A0A077Z5V9_TRITR Loading...

DNA gyrase subunit B

A type II topoisomerase that negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner.

AlphaFold DB (P0AES6), UniProt , Accession A0A077Z5V9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 804 aa.

						>A0A077Z5V9_TRITR|A0A077Z5V9
MSNSYDSSSIKVLKGLDAVRKRPGMYIGDTDDGTGLHHMVFEVVDNAIDEALAGHCKEIIVTIHADNSVSVQDDGRGIPTGIHPEEGVSAAEVIMTVLHAGGKFDDNSYKVSGGLHGVGVSVVNALSQKLELVIQREGKIHRQIYEHGVPQAPLAVTGETEKTGTMVRFWPSLETFTNVTEFEYEILAKRLRELSFLNSGVSIRLRDKRDGKEDHFHYEGGIKAFVEYLNKNKTPIHPNIFYFSTEKDGIGVEVALQWNDGFQENIYCFTNNIPQRDGGTHLAGFRAAMTRTLNAYMDKEGYSKKAKVSATGDDAREGLIAVVSVKVPDPKFSSQTKDKLVSSEVKSAVEQQMNELLAEYLLENPTDAKIVVGKIIDAARAREAARRAREMTRRKGALDLAGLPGKLADCQERDPALSELYLVEGDSAGGSAKQGRNRKNQAILPLKGKILNVEKARFDKMLSSQEVATLITALGCGIGRDEYNPDKLRYHSIIIMTDADVDGSHIRTLLLTFFYRQMPEIVERGHVYIAQPPLYKVKKGKQEQYIKDDEAMDQYQISIALDGATLHTNASAPALAGEALEKLVSEYNATQKMINRMERRYPKAMLKELIYQPTLTEADLSDEQTVTRWVNALVSELNDKEQHGSQWKFDVHTNAEQNLFEPIVRVRTHGVDTDYPLDHEFITGGEYRRICTLGEKLRGLLEEDAFIERGERRQPVASFEQALDWLVKESRRGLSIQRYKGLGEMNPEQLWETTMDPESRRMLRVTVKDAIAADQLFTTLMGDAVEPRRAFIEENALKAANIDI
					

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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	43.4	Very low	69.2	Low	240 Å²	240	124.2 Å²	124.2	100%	1.182	68%	0.68	S	S	*	*				0	116.9	0	-71.4	179.8	-172.2	0	0	107.2	N3	M1-N3 PolarHBondContact O-N 2.86Å
2	S	46.4	Very low	69.8	Low	116 Å²	116	123.3 Å²	123.3	81%	0.811	68%	0.681	S	S	*	*			trans	-68	116.6	172.9	47.9	0	0	0	0	108.7	S4	S2-S4 PolarHBondContact O-N 3.36Å
3	N	59.6	Low	70.3	Confident	170 Å²	170	119 Å²	119	91%	0.909	66%	0.656	S	S	*	*			trans	-67.6	86.7	166.8	-93.6	-6.1	0	0	0	108.4	M1 Y5	M1-N3 PolarHBondContact O-N 2.86Å; N3-Y5 PolarHBondContact O-N 3.16Å
4	S	63.8	Low	70.6	Confident	73 Å²	73	121.9 Å²	121.9	51%	0.51	66%	0.659	S	S	.	*			trans	-64.3	112.1	167.3	166.8	0	0	0	0	108.2	S2 D6	S2-S4 PolarHBondContact O-N 3.36Å; S4-D6 PolarHBondContact O-N 3.12Å; S4-D6 VanDerWaalsContact O-N 3.12Å; S4-D6 PolarHBondContact OG-OD2 3.28Å
5	Y	77.7	Confident	71.3	Confident	181 Å²	181	116.8 Å²	116.8	71%	0.71	65%	0.646	S	S	*	*			trans	-77.6	89.7	168.8	-176	-102.7	0	0	0	108.4	N3 S9 I10	N3-Y5 PolarHBondContact O-N 3.16Å; Y5-S9 VanDerWaalsContact CD2-CB 3.45Å; Y5-I10 HydrophobicContact CE2-CD1 4.5Å; Y5-I10 VanDerWaalsContact OH-CD1 3.23Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.45Å
6	D	83	Confident	72.3	Confident	70 Å²	70	110.3 Å²	110.3	37%	0.374	61%	0.61	S	S	.	*	S	Bend	trans	-115	-173.1	174.9	61.2	42.8	0	0	0	111.2	S4 S8 S9	S4-D6 PolarHBondContact O-N 3.12Å; S4-D6 VanDerWaalsContact O-N 3.12Å; S4-D6 PolarHBondContact OG-OD2 3.28Å; D6-S8 PolarHBondContact O-N 3.48Å; D6-S8 VanDerWaalsContact O-N 3.08Å; D6-S8 VanDerWaalsContact OD1-CB 3.23Å; D6-S8 WeakPolarHBondContact OD1-CB 3.23Å; D6-S8 PolarHBondContact OD1-N 3.08Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; D6-S9 WeakPolarHBondContact O-CB 3.21Å; D6-S9 PolarHBondContact O-N 2.87Å; D6-S9 PolarHBondContact O-OG 2.88Å
7	S	80	Confident	73.1	Confident	107 Å²	107	108.5 Å²	108.5	75%	0.748	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-56.1	-26.1	-178.8	53.3	0	0	0	0	113.9	S9 I10	S7-S9 PolarHBondContact O-N 2.55Å; S7-I10 PolarHBondContact O-N 3.43Å; S7-I10 VanDerWaalsContact O-N 3.17Å
8	S	77.2	Confident	73.9	Confident	93 Å²	93	103.6 Å²	103.6	65%	0.65	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-69.2	-16.7	175.4	74.8	0	0	0	0	113.3	D6 I10	D6-S8 PolarHBondContact O-N 3.48Å; D6-S8 VanDerWaalsContact O-N 3.08Å; D6-S8 VanDerWaalsContact OD1-CB 3.23Å; D6-S8 WeakPolarHBondContact OD1-CB 3.23Å; D6-S8 PolarHBondContact OD1-N 3.08Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; S8-I10 VanDerWaalsContact C-N 3.32Å
9	S	77.9	Confident	74.7	Confident	52 Å²	52	98.1 Å²	98.1	36%	0.364	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-78.3	-14.8	173.2	-59.4	0	0	0	0	113.2	Y5 D6 S7	Y5-S9 VanDerWaalsContact CD2-CB 3.45Å; D6-S9 WeakPolarHBondContact O-CB 3.21Å; D6-S9 PolarHBondContact O-N 2.87Å; D6-S9 PolarHBondContact O-OG 2.88Å; S7-S9 PolarHBondContact O-N 2.55Å
10	I	78.1	Confident	75.5	Confident	99 Å²	99	96.8 Å²	96.8	51%	0.508	53%	0.53	S	S	.	.			trans	-87.5	111.7	177.7	-52.5	-59.4	0	0	0	109.4	Y5 S7 S8	Y5-I10 HydrophobicContact CE2-CD1 4.5Å; Y5-I10 VanDerWaalsContact OH-CD1 3.23Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.45Å; S7-I10 PolarHBondContact O-N 3.43Å; S7-I10 VanDerWaalsContact O-N 3.17Å; S8-I10 VanDerWaalsContact C-N 3.32Å
11	K	73.6	Confident	76.1	Confident	165 Å²	165	97.6 Å²	97.6	72%	0.717	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-100.4	122.4	176	-65.1	-174.5	180	-179	0	110.1
12	V	76.5	Confident	78.2	Confident	113 Å²	113	94.3 Å²	94.3	69%	0.685	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-93.8	118.1	170.8	-177.8	0	0	0	0	108.1	K14	V12-K14 HydrophobicContact CG1-CG 4.08Å
13	L	76.8	Confident	80.3	Confident	68 Å²	68	89.7 Å²	89.7	36%	0.356	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-90.2	122.9	172.7	-56.3	175.4	0	0	0	107.9	A18 K21	L13-A18 HydrophobicContact CB-CB 3.93Å; L13-K21 HydrophobicContact CD1-CB 3.9Å; L13-K21 HydrophobicContact CD1-CD 3.83Å; L13-K21 HydrophobicContact CD1-CG 4.09Å; L13-K21 HydrophobicContact CD2-CD 3.64Å; L13-K21 HydrophobicContact CD2-CG 4.25Å; L13-K21 HydrophobicContact CG-CD 4.41Å
14	K	73.7	Confident	81.5	Confident	160 Å²	160	83.5 Å²	83.5	70%	0.696	45%	0.447	S	S	*	.			trans	-110	143.1	-178.1	-66	-174.1	178.6	-176.9	0	110.4	V12 L16 D17	V12-K14 HydrophobicContact CG1-CG 4.08Å; K14-L16 PolarHBondContact O-N 2.74Å; K14-D17 WeakPolarHBondContact O-CB 3.28Å; K14-D17 PolarHBondContact O-N 3.18Å
15	G	81.1	Confident	82.4	Confident	45 Å²	45	86.3 Å²	86.3	46%	0.464	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-133.9	175.3	0	0	0	0	0	113.1	D17 A18	G15-D17 PolarHBondContact O-N 2.84Å; G15-A18 PolarHBondContact O-N 2.76Å
16	L	88.1	Confident	82.8	Confident	13 Å²	13	80.4 Å²	80.4	7%	0.068	43%	0.43	C	S	.	.	H	α-helix	trans	-67.6	-15.1	-176.9	-58	-172.5	0	0	0	114.6	K14 A18 V19 R20 T96 L98 A125	K14-L16 PolarHBondContact O-N 2.74Å; L16-A18 PolarHBondContact O-N 3.45Å; L16-V19 HydrophobicContact CD2-CG2 4.5Å; L16-V19 WeakPolarHBondContact O-CB 3.23Å; L16-V19 PolarHBondContact O-N 3.46Å; L16-R20 PolarHBondContact O-N 2.88Å; L16-R20 VanDerWaalsContact O-N 3.11Å; L16-T96 WeakPolarHBondContact CG-O 3.15Å; L16-L98 HydrophobicContact CD2-CD2 3.83Å; L16-L98 HydrophobicContact CD2-CG 4.04Å; L16-A125 HydrophobicContact CB-CB 3.8Å; L16-A125 HydrophobicContact CD1-CB 4.01Å; L16-A125 HydrophobicContact CD2-CB 4.08Å; L16-A125 HydrophobicContact CG-CB 4.16Å
17	D	85.8	Confident	83	Confident	79 Å²	79	77.1 Å²	77.1	42%	0.422	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-33.5	174.4	-75.3	-24.8	0	0	0	111.9	K14 G15 V19 R20 K21	K14-D17 WeakPolarHBondContact O-CB 3.28Å; K14-D17 PolarHBondContact O-N 3.18Å; G15-D17 PolarHBondContact O-N 2.84Å; D17-V19 VanDerWaalsContact C-N 3.31Å; D17-R20 IonicContact OD1-CZ 2.73Å; D17-R20 IonicContact OD1-NE 3.8Å; D17-R20 IonicContact OD1-NH2 3.62Å; D17-R20 PolarHBondContact OD1-NH2 3.17Å; D17-K21 WeakPolarHBondContact O-CG 3.48Å; D17-K21 PolarHBondContact O-N 2.79Å; D17-K21 VanDerWaalsContact O-N 3.15Å
18	A	87	Confident	83.1	Confident	20 Å²	20	72.6 Å²	72.6	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-40.5	176.6	0	0	0	0	0	111.3	L13 G15 L16 K21 R22	L13-A18 HydrophobicContact CB-CB 3.93Å; G15-A18 PolarHBondContact O-N 2.76Å; L16-A18 PolarHBondContact O-N 3.45Å; A18-K21 PolarHBondContact O-N 3.02Å; A18-R22 PolarHBondContact O-N 2.85Å
19	V	90.5	Very high	83.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-51.7	177.6	-175.6	0	0	0	0	110.6	L16 D17 K21 R22 P23 Y26 L98 V122 A125 L126	L16-V19 HydrophobicContact CD2-CG2 4.5Å; L16-V19 WeakPolarHBondContact O-CB 3.23Å; L16-V19 PolarHBondContact O-N 3.46Å; D17-V19 VanDerWaalsContact C-N 3.31Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 3.46Å; V19-R22 CarbonylContact O-C 3.54Å; V19-R22 PolarHBondContact O-N 2.97Å; V19-R22 VanDerWaalsContact O-N 3.15Å; V19-P23 VanDerWaalsContact O-CA 3.28Å; V19-P23 WeakPolarHBondContact O-CA 3.49Å; V19-P23 WeakPolarHBondContact O-CD 3.32Å; V19-Y26 HydrophobicContact CB-CD2 4.24Å; V19-Y26 HydrophobicContact CB-CE2 4.26Å; V19-Y26 HydrophobicContact CG1-CD2 4Å; V19-Y26 HydrophobicContact CG1-CG 4.1Å; V19-Y26 HydrophobicContact CG2-CD1 4.19Å; V19-Y26 HydrophobicContact CG2-CD2 4.28Å; V19-Y26 HydrophobicContact CG2-CE1 4Å; V19-Y26 HydrophobicContact CG2-CE2 4.12Å; V19-Y26 HydrophobicContact CG2-CG 4.32Å; V19-L98 HydrophobicContact CG2-CD1 3.89Å; V19-L98 HydrophobicContact CG2-CD2 3.97Å; V19-L98 HydrophobicContact CG2-CG 4.45Å; V19-V122 HydrophobicContact CG1-CB 4.15Å; V19-V122 HydrophobicContact CG1-CG1 3.81Å; V19-V122 HydrophobicContact CG1-CG2 3.82Å; V19-V122 HydrophobicContact CG2-CG2 4.02Å; V19-A125 HydrophobicContact CB-CB 4.01Å; V19-A125 HydrophobicContact CG1-CB 3.94Å; V19-L126 HydrophobicContact CG1-CD1 4.39Å; V19-L126 HydrophobicContact CG1-CD2 3.97Å; V19-L126 HydrophobicContact CG1-CG 4.05Å
20	R	90.6	Very high	83.9	Confident	71 Å²	71	70.3 Å²	70.3	27%	0.268	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-35.3	179.8	-77.3	-174.1	-73.2	-91	10	113.7	L16 D17 A125 L126 H147	L16-R20 PolarHBondContact O-N 2.88Å; L16-R20 VanDerWaalsContact O-N 3.11Å; D17-R20 IonicContact OD1-CZ 2.73Å; D17-R20 IonicContact OD1-NE 3.8Å; D17-R20 IonicContact OD1-NH2 3.62Å; D17-R20 PolarHBondContact OD1-NH2 3.17Å; R20-A125 HydrophobicContact CG-CB 4.5Å; R20-A125 WeakPolarHBondContact CG-O 3.45Å; R20-L126 HydrophobicContact CG-CD2 4.43Å; R20-H147 PolarHBondContact NH1-O 3.37Å
21	K	88	Confident	84.1	Confident	114 Å²	114	69.5 Å²	69.5	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-77	-25.1	179.3	-70	-141.9	-175.4	-179.2	0	113.9	L13 D17 A18 V19	L13-K21 HydrophobicContact CD1-CB 3.9Å; L13-K21 HydrophobicContact CD1-CD 3.83Å; L13-K21 HydrophobicContact CD1-CG 4.09Å; L13-K21 HydrophobicContact CD2-CD 3.64Å; L13-K21 HydrophobicContact CD2-CG 4.25Å; L13-K21 HydrophobicContact CG-CD 4.41Å; D17-K21 WeakPolarHBondContact O-CG 3.48Å; D17-K21 PolarHBondContact O-N 2.79Å; D17-K21 VanDerWaalsContact O-N 3.15Å; A18-K21 PolarHBondContact O-N 3.02Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 3.46Å
22	R	87.7	Confident	84.5	Confident	171 Å²	171	65.8 Å²	65.8	65%	0.645	35%	0.345	S	S	*	.			trans	-138.2	56.7	-176.1	-63.2	-64	-176.6	-155.3	5.2	111	A18 V19 G24 M25 Y26	A18-R22 PolarHBondContact O-N 2.85Å; V19-R22 CarbonylContact O-C 3.54Å; V19-R22 PolarHBondContact O-N 2.97Å; V19-R22 VanDerWaalsContact O-N 3.15Å; R22-G24 PolarHBondContact O-N 3.44Å; R22-M25 HydrophobicContact CB-CG 4.28Å; R22-M25 HydrophobicContact CB-SD 4.01Å; R22-M25 HydrophobicContact CG-SD 4.42Å; R22-M25 PolarHBondContact O-N 3.03Å; R22-M25 VanDerWaalsContact O-N 3.1Å; R22-Y26 VanDerWaalsContact O-CD2 3.29Å; R22-Y26 WeakPolarHBondContact O-CD2 3.24Å
23	P	89.6	Confident	84.8	Confident	19 Å²	19	60.5 Å²	60.5	12%	0.123	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.4	-173.8	24.8	-35.8	0	0	0	112	V19 M25 Y26 I27 T30 L126 T175	V19-P23 VanDerWaalsContact O-CA 3.28Å; V19-P23 WeakPolarHBondContact O-CA 3.49Å; V19-P23 WeakPolarHBondContact O-CD 3.32Å; P23-M25 PolarHBondContact O-N 2.91Å; P23-Y26 PolarHBondContact O-N 3.44Å; P23-I27 PolarHBondContact O-N 2.67Å; P23-T30 HydrophobicContact CB-CG2 3.66Å; P23-T30 HydrophobicContact CG-CG2 3.61Å; P23-L126 HydrophobicContact CB-CD1 3.91Å; P23-L126 HydrophobicContact CB-CD2 3.86Å; P23-T175 HydrophobicContact CB-CG2 3.96Å; P23-T175 HydrophobicContact CG-CG2 3.98Å
24	G	85.1	Confident	85.3	Confident	40 Å²	40	60.2 Å²	60.2	41%	0.412	31%	0.314	S	S	.	.	H	α-helix	trans	-47.6	-35.6	176.2	0	0	0	0	0	115.4	R22 Y26 G28	R22-G24 PolarHBondContact O-N 3.44Å; G24-Y26 VanDerWaalsContact C-N 3.3Å; G24-Y26 PolarHBondContact O-N 3.45Å; G24-G28 VanDerWaalsContact CA-O 3.27Å; G24-G28 WeakPolarHBondContact CA-O 3.06Å; G24-G28 PolarHBondContact O-N 3.15Å
25	M	83.5	Confident	86	Confident	132 Å²	132	52.6 Å²	52.6	65%	0.65	28%	0.281	S	S	*	.	H	α-helix	trans	-72.9	-23.1	-179.2	-67.6	-177.3	62.3	0	0	113.5	R22 P23	R22-M25 HydrophobicContact CB-CG 4.28Å; R22-M25 HydrophobicContact CB-SD 4.01Å; R22-M25 HydrophobicContact CG-SD 4.42Å; R22-M25 PolarHBondContact O-N 3.03Å; R22-M25 VanDerWaalsContact O-N 3.1Å; P23-M25 PolarHBondContact O-N 2.91Å
26	Y	85.4	Confident	86.6	Confident	57 Å²	57	50.4 Å²	50.4	22%	0.224	26%	0.259	C	S	.	.	H	α-helix	trans	-104.2	-40.7	-172.3	-62.3	-89.2	0	0	0	112.2	V19 R22 P23 G24 L98 V118 V122	V19-Y26 HydrophobicContact CB-CD2 4.24Å; V19-Y26 HydrophobicContact CB-CE2 4.26Å; V19-Y26 HydrophobicContact CG1-CD2 4Å; V19-Y26 HydrophobicContact CG1-CG 4.1Å; V19-Y26 HydrophobicContact CG2-CD1 4.19Å; V19-Y26 HydrophobicContact CG2-CD2 4.28Å; V19-Y26 HydrophobicContact CG2-CE1 4Å; V19-Y26 HydrophobicContact CG2-CE2 4.12Å; V19-Y26 HydrophobicContact CG2-CG 4.32Å; R22-Y26 VanDerWaalsContact O-CD2 3.29Å; R22-Y26 WeakPolarHBondContact O-CD2 3.24Å; P23-Y26 PolarHBondContact O-N 3.44Å; G24-Y26 VanDerWaalsContact C-N 3.3Å; G24-Y26 PolarHBondContact O-N 3.45Å; Y26-L98 HydrophobicContact CE1-CD1 4.5Å; Y26-V118 HydrophobicContact CD1-CG1 4Å; Y26-V122 HydrophobicContact CD1-CG2 3.9Å; Y26-V122 HydrophobicContact CG-CG2 4.11Å
27	I	86.5	Confident	86.8	Confident	2 Å²	2	50 Å²	50	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-118.9	-5.8	-170.2	-150.1	60	0	0	0	113.8	P23 G35 H38 M39 E42 V122 L126	P23-I27 PolarHBondContact O-N 2.67Å; I27-G35 VanDerWaalsContact CG1-O 3.26Å; I27-G35 WeakPolarHBondContact CG1-O 3.08Å; I27-G35 WeakPolarHBondContact O-CA 3.23Å; I27-H38 HydrophobicContact CD1-CB 3.93Å; I27-H38 HydrophobicContact CG1-CB 3.92Å; I27-H38 PolarHBondContact O-ND1 2.96Å; I27-M39 HydrophobicContact CD1-CG 4.35Å; I27-M39 HydrophobicContact CG1-CG 3.92Å; I27-E42 HydrophobicContact CD1-CG 3.95Å; I27-V122 HydrophobicContact CB-CG1 4.37Å; I27-V122 HydrophobicContact CD1-CG1 4.4Å; I27-L126 HydrophobicContact CB-CD1 4.27Å; I27-L126 HydrophobicContact CG2-CD1 3.81Å
28	G	83.1	Confident	87	Confident	11 Å²	11	47.9 Å²	47.9	11%	0.113	24%	0.244	C	C	.	.	S	Bend	trans	90.6	-170.8	-171.7	0	0	0	0	0	112.3	G24 T30	G24-G28 VanDerWaalsContact CA-O 3.27Å; G24-G28 WeakPolarHBondContact CA-O 3.06Å; G24-G28 PolarHBondContact O-N 3.15Å; G28-T30 PolarHBondContact O-N 2.94Å
29	D	84.5	Confident	87.3	Confident	78 Å²	78	47 Å²	47	42%	0.417	24%	0.236	S	C	.	.			trans	-61.9	131.4	-171.4	-163.3	-30.4	0	0	0	111.9	D31 T34 G35	D29-D31 WeakPolarHBondContact OD1-CB 3.4Å; D29-D31 PolarHBondContact OD1-N 3.46Å; D29-T34 PolarHBondContact O-OG1 2.55Å; D29-G35 VanDerWaalsContact O-CA 3.31Å; D29-G35 WeakPolarHBondContact O-CA 3.45Å; D29-G35 PolarHBondContact O-N 3.3Å
30	T	86.5	Confident	87.5	Confident	20 Å²	20	47 Å²	47	12%	0.123	24%	0.237	C	C	.	.	S	Bend	trans	-90.9	-14	-179.4	51.1	0	0	0	0	113.2	P23 G28 T175 F176	P23-T30 HydrophobicContact CB-CG2 3.66Å; P23-T30 HydrophobicContact CG-CG2 3.61Å; G28-T30 PolarHBondContact O-N 2.94Å; T30-T175 HydrophobicContact CG2-CG2 4Å; T30-F176 HydrophobicContact CG2-CD1 4.39Å; T30-F176 HydrophobicContact CG2-CE1 3.96Å
31	D	82.7	Confident	87.5	Confident	82 Å²	82	45.2 Å²	45.2	44%	0.439	23%	0.231	S	C	.	.	S	Bend	trans	-94.7	-25.6	-172.6	-68.1	-25.8	0	0	0	112.8	D29 N178	D29-D31 WeakPolarHBondContact OD1-CB 3.4Å; D29-D31 PolarHBondContact OD1-N 3.46Å; D31-N178 WeakPolarHBondContact O-CB 3.42Å
32	D	82.2	Confident	87.6	Confident	86 Å²	86	40.2 Å²	40.2	46%	0.46	21%	0.209	S	C	.	.	S	Bend	trans	-98.2	-3.9	-177.7	77.4	-8.4	0	0	0	114.2	T34	D32-T34 VanDerWaalsContact OD1-CB 3.27Å; D32-T34 WeakPolarHBondContact OD1-CB 3.41Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.49Å; D32-T34 PolarHBondContact OD1-N 2.98Å; D32-T34 PolarHBondContact OD1-OG1 2.85Å; D32-T34 VanDerWaalsContact OD2-CG2 3.31Å; D32-T34 WeakPolarHBondContact OD2-CG2 3.22Å; D32-T34 PolarHBondContact OD2-OG1 2.88Å
33	G	83.5	Confident	87.9	Confident	2 Å²	2	32.5 Å²	32.5	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	86.6	-6.7	-178.1	0	0	0	0	0	115.1	G35 L36 H37	G33-G35 PolarHBondContact O-N 3.01Å; G33-L36 WeakPolarHBondContact O-CB 3.41Å; G33-L36 PolarHBondContact O-N 2.83Å; G33-H37 PolarHBondContact O-N 3.4Å; G33-H37 PolarHBondContact O-ND1 3.35Å
34	T	85.6	Confident	88.1	Confident	62 Å²	62	31.6 Å²	31.6	38%	0.38	18%	0.175	S	C	.	.	H	α-helix	trans	-63.3	-44	178.7	57.8	0	0	0	0	111.8	D29 D32 L36 H37 H38	D29-T34 PolarHBondContact O-OG1 2.55Å; D32-T34 VanDerWaalsContact OD1-CB 3.27Å; D32-T34 WeakPolarHBondContact OD1-CB 3.41Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.49Å; D32-T34 PolarHBondContact OD1-N 2.98Å; D32-T34 PolarHBondContact OD1-OG1 2.85Å; D32-T34 VanDerWaalsContact OD2-CG2 3.31Å; D32-T34 WeakPolarHBondContact OD2-CG2 3.22Å; D32-T34 PolarHBondContact OD2-OG1 2.88Å; T34-L36 VanDerWaalsContact C-N 3.3Å; T34-L36 PolarHBondContact O-N 3.15Å; T34-H37 PolarHBondContact O-N 2.97Å; T34-H38 WeakPolarHBondContact O-CB 3.48Å; T34-H38 PolarHBondContact O-N 3.12Å
35	G	89.1	Confident	88.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-34.3	175	0	0	0	0	0	113.4	I27 D29 G33 H38 M39	I27-G35 VanDerWaalsContact CG1-O 3.26Å; I27-G35 WeakPolarHBondContact CG1-O 3.08Å; I27-G35 WeakPolarHBondContact O-CA 3.23Å; D29-G35 VanDerWaalsContact O-CA 3.31Å; D29-G35 WeakPolarHBondContact O-CA 3.45Å; D29-G35 PolarHBondContact O-N 3.3Å; G33-G35 PolarHBondContact O-N 3.01Å; G35-H38 PolarHBondContact O-N 3.39Å; G35-M39 PolarHBondContact O-N 3.05Å
36	L	92.8	Very high	88.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-49.6	176.4	178.4	65.2	0	0	0	110.8	G33 T34 H38 M39 P171 F176 V179 F182	G33-L36 WeakPolarHBondContact O-CB 3.41Å; G33-L36 PolarHBondContact O-N 2.83Å; T34-L36 VanDerWaalsContact C-N 3.3Å; T34-L36 PolarHBondContact O-N 3.15Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; L36-M39 WeakPolarHBondContact O-CB 3.36Å; L36-M39 PolarHBondContact O-N 3.11Å; L36-P171 HydrophobicContact CD1-CB 3.6Å; L36-P171 HydrophobicContact CD1-CG 3.49Å; L36-P171 VanDerWaalsContact CD1-CG 3.49Å; L36-F176 HydrophobicContact CB-CD1 3.93Å; L36-F176 HydrophobicContact CB-CE1 3.9Å; L36-F176 HydrophobicContact CD1-CD1 4.35Å; L36-F176 HydrophobicContact CD1-CD2 4.19Å; L36-F176 HydrophobicContact CD1-CE1 4.5Å; L36-F176 HydrophobicContact CD1-CE2 4.35Å; L36-F176 HydrophobicContact CD1-CG 4.2Å; L36-F176 HydrophobicContact CD1-CZ 4.49Å; L36-V179 HydrophobicContact CD2-CG1 4.48Å; L36-F182 HydrophobicContact CD1-CD1 4.37Å; L36-F182 HydrophobicContact CD1-CE1 3.67Å; L36-F182 HydrophobicContact CD1-CE2 4.33Å; L36-F182 HydrophobicContact CD1-CZ 3.67Å; L36-F182 HydrophobicContact CD2-CD1 4.27Å; L36-F182 HydrophobicContact CD2-CE1 4.38Å; L36-F182 HydrophobicContact CG-CD1 3.9Å; L36-F182 HydrophobicContact CG-CE1 3.61Å; L36-F182 HydrophobicContact CG-CZ 4.12Å; L36-F182 WeakPolarHBondContact O-CE1 3.32Å
37	H	92.6	Very high	88.8	Confident	3 Å²	3	23.9 Å²	23.9	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-68.9	-34.2	179	-66.5	83.4	0	0	0	112.5	G33 T34 M39 V40 F41 E183 I186 L187	G33-H37 PolarHBondContact O-N 3.4Å; G33-H37 PolarHBondContact O-ND1 3.35Å; T34-H37 PolarHBondContact O-N 2.97Å; H37-M39 PolarHBondContact O-N 2.84Å; H37-V40 WeakPolarHBondContact O-CB 3.28Å; H37-V40 PolarHBondContact O-N 3.49Å; H37-F41 HydrophobicContact CB-CE2 4.24Å; H37-F41 HydrophobicContact CB-CZ 4.29Å; H37-F41 PolarHBondContact O-N 2.95Å; H37-E183 WeakPolarHBondContact NE2-CA 3.46Å; H37-E183 WeakPolarHBondContact NE2-CB 3.44Å; H37-E183 PolarHBondContact NE2-N 3.07Å; H37-I186 HydrophobicContact CB-CG2 4.02Å; H37-L187 HydrophobicContact CB-CD2 4.45Å
38	H	89.7	Confident	89	Confident	36 Å²	36	23.9 Å²	23.9	17%	0.167	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-27.6	178.5	-167.4	-179.5	0	0	0	112.1	I27 T34 G35 L36 V40 F41 E42	I27-H38 HydrophobicContact CD1-CB 3.93Å; I27-H38 HydrophobicContact CG1-CB 3.92Å; I27-H38 PolarHBondContact O-ND1 2.96Å; T34-H38 WeakPolarHBondContact O-CB 3.48Å; T34-H38 PolarHBondContact O-N 3.12Å; G35-H38 PolarHBondContact O-N 3.39Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; H38-V40 VanDerWaalsContact C-N 3.28Å; H38-V40 PolarHBondContact O-N 2.84Å; H38-F41 PolarHBondContact O-N 2.91Å; H38-F41 VanDerWaalsContact O-N 3.16Å; H38-E42 IonicContact NE2-OE1 2.78Å; H38-E42 PolarHBondContact O-N 2.76Å
39	M	93.4	Very high	89.2	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-42.1	168.4	-67.3	178.2	62.5	0	0	112.1	I27 G35 L36 H37 F41 V43 V123 L126 S127 F169 F176	I27-M39 HydrophobicContact CD1-CG 4.35Å; I27-M39 HydrophobicContact CG1-CG 3.92Å; G35-M39 PolarHBondContact O-N 3.05Å; L36-M39 WeakPolarHBondContact O-CB 3.36Å; L36-M39 PolarHBondContact O-N 3.11Å; H37-M39 PolarHBondContact O-N 2.84Å; M39-F41 VanDerWaalsContact C-N 3.34Å; M39-V43 WeakPolarHBondContact O-CG2 3.35Å; M39-V43 PolarHBondContact O-N 2.86Å; M39-V123 HydrophobicContact CB-CG1 4.46Å; M39-V123 HydrophobicContact CB-CG2 4.05Å; M39-V123 HydrophobicContact CE-CB 4.34Å; M39-V123 HydrophobicContact CE-CG1 3.81Å; M39-V123 WeakPolarHBondContact CE-O 3.37Å; M39-V123 HydrophobicContact CG-CG2 4.43Å; M39-V123 WeakPolarHBondContact O-CG2 3.48Å; M39-L126 HydrophobicContact CE-CB 3.98Å; M39-L126 HydrophobicContact SD-CB 4Å; M39-S127 WeakPolarHBondContact CE-OG 3.28Å; M39-F169 HydrophobicContact CB-CE2 3.93Å; M39-F169 HydrophobicContact CB-CZ 4.02Å; M39-F169 HydrophobicContact CE-CD2 3.77Å; M39-F169 HydrophobicContact CE-CE2 3.76Å; M39-F176 HydrophobicContact CG-CZ 4.4Å; M39-F176 HydrophobicContact SD-CE2 3.41Å; M39-F176 WeakPolarHBondContact SD-CE2 3.29Å; M39-F176 HydrophobicContact SD-CZ 3.46Å; M39-F176 WeakPolarHBondContact SD-CZ 3.19Å
40	V	95	Very high	89.4	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-43.9	177	-174.3	0	0	0	0	110.1	H37 H38 E42 V43 V44 V61 V69 V71 F169 F182 L187	H37-V40 WeakPolarHBondContact O-CB 3.28Å; H37-V40 PolarHBondContact O-N 3.49Å; H38-V40 VanDerWaalsContact C-N 3.28Å; H38-V40 PolarHBondContact O-N 2.84Å; V40-E42 PolarHBondContact O-N 2.93Å; V40-V43 PolarHBondContact O-N 2.91Å; V40-V44 HydrophobicContact CG1-CG2 4.14Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 3.43Å; V40-V61 HydrophobicContact CG1-CG1 4.12Å; V40-V69 HydrophobicContact CG1-CG1 4.01Å; V40-V69 HydrophobicContact CG2-CB 4.36Å; V40-V69 HydrophobicContact CG2-CG1 4.02Å; V40-V69 HydrophobicContact CG2-CG2 4.29Å; V40-V71 HydrophobicContact CG1-CG2 4.34Å; V40-F169 HydrophobicContact CB-CZ 4.47Å; V40-F169 HydrophobicContact CG2-CZ 3.78Å; V40-F182 HydrophobicContact CG2-CD1 3.87Å; V40-F182 HydrophobicContact CG2-CE1 3.48Å; V40-F182 VanDerWaalsContact CG2-CE1 3.48Å; V40-F182 HydrophobicContact CG2-CZ 4.27Å; V40-L187 HydrophobicContact CB-CD2 3.88Å; V40-L187 HydrophobicContact CG1-CD1 4.33Å; V40-L187 HydrophobicContact CG1-CD2 3.94Å; V40-L187 HydrophobicContact CG2-CD1 4.39Å; V40-L187 HydrophobicContact CG2-CD2 4Å
41	F	91.6	Very high	89.5	Confident	33 Å²	33	20.6 Å²	20.6	15%	0.145	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-38.2	-178	-56.1	-28.8	0	0	0	112.7	H37 H38 M39 V43 V44 D45 I186 L187 R190	H37-F41 HydrophobicContact CB-CE2 4.24Å; H37-F41 HydrophobicContact CB-CZ 4.29Å; H37-F41 PolarHBondContact O-N 2.95Å; H38-F41 PolarHBondContact O-N 2.91Å; H38-F41 VanDerWaalsContact O-N 3.16Å; M39-F41 VanDerWaalsContact C-N 3.34Å; F41-V43 VanDerWaalsContact C-N 3.28Å; F41-V43 PolarHBondContact O-N 3.27Å; F41-V44 PolarHBondContact O-N 3.24Å; F41-D45 VanDerWaalsContact O-CB 3.3Å; F41-D45 WeakPolarHBondContact O-CB 3.32Å; F41-D45 PolarHBondContact O-N 2.88Å; F41-I186 HydrophobicContact CZ-CG2 4.02Å; F41-L187 HydrophobicContact CD1-CD2 4.38Å; F41-L187 HydrophobicContact CE1-CD2 3.6Å; F41-L187 HydrophobicContact CZ-CD2 4.11Å; F41-R190 HydrophobicContact CD1-CB 4.16Å; F41-R190 HydrophobicContact CD1-CG 3.68Å; F41-R190 HydrophobicContact CD2-CG 4.48Å; F41-R190 HydrophobicContact CE1-CB 3.46Å; F41-R190 VanDerWaalsContact CE1-CB 3.46Å; F41-R190 HydrophobicContact CE1-CG 3.5Å; F41-R190 VanDerWaalsContact CE1-CG 3.5Å; F41-R190 HydrophobicContact CE2-CG 4.34Å; F41-R190 HydrophobicContact CG-CG 4.18Å; F41-R190 HydrophobicContact CZ-CB 3.67Å; F41-R190 HydrophobicContact CZ-CG 3.85Å
42	E	89.9	Confident	89.4	Confident	10 Å²	10	20.1 Å²	20.1	5%	0.047	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-33.8	175.5	-74.1	-68.7	162.6	0	0	112.5	I27 H38 V40 N46 G119 V123	I27-E42 HydrophobicContact CD1-CG 3.95Å; H38-E42 IonicContact NE2-OE1 2.78Å; H38-E42 PolarHBondContact O-N 2.76Å; V40-E42 PolarHBondContact O-N 2.93Å; E42-N46 PolarHBondContact O-ND2 3.16Å; E42-N46 VanDerWaalsContact O-ND2 3.16Å; E42-G119 WeakPolarHBondContact OE2-CA 3.4Å; E42-V123 HydrophobicContact CB-CG2 4.06Å
43	V	93.7	Very high	89.4	Confident	8 Å²	8	17.8 Å²	17.8	5%	0.048	10%	0.101	C	C	.	.	H	α-helix	trans	-75	-43.3	174.5	-172.6	0	0	0	0	111.1	M39 V40 F41 D45 N46 A47 V71 V123 V167 F169	M39-V43 WeakPolarHBondContact O-CG2 3.35Å; M39-V43 PolarHBondContact O-N 2.86Å; V40-V43 PolarHBondContact O-N 2.91Å; F41-V43 VanDerWaalsContact C-N 3.28Å; F41-V43 PolarHBondContact O-N 3.27Å; V43-D45 PolarHBondContact O-N 3.49Å; V43-N46 PolarHBondContact O-N 3.2Å; V43-A47 PolarHBondContact O-N 2.95Å; V43-V71 HydrophobicContact CB-CB 4.33Å; V43-V71 HydrophobicContact CB-CG2 4.02Å; V43-V71 HydrophobicContact CG1-CB 3.61Å; V43-V71 HydrophobicContact CG1-CG1 4.11Å; V43-V71 HydrophobicContact CG1-CG2 3.83Å; V43-V123 HydrophobicContact CG2-CB 4.37Å; V43-V123 HydrophobicContact CG2-CG1 3.96Å; V43-V123 HydrophobicContact CG2-CG2 4Å; V43-V167 HydrophobicContact CG1-CB 3.82Å; V43-V167 HydrophobicContact CG1-CG1 4.11Å; V43-V167 HydrophobicContact CG1-CG2 4.25Å; V43-V167 HydrophobicContact CG2-CG1 4.34Å; V43-F169 HydrophobicContact CG2-CD1 4.49Å; V43-F169 HydrophobicContact CG2-CE1 4.2Å
44	V	93.7	Very high	89.5	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-40.7	177.7	170.9	0	0	0	0	111.8	V40 F41 N46 A47 I48 V61 V71 L191 L194	V40-V44 HydrophobicContact CG1-CG2 4.14Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 3.43Å; F41-V44 PolarHBondContact O-N 3.24Å; V44-N46 PolarHBondContact O-N 3.33Å; V44-A47 WeakPolarHBondContact O-CA 3.45Å; V44-A47 WeakPolarHBondContact O-CB 3.4Å; V44-A47 PolarHBondContact O-N 3.2Å; V44-I48 HydrophobicContact CG1-CG1 4.14Å; V44-I48 WeakPolarHBondContact O-CG1 3.28Å; V44-I48 PolarHBondContact O-N 3.27Å; V44-V61 HydrophobicContact CG2-CG2 3.83Å; V44-V71 HydrophobicContact CG2-CG1 3.95Å; V44-V71 HydrophobicContact CG2-CG2 3.85Å; V44-L191 HydrophobicContact CG1-CD2 3.72Å; V44-L191 HydrophobicContact CG2-CD2 4.03Å; V44-L194 HydrophobicContact CG1-CD1 3.62Å
45	D	88.9	Confident	89.8	Confident	12 Å²	12	22 Å²	22	6%	0.064	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-33.3	-179.4	-78	-11.4	0	0	0	111.2	F41 V43 I48 D49 R190	F41-D45 VanDerWaalsContact O-CB 3.3Å; F41-D45 WeakPolarHBondContact O-CB 3.32Å; F41-D45 PolarHBondContact O-N 2.88Å; V43-D45 PolarHBondContact O-N 3.49Å; D45-I48 PolarHBondContact O-N 3.15Å; D45-D49 VanDerWaalsContact O-CG 3.29Å; D45-D49 PolarHBondContact O-N 3.45Å; D45-R190 IonicContact OD1-NH2 3.6Å
46	N	88.7	Confident	90	Very high	55 Å²	55	22.4 Å²	22.4	29%	0.294	14%	0.136	S	C	.	.	H	α-helix	trans	-67.3	-38.7	173	-66.5	-36.3	0	0	0	112.4	E42 V43 V44 I48 D49 E50	E42-N46 PolarHBondContact O-ND2 3.16Å; E42-N46 VanDerWaalsContact O-ND2 3.16Å; V43-N46 PolarHBondContact O-N 3.2Å; V44-N46 PolarHBondContact O-N 3.33Å; N46-I48 VanDerWaalsContact C-N 3.34Å; N46-D49 PolarHBondContact O-N 2.59Å; N46-E50 PolarHBondContact O-N 3.06Å
47	A	92.2	Very high	90.1	Very high	1 Å²	1	30 Å²	30	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-37.8	173.7	0	0	0	0	0	111.6	V43 V44 D49 E50 A51 I59 D73	V43-A47 PolarHBondContact O-N 2.95Å; V44-A47 WeakPolarHBondContact O-CA 3.45Å; V44-A47 WeakPolarHBondContact O-CB 3.4Å; V44-A47 PolarHBondContact O-N 3.2Å; A47-D49 VanDerWaalsContact C-N 3.35Å; A47-E50 WeakPolarHBondContact O-CB 3.29Å; A47-E50 PolarHBondContact O-N 3.4Å; A47-A51 PolarHBondContact O-N 3.13Å; A47-A51 VanDerWaalsContact O-N 3.11Å; A47-I59 HydrophobicContact CB-CD1 3.74Å; A47-I59 HydrophobicContact CB-CG1 4.03Å; A47-I59 HydrophobicContact CB-CG2 4.17Å; A47-D73 HydrophobicContact CB-CB 3.74Å
48	I	90.5	Very high	90.2	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-36.9	173.7	-66.7	-69.5	0	0	0	111.5	V44 D45 N46 E50 A51 L52 I59 L194 I203 N272	V44-I48 HydrophobicContact CG1-CG1 4.14Å; V44-I48 WeakPolarHBondContact O-CG1 3.28Å; V44-I48 PolarHBondContact O-N 3.27Å; D45-I48 PolarHBondContact O-N 3.15Å; N46-I48 VanDerWaalsContact C-N 3.34Å; I48-E50 VanDerWaalsContact C-N 3.3Å; I48-E50 PolarHBondContact O-N 3.19Å; I48-A51 CarbonylContact O-C 3.5Å; I48-A51 WeakPolarHBondContact O-CB 3.19Å; I48-A51 PolarHBondContact O-N 3.13Å; I48-A51 VanDerWaalsContact O-N 3.09Å; I48-L52 HydrophobicContact CG2-CD1 4.37Å; I48-L52 HydrophobicContact CG2-CG 4.38Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.28Å; I48-I59 HydrophobicContact CD1-CD1 3.58Å; I48-I59 HydrophobicContact CG1-CD1 4.05Å; I48-L194 HydrophobicContact CD1-CB 4.15Å; I48-L194 HydrophobicContact CD1-CD1 4.48Å; I48-L194 HydrophobicContact CG1-CD1 4.14Å; I48-L194 HydrophobicContact CG1-CD2 4.24Å; I48-L194 HydrophobicContact CG2-CD2 4.49Å; I48-I203 HydrophobicContact CD1-CD1 3.93Å; I48-N272 WeakPolarHBondContact CG2-ND2 3.43Å
49	D	86.4	Confident	90.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-63	-35.9	174.6	-73	-25.7	0	0	0	111.4	D45 N46 A47 A51 L52 A53 K103 Y109 S112 G113	D45-D49 VanDerWaalsContact O-CG 3.29Å; D45-D49 PolarHBondContact O-N 3.45Å; N46-D49 PolarHBondContact O-N 2.59Å; A47-D49 VanDerWaalsContact C-N 3.35Å; D49-A51 VanDerWaalsContact C-N 3.34Å; D49-L52 PolarHBondContact O-N 3.34Å; D49-A53 WeakPolarHBondContact O-CB 3.39Å; D49-A53 PolarHBondContact O-N 3.11Å; D49-K103 WeakPolarHBondContact OD2-CE 3.47Å; D49-K103 IonicContact OD2-NZ 3.43Å; D49-K103 PolarHBondContact OD2-NZ 3.35Å; D49-Y109 HydrophobicContact CB-CD1 4.38Å; D49-Y109 HydrophobicContact CB-CE1 4.11Å; D49-S112 WeakPolarHBondContact OD1-CA 3.25Å; D49-G113 PolarHBondContact OD1-N 2.91Å
50	E	89.6	Confident	90.8	Very high	22 Å²	22	32.5 Å²	32.5	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-35.9	170.6	-74.9	-61.8	107.1	0	0	112.5	N46 A47 I48 A53 G54 H55 C56 R76 Y109	N46-E50 PolarHBondContact O-N 3.06Å; A47-E50 WeakPolarHBondContact O-CB 3.29Å; A47-E50 PolarHBondContact O-N 3.4Å; I48-E50 VanDerWaalsContact C-N 3.3Å; I48-E50 PolarHBondContact O-N 3.19Å; E50-A53 PolarHBondContact O-N 3.17Å; E50-G54 PolarHBondContact O-N 3.23Å; E50-H55 PolarHBondContact O-N 3.24Å; E50-C56 HydrophobicContact CB-CB 3.8Å; E50-C56 PolarHBondContact O-N 3.09Å; E50-R76 IonicContact OE1-CZ 2.64Å; E50-R76 IonicContact OE1-NE 2.65Å; E50-R76 IonicContact OE1-NH2 3.78Å; E50-R76 PolarHBondContact OE1-NH2 3.35Å; E50-R76 WeakPolarHBondContact OE2-CB 3.44Å; E50-R76 IonicContact OE2-CZ 2.76Å; E50-R76 PolarHBondContact OE2-N 3.34Å; E50-R76 VanDerWaalsContact OE2-N 3.15Å; E50-R76 IonicContact OE2-NE 2.94Å; E50-R76 PolarHBondContact OE2-NE 3.41Å; E50-R76 IonicContact OE2-NH2 2.58Å; E50-R76 PolarHBondContact OE2-NH2 3.03Å; E50-Y109 PolarHBondContact OE1-OH 3.49Å
51	A	88.3	Confident	91	Very high	14 Å²	14	32.5 Å²	32.5	12%	0.116	18%	0.181	C	C	.	.	H	α-helix	trans	-70.4	-41.5	176.7	0	0	0	0	0	111.7	A47 I48 D49 A53 G54 C56 V201	A47-A51 PolarHBondContact O-N 3.13Å; A47-A51 VanDerWaalsContact O-N 3.11Å; I48-A51 CarbonylContact O-C 3.5Å; I48-A51 WeakPolarHBondContact O-CB 3.19Å; I48-A51 PolarHBondContact O-N 3.13Å; I48-A51 VanDerWaalsContact O-N 3.09Å; D49-A51 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.89Å; A51-G54 WeakPolarHBondContact O-CA 3.4Å; A51-G54 PolarHBondContact O-N 2.84Å; A51-C56 HydrophobicContact CB-CB 3.99Å; A51-V201 HydrophobicContact CB-CG1 4.28Å; A51-V201 HydrophobicContact CB-CG2 3.64Å
52	L	80.9	Confident	91.3	Very high	71 Å²	71	31.5 Å²	31.5	37%	0.372	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-34.5	172.6	-77.4	175.5	0	0	0	112.2	I48 D49 G54 N198	I48-L52 HydrophobicContact CG2-CD1 4.37Å; I48-L52 HydrophobicContact CG2-CG 4.38Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.28Å; D49-L52 PolarHBondContact O-N 3.34Å; L52-G54 PolarHBondContact O-N 3.01Å; L52-N198 WeakPolarHBondContact CD2-OD1 3.47Å; L52-N198 WeakPolarHBondContact CG-OD1 3.43Å
53	A	81.9	Confident	91.6	Very high	37 Å²	37	31 Å²	31	31%	0.306	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.1	173.3	0	0	0	0	0	113.5	D49 E50 A51 H55 Y109	D49-A53 WeakPolarHBondContact O-CB 3.39Å; D49-A53 PolarHBondContact O-N 3.11Å; E50-A53 PolarHBondContact O-N 3.17Å; A51-A53 PolarHBondContact O-N 2.89Å; A53-H55 PolarHBondContact O-CD2 2.84Å; A53-Y109 HydrophobicContact CB-CE1 4.23Å
54	G	86.1	Confident	91.5	Very high	66 Å²	66	31.6 Å²	31.6	68%	0.68	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	16.6	176.9	0	0	0	0	0	114.7	E50 A51 L52	E50-G54 PolarHBondContact O-N 3.23Å; A51-G54 WeakPolarHBondContact O-CA 3.4Å; A51-G54 PolarHBondContact O-N 2.84Å; L52-G54 PolarHBondContact O-N 3.01Å
55	H	91.2	Very high	91	Very high	88 Å²	88	34.3 Å²	34.3	41%	0.407	20%	0.201	S	C	.	.			trans	-106.7	-20.5	-175.3	-65.4	-64.7	0	0	0	114.6	E50 A53 R76	E50-H55 PolarHBondContact O-N 3.24Å; A53-H55 PolarHBondContact O-CD2 2.84Å; H55-R76 HydrophobicContact CB-CG 3.8Å; H55-R76 VanDerWaalsContact CD2-CD 3.43Å; H55-R76 WeakPolarHBondContact CD2-CD 3.48Å; H55-R76 PolarHBondContact CD2-NE 3.37Å; H55-R76 PolarHBondContact CD2-NH1 3.47Å; H55-R76 VanDerWaalsContact CD2-NH1 3.27Å; H55-R76 PolarHBondContact NE2-NH1 3.47Å
56	C	93.4	Very high	90.7	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.047	22%	0.217	C	C	.	.			trans	-111.2	138.6	178.1	170.9	0	0	0	0	110.7	E50 A51 D74	E50-C56 HydrophobicContact CB-CB 3.8Å; E50-C56 PolarHBondContact O-N 3.09Å; A51-C56 HydrophobicContact CB-CB 3.99Å; C56-D74 VanDerWaalsContact CA-OD1 3.3Å; C56-D74 WeakPolarHBondContact CA-OD1 3.48Å; C56-D74 PolarHBondContact SG-OD1 3.1Å
57	K	93.6	Very high	90.6	Very high	160 Å²	160	36.4 Å²	36.4	70%	0.696	21%	0.212	S	C	*	.			trans	-117.7	-31.8	174.7	-61.7	-178.2	-179	178.1	0	112.4	D74 S202	K57-D74 PolarHBondContact N-OD1 2.87Å; K57-D74 PolarHBondContact N-OD2 2.88Å; K57-S202 WeakPolarHBondContact O-CB 3.38Å; K57-S202 PolarHBondContact O-N 2.93Å
58	E	96.2	Very high	90.7	Very high	66 Å²	66	36.3 Å²	36.3	31%	0.308	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.8	-176.5	-170.7	167.1	-144.3	0	0	112.3	I60 D74 S202 R204	E58-I60 HydrophobicContact CG-CG1 4.18Å; E58-D74 PolarHBondContact N-OD1 2.78Å; E58-D74 PolarHBondContact N-OD2 3.14Å; E58-D74 PolarHBondContact O-N 2.72Å; E58-S202 CarbonylContact C-O 3.3Å; E58-S202 WeakPolarHBondContact CA-O 3.46Å; E58-R204 IonicContact OE1-CZ 2.7Å; E58-R204 IonicContact OE1-NE 3.81Å; E58-R204 PolarHBondContact OE1-NE 3.36Å; E58-R204 IonicContact OE1-NH2 3.16Å
59	I	97.6	Very high	91	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.8	174.8	-55.4	173.4	0	0	0	108.4	A47 I48 V61 V71 Q72 V201 S202 I203 R204	A47-I59 HydrophobicContact CB-CD1 3.74Å; A47-I59 HydrophobicContact CB-CG1 4.03Å; A47-I59 HydrophobicContact CB-CG2 4.17Å; I48-I59 HydrophobicContact CD1-CD1 3.58Å; I48-I59 HydrophobicContact CG1-CD1 4.05Å; I59-V61 HydrophobicContact CG2-CG2 4.45Å; I59-V71 HydrophobicContact CG2-CG1 4.12Å; I59-Q72 CarbonylContact C-O 3.58Å; I59-Q72 VanDerWaalsContact CA-O 3.28Å; I59-Q72 WeakPolarHBondContact CA-O 3.27Å; I59-V201 HydrophobicContact CD1-CG1 4.05Å; I59-V201 HydrophobicContact CG1-CG1 4.37Å; I59-S202 PolarHBondContact N-O 2.7Å; I59-I203 HydrophobicContact CB-CG1 4.4Å; I59-I203 HydrophobicContact CB-CG2 4.46Å; I59-I203 CarbonylContact O-C 3.55Å; I59-I203 WeakPolarHBondContact O-CA 3.29Å; I59-R204 PolarHBondContact O-N 3.38Å
