	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.6	175.8	-176.3	66.8	-14.1	0	0	110.1	D347 M348 R421 M766	D347-Q676 WeakPolarHBondContact OD1-CG 3.32Å; D347-Q676 PolarHBondContact OD1-NE2 3.23Å; D347-Q676 PolarHBondContact OD1-OE1 2.8Å; M348-Q676 WeakPolarHBondContact O-CG 3.19Å; R421-Q676 VanDerWaalsContact CZ-OE1 3.24Å; Q676-M766 PolarHBondContact N-O 3.25Å; Q676-M766 PolarHBondContact O-N 2.91Å
677	P	87.3	Confident	61.7	Low	5 Å²	5	71.8 Å²	71.8	3%	0.032	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.9	174	28.8	-37	0	0	0	111.3	I626 Y627 T628 Y679	I626-P677 HydrophobicContact CD1-CB 4.48Å; Y627-P677 WeakPolarHBondContact O-CB 3.22Å; Y627-P677 WeakPolarHBondContact O-CG 3.39Å; T628-P677 HydrophobicContact CG2-CB 4.4Å; P677-Y679 HydrophobicContact CB-CE1 4.36Å; P677-Y679 HydrophobicContact CB-CE2 4.17Å; P677-Y679 HydrophobicContact CG-CD2 4.36Å; P677-Y679 HydrophobicContact CG-CE1 4.35Å; P677-Y679 HydrophobicContact CG-CE2 3.48Å; P677-Y679 VanDerWaalsContact CG-CE2 3.48Å; P677-Y679 VanDerWaalsContact CG-CZ 3.46Å; P677-Y679 VanDerWaalsContact CG-OH 3.25Å; P677-Y679 WeakPolarHBondContact CG-OH 3.3Å; P677-Y679 PolarHBondContact O-N 2.88Å
678	V	79.9	Confident	60.5	Low	8 Å²	8	73.1 Å²	73.1	5%	0.048	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	97.3	175.3	-173.5	0	0	0	0	109.6	L350 L761 G763 G764 M766 V775	L350-V678 HydrophobicContact CD1-CG1 4.25Å; V678-L761 VanDerWaalsContact CG1-O 3.25Å; V678-L761 WeakPolarHBondContact CG1-O 3.37Å; V678-G763 PolarHBondContact O-N 3.42Å; V678-G764 PolarHBondContact N-O 3.46Å; V678-M766 HydrophobicContact CG2-CB 3.91Å; V678-V775 HydrophobicContact CG2-CG1 3.59Å
679	Y	72.1	Confident	59	Low	63 Å²	63	70.4 Å²	70.4	25%	0.247	38%	0.384	C	S	.	.			trans	-81.1	146.6	163.1	-53.4	-65.3	0	0	0	110.3	H538 Y627 P677	H538-Y679 AromaticContact CD2-CE2 3.85Å; H538-Y679 AromaticContact CD2-CZ 3.62Å; H538-Y679 AromaticContact CE1-CE2 3.67Å; H538-Y679 AromaticContact NE2-CD2 3.9Å; H538-Y679 AromaticContact NE2-CE2 3.11Å; H538-Y679 WeakPolarHBondContact NE2-CE2 3.28Å; H538-Y679 AromaticContact NE2-CZ 3.33Å; H538-Y679 VanDerWaalsContact NE2-CZ 3.33Å; H538-Y679 PolarHBondContact NE2-OH 2.97Å; Y627-Y679 PolarHBondContact O-OH 3.48Å; P677-Y679 HydrophobicContact CB-CE1 4.36Å; P677-Y679 HydrophobicContact CB-CE2 4.17Å; P677-Y679 HydrophobicContact CG-CD2 4.36Å; P677-Y679 HydrophobicContact CG-CE1 4.35Å; P677-Y679 HydrophobicContact CG-CE2 3.48Å; P677-Y679 VanDerWaalsContact CG-CE2 3.48Å; P677-Y679 VanDerWaalsContact CG-CZ 3.46Å; P677-Y679 VanDerWaalsContact CG-OH 3.25Å; P677-Y679 WeakPolarHBondContact CG-OH 3.3Å; P677-Y679 PolarHBondContact O-N 2.88Å
680	S	58.6	Low	57.1	Low	32 Å²	32	70.2 Å²	70.2	22%	0.224	39%	0.392	C	S	.	.			trans	-80.2	131.7	153.2	48.7	0	0	0	0	108.3	E682 R762	S680-E682 PolarHBondContact O-N 3.47Å; S680-R762 PolarHBondContact OG-NE 3.05Å
681	D	52.7	Low	55.1	Low	68 Å²	68	75.6 Å²	75.6	36%	0.364	43%	0.429	S	S	.	.			trans	-69.6	74.8	166.4	-80.2	-34.7	0	0	0	110.2	K349 I683	K349-D681 WeakPolarHBondContact CE-OD1 3.45Å; K349-D681 WeakPolarHBondContact CE-OD2 3.48Å; K349-D681 IonicContact NZ-OD1 3.05Å; K349-D681 PolarHBondContact NZ-OD1 3.28Å; K349-D681 IonicContact NZ-OD2 2.73Å; K349-D681 PolarHBondContact NZ-OD2 2.9Å; D681-I683 PolarHBondContact O-N 3.24Å
682	E	44.7	Very low	52.7	Low	131 Å²	131	77.4 Å²	77.4	61%	0.612	45%	0.445	S	S	*	.			trans	-72	83.4	156.5	-75.8	-177.6	147	0	0	107.7	S680 V684 R762	S680-E682 PolarHBondContact O-N 3.47Å; E682-V684 PolarHBondContact O-N 3.2Å; E682-R762 VanDerWaalsContact CD-NH2 3.29Å; E682-R762 IonicContact OE1-CZ 2.72Å; E682-R762 IonicContact OE1-NH1 3.75Å; E682-R762 PolarHBondContact OE1-NH1 3.4Å; E682-R762 IonicContact OE1-NH2 3.62Å; E682-R762 PolarHBondContact OE1-NH2 2.92Å; E682-R762 IonicContact OE2-CZ 3.78Å; E682-R762 IonicContact OE2-NH1 3.56Å; E682-R762 PolarHBondContact OE2-NH1 3.39Å; E682-R762 IonicContact OE2-NH2 2.72Å
683	I	31.7	Very low	50.3	Low	130 Å²	130	84.4 Å²	84.4	67%	0.667	49%	0.488	S	S	*	.			trans	-40.8	129.2	158.7	-64.5	172.5	0	0	0	106.9	D681 H685	D681-I683 PolarHBondContact O-N 3.24Å; I683-H685 VanDerWaalsContact C-N 3.27Å; I683-H685 PolarHBondContact O-N 3.44Å; I683-H685 PolarHBondContact O-ND1 2.9Å
684	V	27.3	Very low	48	Very low	135 Å²	135	87.7 Å²	87.7	82%	0.818	51%	0.512	S	S	*	.			trans	-54.1	89.8	-175.2	-178.4	0	0	0	0	110.8	E682 S686	E682-V684 PolarHBondContact O-N 3.2Å; V684-S686 PolarHBondContact O-N 2.85Å; V684-S686 VanDerWaalsContact O-N 3.16Å
685	H	29.5	Very low	45.7	Very low	156 Å²	156	94.5 Å²	94.5	72%	0.722	55%	0.553	S	S	*	*			trans	-73.1	108	169	-79.4	30.9	0	0	0	105	I683 A687	I683-H685 VanDerWaalsContact C-N 3.27Å; I683-H685 PolarHBondContact O-N 3.44Å; I683-H685 PolarHBondContact O-ND1 2.9Å; H685-A687 PolarHBondContact O-N 3.17Å