60	I	98	Very high	91.6	Very high	26 Å²	26	36.5 Å²	36.5	13%	0.133	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116	179.4	-53.6	174.4	0	0	0	109	E58 V71 Q72 R204	E58-I60 HydrophobicContact CG-CG1 4.18Å; I60-V71 WeakPolarHBondContact O-CA 3.47Å; I60-Q72 HydrophobicContact CB-CB 4.38Å; I60-Q72 PolarHBondContact N-O 3.04Å; I60-Q72 PolarHBondContact O-N 3.35Å; I60-R204 HydrophobicContact CG1-CB 4.49Å; I60-R204 HydrophobicContact CG2-CB 4.47Å
61	V	98.3	Very high	92	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124	172.7	-174.9	0	0	0	0	108.4	V40 V44 I59 V69 S70 V71 L191 R204 L205 R206	V40-V61 HydrophobicContact CG1-CG1 4.12Å; V44-V61 HydrophobicContact CG2-CG2 3.83Å; I59-V61 HydrophobicContact CG2-CG2 4.45Å; V61-V69 HydrophobicContact CG1-CG1 4.11Å; V61-S70 CarbonylContact C-O 3.56Å; V61-S70 WeakPolarHBondContact CA-O 3.4Å; V61-V71 HydrophobicContact CG1-CG2 4.44Å; V61-V71 HydrophobicContact CG2-CG1 4.41Å; V61-V71 HydrophobicContact CG2-CG2 4.3Å; V61-L191 HydrophobicContact CB-CD1 3.99Å; V61-L191 HydrophobicContact CG1-CD1 4.4Å; V61-L191 HydrophobicContact CG2-CD1 3.83Å; V61-L191 HydrophobicContact CG2-CD2 3.93Å; V61-R204 PolarHBondContact N-O 2.91Å; V61-L205 HydrophobicContact CB-CD1 3.91Å; V61-L205 HydrophobicContact CG1-CD1 3.74Å; V61-L205 CarbonylContact O-C 3.59Å; V61-L205 WeakPolarHBondContact O-CA 3.27Å; V61-R206 PolarHBondContact O-N 3.12Å
62	T	97.8	Very high	92.4	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.8	180	-56.9	0	0	0	0	110.4	H64 V69 S70 R206 K208	T62-H64 PolarHBondContact O-CD2 2.77Å; T62-V69 CarbonylContact O-C 3.45Å; T62-V69 VanDerWaalsContact O-CA 3.3Å; T62-V69 WeakPolarHBondContact O-CA 2.95Å; T62-S70 PolarHBondContact N-O 3.47Å; T62-S70 PolarHBondContact O-N 2.77Å; T62-R206 CarbonylContact C-O 3.56Å; T62-R206 WeakPolarHBondContact CA-O 3.43Å; T62-R206 HydrophobicContact CG2-CB 4.29Å; T62-K208 HydrophobicContact CG2-CD 3.76Å; T62-K208 HydrophobicContact CG2-CG 3.91Å
63	I	96.2	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.4	162.7	-48.9	174	0	0	0	107	V69 F182 Y184 L187 R206 K208	I63-V69 HydrophobicContact CG1-CG2 4.21Å; I63-V69 HydrophobicContact CG2-CG2 4.49Å; I63-F182 HydrophobicContact CD1-CB 4.21Å; I63-F182 HydrophobicContact CG2-CB 4.43Å; I63-Y184 HydrophobicContact CD1-CD2 4.27Å; I63-L187 HydrophobicContact CD1-CD1 3.94Å; I63-L187 HydrophobicContact CG1-CD1 4.1Å; I63-R206 PolarHBondContact N-O 3.34Å; I63-K208 WeakPolarHBondContact O-CB 3.18Å; I63-K208 PolarHBondContact O-N 3.05Å
64	H	92.5	Very high	93.9	Very high	20 Å²	20	36.7 Å²	36.7	9%	0.093	21%	0.206	C	C	.	.			trans	-87.9	162.8	-176	-67.5	-91.1	0	0	0	111.5	T62 D66 N67 S68 S70 R209	T62-H64 PolarHBondContact O-CD2 2.77Å; H64-D66 WeakPolarHBondContact CB-OD1 3.38Å; H64-D66 PolarHBondContact O-N 2.86Å; H64-N67 WeakPolarHBondContact O-CA 3.24Å; H64-N67 PolarHBondContact O-N 2.86Å; H64-S68 WeakPolarHBondContact CB-OG 3.45Å; H64-S68 PolarHBondContact N-O 3.41Å; H64-S70 WeakPolarHBondContact NE2-CB 3.21Å; H64-S70 PolarHBondContact NE2-OG 2.77Å; H64-R209 WeakPolarHBondContact O-CG 3.26Å
65	A	83.2	Confident	94.3	Very high	58 Å²	58	33.6 Å²	33.6	48%	0.479	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.2	178.7	0	0	0	0	0	113.5	N67	A65-N67 PolarHBondContact O-N 2.88Å
66	D	82.8	Confident	94.5	Very high	78 Å²	78	33.4 Å²	33.4	42%	0.417	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	9.7	173.2	69.2	-5.5	0	0	0	113.4	H64 S68 R168 W170	H64-D66 WeakPolarHBondContact CB-OD1 3.38Å; H64-D66 PolarHBondContact O-N 2.86Å; D66-S68 PolarHBondContact O-N 2.77Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 2.64Å; D66-S68 PolarHBondContact OD1-OG 2.77Å; D66-S68 PolarHBondContact OD2-OG 3Å; D66-R168 IonicContact OD1-NH2 2.91Å; D66-R168 PolarHBondContact OD1-NH2 2.67Å; D66-R168 IonicContact OD2-NH2 3.05Å; D66-R168 PolarHBondContact OD2-NH2 3.26Å; D66-W170 PolarHBondContact OD2-NE1 2.66Å
67	N	85.1	Confident	94.5	Very high	32 Å²	32	33.4 Å²	33.4	17%	0.171	17%	0.17	C	C	.	.	S	Bend	trans	63.3	16.8	-179.7	-167.6	61.7	0	0	0	114.3	H64 A65 T180 F182 R209	H64-N67 WeakPolarHBondContact O-CA 3.24Å; H64-N67 PolarHBondContact O-N 2.86Å; A65-N67 PolarHBondContact O-N 2.88Å; N67-T180 PolarHBondContact ND2-O 3.43Å; N67-F182 WeakPolarHBondContact O-CD2 3.3Å; N67-F182 VanDerWaalsContact O-CE2 3.26Å; N67-F182 WeakPolarHBondContact O-CE2 3.44Å; N67-F182 PolarHBondContact OD1-N 3.13Å; N67-R209 PolarHBondContact OD1-NH1 3.01Å; N67-R209 VanDerWaalsContact OD1-NH1 3.09Å
68	S	94.6	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.			trans	-76.4	161.4	161.5	64	0	0	0	0	111.5	H64 D66 R168 F169	H64-S68 WeakPolarHBondContact CB-OG 3.45Å; H64-S68 PolarHBondContact N-O 3.41Å; D66-S68 PolarHBondContact O-N 2.77Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 2.64Å; D66-S68 PolarHBondContact OD1-OG 2.77Å; D66-S68 PolarHBondContact OD2-OG 3Å; S68-R168 PolarHBondContact OG-NE 3.4Å; S68-R168 PolarHBondContact OG-NH2 2.94Å; S68-R168 VanDerWaalsContact OG-NH2 3.1Å; S68-F169 WeakPolarHBondContact CA-O 3.36Å; S68-F169 VanDerWaalsContact CB-O 3.25Å; S68-F169 WeakPolarHBondContact CB-O 3.19Å
69	V	97.4	Very high	94.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.8	173.7	173.1	0	0	0	0	109.7	V40 V61 T62 I63 R168 F169 F182	V40-V69 HydrophobicContact CG1-CG1 4.01Å; V40-V69 HydrophobicContact CG2-CB 4.36Å; V40-V69 HydrophobicContact CG2-CG1 4.02Å; V40-V69 HydrophobicContact CG2-CG2 4.29Å; V61-V69 HydrophobicContact CG1-CG1 4.11Å; T62-V69 CarbonylContact O-C 3.45Å; T62-V69 VanDerWaalsContact O-CA 3.3Å; T62-V69 WeakPolarHBondContact O-CA 2.95Å; I63-V69 HydrophobicContact CG1-CG2 4.21Å; I63-V69 HydrophobicContact CG2-CG2 4.49Å; V69-R168 CarbonylContact O-C 3.53Å; V69-R168 VanDerWaalsContact O-CA 3.32Å; V69-R168 WeakPolarHBondContact O-CA 3.4Å; V69-F169 HydrophobicContact CB-CE1 4.02Å; V69-F169 HydrophobicContact CB-CZ 4.05Å; V69-F169 HydrophobicContact CG1-CE1 4.14Å; V69-F169 HydrophobicContact CG1-CZ 4.4Å; V69-F169 PolarHBondContact N-O 3.4Å; V69-F169 VanDerWaalsContact N-O 3.1Å; V69-F169 WeakPolarHBondContact O-CD1 3.48Å; V69-F169 PolarHBondContact O-N 2.99Å; V69-F182 HydrophobicContact CB-CE2 4.25Å; V69-F182 HydrophobicContact CB-CZ 4.28Å; V69-F182 HydrophobicContact CG2-CB 4.46Å; V69-F182 HydrophobicContact CG2-CD1 4.02Å; V69-F182 HydrophobicContact CG2-CD2 3.41Å; V69-F182 VanDerWaalsContact CG2-CD2 3.41Å; V69-F182 HydrophobicContact CG2-CE1 4.02Å; V69-F182 HydrophobicContact CG2-CE2 3.4Å; V69-F182 VanDerWaalsContact CG2-CE2 3.4Å; V69-F182 HydrophobicContact CG2-CG 3.7Å; V69-F182 HydrophobicContact CG2-CZ 3.7Å
70	S	98	Very high	94.2	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.2	166.4	65.4	0	0	0	0	111.7	V61 T62 H64 V167	V61-S70 CarbonylContact C-O 3.56Å; V61-S70 WeakPolarHBondContact CA-O 3.4Å; T62-S70 PolarHBondContact N-O 3.47Å; T62-S70 PolarHBondContact O-N 2.77Å; H64-S70 WeakPolarHBondContact NE2-CB 3.21Å; H64-S70 PolarHBondContact NE2-OG 2.77Å; S70-V167 CarbonylContact C-O 3.52Å; S70-V167 VanDerWaalsContact CA-O 3.25Å; S70-V167 WeakPolarHBondContact CA-O 3.39Å
71	V	98.3	Very high	94	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.1	168.4	-177.2	0	0	0	0	107.4	V40 V43 V44 I59 I60 V61 M166 V167	V40-V71 HydrophobicContact CG1-CG2 4.34Å; V43-V71 HydrophobicContact CB-CB 4.33Å; V43-V71 HydrophobicContact CB-CG2 4.02Å; V43-V71 HydrophobicContact CG1-CB 3.61Å; V43-V71 HydrophobicContact CG1-CG1 4.11Å; V43-V71 HydrophobicContact CG1-CG2 3.83Å; V44-V71 HydrophobicContact CG2-CG1 3.95Å; V44-V71 HydrophobicContact CG2-CG2 3.85Å; I59-V71 HydrophobicContact CG2-CG1 4.12Å; I60-V71 WeakPolarHBondContact O-CA 3.47Å; V61-V71 HydrophobicContact CG1-CG2 4.44Å; V61-V71 HydrophobicContact CG2-CG1 4.41Å; V61-V71 HydrophobicContact CG2-CG2 4.3Å; V71-M166 WeakPolarHBondContact O-CA 3.37Å; V71-V167 PolarHBondContact N-O 3.28Å; V71-V167 PolarHBondContact O-N 3.44Å
72	Q	97.9	Very high	93.8	Very high	73 Å²	73	34.7 Å²	34.7	34%	0.341	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133	178	-178.7	178.4	2	0	0	109.7	I59 I60 T165 M166	I59-Q72 CarbonylContact C-O 3.58Å; I59-Q72 VanDerWaalsContact CA-O 3.28Å; I59-Q72 WeakPolarHBondContact CA-O 3.27Å; I60-Q72 HydrophobicContact CB-CB 4.38Å; I60-Q72 PolarHBondContact N-O 3.04Å; I60-Q72 PolarHBondContact O-N 3.35Å; Q72-T165 CarbonylContact C-O 3.57Å; Q72-T165 VanDerWaalsContact CA-O 3.3Å; Q72-T165 WeakPolarHBondContact CA-O 3.33Å; Q72-M166 HydrophobicContact CB-CB 4.25Å; Q72-M166 HydrophobicContact CB-CG 4.13Å; Q72-M166 HydrophobicContact CG-CB 4.24Å
73	D	97.5	Very high	93.5	Very high	20 Å²	20	37 Å²	37	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.2	171.3	69.9	82.5	0	0	0	111.3	A47 G75 G164 T165	A47-D73 HydrophobicContact CB-CB 3.74Å; D73-G75 WeakPolarHBondContact OD1-CA 3.32Å; D73-G75 PolarHBondContact OD1-N 3.1Å; D73-G164 WeakPolarHBondContact O-CA 3.32Å; D73-T165 PolarHBondContact N-O 3.28Å; D73-T165 PolarHBondContact O-N 3.24Å; D73-T165 PolarHBondContact OD1-N 2.95Å; D73-T165 WeakPolarHBondContact OD2-CB 3.37Å
74	D	96.7	Very high	93.1	Very high	54 Å²	54	43 Å²	43	29%	0.289	25%	0.25	S	C	.	.			trans	-99.2	23	172.9	70.9	-22.8	0	0	0	113.2	C56 K57 E58	C56-D74 VanDerWaalsContact CA-OD1 3.3Å; C56-D74 WeakPolarHBondContact CA-OD1 3.48Å; C56-D74 PolarHBondContact SG-OD1 3.1Å; K57-D74 PolarHBondContact N-OD1 2.87Å; K57-D74 PolarHBondContact N-OD2 2.88Å; E58-D74 PolarHBondContact N-OD1 2.78Å; E58-D74 PolarHBondContact N-OD2 3.14Å; E58-D74 PolarHBondContact O-N 2.72Å
75	G	95	Very high	92.9	Very high	1 Å²	1	50 Å²	50	1%	0.01	28%	0.283	C	S	.	.	S	Bend	trans	-70.6	-158.3	-179.6	0	0	0	0	0	114	D73 G77 T163 G164	D73-G75 WeakPolarHBondContact OD1-CA 3.32Å; D73-G75 PolarHBondContact OD1-N 3.1Å; G75-G77 PolarHBondContact O-N 3.01Å; G75-T163 CarbonylContact O-C 3.56Å; G75-T163 VanDerWaalsContact O-CB 3.22Å; G75-T163 WeakPolarHBondContact O-CB 3.32Å; G75-T163 PolarHBondContact O-OG1 2.95Å; G75-G164 WeakPolarHBondContact O-CA 3.45Å; G75-G164 PolarHBondContact O-N 3.24Å
76	R	94.3	Very high	93.2	Very high	83 Å²	83	52.2 Å²	52.2	31%	0.313	28%	0.283	S	S	.	.	S	Bend	trans	-71.4	-17	-177.8	-68.9	170.4	-69.7	-170.8	7.5	114.3	E50 H55 Y109 R136	E50-R76 IonicContact OE1-CZ 2.64Å; E50-R76 IonicContact OE1-NE 2.65Å; E50-R76 IonicContact OE1-NH2 3.78Å; E50-R76 PolarHBondContact OE1-NH2 3.35Å; E50-R76 WeakPolarHBondContact OE2-CB 3.44Å; E50-R76 IonicContact OE2-CZ 2.76Å; E50-R76 PolarHBondContact OE2-N 3.34Å; E50-R76 VanDerWaalsContact OE2-N 3.15Å; E50-R76 IonicContact OE2-NE 2.94Å; E50-R76 PolarHBondContact OE2-NE 3.41Å; E50-R76 IonicContact OE2-NH2 2.58Å; E50-R76 PolarHBondContact OE2-NH2 3.03Å; H55-R76 HydrophobicContact CB-CG 3.8Å; H55-R76 VanDerWaalsContact CD2-CD 3.43Å; H55-R76 WeakPolarHBondContact CD2-CD 3.48Å; H55-R76 PolarHBondContact CD2-NE 3.37Å; H55-R76 PolarHBondContact CD2-NH1 3.47Å; H55-R76 VanDerWaalsContact CD2-NH1 3.27Å; H55-R76 PolarHBondContact NE2-NH1 3.47Å; R76-Y109 PolarHBondContact NH2-OH 2.88Å; R76-R136 PolarHBondContact O-NH1 3.15Å
77	G	93.8	Very high	93.7	Very high	7 Å²	7	51.1 Å²	51.1	7%	0.072	29%	0.29	C	S	.	.			trans	77	143.5	-169.4	0	0	0	0	0	113.4	G75 R136 T165	G75-G77 PolarHBondContact O-N 3.01Å; G77-R136 PolarHBondContact O-NH1 3.01Å; G77-T165 WeakPolarHBondContact CA-OG1 3.43Å
78	I	93.5	Very high	94	Very high	33 Å²	33	51.8 Å²	51.8	17%	0.169	30%	0.295	C	S	.	.			trans	-58.2	138.2	177.7	-62.9	177.8	0	0	0	110.5	T80 A91 I94 L132 I134 T165	I78-T80 PolarHBondContact O-N 3.38Å; I78-A91 HydrophobicContact CG2-CB 3.85Å; I78-I94 HydrophobicContact CG2-CD1 3.78Å; I78-L132 HydrophobicContact CD1-CD1 4.19Å; I78-I134 HydrophobicContact CB-CD1 3.84Å; I78-I134 HydrophobicContact CB-CG1 4.24Å; I78-I134 HydrophobicContact CG2-CD1 4.32Å; I78-I134 WeakPolarHBondContact O-CG2 3.5Å; I78-T165 HydrophobicContact CD1-CG2 3.93Å; I78-T165 HydrophobicContact CG1-CG2 4.12Å; I78-T165 PolarHBondContact N-OG1 3.19Å; I78-T165 VanDerWaalsContact N-OG1 3.13Å
79	P	93.8	Very high	94.1	Very high	62 Å²	62	52.1 Å²	52.1	40%	0.403	30%	0.298	S	S	.	.			trans	-56.5	130	176.7	-26.2	35.4	0	0	0	112.8	A90 A91	P79-A90 HydrophobicContact CB-CB 4.1Å; P79-A91 PolarHBondContact O-N 3.09Å; P79-A91 VanDerWaalsContact O-N 3.13Å
80	T	94.5	Very high	93.9	Very high	21 Å²	21	53 Å²	53	13%	0.129	31%	0.305	C	S	.	.			trans	-101.2	-10.9	-175	57.9	0	0	0	0	113.8	I78 I134 H141 L154	I78-T80 PolarHBondContact O-N 3.38Å; T80-I134 HydrophobicContact CG2-CB 4.32Å; T80-I134 HydrophobicContact CG2-CD1 4.13Å; T80-I134 HydrophobicContact CG2-CG2 3.84Å; T80-H141 HydrophobicContact CG2-CB 4.34Å; T80-L154 HydrophobicContact CG2-CD2 3.91Å
81	G	92.8	Very high	93.7	Very high	47 Å²	47	52.6 Å²	52.6	49%	0.485	30%	0.302	S	S	.	.	S	Bend	trans	-64.6	160.5	177.9	0	0	0	0	0	113.2	H83 S89 A90	G81-H83 PolarHBondContact O-N 3.5Å; G81-S89 CarbonylContact O-C 3.58Å; G81-S89 WeakPolarHBondContact O-CA 3.38Å; G81-A90 PolarHBondContact O-N 2.67Å
82	I	94.5	Very high	93.5	Very high	117 Å²	117	54 Å²	54	60%	0.6	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-70.4	127.9	177.2	-57.4	-58.5	0	0	0	110	V88	I82-V88 CarbonylContact C-O 3.51Å; I82-V88 WeakPolarHBondContact CA-O 3.37Å
83	H	91	Very high	93.3	Very high	61 Å²	61	51 Å²	51	28%	0.282	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-70.6	123	174	-170.6	-97.5	0	0	0	109.6	G81 E85 E86 G87 V88 V93	G81-H83 PolarHBondContact O-N 3.5Å; H83-E85 VanDerWaalsContact C-N 3.27Å; H83-E85 PolarHBondContact O-N 3.17Å; H83-E86 HydrophobicContact CB-CB 4.23Å; H83-E86 WeakPolarHBondContact ND1-CG 3.3Å; H83-E86 PolarHBondContact ND1-N 3.22Å; H83-E86 PolarHBondContact O-N 2.82Å; H83-G87 PolarHBondContact O-N 2.78Å; H83-V88 PolarHBondContact N-O 2.94Å; H83-V93 HydrophobicContact CB-CG2 3.8Å
84	P	87.9	Confident	93	Very high	125 Å²	125	52 Å²	52	81%	0.812	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-35	-171.3	-27.1	34.5	0	0	0	114.8
85	E	89.3	Confident	92.9	Very high	168 Å²	168	49.4 Å²	49.4	79%	0.785	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-29.8	-175.3	-59.3	-176.8	167.6	0	0	113.3	H83	H83-E85 VanDerWaalsContact C-N 3.27Å; H83-E85 PolarHBondContact O-N 3.17Å
86	E	89.6	Confident	92.8	Very high	103 Å²	103	50.9 Å²	50.9	48%	0.481	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-18.1	-174	-64.6	-64.8	143.4	0	0	112.3	H83 V88 V93	H83-E86 HydrophobicContact CB-CB 4.23Å; H83-E86 WeakPolarHBondContact ND1-CG 3.3Å; H83-E86 PolarHBondContact ND1-N 3.22Å; H83-E86 PolarHBondContact O-N 2.82Å; E86-V88 HydrophobicContact CB-CG2 4.17Å; E86-V88 PolarHBondContact O-N 3.15Å; E86-V88 VanDerWaalsContact O-N 3.15Å; E86-V93 HydrophobicContact CB-CG2 3.69Å; E86-V93 HydrophobicContact CG-CG1 4.25Å; E86-V93 HydrophobicContact CG-CG2 3.82Å
87	G	91.9	Very high	92.5	Very high	55 Å²	55	49.3 Å²	49.3	57%	0.567	30%	0.295	S	S	*	.	S	Bend	trans	71.3	3.4	177.3	0	0	0	0	0	115.4	H83	H83-G87 PolarHBondContact O-N 2.78Å
88	V	92.9	Very high	92.1	Very high	47 Å²	47	50.4 Å²	50.4	29%	0.285	30%	0.299	S	S	.	.	S	Bend	trans	-116.3	171.8	174.8	-61.6	0	0	0	0	110.8	I82 H83 E86 E92 V93	I82-V88 CarbonylContact C-O 3.51Å; I82-V88 WeakPolarHBondContact CA-O 3.37Å; H83-V88 PolarHBondContact N-O 2.94Å; E86-V88 HydrophobicContact CB-CG2 4.17Å; E86-V88 PolarHBondContact O-N 3.15Å; E86-V88 VanDerWaalsContact O-N 3.15Å; V88-E92 HydrophobicContact CB-CB 4.37Å; V88-E92 HydrophobicContact CB-CG 4.41Å; V88-E92 HydrophobicContact CG2-CB 4.15Å; V88-E92 HydrophobicContact CG2-CG 4.19Å; V88-V93 HydrophobicContact CG2-CG2 3.73Å
89	S	94.9	Very high	91.5	Very high	7 Å²	7	54.2 Å²	54.2	5%	0.049	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-59.7	144	178.2	73.9	0	0	0	0	111.5	G81 A91 E92 V93	G81-S89 CarbonylContact O-C 3.58Å; G81-S89 WeakPolarHBondContact O-CA 3.38Å; S89-A91 PolarHBondContact O-N 3.04Å; S89-E92 WeakPolarHBondContact O-CA 3.34Å; S89-E92 WeakPolarHBondContact O-CB 3.4Å; S89-E92 PolarHBondContact O-N 3.21Å; S89-E92 WeakPolarHBondContact OG-CB 3.37Å; S89-E92 PolarHBondContact OG-N 3.07Å; S89-E92 VanDerWaalsContact OG-N 3.1Å; S89-V93 PolarHBondContact O-N 3.17Å
90	A	93.5	Very high	90.5	Very high	19 Å²	19	52.1 Å²	52.1	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-31.1	176.4	0	0	0	0	0	112.1	P79 G81 V93 I94	P79-A90 HydrophobicContact CB-CB 4.1Å; G81-A90 PolarHBondContact O-N 2.67Å; A90-V93 PolarHBondContact O-N 3.08Å; A90-I94 WeakPolarHBondContact O-CG1 3.48Å; A90-I94 PolarHBondContact O-N 3.48Å
91	A	94	Very high	89.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.2	-47.4	169.5	0	0	0	0	0	112.2	I78 P79 S89 V93 I94 M95 L132 I134 L154	I78-A91 HydrophobicContact CG2-CB 3.85Å; P79-A91 PolarHBondContact O-N 3.09Å; P79-A91 VanDerWaalsContact O-N 3.13Å; S89-A91 PolarHBondContact O-N 3.04Å; A91-V93 PolarHBondContact O-N 3.16Å; A91-I94 PolarHBondContact O-N 2.8Å; A91-M95 WeakPolarHBondContact O-CB 3.22Å; A91-M95 WeakPolarHBondContact O-CG 3.17Å; A91-M95 PolarHBondContact O-N 3.16Å; A91-L132 HydrophobicContact CB-CD2 4.08Å; A91-I134 HydrophobicContact CB-CD1 3.64Å; A91-L154 HydrophobicContact CB-CD2 4.17Å
92	E	95.1	Very high	88	Confident	30 Å²	30	52.7 Å²	52.7	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-40.2	176.4	-171.9	172.5	141.6	0	0	112.4	V88 S89 M95 T96 Q143 Y145 P150	V88-E92 HydrophobicContact CB-CB 4.37Å; V88-E92 HydrophobicContact CB-CG 4.41Å; V88-E92 HydrophobicContact CG2-CB 4.15Å; V88-E92 HydrophobicContact CG2-CG 4.19Å; S89-E92 WeakPolarHBondContact O-CA 3.34Å; S89-E92 WeakPolarHBondContact O-CB 3.4Å; S89-E92 PolarHBondContact O-N 3.21Å; S89-E92 WeakPolarHBondContact OG-CB 3.37Å; S89-E92 PolarHBondContact OG-N 3.07Å; S89-E92 VanDerWaalsContact OG-N 3.1Å; E92-M95 PolarHBondContact O-N 3.47Å; E92-T96 HydrophobicContact CG-CG2 4.26Å; E92-T96 WeakPolarHBondContact O-CB 3.38Å; E92-T96 WeakPolarHBondContact O-CG2 3.47Å; E92-T96 PolarHBondContact O-N 3.44Å; E92-T96 PolarHBondContact O-OG1 3.33Å; E92-Q143 PolarHBondContact OE2-NE2 3.13Å; E92-Y145 WeakPolarHBondContact CA-OH 3.48Å; E92-P150 HydrophobicContact CG-CB 4.49Å; E92-P150 HydrophobicContact CG-CG 4.21Å
93	V	93	Very high	86.4	Confident	11 Å²	11	49.2 Å²	49.2	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-50.3	174.8	179.7	0	0	0	0	110.7	H83 E86 V88 S89 A90 A91 M95 T96 V97 A100	H83-V93 HydrophobicContact CB-CG2 3.8Å; E86-V93 HydrophobicContact CB-CG2 3.69Å; E86-V93 HydrophobicContact CG-CG1 4.25Å; E86-V93 HydrophobicContact CG-CG2 3.82Å; V88-V93 HydrophobicContact CG2-CG2 3.73Å; S89-V93 PolarHBondContact O-N 3.17Å; A90-V93 PolarHBondContact O-N 3.08Å; A91-V93 PolarHBondContact O-N 3.16Å; V93-M95 PolarHBondContact O-N 3.11Å; V93-T96 PolarHBondContact O-N 3.46Å; V93-V97 HydrophobicContact CG1-CB 4.14Å; V93-V97 HydrophobicContact CG1-CG2 4.03Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.41Å; V93-V97 PolarHBondContact O-N 3.11Å; V93-A100 HydrophobicContact CG1-CB 3.84Å
94	I	91.6	Very high	84.8	Confident	41 Å²	41	52.2 Å²	52.2	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-35.2	-179.9	-72.2	164.3	0	0	0	111.9	I78 A90 A91 V120	I78-I94 HydrophobicContact CG2-CD1 3.78Å; A90-I94 WeakPolarHBondContact O-CG1 3.48Å; A90-I94 PolarHBondContact O-N 3.48Å; A91-I94 PolarHBondContact O-N 2.8Å; I94-V120 HydrophobicContact CG2-CG1 3.61Å
95	M	93.4	Very high	83.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-81.6	-21	-178.2	-67.4	-57.1	-67	0	0	114.1	A91 E92 V93 V120 S121 N124 L130 L132 Y145	A91-M95 WeakPolarHBondContact O-CB 3.22Å; A91-M95 WeakPolarHBondContact O-CG 3.17Å; A91-M95 PolarHBondContact O-N 3.16Å; E92-M95 PolarHBondContact O-N 3.47Å; V93-M95 PolarHBondContact O-N 3.11Å; M95-V120 HydrophobicContact CE-CG2 4.04Å; M95-V120 HydrophobicContact SD-CB 4.41Å; M95-V120 HydrophobicContact SD-CG1 4.01Å; M95-V120 HydrophobicContact SD-CG2 3.55Å; M95-V120 VanDerWaalsContact SD-CG2 3.55Å; M95-S121 WeakPolarHBondContact O-CA 3.29Å; M95-N124 HydrophobicContact CE-CB 4.02Å; M95-N124 WeakPolarHBondContact O-CB 3.36Å; M95-N124 PolarHBondContact O-ND2 3.21Å; M95-L130 HydrophobicContact CE-CD1 3.47Å; M95-L130 VanDerWaalsContact CE-CD1 3.47Å; M95-L130 HydrophobicContact CE-CD2 3.23Å; M95-L130 HydrophobicContact CE-CG 4.01Å; M95-L132 HydrophobicContact CG-CD2 3.93Å; M95-Y145 HydrophobicContact CB-CE1 3.88Å; M95-Y145 HydrophobicContact CB-CE2 4.27Å; M95-Y145 WeakPolarHBondContact CB-OH 3.48Å; M95-Y145 HydrophobicContact CG-CE2 4.23Å
96	T	92.7	Very high	81.5	Confident	31 Å²	31	50 Å²	50	19%	0.19	29%	0.293	C	S	.	.	H	α-helix	trans	-121.2	-23.3	-169.8	62.7	0	0	0	0	114.4	L16 E92 V93 Y145	L16-T96 WeakPolarHBondContact CG-O 3.15Å; E92-T96 HydrophobicContact CG-CG2 4.26Å; E92-T96 WeakPolarHBondContact O-CB 3.38Å; E92-T96 WeakPolarHBondContact O-CG2 3.47Å; E92-T96 PolarHBondContact O-N 3.44Å; E92-T96 PolarHBondContact O-OG1 3.33Å; V93-T96 PolarHBondContact O-N 3.46Å; T96-Y145 HydrophobicContact CG2-CD1 4.22Å; T96-Y145 HydrophobicContact CG2-CE1 3.69Å
97	V	89	Confident	79.8	Confident	50 Å²	50	51.8 Å²	51.8	30%	0.303	31%	0.306	S	S	.	.	S	Bend	trans	-102	123.7	-177	-176.4	0	0	0	0	109.6	V93 A100 S121	V93-V97 HydrophobicContact CG1-CB 4.14Å; V93-V97 HydrophobicContact CG1-CG2 4.03Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.41Å; V93-V97 PolarHBondContact O-N 3.11Å; V97-A100 HydrophobicContact CB-CB 4Å; V97-A100 HydrophobicContact CG1-CB 4.23Å; V97-S121 PolarHBondContact O-OG 2.8Å
98	L	85.8	Confident	77.9	Confident	30 Å²	30	51.9 Å²	51.9	16%	0.157	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	142.2	169.7	-64.3	-179.7	0	0	0	109.3	L16 V19 Y26 A100 V118 V122	L16-L98 HydrophobicContact CD2-CD2 3.83Å; L16-L98 HydrophobicContact CD2-CG 4.04Å; V19-L98 HydrophobicContact CG2-CD1 3.89Å; V19-L98 HydrophobicContact CG2-CD2 3.97Å; V19-L98 HydrophobicContact CG2-CG 4.45Å; Y26-L98 HydrophobicContact CE1-CD1 4.5Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.46Å; L98-V118 HydrophobicContact CD2-CG1 4.23Å; L98-V122 HydrophobicContact CD2-CG2 4.15Å
99	H	80.7	Confident	76.1	Confident	114 Å²	114	52.2 Å²	52.2	53%	0.528	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	26.5	-177.4	-46	-67.8	0	0	0	114.2	F104 H116 G117 V118	H99-F104 HydrophobicContact CB-CZ 4.32Å; H99-F104 WeakPolarHBondContact O-CE2 3.41Å; H99-F104 WeakPolarHBondContact O-CZ 3.42Å; H99-H116 VanDerWaalsContact CA-O 3.32Å; H99-H116 WeakPolarHBondContact CA-O 3.47Å; H99-H116 PolarHBondContact ND1-O 2.86Å; H99-G117 VanDerWaalsContact CA-O 3.32Å; H99-G117 WeakPolarHBondContact CA-O 3.48Å; H99-G117 PolarHBondContact N-O 3.29Å; H99-V118 WeakPolarHBondContact CE1-CG2 3.46Å; H99-V118 WeakPolarHBondContact ND1-CG2 3.41Å
100	A	72.9	Confident	74.2	Confident	18 Å²	18	60.1 Å²	60.1	15%	0.149	33%	0.328	C	S	.	.			trans	-97.9	132.8	167.9	0	0	0	0	0	110.2	V93 V97 L98 G117	V93-A100 HydrophobicContact CG1-CB 3.84Å; V97-A100 HydrophobicContact CB-CB 4Å; V97-A100 HydrophobicContact CG1-CB 4.23Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.46Å; A100-G117 PolarHBondContact N-O 2.97Å; A100-G117 WeakPolarHBondContact O-CA 3.45Å
101	G	69.9	Low	72.5	Confident	32 Å²	32	61.3 Å²	61.3	33%	0.33	33%	0.333	S	S	.	.	S	Bend	trans	171.6	156.7	175.9	0	0	0	0	0	112.1	K103 F104	G101-K103 PolarHBondContact O-N 2.85Å; G101-K103 VanDerWaalsContact O-N 3.11Å; G101-F104 VanDerWaalsContact O-CD2 3.29Å; G101-F104 WeakPolarHBondContact O-CD2 3.48Å
102	G	64.3	Low	70.8	Confident	47 Å²	47	61.7 Å²	61.7	49%	0.485	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-68.9	-5.6	178.3	0	0	0	0	0	114.5	F104 S108	G102-F104 VanDerWaalsContact C-N 3.35Å; G102-F104 PolarHBondContact O-N 3.41Å; G102-S108 PolarHBondContact O-OG 3.4Å
103	K	61.9	Low	69	Low	45 Å²	45	60.4 Å²	60.4	20%	0.196	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-83.9	-2.6	-164.9	-55.4	179	-177	-177.5	0	114.7	D49 G101 Y109 G114	D49-K103 WeakPolarHBondContact OD2-CE 3.47Å; D49-K103 IonicContact OD2-NZ 3.43Å; D49-K103 PolarHBondContact OD2-NZ 3.35Å; G101-K103 PolarHBondContact O-N 2.85Å; G101-K103 VanDerWaalsContact O-N 3.11Å; K103-Y109 HydrophobicContact CG-CD2 3.96Å; K103-Y109 HydrophobicContact CG-CG 4.47Å; K103-G114 WeakPolarHBondContact CD-O 3.24Å; K103-G114 PolarHBondContact NZ-O 2.95Å
104	F	57.6	Low	67.3	Low	124 Å²	124	60.3 Å²	60.3	54%	0.544	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-86.9	-7.8	179.2	-58.8	-72.2	0	0	0	113.6	H99 G101 G102	H99-F104 HydrophobicContact CB-CZ 4.32Å; H99-F104 WeakPolarHBondContact O-CE2 3.41Å; H99-F104 WeakPolarHBondContact O-CZ 3.42Å; G101-F104 VanDerWaalsContact O-CD2 3.29Å; G101-F104 WeakPolarHBondContact O-CD2 3.48Å; G102-F104 VanDerWaalsContact C-N 3.35Å; G102-F104 PolarHBondContact O-N 3.41Å
105	D	54.9	Low	65.6	Low	102 Å²	102	59.8 Å²	59.8	55%	0.545	33%	0.329	S	S	.	.	S	Bend	trans	-110.7	124.8	173	-167.9	3.6	0	0	0	108.8	N107 S108	D105-N107 PolarHBondContact O-N 3.03Å; D105-S108 PolarHBondContact O-N 3.29Å
106	D	51.9	Low	64	Low	143 Å²	143	63.9 Å²	63.9	77%	0.765	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-11.3	-171.5	-76.4	-26.6	0	0	0	114
107	N	53.7	Low	62.5	Low	142 Å²	142	63.1 Å²	63.1	76%	0.759	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-28.3	-173.5	-71.7	-44.7	0	0	0	114.9	D105	D105-N107 PolarHBondContact O-N 3.03Å
108	S	51.2	Low	61.9	Low	56 Å²	56	61.5 Å²	61.5	39%	0.392	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-38.2	-168.1	69.4	0	0	0	0	113.2	G102 D105	G102-S108 PolarHBondContact O-OG 3.4Å; D105-S108 PolarHBondContact O-N 3.29Å
109	Y	55.9	Low	61.7	Low	54 Å²	54	60.7 Å²	60.7	21%	0.212	34%	0.335	C	S	.	.			trans	-142.6	103	177.4	-62.1	-88.5	0	0	0	110.2	D49 E50 A53 R76 K103 V111	D49-Y109 HydrophobicContact CB-CD1 4.38Å; D49-Y109 HydrophobicContact CB-CE1 4.11Å; E50-Y109 PolarHBondContact OE1-OH 3.49Å; A53-Y109 HydrophobicContact CB-CE1 4.23Å; R76-Y109 PolarHBondContact NH2-OH 2.88Å; K103-Y109 HydrophobicContact CG-CD2 3.96Å; K103-Y109 HydrophobicContact CG-CG 4.47Å; Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.38Å
110	K	54.8	Low	62.2	Low	174 Å²	174	55.8 Å²	55.8	76%	0.757	31%	0.313	S	S	*	.	S	Bend	trans	-68.8	-27.6	178.1	-71.3	-172.6	176.9	-175.9	0	113.7
111	V	58.4	Low	63.1	Low	43 Å²	43	55 Å²	55	26%	0.261	31%	0.307	S	S	.	.	S	Bend	trans	-145	126.3	179.3	-176.7	0	0	0	0	107.5	Y109 N271 K326	Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.38Å; V111-N271 HydrophobicContact CG1-CB 4.11Å; V111-N271 VanDerWaalsContact CG1-CG 3.4Å; V111-N271 WeakPolarHBondContact CG1-OD1 3.49Å; V111-K326 HydrophobicContact CG1-CB 3.99Å; V111-K326 HydrophobicContact CG1-CD 4.03Å; V111-K326 HydrophobicContact CG2-CB 4.26Å
112	S	58.7	Low	64.2	Low	9 Å²	9	53.6 Å²	53.6	6%	0.063	29%	0.292	C	S	.	.			trans	-144.4	156.8	177.8	67.3	0	0	0	0	111.6	D49 G114 N271	D49-S112 WeakPolarHBondContact OD1-CA 3.25Å; S112-G114 PolarHBondContact OG-O 3.49Å; S112-N271 VanDerWaalsContact O-CB 3.3Å; S112-N271 WeakPolarHBondContact O-CB 3.37Å; S112-N271 PolarHBondContact O-ND2 3.41Å
113	G	56	Low	65.7	Low	3 Å²	3	51.3 Å²	51.3	3%	0.031	27%	0.269	C	S	.	.	S	Bend	trans	-77.1	-34.8	173.4	0	0	0	0	0	112.9	D49 L115 I273 K337	D49-G113 PolarHBondContact OD1-N 2.91Å; G113-L115 PolarHBondContact O-N 3.28Å; G113-I273 WeakPolarHBondContact O-CD1 3.1Å; G113-K337 PolarHBondContact O-NZ 2.72Å
114	G	57.9	Low	67.3	Low	8 Å²	8	49.2 Å²	49.2	8%	0.082	26%	0.259	C	S	.	.			trans	-91.4	99.4	-179.9	0	0	0	0	0	112.3	K103 S112	K103-G114 WeakPolarHBondContact CD-O 3.24Å; K103-G114 PolarHBondContact NZ-O 2.95Å; S112-G114 PolarHBondContact OG-O 3.49Å
115	L	56.1	Low	69.1	Low	30 Å²	30	43.3 Å²	43.3	16%	0.157	23%	0.234	C	C	.	.			trans	-81.2	-29.8	-173.3	-60.9	173	0	0	0	115.1	G113 P330 F332	G113-L115 PolarHBondContact O-N 3.28Å; L115-P330 HydrophobicContact CD1-CG 3.94Å; L115-P330 WeakPolarHBondContact CD1-O 3.47Å; L115-P330 HydrophobicContact CD2-CG 4Å; L115-F332 HydrophobicContact CD1-CD2 4.46Å; L115-F332 HydrophobicContact CD1-CE2 3.98Å
116	H	60.6	Low	71	Confident	86 Å²	86	38.5 Å²	38.5	40%	0.398	21%	0.208	S	C	.	.	S	Bend	trans	-110.5	-3.5	-160.5	-57.5	112.5	0	0	0	115.1	H99 V118	H99-H116 VanDerWaalsContact CA-O 3.32Å; H99-H116 WeakPolarHBondContact CA-O 3.47Å; H99-H116 PolarHBondContact ND1-O 2.86Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 HydrophobicContact CB-CB 4.4Å; H116-V118 HydrophobicContact CB-CG2 3.82Å; H116-V118 PolarHBondContact O-N 3.15Å
117	G	61.1	Low	73.1	Confident	16 Å²	16	31.7 Å²	31.7	17%	0.165	17%	0.172	C	C	.	.	S	Bend	trans	66	31.1	-174.3	0	0	0	0	0	113.9	H99 A100	H99-G117 VanDerWaalsContact CA-O 3.32Å; H99-G117 WeakPolarHBondContact CA-O 3.48Å; H99-G117 PolarHBondContact N-O 3.29Å; A100-G117 PolarHBondContact N-O 2.97Å; A100-G117 WeakPolarHBondContact O-CA 3.45Å
118	V	75	Confident	75.1	Confident	16 Å²	16	29.4 Å²	29.4	10%	0.097	16%	0.156	C	C	.	.			trans	-110.1	-27	-172.3	171.9	0	0	0	0	112.7	Y26 L98 H99 H116 S121 V122	Y26-V118 HydrophobicContact CD1-CG1 4Å; L98-V118 HydrophobicContact CD2-CG1 4.23Å; H99-V118 WeakPolarHBondContact CE1-CG2 3.46Å; H99-V118 WeakPolarHBondContact ND1-CG2 3.41Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 HydrophobicContact CB-CB 4.4Å; H116-V118 HydrophobicContact CB-CG2 3.82Å; H116-V118 PolarHBondContact O-N 3.15Å; V118-S121 PolarHBondContact O-OG 3.44Å; V118-S121 VanDerWaalsContact O-OG 3.1Å; V118-V122 HydrophobicContact CG1-CG2 3.39Å; V118-V122 WeakPolarHBondContact O-CB 3.27Å; V118-V122 VanDerWaalsContact O-CG2 3.22Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 3.15Å
119	G	82.8	Confident	77.3	Confident	12 Å²	12	30 Å²	30	12%	0.124	15%	0.152	C	C	.	.	H	α-helix	trans	-54.4	-68.5	-166.3	0	0	0	0	0	115.3	E42 S121 V122 V123	E42-G119 WeakPolarHBondContact OE2-CA 3.4Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 3.45Å; G119-V122 WeakPolarHBondContact O-CB 3.5Å; G119-V122 PolarHBondContact O-N 3.2Å; G119-V122 VanDerWaalsContact O-N 3.15Å; G119-V123 WeakPolarHBondContact O-CG2 3.47Å; G119-V123 PolarHBondContact O-N 3.25Å
120	V	90.6	Very high	79.3	Confident	12 Å²	12	27.4 Å²	27.4	7%	0.073	14%	0.142	C	C	.	.	H	α-helix	trans	-68.9	-29.1	-172.1	74.9	0	0	0	0	113.4	I94 M95 V123 N124	I94-V120 HydrophobicContact CG2-CG1 3.61Å; M95-V120 HydrophobicContact CE-CG2 4.04Å; M95-V120 HydrophobicContact SD-CB 4.41Å; M95-V120 HydrophobicContact SD-CG1 4.01Å; M95-V120 HydrophobicContact SD-CG2 3.55Å; M95-V120 VanDerWaalsContact SD-CG2 3.55Å; V120-V123 WeakPolarHBondContact O-CB 3.26Å; V120-V123 PolarHBondContact O-N 2.96Å; V120-N124 PolarHBondContact O-N 2.97Å
121	S	92.7	Very high	81.4	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-71.7	-33.2	174	49.4	0	0	0	0	112.1	M95 V97 V118 G119 N124 A125	M95-S121 WeakPolarHBondContact O-CA 3.29Å; V97-S121 PolarHBondContact O-OG 2.8Å; V118-S121 PolarHBondContact O-OG 3.44Å; V118-S121 VanDerWaalsContact O-OG 3.1Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 3.45Å; S121-N124 PolarHBondContact O-N 3.18Å; S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.1Å
122	V	92.7	Very high	83.2	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-42.7	167.5	166.8	0	0	0	0	111.1	V19 Y26 I27 L98 V118 G119 N124 A125 L126	V19-V122 HydrophobicContact CG1-CB 4.15Å; V19-V122 HydrophobicContact CG1-CG1 3.81Å; V19-V122 HydrophobicContact CG1-CG2 3.82Å; V19-V122 HydrophobicContact CG2-CG2 4.02Å; Y26-V122 HydrophobicContact CD1-CG2 3.9Å; Y26-V122 HydrophobicContact CG-CG2 4.11Å; I27-V122 HydrophobicContact CB-CG1 4.37Å; I27-V122 HydrophobicContact CD1-CG1 4.4Å; L98-V122 HydrophobicContact CD2-CG2 4.15Å; V118-V122 HydrophobicContact CG1-CG2 3.39Å; V118-V122 WeakPolarHBondContact O-CB 3.27Å; V118-V122 VanDerWaalsContact O-CG2 3.22Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 3.15Å; G119-V122 WeakPolarHBondContact O-CB 3.5Å; G119-V122 PolarHBondContact O-N 3.2Å; G119-V122 VanDerWaalsContact O-N 3.15Å; V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 PolarHBondContact O-N 3.26Å; V122-A125 WeakPolarHBondContact O-CB 3.38Å; V122-A125 PolarHBondContact O-N 3.35Å; V122-L126 HydrophobicContact CG1-CD1 3.91Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.08Å
123	V	94.9	Very high	85.1	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.2	-49.6	175.7	175.2	0	0	0	0	110	M39 E42 V43 G119 V120 A125 L126 S127 L130 F169	M39-V123 HydrophobicContact CB-CG1 4.46Å; M39-V123 HydrophobicContact CB-CG2 4.05Å; M39-V123 HydrophobicContact CE-CB 4.34Å; M39-V123 HydrophobicContact CE-CG1 3.81Å; M39-V123 WeakPolarHBondContact CE-O 3.37Å; M39-V123 HydrophobicContact CG-CG2 4.43Å; M39-V123 WeakPolarHBondContact O-CG2 3.48Å; E42-V123 HydrophobicContact CB-CG2 4.06Å; V43-V123 HydrophobicContact CG2-CB 4.37Å; V43-V123 HydrophobicContact CG2-CG1 3.96Å; V43-V123 HydrophobicContact CG2-CG2 4Å; G119-V123 WeakPolarHBondContact O-CG2 3.47Å; G119-V123 PolarHBondContact O-N 3.25Å; V120-V123 WeakPolarHBondContact O-CB 3.26Å; V120-V123 PolarHBondContact O-N 2.96Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-A125 PolarHBondContact O-N 2.89Å; V123-L126 CarbonylContact O-C 3.59Å; V123-L126 PolarHBondContact O-N 3.07Å; V123-S127 WeakPolarHBondContact O-CB 3.5Å; V123-S127 PolarHBondContact O-N 3.01Å; V123-S127 VanDerWaalsContact O-N 3.1Å; V123-S127 PolarHBondContact O-OG 3.14Å; V123-L130 HydrophobicContact CG1-CD1 4.24Å; V123-F169 HydrophobicContact CG1-CB 4.35Å; V123-F169 HydrophobicContact CG1-CD1 4.03Å; V123-F169 HydrophobicContact CG1-CD2 4.13Å; V123-F169 HydrophobicContact CG1-CE1 4.32Å; V123-F169 HydrophobicContact CG1-CE2 4.39Å; V123-F169 HydrophobicContact CG1-CG 3.92Å; V123-F169 HydrophobicContact CG1-CZ 4.48Å
124	N	96.5	Very high	87.1	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-42.5	177.2	-163.6	17.8	0	0	0	112.7	M95 V120 S121 V122 L126 S127 L130 Y145 G148	M95-N124 HydrophobicContact CE-CB 4.02Å; M95-N124 WeakPolarHBondContact O-CB 3.36Å; M95-N124 PolarHBondContact O-ND2 3.21Å; V120-N124 PolarHBondContact O-N 2.97Å; S121-N124 PolarHBondContact O-N 3.18Å; V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 PolarHBondContact O-N 3.26Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.14Å; N124-S127 PolarHBondContact O-N 2.86Å; N124-L130 HydrophobicContact CB-CD1 3.95Å; N124-Y145 WeakPolarHBondContact ND2-CD1 3.37Å; N124-Y145 WeakPolarHBondContact OD1-CB 3.22Å; N124-G148 WeakPolarHBondContact O-CA 3.5Å; N124-G148 PolarHBondContact O-N 3.44Å; N124-G148 VanDerWaalsContact O-N 3.14Å
125	A	95	Very high	88.9	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-34.7	178.3	0	0	0	0	0	113.4	L16 V19 R20 S121 V122 V123	L16-A125 HydrophobicContact CB-CB 3.8Å; L16-A125 HydrophobicContact CD1-CB 4.01Å; L16-A125 HydrophobicContact CD2-CB 4.08Å; L16-A125 HydrophobicContact CG-CB 4.16Å; V19-A125 HydrophobicContact CB-CB 4.01Å; V19-A125 HydrophobicContact CG1-CB 3.94Å; R20-A125 HydrophobicContact CG-CB 4.5Å; R20-A125 WeakPolarHBondContact CG-O 3.45Å; S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.1Å; V122-A125 WeakPolarHBondContact O-CB 3.38Å; V122-A125 PolarHBondContact O-N 3.35Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-A125 PolarHBondContact O-N 2.89Å
126	L	95.3	Very high	90.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	7.8	-176.4	-58.5	-174.2	0	0	0	113.2	V19 R20 P23 I27 M39 V122 V123 N124 S172 T175 F176	V19-L126 HydrophobicContact CG1-CD1 4.39Å; V19-L126 HydrophobicContact CG1-CD2 3.97Å; V19-L126 HydrophobicContact CG1-CG 4.05Å; R20-L126 HydrophobicContact CG-CD2 4.43Å; P23-L126 HydrophobicContact CB-CD1 3.91Å; P23-L126 HydrophobicContact CB-CD2 3.86Å; I27-L126 HydrophobicContact CB-CD1 4.27Å; I27-L126 HydrophobicContact CG2-CD1 3.81Å; M39-L126 HydrophobicContact CE-CB 3.98Å; M39-L126 HydrophobicContact SD-CB 4Å; V122-L126 HydrophobicContact CG1-CD1 3.91Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.08Å; V123-L126 CarbonylContact O-C 3.59Å; V123-L126 PolarHBondContact O-N 3.07Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.14Å; L126-S172 VanDerWaalsContact O-CB 3.27Å; L126-S172 WeakPolarHBondContact O-CB 3.37Å; L126-S172 PolarHBondContact O-N 2.71Å; L126-T175 HydrophobicContact CD2-CG2 4.1Å; L126-F176 HydrophobicContact CB-CE2 4.35Å
127	S	96	Very high	92.3	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.9	173.5	-68.6	0	0	0	0	111.3	M39 V123 N124 K129 H147 F169 W170	M39-S127 WeakPolarHBondContact CE-OG 3.28Å; V123-S127 WeakPolarHBondContact O-CB 3.5Å; V123-S127 PolarHBondContact O-N 3.01Å; V123-S127 VanDerWaalsContact O-N 3.1Å; V123-S127 PolarHBondContact O-OG 3.14Å; N124-S127 PolarHBondContact O-N 2.86Å; S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 WeakPolarHBondContact CB-O 3.35Å; S127-H147 WeakPolarHBondContact O-CA 3.44Å; S127-H147 PolarHBondContact O-N 3.38Å; S127-F169 WeakPolarHBondContact OG-CB 3.29Å; S127-W170 CarbonylContact C-O 3.57Å; S127-W170 WeakPolarHBondContact CA-O 3.5Å; S127-W170 VanDerWaalsContact CB-O 3.26Å; S127-W170 WeakPolarHBondContact CB-O 3.46Å
128	Q	95.2	Very high	93.8	Very high	94 Å²	94	25.1 Å²	25.1	44%	0.439	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-44.1	167.3	179.8	179.7	-0.6	0	0	110	E146 H147 W170	Q128-E146 VanDerWaalsContact O-CA 3.27Å; Q128-E146 WeakPolarHBondContact O-CA 3.26Å; Q128-H147 PolarHBondContact O-N 3.21Å; Q128-H147 VanDerWaalsContact O-N 3.12Å; Q128-W170 PolarHBondContact N-O 3.26Å
129	K	96.9	Very high	94.8	Very high	68 Å²	68	29.2 Å²	29.2	30%	0.296	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.1	176.4	-176.5	-176.4	178.2	-172.3	0	109.3	S127 I144 Y145 F169 W170	S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 WeakPolarHBondContact CB-O 3.35Å; K129-I144 HydrophobicContact CG-CG2 4.32Å; K129-Y145 CarbonylContact C-O 3.49Å; K129-Y145 WeakPolarHBondContact CA-O 3.24Å; K129-F169 WeakPolarHBondContact O-CA 3.27Å; K129-W170 HydrophobicContact CB-CB 4.22Å; K129-W170 HydrophobicContact CB-CD2 4.15Å; K129-W170 HydrophobicContact CB-CE3 3.79Å; K129-W170 HydrophobicContact CB-CG 4.36Å; K129-W170 HydrophobicContact CD-CD2 4.25Å; K129-W170 HydrophobicContact CD-CE3 3.87Å; K129-W170 HydrophobicContact CD-CH2 4.25Å; K129-W170 HydrophobicContact CD-CZ3 3.88Å; K129-W170 HydrophobicContact CG-CD2 4.46Å; K129-W170 HydrophobicContact CG-CE3 3.8Å; K129-W170 HydrophobicContact CG-CZ3 4.03Å; K129-W170 PolarHBondContact O-N 3.41Å
130	L	98.2	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.2	167.2	-175.5	156.1	0	0	0	109.3	M95 V123 N124 L132 I144 Y145 V167 R168 F169	M95-L130 HydrophobicContact CE-CD1 3.47Å; M95-L130 VanDerWaalsContact CE-CD1 3.47Å; M95-L130 HydrophobicContact CE-CD2 3.23Å; M95-L130 HydrophobicContact CE-CG 4.01Å; V123-L130 HydrophobicContact CG1-CD1 4.24Å; N124-L130 HydrophobicContact CB-CD1 3.95Å; L130-L132 HydrophobicContact CD2-CB 4.29Å; L130-I144 CarbonylContact O-C 3.58Å; L130-I144 WeakPolarHBondContact O-CA 3.38Å; L130-Y145 HydrophobicContact CD2-CD2 3.85Å; L130-Y145 HydrophobicContact CD2-CE2 4.39Å; L130-Y145 PolarHBondContact N-O 2.77Å; L130-Y145 PolarHBondContact O-N 2.83Å; L130-V167 HydrophobicContact CD1-CG1 3.94Å; L130-V167 HydrophobicContact CD2-CG1 4.22Å; L130-V167 HydrophobicContact CG-CG1 4.12Å; L130-R168 CarbonylContact C-O 3.57Å; L130-R168 WeakPolarHBondContact CA-O 3.39Å; L130-F169 HydrophobicContact CB-CB 4.31Å; L130-F169 HydrophobicContact CD1-CB 4.05Å; L130-F169 HydrophobicContact CG-CB 4.06Å
131	E	97.9	Very high	95.8	Very high	23 Å²	23	30.7 Å²	30.7	11%	0.107	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.2	175.2	179.3	177.4	176.7	0	0	109.6	V133 R142 V167 R168 W170	E131-V133 HydrophobicContact CG-CG2 4.35Å; E131-R142 IonicContact OE1-CZ 3.51Å; E131-R142 IonicContact OE1-NE 3.3Å; E131-R142 PolarHBondContact OE1-NE 3.07Å; E131-R142 IonicContact OE1-NH2 2.76Å; E131-R142 PolarHBondContact OE1-NH2 3.43Å; E131-R142 IonicContact OE2-NH2 3.62Å; E131-R142 PolarHBondContact OE2-NH2 2.94Å; E131-V167 WeakPolarHBondContact O-CA 3.4Å; E131-R168 HydrophobicContact CB-CB 4.4Å; E131-R168 PolarHBondContact N-O 3.33Å; E131-R168 PolarHBondContact O-N 3.05Å; E131-W170 HydrophobicContact CB-CZ3 4.13Å
132	L	98	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.9	176.8	178	64.7	0	0	0	109.1	I78 A91 M95 L130 I134 R142 Q143 Y145 T165 V167	I78-L132 HydrophobicContact CD1-CD1 4.19Å; A91-L132 HydrophobicContact CB-CD2 4.08Å; M95-L132 HydrophobicContact CG-CD2 3.93Å; L130-L132 HydrophobicContact CD2-CB 4.29Å; L132-I134 HydrophobicContact CD1-CD1 4.43Å; L132-I134 HydrophobicContact CD1-CG1 4.08Å; L132-I134 HydrophobicContact CD2-CD1 3.87Å; L132-I134 HydrophobicContact CD2-CG1 4.36Å; L132-I134 HydrophobicContact CG-CD1 4.09Å; L132-I134 HydrophobicContact CG-CG1 4.03Å; L132-R142 CarbonylContact O-C 3.5Å; L132-R142 VanDerWaalsContact O-CA 3.3Å; L132-R142 WeakPolarHBondContact O-CA 3.48Å; L132-Q143 PolarHBondContact N-O 3.1Å; L132-Q143 PolarHBondContact O-N 2.95Å; L132-Y145 HydrophobicContact CB-CE2 4.27Å; L132-Y145 HydrophobicContact CD2-CE2 4.49Å; L132-T165 HydrophobicContact CD1-CG2 3.72Å; L132-V167 HydrophobicContact CD1-CG2 3.7Å
133	V	97.5	Very high	96.2	Very high	14 Å²	14	35.6 Å²	35.6	9%	0.085	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.9	171.9	-177.7	0	0	0	0	108.6	E131 I140 H141 R142 T165 M166	E131-V133 HydrophobicContact CG-CG2 4.35Å; V133-I140 HydrophobicContact CG1-CG2 3.75Å; V133-H141 CarbonylContact C-O 3.59Å; V133-H141 VanDerWaalsContact CA-O 3.32Å; V133-H141 WeakPolarHBondContact CA-O 3.38Å; V133-R142 HydrophobicContact CG2-CG 4.2Å; V133-T165 CarbonylContact O-C 3.55Å; V133-T165 WeakPolarHBondContact O-CA 3.45Å; V133-M166 HydrophobicContact CB-CB 4.22Å; V133-M166 HydrophobicContact CB-CE 4.15Å; V133-M166 HydrophobicContact CG2-CE 4.12Å; V133-M166 HydrophobicContact CG2-SD 4.4Å; V133-M166 PolarHBondContact N-O 3.19Å; V133-M166 PolarHBondContact O-N 3.38Å
134	I	97.7	Very high	96.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.7	-179.8	-59.6	161.7	0	0	0	108.7	I78 T80 A91 L132 R136 I140 H141 T165	I78-I134 HydrophobicContact CB-CD1 3.84Å; I78-I134 HydrophobicContact CB-CG1 4.24Å; I78-I134 HydrophobicContact CG2-CD1 4.32Å; I78-I134 WeakPolarHBondContact O-CG2 3.5Å; T80-I134 HydrophobicContact CG2-CB 4.32Å; T80-I134 HydrophobicContact CG2-CD1 4.13Å; T80-I134 HydrophobicContact CG2-CG2 3.84Å; A91-I134 HydrophobicContact CB-CD1 3.64Å; L132-I134 HydrophobicContact CD1-CD1 4.43Å; L132-I134 HydrophobicContact CD1-CG1 4.08Å; L132-I134 HydrophobicContact CD2-CD1 3.87Å; L132-I134 HydrophobicContact CD2-CG1 4.36Å; L132-I134 HydrophobicContact CG-CD1 4.09Å; L132-I134 HydrophobicContact CG-CG1 4.03Å; I134-R136 HydrophobicContact CG2-CB 4Å; I134-I140 WeakPolarHBondContact O-CA 3.43Å; I134-H141 HydrophobicContact CB-CB 4.36Å; I134-H141 PolarHBondContact N-O 3.2Å; I134-H141 PolarHBondContact O-N 3.39Å; I134-T165 HydrophobicContact CG1-CG2 4.44Å
135	Q	96.9	Very high	96.4	Very high	36 Å²	36	38.1 Å²	38.1	17%	0.168	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.1	172.5	-63.2	-178.6	-6.8	0	0	107.6	I140 T160 K162 T163 G164	Q135-I140 HydrophobicContact CG-CG1 4.4Å; Q135-T160 HydrophobicContact CB-CG2 3.88Å; Q135-T160 HydrophobicContact CG-CG2 4.06Å; Q135-K162 VanDerWaalsContact OE1-CB 3.26Å; Q135-T163 CarbonylContact O-C 3.22Å; Q135-T163 VanDerWaalsContact O-CA 3.25Å; Q135-T163 WeakPolarHBondContact O-CA 3.47Å; Q135-G164 PolarHBondContact N-O 3.43Å; Q135-G164 PolarHBondContact O-N 2.92Å
136	R	95	Very high	96.5	Very high	63 Å²	63	42.6 Å²	42.6	24%	0.238	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	143.2	-175.7	-173.7	171.3	177.4	122.8	3.9	110.4	R76 G77 I134 G138 K139	R76-R136 PolarHBondContact O-NH1 3.15Å; G77-R136 PolarHBondContact O-NH1 3.01Å; I134-R136 HydrophobicContact CG2-CB 4Å; R136-G138 VanDerWaalsContact C-N 3.3Å; R136-G138 PolarHBondContact O-N 3.33Å; R136-K139 PolarHBondContact N-O 3.38Å; R136-K139 PolarHBondContact O-N 3.27Å; R136-K139 VanDerWaalsContact O-N 3.09Å; R136-K139 VanDerWaalsContact O-O 3.13Å
137	E	92.8	Very high	96.4	Very high	141 Å²	141	45.7 Å²	45.7	66%	0.659	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.6	174.3	-69.1	161.4	-149.2	0	0	113.6	K139	E137-K139 VanDerWaalsContact C-N 3.25Å; E137-K139 PolarHBondContact O-N 2.93Å
138	G	93.2	Very high	96.2	Very high	43 Å²	43	45.9 Å²	45.9	44%	0.443	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	1.3	178	0	0	0	0	0	114.9	R136 E159 T160	R136-G138 VanDerWaalsContact C-N 3.3Å; R136-G138 PolarHBondContact O-N 3.33Å; G138-E159 WeakPolarHBondContact O-CA 3.46Å; G138-T160 CarbonylContact C-O 3.57Å; G138-T160 VanDerWaalsContact C-O 3.3Å; G138-T160 WeakPolarHBondContact CA-O 3.08Å; G138-T160 PolarHBondContact O-N 3.46Å
139	K	95.6	Very high	96.2	Very high	102 Å²	102	45.3 Å²	45.3	44%	0.443	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	-169.1	-67.8	176.2	-177.2	177.2	0	112.3	R136 E137 H141 V156	R136-K139 PolarHBondContact N-O 3.38Å; R136-K139 PolarHBondContact O-N 3.27Å; R136-K139 VanDerWaalsContact O-N 3.09Å; R136-K139 VanDerWaalsContact O-O 3.13Å; E137-K139 VanDerWaalsContact C-N 3.25Å; E137-K139 PolarHBondContact O-N 2.93Å; K139-H141 VanDerWaalsContact CB-CE1 3.45Å; K139-H141 WeakPolarHBondContact CB-CE1 3.39Å; K139-V156 HydrophobicContact CB-CG1 4.14Å; K139-V156 HydrophobicContact CD-CG1 4.16Å; K139-V156 HydrophobicContact CD-CG2 4.04Å; K139-V156 HydrophobicContact CG-CG1 4.18Å
140	I	96.5	Very high	96.1	Very high	39 Å²	39	43.7 Å²	43.7	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.6	167.4	-53.1	178.3	0	0	0	107.3	V133 I134 Q135 V156 T157 G158 T160	V133-I140 HydrophobicContact CG1-CG2 3.75Å; I134-I140 WeakPolarHBondContact O-CA 3.43Å; Q135-I140 HydrophobicContact CG-CG1 4.4Å; I140-V156 CarbonylContact O-C 3.55Å; I140-V156 WeakPolarHBondContact O-CA 3.17Å; I140-T157 PolarHBondContact O-N 2.72Å; I140-T157 PolarHBondContact O-OG1 3.02Å; I140-G158 PolarHBondContact N-O 3.19Å; I140-T160 HydrophobicContact CG1-CG2 3.65Å
141	H	97.4	Very high	96.1	Very high	17 Å²	17	48.3 Å²	48.3	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.7	173.8	-56.9	76.1	0	0	0	109.4	T80 V133 I134 K139 L154 A155	T80-H141 HydrophobicContact CG2-CB 4.34Å; V133-H141 CarbonylContact C-O 3.59Å; V133-H141 VanDerWaalsContact CA-O 3.32Å; V133-H141 WeakPolarHBondContact CA-O 3.38Å; I134-H141 HydrophobicContact CB-CB 4.36Å; I134-H141 PolarHBondContact N-O 3.2Å; I134-H141 PolarHBondContact O-N 3.39Å; K139-H141 VanDerWaalsContact CB-CE1 3.45Å; K139-H141 WeakPolarHBondContact CB-CE1 3.39Å; H141-L154 HydrophobicContact CB-CD1 3.81Å; H141-L154 HydrophobicContact CB-CD2 4.13Å; H141-L154 HydrophobicContact CB-CG 3.93Å; H141-A155 CarbonylContact C-O 3.55Å; H141-A155 VanDerWaalsContact CA-O 3.24Å; H141-A155 WeakPolarHBondContact CA-O 3.31Å
142	R	97.3	Very high	96	Very high	100 Å²	100	49.9 Å²	49.9	38%	0.377	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.6	178.6	-168.8	175	-175.6	-162.9	1.6	110.9	E131 L132 V133 A155 T157	E131-R142 IonicContact OE1-CZ 3.51Å; E131-R142 IonicContact OE1-NE 3.3Å; E131-R142 PolarHBondContact OE1-NE 3.07Å; E131-R142 IonicContact OE1-NH2 2.76Å; E131-R142 PolarHBondContact OE1-NH2 3.43Å; E131-R142 IonicContact OE2-NH2 3.62Å; E131-R142 PolarHBondContact OE2-NH2 2.94Å; L132-R142 CarbonylContact O-C 3.5Å; L132-R142 VanDerWaalsContact O-CA 3.3Å; L132-R142 WeakPolarHBondContact O-CA 3.48Å; V133-R142 HydrophobicContact CG2-CG 4.2Å; R142-A155 PolarHBondContact N-O 3.36Å; R142-A155 PolarHBondContact O-N 2.97Å; R142-A155 VanDerWaalsContact O-N 3.15Å; R142-T157 HydrophobicContact CB-CG2 3.62Å
143	Q	97.3	Very high	95.8	Very high	5 Å²	5	55 Å²	55	2%	0.023	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.1	170.7	-162.1	167.5	22.3	0	0	110	E92 L132 Y145 A152 L154	E92-Q143 PolarHBondContact OE2-NE2 3.13Å; L132-Q143 PolarHBondContact N-O 3.1Å; L132-Q143 PolarHBondContact O-N 2.95Å; Q143-Y145 HydrophobicContact CB-CE2 4.01Å; Q143-Y145 VanDerWaalsContact CD-OH 3.26Å; Q143-Y145 HydrophobicContact CG-CE2 3.85Å; Q143-Y145 PolarHBondContact OE1-OH 3.48Å; Q143-A152 WeakPolarHBondContact CG-O 3.47Å; Q143-A152 PolarHBondContact NE2-O 2.74Å; Q143-L154 HydrophobicContact CB-CD1 3.78Å
144	I	97.7	Very high	95.8	Very high	53 Å²	53	55.8 Å²	55.8	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	178.4	-61.7	172.5	0	0	0	108	K129 L130 Q151	K129-I144 HydrophobicContact CG-CG2 4.32Å; L130-I144 CarbonylContact O-C 3.58Å; L130-I144 WeakPolarHBondContact O-CA 3.38Å; I144-Q151 HydrophobicContact CG2-CG 4.18Å; I144-Q151 WeakPolarHBondContact O-CB 3.38Å; I144-Q151 PolarHBondContact O-N 3.5Å
145	Y	97.7	Very high	95.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.3	177	-59.5	-100.9	0	0	0	109.6	E92 M95 T96 N124 K129 L130 L132 Q143 V149 P150	E92-Y145 WeakPolarHBondContact CA-OH 3.48Å; M95-Y145 HydrophobicContact CB-CE1 3.88Å; M95-Y145 HydrophobicContact CB-CE2 4.27Å; M95-Y145 WeakPolarHBondContact CB-OH 3.48Å; M95-Y145 HydrophobicContact CG-CE2 4.23Å; T96-Y145 HydrophobicContact CG2-CD1 4.22Å; T96-Y145 HydrophobicContact CG2-CE1 3.69Å; N124-Y145 WeakPolarHBondContact ND2-CD1 3.37Å; N124-Y145 WeakPolarHBondContact OD1-CB 3.22Å; K129-Y145 CarbonylContact C-O 3.49Å; K129-Y145 WeakPolarHBondContact CA-O 3.24Å; L130-Y145 HydrophobicContact CD2-CD2 3.85Å; L130-Y145 HydrophobicContact CD2-CE2 4.39Å; L130-Y145 PolarHBondContact N-O 2.77Å; L130-Y145 PolarHBondContact O-N 2.83Å; L132-Y145 HydrophobicContact CB-CE2 4.27Å; L132-Y145 HydrophobicContact CD2-CE2 4.49Å; Q143-Y145 HydrophobicContact CB-CE2 4.01Å; Q143-Y145 VanDerWaalsContact CD-OH 3.26Å; Q143-Y145 HydrophobicContact CG-CE2 3.85Å; Q143-Y145 PolarHBondContact OE1-OH 3.48Å; Y145-V149 CarbonylContact C-O 3.56Å; Y145-V149 VanDerWaalsContact CA-O 3.22Å; Y145-V149 WeakPolarHBondContact CA-O 3.45Å; Y145-P150 HydrophobicContact CD1-CB 3.92Å; Y145-P150 HydrophobicContact CE1-CB 3.72Å; Y145-P150 HydrophobicContact CE1-CG 4.33Å
146	E	96.2	Very high	95.6	Very high	96 Å²	96	60.2 Å²	60.2	45%	0.449	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.6	168	-62.6	-176.3	175.5	0	0	108.4	Q128 G148 V149 Q151	Q128-E146 VanDerWaalsContact O-CA 3.27Å; Q128-E146 WeakPolarHBondContact O-CA 3.26Å; E146-G148 PolarHBondContact O-N 2.91Å; E146-G148 VanDerWaalsContact O-N 3.15Å; E146-V149 PolarHBondContact N-O 3.49Å; E146-V149 WeakPolarHBondContact O-CB 3.12Å; E146-V149 PolarHBondContact O-N 3.16Å; E146-Q151 HydrophobicContact CB-CG 4.49Å; E146-Q151 HydrophobicContact CG-CG 3.88Å
147	H	92.6	Very high	95.6	Very high	64 Å²	64	61.2 Å²	61.2	30%	0.296	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.1	43.5	-175.3	-60.3	-79.6	0	0	0	113.4	R20 S127 Q128 V149	R20-H147 PolarHBondContact NH1-O 3.37Å; S127-H147 WeakPolarHBondContact O-CA 3.44Å; S127-H147 PolarHBondContact O-N 3.38Å; Q128-H147 PolarHBondContact O-N 3.21Å; Q128-H147 VanDerWaalsContact O-N 3.12Å; H147-V149 VanDerWaalsContact C-N 3.29Å; H147-V149 PolarHBondContact O-N 3.39Å
148	G	93	Very high	95.6	Very high	5 Å²	5	55.7 Å²	55.7	5%	0.052	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	3	-179.5	0	0	0	0	0	116.1	N124 E146	N124-G148 WeakPolarHBondContact O-CA 3.5Å; N124-G148 PolarHBondContact O-N 3.44Å; N124-G148 VanDerWaalsContact O-N 3.14Å; E146-G148 PolarHBondContact O-N 2.91Å; E146-G148 VanDerWaalsContact O-N 3.15Å
149	V	94.7	Very high	95.6	Very high	82 Å²	82	62 Å²	62	50%	0.497	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.4	-179.4	-176.5	0	0	0	0	110.1	Y145 E146 H147 Q151	Y145-V149 CarbonylContact C-O 3.56Å; Y145-V149 VanDerWaalsContact CA-O 3.22Å; Y145-V149 WeakPolarHBondContact CA-O 3.45Å; E146-V149 PolarHBondContact N-O 3.49Å; E146-V149 WeakPolarHBondContact O-CB 3.12Å; E146-V149 PolarHBondContact O-N 3.16Å; H147-V149 VanDerWaalsContact C-N 3.29Å; H147-V149 PolarHBondContact O-N 3.39Å; V149-Q151 PolarHBondContact O-N 3.31Å; V149-Q151 PolarHBondContact O-NE2 2.84Å
150	P	96.1	Very high	95.5	Very high	35 Å²	35	58.3 Å²	58.3	23%	0.227	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	132.2	177	26.3	-32.9	0	0	0	110.8	E92 Y145	E92-P150 HydrophobicContact CG-CB 4.49Å; E92-P150 HydrophobicContact CG-CG 4.21Å; Y145-P150 HydrophobicContact CD1-CB 3.92Å; Y145-P150 HydrophobicContact CE1-CB 3.72Å; Y145-P150 HydrophobicContact CE1-CG 4.33Å
151	Q	97.2	Very high	95.3	Very high	96 Å²	96	66.2 Å²	66.2	45%	0.449	36%	0.364	S	S	.	.	S	Bend	trans	-81.6	-23.4	179.9	-61	-52.7	-60.1	0	0	112.8	I144 E146 V149	I144-Q151 HydrophobicContact CG2-CG 4.18Å; I144-Q151 WeakPolarHBondContact O-CB 3.38Å; I144-Q151 PolarHBondContact O-N 3.5Å; E146-Q151 HydrophobicContact CB-CG 4.49Å; E146-Q151 HydrophobicContact CG-CG 3.88Å; V149-Q151 PolarHBondContact O-N 3.31Å; V149-Q151 PolarHBondContact O-NE2 2.84Å
152	A	95.6	Very high	95.2	Very high	57 Å²	57	72.4 Å²	72.4	47%	0.471	39%	0.391	S	S	.	.	S	Bend	trans	-156.6	161.3	173.5	0	0	0	0	0	109.1	Q143	Q143-A152 WeakPolarHBondContact CG-O 3.47Å; Q143-A152 PolarHBondContact NE2-O 2.74Å
153	P	94.5	Very high	95.1	Very high	106 Å²	106	71 Å²	71	69%	0.688	39%	0.394	S	S	*	.			trans	-57.6	154.6	167.9	-23.1	34.3	0	0	0	111.9	A155	P153-A155 PolarHBondContact O-N 3.16Å; P153-A155 VanDerWaalsContact O-N 3.12Å
154	L	96	Very high	95.1	Very high	31 Å²	31	70.9 Å²	70.9	16%	0.162	39%	0.394	C	S	.	.			trans	-55.1	116.6	176.9	-174.5	69.4	0	0	0	110.9	T80 A91 H141 Q143	T80-L154 HydrophobicContact CG2-CD2 3.91Å; A91-L154 HydrophobicContact CB-CD2 4.17Å; H141-L154 HydrophobicContact CB-CD1 3.81Å; H141-L154 HydrophobicContact CB-CD2 4.13Å; H141-L154 HydrophobicContact CB-CG 3.93Å; Q143-L154 HydrophobicContact CB-CD1 3.78Å
155	A	95.2	Very high	95.1	Very high	50 Å²	50	68.9 Å²	68.9	41%	0.413	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.9	-175	0	0	0	0	0	111.5	H141 R142 P153	H141-A155 CarbonylContact C-O 3.55Å; H141-A155 VanDerWaalsContact CA-O 3.24Å; H141-A155 WeakPolarHBondContact CA-O 3.31Å; R142-A155 PolarHBondContact N-O 3.36Å; R142-A155 PolarHBondContact O-N 2.97Å; R142-A155 VanDerWaalsContact O-N 3.15Å; P153-A155 PolarHBondContact O-N 3.16Å; P153-A155 VanDerWaalsContact O-N 3.12Å
156	V	96	Very high	95.1	Very high	80 Å²	80	71.3 Å²	71.3	49%	0.485	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.6	168.8	-179.5	0	0	0	0	108.3	K139 I140	K139-V156 HydrophobicContact CB-CG1 4.14Å; K139-V156 HydrophobicContact CD-CG1 4.16Å; K139-V156 HydrophobicContact CD-CG2 4.04Å; K139-V156 HydrophobicContact CG-CG1 4.18Å; I140-V156 CarbonylContact O-C 3.55Å; I140-V156 WeakPolarHBondContact O-CA 3.17Å
157	T	94.5	Very high	95.2	Very high	83 Å²	83	67 Å²	67	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-5.4	-177.6	57	0	0	0	0	113.8	I140 R142	I140-T157 PolarHBondContact O-N 2.72Å; I140-T157 PolarHBondContact O-OG1 3.02Å; R142-T157 HydrophobicContact CB-CG2 3.62Å
158	G	93.2	Very high	95.5	Very high	26 Å²	26	66.6 Å²	66.6	27%	0.268	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-178.1	178.4	0	0	0	0	0	113	I140	I140-G158 PolarHBondContact N-O 3.19Å
159	E	94.1	Very high	95.7	Very high	174 Å²	174	66.4 Å²	66.4	81%	0.813	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	152	174.5	-63.5	-174.7	169.9	0	0	110.2	G138	G138-E159 WeakPolarHBondContact O-CA 3.46Å
160	T	93.1	Very high	95.8	Very high	26 Å²	26	64.5 Å²	64.5	16%	0.16	35%	0.353	C	S	.	.			trans	-156.9	147.6	179.4	-172	0	0	0	0	111.9	Q135 G138 I140 K162	Q135-T160 HydrophobicContact CB-CG2 3.88Å; Q135-T160 HydrophobicContact CG-CG2 4.06Å; G138-T160 CarbonylContact C-O 3.57Å; G138-T160 VanDerWaalsContact C-O 3.3Å; G138-T160 WeakPolarHBondContact CA-O 3.08Å; G138-T160 PolarHBondContact O-N 3.46Å; I140-T160 HydrophobicContact CG1-CG2 3.65Å; T160-K162 PolarHBondContact OG1-N 3.49Å; T160-K162 VanDerWaalsContact OG1-N 3.14Å
161	E	92.9	Very high	95.7	Very high	204 Å²	204	63.4 Å²	63.4	95%	0.953	35%	0.346	S	S	*	.	S	Bend	trans	-90.1	-6.7	170	-61.6	-173.7	165.3	0	0	112.7
162	K	93.8	Very high	95.5	Very high	147 Å²	147	59 Å²	59	64%	0.639	33%	0.326	S	S	*	.			trans	-89.8	162.7	-177.2	-62.8	-178.8	-177.9	178.9	0	111.5	Q135 T160	Q135-K162 VanDerWaalsContact OE1-CB 3.26Å; T160-K162 PolarHBondContact OG1-N 3.49Å; T160-K162 VanDerWaalsContact OG1-N 3.14Å
163	T	96.9	Very high	95.2	Very high	72 Å²	72	61.5 Å²	61.5	44%	0.442	33%	0.331	S	S	.	.			trans	-122.4	155.3	169	57.3	0	0	0	0	110.3	G75 Q135	G75-T163 CarbonylContact O-C 3.56Å; G75-T163 VanDerWaalsContact O-CB 3.22Å; G75-T163 WeakPolarHBondContact O-CB 3.32Å; G75-T163 PolarHBondContact O-OG1 2.95Å; Q135-T163 CarbonylContact O-C 3.22Å; Q135-T163 VanDerWaalsContact O-CA 3.25Å; Q135-T163 WeakPolarHBondContact O-CA 3.47Å
164	G	96.7	Very high	94.9	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.7	179.4	175.3	0	0	0	0	0	113.7	D73 G75 Q135	D73-G164 WeakPolarHBondContact O-CA 3.32Å; G75-G164 WeakPolarHBondContact O-CA 3.45Å; G75-G164 PolarHBondContact O-N 3.24Å; Q135-G164 PolarHBondContact N-O 3.43Å; Q135-G164 PolarHBondContact O-N 2.92Å
165	T	97.6	Very high	94.5	Very high	11 Å²	11	63.7 Å²	63.7	7%	0.067	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.3	172.8	-64.1	0	0	0	0	110.1	Q72 D73 G77 I78 L132 V133 I134 V167	Q72-T165 CarbonylContact C-O 3.57Å; Q72-T165 VanDerWaalsContact CA-O 3.3Å; Q72-T165 WeakPolarHBondContact CA-O 3.33Å; D73-T165 PolarHBondContact N-O 3.28Å; D73-T165 PolarHBondContact O-N 3.24Å; D73-T165 PolarHBondContact OD1-N 2.95Å; D73-T165 WeakPolarHBondContact OD2-CB 3.37Å; G77-T165 WeakPolarHBondContact CA-OG1 3.43Å; I78-T165 HydrophobicContact CD1-CG2 3.93Å; I78-T165 HydrophobicContact CG1-CG2 4.12Å; I78-T165 PolarHBondContact N-OG1 3.19Å; I78-T165 VanDerWaalsContact N-OG1 3.13Å; L132-T165 HydrophobicContact CD1-CG2 3.72Å; V133-T165 CarbonylContact O-C 3.55Å; V133-T165 WeakPolarHBondContact O-CA 3.45Å; I134-T165 HydrophobicContact CG1-CG2 4.44Å; T165-V167 HydrophobicContact CG2-CG2 4.04Å
166	M	98	Very high	94.2	Very high	50 Å²	50	61.4 Å²	61.4	25%	0.246	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.9	167.9	-175.7	-137.8	-51	0	0	108.5	V71 Q72 V133	V71-M166 WeakPolarHBondContact O-CA 3.37Å; Q72-M166 HydrophobicContact CB-CB 4.25Å; Q72-M166 HydrophobicContact CB-CG 4.13Å; Q72-M166 HydrophobicContact CG-CB 4.24Å; V133-M166 HydrophobicContact CB-CB 4.22Å; V133-M166 HydrophobicContact CB-CE 4.15Å; V133-M166 HydrophobicContact CG2-CE 4.12Å; V133-M166 HydrophobicContact CG2-SD 4.4Å; V133-M166 PolarHBondContact N-O 3.19Å; V133-M166 PolarHBondContact O-N 3.38Å
167	V	98.1	Very high	93.6	Very high	6 Å²	6	61.6 Å²	61.6	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115	172.9	174.3	0	0	0	0	107.1	V43 S70 V71 L130 E131 L132 T165	V43-V167 HydrophobicContact CG1-CB 3.82Å; V43-V167 HydrophobicContact CG1-CG1 4.11Å; V43-V167 HydrophobicContact CG1-CG2 4.25Å; V43-V167 HydrophobicContact CG2-CG1 4.34Å; S70-V167 CarbonylContact C-O 3.52Å; S70-V167 VanDerWaalsContact CA-O 3.25Å; S70-V167 WeakPolarHBondContact CA-O 3.39Å; V71-V167 PolarHBondContact N-O 3.28Å; V71-V167 PolarHBondContact O-N 3.44Å; L130-V167 HydrophobicContact CD1-CG1 3.94Å; L130-V167 HydrophobicContact CD2-CG1 4.22Å; L130-V167 HydrophobicContact CG-CG1 4.12Å; E131-V167 WeakPolarHBondContact O-CA 3.4Å; L132-V167 HydrophobicContact CD1-CG2 3.7Å; T165-V167 HydrophobicContact CG2-CG2 4.04Å
168	R	98.1	Very high	92.9	Very high	56 Å²	56	62.9 Å²	62.9	21%	0.211	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.7	171.8	-176.6	176.2	177.4	-174.1	-0.5	109.7	D66 S68 V69 L130 E131 W170	D66-R168 IonicContact OD1-NH2 2.91Å; D66-R168 PolarHBondContact OD1-NH2 2.67Å; D66-R168 IonicContact OD2-NH2 3.05Å; D66-R168 PolarHBondContact OD2-NH2 3.26Å; S68-R168 PolarHBondContact OG-NE 3.4Å; S68-R168 PolarHBondContact OG-NH2 2.94Å; S68-R168 VanDerWaalsContact OG-NH2 3.1Å; V69-R168 CarbonylContact O-C 3.53Å; V69-R168 VanDerWaalsContact O-CA 3.32Å; V69-R168 WeakPolarHBondContact O-CA 3.4Å; L130-R168 CarbonylContact C-O 3.57Å; L130-R168 WeakPolarHBondContact CA-O 3.39Å; E131-R168 HydrophobicContact CB-CB 4.4Å; E131-R168 PolarHBondContact N-O 3.33Å; E131-R168 PolarHBondContact O-N 3.05Å; R168-W170 HydrophobicContact CB-CZ3 4.29Å; R168-W170 VanDerWaalsContact CD-CH2 3.45Å; R168-W170 HydrophobicContact CG-CE3 4.41Å; R168-W170 HydrophobicContact CG-CH2 3.71Å; R168-W170 HydrophobicContact CG-CZ2 4.33Å; R168-W170 HydrophobicContact CG-CZ3 3.75Å; R168-W170 VanDerWaalsContact CZ-CZ2 3.44Å; R168-W170 VanDerWaalsContact NE-CZ2 3.29Å
169	F	97.8	Very high	92.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	144.7	-175.7	69.8	-90.8	0	0	0	112.6	M39 V40 V43 S68 V69 V123 S127 K129 L130 P171 F182	M39-F169 HydrophobicContact CB-CE2 3.93Å; M39-F169 HydrophobicContact CB-CZ 4.02Å; M39-F169 HydrophobicContact CE-CD2 3.77Å; M39-F169 HydrophobicContact CE-CE2 3.76Å; V40-F169 HydrophobicContact CB-CZ 4.47Å; V40-F169 HydrophobicContact CG2-CZ 3.78Å; V43-F169 HydrophobicContact CG2-CD1 4.49Å; V43-F169 HydrophobicContact CG2-CE1 4.2Å; S68-F169 WeakPolarHBondContact CA-O 3.36Å; S68-F169 VanDerWaalsContact CB-O 3.25Å; S68-F169 WeakPolarHBondContact CB-O 3.19Å; V69-F169 HydrophobicContact CB-CE1 4.02Å; V69-F169 HydrophobicContact CB-CZ 4.05Å; V69-F169 HydrophobicContact CG1-CE1 4.14Å; V69-F169 HydrophobicContact CG1-CZ 4.4Å; V69-F169 PolarHBondContact N-O 3.4Å; V69-F169 VanDerWaalsContact N-O 3.1Å; V69-F169 WeakPolarHBondContact O-CD1 3.48Å; V69-F169 PolarHBondContact O-N 2.99Å; V123-F169 HydrophobicContact CG1-CB 4.35Å; V123-F169 HydrophobicContact CG1-CD1 4.03Å; V123-F169 HydrophobicContact CG1-CD2 4.13Å; V123-F169 HydrophobicContact CG1-CE1 4.32Å; V123-F169 HydrophobicContact CG1-CE2 4.39Å; V123-F169 HydrophobicContact CG1-CG 3.92Å; V123-F169 HydrophobicContact CG1-CZ 4.48Å; S127-F169 WeakPolarHBondContact OG-CB 3.29Å; K129-F169 WeakPolarHBondContact O-CA 3.27Å; L130-F169 HydrophobicContact CB-CB 4.31Å; L130-F169 HydrophobicContact CD1-CB 4.05Å; L130-F169 HydrophobicContact CG-CB 4.06Å; F169-P171 HydrophobicContact CD2-CG 4.34Å; F169-P171 HydrophobicContact CE2-CG 4.24Å; F169-F182 HydrophobicContact CE2-CE1 4.4Å; F169-F182 AromaticContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CZ-CZ 4.15Å
170	W	96.3	Very high	91.8	Very high	42 Å²	42	57.7 Å²	57.7	16%	0.159	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	109.4	175.8	-70	-103.6	0	0	0	107.4	D66 S127 Q128 K129 E131 R168	D66-W170 PolarHBondContact OD2-NE1 2.66Å; S127-W170 CarbonylContact C-O 3.57Å; S127-W170 WeakPolarHBondContact CA-O 3.5Å; S127-W170 VanDerWaalsContact CB-O 3.26Å; S127-W170 WeakPolarHBondContact CB-O 3.46Å; Q128-W170 PolarHBondContact N-O 3.26Å; K129-W170 HydrophobicContact CB-CB 4.22Å; K129-W170 HydrophobicContact CB-CD2 4.15Å; K129-W170 HydrophobicContact CB-CE3 3.79Å; K129-W170 HydrophobicContact CB-CG 4.36Å; K129-W170 HydrophobicContact CD-CD2 4.25Å; K129-W170 HydrophobicContact CD-CE3 3.87Å; K129-W170 HydrophobicContact CD-CH2 4.25Å; K129-W170 HydrophobicContact CD-CZ3 3.88Å; K129-W170 HydrophobicContact CG-CD2 4.46Å; K129-W170 HydrophobicContact CG-CE3 3.8Å; K129-W170 HydrophobicContact CG-CZ3 4.03Å; K129-W170 PolarHBondContact O-N 3.41Å; E131-W170 HydrophobicContact CB-CZ3 4.13Å; R168-W170 HydrophobicContact CB-CZ3 4.29Å; R168-W170 VanDerWaalsContact CD-CH2 3.45Å; R168-W170 HydrophobicContact CG-CE3 4.41Å; R168-W170 HydrophobicContact CG-CH2 3.71Å; R168-W170 HydrophobicContact CG-CZ2 4.33Å; R168-W170 HydrophobicContact CG-CZ3 3.75Å; R168-W170 VanDerWaalsContact CZ-CZ2 3.44Å; R168-W170 VanDerWaalsContact NE-CZ2 3.29Å
171	P	94.3	Very high	91.5	Very high	12 Å²	12	62.6 Å²	62.6	8%	0.078	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	142	178	-25.2	34	0	0	0	112.1	L36 F169 L173 F176 F182	L36-P171 HydrophobicContact CD1-CB 3.6Å; L36-P171 HydrophobicContact CD1-CG 3.49Å; L36-P171 VanDerWaalsContact CD1-CG 3.49Å; F169-P171 HydrophobicContact CD2-CG 4.34Å; F169-P171 HydrophobicContact CE2-CG 4.24Å; P171-L173 PolarHBondContact O-N 3.03Å; P171-F176 HydrophobicContact CB-CD2 3.94Å; P171-F176 HydrophobicContact CB-CE2 4.28Å; P171-F182 HydrophobicContact CG-CE1 4.49Å; P171-F182 HydrophobicContact CG-CE2 3.52Å; P171-F182 HydrophobicContact CG-CZ 3.36Å
172	S	93.2	Very high	91.5	Very high	3 Å²	3	53 Å²	53	2%	0.021	27%	0.27	C	S	.	.			trans	-69.4	116.6	176.1	177.8	0	0	0	0	110.5	L126 E174 T175 F176	L126-S172 VanDerWaalsContact O-CB 3.27Å; L126-S172 WeakPolarHBondContact O-CB 3.37Å; L126-S172 PolarHBondContact O-N 2.71Å; S172-E174 PolarHBondContact O-N 2.96Å; S172-E174 PolarHBondContact OG-N 3.49Å; S172-T175 PolarHBondContact O-N 3.22Å; S172-F176 PolarHBondContact O-N 3.17Å
173	L	89	Confident	91.3	Very high	110 Å²	110	48.7 Å²	48.7	58%	0.576	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-12	173.7	-57.7	-178.9	0	0	0	112.9	P171 T180	P171-L173 PolarHBondContact O-N 3.03Å; L173-T180 HydrophobicContact CD2-CG2 3.74Å
174	E	88	Confident	91	Very high	161 Å²	161	45.8 Å²	45.8	75%	0.752	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.2	170.8	-59.2	-175.6	169.4	0	0	112.4	S172	S172-E174 PolarHBondContact O-N 2.96Å; S172-E174 PolarHBondContact OG-N 3.49Å
175	T	88.2	Confident	90.6	Very high	23 Å²	23	50.5 Å²	50.5	14%	0.141	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-45.8	178.8	-58.6	0	0	0	0	110.9	P23 T30 L126 S172	P23-T175 HydrophobicContact CB-CG2 3.96Å; P23-T175 HydrophobicContact CG-CG2 3.98Å; T30-T175 HydrophobicContact CG2-CG2 4Å; L126-T175 HydrophobicContact CD2-CG2 4.1Å; S172-T175 PolarHBondContact O-N 3.22Å
176	F	88.8	Confident	90.3	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	26%	0.261	C	S	.	.			trans	-105	92.4	-177.8	-59.2	-78.8	0	0	0	108.7	T30 L36 M39 L126 P171 S172 T180	T30-F176 HydrophobicContact CG2-CD1 4.39Å; T30-F176 HydrophobicContact CG2-CE1 3.96Å; L36-F176 HydrophobicContact CB-CD1 3.93Å; L36-F176 HydrophobicContact CB-CE1 3.9Å; L36-F176 HydrophobicContact CD1-CD1 4.35Å; L36-F176 HydrophobicContact CD1-CD2 4.19Å; L36-F176 HydrophobicContact CD1-CE1 4.5Å; L36-F176 HydrophobicContact CD1-CE2 4.35Å; L36-F176 HydrophobicContact CD1-CG 4.2Å; L36-F176 HydrophobicContact CD1-CZ 4.49Å; M39-F176 HydrophobicContact CG-CZ 4.4Å; M39-F176 HydrophobicContact SD-CE2 3.41Å; M39-F176 WeakPolarHBondContact SD-CE2 3.29Å; M39-F176 HydrophobicContact SD-CZ 3.46Å; M39-F176 WeakPolarHBondContact SD-CZ 3.19Å; L126-F176 HydrophobicContact CB-CE2 4.35Å; P171-F176 HydrophobicContact CB-CD2 3.94Å; P171-F176 HydrophobicContact CB-CE2 4.28Å; S172-F176 PolarHBondContact O-N 3.17Å; F176-T180 VanDerWaalsContact O-CG2 3.24Å; F176-T180 WeakPolarHBondContact O-CG2 3.5Å
177	T	82.8	Confident	90.1	Very high	84 Å²	84	49.5 Å²	49.5	52%	0.515	25%	0.25	S	C	.	.	S	Bend	trans	-95.8	-30.5	-172.9	57.5	0	0	0	0	113.6
178	N	79.5	Confident	89.8	Confident	110 Å²	110	49.3 Å²	49.3	59%	0.588	25%	0.248	S	C	*	.	S	Bend	trans	-94.9	-46.8	-173.3	-63.9	-12.8	0	0	0	112.2	D31	D31-N178 WeakPolarHBondContact O-CB 3.42Å
179	V	80.8	Confident	89.4	Confident	39 Å²	39	48.5 Å²	48.5	24%	0.236	25%	0.246	C	C	.	.			trans	-118.1	106.2	177.5	-178.4	0	0	0	0	108.1	L36	L36-V179 HydrophobicContact CD2-CG1 4.48Å
180	T	84.9	Confident	89.1	Confident	52 Å²	52	49.2 Å²	49.2	32%	0.319	25%	0.249	S	C	.	.			trans	-103.4	-17.9	-179.4	53.6	0	0	0	0	112.8	N67 L173 F176	N67-T180 PolarHBondContact ND2-O 3.43Å; L173-T180 HydrophobicContact CD2-CG2 3.74Å; F176-T180 VanDerWaalsContact O-CG2 3.24Å; F176-T180 WeakPolarHBondContact O-CG2 3.5Å
181	E	86.2	Confident	89	Confident	129 Å²	129	47.3 Å²	47.3	60%	0.603	24%	0.242	S	C	*	.	S	Bend	trans	-94.9	133.8	-173.7	-64.6	-172.9	173.5	0	0	111.9
182	F	92.1	Very high	88.9	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.013	25%	0.247	C	C	.	.			trans	-72.2	133.7	170.5	-66.6	-79.8	0	0	0	110.4	L36 V40 I63 N67 V69 F169 P171 R209	L36-F182 HydrophobicContact CD1-CD1 4.37Å; L36-F182 HydrophobicContact CD1-CE1 3.67Å; L36-F182 HydrophobicContact CD1-CE2 4.33Å; L36-F182 HydrophobicContact CD1-CZ 3.67Å; L36-F182 HydrophobicContact CD2-CD1 4.27Å; L36-F182 HydrophobicContact CD2-CE1 4.38Å; L36-F182 HydrophobicContact CG-CD1 3.9Å; L36-F182 HydrophobicContact CG-CE1 3.61Å; L36-F182 HydrophobicContact CG-CZ 4.12Å; L36-F182 WeakPolarHBondContact O-CE1 3.32Å; V40-F182 HydrophobicContact CG2-CD1 3.87Å; V40-F182 HydrophobicContact CG2-CE1 3.48Å; V40-F182 VanDerWaalsContact CG2-CE1 3.48Å; V40-F182 HydrophobicContact CG2-CZ 4.27Å; I63-F182 HydrophobicContact CD1-CB 4.21Å; I63-F182 HydrophobicContact CG2-CB 4.43Å; N67-F182 WeakPolarHBondContact O-CD2 3.3Å; N67-F182 VanDerWaalsContact O-CE2 3.26Å; N67-F182 WeakPolarHBondContact O-CE2 3.44Å; N67-F182 PolarHBondContact OD1-N 3.13Å; V69-F182 HydrophobicContact CB-CE2 4.25Å; V69-F182 HydrophobicContact CB-CZ 4.28Å; V69-F182 HydrophobicContact CG2-CB 4.46Å; V69-F182 HydrophobicContact CG2-CD1 4.02Å; V69-F182 HydrophobicContact CG2-CD2 3.41Å; V69-F182 VanDerWaalsContact CG2-CD2 3.41Å; V69-F182 HydrophobicContact CG2-CE1 4.02Å; V69-F182 HydrophobicContact CG2-CE2 3.4Å; V69-F182 VanDerWaalsContact CG2-CE2 3.4Å; V69-F182 HydrophobicContact CG2-CG 3.7Å; V69-F182 HydrophobicContact CG2-CZ 3.7Å; F169-F182 HydrophobicContact CE2-CE1 4.4Å; F169-F182 AromaticContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CZ-CZ 4.15Å; P171-F182 HydrophobicContact CG-CE1 4.49Å; P171-F182 HydrophobicContact CG-CE2 3.52Å; P171-F182 HydrophobicContact CG-CZ 3.36Å; F182-R209 PolarHBondContact O-NH1 2.85Å; F182-R209 PolarHBondContact O-NH2 2.83Å
183	E	89.7	Confident	88.9	Confident	56 Å²	56	49.6 Å²	49.6	26%	0.262	25%	0.249	S	C	.	.			trans	-93.5	114.4	174.7	-57.9	-163.9	-130.5	0	0	110.3	H37 E185 I186 L187 K768	H37-E183 WeakPolarHBondContact NE2-CA 3.46Å; H37-E183 WeakPolarHBondContact NE2-CB 3.44Å; H37-E183 PolarHBondContact NE2-N 3.07Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.23Å; E183-I186 HydrophobicContact CB-CB 4.39Å; E183-I186 HydrophobicContact CB-CD1 3.96Å; E183-I186 HydrophobicContact CB-CG1 4.05Å; E183-I186 HydrophobicContact CG-CD1 4.28Å; E183-I186 PolarHBondContact O-N 2.76Å; E183-L187 PolarHBondContact O-N 3.44Å; E183-K768 IonicContact OE1-NZ 2.89Å; E183-K768 PolarHBondContact OE1-NZ 2.91Å; E183-K768 VanDerWaalsContact OE2-CD 3.25Å; E183-K768 WeakPolarHBondContact OE2-CD 3.28Å; E183-K768 WeakPolarHBondContact OE2-CE 3.26Å; E183-K768 IonicContact OE2-NZ 2.74Å; E183-K768 PolarHBondContact OE2-NZ 3.01Å
184	Y	91.5	Very high	89	Confident	12 Å²	12	44.4 Å²	44.4	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-53.1	-44.8	-179.9	-176.8	-82.7	0	0	0	113	I63 I186 L187 A188 L205 D207 K212 E213 D214	I63-Y184 HydrophobicContact CD1-CD2 4.27Å; Y184-I186 VanDerWaalsContact C-N 3.3Å; Y184-I186 PolarHBondContact O-N 3.48Å; Y184-L187 PolarHBondContact O-N 3.2Å; Y184-A188 HydrophobicContact CD1-CB 4.03Å; Y184-A188 HydrophobicContact CE1-CB 3.78Å; Y184-A188 WeakPolarHBondContact O-CB 3.45Å; Y184-A188 PolarHBondContact O-N 2.79Å; Y184-L205 HydrophobicContact CD1-CD2 4.14Å; Y184-L205 HydrophobicContact CD2-CD2 3.78Å; Y184-L205 HydrophobicContact CD2-CG 4.02Å; Y184-L205 HydrophobicContact CE1-CD2 3.83Å; Y184-L205 HydrophobicContact CE2-CB 4.46Å; Y184-L205 HydrophobicContact CE2-CD1 4.5Å; Y184-L205 HydrophobicContact CE2-CD2 3.53Å; Y184-L205 HydrophobicContact CE2-CG 3.51Å; Y184-L205 HydrophobicContact CG-CD2 4.13Å; Y184-D207 HydrophobicContact CD2-CB 3.63Å; Y184-D207 HydrophobicContact CE2-CB 3.91Å; Y184-K212 HydrophobicContact CD1-CD 3.61Å; Y184-K212 HydrophobicContact CD2-CB 4.5Å; Y184-K212 HydrophobicContact CD2-CD 4.3Å; Y184-K212 HydrophobicContact CE1-CD 3.45Å; Y184-K212 VanDerWaalsContact CE1-CD 3.45Å; Y184-K212 HydrophobicContact CE1-CG 3.98Å; Y184-K212 HydrophobicContact CE2-CB 4.06Å; Y184-K212 HydrophobicContact CE2-CD 4.1Å; Y184-K212 HydrophobicContact CE2-CG 4.03Å; Y184-K212 HydrophobicContact CG-CD 4.02Å; Y184-E213 VanDerWaalsContact OH-C 3.26Å; Y184-D214 WeakPolarHBondContact CE1-OD2 3.27Å; Y184-D214 WeakPolarHBondContact OH-CB 3.49Å; Y184-D214 VanDerWaalsContact OH-CG 3.26Å; Y184-D214 PolarHBondContact OH-N 2.7Å; Y184-D214 PolarHBondContact OH-OD2 3.12Å