686	S	25.5	Very low	42.9	Very low	113 Å²	113	101.5 Å²	101.5	79%	0.79	59%	0.59	S	S	*	*			trans	-68.8	62.4	176	45.8	0	0	0	0	110.7	V684 N688	V684-S686 PolarHBondContact O-N 2.85Å; V684-S686 VanDerWaalsContact O-N 3.16Å; S686-N688 PolarHBondContact O-N 3.48Å
687	A	29.2	Very low	40.3	Very low	69 Å²	69	107.4 Å²	107.4	57%	0.57	63%	0.627	S	S	*	*			trans	-78.5	56.6	-173.9	0	0	0	0	0	111.6	H685 S689	H685-A687 PolarHBondContact O-N 3.17Å; A687-S689 PolarHBondContact O-N 3.41Å; A687-S689 PolarHBondContact O-OG 3.44Å
688	N	28.3	Very low	37.5	Very low	167 Å²	167	111.9 Å²	111.9	89%	0.893	66%	0.659	S	S	*	*			trans	-64.8	77	158.5	-86	0.8	0	0	0	108.1	S686 T690	S686-N688 PolarHBondContact O-N 3.48Å; N688-T690 PolarHBondContact O-N 3.38Å
689	S	29.5	Very low	35.3	Very low	89 Å²	89	117.9 Å²	117.9	62%	0.622	70%	0.696	S	S	*	*			trans	-80.6	113.2	-169.2	-58.8	0	0	0	0	110	A687	A687-S689 PolarHBondContact O-N 3.41Å; A687-S689 PolarHBondContact O-OG 3.44Å
690	T	28.6	Very low	33.4	Very low	113 Å²	113	123 Å²	123	69%	0.693	72%	0.724	S	S	*	*			trans	51.7	103.8	154.4	52.9	0	0	0	0	118.1	N688 T692	N688-T690 PolarHBondContact O-N 3.38Å; T690-T692 HydrophobicContact CG2-CG2 4.42Å
691	T	30.5	Very low	32.2	Very low	153 Å²	153	125.9 Å²	125.9	94%	0.939	74%	0.744	S	S	*	*				-121.2	140.4	113.3	42.9	0	0	0	0	109.1
692	T	30.4	Very low	31.2	Very low	116 Å²	116	127.6 Å²	127.6	71%	0.712	76%	0.762	S	S	*	*			trans	-114	134.4	-167.8	49.9	0	0	0	0	112.3	T690	T690-T692 HydrophobicContact CG2-CG2 4.42Å
693	T	31.9	Very low	30.7	Very low	151 Å²	151	127.9 Å²	127.9	93%	0.926	77%	0.766	S	S	*	*			trans	-154	136	140.7	9.3	0	0	0	0	110.9
694	T	31.6	Very low	30.8	Very low	124 Å²	124	128.2 Å²	128.2	76%	0.761	77%	0.769	S	S	*	*			trans	-105.3	146.9	176.5	45.6	0	0	0	0	110.8
695	T	33.2	Very low	31.1	Very low	150 Å²	150	129.1 Å²	129.1	92%	0.92	76%	0.764	S	S	*	*			trans	-151.2	141.3	150.5	6.8	0	0	0	0	110.1
696	N	30.1	Very low	31.4	Very low	146 Å²	146	126.2 Å²	126.2	78%	0.781	76%	0.761	S	S	*	*			trans	-106.1	139	-173.5	-56.2	-42.9	0	0	0	111.5
697	T	32.9	Very low	31.8	Very low	136 Å²	136	125.1 Å²	125.1	83%	0.834	75%	0.754	S	S	*	*			trans	-160.1	97.9	148.1	27.4	0	0	0	0	108
698	S	29.8	Very low	32.1	Very low	99 Å²	99	132 Å²	132	69%	0.692	77%	0.766	S	S	*	*				81.1	101.4	67.9	73	0	0	0	0	114.9
699	T	32.6	Very low	32.4	Very low	134 Å²	134	128.3 Å²	128.3	82%	0.822	75%	0.753	S	S	*	*			trans	-166.8	136.9	142.3	9.3	0	0	0	0	110.4
700	M	32.4	Very low	32.7	Very low	172 Å²	172	129.9 Å²	129.9	85%	0.847	76%	0.755	S	S	*	*			trans	41	132.6	148.8	-59.4	-53.3	161	0	0	120.6
701	S	33.8	Very low	33.1	Very low	91 Å²	91	131 Å²	131	64%	0.636	75%	0.752	S	S	*	*			cis	-169.2	142.1	10	46.3	0	0	0	0	112.8
702	S	32.5	Very low	33.6	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	74%	0.737	S	S	*	*			trans	55.2	148.2	140.5	72.3	0	0	0	0	119.6
703	I	34.6	Very low	33.9	Very low	136 Å²	136	131.1 Å²	131.1	70%	0.697	73%	0.733	S	S	*	*			cis	-151.9	132.1	30.5	-74.8	178.2	0	0	0	110.1
704	N	32.5	Very low	34.1	Very low	137 Å²	137	129.8 Å²	129.8	73%	0.733	72%	0.717	S	S	*	*			trans	53.9	164.7	151.8	-57.9	-6.1	0	0	0	121.1
705	H	34.4	Very low	34.3	Very low	155 Å²	155	130.5 Å²	130.5	72%	0.718	71%	0.711	S	S	*	*			cis	-152.1	142.2	-1.9	-137.9	-70.9	0	0	0	111
706	S	34.3	Very low	34.4	Very low	94 Å²	94	130.1 Å²	130.1	66%	0.657	70%	0.699	S	S	*	*			trans	39.9	148.4	148.4	50.1	0	0	0	0	123.9
707	S	34.9	Very low	34.5	Very low	91 Å²	91	128.5 Å²	128.5	64%	0.636	69%	0.694	S	S	*	*			cis	-174.3	168	-9.4	-86.8	0	0	0	0	111.2
708	Y	35.3	Very low	34.6	Very low	212 Å²	212	127.7 Å²	127.7	83%	0.831	69%	0.69	S	S	*	*			trans	68.4	116.2	165.8	-62.6	-69.1	0	0	0	117.4
709	S	35.4	Very low	34.7	Very low	90 Å²	90	132.3 Å²	132.3	63%	0.629	69%	0.693	S	S	*	*				88.3	145.6	58.8	86	0	0	0	0	113.3
710	N	34.8	Very low	34.7	Very low	122 Å²	122	137 Å²	137	65%	0.652	70%	0.698	S	S	*	*			cis	-165.2	158.7	10.9	-138.5	-6.1	0	0	0	113
711	H	38.3	Very low	34.8	Very low	136 Å²	136	135.4 Å²	135.4	63%	0.63	69%	0.693	S	S	*	*			trans	60.8	156.6	156	-65.3	-54.2	0	0	0	120.3
712	H	39.4	Very low	34.7	Very low	135 Å²	135	133.8 Å²	133.8	63%	0.625	69%	0.69	S	S	*	*			cis	-160.4	157.1	-15.6	-120.9	-24.8	0	0	0	112.4
713	H	37.2	Very low	34.7	Very low	137 Å²	137	135.5 Å²	135.5	63%	0.634	69%	0.691	S	S	*	*			trans	68.5	152.1	147.2	-72.8	-2.2	0	0	0	119.4
714	Q	36.2	Very low	34.6	Very low	124 Å²	124	133.8 Å²	133.8	58%	0.579	69%	0.687	S	S	*	*			cis	-159.8	144.5	-10.7	-118	177.5	27	0	0	110.9
715	Q	35.4	Very low	34.7	Very low	138 Å²	138	134.8 Å²	134.8	65%	0.645	69%	0.687	S	S	*	*			trans	64.1	156.4	145.2	-67.2	174.3	34.3	0	0	118.7