185	E	88.6	Confident	89.2	Confident	101 Å²	101	36.7 Å²	36.7	47%	0.472	19%	0.186	S	C	.	.	H	α-helix	trans	-65.1	-33.9	-173.7	-54.9	-58.6	168.6	0	0	112.7	E183 A188 K189 K212	E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.23Å; E185-A188 PolarHBondContact O-N 2.86Å; E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.34Å; E185-K212 IonicContact OE1-NZ 2.85Å; E185-K212 PolarHBondContact OE1-NZ 2.71Å; E185-K212 IonicContact OE2-NZ 4Å; E185-K212 PolarHBondContact OE2-NZ 2.8Å; E185-K212 VanDerWaalsContact OE2-NZ 3.15Å
186	I	89.5	Confident	89.4	Confident	40 Å²	40	35.7 Å²	35.7	21%	0.205	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-42.5	177.2	-64	-179	0	0	0	109.9	H37 F41 E183 Y184 R190	H37-I186 HydrophobicContact CB-CG2 4.02Å; F41-I186 HydrophobicContact CZ-CG2 4.02Å; E183-I186 HydrophobicContact CB-CB 4.39Å; E183-I186 HydrophobicContact CB-CD1 3.96Å; E183-I186 HydrophobicContact CB-CG1 4.05Å; E183-I186 HydrophobicContact CG-CD1 4.28Å; E183-I186 PolarHBondContact O-N 2.76Å; Y184-I186 VanDerWaalsContact C-N 3.3Å; Y184-I186 PolarHBondContact O-N 3.48Å; I186-R190 PolarHBondContact O-N 2.84Å
187	L	93.7	Very high	89.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-47.2	176	-57	-174.1	0	0	0	111.2	H37 V40 F41 I63 E183 Y184 K189 R190 L191 L205	H37-L187 HydrophobicContact CB-CD2 4.45Å; V40-L187 HydrophobicContact CB-CD2 3.88Å; V40-L187 HydrophobicContact CG1-CD1 4.33Å; V40-L187 HydrophobicContact CG1-CD2 3.94Å; V40-L187 HydrophobicContact CG2-CD1 4.39Å; V40-L187 HydrophobicContact CG2-CD2 4Å; F41-L187 HydrophobicContact CD1-CD2 4.38Å; F41-L187 HydrophobicContact CE1-CD2 3.6Å; F41-L187 HydrophobicContact CZ-CD2 4.11Å; I63-L187 HydrophobicContact CD1-CD1 3.94Å; I63-L187 HydrophobicContact CG1-CD1 4.1Å; E183-L187 PolarHBondContact O-N 3.44Å; Y184-L187 PolarHBondContact O-N 3.2Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.35Å; L187-R190 PolarHBondContact O-N 3.09Å; L187-R190 VanDerWaalsContact O-N 3.13Å; L187-L191 WeakPolarHBondContact O-CB 3.33Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.44Å; L187-L205 HydrophobicContact CB-CD1 4.24Å; L187-L205 HydrophobicContact CB-CD2 3.96Å; L187-L205 HydrophobicContact CD1-CD1 4.31Å
188	A	92.8	Very high	89.7	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-45.7	-179.9	0	0	0	0	0	111.8	Y184 E185 R190 R192 L205 F216	Y184-A188 HydrophobicContact CD1-CB 4.03Å; Y184-A188 HydrophobicContact CE1-CB 3.78Å; Y184-A188 WeakPolarHBondContact O-CB 3.45Å; Y184-A188 PolarHBondContact O-N 2.79Å; E185-A188 PolarHBondContact O-N 2.86Å; A188-R190 PolarHBondContact O-N 3.04Å; A188-R192 VanDerWaalsContact O-CB 3.3Å; A188-R192 WeakPolarHBondContact O-CB 3.21Å; A188-R192 PolarHBondContact O-N 2.87Å; A188-L205 HydrophobicContact CB-CD2 3.73Å; A188-F216 HydrophobicContact CB-CZ 4.06Å; A188-F216 WeakPolarHBondContact O-CZ 3.26Å
189	K	90	Very high	90	Very high	40 Å²	40	30.7 Å²	30.7	17%	0.174	16%	0.155	C	C	.	.	H	α-helix	trans	-54.4	-54.6	174.6	-177.9	-163.4	-175.1	-179.5	0	111.4	E185 L187 R192 E193 D769	E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.34Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.35Å; K189-R192 WeakPolarHBondContact O-CB 3.42Å; K189-R192 PolarHBondContact O-N 3.28Å; K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 3.4Å; K189-D769 WeakPolarHBondContact CB-OD2 3.12Å; K189-D769 HydrophobicContact CD-CB 3.97Å; K189-D769 WeakPolarHBondContact CD-OD1 3.39Å; K189-D769 WeakPolarHBondContact CE-OD1 3.47Å; K189-D769 HydrophobicContact CG-CB 4.44Å; K189-D769 VanDerWaalsContact CG-CG 3.47Å; K189-D769 WeakPolarHBondContact CG-OD1 3.38Å; K189-D769 WeakPolarHBondContact CG-OD2 3.22Å; K189-D769 IonicContact NZ-OD1 2.86Å
190	R	90.8	Very high	90.2	Very high	15 Å²	15	30.4 Å²	30.4	6%	0.057	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-42.6	-173.6	-175.7	63.6	-177.9	135.3	10.2	112	F41 D45 I186 L187 A188 R192 E193 L194 N272 P274	F41-R190 HydrophobicContact CD1-CB 4.16Å; F41-R190 HydrophobicContact CD1-CG 3.68Å; F41-R190 HydrophobicContact CD2-CG 4.48Å; F41-R190 HydrophobicContact CE1-CB 3.46Å; F41-R190 VanDerWaalsContact CE1-CB 3.46Å; F41-R190 HydrophobicContact CE1-CG 3.5Å; F41-R190 VanDerWaalsContact CE1-CG 3.5Å; F41-R190 HydrophobicContact CE2-CG 4.34Å; F41-R190 HydrophobicContact CG-CG 4.18Å; F41-R190 HydrophobicContact CZ-CB 3.67Å; F41-R190 HydrophobicContact CZ-CG 3.85Å; D45-R190 IonicContact OD1-NH2 3.6Å; I186-R190 PolarHBondContact O-N 2.84Å; L187-R190 PolarHBondContact O-N 3.09Å; L187-R190 VanDerWaalsContact O-N 3.13Å; A188-R190 PolarHBondContact O-N 3.04Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 3.4Å; R190-E193 IonicContact NH1-OE2 3.43Å; R190-E193 PolarHBondContact NH1-OE2 3.35Å; R190-E193 PolarHBondContact O-N 3.29Å; R190-L194 HydrophobicContact CG-CD1 4.35Å; R190-L194 WeakPolarHBondContact O-CG 3.1Å; R190-L194 PolarHBondContact O-N 3.45Å; R190-N272 PolarHBondContact NH1-O 3.33Å; R190-N272 VanDerWaalsContact NH1-O 3.15Å; R190-N272 PolarHBondContact NH2-O 3.06Å; R190-P274 VanDerWaalsContact CZ-CD 3.46Å; R190-P274 VanDerWaalsContact NH1-CD 3.34Å
191	L	94.2	Very high	90.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-36.6	178	-64.4	173.8	0	0	0	111.6	V44 V61 L187 L194 S195 I203 L205 F216	V44-L191 HydrophobicContact CG1-CD2 3.72Å; V44-L191 HydrophobicContact CG2-CD2 4.03Å; V61-L191 HydrophobicContact CB-CD1 3.99Å; V61-L191 HydrophobicContact CG1-CD1 4.4Å; V61-L191 HydrophobicContact CG2-CD1 3.83Å; V61-L191 HydrophobicContact CG2-CD2 3.93Å; L187-L191 WeakPolarHBondContact O-CB 3.33Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.44Å; L191-L194 HydrophobicContact CD2-CD1 4.49Å; L191-L194 PolarHBondContact O-N 2.82Å; L191-S195 PolarHBondContact O-N 3.12Å; L191-S195 PolarHBondContact O-OG 2.58Å; L191-I203 HydrophobicContact CB-CG2 3.9Å; L191-I203 HydrophobicContact CD1-CG2 4.25Å; L191-I203 HydrophobicContact CD2-CG2 3.78Å; L191-I203 HydrophobicContact CG-CG2 4.17Å; L191-L205 HydrophobicContact CD1-CB 3.84Å; L191-L205 HydrophobicContact CD1-CD1 3.94Å; L191-L205 HydrophobicContact CD1-CD2 4.19Å; L191-L205 HydrophobicContact CD1-CG 4.2Å; L191-F216 HydrophobicContact CB-CD2 3.81Å; L191-F216 HydrophobicContact CB-CE2 3.83Å
192	R	92.9	Very high	91	Very high	50 Å²	50	23 Å²	23	19%	0.189	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-48.9	171.9	-167.4	-167.8	-50.4	-86.1	-1.6	111.9	A188 K189 R190 L194 S195 F196 F216 Y218 Y228	A188-R192 VanDerWaalsContact O-CB 3.3Å; A188-R192 WeakPolarHBondContact O-CB 3.21Å; A188-R192 PolarHBondContact O-N 2.87Å; K189-R192 WeakPolarHBondContact O-CB 3.42Å; K189-R192 PolarHBondContact O-N 3.28Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 3.4Å; R192-L194 VanDerWaalsContact C-N 3.3Å; R192-L194 PolarHBondContact O-N 2.98Å; R192-S195 PolarHBondContact O-N 3.1Å; R192-S195 PolarHBondContact O-OG 3.4Å; R192-F196 HydrophobicContact CG-CD2 4.36Å; R192-F196 HydrophobicContact CG-CE2 3.94Å; R192-F196 VanDerWaalsContact O-CD2 3.31Å; R192-F196 WeakPolarHBondContact O-CD2 3.44Å; R192-F196 PolarHBondContact O-N 2.93Å; R192-F216 HydrophobicContact CB-CD1 3.91Å; R192-F216 HydrophobicContact CB-CE1 3.97Å; R192-F216 HydrophobicContact CB-CG 4.26Å; R192-F216 HydrophobicContact CB-CZ 4.35Å; R192-F216 HydrophobicContact CG-CD1 3.93Å; R192-F216 HydrophobicContact CG-CE1 4.19Å; R192-F216 VanDerWaalsContact CZ-CE1 3.47Å; R192-Y218 HydrophobicContact CG-CE2 3.87Å; R192-Y218 PolarHBondContact NH1-OH 3.37Å; R192-Y228 VanDerWaalsContact CD-CZ 3.48Å; R192-Y228 WeakPolarHBondContact CD-OH 3.47Å; R192-Y228 PolarHBondContact NE-OH 2.92Å; R192-Y228 PolarHBondContact NH1-OH 2.96Å
193	E	91.9	Very high	91.2	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.056	12%	0.123	C	C	.	.	H	α-helix	trans	-56.3	-45.7	175.7	-68.1	171.4	178.2	0	0	111.4	K189 R190 S195 F196 L197 F225 F269 I771	K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 3.4Å; R190-E193 IonicContact NH1-OE2 3.43Å; R190-E193 PolarHBondContact NH1-OE2 3.35Å; R190-E193 PolarHBondContact O-N 3.29Å; E193-S195 PolarHBondContact O-N 2.9Å; E193-F196 PolarHBondContact O-N 2.96Å; E193-L197 WeakPolarHBondContact O-CD1 3.27Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.38Å; E193-L197 PolarHBondContact O-N 3.36Å; E193-F225 HydrophobicContact CG-CE1 4.41Å; E193-F225 HydrophobicContact CG-CZ 3.95Å; E193-F269 HydrophobicContact CB-CE1 4.47Å; E193-I771 HydrophobicContact CG-CD1 4.32Å
194	L	92.3	Very high	91.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-39.7	179.8	-75.2	170.7	0	0	0	112.9	V44 I48 R190 L191 R192 F196 L197 N198 I203 N272	V44-L194 HydrophobicContact CG1-CD1 3.62Å; I48-L194 HydrophobicContact CD1-CB 4.15Å; I48-L194 HydrophobicContact CD1-CD1 4.48Å; I48-L194 HydrophobicContact CG1-CD1 4.14Å; I48-L194 HydrophobicContact CG1-CD2 4.24Å; I48-L194 HydrophobicContact CG2-CD2 4.49Å; R190-L194 HydrophobicContact CG-CD1 4.35Å; R190-L194 WeakPolarHBondContact O-CG 3.1Å; R190-L194 PolarHBondContact O-N 3.45Å; L191-L194 HydrophobicContact CD2-CD1 4.49Å; L191-L194 PolarHBondContact O-N 2.82Å; R192-L194 VanDerWaalsContact C-N 3.3Å; R192-L194 PolarHBondContact O-N 2.98Å; L194-F196 VanDerWaalsContact C-N 3.32Å; L194-F196 PolarHBondContact O-N 2.91Å; L194-L197 PolarHBondContact O-N 2.91Å; L194-N198 WeakPolarHBondContact O-CB 3.39Å; L194-N198 PolarHBondContact O-N 3.35Å; L194-N198 PolarHBondContact O-ND2 3Å; L194-I203 HydrophobicContact CB-CD1 3.95Å; L194-N272 HydrophobicContact CD2-CB 3.96Å
195	S	92.6	Very high	91.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.1	-29.2	176.9	60	0	0	0	0	113.4	L191 R192 E193 N198 F216 Y218	L191-S195 PolarHBondContact O-N 3.12Å; L191-S195 PolarHBondContact O-OG 2.58Å; R192-S195 PolarHBondContact O-N 3.1Å; R192-S195 PolarHBondContact O-OG 3.4Å; E193-S195 PolarHBondContact O-N 2.9Å; S195-N198 CarbonylContact O-C 3.24Å; S195-F216 WeakPolarHBondContact OG-CB 3.42Å; S195-Y218 WeakPolarHBondContact OG-CD2 3.41Å
196	F	92.4	Very high	92.3	Very high	1 Å²	1	22 Å²	22	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-73.3	-40.4	169.8	-77.3	-64.7	0	0	0	112.7	R192 E193 L194 N198 Y218 G221 A224 F225 Y228	R192-F196 HydrophobicContact CG-CD2 4.36Å; R192-F196 HydrophobicContact CG-CE2 3.94Å; R192-F196 VanDerWaalsContact O-CD2 3.31Å; R192-F196 WeakPolarHBondContact O-CD2 3.44Å; R192-F196 PolarHBondContact O-N 2.93Å; E193-F196 PolarHBondContact O-N 2.96Å; L194-F196 VanDerWaalsContact C-N 3.32Å; L194-F196 PolarHBondContact O-N 2.91Å; F196-N198 PolarHBondContact O-N 3.42Å; F196-Y218 HydrophobicContact CD1-CD1 4.39Å; F196-Y218 HydrophobicContact CD1-CD2 4.06Å; F196-Y218 AromaticContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD2-CD2 4.09Å; F196-Y218 HydrophobicContact CD2-CE2 4.3Å; F196-Y218 AromaticContact CE1-CD1 3.5Å; F196-Y218 HydrophobicContact CE1-CD1 3.5Å; F196-Y218 AromaticContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CE1 4.08Å; F196-Y218 HydrophobicContact CE1-CE2 4.33Å; F196-Y218 AromaticContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE2-CD1 4.48Å; F196-Y218 AromaticContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CE1 4.39Å; F196-Y218 AromaticContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CG 4.21Å; F196-Y218 HydrophobicContact CG-CD2 4.19Å; F196-Y218 HydrophobicContact CG-CG 4.39Å; F196-Y218 AromaticContact CZ-CD1 3.55Å; F196-Y218 HydrophobicContact CZ-CD1 3.55Å; F196-Y218 AromaticContact CZ-CD2 3.64Å; F196-Y218 HydrophobicContact CZ-CD2 3.64Å; F196-Y218 AromaticContact CZ-CE1 3.61Å; F196-Y218 HydrophobicContact CZ-CE1 3.61Å; F196-Y218 AromaticContact CZ-CE2 3.72Å; F196-Y218 HydrophobicContact CZ-CE2 3.72Å; F196-Y218 AromaticContact CZ-CG 3.56Å; F196-Y218 HydrophobicContact CZ-CG 3.56Å; F196-Y218 AromaticContact CZ-CZ 3.7Å; F196-G221 CarbonylContact O-C 3.55Å; F196-G221 VanDerWaalsContact O-C 3.24Å; F196-G221 WeakPolarHBondContact O-CA 3.49Å; F196-A224 HydrophobicContact CD1-CB 4.18Å; F196-A224 HydrophobicContact CE1-CB 4.03Å; F196-A224 WeakPolarHBondContact CE1-O 3.44Å; F196-F225 HydrophobicContact CB-CB 3.76Å; F196-F225 HydrophobicContact CB-CD1 3.85Å; F196-F225 HydrophobicContact CB-CD2 4.41Å; F196-F225 HydrophobicContact CB-CG 3.76Å; F196-F225 HydrophobicContact CD1-CB 3.7Å; F196-F225 HydrophobicContact CD1-CD2 4.47Å; F196-F225 HydrophobicContact CD1-CG 4.21Å; F196-F225 HydrophobicContact CD2-CB 4.11Å; F196-F225 HydrophobicContact CD2-CD1 4.3Å; F196-F225 AromaticContact CD2-CD2 3.43Å; F196-F225 HydrophobicContact CD2-CD2 3.43Å; F196-F225 VanDerWaalsContact CD2-CD2 3.43Å; F196-F225 AromaticContact CD2-CE2 3.91Å; F196-F225 HydrophobicContact CD2-CE2 3.91Å; F196-F225 AromaticContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CE1-CB 4.31Å; F196-F225 AromaticContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CE2 4.19Å; F196-F225 HydrophobicContact CE2-CG 4.33Å; F196-F225 HydrophobicContact CG-CB 3.6Å; F196-F225 HydrophobicContact CG-CD1 4.2Å; F196-F225 AromaticContact CG-CD2 3.87Å; F196-F225 HydrophobicContact CG-CD2 3.87Å; F196-F225 AromaticContact CG-CG 3.63Å; F196-F225 HydrophobicContact CG-CG 3.63Å; F196-F225 HydrophobicContact CZ-CD2 4.35Å; F196-Y228 AromaticContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CE1 4.43Å; F196-Y228 AromaticContact CE2-CG 3.9Å; F196-Y228 HydrophobicContact CE2-CG 3.9Å; F196-Y228 VanDerWaalsContact CZ-CB 3.46Å; F196-Y228 HydrophobicContact CZ-CD1 4.04Å; F196-Y228 HydrophobicContact CZ-CD2 4.16Å; F196-Y228 AromaticContact CZ-CG 3.62Å; F196-Y228 HydrophobicContact CZ-CG 3.62Å
197	L	90.5	Very high	92.4	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.063	11%	0.105	C	C	.	.	H	α-helix	trans	-71.7	-18.5	-179.5	-66.7	163.5	0	0	0	112.9	E193 L194 I222 F269 N272	E193-L197 WeakPolarHBondContact O-CD1 3.27Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.38Å; E193-L197 PolarHBondContact O-N 3.36Å; L194-L197 PolarHBondContact O-N 2.91Å; L197-I222 HydrophobicContact CD2-CG2 3.91Å; L197-F269 HydrophobicContact CD1-CD1 3.48Å; L197-F269 VanDerWaalsContact CD1-CD1 3.48Å; L197-F269 HydrophobicContact CD1-CD2 4.46Å; L197-F269 HydrophobicContact CD1-CE1 3.68Å; L197-F269 HydrophobicContact CD1-CG 3.91Å; L197-F269 HydrophobicContact CD1-CZ 4.27Å; L197-F269 HydrophobicContact CD2-CB 4.17Å; L197-F269 HydrophobicContact CD2-CD1 4.31Å; L197-F269 HydrophobicContact CD2-CD2 3.88Å; L197-F269 HydrophobicContact CD2-CE2 4.35Å; L197-F269 HydrophobicContact CD2-CG 3.86Å; L197-N272 HydrophobicContact CD1-CB 4.38Å
198	N	87.7	Confident	92.2	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.053	12%	0.119	C	C	.	.	S	Bend	trans	-127.8	74.8	178.9	-54.6	-82	0	0	0	108.8	L52 L194 S195 F196 G200 V201 N272	L52-N198 WeakPolarHBondContact CD2-OD1 3.47Å; L52-N198 WeakPolarHBondContact CG-OD1 3.43Å; L194-N198 WeakPolarHBondContact O-CB 3.39Å; L194-N198 PolarHBondContact O-N 3.35Å; L194-N198 PolarHBondContact O-ND2 3Å; S195-N198 CarbonylContact O-C 3.24Å; F196-N198 PolarHBondContact O-N 3.42Å; N198-G200 PolarHBondContact O-N 3.23Å; N198-V201 HydrophobicContact CB-CB 4.31Å; N198-V201 HydrophobicContact CB-CG2 3.72Å; N198-V201 WeakPolarHBondContact O-CB 3.5Å; N198-V201 WeakPolarHBondContact O-CG2 3.31Å; N198-V201 PolarHBondContact O-N 3.29Å; N198-V201 VanDerWaalsContact O-N 3.08Å; N198-N272 PolarHBondContact ND2-ND2 2.98Å; N198-N272 VanDerWaalsContact ND2-ND2 3.12Å; N198-N272 PolarHBondContact OD1-ND2 3.28Å
199	S	85.5	Confident	91.7	Very high	68 Å²	68	26.7 Å²	26.7	48%	0.476	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	128.2	-176.3	-174.5	0	0	0	0	111.6	G220	S199-G220 PolarHBondContact OG-N 3.15Å
200	G	84.6	Confident	91.2	Very high	34 Å²	34	29.2 Å²	29.2	35%	0.351	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-3.4	178.6	0	0	0	0	0	115.7	N198 H217 Y218	N198-G200 PolarHBondContact O-N 3.23Å; G200-H217 PolarHBondContact O-CE1 3.43Å; G200-Y218 PolarHBondContact N-O 3.02Å; G200-Y218 VanDerWaalsContact N-O 3.1Å
201	V	91.6	Very high	90.7	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	17%	0.17	C	C	.	.			trans	-76.6	133.2	169.7	-177.4	0	0	0	0	109.4	A51 I59 N198 I203 H217	A51-V201 HydrophobicContact CB-CG1 4.28Å; A51-V201 HydrophobicContact CB-CG2 3.64Å; I59-V201 HydrophobicContact CD1-CG1 4.05Å; I59-V201 HydrophobicContact CG1-CG1 4.37Å; N198-V201 HydrophobicContact CB-CB 4.31Å; N198-V201 HydrophobicContact CB-CG2 3.72Å; N198-V201 WeakPolarHBondContact O-CB 3.5Å; N198-V201 WeakPolarHBondContact O-CG2 3.31Å; N198-V201 PolarHBondContact O-N 3.29Å; N198-V201 VanDerWaalsContact O-N 3.08Å; V201-I203 HydrophobicContact CG1-CD1 4.44Å; V201-I203 HydrophobicContact CG1-CG1 3.95Å; V201-H217 PolarHBondContact O-ND1 3.12Å
202	S	95.3	Very high	90.3	Very high	14 Å²	14	34.1 Å²	34.1	10%	0.098	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.1	175.1	175.3	0	0	0	0	109.5	K57 E58 I59 H215	K57-S202 WeakPolarHBondContact O-CB 3.38Å; K57-S202 PolarHBondContact O-N 2.93Å; E58-S202 CarbonylContact C-O 3.3Å; E58-S202 WeakPolarHBondContact CA-O 3.46Å; I59-S202 PolarHBondContact N-O 2.7Å; S202-H215 PolarHBondContact OG-NE2 2.83Å
203	I	97	Very high	90.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.1	179.1	-50.9	179.7	0	0	0	109.5	I48 I59 L191 L194 V201 F216	I48-I203 HydrophobicContact CD1-CD1 3.93Å; I59-I203 HydrophobicContact CB-CG1 4.4Å; I59-I203 HydrophobicContact CB-CG2 4.46Å; I59-I203 CarbonylContact O-C 3.55Å; I59-I203 WeakPolarHBondContact O-CA 3.29Å; L191-I203 HydrophobicContact CB-CG2 3.9Å; L191-I203 HydrophobicContact CD1-CG2 4.25Å; L191-I203 HydrophobicContact CD2-CG2 3.78Å; L191-I203 HydrophobicContact CG-CG2 4.17Å; L194-I203 HydrophobicContact CB-CD1 3.95Å; V201-I203 HydrophobicContact CG1-CD1 4.44Å; V201-I203 HydrophobicContact CG1-CG1 3.95Å; I203-F216 HydrophobicContact CB-CB 4.48Å; I203-F216 PolarHBondContact N-O 3.41Å; I203-F216 PolarHBondContact O-N 3.46Å
204	R	97.6	Very high	90.5	Very high	61 Å²	61	37.9 Å²	37.9	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134	176	-62.1	-177.4	-172.8	-79.1	-6.6	110.4	E58 I59 I60 V61 D214 H215	E58-R204 IonicContact OE1-CZ 2.7Å; E58-R204 IonicContact OE1-NE 3.81Å; E58-R204 PolarHBondContact OE1-NE 3.36Å; E58-R204 IonicContact OE1-NH2 3.16Å; I59-R204 PolarHBondContact O-N 3.38Å; I60-R204 HydrophobicContact CG1-CB 4.49Å; I60-R204 HydrophobicContact CG2-CB 4.47Å; V61-R204 PolarHBondContact N-O 2.91Å; R204-D214 WeakPolarHBondContact CA-O 3.03Å; R204-H215 PolarHBondContact NH1-ND1 3.14Å; R204-H215 PolarHBondContact NH2-CE1 2.98Å
205	L	97.8	Very high	90.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.4	169.5	178.7	62.6	0	0	0	108.9	V61 Y184 L187 A188 L191 E213 D214 F216	V61-L205 HydrophobicContact CB-CD1 3.91Å; V61-L205 HydrophobicContact CG1-CD1 3.74Å; V61-L205 CarbonylContact O-C 3.59Å; V61-L205 WeakPolarHBondContact O-CA 3.27Å; Y184-L205 HydrophobicContact CD1-CD2 4.14Å; Y184-L205 HydrophobicContact CD2-CD2 3.78Å; Y184-L205 HydrophobicContact CD2-CG 4.02Å; Y184-L205 HydrophobicContact CE1-CD2 3.83Å; Y184-L205 HydrophobicContact CE2-CB 4.46Å; Y184-L205 HydrophobicContact CE2-CD1 4.5Å; Y184-L205 HydrophobicContact CE2-CD2 3.53Å; Y184-L205 HydrophobicContact CE2-CG 3.51Å; Y184-L205 HydrophobicContact CG-CD2 4.13Å; L187-L205 HydrophobicContact CB-CD1 4.24Å; L187-L205 HydrophobicContact CB-CD2 3.96Å; L187-L205 HydrophobicContact CD1-CD1 4.31Å; A188-L205 HydrophobicContact CB-CD2 3.73Å; L191-L205 HydrophobicContact CD1-CB 3.84Å; L191-L205 HydrophobicContact CD1-CD1 3.94Å; L191-L205 HydrophobicContact CD1-CD2 4.19Å; L191-L205 HydrophobicContact CD1-CG 4.2Å; L205-E213 CarbonylContact O-C 3.51Å; L205-E213 VanDerWaalsContact O-CA 3.25Å; L205-E213 WeakPolarHBondContact O-CA 3.49Å; L205-D214 PolarHBondContact N-O 3.15Å; L205-D214 PolarHBondContact O-N 3.41Å; L205-F216 HydrophobicContact CB-CE2 4.32Å
206	R	96.7	Very high	90.7	Very high	92 Å²	92	42 Å²	42	35%	0.347	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133	179.3	-67.1	174.8	176.5	168.7	-1.9	110.3	V61 T62 I63 E213	V61-R206 PolarHBondContact O-N 3.12Å; T62-R206 CarbonylContact C-O 3.56Å; T62-R206 WeakPolarHBondContact CA-O 3.43Å; T62-R206 HydrophobicContact CG2-CB 4.29Å; I63-R206 PolarHBondContact N-O 3.34Å; R206-E213 HydrophobicContact CG-CB 4.41Å; R206-E213 HydrophobicContact CG-CG 3.85Å; R206-E213 IonicContact CZ-OE1 2.72Å; R206-E213 IonicContact NE-OE1 3.84Å; R206-E213 PolarHBondContact NE-OE1 3.05Å; R206-E213 IonicContact NE-OE2 3.83Å; R206-E213 IonicContact NH2-OE1 3.27Å; R206-E213 PolarHBondContact NH2-OE1 3.44Å
207	D	93.3	Very high	90.8	Very high	3 Å²	3	46 Å²	46	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.5	170.9	-160.2	-28.9	0	0	0	110	Y184 R209 D210 G211 K212	Y184-D207 HydrophobicContact CD2-CB 3.63Å; Y184-D207 HydrophobicContact CE2-CB 3.91Å; D207-R209 PolarHBondContact O-N 3.2Å; D207-R209 WeakPolarHBondContact OD1-CB 3.26Å; D207-R209 VanDerWaalsContact OD1-CG 3.32Å; D207-R209 WeakPolarHBondContact OD1-CG 3.43Å; D207-R209 IonicContact OD1-CZ 3.88Å; D207-R209 PolarHBondContact OD1-N 3.46Å; D207-R209 IonicContact OD1-NE 2.71Å; D207-R209 PolarHBondContact OD1-NE 2.81Å; D207-R209 IonicContact OD1-NH2 3.4Å; D207-R209 IonicContact OD2-CZ 3.8Å; D207-R209 IonicContact OD2-NE 2.66Å; D207-R209 PolarHBondContact OD2-NE 3.25Å; D207-R209 IonicContact OD2-NH2 2.91Å; D207-R209 PolarHBondContact OD2-NH2 3.48Å; D207-D210 WeakPolarHBondContact CB-OD1 3.41Å; D207-G211 CarbonylContact O-C 3.58Å; D207-G211 WeakPolarHBondContact O-CA 3.24Å; D207-G211 PolarHBondContact O-N 2.86Å; D207-K212 HydrophobicContact CB-CB 4.26Å; D207-K212 PolarHBondContact N-O 3.27Å; D207-K212 PolarHBondContact O-N 3.45Å
208	K	87.9	Confident	90.8	Very high	68 Å²	68	48.2 Å²	48.2	30%	0.296	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.4	-179.6	-65.6	-178	153.3	-147.6	0	112.7	T62 I63 R600 E680	T62-K208 HydrophobicContact CG2-CD 3.76Å; T62-K208 HydrophobicContact CG2-CG 3.91Å; I63-K208 WeakPolarHBondContact O-CB 3.18Å; I63-K208 PolarHBondContact O-N 3.05Å; K208-R600 PolarHBondContact O-NH1 2.9Å; K208-E680 VanDerWaalsContact CD-OE1 3.25Å; K208-E680 WeakPolarHBondContact CD-OE1 3.13Å; K208-E680 IonicContact NZ-OE1 3.58Å; K208-E680 PolarHBondContact NZ-OE1 2.84Å; K208-E680 IonicContact NZ-OE2 3.24Å; K208-E680 PolarHBondContact NZ-OE2 2.83Å
209	R	82.4	Confident	90.9	Very high	68 Å²	68	54.8 Å²	54.8	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-41.3	178.5	-57.1	173.1	-63.4	178	5.3	111.1	H64 N67 F182 D207	H64-R209 WeakPolarHBondContact O-CG 3.26Å; N67-R209 PolarHBondContact OD1-NH1 3.01Å; N67-R209 VanDerWaalsContact OD1-NH1 3.09Å; F182-R209 PolarHBondContact O-NH1 2.85Å; F182-R209 PolarHBondContact O-NH2 2.83Å; D207-R209 PolarHBondContact O-N 3.2Å; D207-R209 WeakPolarHBondContact OD1-CB 3.26Å; D207-R209 VanDerWaalsContact OD1-CG 3.32Å; D207-R209 WeakPolarHBondContact OD1-CG 3.43Å; D207-R209 IonicContact OD1-CZ 3.88Å; D207-R209 PolarHBondContact OD1-N 3.46Å; D207-R209 IonicContact OD1-NE 2.71Å; D207-R209 PolarHBondContact OD1-NE 2.81Å; D207-R209 IonicContact OD1-NH2 3.4Å; D207-R209 IonicContact OD2-CZ 3.8Å; D207-R209 IonicContact OD2-NE 2.66Å; D207-R209 PolarHBondContact OD2-NE 3.25Å; D207-R209 IonicContact OD2-NH2 2.91Å; D207-R209 PolarHBondContact OD2-NH2 3.48Å
210	D	79.9	Confident	91.1	Very high	93 Å²	93	53.8 Å²	53.8	50%	0.497	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-2.9	-177.5	68.8	-0.6	0	0	0	114.6	D207 K212	D207-D210 WeakPolarHBondContact CB-OD1 3.41Å; D210-K212 VanDerWaalsContact OD1-CB 3.28Å; D210-K212 WeakPolarHBondContact OD1-CB 3.5Å; D210-K212 PolarHBondContact OD1-N 3.43Å
211	G	80	Confident	91.4	Very high	54 Å²	54	52.6 Å²	52.6	56%	0.557	27%	0.268	S	S	*	.			trans	82.2	10.4	178.2	0	0	0	0	0	114.3	D207	D207-G211 CarbonylContact O-C 3.58Å; D207-G211 WeakPolarHBondContact O-CA 3.24Å; D207-G211 PolarHBondContact O-N 2.86Å
212	K	86.8	Confident	91.5	Very high	65 Å²	65	52.1 Å²	52.1	28%	0.283	27%	0.265	S	S	.	.			trans	-70.6	137.4	179.5	-164.4	178.3	177.5	-159.8	0	111	Y184 E185 D207 D210	Y184-K212 HydrophobicContact CD1-CD 3.61Å; Y184-K212 HydrophobicContact CD2-CB 4.5Å; Y184-K212 HydrophobicContact CD2-CD 4.3Å; Y184-K212 HydrophobicContact CE1-CD 3.45Å; Y184-K212 VanDerWaalsContact CE1-CD 3.45Å; Y184-K212 HydrophobicContact CE1-CG 3.98Å; Y184-K212 HydrophobicContact CE2-CB 4.06Å; Y184-K212 HydrophobicContact CE2-CD 4.1Å; Y184-K212 HydrophobicContact CE2-CG 4.03Å; Y184-K212 HydrophobicContact CG-CD 4.02Å; E185-K212 IonicContact OE1-NZ 2.85Å; E185-K212 PolarHBondContact OE1-NZ 2.71Å; E185-K212 IonicContact OE2-NZ 4Å; E185-K212 PolarHBondContact OE2-NZ 2.8Å; E185-K212 VanDerWaalsContact OE2-NZ 3.15Å; D207-K212 HydrophobicContact CB-CB 4.26Å; D207-K212 PolarHBondContact N-O 3.27Å; D207-K212 PolarHBondContact O-N 3.45Å; D210-K212 VanDerWaalsContact OD1-CB 3.28Å; D210-K212 WeakPolarHBondContact OD1-CB 3.5Å; D210-K212 PolarHBondContact OD1-N 3.43Å
213	E	93.9	Very high	91.5	Very high	96 Å²	96	55.5 Å²	55.5	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139	174.9	-178.7	169.8	-163.7	0	0	110.9	Y184 L205 R206	Y184-E213 VanDerWaalsContact OH-C 3.26Å; L205-E213 CarbonylContact O-C 3.51Å; L205-E213 VanDerWaalsContact O-CA 3.25Å; L205-E213 WeakPolarHBondContact O-CA 3.49Å; R206-E213 HydrophobicContact CG-CB 4.41Å; R206-E213 HydrophobicContact CG-CG 3.85Å; R206-E213 IonicContact CZ-OE1 2.72Å; R206-E213 IonicContact NE-OE1 3.84Å; R206-E213 PolarHBondContact NE-OE1 3.05Å; R206-E213 IonicContact NE-OE2 3.83Å; R206-E213 IonicContact NH2-OE1 3.27Å; R206-E213 PolarHBondContact NH2-OE1 3.44Å
214	D	93.6	Very high	91.3	Very high	45 Å²	45	56.1 Å²	56.1	24%	0.241	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141.2	168.9	-80.1	-66.4	0	0	0	109.8	Y184 R204 L205 F216	Y184-D214 WeakPolarHBondContact CE1-OD2 3.27Å; Y184-D214 WeakPolarHBondContact OH-CB 3.49Å; Y184-D214 VanDerWaalsContact OH-CG 3.26Å; Y184-D214 PolarHBondContact OH-N 2.7Å; Y184-D214 PolarHBondContact OH-OD2 3.12Å; R204-D214 WeakPolarHBondContact CA-O 3.03Å; L205-D214 PolarHBondContact N-O 3.15Å; L205-D214 PolarHBondContact O-N 3.41Å; D214-F216 HydrophobicContact CB-CE1 3.73Å; D214-F216 HydrophobicContact CB-CE2 3.84Å; D214-F216 HydrophobicContact CB-CZ 3.32Å
215	H	96.2	Very high	91.2	Very high	87 Å²	87	53.2 Å²	53.2	40%	0.403	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	114	173.5	-178.7	-158.4	0	0	0	109.4	S202 R204	S202-H215 PolarHBondContact OG-NE2 2.83Å; R204-H215 PolarHBondContact NH1-ND1 3.14Å; R204-H215 PolarHBondContact NH2-CE1 2.98Å
216	F	94.1	Very high	91.1	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	109.8	178.5	-47.2	-64.1	0	0	0	109.8	A188 L191 R192 S195 I203 L205 D214 Y218	A188-F216 HydrophobicContact CB-CZ 4.06Å; A188-F216 WeakPolarHBondContact O-CZ 3.26Å; L191-F216 HydrophobicContact CB-CD2 3.81Å; L191-F216 HydrophobicContact CB-CE2 3.83Å; R192-F216 HydrophobicContact CB-CD1 3.91Å; R192-F216 HydrophobicContact CB-CE1 3.97Å; R192-F216 HydrophobicContact CB-CG 4.26Å; R192-F216 HydrophobicContact CB-CZ 4.35Å; R192-F216 HydrophobicContact CG-CD1 3.93Å; R192-F216 HydrophobicContact CG-CE1 4.19Å; R192-F216 VanDerWaalsContact CZ-CE1 3.47Å; S195-F216 WeakPolarHBondContact OG-CB 3.42Å; I203-F216 HydrophobicContact CB-CB 4.48Å; I203-F216 PolarHBondContact N-O 3.41Å; I203-F216 PolarHBondContact O-N 3.46Å; L205-F216 HydrophobicContact CB-CE2 4.32Å; D214-F216 HydrophobicContact CB-CE1 3.73Å; D214-F216 HydrophobicContact CB-CE2 3.84Å; D214-F216 HydrophobicContact CB-CZ 3.32Å; F216-Y218 HydrophobicContact CB-CE2 4.07Å; F216-Y218 HydrophobicContact CD1-CE2 4.3Å
217	H	93.6	Very high	90.9	Very high	86 Å²	86	53.7 Å²	53.7	40%	0.398	28%	0.278	S	S	.	.			trans	-145.2	99	175.8	-176.1	58.3	0	0	0	108.2	G200 V201	G200-H217 PolarHBondContact O-CE1 3.43Å; V201-H217 PolarHBondContact O-ND1 3.12Å
218	Y	90.8	Very high	90.8	Very high	57 Å²	57	55.2 Å²	55.2	22%	0.224	28%	0.284	C	S	.	.			trans	-115.7	132.3	-176.2	-61.1	-77.2	0	0	0	110.4	R192 S195 F196 G200 F216	R192-Y218 HydrophobicContact CG-CE2 3.87Å; R192-Y218 PolarHBondContact NH1-OH 3.37Å; S195-Y218 WeakPolarHBondContact OG-CD2 3.41Å; F196-Y218 HydrophobicContact CD1-CD1 4.39Å; F196-Y218 HydrophobicContact CD1-CD2 4.06Å; F196-Y218 AromaticContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD2-CD2 4.09Å; F196-Y218 HydrophobicContact CD2-CE2 4.3Å; F196-Y218 AromaticContact CE1-CD1 3.5Å; F196-Y218 HydrophobicContact CE1-CD1 3.5Å; F196-Y218 AromaticContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CE1 4.08Å; F196-Y218 HydrophobicContact CE1-CE2 4.33Å; F196-Y218 AromaticContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE2-CD1 4.48Å; F196-Y218 AromaticContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CE1 4.39Å; F196-Y218 AromaticContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CG 4.21Å; F196-Y218 HydrophobicContact CG-CD2 4.19Å; F196-Y218 HydrophobicContact CG-CG 4.39Å; F196-Y218 AromaticContact CZ-CD1 3.55Å; F196-Y218 HydrophobicContact CZ-CD1 3.55Å; F196-Y218 AromaticContact CZ-CD2 3.64Å; F196-Y218 HydrophobicContact CZ-CD2 3.64Å; F196-Y218 AromaticContact CZ-CE1 3.61Å; F196-Y218 HydrophobicContact CZ-CE1 3.61Å; F196-Y218 AromaticContact CZ-CE2 3.72Å; F196-Y218 HydrophobicContact CZ-CE2 3.72Å; F196-Y218 AromaticContact CZ-CG 3.56Å; F196-Y218 HydrophobicContact CZ-CG 3.56Å; F196-Y218 AromaticContact CZ-CZ 3.7Å; G200-Y218 PolarHBondContact N-O 3.02Å; G200-Y218 VanDerWaalsContact N-O 3.1Å; F216-Y218 HydrophobicContact CB-CE2 4.07Å; F216-Y218 HydrophobicContact CD1-CE2 4.3Å
219	E	90.2	Very high	91	Very high	149 Å²	149	52.2 Å²	52.2	70%	0.696	27%	0.271	S	S	*	.	S	Bend	trans	-100.1	151.3	169.1	-63.4	-171.5	164.8	0	0	109.7	A224	E219-A224 WeakPolarHBondContact O-CB 3.43Å
220	G	89.2	Confident	91.3	Very high	46 Å²	46	49.2 Å²	49.2	47%	0.474	26%	0.26	S	S	.	.	S	Bend	trans	96.4	5.4	178.5	0	0	0	0	0	114.8	S199 K223 A224	S199-G220 PolarHBondContact OG-N 3.15Å; G220-K223 WeakPolarHBondContact O-CB 3.41Å; G220-K223 PolarHBondContact O-N 2.96Å; G220-A224 PolarHBondContact O-N 3.35Å
221	G	91.5	Very high	91.6	Very high	9 Å²	9	52.2 Å²	52.2	9%	0.093	27%	0.269	C	S	.	.	H	α-helix	trans	60	-143	170.1	0	0	0	0	0	114.2	F196 K223 A224 F225	F196-G221 CarbonylContact O-C 3.55Å; F196-G221 VanDerWaalsContact O-C 3.24Å; F196-G221 WeakPolarHBondContact O-CA 3.49Å; G221-K223 PolarHBondContact O-N 3.41Å; G221-A224 PolarHBondContact O-N 2.74Å; G221-F225 PolarHBondContact O-N 2.89Å
222	I	93.8	Very high	91.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.3	-18.5	-179.7	67.3	168.1	0	0	0	113.6	L197 F225 V226 Y242 E253 A255 V322	L197-I222 HydrophobicContact CD2-CG2 3.91Å; I222-F225 WeakPolarHBondContact O-CB 3.46Å; I222-F225 PolarHBondContact O-N 2.72Å; I222-V226 PolarHBondContact O-N 3.29Å; I222-Y242 HydrophobicContact CG1-CD2 4.33Å; I222-Y242 HydrophobicContact CG1-CE2 4.07Å; I222-E253 VanDerWaalsContact CD1-C 3.49Å; I222-E253 HydrophobicContact CD1-CB 3.94Å; I222-E253 HydrophobicContact CD1-CG 3.5Å; I222-E253 VanDerWaalsContact CD1-CG 3.5Å; I222-E253 WeakPolarHBondContact CD1-O 3.44Å; I222-E253 HydrophobicContact CG1-CG 3.96Å; I222-A255 HydrophobicContact CB-CB 4.47Å; I222-A255 HydrophobicContact CD1-CB 4.01Å; I222-A255 HydrophobicContact CG1-CB 3.85Å; I222-V322 HydrophobicContact CB-CB 4.19Å; I222-V322 HydrophobicContact CB-CG1 3.82Å; I222-V322 HydrophobicContact CD1-CG1 4.36Å; I222-V322 HydrophobicContact CG2-CG1 3.79Å
223	K	94.6	Very high	91.6	Very high	85 Å²	85	49.5 Å²	49.5	37%	0.37	24%	0.243	S	C	.	.	H	α-helix	trans	-65.8	-48.2	172.5	-177	-177.2	174.1	-178.2	0	110.4	G220 G221 F225 V226 E227 I240 Y242	G220-K223 WeakPolarHBondContact O-CB 3.41Å; G220-K223 PolarHBondContact O-N 2.96Å; G221-K223 PolarHBondContact O-N 3.41Å; K223-F225 PolarHBondContact O-N 3.01Å; K223-V226 PolarHBondContact O-N 3.1Å; K223-V226 VanDerWaalsContact O-N 3.16Å; K223-E227 PolarHBondContact O-N 2.86Å; K223-E227 VanDerWaalsContact O-N 3.11Å; K223-I240 HydrophobicContact CG-CB 4.28Å; K223-I240 HydrophobicContact CG-CD1 4.22Å; K223-I240 HydrophobicContact CG-CG2 4Å; K223-Y242 HydrophobicContact CB-CD2 4.16Å; K223-Y242 HydrophobicContact CB-CG 4.43Å
224	A	94	Very high	91.4	Very high	13 Å²	13	49 Å²	49	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-29.1	173	0	0	0	0	0	111.9	F196 E219 G220 G221 E227 Y228	F196-A224 HydrophobicContact CD1-CB 4.18Å; F196-A224 HydrophobicContact CE1-CB 4.03Å; F196-A224 WeakPolarHBondContact CE1-O 3.44Å; E219-A224 WeakPolarHBondContact O-CB 3.43Å; G220-A224 PolarHBondContact O-N 3.35Å; G221-A224 PolarHBondContact O-N 2.74Å; A224-E227 WeakPolarHBondContact O-CB 3.45Å; A224-E227 PolarHBondContact O-N 2.57Å; A224-Y228 WeakPolarHBondContact O-CB 3.42Å; A224-Y228 PolarHBondContact O-N 3.05Å
225	F	94.6	Very high	91.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-44.2	173.7	-160.7	-177.1	0	0	0	112	E193 F196 G221 I222 K223 E227 Y228 L229 F269 V322 I771	E193-F225 HydrophobicContact CG-CE1 4.41Å; E193-F225 HydrophobicContact CG-CZ 3.95Å; F196-F225 HydrophobicContact CB-CB 3.76Å; F196-F225 HydrophobicContact CB-CD1 3.85Å; F196-F225 HydrophobicContact CB-CD2 4.41Å; F196-F225 HydrophobicContact CB-CG 3.76Å; F196-F225 HydrophobicContact CD1-CB 3.7Å; F196-F225 HydrophobicContact CD1-CD2 4.47Å; F196-F225 HydrophobicContact CD1-CG 4.21Å; F196-F225 HydrophobicContact CD2-CB 4.11Å; F196-F225 HydrophobicContact CD2-CD1 4.3Å; F196-F225 AromaticContact CD2-CD2 3.43Å; F196-F225 HydrophobicContact CD2-CD2 3.43Å; F196-F225 VanDerWaalsContact CD2-CD2 3.43Å; F196-F225 AromaticContact CD2-CE2 3.91Å; F196-F225 HydrophobicContact CD2-CE2 3.91Å; F196-F225 AromaticContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CE1-CB 4.31Å; F196-F225 AromaticContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CE2 4.19Å; F196-F225 HydrophobicContact CE2-CG 4.33Å; F196-F225 HydrophobicContact CG-CB 3.6Å; F196-F225 HydrophobicContact CG-CD1 4.2Å; F196-F225 AromaticContact CG-CD2 3.87Å; F196-F225 HydrophobicContact CG-CD2 3.87Å; F196-F225 AromaticContact CG-CG 3.63Å; F196-F225 HydrophobicContact CG-CG 3.63Å; F196-F225 HydrophobicContact CZ-CD2 4.35Å; G221-F225 PolarHBondContact O-N 2.89Å; I222-F225 WeakPolarHBondContact O-CB 3.46Å; I222-F225 PolarHBondContact O-N 2.72Å; K223-F225 PolarHBondContact O-N 3.01Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 3.1Å; F225-Y228 HydrophobicContact CD2-CD1 4.26Å; F225-Y228 HydrophobicContact CE2-CD1 4.32Å; F225-Y228 WeakPolarHBondContact O-CB 3.08Å; F225-Y228 PolarHBondContact O-N 3.1Å; F225-L229 HydrophobicContact CD2-CD1 3.87Å; F225-L229 HydrophobicContact CD2-CD2 4.41Å; F225-L229 HydrophobicContact CD2-CG 3.82Å; F225-L229 HydrophobicContact CE2-CD1 3.87Å; F225-L229 HydrophobicContact CE2-CD2 3.88Å; F225-L229 HydrophobicContact CE2-CG 3.78Å; F225-L229 HydrophobicContact CG-CD1 4.33Å; F225-L229 HydrophobicContact CZ-CD1 4.35Å; F225-L229 WeakPolarHBondContact O-CB 3.25Å; F225-L229 WeakPolarHBondContact O-CG 3.41Å; F225-L229 PolarHBondContact O-N 2.9Å; F225-F269 AromaticContact CE1-CE2 3.93Å; F225-F269 HydrophobicContact CE1-CE2 3.93Å; F225-F269 AromaticContact CE1-CZ 3.85Å; F225-F269 HydrophobicContact CE1-CZ 3.85Å; F225-V322 HydrophobicContact CB-CG2 4.33Å; F225-V322 HydrophobicContact CD1-CG1 4.2Å; F225-V322 HydrophobicContact CD1-CG2 3.83Å; F225-V322 HydrophobicContact CE1-CG2 4.35Å; F225-V322 HydrophobicContact CG-CG2 4.15Å; F225-I771 HydrophobicContact CE2-CD1 4.45Å; F225-I771 HydrophobicContact CZ-CD1 4.16Å
226	V	95.2	Very high	91.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-39.6	174.2	172.1	0	0	0	0	111.3	I222 K223 L229 N230 I240 A255 Q257 I320 V322	I222-V226 PolarHBondContact O-N 3.29Å; K223-V226 PolarHBondContact O-N 3.1Å; K223-V226 VanDerWaalsContact O-N 3.16Å; V226-L229 PolarHBondContact O-N 3.48Å; V226-N230 WeakPolarHBondContact O-CB 3.33Å; V226-N230 PolarHBondContact O-N 3.21Å; V226-I240 HydrophobicContact CG1-CD1 4.36Å; V226-I240 HydrophobicContact CG1-CG2 4.31Å; V226-A255 HydrophobicContact CB-CB 4.42Å; V226-A255 HydrophobicContact CG2-CB 3.62Å; V226-Q257 HydrophobicContact CG1-CB 3.78Å; V226-I320 HydrophobicContact CG1-CG2 4.32Å; V226-V322 HydrophobicContact CG2-CB 4.3Å; V226-V322 HydrophobicContact CG2-CG2 3.85Å
227	E	93.4	Very high	91.3	Very high	102 Å²	102	47.5 Å²	47.5	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-59.2	-47.3	173.3	-68.1	173.2	-174.3	0	0	111.4	K223 A224 F225 L229 N230 K231 I240	K223-E227 PolarHBondContact O-N 2.86Å; K223-E227 VanDerWaalsContact O-N 3.11Å; A224-E227 WeakPolarHBondContact O-CB 3.45Å; A224-E227 PolarHBondContact O-N 2.57Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 3.1Å; E227-L229 PolarHBondContact O-N 3.27Å; E227-N230 CarbonylContact O-C 3.52Å; E227-N230 PolarHBondContact O-N 3.09Å; E227-N230 VanDerWaalsContact O-N 3.17Å; E227-K231 PolarHBondContact O-N 2.92Å; E227-I240 HydrophobicContact CB-CD1 4.44Å; E227-I240 HydrophobicContact CG-CD1 3.2Å
228	Y	91.8	Very high	91.2	Very high	35 Å²	35	48 Å²	48	14%	0.137	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-42.3	177.1	174.9	-99.1	0	0	0	112.5	R192 F196 A224 F225 N230 K231 I771 Q775	R192-Y228 VanDerWaalsContact CD-CZ 3.48Å; R192-Y228 WeakPolarHBondContact CD-OH 3.47Å; R192-Y228 PolarHBondContact NE-OH 2.92Å; R192-Y228 PolarHBondContact NH1-OH 2.96Å; F196-Y228 AromaticContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CE1 4.43Å; F196-Y228 AromaticContact CE2-CG 3.9Å; F196-Y228 HydrophobicContact CE2-CG 3.9Å; F196-Y228 VanDerWaalsContact CZ-CB 3.46Å; F196-Y228 HydrophobicContact CZ-CD1 4.04Å; F196-Y228 HydrophobicContact CZ-CD2 4.16Å; F196-Y228 AromaticContact CZ-CG 3.62Å; F196-Y228 HydrophobicContact CZ-CG 3.62Å; A224-Y228 WeakPolarHBondContact O-CB 3.42Å; A224-Y228 PolarHBondContact O-N 3.05Å; F225-Y228 HydrophobicContact CD2-CD1 4.26Å; F225-Y228 HydrophobicContact CE2-CD1 4.32Å; F225-Y228 WeakPolarHBondContact O-CB 3.08Å; F225-Y228 PolarHBondContact O-N 3.1Å; Y228-N230 VanDerWaalsContact C-N 3.27Å; Y228-N230 PolarHBondContact O-N 3.5Å; Y228-K231 VanDerWaalsContact O-CB 3.25Å; Y228-K231 WeakPolarHBondContact O-CB 3.3Å; Y228-K231 PolarHBondContact O-N 3.23Å; Y228-I771 HydrophobicContact CE1-CG2 4.25Å; Y228-Q775 PolarHBondContact O-NE2 2.88Å; Y228-Q775 PolarHBondContact OH-NE2 3.19Å; Y228-Q775 PolarHBondContact OH-OE1 3.01Å
229	L	91.1	Very high	91.3	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-27.5	176.7	-68.9	168.4	0	0	0	112.4	F225 V226 E227 Y267 I320 V322 I771	F225-L229 HydrophobicContact CD2-CD1 3.87Å; F225-L229 HydrophobicContact CD2-CD2 4.41Å; F225-L229 HydrophobicContact CD2-CG 3.82Å; F225-L229 HydrophobicContact CE2-CD1 3.87Å; F225-L229 HydrophobicContact CE2-CD2 3.88Å; F225-L229 HydrophobicContact CE2-CG 3.78Å; F225-L229 HydrophobicContact CG-CD1 4.33Å; F225-L229 HydrophobicContact CZ-CD1 4.35Å; F225-L229 WeakPolarHBondContact O-CB 3.25Å; F225-L229 WeakPolarHBondContact O-CG 3.41Å; F225-L229 PolarHBondContact O-N 2.9Å; V226-L229 PolarHBondContact O-N 3.48Å; E227-L229 PolarHBondContact O-N 3.27Å; L229-Y267 HydrophobicContact CD1-CD2 3.59Å; L229-Y267 HydrophobicContact CD1-CE2 3.51Å; L229-Y267 HydrophobicContact CD2-CE2 3.82Å; L229-Y267 HydrophobicContact CG-CE2 4.26Å; L229-I320 HydrophobicContact CB-CD1 4.03Å; L229-I320 HydrophobicContact CB-CG2 3.75Å; L229-I320 HydrophobicContact CD1-CG2 3.83Å; L229-I320 HydrophobicContact CG-CG2 4.45Å; L229-I320 WeakPolarHBondContact O-CD1 3.5Å; L229-V322 HydrophobicContact CD1-CG2 3.95Å; L229-I771 HydrophobicContact CD2-CD1 4.39Å; L229-I771 HydrophobicContact CD2-CG1 4.29Å; L229-I771 HydrophobicContact CD2-CG2 3.87Å
230	N	89.9	Confident	91.6	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-87.9	-3.5	174.3	-87.4	-40.9	0	0	0	114.1	V226 E227 Y228 N232 K233 P235 Q257 N259 I320	V226-N230 WeakPolarHBondContact O-CB 3.33Å; V226-N230 PolarHBondContact O-N 3.21Å; E227-N230 CarbonylContact O-C 3.52Å; E227-N230 PolarHBondContact O-N 3.09Å; E227-N230 VanDerWaalsContact O-N 3.17Å; Y228-N230 VanDerWaalsContact C-N 3.27Å; Y228-N230 PolarHBondContact O-N 3.5Å; N230-N232 PolarHBondContact O-N 2.99Å; N230-K233 PolarHBondContact O-N 3.42Å; N230-P235 HydrophobicContact CB-CG 4.46Å; N230-Q257 PolarHBondContact ND2-OE1 2.92Å; N230-N259 PolarHBondContact OD1-ND2 3.19Å; N230-I320 WeakPolarHBondContact OD1-CD1 2.9Å
231	K	86.3	Confident	91.9	Very high	156 Å²	156	40.6 Å²	40.6	68%	0.678	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-35.9	-172.5	-175.5	178.7	178.1	-177.6	0	114.9	E227 Y228	E227-K231 PolarHBondContact O-N 2.92Å; Y228-K231 VanDerWaalsContact O-CB 3.25Å; Y228-K231 WeakPolarHBondContact O-CB 3.3Å; Y228-K231 PolarHBondContact O-N 3.23Å
232	N	81.8	Confident	92.2	Very high	30 Å²	30	45 Å²	45	16%	0.16	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	7.5	-178.7	-60.8	-22.8	0	0	0	113.5	N230 Q775 T778 T779	N230-N232 PolarHBondContact O-N 2.99Å; N232-Q775 PolarHBondContact ND2-O 3.46Å; N232-T778 HydrophobicContact CB-CG2 3.67Å; N232-T778 WeakPolarHBondContact O-CG2 3.39Å; N232-T779 PolarHBondContact ND2-OG1 3.5Å
233	K	84.5	Confident	92.3	Very high	32 Å²	32	45.7 Å²	45.7	14%	0.139	23%	0.23	C	C	.	.	S	Bend	trans	-116	162.2	179.9	-63	174.6	-174.6	171.8	0	108.7	N230 P235 N259 N265 I320 D774 T778	N230-K233 PolarHBondContact O-N 3.42Å; K233-P235 VanDerWaalsContact O-CD 3.28Å; K233-P235 WeakPolarHBondContact O-CD 3.32Å; K233-N259 HydrophobicContact CB-CB 3.92Å; K233-N259 WeakPolarHBondContact CD-ND2 3.46Å; K233-N265 PolarHBondContact NZ-ND2 3.01Å; K233-I320 HydrophobicContact CD-CD1 3.95Å; K233-D774 IonicContact NZ-OD1 3.51Å; K233-D774 PolarHBondContact NZ-OD1 3.05Å; K233-D774 IonicContact NZ-OD2 2.77Å; K233-D774 PolarHBondContact NZ-OD2 3.33Å; K233-T778 HydrophobicContact CG-CG2 4.04Å
234	T	89.1	Confident	92.3	Very high	84 Å²	84	45.3 Å²	45.3	52%	0.515	24%	0.238	S	C	.	.			trans	-100	108	178.3	-39.2	0	0	0	0	109.4	I236 N259 D260	T234-I236 PolarHBondContact O-N 3.48Å; T234-N259 CarbonylContact O-C 3.49Å; T234-N259 WeakPolarHBondContact O-CA 3.29Å; T234-N259 VanDerWaalsContact O-CB 3.29Å; T234-N259 WeakPolarHBondContact O-CB 3.34Å; T234-D260 VanDerWaalsContact CB-CG 3.42Å; T234-D260 WeakPolarHBondContact CB-OD2 3.44Å; T234-D260 PolarHBondContact N-OD1 2.86Å; T234-D260 PolarHBondContact O-N 2.88Å; T234-D260 PolarHBondContact OG1-OD2 3.13Å
235	P	93.5	Very high	92.4	Very high	55 Å²	55	46.6 Å²	46.6	36%	0.357	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-57	134.2	170.4	-24.2	34.9	0	0	0	110.9	N230 K233 Q257	N230-P235 HydrophobicContact CB-CG 4.46Å; K233-P235 VanDerWaalsContact O-CD 3.28Å; K233-P235 WeakPolarHBondContact O-CD 3.32Å; P235-Q257 HydrophobicContact CB-CG 4.37Å
236	I	94.3	Very high	92.2	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.226	28%	0.276	C	S	.	.	S	Bend	trans	-84.6	-18.4	178.7	66.7	-175.9	0	0	0	112.1	T234 W258 D260 I370 K374	T234-I236 PolarHBondContact O-N 3.48Å; I236-W258 HydrophobicContact CD1-CB 3.56Å; I236-W258 HydrophobicContact CD1-CG 4.44Å; I236-W258 HydrophobicContact CG1-CB 3.92Å; I236-W258 PolarHBondContact N-O 3.2Å; I236-W258 VanDerWaalsContact N-O 3.12Å; I236-D260 HydrophobicContact CG2-CB 4.21Å; I236-I370 HydrophobicContact CB-CG2 3.89Å; I236-I370 HydrophobicContact CD1-CG2 3.95Å; I236-I370 HydrophobicContact CG1-CG2 3.79Å; I236-I370 WeakPolarHBondContact O-CG2 3.48Å; I236-K374 HydrophobicContact CD1-CB 4.03Å; I236-K374 HydrophobicContact CD1-CD 3.5Å; I236-K374 VanDerWaalsContact CD1-CD 3.5Å; I236-K374 HydrophobicContact CD1-CG 4.38Å
237	H	94	Very high	92	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.019	29%	0.288	C	S	.	.	S	Bend	trans	-138.4	148.3	-179.4	69.6	79.2	0	0	0	109.7	N239 Q257 W258 D367	H237-N239 PolarHBondContact CE1-O 2.86Å; H237-N239 PolarHBondContact ND1-O 2.86Å; H237-N239 VanDerWaalsContact ND1-O 3.11Å; H237-Q257 PolarHBondContact O-NE2 3.11Å; H237-W258 AromaticContact NE2-CE3 3.6Å; H237-W258 PolarHBondContact NE2-N 2.86Å; H237-D367 HydrophobicContact CB-CB 4.07Å; H237-D367 IonicContact ND1-OD2 3.3Å
238	P	91.5	Very high	91.7	Very high	95 Å²	95	57.3 Å²	57.3	62%	0.617	30%	0.298	S	S	*	.	S	Bend	trans	-77.4	-33.8	-170.3	28.8	-34.3	0	0	0	113.7
239	N	93.5	Very high	91.5	Very high	72 Å²	72	57.3 Å²	57.3	39%	0.385	31%	0.309	S	S	.	.			trans	-95.9	112.6	-168.8	-52.1	-63.3	0	0	0	111.7	H237 F241 Y360 D367	H237-N239 PolarHBondContact CE1-O 2.86Å; H237-N239 PolarHBondContact ND1-O 2.86Å; H237-N239 VanDerWaalsContact ND1-O 3.11Å; N239-F241 PolarHBondContact O-N 2.86Å; N239-Y360 PolarHBondContact O-OH 3.46Å; N239-D367 WeakPolarHBondContact CB-OD2 3.18Å; N239-D367 PolarHBondContact N-OD2 2.91Å; N239-D367 PolarHBondContact ND2-OD2 3.32Å
240	I	95.6	Very high	91.5	Very high	19 Å²	19	57.6 Å²	57.6	10%	0.097	31%	0.31	C	S	.	.			trans	-63.2	125.1	170.3	-60.9	177.3	0	0	0	109.2	K223 V226 E227 Y242 A255 Q257	K223-I240 HydrophobicContact CG-CB 4.28Å; K223-I240 HydrophobicContact CG-CD1 4.22Å; K223-I240 HydrophobicContact CG-CG2 4Å; V226-I240 HydrophobicContact CG1-CD1 4.36Å; V226-I240 HydrophobicContact CG1-CG2 4.31Å; E227-I240 HydrophobicContact CB-CD1 4.44Å; E227-I240 HydrophobicContact CG-CD1 3.2Å; I240-Y242 PolarHBondContact O-N 3.37Å; I240-A255 HydrophobicContact CG2-CB 4.42Å; I240-Q257 HydrophobicContact CG1-CB 4.15Å; I240-Q257 HydrophobicContact CG1-CG 4.25Å
241	F	96.8	Very high	91.7	Very high	6 Å²	6	58.2 Å²	58.2	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	123.8	170.3	171.2	-95.6	0	0	0	108.5	N239 F243 A255 L256 M353 L356 L357 Y360	N239-F241 PolarHBondContact O-N 2.86Å; F241-F243 HydrophobicContact CD1-CD1 4.5Å; F241-F243 AromaticContact CE1-CD1 3.42Å; F241-F243 HydrophobicContact CE1-CD1 3.42Å; F241-F243 VanDerWaalsContact CE1-CD1 3.42Å; F241-F243 AromaticContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE2-CD1 4.43Å; F241-F243 AromaticContact CZ-CD1 3.4Å; F241-F243 HydrophobicContact CZ-CD1 3.4Å; F241-F243 AromaticContact CZ-CE1 3.72Å; F241-F243 HydrophobicContact CZ-CE1 3.72Å; F241-A255 CarbonylContact O-C 3.42Å; F241-A255 VanDerWaalsContact O-CA 3.28Å; F241-A255 WeakPolarHBondContact O-CA 3.38Å; F241-L256 HydrophobicContact CB-CD1 3.97Å; F241-L256 HydrophobicContact CB-CG 3.98Å; F241-L256 HydrophobicContact CD1-CD1 4.3Å; F241-L256 HydrophobicContact CD1-CD2 3.54Å; F241-L256 HydrophobicContact CD1-CG 3.65Å; F241-L256 HydrophobicContact CE1-CD2 4.08Å; F241-L256 HydrophobicContact CG-CD1 4.46Å; F241-L256 HydrophobicContact CG-CD2 4.43Å; F241-L256 HydrophobicContact CG-CG 4.21Å; F241-L256 PolarHBondContact N-O 3.19Å; F241-L256 PolarHBondContact O-N 2.96Å; F241-M353 HydrophobicContact CD1-CE 4.05Å; F241-M353 HydrophobicContact CE1-CE 3.16Å; F241-M353 HydrophobicContact CE1-SD 4.18Å; F241-M353 HydrophobicContact CZ-CE 3.54Å; F241-L356 WeakPolarHBondContact CE2-O 3.13Å; F241-L356 HydrophobicContact CZ-CB 4.31Å; F241-L357 HydrophobicContact CD2-CD1 4.17Å; F241-L357 HydrophobicContact CE1-CD1 4.49Å; F241-L357 HydrophobicContact CE2-CB 4.37Å; F241-L357 HydrophobicContact CE2-CD1 4.08Å; F241-L357 HydrophobicContact CG-CD1 4.38Å; F241-L357 HydrophobicContact CZ-CB 4.1Å; F241-L357 HydrophobicContact CZ-CD1 4.21Å; F241-Y360 HydrophobicContact CB-CD1 4.42Å; F241-Y360 HydrophobicContact CB-CD2 4.39Å; F241-Y360 HydrophobicContact CB-CE1 4.23Å; F241-Y360 HydrophobicContact CB-CE2 4.18Å; F241-Y360 VanDerWaalsContact CD2-CB 3.48Å; F241-Y360 AromaticContact CD2-CD1 3.75Å; F241-Y360 HydrophobicContact CD2-CD1 3.75Å; F241-Y360 AromaticContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CE1 4.38Å; F241-Y360 HydrophobicContact CD2-CE2 4.3Å; F241-Y360 AromaticContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CE2-CD1 4.49Å; F241-Y360 AromaticContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CG-CD1 4.45Å; F241-Y360 HydrophobicContact CG-CG 4.36Å
242	Y	96.7	Very high	92.1	Very high	102 Å²	102	50.9 Å²	50.9	40%	0.4	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	137.7	-178	166.9	-99.1	0	0	0	110.5	I222 K223 I240 E253 V254 A255	I222-Y242 HydrophobicContact CG1-CD2 4.33Å; I222-Y242 HydrophobicContact CG1-CE2 4.07Å; K223-Y242 HydrophobicContact CB-CD2 4.16Å; K223-Y242 HydrophobicContact CB-CG 4.43Å; I240-Y242 PolarHBondContact O-N 3.37Å; Y242-E253 HydrophobicContact CE2-CG 3.96Å; Y242-E253 PolarHBondContact OH-OE1 3.05Å; Y242-V254 VanDerWaalsContact CA-O 3.3Å; Y242-V254 WeakPolarHBondContact CA-O 3.46Å; Y242-A255 HydrophobicContact CD2-CB 4.18Å
243	F	96.3	Very high	92.8	Very high	14 Å²	14	51 Å²	51	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.6	164	70.1	-95.7	0	0	0	111.8	F241 T245 V252 E253 V254 Q352 M353 L356	F241-F243 HydrophobicContact CD1-CD1 4.5Å; F241-F243 AromaticContact CE1-CD1 3.42Å; F241-F243 HydrophobicContact CE1-CD1 3.42Å; F241-F243 VanDerWaalsContact CE1-CD1 3.42Å; F241-F243 AromaticContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE2-CD1 4.43Å; F241-F243 AromaticContact CZ-CD1 3.4Å; F241-F243 HydrophobicContact CZ-CD1 3.4Å; F241-F243 AromaticContact CZ-CE1 3.72Å; F241-F243 HydrophobicContact CZ-CE1 3.72Å; F243-T245 HydrophobicContact CD2-CG2 3.72Å; F243-T245 HydrophobicContact CE2-CG2 3.73Å; F243-V252 HydrophobicContact CE2-CB 4.38Å; F243-V252 HydrophobicContact CE2-CG1 3.8Å; F243-V252 HydrophobicContact CZ-CG1 4.18Å; F243-E253 WeakPolarHBondContact O-CA 3.32Å; F243-V254 HydrophobicContact CD1-CB 4.15Å; F243-V254 HydrophobicContact CE1-CB 3.61Å; F243-V254 HydrophobicContact CE1-CG1 4.23Å; F243-V254 HydrophobicContact CE1-CG2 4Å; F243-V254 HydrophobicContact CE2-CB 4.38Å; F243-V254 HydrophobicContact CE2-CG2 4.23Å; F243-V254 HydrophobicContact CZ-CB 3.73Å; F243-V254 HydrophobicContact CZ-CG2 3.61Å; F243-V254 PolarHBondContact N-O 2.92Å; F243-V254 PolarHBondContact O-N 3.47Å; F243-Q352 HydrophobicContact CE2-CB 4.07Å; F243-Q352 HydrophobicContact CZ-CB 4.34Å; F243-M353 HydrophobicContact CE1-CE 4.19Å; F243-M353 HydrophobicContact CE1-SD 3.81Å; F243-M353 HydrophobicContact CZ-SD 4.25Å; F243-L356 HydrophobicContact CB-CD1 3.75Å; F243-L356 HydrophobicContact CD1-CB 4.16Å; F243-L356 HydrophobicContact CD1-CD1 3.99Å; F243-L356 HydrophobicContact CD2-CD1 3.39Å; F243-L356 HydrophobicContact CE1-CD1 4.41Å; F243-L356 HydrophobicContact CE2-CD1 3.9Å; F243-L356 HydrophobicContact CG-CB 4.37Å; F243-L356 HydrophobicContact CG-CD1 3.44Å; F243-L356 VanDerWaalsContact CG-CD1 3.44Å; F243-L356 HydrophobicContact CZ-CD1 4.38Å
244	S	95	Very high	93.4	Very high	77 Å²	77	49.5 Å²	49.5	54%	0.538	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.6	170	-171.2	0	0	0	0	108.3	V252	S244-V252 WeakPolarHBondContact CA-O 3.25Å
245	T	94.6	Very high	93.9	Very high	40 Å²	40	45.5 Å²	45.5	25%	0.245	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	164	-173	-175.2	0	0	0	0	110.1	F243 G251 V252 Q352 L356	F243-T245 HydrophobicContact CD2-CG2 3.72Å; F243-T245 HydrophobicContact CE2-CG2 3.73Å; T245-G251 CarbonylContact O-C 3.59Å; T245-G251 WeakPolarHBondContact O-CA 3.41Å; T245-V252 HydrophobicContact CG2-CB 4.13Å; T245-V252 PolarHBondContact N-O 2.93Å; T245-V252 PolarHBondContact O-N 3.38Å; T245-Q352 HydrophobicContact CG2-CB 3.87Å; T245-Q352 HydrophobicContact CG2-CG 3.6Å; T245-Q352 PolarHBondContact OG1-OE1 2.83Å; T245-L356 HydrophobicContact CG2-CD1 4.29Å
246	E	92.2	Very high	94	Very high	141 Å²	141	42.9 Å²	42.9	66%	0.659	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.9	173.6	-170.2	-177	151.6	0	0	109.2	G249 I250	E246-G249 WeakPolarHBondContact OE1-CA 3.36Å; E246-I250 WeakPolarHBondContact CA-O 3.49Å
247	K	90.1	Very high	94.2	Very high	61 Å²	61	41.3 Å²	41.3	27%	0.265	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121	177.6	-178.4	61.2	179.2	175.9	0	109.8	G249 I250 A348 Q352	K247-G249 PolarHBondContact O-N 3.01Å; K247-I250 PolarHBondContact N-O 3.13Å; K247-I250 WeakPolarHBondContact O-CB 3.13Å; K247-I250 PolarHBondContact O-N 2.82Å; K247-A348 HydrophobicContact CB-CB 4.24Å; K247-A348 HydrophobicContact CG-CB 4.18Å; K247-Q352 HydrophobicContact CB-CG 3.98Å; K247-Q352 HydrophobicContact CG-CG 4.45Å
248	D	87.6	Confident	94.3	Very high	126 Å²	126	41.2 Å²	41.2	67%	0.674	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	38.3	177.5	-50	-32.8	0	0	0	112.9	I250	D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.49Å
249	G	87.5	Confident	94.4	Very high	36 Å²	36	36.8 Å²	36.8	37%	0.371	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	2.6	-176.9	0	0	0	0	0	114.9	E246 K247	E246-G249 WeakPolarHBondContact OE1-CA 3.36Å; K247-G249 PolarHBondContact O-N 3.01Å
250	I	91.5	Very high	94.2	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.2	177.9	-59.4	165.9	0	0	0	108.6	E246 K247 D248 V252 K326 V327 E344 V345 A348	E246-I250 WeakPolarHBondContact CA-O 3.49Å; K247-I250 PolarHBondContact N-O 3.13Å; K247-I250 WeakPolarHBondContact O-CB 3.13Å; K247-I250 PolarHBondContact O-N 2.82Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.49Å; I250-V252 HydrophobicContact CG2-CG2 4.16Å; I250-K326 WeakPolarHBondContact CA-O 3.46Å; I250-V327 HydrophobicContact CG2-CG2 4.03Å; I250-E344 HydrophobicContact CD1-CB 4.34Å; I250-E344 HydrophobicContact CD1-CG 4.02Å; I250-V345 HydrophobicContact CD1-CG2 4.13Å; I250-A348 HydrophobicContact CB-CB 4.42Å; I250-A348 HydrophobicContact CD1-CB 4.1Å
251	G	92.8	Very high	93.7	Very high	19 Å²	19	37 Å²	37	20%	0.196	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.5	169.2	0	0	0	0	0	110.1	T245 V325 K326	T245-G251 CarbonylContact O-C 3.59Å; T245-G251 WeakPolarHBondContact O-CA 3.41Å; G251-V325 CarbonylContact O-C 3.6Å; G251-V325 VanDerWaalsContact O-CA 3.24Å; G251-V325 WeakPolarHBondContact O-CA 3.39Å; G251-K326 PolarHBondContact N-O 2.89Å; G251-K326 PolarHBondContact O-N 3.22Å
252	V	95.8	Very high	92.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.3	177	-176.3	0	0	0	0	108.5	F243 S244 T245 I250 V254 A348 V349	F243-V252 HydrophobicContact CE2-CB 4.38Å; F243-V252 HydrophobicContact CE2-CG1 3.8Å; F243-V252 HydrophobicContact CZ-CG1 4.18Å; S244-V252 WeakPolarHBondContact CA-O 3.25Å; T245-V252 HydrophobicContact CG2-CB 4.13Å; T245-V252 PolarHBondContact N-O 2.93Å; T245-V252 PolarHBondContact O-N 3.38Å; I250-V252 HydrophobicContact CG2-CG2 4.16Å; V252-V254 HydrophobicContact CG1-CG2 4.14Å; V252-A348 HydrophobicContact CG2-CB 4.46Å; V252-V349 HydrophobicContact CG1-CG2 4.03Å; V252-V349 HydrophobicContact CG2-CG2 4.13Å
253	E	96.3	Very high	92.2	Very high	34 Å²	34	38.1 Å²	38.1	16%	0.159	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.3	178.1	-159.5	-169.1	176.3	0	0	108.7	I222 Y242 F243 S324	I222-E253 VanDerWaalsContact CD1-C 3.49Å; I222-E253 HydrophobicContact CD1-CB 3.94Å; I222-E253 HydrophobicContact CD1-CG 3.5Å; I222-E253 VanDerWaalsContact CD1-CG 3.5Å; I222-E253 WeakPolarHBondContact CD1-O 3.44Å; I222-E253 HydrophobicContact CG1-CG 3.96Å; Y242-E253 HydrophobicContact CE2-CG 3.96Å; Y242-E253 PolarHBondContact OH-OE1 3.05Å; F243-E253 WeakPolarHBondContact O-CA 3.32Å; E253-S324 PolarHBondContact N-O 2.92Å; E253-S324 PolarHBondContact O-N 3.41Å; E253-S324 VanDerWaalsContact O-O 3.1Å
254	V	97.7	Very high	91.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132	-177.8	177.5	0	0	0	0	109.7	Y242 F243 V252 L256 F285 V322 V323 M353	Y242-V254 VanDerWaalsContact CA-O 3.3Å; Y242-V254 WeakPolarHBondContact CA-O 3.46Å; F243-V254 HydrophobicContact CD1-CB 4.15Å; F243-V254 HydrophobicContact CE1-CB 3.61Å; F243-V254 HydrophobicContact CE1-CG1 4.23Å; F243-V254 HydrophobicContact CE1-CG2 4Å; F243-V254 HydrophobicContact CE2-CB 4.38Å; F243-V254 HydrophobicContact CE2-CG2 4.23Å; F243-V254 HydrophobicContact CZ-CB 3.73Å; F243-V254 HydrophobicContact CZ-CG2 3.61Å; F243-V254 PolarHBondContact N-O 2.92Å; F243-V254 PolarHBondContact O-N 3.47Å; V252-V254 HydrophobicContact CG1-CG2 4.14Å; V254-L256 HydrophobicContact CG1-CD2 4.23Å; V254-F285 HydrophobicContact CG1-CD2 4.15Å; V254-F285 HydrophobicContact CG1-CE2 3.72Å; V254-V322 WeakPolarHBondContact CA-O 3.33Å; V254-V323 HydrophobicContact CG2-CG1 4.22Å; V254-V323 HydrophobicContact CG2-CG2 4.48Å; V254-M353 HydrophobicContact CG1-SD 4.05Å
255	A	97.7	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.6	166.8	0	0	0	0	0	109.7	I222 V226 I240 F241 Y242 A321 V322	I222-A255 HydrophobicContact CB-CB 4.47Å; I222-A255 HydrophobicContact CD1-CB 4.01Å; I222-A255 HydrophobicContact CG1-CB 3.85Å; V226-A255 HydrophobicContact CB-CB 4.42Å; V226-A255 HydrophobicContact CG2-CB 3.62Å; I240-A255 HydrophobicContact CG2-CB 4.42Å; F241-A255 CarbonylContact O-C 3.42Å; F241-A255 VanDerWaalsContact O-CA 3.28Å; F241-A255 WeakPolarHBondContact O-CA 3.38Å; Y242-A255 HydrophobicContact CD2-CB 4.18Å; A255-A321 CarbonylContact O-C 3.52Å; A255-A321 VanDerWaalsContact O-CA 3.27Å; A255-A321 WeakPolarHBondContact O-CA 3.43Å; A255-V322 PolarHBondContact N-O 2.92Å; A255-V322 PolarHBondContact O-N 2.89Å
256	L	97.4	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	153.6	174.7	67.3	92.2	0	0	0	113.5	F241 V254 W258 F285 M289 L319 I320 A321 M353	F241-L256 HydrophobicContact CB-CD1 3.97Å; F241-L256 HydrophobicContact CB-CG 3.98Å; F241-L256 HydrophobicContact CD1-CD1 4.3Å; F241-L256 HydrophobicContact CD1-CD2 3.54Å; F241-L256 HydrophobicContact CD1-CG 3.65Å; F241-L256 HydrophobicContact CE1-CD2 4.08Å; F241-L256 HydrophobicContact CG-CD1 4.46Å; F241-L256 HydrophobicContact CG-CD2 4.43Å; F241-L256 HydrophobicContact CG-CG 4.21Å; F241-L256 PolarHBondContact N-O 3.19Å; F241-L256 PolarHBondContact O-N 2.96Å; V254-L256 HydrophobicContact CG1-CD2 4.23Å; L256-W258 HydrophobicContact CD1-CE3 3.85Å; L256-W258 HydrophobicContact CD1-CH2 3.64Å; L256-W258 HydrophobicContact CD1-CZ3 3.24Å; L256-F285 HydrophobicContact CD2-CE2 3.81Å; L256-F285 HydrophobicContact CD2-CZ 3.96Å; L256-M289 HydrophobicContact CD1-CE 4.49Å; L256-M289 HydrophobicContact CD2-CE 3.58Å; L256-L319 HydrophobicContact CB-CD1 3.98Å; L256-L319 HydrophobicContact CD1-CD1 3.89Å; L256-L319 HydrophobicContact CG-CD1 4.41Å; L256-I320 CarbonylContact C-O 3.56Å; L256-I320 WeakPolarHBondContact CA-O 3.31Å; L256-I320 WeakPolarHBondContact CB-O 3.43Å; L256-A321 HydrophobicContact CB-CB 3.65Å; L256-M353 HydrophobicContact CD2-CE 4.03Å
257	Q	97	Very high	91.7	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.047	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144	175.3	-171.7	176.1	39.2	0	0	110.3	V226 N230 P235 H237 I240 I320	V226-Q257 HydrophobicContact CG1-CB 3.78Å; N230-Q257 PolarHBondContact ND2-OE1 2.92Å; P235-Q257 HydrophobicContact CB-CG 4.37Å; H237-Q257 PolarHBondContact O-NE2 3.11Å; I240-Q257 HydrophobicContact CG1-CB 4.15Å; I240-Q257 HydrophobicContact CG1-CG 4.25Å; Q257-I320 PolarHBondContact N-O 2.76Å; Q257-I320 PolarHBondContact O-N 2.9Å
258	W	96.6	Very high	92	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.5	173.7	-75.6	-95.3	0	0	0	110.2	I236 H237 L256 M289 L293 A315 G318 L319 V371	I236-W258 HydrophobicContact CD1-CB 3.56Å; I236-W258 HydrophobicContact CD1-CG 4.44Å; I236-W258 HydrophobicContact CG1-CB 3.92Å; I236-W258 PolarHBondContact N-O 3.2Å; I236-W258 VanDerWaalsContact N-O 3.12Å; H237-W258 AromaticContact NE2-CE3 3.6Å; H237-W258 PolarHBondContact NE2-N 2.86Å; L256-W258 HydrophobicContact CD1-CE3 3.85Å; L256-W258 HydrophobicContact CD1-CH2 3.64Å; L256-W258 HydrophobicContact CD1-CZ3 3.24Å; W258-M289 HydrophobicContact CH2-CE 4.45Å; W258-M289 HydrophobicContact CZ2-CE 4.46Å; W258-M289 HydrophobicContact CZ2-SD 4.32Å; W258-L293 HydrophobicContact CH2-CD1 4.23Å; W258-L293 HydrophobicContact CZ2-CD1 3.91Å; W258-A315 PolarHBondContact NE1-O 3.19Å; W258-G318 WeakPolarHBondContact CA-O 3.47Å; W258-L319 HydrophobicContact CD2-CD1 3.99Å; W258-L319 HydrophobicContact CE3-CD1 4.39Å; W258-L319 HydrophobicContact CG-CD1 4.44Å; W258-L319 HydrophobicContact CH2-CD1 4.36Å; W258-L319 HydrophobicContact CZ2-CD1 3.95Å; W258-V371 HydrophobicContact CD2-CG1 3.79Å; W258-V371 HydrophobicContact CD2-CG2 3.98Å; W258-V371 HydrophobicContact CE3-CB 4.4Å; W258-V371 HydrophobicContact CE3-CG1 3.85Å; W258-V371 HydrophobicContact CE3-CG2 3.57Å; W258-V371 HydrophobicContact CG-CG1 4.45Å; W258-V371 HydrophobicContact CG-CG2 4.43Å; W258-V371 HydrophobicContact CH2-CG1 3.97Å; W258-V371 HydrophobicContact CZ2-CG1 3.88Å; W258-V371 HydrophobicContact CZ3-CG1 3.94Å; W258-V371 HydrophobicContact CZ3-CG2 4.07Å
259	N	93.7	Very high	92.3	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-117.9	176.1	170.6	58.9	62.7	0	0	0	111.5	N230 K233 T234 G261 G318 K374	N230-N259 PolarHBondContact OD1-ND2 3.19Å; K233-N259 HydrophobicContact CB-CB 3.92Å; K233-N259 WeakPolarHBondContact CD-ND2 3.46Å; T234-N259 CarbonylContact O-C 3.49Å; T234-N259 WeakPolarHBondContact O-CA 3.29Å; T234-N259 VanDerWaalsContact O-CB 3.29Å; T234-N259 WeakPolarHBondContact O-CB 3.34Å; N259-G261 PolarHBondContact O-N 2.8Å; N259-G261 WeakPolarHBondContact OD1-CA 3.42Å; N259-G261 PolarHBondContact OD1-N 3.13Å; N259-G318 VanDerWaalsContact CG-O 3.29Å; N259-G318 PolarHBondContact N-O 3.28Å; N259-G318 PolarHBondContact ND2-O 3.33Å; N259-G318 PolarHBondContact OD1-O 3.5Å; N259-K374 WeakPolarHBondContact O-CE 3.3Å; N259-K374 PolarHBondContact O-NZ 3.36Å
260	D	88.7	Confident	92.5	Very high	74 Å²	74	21 Å²	21	40%	0.396	11%	0.111	S	C	.	.	S	Bend	trans	-71.6	-14.5	179.8	61.5	-13.3	0	0	0	113.9	T234 I236 K374	T234-D260 VanDerWaalsContact CB-CG 3.42Å; T234-D260 WeakPolarHBondContact CB-OD2 3.44Å; T234-D260 PolarHBondContact N-OD1 2.86Å; T234-D260 PolarHBondContact O-N 2.88Å; T234-D260 PolarHBondContact OG1-OD2 3.13Å; I236-D260 HydrophobicContact CG2-CB 4.21Å; D260-K374 PolarHBondContact O-NZ 3.25Å
261	G	85.3	Confident	92.4	Very high	21 Å²	21	20.7 Å²	20.7	22%	0.216	11%	0.11	C	C	.	.	S	Bend	trans	-68.2	176.1	177.2	0	0	0	0	0	114.5	N259 G318 K374	N259-G261 PolarHBondContact O-N 2.8Å; N259-G261 WeakPolarHBondContact OD1-CA 3.42Å; N259-G261 PolarHBondContact OD1-N 3.13Å; G261-G318 WeakPolarHBondContact O-CA 3.5Å; G261-K374 PolarHBondContact O-NZ 2.84Å
262	F	81.2	Confident	92.2	Very high	75 Å²	75	20 Å²	20	33%	0.329	10%	0.101	S	C	.	.	S	Bend	trans	-110.7	-9.5	-174	-51.8	-72.8	0	0	0	113.7	E317 R457	F262-E317 HydrophobicContact CB-CG 4.35Å; F262-E317 HydrophobicContact CD1-CG 4.44Å; F262-R457 HydrophobicContact CE1-CG 3.84Å; F262-R457 HydrophobicContact CE2-CG 4.13Å; F262-R457 HydrophobicContact CZ-CB 4.4Å; F262-R457 HydrophobicContact CZ-CG 3.43Å; F262-R457 VanDerWaalsContact CZ-CG 3.43Å
263	Q	80.5	Confident	91.7	Very high	57 Å²	57	20.5 Å²	20.5	27%	0.266	10%	0.104	S	C	.	.			trans	-91.5	149.3	-176.2	-66.4	-162.1	-33.7	0	0	112.5	G318 R516	Q263-G318 CarbonylContact O-C 3.55Å; Q263-G318 WeakPolarHBondContact O-CA 3.46Å; Q263-G318 PolarHBondContact O-N 3.16Å; Q263-G318 VanDerWaalsContact O-N 3.14Å; Q263-R516 PolarHBondContact NE2-O 3.16Å
264	E	88.9	Confident	91.4	Very high	31 Å²	31	20.6 Å²	20.6	15%	0.145	11%	0.108	C	C	.	.			trans	-100.8	120.1	174.4	173	-174.1	157.2	0	0	108.4	I266 R286 R316 R480	E264-I266 HydrophobicContact CG-CD1 3.94Å; E264-I266 HydrophobicContact CG-CG1 3.96Å; E264-I266 WeakPolarHBondContact OE1-CD1 3.48Å; E264-R286 IonicContact OE1-CZ 2.66Å; E264-R286 VanDerWaalsContact OE1-CZ 3.3Å; E264-R286 IonicContact OE1-NE 2.74Å; E264-R286 PolarHBondContact OE1-NE 3.11Å; E264-R286 IonicContact OE1-NH2 2.76Å; E264-R286 PolarHBondContact OE1-NH2 2.69Å; E264-R316 HydrophobicContact CB-CB 4.43Å; E264-R316 VanDerWaalsContact CD-CD 3.5Å; E264-R316 HydrophobicContact CG-CB 3.98Å; E264-R316 VanDerWaalsContact OE1-CD 3.31Å; E264-R316 WeakPolarHBondContact OE1-CD 3.34Å; E264-R316 IonicContact OE1-NE 2.58Å; E264-R316 PolarHBondContact OE1-NE 3.46Å; E264-R316 WeakPolarHBondContact OE2-CB 3.48Å; E264-R316 IonicContact OE2-CZ 3.03Å; E264-R316 IonicContact OE2-NE 3.01Å; E264-R316 PolarHBondContact OE2-NE 2.91Å; E264-R480 IonicContact OE2-CZ 2.72Å; E264-R480 IonicContact OE2-NH1 3.57Å; E264-R480 PolarHBondContact OE2-NH1 2.88Å; E264-R480 IonicContact OE2-NH2 3.59Å
265	N	90.5	Very high	91.1	Very high	25 Å²	25	21 Å²	21	13%	0.134	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	99.9	176.4	-64.8	-12.2	0	0	0	109.6	K233 Y267 L319 I320 A321 D774	K233-N265 PolarHBondContact NZ-ND2 3.01Å; N265-Y267 HydrophobicContact CB-CE2 3.91Å; N265-L319 PolarHBondContact N-O 2.85Å; N265-I320 HydrophobicContact CB-CG1 4.3Å; N265-I320 VanDerWaalsContact O-CA 3.31Å; N265-I320 WeakPolarHBondContact O-CA 3.46Å; N265-A321 PolarHBondContact O-N 2.77Å; N265-D774 PolarHBondContact ND2-OD2 3.25Å
266	I	94.5	Very high	90.5	Very high	31 Å²	31	30.3 Å²	30.3	16%	0.159	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.7	177.2	-54.7	169.9	0	0	0	109.1	E264 L282 F285 R286 L319 A321 V323	E264-I266 HydrophobicContact CG-CD1 3.94Å; E264-I266 HydrophobicContact CG-CG1 3.96Å; E264-I266 WeakPolarHBondContact OE1-CD1 3.48Å; I266-L282 HydrophobicContact CB-CD1 4.14Å; I266-L282 HydrophobicContact CD1-CD1 3.96Å; I266-L282 HydrophobicContact CG2-CD1 3.63Å; I266-F285 HydrophobicContact CD1-CD1 4.08Å; I266-F285 HydrophobicContact CD1-CE1 3.67Å; I266-F285 HydrophobicContact CG1-CE1 4.2Å; I266-F285 HydrophobicContact CG2-CD1 4.38Å; I266-F285 HydrophobicContact CG2-CE1 4.22Å; I266-R286 HydrophobicContact CD1-CG 4.27Å; I266-L319 HydrophobicContact CD1-CD2 4.35Å; I266-L319 HydrophobicContact CG1-CD2 4.37Å; I266-A321 CarbonylContact C-O 3.52Å; I266-A321 WeakPolarHBondContact CA-O 3.36Å; I266-A321 HydrophobicContact CG1-CB 4.26Å; I266-A321 HydrophobicContact CG2-CB 4.26Å; I266-V323 HydrophobicContact CG2-CG2 4.13Å
267	Y	94.7	Very high	90	Very high	39 Å²	39	35.6 Å²	35.6	15%	0.153	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129	178.4	-58.7	-89.6	0	0	0	109.6	L229 N265 A321 V322 V323 I771	L229-Y267 HydrophobicContact CD1-CD2 3.59Å; L229-Y267 HydrophobicContact CD1-CE2 3.51Å; L229-Y267 HydrophobicContact CD2-CE2 3.82Å; L229-Y267 HydrophobicContact CG-CE2 4.26Å; N265-Y267 HydrophobicContact CB-CE2 3.91Å; Y267-A321 PolarHBondContact N-O 3.22Å; Y267-V322 CarbonylContact O-C 3.56Å; Y267-V322 WeakPolarHBondContact O-CA 3.38Å; Y267-V323 PolarHBondContact O-N 3.33Å; Y267-I771 HydrophobicContact CD1-CD1 4.41Å; Y267-I771 HydrophobicContact CE1-CD1 3.89Å; Y267-I771 HydrophobicContact CE1-CG1 3.65Å
268	C	95.8	Very high	89.8	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.047	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.1	-174.7	-64.3	0	0	0	0	111.2	P274 Q275 H281 V323	C268-P274 WeakPolarHBondContact O-CA 3.36Å; C268-Q275 HydrophobicContact CB-CB 4.5Å; C268-Q275 PolarHBondContact O-N 3.14Å; C268-H281 WeakPolarHBondContact CB-NE2 3.37Å; C268-V323 CarbonylContact C-O 2.94Å; C268-V323 WeakPolarHBondContact CA-O 3.37Å
269	F	94.5	Very high	89.7	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.3	-179	-57.6	-88.7	0	0	0	111.3	E193 L197 F225 I273 P274 V322 V323 S324 V325	E193-F269 HydrophobicContact CB-CE1 4.47Å; L197-F269 HydrophobicContact CD1-CD1 3.48Å; L197-F269 VanDerWaalsContact CD1-CD1 3.48Å; L197-F269 HydrophobicContact CD1-CD2 4.46Å; L197-F269 HydrophobicContact CD1-CE1 3.68Å; L197-F269 HydrophobicContact CD1-CG 3.91Å; L197-F269 HydrophobicContact CD1-CZ 4.27Å; L197-F269 HydrophobicContact CD2-CB 4.17Å; L197-F269 HydrophobicContact CD2-CD1 4.31Å; L197-F269 HydrophobicContact CD2-CD2 3.88Å; L197-F269 HydrophobicContact CD2-CE2 4.35Å; L197-F269 HydrophobicContact CD2-CG 3.86Å; F225-F269 AromaticContact CE1-CE2 3.93Å; F225-F269 HydrophobicContact CE1-CE2 3.93Å; F225-F269 AromaticContact CE1-CZ 3.85Å; F225-F269 HydrophobicContact CE1-CZ 3.85Å; F269-I273 CarbonylContact C-O 3.54Å; F269-I273 VanDerWaalsContact CA-O 3.23Å; F269-I273 WeakPolarHBondContact CA-O 3.18Å; F269-P274 HydrophobicContact CD1-CB 3.9Å; F269-P274 HydrophobicContact CE1-CB 3.71Å; F269-V322 HydrophobicContact CD2-CG1 3.96Å; F269-V322 HydrophobicContact CE2-CG1 3.91Å; F269-V323 PolarHBondContact N-O 2.8Å; F269-S324 WeakPolarHBondContact O-CA 3.25Å; F269-V325 WeakPolarHBondContact O-CG2 3.46Å; F269-V325 PolarHBondContact O-N 3.32Å
270	T	92.4	Very high	89.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118	172.3	-55.5	0	0	0	0	107.1	N272 I273 Q275 V325 V327 P330 F332 L340	T270-N272 PolarHBondContact O-N 2.86Å; T270-I273 PolarHBondContact N-O 2.96Å; T270-I273 WeakPolarHBondContact O-CB 3.25Å; T270-I273 PolarHBondContact O-N 3.09Å; T270-Q275 PolarHBondContact OG1-OE1 3.38Å; T270-V325 CarbonylContact C-O 3.57Å; T270-V325 WeakPolarHBondContact CA-O 3.32Å; T270-V325 HydrophobicContact CG2-CG2 4.01Å; T270-V327 HydrophobicContact CG2-CB 4.41Å; T270-V327 HydrophobicContact CG2-CG2 4.15Å; T270-P330 HydrophobicContact CG2-CB 3.68Å; T270-P330 HydrophobicContact CG2-CG 4.06Å; T270-F332 HydrophobicContact CG2-CE1 4.38Å; T270-F332 HydrophobicContact CG2-CZ 3.97Å; T270-L340 HydrophobicContact CG2-CD1 4.03Å
271	N	88.7	Confident	90.2	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	46.5	-177.1	-58.1	-1.4	0	0	0	112.5	V111 S112 I273 V325 K326 V327	V111-N271 HydrophobicContact CG1-CB 4.11Å; V111-N271 VanDerWaalsContact CG1-CG 3.4Å; V111-N271 WeakPolarHBondContact CG1-OD1 3.49Å; S112-N271 VanDerWaalsContact O-CB 3.3Å; S112-N271 WeakPolarHBondContact O-CB 3.37Å; S112-N271 PolarHBondContact O-ND2 3.41Å; N271-I273 PolarHBondContact O-N 3.28Å; N271-I273 VanDerWaalsContact O-N 3.16Å; N271-V325 PolarHBondContact N-O 2.76Å; N271-K326 VanDerWaalsContact OD1-CA 3.31Å; N271-K326 WeakPolarHBondContact OD1-CA 3.48Å; N271-V327 PolarHBondContact ND2-O 2.98Å; N271-V327 PolarHBondContact OD1-N 2.86Å; N271-V327 PolarHBondContact OD1-O 2.8Å
272	N	87.7	Confident	90.8	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	-5.2	-175.9	-57.9	-19.1	0	0	0	116.6	I48 R190 L194 L197 N198 T270 K326	I48-N272 WeakPolarHBondContact CG2-ND2 3.43Å; R190-N272 PolarHBondContact NH1-O 3.33Å; R190-N272 VanDerWaalsContact NH1-O 3.15Å; R190-N272 PolarHBondContact NH2-O 3.06Å; L194-N272 HydrophobicContact CD2-CB 3.96Å; L197-N272 HydrophobicContact CD1-CB 4.38Å; N198-N272 PolarHBondContact ND2-ND2 2.98Å; N198-N272 VanDerWaalsContact ND2-ND2 3.12Å; N198-N272 PolarHBondContact OD1-ND2 3.28Å; T270-N272 PolarHBondContact O-N 2.86Å; N272-K326 PolarHBondContact OD1-NZ 3.34Å
273	I	86.4	Confident	91.5	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.067	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.5	177.7	-59.3	160.5	0	0	0	109.1	G113 F269 T270 N271 Q275 K337	G113-I273 WeakPolarHBondContact O-CD1 3.1Å; F269-I273 CarbonylContact C-O 3.54Å; F269-I273 VanDerWaalsContact CA-O 3.23Å; F269-I273 WeakPolarHBondContact CA-O 3.18Å; T270-I273 PolarHBondContact N-O 2.96Å; T270-I273 WeakPolarHBondContact O-CB 3.25Å; T270-I273 PolarHBondContact O-N 3.09Å; N271-I273 PolarHBondContact O-N 3.28Å; N271-I273 VanDerWaalsContact O-N 3.16Å; I273-Q275 PolarHBondContact O-NE2 3.11Å; I273-Q275 PolarHBondContact O-OE1 3.1Å; I273-K337 HydrophobicContact CD1-CD 3.52Å; I273-K337 HydrophobicContact CG2-CB 3.94Å; I273-K337 HydrophobicContact CG2-CD 4.09Å
274	P	90.5	Very high	92.3	Very high	36 Å²	36	29.2 Å²	29.2	23%	0.234	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.7	-179.6	31.3	-24.4	0	0	0	110.3	R190 C268 F269	R190-P274 VanDerWaalsContact CZ-CD 3.46Å; R190-P274 VanDerWaalsContact NH1-CD 3.34Å; C268-P274 WeakPolarHBondContact O-CA 3.36Å; F269-P274 HydrophobicContact CD1-CB 3.9Å; F269-P274 HydrophobicContact CE1-CB 3.71Å
275	Q	91.1	Very high	92.7	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.037	14%	0.143	C	C	.	.			trans	-109.6	100	172.2	-74.1	72.5	61.4	0	0	109.8	C268 T270 I273 D277 G278 H281 F332 D338 L340	C268-Q275 HydrophobicContact CB-CB 4.5Å; C268-Q275 PolarHBondContact O-N 3.14Å; T270-Q275 PolarHBondContact OG1-OE1 3.38Å; I273-Q275 PolarHBondContact O-NE2 3.11Å; I273-Q275 PolarHBondContact O-OE1 3.1Å; Q275-D277 VanDerWaalsContact C-N 3.3Å; Q275-D277 PolarHBondContact O-N 3.07Å; Q275-G278 WeakPolarHBondContact CB-O 3.34Å; Q275-G278 PolarHBondContact O-N 2.65Å; Q275-G278 VanDerWaalsContact O-N 3.08Å; Q275-H281 PolarHBondContact OE1-NE2 2.92Å; Q275-F332 HydrophobicContact CG-CE1 4.24Å; Q275-D338 CarbonylContact C-O 3.59Å; Q275-D338 VanDerWaalsContact C-O 3.28Å; Q275-D338 VanDerWaalsContact CA-O 3.24Å; Q275-D338 WeakPolarHBondContact CA-O 3.36Å; Q275-D338 WeakPolarHBondContact CB-O 3.15Å; Q275-L340 HydrophobicContact CG-CB 4.27Å