716	Q	35.1	Very low	34.7	Very low	143 Å²	143	132.9 Å²	132.9	67%	0.668	68%	0.682	S	S	*	*			cis	-156.4	141.5	0.2	-130.9	175.5	53.9	0	0	110.6
717	T	33.7	Very low	34.7	Very low	111 Å²	111	136.2 Å²	136.2	68%	0.681	69%	0.687	S	S	*	*			trans	46.8	152.5	142.8	50.8	0	0	0	0	122.4
718	T	34.6	Very low	34.6	Very low	120 Å²	120	136 Å²	136	74%	0.736	69%	0.686	S	S	*	*			cis	-155.5	147.8	14.2	-13.5	0	0	0	0	113.5
719	Y	31.6	Very low	34.4	Very low	196 Å²	196	132.4 Å²	132.4	77%	0.769	68%	0.681	S	S	*	*			trans	-21.5	144.8	159.8	-66.7	-97.9	0	0	0	119.8
720	Y	33.4	Very low	34.2	Very low	232 Å²	232	135.9 Å²	135.9	91%	0.91	69%	0.687	S	S	*	*				-151.2	-178.6	104	-113.5	-73.7	0	0	0	111.7
721	N	32.9	Very low	34.1	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	69%	0.693	S	S	*	*			trans	-159	155.1	-144.5	-173.9	24.5	0	0	0	114.1
722	G	32.6	Very low	33.8	Very low	57 Å²	57	134.4 Å²	134.4	59%	0.588	70%	0.702	S	S	*	*			trans	141.8	111.3	172.8	0	0	0	0	0	111.5
723	N	31.6	Very low	33.5	Very low	141 Å²	141	134 Å²	134	75%	0.754	71%	0.705	S	S	*	*				75.7	133.7	71	-75.6	8	0	0	0	113.3
724	T	33.6	Very low	33.3	Very low	99 Å²	99	134.3 Å²	134.3	61%	0.607	71%	0.711	S	S	*	*			cis	-169	154.8	0.7	10.6	0	0	0	0	111.6
725	H	34.8	Very low	33	Very low	158 Å²	158	137.4 Å²	137.4	73%	0.731	72%	0.723	S	S	*	*			trans	64.3	150.5	152.7	-64.4	-48.1	0	0	0	119.2
726	N	32.8	Very low	32.9	Very low	115 Å²	115	137.8 Å²	137.8	62%	0.615	73%	0.728	S	S	*	*			cis	-155.4	159.4	-5.8	-115.8	-8.4	0	0	0	113.8
727	H	34.7	Very low	32.7	Very low	165 Å²	165	140.3 Å²	140.3	76%	0.764	74%	0.737	S	S	*	*			trans	8.1	151.1	146.8	-65.6	-60.7	0	0	0	122.1
728	S	33.9	Very low	32.5	Very low	87 Å²	87	142 Å²	142	61%	0.608	74%	0.742	S	S	*	*			cis	-179.3	151	-6.1	48.9	0	0	0	0	112.2
729	N	30.8	Very low	32.3	Very low	135 Å²	135	145.6 Å²	145.6	72%	0.722	75%	0.747	S	S	*	*			trans	56.8	155.1	144.6	-62.7	25.7	0	0	0	119.5
730	E	31.6	Very low	32.2	Very low	163 Å²	163	142 Å²	142	76%	0.762	75%	0.751	S	S	*	*			cis	-149	164.1	6.7	-140	151.4	-114	0	0	114.7
731	N	31.9	Very low	32.2	Very low	148 Å²	148	139.4 Å²	139.4	79%	0.791	74%	0.744	S	S	*	*			trans	-55.5	157.3	-175	-71.9	-62.3	0	0	0	118.4
732	G	31.7	Very low	32.2	Very low	79 Å²	79	142.1 Å²	142.1	81%	0.814	75%	0.752	S	S	*	*			trans	-148.1	13.2	177.6	0	0	0	0	0	118.8
733	N	33.3	Very low	31.9	Very low	126 Å²	126	143.6 Å²	143.6	67%	0.674	75%	0.753	S	S	*	*			trans	27.1	114.2	164	-78.8	-36.4	0	0	0	122.9
734	N	32.1	Very low	31.8	Very low	144 Å²	144	146.2 Å²	146.2	77%	0.77	76%	0.758	S	S	*	*				62.7	129.4	127.8	-60.7	-40.7	0	0	0	123.1
735	K	31.6	Very low	31.7	Very low	189 Å²	189	148 Å²	148	82%	0.822	77%	0.769	S	S	*	*				-157.2	117.9	122.6	-113.6	-179.2	-175.5	-178.5	0	114.9
736	L	32.5	Very low	31.3	Very low	146 Å²	146	147.1 Å²	147.1	76%	0.764	78%	0.775	S	S	*	*			trans	43.8	122.4	142.5	-55.5	167.7	0	0	0	119.8
737	K	30.2	Very low	31.2	Very low	196 Å²	196	146.3 Å²	146.3	85%	0.852	78%	0.784	S	S	*	*			cis	81	105	36.2	-68	-163.7	171.6	-173.5	0	117.4
738	L	29.7	Very low	30.9	Very low	148 Å²	148	144.4 Å²	144.4	78%	0.775	78%	0.784	S	S	*	*			trans	-165.7	139.9	148.3	-88.6	130.3	0	0	0	105.5
739	F	30.4	Very low	30.7	Very low	195 Å²	195	145.2 Å²	145.2	86%	0.855	79%	0.79	S	S	*	*			cis	-122.9	144.1	-7.5	-72.5	-105	0	0	0	109.9
740	S	30	Very low	30.6	Very low	121 Å²	121	146.2 Å²	146.2	85%	0.846	80%	0.795	S	S	*	*			trans	-170.8	108	155.7	178.3	0	0	0	0	108.8
741	K	33.1	Very low	30.5	Very low	177 Å²	177	143.7 Å²	143.7	77%	0.77	80%	0.795	S	S	*	*			trans	-174.8	89.9	169.4	-115.9	-174	178.2	-166.9	0	111.3
742	H	33.1	Very low	30.4	Very low	196 Å²	196	142.8 Å²	142.8	91%	0.907	80%	0.797	S	S	*	*			trans	-119.3	145.8	134.5	-84.3	-91.5	0	0	0	106.4
743	S	27.6	Very low	30.3	Very low	87 Å²	87	144.1 Å²	144.1	61%	0.608	79%	0.794	S	S	*	*			trans	-142.9	119.3	-164.9	-59.6	0	0	0	0	110.3
744	F	28.9	Very low	30.5	Very low	196 Å²	196	140.9 Å²	140.9	86%	0.86	78%	0.781	S	S	*	*			trans	-126.2	153.8	160.8	-82.2	-73.8	0	0	0	110.2
745	T	31.1	Very low	30.8	Very low	136 Å²	136	137.1 Å²	137.1	83%	0.834	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-98.7	131.8	-153.3	41.7	0	0	0	0	113.3	A747	T745-A747 PolarHBondContact O-N 3.09Å
746	T	26	Very low	31	Very low	140 Å²	140	134 Å²	134	86%	0.859	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-64.8	119.1	173.2	-27.9	0	0	0	0	111.4
747	A	30.2	Very low	31.7	Very low	98 Å²	98	129.2 Å²	129.2	81%	0.81	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-102.3	128.7	162	0	0	0	0	0	108.9	T745	T745-A747 PolarHBondContact O-N 3.09Å
748	T	30.2	Very low	32.4	Very low	125 Å²	125	121 Å²	121	77%	0.767	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-94.3	147	-174.9	41.9	0	0	0	0	113.3