276	R	84.9	Confident	92.9	Very high	196 Å²	196	31.2 Å²	31.2	74%	0.74	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-39.4	-179.8	-65.4	179.4	-178.8	-174.9	2.5	112.2	G278 D338	R276-G278 PolarHBondContact O-N 3.15Å; R276-D338 PolarHBondContact N-O 3.15Å
277	D	86.7	Confident	92.9	Very high	111 Å²	111	31.1 Å²	31.1	59%	0.594	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	6.7	179.2	-67.1	-12.9	0	0	0	112.4	Q275 G279 D338 K339	Q275-D277 VanDerWaalsContact C-N 3.3Å; Q275-D277 PolarHBondContact O-N 3.07Å; D277-G279 PolarHBondContact O-N 2.96Å; D277-D338 PolarHBondContact N-O 2.86Å; D277-K339 HydrophobicContact CB-CB 3.97Å; D277-K339 HydrophobicContact CB-CD 4.35Å; D277-K339 HydrophobicContact CB-CG 4.25Å
278	G	91.8	Very high	93	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	15%	0.151	C	C	.	.			trans	63.7	-131.6	-174.3	0	0	0	0	0	112	Q275 R276 H281 K339 L340	Q275-G278 WeakPolarHBondContact CB-O 3.34Å; Q275-G278 PolarHBondContact O-N 2.65Å; Q275-G278 VanDerWaalsContact O-N 3.08Å; R276-G278 PolarHBondContact O-N 3.15Å; G278-H281 VanDerWaalsContact C-CE1 3.46Å; G278-H281 PolarHBondContact O-CE1 2.8Å; G278-K339 VanDerWaalsContact O-CA 3.32Å; G278-K339 WeakPolarHBondContact O-CA 3.43Å; G278-L340 PolarHBondContact O-N 2.85Å; G278-L340 VanDerWaalsContact O-N 3.09Å
279	G	95.4	Very high	92.9	Very high	12 Å²	12	28.9 Å²	28.9	12%	0.124	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	148.7	-156	-176.9	0	0	0	0	0	113.2	D277 H281 L282 A283 L340	D277-G279 PolarHBondContact O-N 2.96Å; G279-H281 VanDerWaalsContact C-N 3.33Å; G279-H281 PolarHBondContact O-N 2.84Å; G279-L282 PolarHBondContact O-N 3.33Å; G279-A283 PolarHBondContact O-N 3.24Å; G279-L340 WeakPolarHBondContact CA-O 3.44Å
280	T	97.2	Very high	92.8	Very high	24 Å²	24	30 Å²	30	15%	0.147	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-35.5	-177	50.4	0	0	0	0	113.2	A283 G284 L340 S342 K346	T280-A283 PolarHBondContact O-N 2.89Å; T280-G284 PolarHBondContact O-N 2.9Å; T280-L340 PolarHBondContact N-O 3.04Å; T280-L340 WeakPolarHBondContact OG1-CD2 3.35Å; T280-L340 WeakPolarHBondContact OG1-CG 3.22Å; T280-S342 WeakPolarHBondContact CB-O 3.49Å; T280-S342 WeakPolarHBondContact CG2-O 3.34Å; T280-S342 PolarHBondContact OG1-O 3.27Å; T280-K346 WeakPolarHBondContact O-CA 3.49Å
281	H	96.3	Very high	92.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-50.2	171.4	52.1	-13.3	0	0	0	112.7	C268 Q275 G278 G279 A283 G284 F285 V323 V325 L340 V345 V349	C268-H281 WeakPolarHBondContact CB-NE2 3.37Å; Q275-H281 PolarHBondContact OE1-NE2 2.92Å; G278-H281 VanDerWaalsContact C-CE1 3.46Å; G278-H281 PolarHBondContact O-CE1 2.8Å; G279-H281 VanDerWaalsContact C-N 3.33Å; G279-H281 PolarHBondContact O-N 2.84Å; H281-A283 VanDerWaalsContact C-N 3.31Å; H281-A283 PolarHBondContact O-N 3.38Å; H281-G284 PolarHBondContact O-N 3.31Å; H281-F285 WeakPolarHBondContact O-CB 3.28Å; H281-F285 PolarHBondContact O-N 2.89Å; H281-V323 HydrophobicContact CB-CG1 4.33Å; H281-V325 HydrophobicContact CB-CG1 4.1Å; H281-V325 HydrophobicContact CB-CG2 4.43Å; H281-L340 HydrophobicContact CB-CD2 4.14Å; H281-V345 HydrophobicContact CB-CG1 3.86Å; H281-V349 HydrophobicContact CB-CG2 4.22Å
282	L	96.7	Very high	93.2	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.115	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-42.4	176.6	179.7	59.1	0	0	0	111.7	I266 G279 F285 R286	I266-L282 HydrophobicContact CB-CD1 4.14Å; I266-L282 HydrophobicContact CD1-CD1 3.96Å; I266-L282 HydrophobicContact CG2-CD1 3.63Å; G279-L282 PolarHBondContact O-N 3.33Å; L282-F285 PolarHBondContact O-N 3.14Å; L282-R286 HydrophobicContact CD1-CG 4.03Å; L282-R286 HydrophobicContact CG-CG 4.48Å; L282-R286 WeakPolarHBondContact O-CB 3.25Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 3.36Å
283	A	96.4	Very high	93.6	Very high	46 Å²	46	35.6 Å²	35.6	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-63.4	-43.2	178.1	0	0	0	0	0	111.9	G279 T280 H281 A287	G279-A283 PolarHBondContact O-N 3.24Å; T280-A283 PolarHBondContact O-N 2.89Å; H281-A283 VanDerWaalsContact C-N 3.31Å; H281-A283 PolarHBondContact O-N 3.38Å; A283-A287 VanDerWaalsContact O-CB 3.27Å; A283-A287 WeakPolarHBondContact O-CB 3.4Å; A283-A287 PolarHBondContact O-N 3.09Å; A283-A287 VanDerWaalsContact O-N 3.12Å
284	G	96.4	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-47.1	175.2	0	0	0	0	0	112	T280 H281 A287 A288	T280-G284 PolarHBondContact O-N 2.9Å; H281-G284 PolarHBondContact O-N 3.31Å; G284-A287 PolarHBondContact O-N 3.5Å; G284-A288 WeakPolarHBondContact O-CB 3.27Å; G284-A288 PolarHBondContact O-N 2.8Å
285	F	97.3	Very high	94	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-53.8	176.9	173.2	-98.9	0	0	0	112.6	V254 L256 I266 H281 L282 A287 A288 M289 L319 A321 V323 V349 M353	V254-F285 HydrophobicContact CG1-CD2 4.15Å; V254-F285 HydrophobicContact CG1-CE2 3.72Å; L256-F285 HydrophobicContact CD2-CE2 3.81Å; L256-F285 HydrophobicContact CD2-CZ 3.96Å; I266-F285 HydrophobicContact CD1-CD1 4.08Å; I266-F285 HydrophobicContact CD1-CE1 3.67Å; I266-F285 HydrophobicContact CG1-CE1 4.2Å; I266-F285 HydrophobicContact CG2-CD1 4.38Å; I266-F285 HydrophobicContact CG2-CE1 4.22Å; H281-F285 WeakPolarHBondContact O-CB 3.28Å; H281-F285 PolarHBondContact O-N 2.89Å; L282-F285 PolarHBondContact O-N 3.14Å; F285-A287 VanDerWaalsContact C-N 3.33Å; F285-A287 PolarHBondContact O-N 2.64Å; F285-A288 PolarHBondContact O-N 2.83Å; F285-M289 HydrophobicContact CE1-CE 3.76Å; F285-M289 HydrophobicContact CE1-SD 4.35Å; F285-M289 HydrophobicContact CE2-CE 3.76Å; F285-M289 HydrophobicContact CZ-CE 3.19Å; F285-M289 HydrophobicContact CZ-SD 4.33Å; F285-M289 WeakPolarHBondContact O-CB 3.25Å; F285-M289 PolarHBondContact O-N 3.01Å; F285-L319 HydrophobicContact CE1-CD2 4.23Å; F285-L319 HydrophobicContact CZ-CD2 4.31Å; F285-A321 HydrophobicContact CE1-CB 4.08Å; F285-A321 HydrophobicContact CE2-CB 4.37Å; F285-A321 HydrophobicContact CZ-CB 3.54Å; F285-V323 HydrophobicContact CB-CG2 4.19Å; F285-V323 HydrophobicContact CD1-CG2 4.15Å; F285-V323 HydrophobicContact CD2-CG2 3.7Å; F285-V323 HydrophobicContact CE1-CG2 4.47Å; F285-V323 HydrophobicContact CE2-CG2 4.04Å; F285-V323 HydrophobicContact CG-CG2 3.75Å; F285-V323 HydrophobicContact CZ-CG2 4.38Å; F285-V349 HydrophobicContact CB-CG1 4.06Å; F285-M353 HydrophobicContact CD2-CG 4.24Å; F285-M353 HydrophobicContact CD2-SD 3.61Å; F285-M353 HydrophobicContact CE2-SD 3.7Å
286	R	95.7	Very high	94.2	Very high	98 Å²	98	38.7 Å²	38.7	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-40.5	-178.5	-77.1	-176.9	165.7	157.7	-0.7	112.2	E264 I266 L282 T290	E264-R286 IonicContact OE1-CZ 2.66Å; E264-R286 VanDerWaalsContact OE1-CZ 3.3Å; E264-R286 IonicContact OE1-NE 2.74Å; E264-R286 PolarHBondContact OE1-NE 3.11Å; E264-R286 IonicContact OE1-NH2 2.76Å; E264-R286 PolarHBondContact OE1-NH2 2.69Å; I266-R286 HydrophobicContact CD1-CG 4.27Å; L282-R286 HydrophobicContact CD1-CG 4.03Å; L282-R286 HydrophobicContact CG-CG 4.48Å; L282-R286 WeakPolarHBondContact O-CB 3.25Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 3.36Å; R286-T290 WeakPolarHBondContact O-CB 3.45Å; R286-T290 PolarHBondContact O-N 3.43Å; R286-T290 PolarHBondContact O-OG1 3.23Å
287	A	94.3	Very high	94.5	Very high	29 Å²	29	29.5 Å²	29.5	24%	0.24	17%	0.165	C	C	.	.	H	α-helix	trans	-66.5	-45.9	179.2	0	0	0	0	0	111.7	A283 G284 F285 R291	A283-A287 VanDerWaalsContact O-CB 3.27Å; A283-A287 WeakPolarHBondContact O-CB 3.4Å; A283-A287 PolarHBondContact O-N 3.09Å; A283-A287 VanDerWaalsContact O-N 3.12Å; G284-A287 PolarHBondContact O-N 3.5Å; F285-A287 VanDerWaalsContact C-N 3.33Å; F285-A287 PolarHBondContact O-N 2.64Å; A287-R291 WeakPolarHBondContact O-CG 3.31Å; A287-R291 PolarHBondContact O-N 2.99Å
288	A	96.2	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-51.9	178.3	0	0	0	0	0	112.3	G284 F285 T290 R291 T292 E350 M353 N354	G284-A288 WeakPolarHBondContact O-CB 3.27Å; G284-A288 PolarHBondContact O-N 2.8Å; F285-A288 PolarHBondContact O-N 2.83Å; A288-T290 PolarHBondContact O-N 3.39Å; A288-R291 PolarHBondContact O-N 3.41Å; A288-T292 WeakPolarHBondContact O-CB 3.31Å; A288-T292 PolarHBondContact O-N 2.76Å; A288-T292 PolarHBondContact O-OG1 3.41Å; A288-E350 HydrophobicContact CB-CG 4.24Å; A288-E350 WeakPolarHBondContact CB-O 3.25Å; A288-M353 HydrophobicContact CB-CB 3.63Å; A288-M353 HydrophobicContact CB-CG 3.66Å; A288-N354 WeakPolarHBondContact CA-OD1 3.37Å; A288-N354 VanDerWaalsContact CB-OD1 3.24Å; A288-N354 WeakPolarHBondContact CB-OD1 3.45Å; A288-N354 PolarHBondContact O-OD1 2.91Å
289	M	94.7	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-53.9	-50.2	179.2	175.8	177.9	-73.7	0	0	112.6	L256 W258 F285 R291 T292 L293 R316 L319	L256-M289 HydrophobicContact CD1-CE 4.49Å; L256-M289 HydrophobicContact CD2-CE 3.58Å; W258-M289 HydrophobicContact CH2-CE 4.45Å; W258-M289 HydrophobicContact CZ2-CE 4.46Å; W258-M289 HydrophobicContact CZ2-SD 4.32Å; F285-M289 HydrophobicContact CE1-CE 3.76Å; F285-M289 HydrophobicContact CE1-SD 4.35Å; F285-M289 HydrophobicContact CE2-CE 3.76Å; F285-M289 HydrophobicContact CZ-CE 3.19Å; F285-M289 HydrophobicContact CZ-SD 4.33Å; F285-M289 WeakPolarHBondContact O-CB 3.25Å; F285-M289 PolarHBondContact O-N 3.01Å; M289-R291 VanDerWaalsContact C-N 3.33Å; M289-R291 PolarHBondContact O-N 3.35Å; M289-T292 PolarHBondContact O-N 3.22Å; M289-L293 HydrophobicContact CG-CD1 3.58Å; M289-L293 HydrophobicContact CG-CG 4.47Å; M289-L293 WeakPolarHBondContact O-CB 3.32Å; M289-L293 WeakPolarHBondContact O-CG 3.27Å; M289-L293 PolarHBondContact O-N 3.49Å; M289-L293 HydrophobicContact SD-CD1 4.49Å; M289-R316 HydrophobicContact SD-CG 3.87Å; M289-L319 HydrophobicContact CE-CD1 4.15Å; M289-L319 HydrophobicContact CE-CD2 3.64Å; M289-L319 HydrophobicContact SD-CD2 3.51Å; M289-L319 VanDerWaalsContact SD-CD2 3.51Å
290	T	92.6	Very high	94.7	Very high	26 Å²	26	39.7 Å²	39.7	16%	0.16	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-44.6	-178.4	-54.8	0	0	0	0	111.2	R286 A288 N294 G312 R316	R286-T290 WeakPolarHBondContact O-CB 3.45Å; R286-T290 PolarHBondContact O-N 3.43Å; R286-T290 PolarHBondContact O-OG1 3.23Å; A288-T290 PolarHBondContact O-N 3.39Å; T290-N294 WeakPolarHBondContact O-CB 3.39Å; T290-N294 VanDerWaalsContact O-CG 3.32Å; T290-N294 PolarHBondContact O-N 3.48Å; T290-N294 VanDerWaalsContact O-N 3.16Å; T290-N294 PolarHBondContact O-ND2 2.85Å; T290-G312 WeakPolarHBondContact OG1-CA 3.49Å; T290-R316 PolarHBondContact OG1-NH1 3.06Å
291	R	94	Very high	94.3	Very high	110 Å²	110	39.5 Å²	39.5	42%	0.415	21%	0.209	S	C	.	.	H	α-helix	trans	-71	-44.2	-178.8	-72.1	-172.8	-51.7	-107.7	-15.6	112.5	A287 A288 M289 N294 A295 E350	A287-R291 WeakPolarHBondContact O-CG 3.31Å; A287-R291 PolarHBondContact O-N 2.99Å; A288-R291 PolarHBondContact O-N 3.41Å; M289-R291 VanDerWaalsContact C-N 3.33Å; M289-R291 PolarHBondContact O-N 3.35Å; R291-N294 PolarHBondContact O-N 3.2Å; R291-A295 VanDerWaalsContact O-CB 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.32Å; R291-A295 PolarHBondContact O-N 3.33Å; R291-E350 IonicContact CZ-OE1 3.15Å; R291-E350 IonicContact NH1-OE1 3.71Å; R291-E350 PolarHBondContact NH1-OE1 3.14Å; R291-E350 VanDerWaalsContact NH2-CD 3.3Å; R291-E350 IonicContact NH2-OE1 3.94Å; R291-E350 PolarHBondContact NH2-OE1 3.07Å
292	T	95.6	Very high	94	Very high	14 Å²	14	42.1 Å²	42.1	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-44.1	-178.9	-61.5	0	0	0	0	111.5	A288 M289 A295 Y296 N354 L357 A358 L361	A288-T292 WeakPolarHBondContact O-CB 3.31Å; A288-T292 PolarHBondContact O-N 2.76Å; A288-T292 PolarHBondContact O-OG1 3.41Å; M289-T292 PolarHBondContact O-N 3.22Å; T292-A295 PolarHBondContact O-N 3.31Å; T292-Y296 WeakPolarHBondContact O-CB 3.38Å; T292-Y296 PolarHBondContact O-N 3.24Å; T292-N354 WeakPolarHBondContact OG1-CA 3.35Å; T292-N354 PolarHBondContact OG1-OD1 3.09Å; T292-L357 HydrophobicContact CG2-CB 4Å; T292-L357 HydrophobicContact CG2-CD2 3.97Å; T292-L357 HydrophobicContact CG2-CG 3.9Å; T292-A358 HydrophobicContact CG2-CB 3.94Å; T292-L361 HydrophobicContact CG2-CD1 4.1Å
293	L	94.8	Very high	93.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-44.1	177.2	-70.6	166.6	0	0	0	111.8	W258 M289 Y296 M297 A315 L357 L361 V371 I375	W258-L293 HydrophobicContact CH2-CD1 4.23Å; W258-L293 HydrophobicContact CZ2-CD1 3.91Å; M289-L293 HydrophobicContact CG-CD1 3.58Å; M289-L293 HydrophobicContact CG-CG 4.47Å; M289-L293 WeakPolarHBondContact O-CB 3.32Å; M289-L293 WeakPolarHBondContact O-CG 3.27Å; M289-L293 PolarHBondContact O-N 3.49Å; M289-L293 HydrophobicContact SD-CD1 4.49Å; L293-Y296 PolarHBondContact O-N 3.37Å; L293-M297 WeakPolarHBondContact O-CG 3.38Å; L293-M297 PolarHBondContact O-N 2.93Å; L293-A315 HydrophobicContact CD1-CB 3.92Å; L293-L357 HydrophobicContact CG-CD2 4.44Å; L293-L361 HydrophobicContact CD2-CD1 4.01Å; L293-L361 HydrophobicContact CD2-CD2 4.2Å; L293-V371 HydrophobicContact CD2-CG1 4.43Å; L293-I375 HydrophobicContact CD1-CD1 3.94Å; L293-I375 HydrophobicContact CD2-CD1 4.27Å; L293-I375 HydrophobicContact CG-CD1 4.48Å
294	N	92.6	Very high	92.6	Very high	42 Å²	42	48.8 Å²	48.8	23%	0.225	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-44.2	176.1	-78.4	-18.9	0	0	0	112.1	T290 R291 Y296 M297 D298 A310	T290-N294 WeakPolarHBondContact O-CB 3.39Å; T290-N294 VanDerWaalsContact O-CG 3.32Å; T290-N294 PolarHBondContact O-N 3.48Å; T290-N294 VanDerWaalsContact O-N 3.16Å; T290-N294 PolarHBondContact O-ND2 2.85Å; R291-N294 PolarHBondContact O-N 3.2Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.37Å; N294-M297 HydrophobicContact CB-CE 4.48Å; N294-M297 PolarHBondContact O-N 3.31Å; N294-M297 WeakPolarHBondContact OD1-CE 3.42Å; N294-D298 WeakPolarHBondContact O-CB 3.32Å; N294-D298 PolarHBondContact O-N 3.4Å; N294-A310 PolarHBondContact ND2-O 3.43Å
295	A	93.5	Very high	92	Very high	59 Å²	59	56.6 Å²	56.6	49%	0.488	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-41.6	176.5	0	0	0	0	0	111.9	R291 T292 K299	R291-A295 VanDerWaalsContact O-CB 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.32Å; R291-A295 PolarHBondContact O-N 3.33Å; T292-A295 PolarHBondContact O-N 3.31Å; A295-K299 VanDerWaalsContact O-CB 3.27Å; A295-K299 WeakPolarHBondContact O-CB 3.18Å; A295-K299 PolarHBondContact O-N 2.83Å
296	Y	94.3	Very high	91.3	Very high	20 Å²	20	57 Å²	57	8%	0.078	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-47.8	174.7	-177.6	-92.8	0	0	0	111.7	T292 L293 N294 D298 K299 E300 Y302 L361 L362 A368 V372	T292-Y296 WeakPolarHBondContact O-CB 3.38Å; T292-Y296 PolarHBondContact O-N 3.24Å; L293-Y296 PolarHBondContact O-N 3.37Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.37Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 3.5Å; Y296-K299 PolarHBondContact O-N 3.32Å; Y296-E300 HydrophobicContact CD1-CG 4.33Å; Y296-E300 HydrophobicContact CD2-CG 4.31Å; Y296-E300 HydrophobicContact CE1-CG 3.99Å; Y296-E300 HydrophobicContact CE2-CG 3.99Å; Y296-E300 HydrophobicContact CG-CG 4.48Å; Y296-E300 WeakPolarHBondContact O-CB 3.45Å; Y296-E300 WeakPolarHBondContact O-CG 3.4Å; Y296-E300 PolarHBondContact O-N 3.21Å; Y296-Y302 HydrophobicContact CE1-CE2 4.18Å; Y296-L361 HydrophobicContact CD1-CD1 4.48Å; Y296-L361 HydrophobicContact CD2-CB 3.67Å; Y296-L361 HydrophobicContact CD2-CD1 4.12Å; Y296-L361 HydrophobicContact CD2-CG 4.49Å; Y296-L361 HydrophobicContact CE2-CB 3.63Å; Y296-L361 WeakPolarHBondContact CE2-O 3.44Å; Y296-L361 HydrophobicContact CG-CB 4.21Å; Y296-L361 HydrophobicContact CG-CD1 3.93Å; Y296-L361 PolarHBondContact OH-O 3.46Å; Y296-L361 VanDerWaalsContact OH-O 3.11Å; Y296-L362 HydrophobicContact CE2-CD2 4.25Å; Y296-A368 HydrophobicContact CE1-CB 3.85Å; Y296-A368 WeakPolarHBondContact OH-CB 3.36Å; Y296-V372 HydrophobicContact CD1-CG2 4.1Å; Y296-V372 HydrophobicContact CE1-CG2 4.22Å
297	M	93	Very high	90.6	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-38	178.3	-73	-173.6	-61.1	0	0	113.2	L293 N294 G301 Y302 S303 A310 V372 I375	L293-M297 WeakPolarHBondContact O-CG 3.38Å; L293-M297 PolarHBondContact O-N 2.93Å; N294-M297 HydrophobicContact CB-CE 4.48Å; N294-M297 PolarHBondContact O-N 3.31Å; N294-M297 WeakPolarHBondContact OD1-CE 3.42Å; M297-G301 CarbonylContact O-C 3.58Å; M297-G301 PolarHBondContact O-N 3.35Å; M297-G301 VanDerWaalsContact O-N 3.11Å; M297-Y302 PolarHBondContact O-N 2.8Å; M297-S303 WeakPolarHBondContact CB-OG 3.37Å; M297-S303 PolarHBondContact O-N 3.42Å; M297-A310 HydrophobicContact CE-CB 3.76Å; M297-V372 HydrophobicContact CG-CB 4.34Å; M297-V372 HydrophobicContact CG-CG1 3.75Å; M297-V372 HydrophobicContact CG-CG2 3.67Å; M297-V372 HydrophobicContact SD-CG1 3.92Å; M297-V372 HydrophobicContact SD-CG2 4.29Å; M297-I375 HydrophobicContact CE-CG2 4.26Å; M297-I375 HydrophobicContact SD-CG2 4.17Å
298	D	91.6	Very high	90.1	Very high	100 Å²	100	61.9 Å²	61.9	54%	0.535	30%	0.301	S	S	.	.	H	α-helix	trans	-70.1	-43.4	177.3	-74.7	-17.3	0	0	0	111.7	N294 Y296 G301 S303	N294-D298 WeakPolarHBondContact O-CB 3.32Å; N294-D298 PolarHBondContact O-N 3.4Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 3.5Å; D298-G301 PolarHBondContact O-N 3.23Å; D298-S303 WeakPolarHBondContact OD1-CB 3.46Å; D298-S303 PolarHBondContact OD1-OG 2.93Å
299	K	92.4	Very high	89.5	Confident	154 Å²	154	66.4 Å²	66.4	67%	0.67	33%	0.332	S	S	*	.	H	α-helix	trans	-64.6	-44.7	179.1	-173	-179	176.7	-172.7	0	112.2	A295 Y296 G301	A295-K299 VanDerWaalsContact O-CB 3.27Å; A295-K299 WeakPolarHBondContact O-CB 3.18Å; A295-K299 PolarHBondContact O-N 2.83Å; Y296-K299 PolarHBondContact O-N 3.32Å; K299-G301 VanDerWaalsContact C-N 3.27Å; K299-G301 PolarHBondContact O-N 2.99Å
300	E	92	Very high	89.2	Confident	87 Å²	87	67 Å²	67	41%	0.407	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.7	179	-61.7	-55	124.6	0	0	113.1	Y296 Y302	Y296-E300 HydrophobicContact CD1-CG 4.33Å; Y296-E300 HydrophobicContact CD2-CG 4.31Å; Y296-E300 HydrophobicContact CE1-CG 3.99Å; Y296-E300 HydrophobicContact CE2-CG 3.99Å; Y296-E300 HydrophobicContact CG-CG 4.48Å; Y296-E300 WeakPolarHBondContact O-CB 3.45Å; Y296-E300 WeakPolarHBondContact O-CG 3.4Å; Y296-E300 PolarHBondContact O-N 3.21Å; E300-Y302 HydrophobicContact CB-CD2 3.57Å; E300-Y302 HydrophobicContact CB-CE2 3.48Å; E300-Y302 VanDerWaalsContact CB-CE2 3.48Å; E300-Y302 HydrophobicContact CG-CE2 4.27Å; E300-Y302 PolarHBondContact O-N 2.97Å
301	G	89.8	Confident	89	Confident	20 Å²	20	68 Å²	68	21%	0.206	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	16.5	173.1	0	0	0	0	0	115.5	M297 D298 K299 K305	M297-G301 CarbonylContact O-C 3.58Å; M297-G301 PolarHBondContact O-N 3.35Å; M297-G301 VanDerWaalsContact O-N 3.11Å; D298-G301 PolarHBondContact O-N 3.23Å; K299-G301 VanDerWaalsContact C-N 3.27Å; K299-G301 PolarHBondContact O-N 2.99Å; G301-K305 WeakPolarHBondContact O-CG 3.43Å
302	Y	90.2	Very high	88.8	Confident	54 Å²	54	63.5 Å²	63.5	21%	0.212	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-43.2	177	-70.1	-70.9	0	0	0	112.3	Y296 M297 E300 K304 K305 A306 V372	Y296-Y302 HydrophobicContact CE1-CE2 4.18Å; M297-Y302 PolarHBondContact O-N 2.8Å; E300-Y302 HydrophobicContact CB-CD2 3.57Å; E300-Y302 HydrophobicContact CB-CE2 3.48Å; E300-Y302 VanDerWaalsContact CB-CE2 3.48Å; E300-Y302 HydrophobicContact CG-CE2 4.27Å; E300-Y302 PolarHBondContact O-N 2.97Å; Y302-K304 VanDerWaalsContact C-N 3.34Å; Y302-K304 PolarHBondContact O-N 3.15Å; Y302-K305 PolarHBondContact O-N 2.94Å; Y302-K305 VanDerWaalsContact O-N 3.14Å; Y302-A306 PolarHBondContact O-N 2.98Å; Y302-V372 HydrophobicContact CD1-CG1 3.88Å; Y302-V372 HydrophobicContact CD2-CG1 3.83Å; Y302-V372 HydrophobicContact CE1-CG1 4.41Å; Y302-V372 HydrophobicContact CE2-CG1 4.37Å; Y302-V372 HydrophobicContact CG-CG1 3.56Å
303	S	82.2	Confident	88.4	Confident	27 Å²	27	65.3 Å²	65.3	19%	0.189	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-43.3	-178.9	-49.9	0	0	0	0	112.4	M297 D298 K305 A306 K307	M297-S303 WeakPolarHBondContact CB-OG 3.37Å; M297-S303 PolarHBondContact O-N 3.42Å; D298-S303 WeakPolarHBondContact OD1-CB 3.46Å; D298-S303 PolarHBondContact OD1-OG 2.93Å; S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.7Å; S303-A306 PolarHBondContact O-N 3.09Å; S303-K307 PolarHBondContact O-N 3.31Å
304	K	81.5	Confident	88.3	Confident	182 Å²	182	65.7 Å²	65.7	79%	0.791	34%	0.342	S	S	*	.	H	α-helix	trans	-63.8	-37.6	178.6	-68.5	-178.2	-177.8	173.3	0	112.2	Y302	Y302-K304 VanDerWaalsContact C-N 3.34Å; Y302-K304 PolarHBondContact O-N 3.15Å
305	K	83.8	Confident	88.3	Confident	163 Å²	163	63.7 Å²	63.7	71%	0.709	33%	0.332	S	S	*	.	H	α-helix	trans	-72.7	-37.9	178.1	-69.4	175.5	-176	171	0	111.9	G301 Y302 S303	G301-K305 WeakPolarHBondContact O-CG 3.43Å; Y302-K305 PolarHBondContact O-N 2.94Å; Y302-K305 VanDerWaalsContact O-N 3.14Å; S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.7Å
306	A	81.6	Confident	88.3	Confident	9 Å²	9	62 Å²	62	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-70.4	-29.8	-176.7	0	0	0	0	0	113.6	Y302 S303 V308 I376	Y302-A306 PolarHBondContact O-N 2.98Å; S303-A306 PolarHBondContact O-N 3.09Å; A306-V308 PolarHBondContact O-N 3.21Å; A306-I376 HydrophobicContact CB-CD1 4.05Å; A306-I376 HydrophobicContact CB-CG1 4.01Å; A306-I376 HydrophobicContact CB-CG2 3.7Å
307	K	82.7	Confident	88.1	Confident	196 Å²	196	63.1 Å²	63.1	85%	0.852	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	27.6	-171.2	-59.8	-176.9	178.8	179.9	0	113.5	S303	S303-K307 PolarHBondContact O-N 3.31Å
308	V	82.2	Confident	88	Confident	34 Å²	34	63 Å²	63	21%	0.206	32%	0.318	C	S	.	.	S	Bend	trans	-137	141.9	176	-173.2	0	0	0	0	108.1	A306 A379 R380 E383	A306-V308 PolarHBondContact O-N 3.21Å; V308-A379 HydrophobicContact CB-CB 4.45Å; V308-A379 HydrophobicContact CG1-CB 3.64Å; V308-R380 HydrophobicContact CG2-CG 3.84Å; V308-E383 HydrophobicContact CG1-CG 3.8Å
309	S	84.7	Confident	88.2	Confident	95 Å²	95	58.2 Å²	58.2	66%	0.664	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-92.9	124.1	173.1	173.5	0	0	0	0	109.2	R382	S309-R382 PolarHBondContact O-NH2 3.33Å
310	A	87.8	Confident	88.3	Confident	11 Å²	11	50.9 Å²	50.9	9%	0.091	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-78.1	133.4	174.8	0	0	0	0	0	110.6	N294 M297 D314 I375	N294-A310 PolarHBondContact ND2-O 3.43Å; M297-A310 HydrophobicContact CE-CB 3.76Å; A310-D314 HydrophobicContact CB-CB 4.36Å; A310-I375 HydrophobicContact CB-CG2 3.62Å
311	T	89.7	Confident	88.5	Confident	48 Å²	48	46.8 Å²	46.8	29%	0.294	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-92.5	171.9	172.4	64.6	0	0	0	0	110.4	D313 D314 A315	T311-D313 PolarHBondContact O-N 2.85Å; T311-D314 WeakPolarHBondContact CB-OD2 3.45Å; T311-D314 PolarHBondContact N-OD2 3.11Å; T311-D314 PolarHBondContact O-N 2.86Å; T311-D314 PolarHBondContact OG1-N 2.99Å; T311-D314 PolarHBondContact OG1-OD1 3.16Å; T311-D314 PolarHBondContact OG1-OD2 2.94Å; T311-A315 PolarHBondContact O-N 3.45Å; T311-A315 VanDerWaalsContact O-N 3.13Å
312	G	88.8	Confident	88.9	Confident	15 Å²	15	45.8 Å²	45.8	16%	0.155	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-33.5	173.9	0	0	0	0	0	113.1	T290 A315 R316	T290-G312 WeakPolarHBondContact OG1-CA 3.49Å; G312-A315 PolarHBondContact O-N 3.18Å; G312-R316 VanDerWaalsContact C-NH1 3.3Å; G312-R316 WeakPolarHBondContact O-CG 3.43Å; G312-R316 PolarHBondContact O-N 3.37Å; G312-R316 PolarHBondContact O-NE 3.45Å; G312-R316 PolarHBondContact O-NH1 2.79Å; G312-R316 PolarHBondContact O-NH2 3.41Å
313	D	87.6	Confident	89.2	Confident	53 Å²	53	43.2 Å²	43.2	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-69.8	-40.5	177.4	-68.4	-39.2	0	0	0	111.7	T311 A315 R316 E317 R480	T311-D313 PolarHBondContact O-N 2.85Å; D313-A315 PolarHBondContact O-N 3.38Å; D313-R316 PolarHBondContact O-N 2.98Å; D313-R316 VanDerWaalsContact O-N 3.09Å; D313-R316 IonicContact OD1-CZ 3.12Å; D313-R316 IonicContact OD1-NH2 2.77Å; D313-R316 PolarHBondContact OD1-NH2 2.66Å; D313-E317 PolarHBondContact O-N 3.23Å; D313-E317 VanDerWaalsContact O-N 3.09Å; D313-R480 IonicContact OD1-CZ 3.48Å; D313-R480 IonicContact OD1-NH1 2.85Å; D313-R480 PolarHBondContact OD1-NH1 2.93Å
314	D	91.7	Very high	89.9	Confident	8 Å²	8	42 Å²	42	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-37.6	174.5	-54.7	-38.8	0	0	0	110.7	A310 T311 R316 I375 A378 A379 R382	A310-D314 HydrophobicContact CB-CB 4.36Å; T311-D314 WeakPolarHBondContact CB-OD2 3.45Å; T311-D314 PolarHBondContact N-OD2 3.11Å; T311-D314 PolarHBondContact O-N 2.86Å; T311-D314 PolarHBondContact OG1-N 2.99Å; T311-D314 PolarHBondContact OG1-OD1 3.16Å; T311-D314 PolarHBondContact OG1-OD2 2.94Å; D314-R316 VanDerWaalsContact C-N 3.31Å; D314-R316 PolarHBondContact O-N 3.13Å; D314-I375 HydrophobicContact CB-CG2 4.31Å; D314-A378 HydrophobicContact CB-CB 4.32Å; D314-A379 HydrophobicContact CB-CB 4.16Å; D314-R382 WeakPolarHBondContact OD1-CD 3.35Å; D314-R382 IonicContact OD1-NE 3.97Å; D314-R382 PolarHBondContact OD1-NE 2.9Å; D314-R382 IonicContact OD2-CZ 2.6Å; D314-R382 IonicContact OD2-NE 3.24Å; D314-R382 PolarHBondContact OD2-NE 2.84Å; D314-R382 IonicContact OD2-NH2 3.97Å; D314-R382 PolarHBondContact OD2-NH2 3.41Å; D314-R382 VanDerWaalsContact OD2-NH2 3.12Å
315	A	93.1	Very high	90.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-27.7	177.5	0	0	0	0	0	113.9	W258 L293 T311 G312 D313 I375	W258-A315 PolarHBondContact NE1-O 3.19Å; L293-A315 HydrophobicContact CD1-CB 3.92Å; T311-A315 PolarHBondContact O-N 3.45Å; T311-A315 VanDerWaalsContact O-N 3.13Å; G312-A315 PolarHBondContact O-N 3.18Å; D313-A315 PolarHBondContact O-N 3.38Å; A315-I375 HydrophobicContact CB-CD1 4.33Å
316	R	93.2	Very high	90.8	Very high	23 Å²	23	27.6 Å²	27.6	9%	0.087	15%	0.15	C	C	.	.	H	α-helix	trans	-103.1	0.9	-175.3	-65.2	-175.4	-59.5	-87.8	-2.8	113.8	E264 M289 T290 G312 D313 D314 G318 L319	E264-R316 HydrophobicContact CB-CB 4.43Å; E264-R316 VanDerWaalsContact CD-CD 3.5Å; E264-R316 HydrophobicContact CG-CB 3.98Å; E264-R316 VanDerWaalsContact OE1-CD 3.31Å; E264-R316 WeakPolarHBondContact OE1-CD 3.34Å; E264-R316 IonicContact OE1-NE 2.58Å; E264-R316 PolarHBondContact OE1-NE 3.46Å; E264-R316 WeakPolarHBondContact OE2-CB 3.48Å; E264-R316 IonicContact OE2-CZ 3.03Å; E264-R316 IonicContact OE2-NE 3.01Å; E264-R316 PolarHBondContact OE2-NE 2.91Å; M289-R316 HydrophobicContact SD-CG 3.87Å; T290-R316 PolarHBondContact OG1-NH1 3.06Å; G312-R316 VanDerWaalsContact C-NH1 3.3Å; G312-R316 WeakPolarHBondContact O-CG 3.43Å; G312-R316 PolarHBondContact O-N 3.37Å; G312-R316 PolarHBondContact O-NE 3.45Å; G312-R316 PolarHBondContact O-NH1 2.79Å; G312-R316 PolarHBondContact O-NH2 3.41Å; D313-R316 PolarHBondContact O-N 2.98Å; D313-R316 VanDerWaalsContact O-N 3.09Å; D313-R316 IonicContact OD1-CZ 3.12Å; D313-R316 IonicContact OD1-NH2 2.77Å; D313-R316 PolarHBondContact OD1-NH2 2.66Å; D314-R316 VanDerWaalsContact C-N 3.31Å; D314-R316 PolarHBondContact O-N 3.13Å; R316-G318 PolarHBondContact O-N 3.33Å; R316-L319 HydrophobicContact CB-CB 4.42Å; R316-L319 HydrophobicContact CB-CD2 4.18Å; R316-L319 HydrophobicContact CG-CD2 3.94Å; R316-L319 WeakPolarHBondContact O-CB 3.47Å; R316-L319 PolarHBondContact O-N 3.44Å; R316-L319 VanDerWaalsContact O-N 3.08Å
317	E	90.3	Very high	91.2	Very high	43 Å²	43	27.3 Å²	27.3	20%	0.201	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	122.7	176	-172.1	179.9	103.9	0	0	110.6	F262 D313 L319 K374 A378	F262-E317 HydrophobicContact CB-CG 4.35Å; F262-E317 HydrophobicContact CD1-CG 4.44Å; D313-E317 PolarHBondContact O-N 3.23Å; D313-E317 VanDerWaalsContact O-N 3.09Å; E317-L319 PolarHBondContact O-N 3.45Å; E317-K374 WeakPolarHBondContact O-CE 3.42Å; E317-A378 HydrophobicContact CB-CB 4.15Å; E317-A378 VanDerWaalsContact CD-CB 3.49Å; E317-A378 HydrophobicContact CG-CB 4.42Å; E317-A378 WeakPolarHBondContact OE2-CB 3.36Å
318	G	90.8	Very high	91.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	12.9	-177.9	0	0	0	0	0	114.5	W258 N259 G261 Q263 R316	W258-G318 WeakPolarHBondContact CA-O 3.47Å; N259-G318 VanDerWaalsContact CG-O 3.29Å; N259-G318 PolarHBondContact N-O 3.28Å; N259-G318 PolarHBondContact ND2-O 3.33Å; N259-G318 PolarHBondContact OD1-O 3.5Å; G261-G318 WeakPolarHBondContact O-CA 3.5Å; Q263-G318 CarbonylContact O-C 3.55Å; Q263-G318 WeakPolarHBondContact O-CA 3.46Å; Q263-G318 PolarHBondContact O-N 3.16Å; Q263-G318 VanDerWaalsContact O-N 3.14Å; R316-G318 PolarHBondContact O-N 3.33Å
319	L	95.4	Very high	91.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.2	178.3	178.9	70.9	0	0	0	110.8	L256 W258 N265 I266 F285 M289 R316 E317 A321	L256-L319 HydrophobicContact CB-CD1 3.98Å; L256-L319 HydrophobicContact CD1-CD1 3.89Å; L256-L319 HydrophobicContact CG-CD1 4.41Å; W258-L319 HydrophobicContact CD2-CD1 3.99Å; W258-L319 HydrophobicContact CE3-CD1 4.39Å; W258-L319 HydrophobicContact CG-CD1 4.44Å; W258-L319 HydrophobicContact CH2-CD1 4.36Å; W258-L319 HydrophobicContact CZ2-CD1 3.95Å; N265-L319 PolarHBondContact N-O 2.85Å; I266-L319 HydrophobicContact CD1-CD2 4.35Å; I266-L319 HydrophobicContact CG1-CD2 4.37Å; F285-L319 HydrophobicContact CE1-CD2 4.23Å; F285-L319 HydrophobicContact CZ-CD2 4.31Å; M289-L319 HydrophobicContact CE-CD1 4.15Å; M289-L319 HydrophobicContact CE-CD2 3.64Å; M289-L319 HydrophobicContact SD-CD2 3.51Å; M289-L319 VanDerWaalsContact SD-CD2 3.51Å; R316-L319 HydrophobicContact CB-CB 4.42Å; R316-L319 HydrophobicContact CB-CD2 4.18Å; R316-L319 HydrophobicContact CG-CD2 3.94Å; R316-L319 WeakPolarHBondContact O-CB 3.47Å; R316-L319 PolarHBondContact O-N 3.44Å; R316-L319 VanDerWaalsContact O-N 3.08Å; E317-L319 PolarHBondContact O-N 3.45Å; L319-A321 HydrophobicContact CD2-CB 4.45Å; L319-A321 HydrophobicContact CG-CB 4.37Å
320	I	95.5	Very high	91.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.7	158.5	-61.1	-168.6	0	0	0	108.5	V226 L229 N230 K233 L256 Q257 N265	V226-I320 HydrophobicContact CG1-CG2 4.32Å; L229-I320 HydrophobicContact CB-CD1 4.03Å; L229-I320 HydrophobicContact CB-CG2 3.75Å; L229-I320 HydrophobicContact CD1-CG2 3.83Å; L229-I320 HydrophobicContact CG-CG2 4.45Å; L229-I320 WeakPolarHBondContact O-CD1 3.5Å; N230-I320 WeakPolarHBondContact OD1-CD1 2.9Å; K233-I320 HydrophobicContact CD-CD1 3.95Å; L256-I320 CarbonylContact C-O 3.56Å; L256-I320 WeakPolarHBondContact CA-O 3.31Å; L256-I320 WeakPolarHBondContact CB-O 3.43Å; Q257-I320 PolarHBondContact N-O 2.76Å; Q257-I320 PolarHBondContact O-N 2.9Å; N265-I320 HydrophobicContact CB-CG1 4.3Å; N265-I320 VanDerWaalsContact O-CA 3.31Å; N265-I320 WeakPolarHBondContact O-CA 3.46Å
321	A	97.1	Very high	91.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.6	175.6	0	0	0	0	0	112.2	A255 L256 N265 I266 Y267 F285 L319	A255-A321 CarbonylContact O-C 3.52Å; A255-A321 VanDerWaalsContact O-CA 3.27Å; A255-A321 WeakPolarHBondContact O-CA 3.43Å; L256-A321 HydrophobicContact CB-CB 3.65Å; N265-A321 PolarHBondContact O-N 2.77Å; I266-A321 CarbonylContact C-O 3.52Å; I266-A321 WeakPolarHBondContact CA-O 3.36Å; I266-A321 HydrophobicContact CG1-CB 4.26Å; I266-A321 HydrophobicContact CG2-CB 4.26Å; Y267-A321 PolarHBondContact N-O 3.22Å; F285-A321 HydrophobicContact CE1-CB 4.08Å; F285-A321 HydrophobicContact CE2-CB 4.37Å; F285-A321 HydrophobicContact CZ-CB 3.54Å; L319-A321 HydrophobicContact CD2-CB 4.45Å; L319-A321 HydrophobicContact CG-CB 4.37Å
322	V	97.1	Very high	91.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.1	168	179	0	0	0	0	107.5	I222 F225 V226 L229 V254 A255 Y267 F269	I222-V322 HydrophobicContact CB-CB 4.19Å; I222-V322 HydrophobicContact CB-CG1 3.82Å; I222-V322 HydrophobicContact CD1-CG1 4.36Å; I222-V322 HydrophobicContact CG2-CG1 3.79Å; F225-V322 HydrophobicContact CB-CG2 4.33Å; F225-V322 HydrophobicContact CD1-CG1 4.2Å; F225-V322 HydrophobicContact CD1-CG2 3.83Å; F225-V322 HydrophobicContact CE1-CG2 4.35Å; F225-V322 HydrophobicContact CG-CG2 4.15Å; V226-V322 HydrophobicContact CG2-CB 4.3Å; V226-V322 HydrophobicContact CG2-CG2 3.85Å; L229-V322 HydrophobicContact CD1-CG2 3.95Å; V254-V322 WeakPolarHBondContact CA-O 3.33Å; A255-V322 PolarHBondContact N-O 2.92Å; A255-V322 PolarHBondContact O-N 2.89Å; Y267-V322 CarbonylContact O-C 3.56Å; Y267-V322 WeakPolarHBondContact O-CA 3.38Å; F269-V322 HydrophobicContact CD2-CG1 3.96Å; F269-V322 HydrophobicContact CE2-CG1 3.91Å
323	V	97.3	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105.4	179.2	-177.5	0	0	0	0	107.7	V254 I266 Y267 C268 F269 H281 F285	V254-V323 HydrophobicContact CG2-CG1 4.22Å; V254-V323 HydrophobicContact CG2-CG2 4.48Å; I266-V323 HydrophobicContact CG2-CG2 4.13Å; Y267-V323 PolarHBondContact O-N 3.33Å; C268-V323 CarbonylContact C-O 2.94Å; C268-V323 WeakPolarHBondContact CA-O 3.37Å; F269-V323 PolarHBondContact N-O 2.8Å; H281-V323 HydrophobicContact CB-CG1 4.33Å; F285-V323 HydrophobicContact CB-CG2 4.19Å; F285-V323 HydrophobicContact CD1-CG2 4.15Å; F285-V323 HydrophobicContact CD2-CG2 3.7Å; F285-V323 HydrophobicContact CE1-CG2 4.47Å; F285-V323 HydrophobicContact CE2-CG2 4.04Å; F285-V323 HydrophobicContact CG-CG2 3.75Å; F285-V323 HydrophobicContact CZ-CG2 4.38Å
324	S	95.6	Very high	91.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.5	-179.1	179.3	0	0	0	0	109.5	E253 F269	E253-S324 PolarHBondContact N-O 2.92Å; E253-S324 PolarHBondContact O-N 3.41Å; E253-S324 VanDerWaalsContact O-O 3.1Å; F269-S324 WeakPolarHBondContact O-CA 3.25Å
325	V	94.6	Very high	90.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144	175.3	-60.7	0	0	0	0	111	G251 F269 T270 N271 H281 V327 L340 V345 V349	G251-V325 CarbonylContact O-C 3.6Å; G251-V325 VanDerWaalsContact O-CA 3.24Å; G251-V325 WeakPolarHBondContact O-CA 3.39Å; F269-V325 WeakPolarHBondContact O-CG2 3.46Å; F269-V325 PolarHBondContact O-N 3.32Å; T270-V325 CarbonylContact C-O 3.57Å; T270-V325 WeakPolarHBondContact CA-O 3.32Å; T270-V325 HydrophobicContact CG2-CG2 4.01Å; N271-V325 PolarHBondContact N-O 2.76Å; H281-V325 HydrophobicContact CB-CG1 4.1Å; H281-V325 HydrophobicContact CB-CG2 4.43Å; V325-V327 HydrophobicContact CB-CG2 4.22Å; V325-V327 HydrophobicContact CG2-CG2 3.93Å; V325-L340 HydrophobicContact CG2-CD2 4.29Å; V325-V345 HydrophobicContact CB-CG1 4.42Å; V325-V345 HydrophobicContact CG1-CG1 4.09Å; V325-V345 HydrophobicContact CG2-CG1 4.18Å; V325-V349 HydrophobicContact CG1-CG2 3.74Å
326	K	91	Very high	89.1	Confident	42 Å²	42	33 Å²	33	18%	0.183	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109	175.9	-58.8	-64.4	-178.5	165.4	0	107.6	V111 I250 G251 N271 N272	V111-K326 HydrophobicContact CG1-CB 3.99Å; V111-K326 HydrophobicContact CG1-CD 4.03Å; V111-K326 HydrophobicContact CG2-CB 4.26Å; I250-K326 WeakPolarHBondContact CA-O 3.46Å; G251-K326 PolarHBondContact N-O 2.89Å; G251-K326 PolarHBondContact O-N 3.22Å; N271-K326 VanDerWaalsContact OD1-CA 3.31Å; N271-K326 WeakPolarHBondContact OD1-CA 3.48Å; N272-K326 PolarHBondContact OD1-NZ 3.34Å
327	V	90	Very high	88.7	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.024	18%	0.177	C	C	.	.			trans	-124.1	128.4	-170	-175	0	0	0	0	108.9	I250 T270 N271 V325 P330 V345	I250-V327 HydrophobicContact CG2-CG2 4.03Å; T270-V327 HydrophobicContact CG2-CB 4.41Å; T270-V327 HydrophobicContact CG2-CG2 4.15Å; N271-V327 PolarHBondContact ND2-O 2.98Å; N271-V327 PolarHBondContact OD1-N 2.86Å; N271-V327 PolarHBondContact OD1-O 2.8Å; V325-V327 HydrophobicContact CB-CG2 4.22Å; V325-V327 HydrophobicContact CG2-CG2 3.93Å; V327-P330 HydrophobicContact CB-CB 4.06Å; V327-P330 HydrophobicContact CB-CG 4.18Å; V327-P330 HydrophobicContact CG1-CB 4.1Å; V327-P330 HydrophobicContact CG1-CG 4.46Å; V327-P330 WeakPolarHBondContact O-CD 3.36Å; V327-V345 HydrophobicContact CG1-CG2 4.32Å; V327-V345 HydrophobicContact CG2-CG2 3.72Å