749	S	28.9	Very low	33.3	Very low	104 Å²	104	118.3 Å²	118.3	73%	0.727	69%	0.685	S	S	*	*			trans	109.2	148.1	145.9	82.5	0	0	0	0	119.7
750	L	29	Very low	34.4	Very low	157 Å²	157	113.4 Å²	113.4	82%	0.822	66%	0.663	S	S	*	*			trans	85	128	159.2	-62.9	161.3	0	0	0	120.6
751	S	29.6	Very low	35.8	Very low	110 Å²	110	108.1 Å²	108.1	77%	0.769	63%	0.626	S	S	*	*			trans	74.8	116.5	165.9	77.7	0	0	0	0	119.3
752	P	28.7	Very low	37.2	Very low	129 Å²	129	103.2 Å²	103.2	84%	0.838	60%	0.602	S	S	*	*			trans	-105.4	121.2	172.9	35.2	-27.5	0	0	0	112.8
753	S	30.9	Very low	38.9	Very low	106 Å²	106	93.9 Å²	93.9	74%	0.741	56%	0.559	S	S	*	*	S	Bend	trans	-158.6	-28.3	165.4	61.5	0	0	0	0	116.8
754	S	37.5	Very low	41.4	Very low	59 Å²	59	89.8 Å²	89.8	41%	0.413	53%	0.53	S	S	.	.	S	Bend	trans	-92.3	-35.3	-167	46.5	0	0	0	0	116	C359 Q756 S757	C359-S754 PolarHBondContact SG-OG 3.17Å; C359-S754 VanDerWaalsContact SG-OG 3.37Å; S754-Q756 VanDerWaalsContact C-N 3.3Å; S754-Q756 PolarHBondContact O-N 2.86Å; S754-S757 PolarHBondContact O-OG 2.82Å
755	S	37.2	Very low	44.2	Very low	65 Å²	65	80.4 Å²	80.4	46%	0.455	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-64.8	-24.4	-168.5	56.1	0	0	0	0	115.6	S757 I758	S755-S757 PolarHBondContact O-N 2.94Å; S755-I758 PolarHBondContact O-N 3.11Å
756	Q	35.7	Very low	46.7	Very low	124 Å²	124	74.1 Å²	74.1	58%	0.579	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-64.2	-2.3	-173.9	-56.5	-169.9	-0.6	0	0	115.4	S754 K760	S754-Q756 VanDerWaalsContact C-N 3.3Å; S754-Q756 PolarHBondContact O-N 2.86Å; Q756-K760 VanDerWaalsContact CB-NZ 3.31Å; Q756-K760 WeakPolarHBondContact O-CD 3.47Å; Q756-K760 WeakPolarHBondContact O-CE 3.41Å; Q756-K760 WeakPolarHBondContact O-CG 3.38Å; Q756-K760 PolarHBondContact O-NZ 3.35Å
757	S	46.8	Very low	49.5	Very low	45 Å²	45	67.4 Å²	67.4	32%	0.315	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-71.7	-33.5	178.9	49.2	0	0	0	0	112.2	S754 S755	S754-S757 PolarHBondContact O-OG 2.82Å; S755-S757 PolarHBondContact O-N 2.94Å
758	I	46	Very low	51.8	Low	23 Å²	23	63 Å²	63	12%	0.118	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-29.3	-166.3	-53.5	167.4	0	0	0	112.5	I352 I361 S755 K760 L761	I352-I758 HydrophobicContact CB-CD1 4.14Å; I352-I758 HydrophobicContact CD1-CB 4.3Å; I352-I758 HydrophobicContact CD1-CD1 3.69Å; I352-I758 HydrophobicContact CD1-CG2 3.94Å; I352-I758 HydrophobicContact CG1-CD1 3.64Å; I352-I758 HydrophobicContact CG1-CG2 4.31Å; I352-I758 HydrophobicContact CG2-CD1 3.57Å; I361-I758 HydrophobicContact CD1-CD1 3.54Å; I361-I758 HydrophobicContact CD1-CG1 3.58Å; I361-I758 HydrophobicContact CG1-CD1 3.5Å; I361-I758 HydrophobicContact CG1-CG1 4.12Å; S755-I758 PolarHBondContact O-N 3.11Å; I758-K760 PolarHBondContact O-N 3.03Å; I758-K760 VanDerWaalsContact O-N 3.11Å; I758-L761 HydrophobicContact CG1-CD1 4.48Å; I758-L761 HydrophobicContact CG2-CD1 4.4Å; I758-L761 WeakPolarHBondContact O-CA 3.47Å; I758-L761 VanDerWaalsContact O-CB 3.28Å; I758-L761 WeakPolarHBondContact O-CB 3.1Å; I758-L761 PolarHBondContact O-N 3.35Å
759	D	48.2	Very low	54.1	Low	92 Å²	92	57.4 Å²	57.4	49%	0.492	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-59.6	-22.8	167.5	-73.3	-56.1	0	0	0	112.8	L761 R762	D759-L761 VanDerWaalsContact C-N 3.27Å; D759-R762 IonicContact OD1-CZ 3.73Å; D759-R762 IonicContact OD1-NE 2.66Å; D759-R762 IonicContact OD1-NH2 3.14Å; D759-R762 PolarHBondContact OD1-NH2 2.77Å
760	K	53.7	Low	56.2	Low	92 Å²	92	54 Å²	54	40%	0.4	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-80.4	-5.6	174	-61.7	170.5	-173.9	129.3	0	113.1	Q756 I758	Q756-K760 VanDerWaalsContact CB-NZ 3.31Å; Q756-K760 WeakPolarHBondContact O-CD 3.47Å; Q756-K760 WeakPolarHBondContact O-CE 3.41Å; Q756-K760 WeakPolarHBondContact O-CG 3.38Å; Q756-K760 PolarHBondContact O-NZ 3.35Å; I758-K760 PolarHBondContact O-N 3.03Å; I758-K760 VanDerWaalsContact O-N 3.11Å
761	L	60	Low	58	Low	10 Å²	10	48.3 Å²	48.3	5%	0.052	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-101.4	4.8	-177.6	-61.9	-178	0	0	0	114	L328 F384 V678 I758 D759 Y777	L328-L761 HydrophobicContact CD1-CD2 3.7Å; F384-L761 HydrophobicContact CE1-CD1 3.65Å; F384-L761 HydrophobicContact CE1-CD2 4.17Å; F384-L761 HydrophobicContact CZ-CD1 3.67Å; V678-L761 VanDerWaalsContact CG1-O 3.25Å; V678-L761 WeakPolarHBondContact CG1-O 3.37Å; I758-L761 HydrophobicContact CG1-CD1 4.48Å; I758-L761 HydrophobicContact CG2-CD1 4.4Å; I758-L761 WeakPolarHBondContact O-CA 3.47Å; I758-L761 VanDerWaalsContact O-CB 3.28Å; I758-L761 WeakPolarHBondContact O-CB 3.1Å; I758-L761 PolarHBondContact O-N 3.35Å; D759-L761 VanDerWaalsContact C-N 3.27Å; L761-Y777 WeakPolarHBondContact CA-OH 3.24Å; L761-Y777 HydrophobicContact CB-CE1 4.36Å; L761-Y777 VanDerWaalsContact CB-OH 3.26Å; L761-Y777 WeakPolarHBondContact CB-OH 3.32Å; L761-Y777 HydrophobicContact CD2-CE1 4.36Å; L761-Y777 HydrophobicContact CD2-CE2 3.77Å; L761-Y777 WeakPolarHBondContact O-CE1 3.37Å; L761-Y777 PolarHBondContact O-OH 3.49Å