328	P	82	Confident	88.4	Confident	80 Å²	80	32.4 Å²	32.4	52%	0.519	18%	0.178	S	C	.	.	S	Bend	trans	-61.5	-45.6	179.4	-26.9	35.6	0	0	0	114.4
329	D	82.7	Confident	88.4	Confident	102 Å²	102	36.9 Å²	36.9	55%	0.545	20%	0.197	S	C	.	.	S	Bend	trans	-128.6	73.8	179.9	-179	35.9	0	0	0	111.2
330	P	88.6	Confident	88.4	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.039	20%	0.198	C	C	.	.			trans	-75.6	135.4	-178.2	16.4	-6.8	0	0	0	111.9	L115 T270 V327 F332 L340	L115-P330 HydrophobicContact CD1-CG 3.94Å; L115-P330 WeakPolarHBondContact CD1-O 3.47Å; L115-P330 HydrophobicContact CD2-CG 4Å; T270-P330 HydrophobicContact CG2-CB 3.68Å; T270-P330 HydrophobicContact CG2-CG 4.06Å; V327-P330 HydrophobicContact CB-CB 4.06Å; V327-P330 HydrophobicContact CB-CG 4.18Å; V327-P330 HydrophobicContact CG1-CB 4.1Å; V327-P330 HydrophobicContact CG1-CG 4.46Å; V327-P330 WeakPolarHBondContact O-CD 3.36Å; P330-F332 HydrophobicContact CB-CE2 3.89Å; P330-F332 HydrophobicContact CB-CZ 3.93Å; P330-F332 HydrophobicContact CG-CE2 4.19Å; P330-F332 HydrophobicContact CG-CZ 4.36Å; P330-L340 HydrophobicContact CB-CD1 4.12Å
331	K	90	Very high	88.5	Confident	113 Å²	113	40.2 Å²	40.2	49%	0.491	22%	0.218	S	C	.	.			trans	-105.2	129.7	176.9	-63.9	172.3	-173.8	165.8	0	110.3	V341 S342	K331-V341 HydrophobicContact CB-CG2 3.91Å; K331-V341 VanDerWaalsContact O-CG2 3.23Å; K331-V341 WeakPolarHBondContact O-CG2 3.17Å; K331-V341 PolarHBondContact O-N 2.9Å; K331-S342 PolarHBondContact N-OG 2.81Å; K331-S342 PolarHBondContact O-N 2.81Å
332	F	89.4	Confident	88.3	Confident	35 Å²	35	40.3 Å²	40.3	15%	0.154	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-115.4	159.6	178.6	-58.1	-81.2	0	0	0	112.2	L115 T270 Q275 P330 S334 K337 K339 L340	L115-F332 HydrophobicContact CD1-CD2 4.46Å; L115-F332 HydrophobicContact CD1-CE2 3.98Å; T270-F332 HydrophobicContact CG2-CE1 4.38Å; T270-F332 HydrophobicContact CG2-CZ 3.97Å; Q275-F332 HydrophobicContact CG-CE1 4.24Å; P330-F332 HydrophobicContact CB-CE2 3.89Å; P330-F332 HydrophobicContact CB-CZ 3.93Å; P330-F332 HydrophobicContact CG-CE2 4.19Å; P330-F332 HydrophobicContact CG-CZ 4.36Å; F332-S334 VanDerWaalsContact C-N 3.26Å; F332-S334 PolarHBondContact O-N 2.63Å; F332-K337 HydrophobicContact CB-CB 4.31Å; F332-K337 HydrophobicContact CB-CG 4.44Å; F332-K337 HydrophobicContact CD1-CB 3.77Å; F332-K337 HydrophobicContact CD1-CG 4.44Å; F332-K337 HydrophobicContact CD2-CB 4.01Å; F332-K337 HydrophobicContact CD2-CD 4.2Å; F332-K337 HydrophobicContact CD2-CG 3.76Å; F332-K337 HydrophobicContact CE1-CB 4.04Å; F332-K337 HydrophobicContact CE2-CB 4.25Å; F332-K337 HydrophobicContact CE2-CD 4.02Å; F332-K337 HydrophobicContact CE2-CG 4.06Å; F332-K337 HydrophobicContact CG-CB 3.76Å; F332-K337 HydrophobicContact CG-CG 3.96Å; F332-K337 HydrophobicContact CZ-CB 4.27Å; F332-K337 HydrophobicContact CZ-CD 4.47Å; F332-K339 VanDerWaalsContact CA-O 3.32Å; F332-K339 WeakPolarHBondContact CA-O 3.3Å; F332-L340 HydrophobicContact CD1-CD1 4.31Å; F332-L340 HydrophobicContact CE1-CD1 3.95Å; F332-L340 HydrophobicContact CZ-CD1 4.42Å
333	S	86.9	Confident	88.1	Confident	70 Å²	70	44.6 Å²	44.6	49%	0.49	25%	0.248	S	C	.	.	S	Bend	trans	-69	-22.1	177.6	57.9	0	0	0	0	114.4	K339	S333-K339 PolarHBondContact N-O 2.85Å; S333-K339 VanDerWaalsContact N-O 3.07Å; S333-K339 WeakPolarHBondContact OG-CB 3.14Å
334	S	80.5	Confident	88	Confident	51 Å²	51	48.6 Å²	48.6	36%	0.357	27%	0.267	S	S	.	.	S	Bend	trans	-156.2	167	-173.6	57.3	0	0	0	0	110.1	F332 T336 K337	F332-S334 VanDerWaalsContact C-N 3.26Å; F332-S334 PolarHBondContact O-N 2.63Å; S334-T336 PolarHBondContact O-N 2.62Å; S334-T336 PolarHBondContact OG-OG1 3.48Å; S334-K337 PolarHBondContact O-N 3.36Å; S334-K337 VanDerWaalsContact O-N 3.09Å
335	Q	72.7	Confident	88	Confident	66 Å²	66	48.5 Å²	48.5	31%	0.308	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.8	175.2	179.1	56.1	26.5	0	0	113	K337	Q335-K337 WeakPolarHBondContact O-CG 3.45Å; Q335-K337 PolarHBondContact O-N 3.03Å
336	T	70.5	Confident	88.1	Confident	56 Å²	56	52.8 Å²	52.8	34%	0.344	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.1	174	56.2	0	0	0	0	113.2	S334 D338	S334-T336 PolarHBondContact O-N 2.62Å; S334-T336 PolarHBondContact OG-OG1 3.48Å; T336-D338 WeakPolarHBondContact CB-OD2 3.5Å; T336-D338 PolarHBondContact O-N 2.85Å; T336-D338 PolarHBondContact OG1-OD2 3.45Å
337	K	84	Confident	88.3	Confident	11 Å²	11	53.4 Å²	53.4	5%	0.048	30%	0.295	C	S	.	.			trans	60.8	25.2	174.3	-49.4	176.2	-163.6	160.3	0	114.8	G113 I273 F332 S334 Q335 K339	G113-K337 PolarHBondContact O-NZ 2.72Å; I273-K337 HydrophobicContact CD1-CD 3.52Å; I273-K337 HydrophobicContact CG2-CB 3.94Å; I273-K337 HydrophobicContact CG2-CD 4.09Å; F332-K337 HydrophobicContact CB-CB 4.31Å; F332-K337 HydrophobicContact CB-CG 4.44Å; F332-K337 HydrophobicContact CD1-CB 3.77Å; F332-K337 HydrophobicContact CD1-CG 4.44Å; F332-K337 HydrophobicContact CD2-CB 4.01Å; F332-K337 HydrophobicContact CD2-CD 4.2Å; F332-K337 HydrophobicContact CD2-CG 3.76Å; F332-K337 HydrophobicContact CE1-CB 4.04Å; F332-K337 HydrophobicContact CE2-CB 4.25Å; F332-K337 HydrophobicContact CE2-CD 4.02Å; F332-K337 HydrophobicContact CE2-CG 4.06Å; F332-K337 HydrophobicContact CG-CB 3.76Å; F332-K337 HydrophobicContact CG-CG 3.96Å; F332-K337 HydrophobicContact CZ-CB 4.27Å; F332-K337 HydrophobicContact CZ-CD 4.47Å; S334-K337 PolarHBondContact O-N 3.36Å; S334-K337 VanDerWaalsContact O-N 3.09Å; Q335-K337 WeakPolarHBondContact O-CG 3.45Å; Q335-K337 PolarHBondContact O-N 3.03Å; K337-K339 VanDerWaalsContact C-N 3.31Å; K337-K339 PolarHBondContact O-N 3.25Å
338	D	84.2	Confident	88.6	Confident	42 Å²	42	53.3 Å²	53.3	23%	0.225	29%	0.294	C	S	.	.			trans	-68.3	-24.4	-175.4	-68.7	-59.6	0	0	0	114.5	Q275 R276 D277 T336	Q275-D338 CarbonylContact C-O 3.59Å; Q275-D338 VanDerWaalsContact C-O 3.28Å; Q275-D338 VanDerWaalsContact CA-O 3.24Å; Q275-D338 WeakPolarHBondContact CA-O 3.36Å; Q275-D338 WeakPolarHBondContact CB-O 3.15Å; R276-D338 PolarHBondContact N-O 3.15Å; D277-D338 PolarHBondContact N-O 2.86Å; T336-D338 WeakPolarHBondContact CB-OD2 3.5Å; T336-D338 PolarHBondContact O-N 2.85Å; T336-D338 PolarHBondContact OG1-OD2 3.45Å
339	K	92.3	Very high	89.3	Confident	94 Å²	94	49.5 Å²	49.5	41%	0.409	27%	0.269	S	S	.	.	S	Bend	trans	-136.4	126.6	-179.3	-167	176.4	-178.1	170.3	0	113	D277 G278 F332 S333 K337	D277-K339 HydrophobicContact CB-CB 3.97Å; D277-K339 HydrophobicContact CB-CD 4.35Å; D277-K339 HydrophobicContact CB-CG 4.25Å; G278-K339 VanDerWaalsContact O-CA 3.32Å; G278-K339 WeakPolarHBondContact O-CA 3.43Å; F332-K339 VanDerWaalsContact CA-O 3.32Å; F332-K339 WeakPolarHBondContact CA-O 3.3Å; S333-K339 PolarHBondContact N-O 2.85Å; S333-K339 VanDerWaalsContact N-O 3.07Å; S333-K339 WeakPolarHBondContact OG-CB 3.14Å; K337-K339 VanDerWaalsContact C-N 3.31Å; K337-K339 PolarHBondContact O-N 3.25Å
340	L	95.3	Very high	90	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-79.7	128.9	174.3	-175.1	70.2	0	0	0	111.1	T270 Q275 G278 G279 T280 H281 V325 P330 F332 V345	T270-L340 HydrophobicContact CG2-CD1 4.03Å; Q275-L340 HydrophobicContact CG-CB 4.27Å; G278-L340 PolarHBondContact O-N 2.85Å; G278-L340 VanDerWaalsContact O-N 3.09Å; G279-L340 WeakPolarHBondContact CA-O 3.44Å; T280-L340 PolarHBondContact N-O 3.04Å; T280-L340 WeakPolarHBondContact OG1-CD2 3.35Å; T280-L340 WeakPolarHBondContact OG1-CG 3.22Å; H281-L340 HydrophobicContact CB-CD2 4.14Å; V325-L340 HydrophobicContact CG2-CD2 4.29Å; P330-L340 HydrophobicContact CB-CD1 4.12Å; F332-L340 HydrophobicContact CD1-CD1 4.31Å; F332-L340 HydrophobicContact CE1-CD1 3.95Å; F332-L340 HydrophobicContact CZ-CD1 4.42Å; L340-V345 HydrophobicContact CD2-CB 4.11Å; L340-V345 HydrophobicContact CD2-CG1 3.79Å; L340-V345 HydrophobicContact CD2-CG2 4.15Å
341	V	95.9	Very high	90.3	Very high	71 Å²	71	50.1 Å²	50.1	43%	0.43	27%	0.268	S	S	.	.			trans	-119.5	-1.3	-179.7	-59.7	0	0	0	0	114.2	K331 S343	K331-V341 HydrophobicContact CB-CG2 3.91Å; K331-V341 VanDerWaalsContact O-CG2 3.23Å; K331-V341 WeakPolarHBondContact O-CG2 3.17Å; K331-V341 PolarHBondContact O-N 2.9Å; V341-S343 PolarHBondContact O-N 3.29Å; V341-S343 VanDerWaalsContact O-N 3.1Å
342	S	93.9	Very high	90.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	25%	0.249	C	C	.	.			trans	-58	110.1	172	-74.4	0	0	0	0	111.7	T280 K331 E344 V345	T280-S342 WeakPolarHBondContact CB-O 3.49Å; T280-S342 WeakPolarHBondContact CG2-O 3.34Å; T280-S342 PolarHBondContact OG1-O 3.27Å; K331-S342 PolarHBondContact N-OG 2.81Å; K331-S342 PolarHBondContact O-N 2.81Å; S342-E344 VanDerWaalsContact CB-OE1 3.3Å; S342-E344 WeakPolarHBondContact CB-OE1 3.28Å; S342-E344 PolarHBondContact O-N 3.14Å; S342-E344 PolarHBondContact OG-OE1 2.93Å; S342-V345 PolarHBondContact O-N 3.01Å
343	S	93.4	Very high	91	Very high	90 Å²	90	44 Å²	44	63%	0.629	24%	0.242	S	C	*	.	H	α-helix	trans	-66.2	-37	-171.2	50.1	0	0	0	0	114.2	V341 V345 K346	V341-S343 PolarHBondContact O-N 3.29Å; V341-S343 VanDerWaalsContact O-N 3.1Å; S343-V345 VanDerWaalsContact C-N 3.26Å; S343-V345 PolarHBondContact O-N 3.23Å; S343-K346 WeakPolarHBondContact O-CB 3.35Å; S343-K346 PolarHBondContact O-N 3.08Å
344	E	94.6	Very high	91.4	Very high	84 Å²	84	42.9 Å²	42.9	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-34	-179.8	54.9	-79.3	-177.4	0	0	112	I250 S342 K346 S347 A348	I250-E344 HydrophobicContact CD1-CB 4.34Å; I250-E344 HydrophobicContact CD1-CG 4.02Å; S342-E344 VanDerWaalsContact CB-OE1 3.3Å; S342-E344 WeakPolarHBondContact CB-OE1 3.28Å; S342-E344 PolarHBondContact O-N 3.14Å; S342-E344 PolarHBondContact OG-OE1 2.93Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.39Å; E344-S347 PolarHBondContact O-N 2.73Å; E344-A348 PolarHBondContact O-N 3.01Å
345	V	96	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-36.3	178.9	-180	0	0	0	0	111.6	I250 H281 V325 V327 L340 S342 S343 S347 A348 V349	I250-V345 HydrophobicContact CD1-CG2 4.13Å; H281-V345 HydrophobicContact CB-CG1 3.86Å; V325-V345 HydrophobicContact CB-CG1 4.42Å; V325-V345 HydrophobicContact CG1-CG1 4.09Å; V325-V345 HydrophobicContact CG2-CG1 4.18Å; V327-V345 HydrophobicContact CG1-CG2 4.32Å; V327-V345 HydrophobicContact CG2-CG2 3.72Å; L340-V345 HydrophobicContact CD2-CB 4.11Å; L340-V345 HydrophobicContact CD2-CG1 3.79Å; L340-V345 HydrophobicContact CD2-CG2 4.15Å; S342-V345 PolarHBondContact O-N 3.01Å; S343-V345 VanDerWaalsContact C-N 3.26Å; S343-V345 PolarHBondContact O-N 3.23Å; V345-S347 VanDerWaalsContact C-N 3.35Å; V345-S347 PolarHBondContact O-N 3.31Å; V345-A348 PolarHBondContact O-N 3.5Å; V345-V349 HydrophobicContact CG1-CG2 4.03Å; V345-V349 WeakPolarHBondContact O-CG2 2.98Å; V345-V349 PolarHBondContact O-N 3.39Å
346	K	96.2	Very high	93.3	Very high	90 Å²	90	44.3 Å²	44.3	39%	0.391	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-50	178.4	-177.3	-174.5	172.2	-172.4	0	110.7	T280 S343 E344 E350	T280-K346 WeakPolarHBondContact O-CA 3.49Å; S343-K346 WeakPolarHBondContact O-CB 3.35Å; S343-K346 PolarHBondContact O-N 3.08Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.39Å; K346-E350 WeakPolarHBondContact CE-OE2 3.46Å; K346-E350 WeakPolarHBondContact O-CB 3.28Å; K346-E350 PolarHBondContact O-N 2.65Å
347	S	95.7	Very high	94.6	Very high	55 Å²	55	41.6 Å²	41.6	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-65.7	-42.7	-177.5	-175.6	0	0	0	0	111.6	E344 V345 E350 Q351	E344-S347 PolarHBondContact O-N 2.73Å; V345-S347 VanDerWaalsContact C-N 3.35Å; V345-S347 PolarHBondContact O-N 3.31Å; S347-E350 PolarHBondContact O-N 3.07Å; S347-Q351 WeakPolarHBondContact O-CB 3.32Å; S347-Q351 VanDerWaalsContact O-CG 3.28Å; S347-Q351 WeakPolarHBondContact O-CG 3.47Å; S347-Q351 PolarHBondContact O-N 2.94Å; S347-Q351 PolarHBondContact OG-NE2 2.85Å
348	A	96.1	Very high	95.1	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-51.9	178.5	0	0	0	0	0	111.7	K247 I250 V252 E344 V345 E350 Q351 Q352	K247-A348 HydrophobicContact CB-CB 4.24Å; K247-A348 HydrophobicContact CG-CB 4.18Å; I250-A348 HydrophobicContact CB-CB 4.42Å; I250-A348 HydrophobicContact CD1-CB 4.1Å; V252-A348 HydrophobicContact CG2-CB 4.46Å; E344-A348 PolarHBondContact O-N 3.01Å; V345-A348 PolarHBondContact O-N 3.5Å; A348-E350 PolarHBondContact O-N 2.93Å; A348-Q351 PolarHBondContact O-N 3.3Å; A348-Q352 WeakPolarHBondContact O-CG 3.42Å; A348-Q352 PolarHBondContact O-N 3.44Å
349	V	97.2	Very high	95.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-45.1	178.1	175.5	0	0	0	0	111	V252 H281 F285 V325 V345 Q351 M353	V252-V349 HydrophobicContact CG1-CG2 4.03Å; V252-V349 HydrophobicContact CG2-CG2 4.13Å; H281-V349 HydrophobicContact CB-CG2 4.22Å; F285-V349 HydrophobicContact CB-CG1 4.06Å; V325-V349 HydrophobicContact CG1-CG2 3.74Å; V345-V349 HydrophobicContact CG1-CG2 4.03Å; V345-V349 WeakPolarHBondContact O-CG2 2.98Å; V345-V349 PolarHBondContact O-N 3.39Å; V349-Q351 PolarHBondContact O-N 2.9Å; V349-M353 WeakPolarHBondContact O-CB 3.37Å; V349-M353 PolarHBondContact O-N 3.27Å
350	E	96.5	Very high	95.9	Very high	38 Å²	38	41.9 Å²	41.9	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-42.1	-177.2	-173.5	171.2	173	0	0	112.5	A288 R291 K346 S347 A348 N354	A288-E350 HydrophobicContact CB-CG 4.24Å; A288-E350 WeakPolarHBondContact CB-O 3.25Å; R291-E350 IonicContact CZ-OE1 3.15Å; R291-E350 IonicContact NH1-OE1 3.71Å; R291-E350 PolarHBondContact NH1-OE1 3.14Å; R291-E350 VanDerWaalsContact NH2-CD 3.3Å; R291-E350 IonicContact NH2-OE1 3.94Å; R291-E350 PolarHBondContact NH2-OE1 3.07Å; K346-E350 WeakPolarHBondContact CE-OE2 3.46Å; K346-E350 WeakPolarHBondContact O-CB 3.28Å; K346-E350 PolarHBondContact O-N 2.65Å; S347-E350 PolarHBondContact O-N 3.07Å; A348-E350 PolarHBondContact O-N 2.93Å; E350-N354 WeakPolarHBondContact O-CB 3.38Å; E350-N354 PolarHBondContact O-N 3.32Å; E350-N354 VanDerWaalsContact O-N 3.09Å; E350-N354 PolarHBondContact O-ND2 2.68Å
351	Q	95.7	Very high	95.9	Very high	83 Å²	83	41.9 Å²	41.9	39%	0.388	22%	0.224	S	C	.	.	H	α-helix	trans	-66.9	-51.8	178.2	-72.5	176.7	16.6	0	0	112.1	S347 A348 V349 M353 N354 E355	S347-Q351 WeakPolarHBondContact O-CB 3.32Å; S347-Q351 VanDerWaalsContact O-CG 3.28Å; S347-Q351 WeakPolarHBondContact O-CG 3.47Å; S347-Q351 PolarHBondContact O-N 2.94Å; S347-Q351 PolarHBondContact OG-NE2 2.85Å; A348-Q351 PolarHBondContact O-N 3.3Å; V349-Q351 PolarHBondContact O-N 2.9Å; Q351-M353 VanDerWaalsContact C-N 3.34Å; Q351-M353 PolarHBondContact O-N 2.99Å; Q351-N354 PolarHBondContact O-N 2.74Å; Q351-E355 PolarHBondContact O-N 3.21Å; Q351-E355 VanDerWaalsContact O-N 3.17Å
352	Q	96.4	Very high	95.9	Very high	19 Å²	19	43.1 Å²	43.1	9%	0.089	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-41.4	-177.9	-65	-59.2	-73.8	0	0	111.7	F243 T245 K247 A348 N354 E355 L356	F243-Q352 HydrophobicContact CE2-CB 4.07Å; F243-Q352 HydrophobicContact CZ-CB 4.34Å; T245-Q352 HydrophobicContact CG2-CB 3.87Å; T245-Q352 HydrophobicContact CG2-CG 3.6Å; T245-Q352 PolarHBondContact OG1-OE1 2.83Å; K247-Q352 HydrophobicContact CB-CG 3.98Å; K247-Q352 HydrophobicContact CG-CG 4.45Å; A348-Q352 WeakPolarHBondContact O-CG 3.42Å; A348-Q352 PolarHBondContact O-N 3.44Å; Q352-N354 PolarHBondContact O-N 2.86Å; Q352-E355 PolarHBondContact O-N 3.41Å; Q352-L356 HydrophobicContact CB-CD1 4.49Å; Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 WeakPolarHBondContact O-CG 3.37Å; Q352-L356 PolarHBondContact O-N 2.85Å
353	M	96.6	Very high	95.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-38	176.8	-170.6	76.2	-119.5	0	0	112.2	F241 F243 V254 L256 F285 A288 V349 Q351 L357	F241-M353 HydrophobicContact CD1-CE 4.05Å; F241-M353 HydrophobicContact CE1-CE 3.16Å; F241-M353 HydrophobicContact CE1-SD 4.18Å; F241-M353 HydrophobicContact CZ-CE 3.54Å; F243-M353 HydrophobicContact CE1-CE 4.19Å; F243-M353 HydrophobicContact CE1-SD 3.81Å; F243-M353 HydrophobicContact CZ-SD 4.25Å; V254-M353 HydrophobicContact CG1-SD 4.05Å; L256-M353 HydrophobicContact CD2-CE 4.03Å; F285-M353 HydrophobicContact CD2-CG 4.24Å; F285-M353 HydrophobicContact CD2-SD 3.61Å; F285-M353 HydrophobicContact CE2-SD 3.7Å; A288-M353 HydrophobicContact CB-CB 3.63Å; A288-M353 HydrophobicContact CB-CG 3.66Å; V349-M353 WeakPolarHBondContact O-CB 3.37Å; V349-M353 PolarHBondContact O-N 3.27Å; Q351-M353 VanDerWaalsContact C-N 3.34Å; Q351-M353 PolarHBondContact O-N 2.99Å; M353-L357 HydrophobicContact CE-CB 3.58Å; M353-L357 HydrophobicContact CE-CD1 4.09Å; M353-L357 HydrophobicContact CE-CD2 3.82Å; M353-L357 HydrophobicContact CE-CG 4.01Å; M353-L357 WeakPolarHBondContact O-CB 3.3Å; M353-L357 PolarHBondContact O-N 3.01Å
354	N	95.6	Very high	96	Very high	48 Å²	48	47.8 Å²	47.8	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-47.4	177.4	-76.7	-33.7	0	0	0	111.7	A288 T292 E350 Q351 Q352 A358	A288-N354 WeakPolarHBondContact CA-OD1 3.37Å; A288-N354 VanDerWaalsContact CB-OD1 3.24Å; A288-N354 WeakPolarHBondContact CB-OD1 3.45Å; A288-N354 PolarHBondContact O-OD1 2.91Å; T292-N354 WeakPolarHBondContact OG1-CA 3.35Å; T292-N354 PolarHBondContact OG1-OD1 3.09Å; E350-N354 WeakPolarHBondContact O-CB 3.38Å; E350-N354 PolarHBondContact O-N 3.32Å; E350-N354 VanDerWaalsContact O-N 3.09Å; E350-N354 PolarHBondContact O-ND2 2.68Å; Q351-N354 PolarHBondContact O-N 2.74Å; Q352-N354 PolarHBondContact O-N 2.86Å; N354-A358 VanDerWaalsContact O-CB 3.3Å; N354-A358 WeakPolarHBondContact O-CB 3.11Å; N354-A358 PolarHBondContact O-N 2.92Å
355	E	96.1	Very high	96	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-67.3	-59.4	-176.5	-179	172.5	-165.9	0	0	111.2	Q351 Q352 L357 A358 E359	Q351-E355 PolarHBondContact O-N 3.21Å; Q351-E355 VanDerWaalsContact O-N 3.17Å; Q352-E355 PolarHBondContact O-N 3.41Å; E355-L357 PolarHBondContact O-N 3.42Å; E355-A358 WeakPolarHBondContact O-CB 3.42Å; E355-A358 PolarHBondContact O-N 2.59Å; E355-A358 VanDerWaalsContact O-N 3.13Å; E355-E359 PolarHBondContact O-N 2.58Å; E355-E359 VanDerWaalsContact O-N 3.08Å
356	L	97.2	Very high	96	Very high	41 Å²	41	52 Å²	52	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-71	-31.9	-171.6	-62.9	168.2	0	0	0	112.5	F241 F243 T245 Q352 Y360	F241-L356 WeakPolarHBondContact CE2-O 3.13Å; F241-L356 HydrophobicContact CZ-CB 4.31Å; F243-L356 HydrophobicContact CB-CD1 3.75Å; F243-L356 HydrophobicContact CD1-CB 4.16Å; F243-L356 HydrophobicContact CD1-CD1 3.99Å; F243-L356 HydrophobicContact CD2-CD1 3.39Å; F243-L356 HydrophobicContact CE1-CD1 4.41Å; F243-L356 HydrophobicContact CE2-CD1 3.9Å; F243-L356 HydrophobicContact CG-CB 4.37Å; F243-L356 HydrophobicContact CG-CD1 3.44Å; F243-L356 VanDerWaalsContact CG-CD1 3.44Å; F243-L356 HydrophobicContact CZ-CD1 4.38Å; T245-L356 HydrophobicContact CG2-CD1 4.29Å; Q352-L356 HydrophobicContact CB-CD1 4.49Å; Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 WeakPolarHBondContact O-CG 3.37Å; Q352-L356 PolarHBondContact O-N 2.85Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.77Å
357	L	96.7	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-38.1	172.8	-174.4	59.5	0	0	0	111.8	F241 T292 L293 M353 E355 E359 Y360 L361	F241-L357 HydrophobicContact CD2-CD1 4.17Å; F241-L357 HydrophobicContact CE1-CD1 4.49Å; F241-L357 HydrophobicContact CE2-CB 4.37Å; F241-L357 HydrophobicContact CE2-CD1 4.08Å; F241-L357 HydrophobicContact CG-CD1 4.38Å; F241-L357 HydrophobicContact CZ-CB 4.1Å; F241-L357 HydrophobicContact CZ-CD1 4.21Å; T292-L357 HydrophobicContact CG2-CB 4Å; T292-L357 HydrophobicContact CG2-CD2 3.97Å; T292-L357 HydrophobicContact CG2-CG 3.9Å; L293-L357 HydrophobicContact CG-CD2 4.44Å; M353-L357 HydrophobicContact CE-CB 3.58Å; M353-L357 HydrophobicContact CE-CD1 4.09Å; M353-L357 HydrophobicContact CE-CD2 3.82Å; M353-L357 HydrophobicContact CE-CG 4.01Å; M353-L357 WeakPolarHBondContact O-CB 3.3Å; M353-L357 PolarHBondContact O-N 3.01Å; E355-L357 PolarHBondContact O-N 3.42Å; L357-E359 VanDerWaalsContact C-N 3.32Å; L357-Y360 HydrophobicContact CD1-CD1 4.26Å; L357-Y360 PolarHBondContact O-N 3.07Å; L357-L361 HydrophobicContact CD1-CG 4.35Å; L357-L361 HydrophobicContact CG-CD1 4.15Å; L357-L361 HydrophobicContact CG-CG 4.41Å; L357-L361 WeakPolarHBondContact O-CG 3.2Å; L357-L361 PolarHBondContact O-N 3.09Å
358	A	96.3	Very high	95.9	Very high	39 Å²	39	45.4 Å²	45.4	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-64.7	-40.7	178	0	0	0	0	0	111	T292 N354 E355 L362	T292-A358 HydrophobicContact CG2-CB 3.94Å; N354-A358 VanDerWaalsContact O-CB 3.3Å; N354-A358 WeakPolarHBondContact O-CB 3.11Å; N354-A358 PolarHBondContact O-N 2.92Å; E355-A358 WeakPolarHBondContact O-CB 3.42Å; E355-A358 PolarHBondContact O-N 2.59Å; E355-A358 VanDerWaalsContact O-N 3.13Å; A358-L362 WeakPolarHBondContact O-CG 3.39Å; A358-L362 PolarHBondContact O-N 3.24Å
359	E	96.1	Very high	95.9	Very high	90 Å²	90	51.7 Å²	51.7	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-51.9	172.8	-69.5	178.6	173.3	0	0	111.4	E355 L357 L361 L362 E363	E355-E359 PolarHBondContact O-N 2.58Å; E355-E359 VanDerWaalsContact O-N 3.08Å; L357-E359 VanDerWaalsContact C-N 3.32Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 3.17Å; E359-L362 WeakPolarHBondContact O-CB 3.39Å; E359-L362 PolarHBondContact O-N 2.78Å; E359-E363 WeakPolarHBondContact O-CG 3.41Å; E359-E363 PolarHBondContact O-N 3.31Å
360	Y	96.3	Very high	95.8	Very high	23 Å²	23	55 Å²	55	9%	0.09	28%	0.282	C	S	.	.	H	α-helix	trans	-56.1	-42.2	178.7	169	-94.6	0	0	0	113.3	N239 F241 L356 L357 L362 E363 N364 D367	N239-Y360 PolarHBondContact O-OH 3.46Å; F241-Y360 HydrophobicContact CB-CD1 4.42Å; F241-Y360 HydrophobicContact CB-CD2 4.39Å; F241-Y360 HydrophobicContact CB-CE1 4.23Å; F241-Y360 HydrophobicContact CB-CE2 4.18Å; F241-Y360 VanDerWaalsContact CD2-CB 3.48Å; F241-Y360 AromaticContact CD2-CD1 3.75Å; F241-Y360 HydrophobicContact CD2-CD1 3.75Å; F241-Y360 AromaticContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CE1 4.38Å; F241-Y360 HydrophobicContact CD2-CE2 4.3Å; F241-Y360 AromaticContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CE2-CD1 4.49Å; F241-Y360 AromaticContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CG-CD1 4.45Å; F241-Y360 HydrophobicContact CG-CG 4.36Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.77Å; L357-Y360 HydrophobicContact CD1-CD1 4.26Å; L357-Y360 PolarHBondContact O-N 3.07Å; Y360-L362 VanDerWaalsContact C-N 3.26Å; Y360-L362 PolarHBondContact O-N 2.8Å; Y360-E363 PolarHBondContact O-N 3.27Å; Y360-N364 HydrophobicContact CD2-CB 4.43Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.26Å; Y360-N364 HydrophobicContact CE2-CB 4.15Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.47Å; Y360-N364 WeakPolarHBondContact O-CB 3.32Å; Y360-N364 PolarHBondContact O-N 3Å; Y360-N364 PolarHBondContact O-ND2 2.75Å; Y360-N364 VanDerWaalsContact O-ND2 3.08Å; Y360-D367 PolarHBondContact OH-OD2 2.86Å
361	L	95.6	Very high	95.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-27.9	179.4	-69.2	169.9	0	0	0	112.7	T292 L293 Y296 L357 E359 A368	T292-L361 HydrophobicContact CG2-CD1 4.1Å; L293-L361 HydrophobicContact CD2-CD1 4.01Å; L293-L361 HydrophobicContact CD2-CD2 4.2Å; Y296-L361 HydrophobicContact CD1-CD1 4.48Å; Y296-L361 HydrophobicContact CD2-CB 3.67Å; Y296-L361 HydrophobicContact CD2-CD1 4.12Å; Y296-L361 HydrophobicContact CD2-CG 4.49Å; Y296-L361 HydrophobicContact CE2-CB 3.63Å; Y296-L361 WeakPolarHBondContact CE2-O 3.44Å; Y296-L361 HydrophobicContact CG-CB 4.21Å; Y296-L361 HydrophobicContact CG-CD1 3.93Å; Y296-L361 PolarHBondContact OH-O 3.46Å; Y296-L361 VanDerWaalsContact OH-O 3.11Å; L357-L361 HydrophobicContact CD1-CG 4.35Å; L357-L361 HydrophobicContact CG-CD1 4.15Å; L357-L361 HydrophobicContact CG-CG 4.41Å; L357-L361 WeakPolarHBondContact O-CG 3.2Å; L357-L361 PolarHBondContact O-N 3.09Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 3.17Å; L361-A368 HydrophobicContact CB-CB 4.33Å; L361-A368 HydrophobicContact CD2-CB 3.69Å
362	L	94.8	Very high	95.7	Very high	97 Å²	97	49.3 Å²	49.3	51%	0.508	26%	0.256	S	S	.	.	H	α-helix	trans	-80.6	-38.8	174.9	-69	171.5	0	0	0	111.7	Y296 A358 E359 Y360	Y296-L362 HydrophobicContact CE2-CD2 4.25Å; A358-L362 WeakPolarHBondContact O-CG 3.39Å; A358-L362 PolarHBondContact O-N 3.24Å; E359-L362 WeakPolarHBondContact O-CB 3.39Å; E359-L362 PolarHBondContact O-N 2.78Å; Y360-L362 VanDerWaalsContact C-N 3.26Å; Y360-L362 PolarHBondContact O-N 2.8Å
363	E	95.4	Very high	95.6	Very high	149 Å²	149	49.7 Å²	49.7	70%	0.696	27%	0.265	S	S	*	.	H	α-helix	trans	-74.5	-29.3	179.4	-69.1	-177.7	167.4	0	0	113	E359 Y360 P365	E359-E363 WeakPolarHBondContact O-CG 3.41Å; E359-E363 PolarHBondContact O-N 3.31Å; Y360-E363 PolarHBondContact O-N 3.27Å; E363-P365 WeakPolarHBondContact O-CD 3.25Å
364	N	95.3	Very high	95.4	Very high	40 Å²	40	51 Å²	51	21%	0.214	27%	0.271	C	S	.	.			trans	-118.8	63.2	-176.5	-58.5	-85.2	0	0	0	111.6	Y360 T366 D367 A368	Y360-N364 HydrophobicContact CD2-CB 4.43Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.26Å; Y360-N364 HydrophobicContact CE2-CB 4.15Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.47Å; Y360-N364 WeakPolarHBondContact O-CB 3.32Å; Y360-N364 PolarHBondContact O-N 3Å; Y360-N364 PolarHBondContact O-ND2 2.75Å; Y360-N364 VanDerWaalsContact O-ND2 3.08Å; N364-T366 VanDerWaalsContact C-N 3.25Å; N364-T366 PolarHBondContact O-N 3.27Å; N364-D367 HydrophobicContact CB-CB 4.17Å; N364-D367 PolarHBondContact O-N 2.99Å; N364-D367 VanDerWaalsContact O-N 3.16Å; N364-A368 WeakPolarHBondContact O-CB 3.23Å; N364-A368 PolarHBondContact O-N 2.9Å
365	P	94.3	Very high	95.3	Very high	74 Å²	74	48.7 Å²	48.7	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-27.8	-173.1	25.7	-35.4	0	0	0	113.6	E363 K369	E363-P365 WeakPolarHBondContact O-CD 3.25Å; P365-K369 VanDerWaalsContact O-CB 3.28Å; P365-K369 WeakPolarHBondContact O-CB 3.23Å; P365-K369 PolarHBondContact O-N 3.18Å
366	T	95.4	Very high	95.1	Very high	99 Å²	99	44.8 Å²	44.8	61%	0.607	24%	0.241	S	C	*	.	H	α-helix	trans	-64.9	-48.7	175.3	-55.7	0	0	0	0	110.9	N364 K369 I370	N364-T366 VanDerWaalsContact C-N 3.25Å; N364-T366 PolarHBondContact O-N 3.27Å; T366-K369 PolarHBondContact O-N 2.78Å; T366-I370 HydrophobicContact CG2-CD1 4.43Å; T366-I370 WeakPolarHBondContact O-CG1 3.32Å; T366-I370 PolarHBondContact O-N 3.36Å
367	D	95.5	Very high	94.8	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-45.5	180	-64.2	12.3	0	0	0	110	H237 N239 Y360 N364 K369 I370 V371	H237-D367 HydrophobicContact CB-CB 4.07Å; H237-D367 IonicContact ND1-OD2 3.3Å; N239-D367 WeakPolarHBondContact CB-OD2 3.18Å; N239-D367 PolarHBondContact N-OD2 2.91Å; N239-D367 PolarHBondContact ND2-OD2 3.32Å; Y360-D367 PolarHBondContact OH-OD2 2.86Å; N364-D367 HydrophobicContact CB-CB 4.17Å; N364-D367 PolarHBondContact O-N 2.99Å; N364-D367 VanDerWaalsContact O-N 3.16Å; D367-K369 VanDerWaalsContact C-N 3.29Å; D367-K369 PolarHBondContact O-N 3.27Å; D367-I370 PolarHBondContact O-N 2.78Å; D367-I370 VanDerWaalsContact O-N 3.09Å; D367-V371 WeakPolarHBondContact O-CG2 3.39Å; D367-V371 PolarHBondContact O-N 3.06Å
368	A	95.3	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-43.9	175.8	0	0	0	0	0	111.9	Y296 L361 N364 I370 V371 V372	Y296-A368 HydrophobicContact CE1-CB 3.85Å; Y296-A368 WeakPolarHBondContact OH-CB 3.36Å; L361-A368 HydrophobicContact CB-CB 4.33Å; L361-A368 HydrophobicContact CD2-CB 3.69Å; N364-A368 WeakPolarHBondContact O-CB 3.23Å; N364-A368 PolarHBondContact O-N 2.9Å; A368-I370 PolarHBondContact O-N 2.81Å; A368-V371 PolarHBondContact O-N 3.34Å; A368-V372 VanDerWaalsContact O-CB 3.3Å; A368-V372 WeakPolarHBondContact O-CB 3.47Å; A368-V372 WeakPolarHBondContact O-CG2 3.13Å; A368-V372 PolarHBondContact O-N 2.97Å
369	K	95	Very high	94.1	Very high	133 Å²	133	45.4 Å²	45.4	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-63.3	-40	177.3	-177.2	-179.4	177	-174.2	0	112.6	P365 T366 D367 G373	P365-K369 VanDerWaalsContact O-CB 3.28Å; P365-K369 WeakPolarHBondContact O-CB 3.23Å; P365-K369 PolarHBondContact O-N 3.18Å; T366-K369 PolarHBondContact O-N 2.78Å; D367-K369 VanDerWaalsContact C-N 3.29Å; D367-K369 PolarHBondContact O-N 3.27Å; K369-G373 PolarHBondContact O-N 2.87Å
370	I	95.5	Very high	93.7	Very high	68 Å²	68	46.8 Å²	46.8	35%	0.349	24%	0.241	S	C	.	.	H	α-helix	trans	-66.7	-48.4	177.8	-65.5	165	0	0	0	110.3	I236 T366 D367 A368 G373 K374	I236-I370 HydrophobicContact CB-CG2 3.89Å; I236-I370 HydrophobicContact CD1-CG2 3.95Å; I236-I370 HydrophobicContact CG1-CG2 3.79Å; I236-I370 WeakPolarHBondContact O-CG2 3.48Å; T366-I370 HydrophobicContact CG2-CD1 4.43Å; T366-I370 WeakPolarHBondContact O-CG1 3.32Å; T366-I370 PolarHBondContact O-N 3.36Å; D367-I370 PolarHBondContact O-N 2.78Å; D367-I370 VanDerWaalsContact O-N 3.09Å; A368-I370 PolarHBondContact O-N 2.81Å; I370-G373 PolarHBondContact O-N 3.48Å; I370-K374 PolarHBondContact O-N 3.03Å
371	V	95	Very high	93.1	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-50	178.1	172.4	0	0	0	0	110.4	W258 L293 D367 A368 G373 K374 I375	W258-V371 HydrophobicContact CD2-CG1 3.79Å; W258-V371 HydrophobicContact CD2-CG2 3.98Å; W258-V371 HydrophobicContact CE3-CB 4.4Å; W258-V371 HydrophobicContact CE3-CG1 3.85Å; W258-V371 HydrophobicContact CE3-CG2 3.57Å; W258-V371 HydrophobicContact CG-CG1 4.45Å; W258-V371 HydrophobicContact CG-CG2 4.43Å; W258-V371 HydrophobicContact CH2-CG1 3.97Å; W258-V371 HydrophobicContact CZ2-CG1 3.88Å; W258-V371 HydrophobicContact CZ3-CG1 3.94Å; W258-V371 HydrophobicContact CZ3-CG2 4.07Å; L293-V371 HydrophobicContact CD2-CG1 4.43Å; D367-V371 WeakPolarHBondContact O-CG2 3.39Å; D367-V371 PolarHBondContact O-N 3.06Å; A368-V371 PolarHBondContact O-N 3.34Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.35Å; V371-K374 WeakPolarHBondContact O-CB 3.25Å; V371-K374 PolarHBondContact O-N 3Å; V371-K374 VanDerWaalsContact O-N 3.12Å; V371-I375 HydrophobicContact CG1-CD1 3.85Å; V371-I375 HydrophobicContact CG1-CG1 4.42Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.17Å; V371-I375 PolarHBondContact O-N 3.24Å
372	V	95	Very high	92.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-39.8	176.5	167.5	0	0	0	0	111.9	Y296 M297 Y302 A368 I375 I376	Y296-V372 HydrophobicContact CD1-CG2 4.1Å; Y296-V372 HydrophobicContact CE1-CG2 4.22Å; M297-V372 HydrophobicContact CG-CB 4.34Å; M297-V372 HydrophobicContact CG-CG1 3.75Å; M297-V372 HydrophobicContact CG-CG2 3.67Å; M297-V372 HydrophobicContact SD-CG1 3.92Å; M297-V372 HydrophobicContact SD-CG2 4.29Å; Y302-V372 HydrophobicContact CD1-CG1 3.88Å; Y302-V372 HydrophobicContact CD2-CG1 3.83Å; Y302-V372 HydrophobicContact CE1-CG1 4.41Å; Y302-V372 HydrophobicContact CE2-CG1 4.37Å; Y302-V372 HydrophobicContact CG-CG1 3.56Å; A368-V372 VanDerWaalsContact O-CB 3.3Å; A368-V372 WeakPolarHBondContact O-CB 3.47Å; A368-V372 WeakPolarHBondContact O-CG2 3.13Å; A368-V372 PolarHBondContact O-N 2.97Å; V372-I375 PolarHBondContact O-N 2.94Å; V372-I376 HydrophobicContact CG1-CD1 3.69Å; V372-I376 HydrophobicContact CG1-CG1 4.38Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.28Å; V372-I376 PolarHBondContact O-N 3.35Å
373	G	93.8	Very high	92.1	Very high	28 Å²	28	47.2 Å²	47.2	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-57.1	-48.6	173.9	0	0	0	0	0	112.3	K369 I370 V371 I375 I376 D377	K369-G373 PolarHBondContact O-N 2.87Å; I370-G373 PolarHBondContact O-N 3.48Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.35Å; G373-I375 PolarHBondContact O-N 2.88Å; G373-I376 PolarHBondContact O-N 2.89Å; G373-D377 PolarHBondContact O-N 2.79Å
374	K	93.1	Very high	91.4	Very high	26 Å²	26	42.7 Å²	42.7	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-45.8	176.1	-177.5	177.7	172.9	89.2	0	112	I236 N259 D260 G261 E317 I370 V371 I376 D377 A378	I236-K374 HydrophobicContact CD1-CB 4.03Å; I236-K374 HydrophobicContact CD1-CD 3.5Å; I236-K374 VanDerWaalsContact CD1-CD 3.5Å; I236-K374 HydrophobicContact CD1-CG 4.38Å; N259-K374 WeakPolarHBondContact O-CE 3.3Å; N259-K374 PolarHBondContact O-NZ 3.36Å; D260-K374 PolarHBondContact O-NZ 3.25Å; G261-K374 PolarHBondContact O-NZ 2.84Å; E317-K374 WeakPolarHBondContact O-CE 3.42Å; I370-K374 PolarHBondContact O-N 3.03Å; V371-K374 WeakPolarHBondContact O-CB 3.25Å; V371-K374 PolarHBondContact O-N 3Å; V371-K374 VanDerWaalsContact O-N 3.12Å; K374-I376 VanDerWaalsContact C-N 3.32Å; K374-I376 PolarHBondContact O-N 3.03Å; K374-D377 PolarHBondContact O-N 2.87Å; K374-A378 WeakPolarHBondContact O-CB 3.29Å; K374-A378 PolarHBondContact O-N 2.95Å
375	I	93.8	Very high	90.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-42.3	178.8	-64.1	173.3	0	0	0	111.1	L293 M297 A310 D314 A315 V371 V372 G373 A378 A379	L293-I375 HydrophobicContact CD1-CD1 3.94Å; L293-I375 HydrophobicContact CD2-CD1 4.27Å; L293-I375 HydrophobicContact CG-CD1 4.48Å; M297-I375 HydrophobicContact CE-CG2 4.26Å; M297-I375 HydrophobicContact SD-CG2 4.17Å; A310-I375 HydrophobicContact CB-CG2 3.62Å; D314-I375 HydrophobicContact CB-CG2 4.31Å; A315-I375 HydrophobicContact CB-CD1 4.33Å; V371-I375 HydrophobicContact CG1-CD1 3.85Å; V371-I375 HydrophobicContact CG1-CG1 4.42Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.17Å; V371-I375 PolarHBondContact O-N 3.24Å; V372-I375 PolarHBondContact O-N 2.94Å; G373-I375 PolarHBondContact O-N 2.88Å; I375-A378 PolarHBondContact O-N 3.43Å; I375-A379 WeakPolarHBondContact O-CB 3.49Å; I375-A379 PolarHBondContact O-N 3.44Å
376	I	92.9	Very high	89.7	Confident	23 Å²	23	43.4 Å²	43.4	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-41.9	177.3	-71.7	165.3	0	0	0	111.2	A306 V372 G373 K374 A379 R380	A306-I376 HydrophobicContact CB-CD1 4.05Å; A306-I376 HydrophobicContact CB-CG1 4.01Å; A306-I376 HydrophobicContact CB-CG2 3.7Å; V372-I376 HydrophobicContact CG1-CD1 3.69Å; V372-I376 HydrophobicContact CG1-CG1 4.38Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.28Å; V372-I376 PolarHBondContact O-N 3.35Å; G373-I376 PolarHBondContact O-N 2.89Å; K374-I376 VanDerWaalsContact C-N 3.32Å; K374-I376 PolarHBondContact O-N 3.03Å; I376-A379 PolarHBondContact O-N 3.11Å; I376-R380 HydrophobicContact CG2-CG 4.48Å; I376-R380 WeakPolarHBondContact O-CB 3.3Å; I376-R380 VanDerWaalsContact O-CG 3.29Å; I376-R380 WeakPolarHBondContact O-CG 3.41Å; I376-R380 PolarHBondContact O-N 3.26Å
377	D	89.8	Confident	88.9	Confident	89 Å²	89	46.3 Å²	46.3	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-40.3	178.4	-75.7	-15.4	0	0	0	111.6	G373 K374 R380 A381	G373-D377 PolarHBondContact O-N 2.79Å; K374-D377 PolarHBondContact O-N 2.87Å; D377-R380 PolarHBondContact O-N 2.79Å; D377-R380 IonicContact OD1-NH1 3.66Å; D377-A381 WeakPolarHBondContact O-CB 3.39Å; D377-A381 PolarHBondContact O-N 2.85Å
378	A	89	Confident	87.6	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-49.6	171.4	0	0	0	0	0	111.2	D314 E317 K374 I375 R380 A381 R382	D314-A378 HydrophobicContact CB-CB 4.32Å; E317-A378 HydrophobicContact CB-CB 4.15Å; E317-A378 VanDerWaalsContact CD-CB 3.49Å; E317-A378 HydrophobicContact CG-CB 4.42Å; E317-A378 WeakPolarHBondContact OE2-CB 3.36Å; K374-A378 WeakPolarHBondContact O-CB 3.29Å; K374-A378 PolarHBondContact O-N 2.95Å; I375-A378 PolarHBondContact O-N 3.43Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.81Å; A378-A381 PolarHBondContact O-N 3.09Å; A378-A381 VanDerWaalsContact O-N 3.14Å; A378-R382 WeakPolarHBondContact O-CB 3.34Å; A378-R382 PolarHBondContact O-N 3.42Å
379	A	89.9	Confident	86.3	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178.8	0	0	0	0	0	112.3	V308 D314 I375 I376 E383	V308-A379 HydrophobicContact CB-CB 4.45Å; V308-A379 HydrophobicContact CG1-CB 3.64Å; D314-A379 HydrophobicContact CB-CB 4.16Å; I375-A379 WeakPolarHBondContact O-CB 3.49Å; I375-A379 PolarHBondContact O-N 3.44Å; I376-A379 PolarHBondContact O-N 3.11Å; A379-E383 WeakPolarHBondContact O-CG 3.3Å; A379-E383 PolarHBondContact O-N 2.94Å