762	R	62.9	Low	59.9	Low	74 Å²	74	43.1 Å²	43.1	28%	0.279	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	139.3	171.7	-57.6	-175.2	-167.5	-144.4	3.4	110.7	S680 E682 D759 L781	S680-R762 PolarHBondContact OG-NE 3.05Å; E682-R762 VanDerWaalsContact CD-NH2 3.29Å; E682-R762 IonicContact OE1-CZ 2.72Å; E682-R762 IonicContact OE1-NH1 3.75Å; E682-R762 PolarHBondContact OE1-NH1 3.4Å; E682-R762 IonicContact OE1-NH2 3.62Å; E682-R762 PolarHBondContact OE1-NH2 2.92Å; E682-R762 IonicContact OE2-CZ 3.78Å; E682-R762 IonicContact OE2-NH1 3.56Å; E682-R762 PolarHBondContact OE2-NH1 3.39Å; E682-R762 IonicContact OE2-NH2 2.72Å; D759-R762 IonicContact OD1-CZ 3.73Å; D759-R762 IonicContact OD1-NE 2.66Å; D759-R762 IonicContact OD1-NH2 3.14Å; D759-R762 PolarHBondContact OD1-NH2 2.77Å; R762-L781 WeakPolarHBondContact O-CD1 3.44Å
763	G	68.7	Low	62.1	Low	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	21.1	176.1	0	0	0	0	0	115	S629 V678 P778	S629-G763 WeakPolarHBondContact OG-CA 3.43Å; S629-G763 PolarHBondContact OG-N 3.38Å; V678-G763 PolarHBondContact O-N 3.42Å; G763-P778 WeakPolarHBondContact O-CD 3.49Å; G763-P778 WeakPolarHBondContact O-CG 3.47Å
764	G	78.8	Confident	64.3	Low	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	168.3	173.3	0	0	0	0	0	113.6	V678	V678-G764 PolarHBondContact N-O 3.46Å
765	I	87.3	Confident	66.3	Low	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.8	166.8	-50	160.2	0	0	0	107.7	F325 I626 T628 I634 L658 I675 I776	F325-I765 HydrophobicContact CD1-CD1 4.47Å; F325-I765 HydrophobicContact CE1-CD1 3.88Å; I626-I765 HydrophobicContact CD1-CG2 3.85Å; T628-I765 HydrophobicContact CG2-CG1 3.93Å; I634-I765 HydrophobicContact CD1-CD1 4.31Å; I634-I765 HydrophobicContact CG1-CD1 3.9Å; I634-I765 HydrophobicContact CG1-CG1 4.44Å; I634-I765 HydrophobicContact CG2-CD1 4.22Å; L658-I765 HydrophobicContact CD1-CD1 3.75Å; I675-I765 HydrophobicContact CB-CG2 3.99Å; I675-I765 HydrophobicContact CG2-CG2 4.22Å; I765-I776 PolarHBondContact N-O 2.9Å; I765-I776 PolarHBondContact O-N 2.9Å
766	M	84.9	Confident	68.4	Low	3 Å²	3	26.6 Å²	26.6	2%	0.015	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	123	171.3	179.4	160.2	42.6	0	0	108.9	M348 L350 R363 I675 Q676 V678 C773 V775	M348-M766 HydrophobicContact CB-CE 3.52Å; M348-M766 HydrophobicContact CB-CG 4.28Å; M348-M766 HydrophobicContact CB-SD 3.84Å; M348-M766 HydrophobicContact CE-CG 3.94Å; M348-M766 WeakPolarHBondContact O-CE 3.24Å; M348-M766 HydrophobicContact SD-CG 3.77Å; M348-M766 HydrophobicContact SD-SD 4.21Å; L350-M766 HydrophobicContact CD2-SD 4.21Å; L350-M766 HydrophobicContact CG-CE 4.13Å; L350-M766 HydrophobicContact CG-SD 4.05Å; R363-M766 HydrophobicContact CG-SD 4.22Å; I675-M766 CarbonylContact C-O 3.52Å; I675-M766 WeakPolarHBondContact CA-O 3.24Å; Q676-M766 PolarHBondContact N-O 3.25Å; Q676-M766 PolarHBondContact O-N 2.91Å; V678-M766 HydrophobicContact CG2-CB 3.91Å; M766-C773 VanDerWaalsContact CG-SG 3.58Å; M766-V775 HydrophobicContact CB-CG1 4.38Å; M766-V775 HydrophobicContact CB-CG2 4.29Å; M766-V775 HydrophobicContact CG-CG2 4.17Å; M766-V775 HydrophobicContact SD-CG2 4.48Å
767	C	83.7	Confident	70.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.2	-172.9	-58.1	0	0	0	0	109.6	I672 I675 T774 I776	I672-C767 HydrophobicContact CD1-CB 4.41Å; I672-C767 HydrophobicContact CG2-CB 4.43Å; I675-C767 HydrophobicContact CG2-CB 4.39Å; C767-T774 PolarHBondContact N-O 3.05Å; C767-T774 PolarHBondContact O-N 3.25Å; C767-T774 PolarHBondContact O-OG1 3.2Å; C767-I776 HydrophobicContact CB-CD1 4.24Å; C767-I776 VanDerWaalsContact SG-CD1 3.59Å
768	A	79.5	Confident	71.6	Confident	5 Å²	5	18.7 Å²	18.7	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	137.3	167.2	0	0	0	0	0	109.3	P345 M348 I672 M673 A674	P345-A768 HydrophobicContact CB-CB 3.88Å; P345-A768 HydrophobicContact CG-CB 3.41Å; P345-A768 VanDerWaalsContact CG-CB 3.41Å; M348-A768 HydrophobicContact CE-CB 3.74Å; M348-A768 HydrophobicContact SD-CB 3.73Å; I672-A768 CarbonylContact C-O 3.6Å; I672-A768 WeakPolarHBondContact CA-O 3.08Å; M673-A768 PolarHBondContact N-O 3.05Å; A674-A768 PolarHBondContact O-N 3.2Å
769	H	78.1	Confident	72.7	Confident	7 Å²	7	21.6 Å²	21.6	3%	0.032	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	170.9	176.5	55.8	70.8	0	0	0	111.7	F670 Q671 Y771 G772 T774	F670-H769 HydrophobicContact CD1-CB 4.33Å; F670-H769 AromaticContact CD1-CE1 3.95Å; F670-H769 AromaticContact CD1-CG 3.77Å; F670-H769 AromaticContact CD1-ND1 3.62Å; F670-H769 AromaticContact CE1-CE1 3.67Å; F670-H769 AromaticContact CE1-ND1 3.78Å; F670-H769 AromaticContact CE1-NE2 3.99Å; Q671-H769 CarbonylContact O-C 3.5Å; Q671-H769 WeakPolarHBondContact O-CA 3.45Å; Q671-H769 WeakPolarHBondContact O-CB 3.38Å; H769-Y771 PolarHBondContact CE1-O 2.92Å; H769-Y771 PolarHBondContact ND1-N 2.86Å; H769-Y771 VanDerWaalsContact ND1-N 3.16Å; H769-Y771 PolarHBondContact O-N 3.36Å; H769-G772 PolarHBondContact CD2-O 3.19Å; H769-G772 PolarHBondContact CE1-O 2.83Å; H769-G772 PolarHBondContact N-O 3.23Å; H769-G772 PolarHBondContact ND1-O 3.06Å; H769-G772 PolarHBondContact NE2-O 3.13Å; H769-G772 PolarHBondContact O-N 3.12Å; H769-G772 VanDerWaalsContact O-O 3.1Å; H769-T774 WeakPolarHBondContact NE2-CG2 3.49Å
770	N	73.1	Confident	73.1	Confident	34 Å²	34	22.8 Å²	22.8	18%	0.182	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	10.3	175.7	62.4	-12.7	0	0	0	116.9	K669 Q671	K669-N770 PolarHBondContact O-ND2 2.72Å; Q671-N770 HydrophobicContact CB-CB 4.27Å; Q671-N770 PolarHBondContact N-ND2 2.85Å; Q671-N770 PolarHBondContact N-OD1 2.91Å; Q671-N770 PolarHBondContact O-N 2.63Å; Q671-N770 VanDerWaalsContact O-N 3.09Å; Q671-N770 PolarHBondContact OE1-ND2 3.25Å; Q671-N770 VanDerWaalsContact OE1-ND2 3.13Å
771	Y	67.2	Low	73.1	Confident	36 Å²	36	21.9 Å²	21.9	14%	0.141	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.4	27	175.5	-53.9	-71.7	0	0	0	112.8	K330 K668 F670 H769	K330-Y771 VanDerWaalsContact CE-CB 3.46Å; K330-Y771 VanDerWaalsContact CE-O 3.29Å; K330-Y771 WeakPolarHBondContact CE-O 3.45Å; K668-Y771 WeakPolarHBondContact CB-OH 3.2Å; K668-Y771 WeakPolarHBondContact CD-OH 3.11Å; F670-Y771 AromaticContact CD1-CD2 3.85Å; F670-Y771 HydrophobicContact CD1-CD2 3.85Å; F670-Y771 AromaticContact CE1-CD2 3.92Å; F670-Y771 HydrophobicContact CE1-CD2 3.92Å; F670-Y771 HydrophobicContact CG-CD2 4.45Å; H769-Y771 PolarHBondContact CE1-O 2.92Å; H769-Y771 PolarHBondContact ND1-N 2.86Å; H769-Y771 VanDerWaalsContact ND1-N 3.16Å; H769-Y771 PolarHBondContact O-N 3.36Å
772	G	69.9	Low	72.5	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107.3	-154.6	178.8	0	0	0	0	0	114	C334 H769	C334-G772 CarbonylContact O-C 3.24Å; C334-G772 WeakPolarHBondContact O-CA 3.28Å; H769-G772 PolarHBondContact CD2-O 3.19Å; H769-G772 PolarHBondContact CE1-O 2.83Å; H769-G772 PolarHBondContact N-O 3.23Å; H769-G772 PolarHBondContact ND1-O 3.06Å; H769-G772 PolarHBondContact NE2-O 3.13Å; H769-G772 PolarHBondContact O-N 3.12Å; H769-G772 VanDerWaalsContact O-O 3.1Å
773	C	74.5	Confident	71.6	Confident	10 Å²	10	24.7 Å²	24.7	7%	0.068	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.4	-177.2	-171.8	0	0	0	0	112.8	C334 M766	C334-C773 PolarHBondContact O-N 3.32Å; C334-C773 VanDerWaalsContact O-N 3.11Å; M766-C773 VanDerWaalsContact CG-SG 3.58Å
774	T	76.8	Confident	70.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160	167.2	42.8	0	0	0	0	110.7	V327 K330 I662 C767 H769	V327-T774 HydrophobicContact CG1-CG2 3.71Å; K330-T774 HydrophobicContact CB-CG2 3.79Å; I662-T774 HydrophobicContact CD1-CG2 4.24Å; I662-T774 HydrophobicContact CG1-CG2 4.26Å; I662-T774 HydrophobicContact CG2-CG2 3.71Å; C767-T774 PolarHBondContact N-O 3.05Å; C767-T774 PolarHBondContact O-N 3.25Å; C767-T774 PolarHBondContact O-OG1 3.2Å; H769-T774 WeakPolarHBondContact NE2-CG2 3.49Å
775	V	79	Confident	68.4	Low	1 Å²	1	41.2 Å²	41.2	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.5	169.5	-163.5	0	0	0	0	109.8	L328 F389 V678 M766 Y777	L328-V775 PolarHBondContact N-O 3.21Å; F389-V775 HydrophobicContact CE1-CG2 4.48Å; F389-V775 HydrophobicContact CE2-CB 4.16Å; F389-V775 HydrophobicContact CE2-CG2 3.87Å; F389-V775 HydrophobicContact CZ-CB 4.05Å; F389-V775 HydrophobicContact CZ-CG2 3.49Å; F389-V775 VanDerWaalsContact CZ-CG2 3.49Å; V678-V775 HydrophobicContact CG2-CG1 3.59Å; M766-V775 HydrophobicContact CB-CG1 4.38Å; M766-V775 HydrophobicContact CB-CG2 4.29Å; M766-V775 HydrophobicContact CG-CG2 4.17Å; M766-V775 HydrophobicContact SD-CG2 4.48Å; V775-Y777 HydrophobicContact CB-CE2 3.85Å; V775-Y777 HydrophobicContact CG1-CD2 4.14Å; V775-Y777 HydrophobicContact CG1-CE2 3.27Å; V775-Y777 WeakPolarHBondContact CG1-OH 3.49Å
776	I	82.4	Confident	66	Low	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.6	-163.7	-53.7	-170	0	0	0	108.4	F325 V327 Y660 I765 C767	F325-I776 HydrophobicContact CB-CG2 3.47Å; F325-I776 VanDerWaalsContact CB-CG2 3.47Å; F325-I776 HydrophobicContact CD1-CG2 3.84Å; F325-I776 HydrophobicContact CG-CG2 4.02Å; V327-I776 HydrophobicContact CG2-CD1 4.42Å; V327-I776 HydrophobicContact CG2-CG1 4.22Å; Y660-I776 HydrophobicContact CD2-CD1 3.75Å; Y660-I776 HydrophobicContact CE2-CD1 4.16Å; Y660-I776 HydrophobicContact CG-CD1 3.99Å; Y660-I776 HydrophobicContact CG-CG2 4.3Å; I765-I776 PolarHBondContact N-O 2.9Å; I765-I776 PolarHBondContact O-N 2.9Å; C767-I776 HydrophobicContact CB-CD1 4.24Å; C767-I776 VanDerWaalsContact SG-CD1 3.59Å
777	Y	77.3	Confident	63.7	Low	1 Å²	1	55.1 Å²	55.1	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.3	-166.3	-83.1	-76.3	0	0	0	114.6	F325 H326 L328 L761 V775 Q779 L781 F782	F325-Y777 CarbonylContact C-O 3.55Å; F325-Y777 WeakPolarHBondContact CA-O 3.49Å; F325-Y777 WeakPolarHBondContact CB-O 3.3Å; H326-Y777 PolarHBondContact N-O 2.87Å; H326-Y777 PolarHBondContact O-N 2.89Å; L328-Y777 HydrophobicContact CD1-CD2 3.76Å; L328-Y777 HydrophobicContact CD1-CE2 3.67Å; L328-Y777 HydrophobicContact CG-CD2 3.87Å; L328-Y777 HydrophobicContact CG-CE2 4.21Å; L761-Y777 WeakPolarHBondContact CA-OH 3.24Å; L761-Y777 HydrophobicContact CB-CE1 4.36Å; L761-Y777 VanDerWaalsContact CB-OH 3.26Å; L761-Y777 WeakPolarHBondContact CB-OH 3.32Å; L761-Y777 HydrophobicContact CD2-CE1 4.36Å; L761-Y777 HydrophobicContact CD2-CE2 3.77Å; L761-Y777 WeakPolarHBondContact O-CE1 3.37Å; L761-Y777 PolarHBondContact O-OH 3.49Å; V775-Y777 HydrophobicContact CB-CE2 3.85Å; V775-Y777 HydrophobicContact CG1-CD2 4.14Å; V775-Y777 HydrophobicContact CG1-CE2 3.27Å; V775-Y777 WeakPolarHBondContact CG1-OH 3.49Å; Y777-Q779 PolarHBondContact O-N 2.84Å; Y777-L781 HydrophobicContact CD1-CD1 3.95Å; Y777-F782 HydrophobicContact CG-CE2 4.36Å
778	P	71.2	Confident	61.6	Low	2 Å²	2	58.7 Å²	58.7	1%	0.013	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	128.6	169.8	-25	31.1	0	0	0	113.2	F325 R632 G763 K780 L781	F325-P778 HydrophobicContact CD1-CG 4.08Å; F325-P778 VanDerWaalsContact CD1-N 3.31Å; F325-P778 HydrophobicContact CE1-CB 4.29Å; F325-P778 VanDerWaalsContact CE1-CD 3.47Å; F325-P778 HydrophobicContact CE1-CG 3.51Å; F325-P778 HydrophobicContact CZ-CB 4.4Å; F325-P778 HydrophobicContact CZ-CG 3.87Å; R632-P778 VanDerWaalsContact NH2-CB 3.26Å; R632-P778 VanDerWaalsContact NH2-CG 3.33Å; G763-P778 WeakPolarHBondContact O-CD 3.49Å; G763-P778 WeakPolarHBondContact O-CG 3.47Å; P778-K780 PolarHBondContact O-N 3.26Å; P778-L781 HydrophobicContact CB-CD1 4.25Å; P778-L781 HydrophobicContact CG-CD1 4.17Å; P778-L781 PolarHBondContact O-N 2.84Å; P778-L781 VanDerWaalsContact O-N 3.15Å
779	Q	68.6	Low	59.7	Low	85 Å²	85	67.5 Å²	67.5	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-55.1	-28	-179.7	177.1	163.5	53	0	0	114	K324 H326 Y777 L781 F782	K324-Q779 WeakPolarHBondContact O-CB 3.48Å; K324-Q779 PolarHBondContact O-N 3.23Å; H326-Q779 WeakPolarHBondContact NE2-CG 3.46Å; H326-Q779 PolarHBondContact NE2-NE2 3.13Å; Y777-Q779 PolarHBondContact O-N 2.84Å; Q779-L781 VanDerWaalsContact C-N 3.31Å; Q779-L781 PolarHBondContact O-N 3.03Å; Q779-F782 PolarHBondContact O-N 3.17Å
780	K	58.3	Low	57.9	Low	116 Å²	116	71.3 Å²	71.3	50%	0.504	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-32.4	179.3	-92	-178.5	170.4	164	0	114.5	N322 P778 F782 S783	N322-K780 VanDerWaalsContact CG-NZ 3.34Å; N322-K780 PolarHBondContact ND2-NZ 3.07Å; N322-K780 WeakPolarHBondContact OD1-CD 3.43Å; N322-K780 WeakPolarHBondContact OD1-CE 3.32Å; N322-K780 PolarHBondContact OD1-NZ 2.86Å; P778-K780 PolarHBondContact O-N 3.26Å; K780-F782 PolarHBondContact O-N 2.93Å; K780-S783 WeakPolarHBondContact CA-OG 3.44Å; K780-S783 PolarHBondContact O-N 3.06Å; K780-S783 VanDerWaalsContact O-N 3.16Å; K780-S783 PolarHBondContact O-OG 3.2Å
781	L	53.7	Low	56.1	Low	73 Å²	73	73 Å²	73	38%	0.382	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-42.1	-176.8	-70.8	158.4	0	0	0	112	R762 Y777 P778 Q779 S783	R762-L781 WeakPolarHBondContact O-CD1 3.44Å; Y777-L781 HydrophobicContact CD1-CD1 3.95Å; P778-L781 HydrophobicContact CB-CD1 4.25Å; P778-L781 HydrophobicContact CG-CD1 4.17Å; P778-L781 PolarHBondContact O-N 2.84Å; P778-L781 VanDerWaalsContact O-N 3.15Å; Q779-L781 VanDerWaalsContact C-N 3.31Å; Q779-L781 PolarHBondContact O-N 3.03Å; L781-S783 VanDerWaalsContact C-N 3.32Å; L781-S783 PolarHBondContact O-N 3.23Å
782	F	47.1	Very low	54.6	Low	70 Å²	70	74.7 Å²	74.7	31%	0.307	39%	0.389	S	S	.	.	H	α-helix	trans	-72	-25.1	176.2	-65.4	-81.8	0	0	0	113	L328 Y777 Q779 K780 R784 N785	L328-F782 HydrophobicContact CD2-CZ 4.37Å; Y777-F782 HydrophobicContact CG-CE2 4.36Å; Q779-F782 PolarHBondContact O-N 3.17Å; K780-F782 PolarHBondContact O-N 2.93Å; F782-R784 VanDerWaalsContact C-N 3.33Å; F782-R784 PolarHBondContact O-N 3.27Å; F782-N785 PolarHBondContact O-N 3.19Å
783	S	42.9	Very low	52.8	Low	73 Å²	73	77.7 Å²	77.7	51%	0.51	41%	0.409	S	S	.	.	H	α-helix	trans	-71.4	-16.3	-172.8	75.8	0	0	0	0	115.7	K780 L781	K780-S783 WeakPolarHBondContact CA-OG 3.44Å; K780-S783 PolarHBondContact O-N 3.06Å; K780-S783 VanDerWaalsContact O-N 3.16Å; K780-S783 PolarHBondContact O-OG 3.2Å; L781-S783 VanDerWaalsContact C-N 3.32Å; L781-S783 PolarHBondContact O-N 3.23Å
784	R	43	Very low	51.1	Low	231 Å²	231	82.7 Å²	82.7	87%	0.872	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.1	178.7	-85	-174	167.7	179.3	-3.6	113.9	F782 K786	F782-R784 VanDerWaalsContact C-N 3.33Å; F782-R784 PolarHBondContact O-N 3.27Å; R784-K786 PolarHBondContact O-N 3.18Å
785	N	37.2	Very low	49.2	Very low	116 Å²	116	89.2 Å²	89.2	62%	0.62	47%	0.469	S	S	*	.	S	Bend	trans	-93.4	82.1	170.8	-77.4	-41	0	0	0	110.4	F782	F782-N785 PolarHBondContact O-N 3.19Å
786	K	38.2	Very low	47.1	Very low	186 Å²	186	96.2 Å²	96.2	81%	0.809	51%	0.505	S	S	*	.			trans	-60.6	137	172.6	-74.8	-175.5	174.6	-179.3	0	110.9	R784	R784-K786 PolarHBondContact O-N 3.18Å
787	S	36.3	Very low	44.9	Very low	109 Å²	109	101.5 Å²	101.5	76%	0.762	54%	0.541	S	S	*	.	S	Bend	trans	30.9	113.1	156	55.5	0	0	0	0	117.4
788	A	40.3	Very low	42.7	Very low	75 Å²	75	107.2 Å²	107.2	62%	0.62	58%	0.576	S	S	*	*	S	Bend	cis	-139.2	-18	47	0	0	0	0	0	116.6	I790 S791	A788-I790 VanDerWaalsContact C-N 3.26Å; A788-I790 PolarHBondContact O-N 2.85Å; A788-I790 VanDerWaalsContact O-N 3.1Å; A788-S791 PolarHBondContact O-N 2.65Å
789	K	39.5	Very low	40.6	Very low	190 Å²	190	118.4 Å²	118.4	83%	0.826	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-4.6	-167.2	-72.3	-170.7	174.8	-176.2	0	116.8	S792	K789-S792 PolarHBondContact O-OG 3.39Å; K789-S792 VanDerWaalsContact O-OG 3.09Å
790	I	39.7	Very low	38.8	Very low	87 Å²	87	126 Å²	126	45%	0.446	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.9	-32.1	177.3	-66	174.5	0	0	0	111.6	A788 S792 C793 L794	A788-I790 VanDerWaalsContact C-N 3.26Å; A788-I790 PolarHBondContact O-N 2.85Å; A788-I790 VanDerWaalsContact O-N 3.1Å; I790-S792 VanDerWaalsContact C-N 3.29Å; I790-S792 PolarHBondContact O-N 3.35Å; I790-C793 PolarHBondContact O-N 3.28Å; I790-C793 VanDerWaalsContact O-N 3.16Å; I790-L794 HydrophobicContact CG2-CD1 4.02Å; I790-L794 PolarHBondContact O-N 3.33Å
791	S	35.5	Very low	37.8	Very low	69 Å²	69	126.5 Å²	126.5	48%	0.483	67%	0.666	S	S	.	*	H	α-helix	trans	-66.3	-30.6	178.5	-60.8	0	0	0	0	112.9	A788 C793 N795	A788-S791 PolarHBondContact O-N 2.65Å; S791-C793 VanDerWaalsContact C-N 3.27Å; S791-C793 PolarHBondContact O-N 3.35Å; S791-N795 PolarHBondContact O-N 3.49Å
792	S	35.2	Very low	37	Very low	73 Å²	73	129.3 Å²	129.3	51%	0.51	68%	0.681	S	S	.	*	H	α-helix	trans	-62.1	-32.3	173.3	44.1	0	0	0	0	113.2	K789 I790	K789-S792 PolarHBondContact O-OG 3.39Å; K789-S792 VanDerWaalsContact O-OG 3.09Å; I790-S792 VanDerWaalsContact C-N 3.29Å; I790-S792 PolarHBondContact O-N 3.35Å
793	C	32.8	Very low	36.5	Very low	65 Å²	65	132.6 Å²	132.6	44%	0.439	70%	0.702	S	S	.	*	H	α-helix	trans	-85.9	-35	-177.9	-56.8	0	0	0	0	112.4	I790 S791	I790-C793 PolarHBondContact O-N 3.28Å; I790-C793 VanDerWaalsContact O-N 3.16Å; S791-C793 VanDerWaalsContact C-N 3.27Å; S791-C793 PolarHBondContact O-N 3.35Å
794	L	37.4	Very low	36.1	Very low	114 Å²	114	136.1 Å²	136.1	60%	0.597	71%	0.713	S	S	*	*	H	α-helix	trans	-71.4	-30	179.3	-74.3	168.3	0	0	0	113.3	I790 L796 C797	I790-L794 HydrophobicContact CG2-CD1 4.02Å; I790-L794 PolarHBondContact O-N 3.33Å; L794-L796 PolarHBondContact O-N 3.43Å; L794-C797 PolarHBondContact O-N 3.47Å
795	N	38.5	Very low	35.6	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-9.6	179.5	-76	-5.7	0	0	0	114.5	S791	S791-N795 PolarHBondContact O-N 3.49Å
796	L	34.2	Very low	35.5	Very low	147 Å²	147	131.1 Å²	131.1	77%	0.77	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-14.9	177.7	-93.4	148.8	0	0	0	113.8	L794	L794-L796 PolarHBondContact O-N 3.43Å
797	C	35.7	Very low	35.4	Very low	111 Å²	111	127.2 Å²	127.2	75%	0.75	70%	0.702	S	S	*	*	S	Bend	trans	-103.4	21.6	-173.1	-62	0	0	0	0	114.4	L794	L794-C797 PolarHBondContact O-N 3.47Å
798	V	31.6	Very low	35.3	Very low	121 Å²	121	128.6 Å²	128.6	73%	0.733	70%	0.697	S	S	*	*	S	Bend	trans	-121.3	28.5	-178.6	-162.4	0	0	0	0	111.3
799	R	27.8	Very low	34.9	Very low	238 Å²	238	133.1 Å²	133.1	90%	0.898	70%	0.703	S	S	*	*			trans	-148.2	48.4	178.1	-75.8	-163.7	173.3	-173.7	-1.8	114.5
800	I	30.5	Very low	34.4	Very low	244 Å²	244	127.9 Å²	127.9	100%	1.251	69%	0.692	S	S	*	*			trans	-139.3	0	145.3	-56.4	-174.8	0	0	0	106.3

Retrieved 800 of 800 residues in 339.2 ms (Link to these results)

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