380	R	87.2	Confident	85.1	Confident	120 Å²	120	48.4 Å²	48.4	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-43	173.8	-76.8	170	173.5	173.8	-2	112	V308 I376 D377 A378 E383 A384	V308-R380 HydrophobicContact CG2-CG 3.84Å; I376-R380 HydrophobicContact CG2-CG 4.48Å; I376-R380 WeakPolarHBondContact O-CB 3.3Å; I376-R380 VanDerWaalsContact O-CG 3.29Å; I376-R380 WeakPolarHBondContact O-CG 3.41Å; I376-R380 PolarHBondContact O-N 3.26Å; D377-R380 PolarHBondContact O-N 2.79Å; D377-R380 IonicContact OD1-NH1 3.66Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.81Å; R380-E383 PolarHBondContact O-N 3.3Å; R380-A384 WeakPolarHBondContact O-CB 3.45Å; R380-A384 PolarHBondContact O-N 3.49Å
381	A	83.6	Confident	83.5	Confident	42 Å²	42	51.2 Å²	51.2	35%	0.347	26%	0.256	S	S	.	.	H	α-helix	trans	-63.7	-43.6	177.4	0	0	0	0	0	111.2	D377 A378 E383 A384 A385	D377-A381 WeakPolarHBondContact O-CB 3.39Å; D377-A381 PolarHBondContact O-N 2.85Å; A378-A381 PolarHBondContact O-N 3.09Å; A378-A381 VanDerWaalsContact O-N 3.14Å; A381-E383 PolarHBondContact O-N 2.82Å; A381-A384 PolarHBondContact O-N 3.27Å; A381-A385 WeakPolarHBondContact O-CB 3.49Å; A381-A385 PolarHBondContact O-N 2.82Å
382	R	85.5	Confident	81.8	Confident	57 Å²	57	55.9 Å²	55.9	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-56.6	-48.9	172.8	-179.1	-179.8	57.6	70.9	2.4	111.6	S309 D314 A378 A384 A385 R386	S309-R382 PolarHBondContact O-NH2 3.33Å; D314-R382 WeakPolarHBondContact OD1-CD 3.35Å; D314-R382 IonicContact OD1-NE 3.97Å; D314-R382 PolarHBondContact OD1-NE 2.9Å; D314-R382 IonicContact OD2-CZ 2.6Å; D314-R382 IonicContact OD2-NE 3.24Å; D314-R382 PolarHBondContact OD2-NE 2.84Å; D314-R382 IonicContact OD2-NH2 3.97Å; D314-R382 PolarHBondContact OD2-NH2 3.41Å; D314-R382 VanDerWaalsContact OD2-NH2 3.12Å; A378-R382 WeakPolarHBondContact O-CB 3.34Å; A378-R382 PolarHBondContact O-N 3.42Å; R382-A384 PolarHBondContact O-N 2.66Å; R382-A385 PolarHBondContact O-N 2.96Å; R382-R386 WeakPolarHBondContact O-CB 3.48Å; R382-R386 PolarHBondContact O-N 2.75Å
383	E	84.3	Confident	80	Confident	31 Å²	31	64 Å²	64	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-39.5	177.6	-76.7	-63.3	135.9	0	0	112.9	V308 A379 R380 A381 R386 R387	V308-E383 HydrophobicContact CG1-CG 3.8Å; A379-E383 WeakPolarHBondContact O-CG 3.3Å; A379-E383 PolarHBondContact O-N 2.94Å; R380-E383 PolarHBondContact O-N 3.3Å; A381-E383 PolarHBondContact O-N 2.82Å; E383-R386 VanDerWaalsContact CD-NH2 3.33Å; E383-R386 PolarHBondContact O-N 3.25Å; E383-R386 IonicContact OE1-CZ 2.74Å; E383-R386 VanDerWaalsContact OE1-CZ 3.23Å; E383-R386 IonicContact OE1-NE 2.76Å; E383-R386 IonicContact OE1-NH1 2.77Å; E383-R386 PolarHBondContact OE1-NH1 2.74Å; E383-R386 VanDerWaalsContact OE1-NH1 3.15Å; E383-R386 IonicContact OE1-NH2 2.61Å; E383-R386 PolarHBondContact OE1-NH2 3.04Å; E383-R386 IonicContact OE2-CZ 3.54Å; E383-R386 IonicContact OE2-NE 3.15Å; E383-R386 IonicContact OE2-NH1 3.24Å; E383-R386 IonicContact OE2-NH2 3.65Å; E383-R386 PolarHBondContact OE2-NH2 3.33Å; E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 2.76Å
384	A	80.6	Confident	78.1	Confident	54 Å²	54	71.8 Å²	71.8	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-65	-44.6	174.6	0	0	0	0	0	111.7	R380 A381 R382 R387 A388	R380-A384 WeakPolarHBondContact O-CB 3.45Å; R380-A384 PolarHBondContact O-N 3.49Å; A381-A384 PolarHBondContact O-N 3.27Å; R382-A384 PolarHBondContact O-N 2.66Å; A384-R387 PolarHBondContact O-N 2.98Å; A384-A388 WeakPolarHBondContact O-CB 3.25Å; A384-A388 PolarHBondContact O-N 3.18Å
385	A	73.7	Confident	76	Confident	7 Å²	7	77.9 Å²	77.9	6%	0.058	36%	0.363	C	S	.	.	H	α-helix	trans	-62	-43.4	176.1	0	0	0	0	0	111.3	A381 R382 R387 A388 R389 F458 L462	A381-A385 WeakPolarHBondContact O-CB 3.49Å; A381-A385 PolarHBondContact O-N 2.82Å; R382-A385 PolarHBondContact O-N 2.96Å; A385-R387 PolarHBondContact O-N 3.08Å; A385-A388 PolarHBondContact O-N 2.89Å; A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 WeakPolarHBondContact O-CG 3.47Å; A385-R389 PolarHBondContact O-N 3.16Å; A385-F458 HydrophobicContact CB-CD1 4.37Å; A385-L462 HydrophobicContact CB-CD1 4.49Å
386	R	79.5	Confident	73.7	Confident	122 Å²	122	79.7 Å²	79.7	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-57.5	-47.5	174.2	-171.2	-180	72.1	-172.8	2.4	111.5	R382 E383 R389 E390	R382-R386 WeakPolarHBondContact O-CB 3.48Å; R382-R386 PolarHBondContact O-N 2.75Å; E383-R386 VanDerWaalsContact CD-NH2 3.33Å; E383-R386 PolarHBondContact O-N 3.25Å; E383-R386 IonicContact OE1-CZ 2.74Å; E383-R386 VanDerWaalsContact OE1-CZ 3.23Å; E383-R386 IonicContact OE1-NE 2.76Å; E383-R386 IonicContact OE1-NH1 2.77Å; E383-R386 PolarHBondContact OE1-NH1 2.74Å; E383-R386 VanDerWaalsContact OE1-NH1 3.15Å; E383-R386 IonicContact OE1-NH2 2.61Å; E383-R386 PolarHBondContact OE1-NH2 3.04Å; E383-R386 IonicContact OE2-CZ 3.54Å; E383-R386 IonicContact OE2-NE 3.15Å; E383-R386 IonicContact OE2-NH1 3.24Å; E383-R386 IonicContact OE2-NH2 3.65Å; E383-R386 PolarHBondContact OE2-NH2 3.33Å; R386-R389 PolarHBondContact O-N 2.94Å; R386-E390 WeakPolarHBondContact O-CG 3.28Å; R386-E390 PolarHBondContact O-N 3.15Å
387	R	78.4	Confident	71.2	Confident	160 Å²	160	81.8 Å²	81.8	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-63.6	-42	177.5	-71.4	174.5	-173.7	-178.2	3.3	112.6	E383 A384 A385 R389 E390 M391	E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 2.76Å; A384-R387 PolarHBondContact O-N 2.98Å; A385-R387 PolarHBondContact O-N 3.08Å; R387-R389 VanDerWaalsContact C-N 3.35Å; R387-E390 PolarHBondContact O-N 2.89Å; R387-M391 PolarHBondContact O-N 3.36Å
388	A	69.8	Low	68.7	Low	46 Å²	46	85 Å²	85	38%	0.38	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-45.5	176.3	0	0	0	0	0	110.8	A384 A385 M391 T392	A384-A388 WeakPolarHBondContact O-CB 3.25Å; A384-A388 PolarHBondContact O-N 3.18Å; A385-A388 PolarHBondContact O-N 2.89Å; A388-M391 PolarHBondContact O-N 3.02Å; A388-T392 PolarHBondContact O-N 3.41Å; A388-T392 PolarHBondContact O-OG1 3.48Å
389	R	66.2	Low	66.6	Low	40 Å²	40	90.9 Å²	90.9	15%	0.151	45%	0.449	C	S	.	.	H	α-helix	trans	-61.9	-44	176	-71.2	167.9	177.3	-152.2	-14.9	112.7	A385 R386 R387 M391 T392 R393 L462 I478 E482	A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 WeakPolarHBondContact O-CG 3.47Å; A385-R389 PolarHBondContact O-N 3.16Å; R386-R389 PolarHBondContact O-N 2.94Å; R387-R389 VanDerWaalsContact C-N 3.35Å; R389-M391 VanDerWaalsContact C-N 3.33Å; R389-M391 PolarHBondContact O-N 3.23Å; R389-T392 PolarHBondContact O-N 3.03Å; R389-R393 PolarHBondContact O-N 3.31Å; R389-L462 HydrophobicContact CG-CD1 4.46Å; R389-I478 PolarHBondContact NH2-O 3.48Å; R389-E482 IonicContact CZ-OE2 2.82Å; R389-E482 IonicContact NH1-OE2 2.7Å; R389-E482 PolarHBondContact NH1-OE2 2.9Å
390	E	70.1	Confident	63.9	Low	98 Å²	98	98.1 Å²	98.1	46%	0.458	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-40	176.3	-78	-178.6	-179.1	0	0	112.1	R386 R387 R393 R394	R386-E390 WeakPolarHBondContact O-CG 3.28Å; R386-E390 PolarHBondContact O-N 3.15Å; R387-E390 PolarHBondContact O-N 2.89Å; E390-R393 PolarHBondContact O-N 2.79Å; E390-R394 WeakPolarHBondContact O-CG 3.32Å; E390-R394 PolarHBondContact O-N 3.11Å
391	M	62.4	Low	61.6	Low	127 Å²	127	97.4 Å²	97.4	63%	0.626	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-41.4	173	-76.8	-160.5	-73.4	0	0	112	R387 A388 R389 R394 K395	R387-M391 PolarHBondContact O-N 3.36Å; A388-M391 PolarHBondContact O-N 3.02Å; R389-M391 VanDerWaalsContact C-N 3.33Å; R389-M391 PolarHBondContact O-N 3.23Å; M391-R394 PolarHBondContact O-N 3.15Å; M391-K395 PolarHBondContact O-N 3.04Å
392	T	59	Low	59.6	Low	99 Å²	99	98 Å²	98	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-67.6	-40.8	177.4	-51.3	0	0	0	0	111.8	A388 R389 R394 K395 G396	A388-T392 PolarHBondContact O-N 3.41Å; A388-T392 PolarHBondContact O-OG1 3.48Å; R389-T392 PolarHBondContact O-N 3.03Å; T392-R394 VanDerWaalsContact C-N 3.34Å; T392-R394 PolarHBondContact O-N 3.24Å; T392-K395 PolarHBondContact O-N 2.85Å; T392-G396 PolarHBondContact O-N 2.86Å
393	R	58.4	Low	58.1	Low	171 Å²	171	99.1 Å²	99.1	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-60.6	-42.2	172.9	-89.9	-173.3	177	171.8	7.5	112	R389 E390 K395 G396 A397 E482	R389-R393 PolarHBondContact O-N 3.31Å; E390-R393 PolarHBondContact O-N 2.79Å; R393-K395 VanDerWaalsContact C-N 3.33Å; R393-K395 PolarHBondContact O-N 3.41Å; R393-G396 PolarHBondContact O-N 2.9Å; R393-A397 PolarHBondContact O-N 2.64Å; R393-E482 IonicContact CZ-OE1 3.42Å; R393-E482 IonicContact NE-OE1 3.56Å; R393-E482 IonicContact NH2-OE1 2.66Å; R393-E482 PolarHBondContact NH2-OE1 2.69Å
394	R	52.7	Low	56.6	Low	192 Å²	192	100 Å²	100	73%	0.725	54%	0.535	S	S	*	.	H	α-helix	trans	-64.2	-36.6	176.6	-76.2	179.8	-178.3	-178.2	3.2	112.4	E390 M391 T392	E390-R394 WeakPolarHBondContact O-CG 3.32Å; E390-R394 PolarHBondContact O-N 3.11Å; M391-R394 PolarHBondContact O-N 3.15Å; T392-R394 VanDerWaalsContact C-N 3.34Å; T392-R394 PolarHBondContact O-N 3.24Å
395	K	49.9	Very low	55.8	Low	154 Å²	154	101.7 Å²	101.7	67%	0.67	56%	0.558	S	S	*	*	H	α-helix	trans	-72.1	-41	172.5	-74.8	-176	175.3	-177.3	0	112.4	M391 T392 R393 A397 L398 D399	M391-K395 PolarHBondContact O-N 3.04Å; T392-K395 PolarHBondContact O-N 2.85Å; R393-K395 VanDerWaalsContact C-N 3.33Å; R393-K395 PolarHBondContact O-N 3.41Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 3.14Å; K395-L398 WeakPolarHBondContact O-CB 3.47Å; K395-L398 PolarHBondContact O-N 3.21Å; K395-D399 PolarHBondContact O-N 3.05Å; K395-D399 VanDerWaalsContact O-N 3.07Å
396	G	45.7	Very low	56.1	Low	38 Å²	38	103.5 Å²	103.5	39%	0.392	57%	0.565	S	S	.	*	H	α-helix	trans	-66.9	-27.2	179.4	0	0	0	0	0	114.4	T392 R393 L398 D399 L400	T392-G396 PolarHBondContact O-N 2.86Å; R393-G396 PolarHBondContact O-N 2.9Å; G396-L398 PolarHBondContact O-N 3.01Å; G396-D399 CarbonylContact O-C 3.5Å; G396-D399 PolarHBondContact O-N 3.14Å; G396-L400 PolarHBondContact O-N 3.01Å
397	A	39.5	Very low	56.5	Low	67 Å²	67	98.6 Å²	98.6	55%	0.554	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.1	170.2	0	0	0	0	0	113.2	R393 K395 L400	R393-A397 PolarHBondContact O-N 2.64Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 3.14Å; A397-L400 WeakPolarHBondContact O-CD1 3.18Å
398	L	37.2	Very low	57.2	Low	158 Å²	158	91.6 Å²	91.6	83%	0.827	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-26.7	170.8	-80.7	148.5	0	0	0	111.9	K395 G396	K395-L398 WeakPolarHBondContact O-CB 3.47Å; K395-L398 PolarHBondContact O-N 3.21Å; G396-L398 PolarHBondContact O-N 3.01Å
399	D	45.3	Very low	58.2	Low	123 Å²	123	91.4 Å²	91.4	66%	0.658	52%	0.517	S	S	*	.			trans	-99.4	32.1	179.8	-94.4	-24.6	0	0	0	113.7	K395 G396 A401 G402	K395-D399 PolarHBondContact O-N 3.05Å; K395-D399 VanDerWaalsContact O-N 3.07Å; G396-D399 CarbonylContact O-C 3.5Å; G396-D399 PolarHBondContact O-N 3.14Å; D399-A401 PolarHBondContact O-N 2.88Å; D399-G402 PolarHBondContact O-N 3.46Å; D399-G402 VanDerWaalsContact O-N 3.13Å
400	L	33.9	Very low	59.4	Low	154 Å²	154	90 Å²	90	81%	0.806	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	10.3	-175.7	-109.1	155.4	0	0	0	116.2	G396 A397	G396-L400 PolarHBondContact O-N 3.01Å; A397-L400 WeakPolarHBondContact O-CD1 3.18Å
401	A	37.1	Very low	60.4	Low	105 Å²	105	91.2 Å²	91.2	87%	0.868	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-3.6	178.6	0	0	0	0	0	115.5	D399	D399-A401 PolarHBondContact O-N 2.88Å
402	G	43.1	Very low	61.8	Low	56 Å²	56	87.2 Å²	87.2	58%	0.577	50%	0.498	S	S	*	.			trans	-122.4	76.7	-161.4	0	0	0	0	0	116.4	D399	D399-G402 PolarHBondContact O-N 3.46Å; D399-G402 VanDerWaalsContact O-N 3.13Å
403	L	53.7	Low	63.3	Low	80 Å²	80	91 Å²	91	42%	0.419	50%	0.501	S	S	.	.	S	Bend	trans	-52.7	130.5	145	-84.7	161.3	0	0	0	106.1	G405 L407 T472	L403-G405 PolarHBondContact O-N 3.26Å; L403-L407 HydrophobicContact CD1-CD2 3.9Å; L403-L407 HydrophobicContact CD2-CD2 3.71Å; L403-L407 HydrophobicContact CG-CD2 4.35Å; L403-T472 HydrophobicContact CD2-CG2 4.09Å
404	P	53	Low	64.9	Low	48 Å²	48	86.5 Å²	86.5	31%	0.312	49%	0.49	S	S	.	.			trans	-49.9	131.8	176	-22.9	31.5	0	0	0	107.7	K406 L407 T469	P404-K406 PolarHBondContact O-N 2.82Å; P404-L407 PolarHBondContact O-N 3.46Å; P404-L407 VanDerWaalsContact O-N 3.1Å; P404-T469 HydrophobicContact CB-CG2 4.41Å; P404-T469 HydrophobicContact CG-CG2 4.14Å
405	G	62.6	Low	66.8	Low	90 Å²	90	79.2 Å²	79.2	93%	0.928	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	8.3	-171.5	0	0	0	0	0	116.6	L403	L403-G405 PolarHBondContact O-N 3.26Å
406	K	79.6	Confident	68.9	Low	45 Å²	45	74.5 Å²	74.5	20%	0.196	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-41	169.5	-62	-171.3	177	-169.1	0	113.5	P404 A408 L444 P445 E466	P404-K406 PolarHBondContact O-N 2.82Å; K406-A408 PolarHBondContact O-N 2.91Å; K406-L444 HydrophobicContact CB-CD1 4.44Å; K406-P445 VanDerWaalsContact O-CD 3.26Å; K406-P445 WeakPolarHBondContact O-CD 3.18Å; K406-E466 IonicContact NZ-OE1 2.82Å; K406-E466 PolarHBondContact NZ-OE1 2.9Å; K406-E466 IonicContact NZ-OE2 3.27Å; K406-E466 PolarHBondContact NZ-OE2 2.79Å
407	L	90	Very high	71.2	Confident	19 Å²	19	77.4 Å²	77.4	10%	0.099	46%	0.463	C	S	.	.			trans	-75.1	116.1	-177.2	-179.6	64.5	0	0	0	109.7	L403 P404 D409 L420 A442 L444 A473	L403-L407 HydrophobicContact CD1-CD2 3.9Å; L403-L407 HydrophobicContact CD2-CD2 3.71Å; L403-L407 HydrophobicContact CG-CD2 4.35Å; P404-L407 PolarHBondContact O-N 3.46Å; P404-L407 VanDerWaalsContact O-N 3.1Å; L407-D409 PolarHBondContact O-N 2.93Å; L407-L420 HydrophobicContact CD1-CD1 3.93Å; L407-A442 HydrophobicContact CD1-CB 4.43Å; L407-L444 HydrophobicContact CB-CD1 4.3Å; L407-L444 HydrophobicContact CD1-CB 4Å; L407-L444 HydrophobicContact CD1-CD1 4.39Å; L407-A473 HydrophobicContact CD1-CB 4.47Å; L407-A473 HydrophobicContact CD2-CB 3.99Å
408	A	92.3	Very high	73.9	Confident	13 Å²	13	74.2 Å²	74.2	11%	0.107	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-88.1	98.9	163.1	0	0	0	0	0	107.6	K406 K433 R436 A442 I443	K406-A408 PolarHBondContact O-N 2.91Å; A408-K433 HydrophobicContact CB-CD 4.08Å; A408-K433 HydrophobicContact CB-CG 4.15Å; A408-R436 PolarHBondContact O-NH1 3.13Å; A408-A442 CarbonylContact O-C 3.59Å; A408-A442 WeakPolarHBondContact O-CA 3.31Å; A408-I443 HydrophobicContact CB-CB 4.31Å; A408-I443 PolarHBondContact N-O 3.04Å; A408-I443 PolarHBondContact O-N 3.38Å
409	D	90.9	Very high	76.8	Confident	43 Å²	43	67.3 Å²	67.3	23%	0.23	40%	0.401	C	S	.	.			trans	-69.4	165.1	179.1	-160	1.7	0	0	0	111.3	L407 R436 R489 Y490	L407-D409 PolarHBondContact O-N 2.93Å; D409-R436 PolarHBondContact O-NH1 2.77Å; D409-R436 PolarHBondContact O-NH2 2.76Å; D409-R489 IonicContact OD1-CZ 3.31Å; D409-R489 IonicContact OD1-NH1 3.95Å; D409-R489 IonicContact OD1-NH2 2.93Å; D409-R489 PolarHBondContact OD1-NH2 3.42Å; D409-R489 IonicContact OD2-CZ 3.91Å; D409-R489 IonicContact OD2-NH1 3.31Å; D409-R489 PolarHBondContact OD2-NH1 2.98Å; D409-R489 IonicContact OD2-NH2 3.64Å; D409-R489 PolarHBondContact OD2-NH2 3.29Å; D409-Y490 PolarHBondContact OD1-OH 2.82Å; D409-Y490 VanDerWaalsContact OD1-OH 3.06Å
410	C	91.7	Very high	79.3	Confident	9 Å²	9	61.5 Å²	61.5	6%	0.061	37%	0.369	C	S	.	.			trans	-96	167.9	169.9	67.8	0	0	0	0	111.4	N440 A442	C410-N440 VanDerWaalsContact CB-C 3.41Å; C410-A442 HydrophobicContact CB-CB 4.35Å
411	Q	90.4	Very high	82.3	Confident	124 Å²	124	54.1 Å²	54.1	58%	0.579	33%	0.331	S	S	*	.	S	Bend	trans	-83.9	-25.7	178.5	-63	176.4	-16.6	0	0	112.6	R438 K439	Q411-R438 PolarHBondContact N-O 3.16Å; Q411-K439 CarbonylContact C-O 3.59Å; Q411-K439 WeakPolarHBondContact CA-O 3.29Å; Q411-K439 PolarHBondContact N-O 2.87Å
412	E	92.5	Very high	85.1	Confident	43 Å²	43	49.1 Å²	49.1	20%	0.201	29%	0.29	C	S	.	.			trans	-66	140.9	180	-170.7	52.5	-95.1	0	0	111.2	D414 L417 S418 K439 N440 R489	E412-D414 HydrophobicContact CG-CB 4.44Å; E412-D414 PolarHBondContact OE1-N 2.93Å; E412-L417 HydrophobicContact CG-CB 3.75Å; E412-S418 WeakPolarHBondContact CG-OG 3.39Å; E412-K439 VanDerWaalsContact CB-O 3.31Å; E412-K439 WeakPolarHBondContact CB-O 3.33Å; E412-K439 PolarHBondContact N-O 2.91Å; E412-N440 HydrophobicContact CB-CB 4.19Å; E412-R489 PolarHBondContact O-NH2 2.81Å
413	R	89.6	Confident	87.5	Confident	179 Å²	179	46.5 Å²	46.5	68%	0.675	26%	0.263	S	S	*	.			trans	-113.2	-23.2	-179.1	-63.4	-61.3	-170.4	177.9	0.8	111.8	P415	R413-P415 VanDerWaalsContact O-CD 3.28Å; R413-P415 WeakPolarHBondContact O-CD 3.4Å
414	D	91.8	Very high	89.2	Confident	77 Å²	77	44.3 Å²	44.3	41%	0.412	25%	0.25	S	S	.	.			trans	-70.6	116.3	172.2	-171.9	-16.8	0	0	0	110.1	E412 A416 L417 S418	E412-D414 HydrophobicContact CG-CB 4.44Å; E412-D414 PolarHBondContact OE1-N 2.93Å; D414-A416 PolarHBondContact O-N 2.54Å; D414-A416 WeakPolarHBondContact OD1-CB 3.34Å; D414-A416 PolarHBondContact OD1-N 3.04Å; D414-L417 HydrophobicContact CB-CB 4.39Å; D414-L417 HydrophobicContact CB-CD1 4.33Å; D414-L417 HydrophobicContact CB-CG 4.32Å; D414-L417 PolarHBondContact O-N 2.88Å; D414-L417 VanDerWaalsContact O-N 3.15Å; D414-S418 WeakPolarHBondContact O-CB 3.18Å; D414-S418 PolarHBondContact O-N 3.33Å; D414-S418 VanDerWaalsContact O-N 3.11Å; D414-S418 PolarHBondContact O-OG 3.1Å
415	P	92.5	Very high	90.8	Very high	38 Å²	38	43.1 Å²	43.1	25%	0.247	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.2	177.9	-26.4	37.4	0	0	0	113.9	R413 L417 S418 L488 R489 H491	R413-P415 VanDerWaalsContact O-CD 3.28Å; R413-P415 WeakPolarHBondContact O-CD 3.4Å; P415-L417 PolarHBondContact O-N 3.2Å; P415-S418 PolarHBondContact O-N 3.42Å; P415-L488 VanDerWaalsContact CB-O 3.3Å; P415-L488 WeakPolarHBondContact CB-O 3.45Å; P415-L488 WeakPolarHBondContact CG-O 3.49Å; P415-R489 WeakPolarHBondContact CA-O 3.42Å; P415-H491 VanDerWaalsContact O-CB 3.3Å; P415-H491 WeakPolarHBondContact O-CB 3.3Å; P415-H491 PolarHBondContact O-N 2.85Å
416	A	94.3	Very high	91.9	Very high	55 Å²	55	42.9 Å²	42.9	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.6	-179	0	0	0	0	0	113	D414 H491	D414-A416 PolarHBondContact O-N 2.54Å; D414-A416 WeakPolarHBondContact OD1-CB 3.34Å; D414-A416 PolarHBondContact OD1-N 3.04Å; A416-H491 WeakPolarHBondContact CA-ND1 3.31Å
417	L	94.3	Very high	92.2	Very high	99 Å²	99	45 Å²	45	52%	0.518	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-11.1	178.3	-59.5	-179.1	0	0	0	112.7	E412 D414 P415 N440	E412-L417 HydrophobicContact CG-CB 3.75Å; D414-L417 HydrophobicContact CB-CB 4.39Å; D414-L417 HydrophobicContact CB-CD1 4.33Å; D414-L417 HydrophobicContact CB-CG 4.32Å; D414-L417 PolarHBondContact O-N 2.88Å; D414-L417 VanDerWaalsContact O-N 3.15Å; P415-L417 PolarHBondContact O-N 3.2Å; L417-N440 WeakPolarHBondContact O-CB 3.03Å
418	S	96.3	Very high	92	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	24%	0.241	C	C	.	.			trans	-93	135.2	-173.8	-57.8	0	0	0	0	112.1	E412 D414 P415 Y490 H491	E412-S418 WeakPolarHBondContact CG-OG 3.39Å; D414-S418 WeakPolarHBondContact O-CB 3.18Å; D414-S418 PolarHBondContact O-N 3.33Å; D414-S418 VanDerWaalsContact O-N 3.11Å; D414-S418 PolarHBondContact O-OG 3.1Å; P415-S418 PolarHBondContact O-N 3.42Å; S418-Y490 WeakPolarHBondContact O-CA 3.28Å; S418-H491 PolarHBondContact O-N 3.09Å
419	E	97.7	Very high	91.9	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141	-177.4	-49.7	-177.2	162	0	0	110.7	Y421 N440 Q441 A442 S492 I494 R760	E419-Y421 HydrophobicContact CB-CE2 4.24Å; E419-N440 PolarHBondContact N-O 2.68Å; E419-Q441 HydrophobicContact CB-CG 4.25Å; E419-Q441 VanDerWaalsContact OE2-CG 3.26Å; E419-Q441 WeakPolarHBondContact OE2-CG 3.38Å; E419-Q441 PolarHBondContact OE2-NE2 3.12Å; E419-A442 WeakPolarHBondContact O-CB 3.47Å; E419-A442 PolarHBondContact O-N 3.38Å; E419-S492 CarbonylContact C-O 3.55Å; E419-S492 VanDerWaalsContact CA-O 3.32Å; E419-S492 WeakPolarHBondContact CA-O 3.39Å; E419-I494 HydrophobicContact CB-CD1 4.18Å; E419-R760 VanDerWaalsContact CD-NH1 3.29Å; E419-R760 IonicContact OE1-CZ 3.23Å; E419-R760 IonicContact OE1-NH1 3.42Å; E419-R760 PolarHBondContact OE1-NH1 3.06Å; E419-R760 VanDerWaalsContact OE1-NH1 3.14Å; E419-R760 IonicContact OE1-NH2 2.77Å; E419-R760 PolarHBondContact OE1-NH2 3.35Å; E419-R760 IonicContact OE2-CZ 2.92Å; E419-R760 IonicContact OE2-NH1 3.51Å; E419-R760 PolarHBondContact OE2-NH1 3.26Å; E419-R760 IonicContact OE2-NH2 3.82Å
420	L	97.3	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.8	174.8	177.2	65.6	0	0	0	110.3	L407 L422 A442 L444 A473 L474 Y490 S492 I493 I494	L407-L420 HydrophobicContact CD1-CD1 3.93Å; L420-L422 HydrophobicContact CD2-CD2 3.91Å; L420-L422 HydrophobicContact CG-CD2 4.01Å; L420-A442 HydrophobicContact CD1-CB 3.89Å; L420-L444 HydrophobicContact CD1-CB 4.02Å; L420-A473 HydrophobicContact CD2-CB 4.44Å; L420-L474 HydrophobicContact CD2-CD2 3.92Å; L420-Y490 HydrophobicContact CB-CD1 3.97Å; L420-Y490 HydrophobicContact CB-CD2 3.62Å; L420-Y490 HydrophobicContact CB-CE1 4.4Å; L420-Y490 HydrophobicContact CB-CE2 4.03Å; L420-Y490 HydrophobicContact CB-CG 3.59Å; L420-Y490 HydrophobicContact CD1-CE2 4.16Å; L420-Y490 HydrophobicContact CD2-CD2 3.82Å; L420-Y490 HydrophobicContact CD2-CE2 3.92Å; L420-Y490 HydrophobicContact CG-CD2 4.21Å; L420-Y490 HydrophobicContact CG-CE2 4.26Å; L420-S492 PolarHBondContact N-O 3.2Å; L420-I493 CarbonylContact O-C 3.56Å; L420-I493 WeakPolarHBondContact O-CA 3.42Å; L420-I494 PolarHBondContact O-N 2.91Å
421	Y	97.1	Very high	91.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.3	173	-73	-103.9	0	0	0	110.5	E419 Q441 A442 I443 L444 I494 M496 M755 R760	E419-Y421 HydrophobicContact CB-CE2 4.24Å; Y421-Q441 HydrophobicContact CD2-CB 4.45Å; Y421-Q441 HydrophobicContact CE2-CB 4.25Å; Y421-Q441 HydrophobicContact CE2-CG 3.95Å; Y421-Q441 PolarHBondContact OH-NE2 2.85Å; Y421-A442 PolarHBondContact N-O 3.02Å; Y421-I443 HydrophobicContact CD2-CD1 4.15Å; Y421-I443 HydrophobicContact CG-CD1 4.08Å; Y421-L444 PolarHBondContact O-N 2.88Å; Y421-I494 CarbonylContact C-O 3.49Å; Y421-I494 WeakPolarHBondContact CA-O 3.26Å; Y421-I494 HydrophobicContact CD1-CB 4.07Å; Y421-I494 HydrophobicContact CD1-CD1 4.47Å; Y421-I494 HydrophobicContact CD1-CG2 3.79Å; Y421-I494 HydrophobicContact CD2-CD1 4.13Å; Y421-I494 HydrophobicContact CE1-CB 4.16Å; Y421-I494 HydrophobicContact CE1-CD1 3.98Å; Y421-I494 HydrophobicContact CE1-CG2 3.7Å; Y421-I494 HydrophobicContact CE2-CD1 3.57Å; Y421-I494 HydrophobicContact CG-CB 4.36Å; Y421-I494 VanDerWaalsContact CZ-CD1 3.49Å; Y421-M496 HydrophobicContact CD1-CB 4.32Å; Y421-M496 HydrophobicContact CD1-CE 4.23Å; Y421-M496 HydrophobicContact CD1-SD 3.89Å; Y421-M496 HydrophobicContact CE1-SD 4.18Å; Y421-M755 HydrophobicContact CD1-CE 4.4Å; Y421-M755 HydrophobicContact CD2-CE 4.34Å; Y421-M755 HydrophobicContact CE1-CB 4.47Å; Y421-M755 HydrophobicContact CE1-CE 4.31Å; Y421-M755 HydrophobicContact CE1-CG 4.04Å; Y421-M755 HydrophobicContact CE2-CE 4.27Å; Y421-M755 HydrophobicContact CG-CE 4.4Å; Y421-M755 WeakPolarHBondContact OH-CA 3.28Å; Y421-M755 PolarHBondContact OH-O 3.35Å; Y421-R760 PolarHBondContact OH-NH1 3.42Å
422	L	95.9	Very high	92	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.7	170.7	-55.2	-176.1	0	0	0	108.1	L420 L444 L446 L470 I493 I494 I495 M496 L510 F514	L420-L422 HydrophobicContact CD2-CD2 3.91Å; L420-L422 HydrophobicContact CG-CD2 4.01Å; L422-L444 HydrophobicContact CD2-CB 4.04Å; L422-L444 HydrophobicContact CD2-CD2 3.87Å; L422-L444 HydrophobicContact CD2-CG 4.34Å; L422-L446 HydrophobicContact CB-CD1 4.32Å; L422-L470 HydrophobicContact CD1-CD1 4.04Å; L422-L470 HydrophobicContact CD2-CD1 3.69Å; L422-I493 HydrophobicContact CD1-CG2 3.94Å; L422-I493 HydrophobicContact CG-CG2 4.22Å; L422-I494 PolarHBondContact N-O 2.82Å; L422-I495 HydrophobicContact CD1-CG1 4.43Å; L422-M496 PolarHBondContact O-N 2.72Å; L422-L510 HydrophobicContact CB-CD1 4.39Å; L422-L510 HydrophobicContact CD1-CD1 4.19Å; L422-L510 HydrophobicContact CD1-CD2 4.07Å; L422-F514 HydrophobicContact CD1-CE2 3.99Å; L422-F514 HydrophobicContact CD1-CZ 4.03Å
423	V	93.6	Very high	92.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.5	-168.7	-168.4	0	0	0	0	111.3	G425 A428 A432 I443 L444 P445 L446 M496	V423-G425 PolarHBondContact O-N 2.8Å; V423-A428 HydrophobicContact CG1-CB 3.61Å; V423-A432 HydrophobicContact CG2-CB 4.2Å; V423-I443 HydrophobicContact CG2-CG2 3.85Å; V423-L444 PolarHBondContact N-O 2.79Å; V423-P445 WeakPolarHBondContact O-CA 3.31Å; V423-L446 PolarHBondContact O-N 2.89Å; V423-M496 WeakPolarHBondContact CA-O 3.19Å; V423-M496 HydrophobicContact CB-CE 4.44Å; V423-M496 HydrophobicContact CG1-CE 3.94Å; V423-M496 HydrophobicContact CG2-CE 3.64Å
424	E	90.5	Very high	92.3	Very high	34 Å²	34	40 Å²	40	16%	0.159	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	113.2	174.8	178.5	168.9	-163.3	0	0	111.9	M496 T497 D498 G503 I506	E424-M496 PolarHBondContact N-O 3.39Å; E424-T497 HydrophobicContact CB-CG2 4.44Å; E424-D498 PolarHBondContact OE2-N 3.47Å; E424-G503 WeakPolarHBondContact OE2-CA 3.41Å; E424-I506 HydrophobicContact CB-CD1 4.34Å; E424-I506 HydrophobicContact CG-CD1 3.66Å; E424-I506 WeakPolarHBondContact OE1-CD1 3.25Å
425	G	86.9	Confident	92.3	Very high	23 Å²	23	36.9 Å²	36.9	24%	0.237	22%	0.219	C	C	.	.	H	α-helix	trans	74.3	163.9	173.4	0	0	0	0	0	115.7	V423 S427 G429 L446	V423-G425 PolarHBondContact O-N 2.8Å; G425-S427 VanDerWaalsContact C-N 3.31Å; G425-S427 PolarHBondContact O-N 3Å; G425-G429 PolarHBondContact O-N 3.5Å; G425-G429 VanDerWaalsContact O-N 3.12Å; G425-L446 WeakPolarHBondContact CA-O 3.4Å; G425-L446 PolarHBondContact N-O 2.93Å
426	D	85.3	Confident	92.4	Very high	84 Å²	84	37 Å²	37	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-71.7	-25.4	-179.1	-70.1	-24.2	0	0	0	112.5	G430 K447	D426-G430 PolarHBondContact O-N 3.15Å; D426-K447 VanDerWaalsContact CG-CE 3.46Å; D426-K447 WeakPolarHBondContact OD1-CE 3.3Å; D426-K447 IonicContact OD1-NZ 3.5Å; D426-K447 WeakPolarHBondContact OD2-CE 3.49Å; D426-K447 IonicContact OD2-NZ 3.46Å; D426-K447 PolarHBondContact OD2-NZ 2.85Å
427	S	85	Confident	92.4	Very high	89 Å²	89	37.3 Å²	37.3	62%	0.622	21%	0.208	S	C	*	.	H	α-helix	trans	-68.1	-60.9	-177.9	-171.7	0	0	0	0	111.3	G425 G429 G430 S431	G425-S427 VanDerWaalsContact C-N 3.31Å; G425-S427 PolarHBondContact O-N 3Å; S427-G429 VanDerWaalsContact C-N 3.26Å; S427-G429 PolarHBondContact O-N 3.34Å; S427-G430 WeakPolarHBondContact O-CA 3.39Å; S427-G430 PolarHBondContact O-N 2.82Å; S427-S431 PolarHBondContact O-N 2.9Å; S427-S431 VanDerWaalsContact O-N 3.16Å
428	A	86.7	Confident	92.4	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-35.5	174.3	0	0	0	0	0	111.1	V423 G430 S431 A432 L742	V423-A428 HydrophobicContact CG1-CB 3.61Å; A428-G430 VanDerWaalsContact C-N 3.26Å; A428-G430 PolarHBondContact O-N 2.6Å; A428-S431 PolarHBondContact O-N 2.92Å; A428-A432 VanDerWaalsContact O-CB 3.27Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.16Å; A428-L742 HydrophobicContact CB-CB 4.02Å
429	G	89.9	Confident	92.3	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-35.4	172.2	0	0	0	0	0	113.4	G425 S427 K433	G425-G429 PolarHBondContact O-N 3.5Å; G425-G429 VanDerWaalsContact O-N 3.12Å; S427-G429 VanDerWaalsContact C-N 3.26Å; S427-G429 PolarHBondContact O-N 3.34Å; G429-K433 VanDerWaalsContact O-CB 3.23Å; G429-K433 WeakPolarHBondContact O-CB 3.3Å; G429-K433 PolarHBondContact O-N 3.23Å
430	G	90.7	Very high	92.2	Very high	26 Å²	26	47.2 Å²	47.2	27%	0.268	24%	0.244	S	C	.	.	H	α-helix	trans	-67.3	-48	174.7	0	0	0	0	0	112.8	D426 S427 A428 K433 Q434	D426-G430 PolarHBondContact O-N 3.15Å; S427-G430 WeakPolarHBondContact O-CA 3.39Å; S427-G430 PolarHBondContact O-N 2.82Å; A428-G430 VanDerWaalsContact C-N 3.26Å; A428-G430 PolarHBondContact O-N 2.6Å; G430-K433 PolarHBondContact O-N 2.77Å; G430-Q434 WeakPolarHBondContact O-CG 3.32Å; G430-Q434 PolarHBondContact O-N 3.24Å; G430-Q434 VanDerWaalsContact O-N 3.16Å; G430-Q434 PolarHBondContact O-NE2 3.42Å
431	S	91.7	Very high	92.2	Very high	20 Å²	20	47.2 Å²	47.2	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-44.7	174.9	-64.2	0	0	0	0	111.6	S427 A428 K433 Q434 G435	S427-S431 PolarHBondContact O-N 2.9Å; S427-S431 VanDerWaalsContact O-N 3.16Å; A428-S431 PolarHBondContact O-N 2.92Å; S431-K433 PolarHBondContact O-N 3.15Å; S431-Q434 PolarHBondContact O-N 3.3Å; S431-Q434 VanDerWaalsContact O-N 3.16Å; S431-G435 PolarHBondContact O-N 3.48Å
432	A	93.1	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42	176.5	0	0	0	0	0	112	V423 A428 Q434 G435 R436 I443 M496 L750 M755	V423-A432 HydrophobicContact CG2-CB 4.2Å; A428-A432 VanDerWaalsContact O-CB 3.27Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.16Å; A432-Q434 VanDerWaalsContact C-N 3.27Å; A432-Q434 PolarHBondContact O-N 3.01Å; A432-G435 PolarHBondContact O-N 2.92Å; A432-R436 VanDerWaalsContact O-CB 3.28Å; A432-R436 WeakPolarHBondContact O-CB 3.41Å; A432-R436 PolarHBondContact O-N 3.49Å; A432-I443 HydrophobicContact CB-CD1 4.01Å; A432-I443 HydrophobicContact CB-CG1 4.42Å; A432-I443 HydrophobicContact CB-CG2 4.14Å; A432-M496 HydrophobicContact CB-CE 3.69Å; A432-L750 HydrophobicContact CB-CD2 3.92Å; A432-M755 HydrophobicContact CB-CE 4.34Å; A432-M755 HydrophobicContact CB-SD 4.24Å
433	K	93.7	Very high	92.2	Very high	126 Å²	126	47.2 Å²	47.2	55%	0.548	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-34.8	176.2	-177.5	178.7	175.9	-179.1	0	112.8	A408 G429 G430 S431	A408-K433 HydrophobicContact CB-CD 4.08Å; A408-K433 HydrophobicContact CB-CG 4.15Å; G429-K433 VanDerWaalsContact O-CB 3.23Å; G429-K433 WeakPolarHBondContact O-CB 3.3Å; G429-K433 PolarHBondContact O-N 3.23Å; G430-K433 PolarHBondContact O-N 2.77Å; S431-K433 PolarHBondContact O-N 3.15Å
434	Q	93.5	Very high	92.3	Very high	146 Å²	146	47.3 Å²	47.3	68%	0.682	24%	0.244	S	C	*	.	H	α-helix	trans	-78.6	-40.5	178.8	-70.7	174.8	56.2	0	0	112.3	G430 S431 A432 P747	G430-Q434 WeakPolarHBondContact O-CG 3.32Å; G430-Q434 PolarHBondContact O-N 3.24Å; G430-Q434 VanDerWaalsContact O-N 3.16Å; G430-Q434 PolarHBondContact O-NE2 3.42Å; S431-Q434 PolarHBondContact O-N 3.3Å; S431-Q434 VanDerWaalsContact O-N 3.16Å; A432-Q434 VanDerWaalsContact C-N 3.27Å; A432-Q434 PolarHBondContact O-N 3.01Å; Q434-P747 HydrophobicContact CB-CB 3.84Å; Q434-P747 HydrophobicContact CB-CG 3.78Å
435	G	91.8	Very high	92.4	Very high	13 Å²	13	46.3 Å²	46.3	13%	0.134	24%	0.241	C	C	.	.	H	α-helix	trans	-82.5	-20.2	-175.7	0	0	0	0	0	115.1	S431 A432	S431-G435 PolarHBondContact O-N 3.48Å; A432-G435 PolarHBondContact O-N 2.92Å
436	R	94.3	Very high	92.5	Very high	40 Å²	40	45.4 Å²	45.4	15%	0.151	23%	0.231	C	C	.	.	S	Bend	trans	-62.3	157.6	-174.1	73.5	-170.9	-172.6	153.3	1.8	115.1	A408 D409 A432 R438 Q441 I443 M755	A408-R436 PolarHBondContact O-NH1 3.13Å; D409-R436 PolarHBondContact O-NH1 2.77Å; D409-R436 PolarHBondContact O-NH2 2.76Å; A432-R436 VanDerWaalsContact O-CB 3.28Å; A432-R436 WeakPolarHBondContact O-CB 3.41Å; A432-R436 PolarHBondContact O-N 3.49Å; R436-R438 PolarHBondContact O-N 2.85Å; R436-R438 VanDerWaalsContact O-N 3.15Å; R436-Q441 HydrophobicContact CB-CB 4.02Å; R436-Q441 WeakPolarHBondContact CD-O 3.44Å; R436-Q441 PolarHBondContact NH1-O 3.34Å; R436-I443 HydrophobicContact CB-CD1 4.26Å; R436-I443 VanDerWaalsContact CD-CG1 3.47Å; R436-M755 HydrophobicContact CB-CE 3.57Å
437	N	95.2	Very high	92.4	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.332	23%	0.23	S	C	.	.			trans	-77.7	96.3	158.1	-174	-8	0	0	0	110.6	K439 N440 Q441 W751	N437-K439 PolarHBondContact O-N 2.82Å; N437-K439 WeakPolarHBondContact OD1-CB 3.27Å; N437-K439 PolarHBondContact OD1-N 3.35Å; N437-K439 VanDerWaalsContact OD1-N 3.08Å; N437-N440 WeakPolarHBondContact CB-OD1 3.46Å; N437-N440 PolarHBondContact ND2-OD1 2.99Å; N437-N440 PolarHBondContact O-N 2.88Å; N437-N440 VanDerWaalsContact O-N 3.16Å; N437-N440 PolarHBondContact O-OD1 3Å; N437-Q441 HydrophobicContact CB-CG 4.43Å; N437-Q441 WeakPolarHBondContact O-CB 3.28Å; N437-Q441 PolarHBondContact O-N 2.67Å; N437-W751 HydrophobicContact CB-CH2 3.7Å; N437-W751 HydrophobicContact CB-CZ3 3.63Å
438	R	94.2	Very high	92.2	Very high	169 Å²	169	44.5 Å²	44.5	64%	0.638	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-18.1	-179.7	70.5	177.6	-178.4	-178.4	-1.6	114.7	Q411 R436	Q411-R438 PolarHBondContact N-O 3.16Å; R436-R438 PolarHBondContact O-N 2.85Å; R436-R438 VanDerWaalsContact O-N 3.15Å
439	K	94.7	Very high	92.2	Very high	122 Å²	122	49.5 Å²	49.5	53%	0.53	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-49.8	177.7	-173.9	-176.8	173.8	-171.7	0	109.8	Q411 E412 N437	Q411-K439 CarbonylContact C-O 3.59Å; Q411-K439 WeakPolarHBondContact CA-O 3.29Å; Q411-K439 PolarHBondContact N-O 2.87Å; E412-K439 VanDerWaalsContact CB-O 3.31Å; E412-K439 WeakPolarHBondContact CB-O 3.33Å; E412-K439 PolarHBondContact N-O 2.91Å; N437-K439 PolarHBondContact O-N 2.82Å; N437-K439 WeakPolarHBondContact OD1-CB 3.27Å; N437-K439 PolarHBondContact OD1-N 3.35Å; N437-K439 VanDerWaalsContact OD1-N 3.08Å
440	N	95.4	Very high	92.1	Very high	29 Å²	29	49.8 Å²	49.8	16%	0.155	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-8.9	-170.2	65.9	-27.2	0	0	0	115.3	C410 E412 L417 E419 N437	C410-N440 VanDerWaalsContact CB-C 3.41Å; E412-N440 HydrophobicContact CB-CB 4.19Å; L417-N440 WeakPolarHBondContact O-CB 3.03Å; E419-N440 PolarHBondContact N-O 2.68Å; N437-N440 WeakPolarHBondContact CB-OD1 3.46Å; N437-N440 PolarHBondContact ND2-OD1 2.99Å; N437-N440 PolarHBondContact O-N 2.88Å; N437-N440 VanDerWaalsContact O-N 3.16Å; N437-N440 PolarHBondContact O-OD1 3Å
441	Q	97.4	Very high	92.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.5	-177	-64.9	-179.3	-25.1	0	0	112.3	E419 Y421 R436 N437 M755	E419-Q441 HydrophobicContact CB-CG 4.25Å; E419-Q441 VanDerWaalsContact OE2-CG 3.26Å; E419-Q441 WeakPolarHBondContact OE2-CG 3.38Å; E419-Q441 PolarHBondContact OE2-NE2 3.12Å; Y421-Q441 HydrophobicContact CD2-CB 4.45Å; Y421-Q441 HydrophobicContact CE2-CB 4.25Å; Y421-Q441 HydrophobicContact CE2-CG 3.95Å; Y421-Q441 PolarHBondContact OH-NE2 2.85Å; R436-Q441 HydrophobicContact CB-CB 4.02Å; R436-Q441 WeakPolarHBondContact CD-O 3.44Å; R436-Q441 PolarHBondContact NH1-O 3.34Å; N437-Q441 HydrophobicContact CB-CG 4.43Å; N437-Q441 WeakPolarHBondContact O-CB 3.28Å; N437-Q441 PolarHBondContact O-N 2.67Å; Q441-M755 PolarHBondContact NE2-O 2.84Å
442	A	96.7	Very high	92.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.5	171.4	0	0	0	0	0	110.9	L407 A408 C410 E419 L420 Y421 Y490	L407-A442 HydrophobicContact CD1-CB 4.43Å; A408-A442 CarbonylContact O-C 3.59Å; A408-A442 WeakPolarHBondContact O-CA 3.31Å; C410-A442 HydrophobicContact CB-CB 4.35Å; E419-A442 WeakPolarHBondContact O-CB 3.47Å; E419-A442 PolarHBondContact O-N 3.38Å; L420-A442 HydrophobicContact CD1-CB 3.89Å; Y421-A442 PolarHBondContact N-O 3.02Å; A442-Y490 HydrophobicContact CB-CD1 4.49Å; A442-Y490 HydrophobicContact CB-CE1 3.61Å
443	I	95.7	Very high	92.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	179.7	-50.3	-59.4	0	0	0	109.5	A408 Y421 V423 A432 R436 P445 M755	A408-I443 HydrophobicContact CB-CB 4.31Å; A408-I443 PolarHBondContact N-O 3.04Å; A408-I443 PolarHBondContact O-N 3.38Å; Y421-I443 HydrophobicContact CD2-CD1 4.15Å; Y421-I443 HydrophobicContact CG-CD1 4.08Å; V423-I443 HydrophobicContact CG2-CG2 3.85Å; A432-I443 HydrophobicContact CB-CD1 4.01Å; A432-I443 HydrophobicContact CB-CG1 4.42Å; A432-I443 HydrophobicContact CB-CG2 4.14Å; R436-I443 HydrophobicContact CB-CD1 4.26Å; R436-I443 VanDerWaalsContact CD-CG1 3.47Å; I443-P445 HydrophobicContact CG2-CG 4.39Å; I443-M755 HydrophobicContact CD1-CE 3.78Å
444	L	95	Very high	91.8	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	100.1	172.3	-178.5	60.5	0	0	0	110.1	K406 L407 L420 Y421 L422 V423 L446 T469 L470 A473	K406-L444 HydrophobicContact CB-CD1 4.44Å; L407-L444 HydrophobicContact CB-CD1 4.3Å; L407-L444 HydrophobicContact CD1-CB 4Å; L407-L444 HydrophobicContact CD1-CD1 4.39Å; L420-L444 HydrophobicContact CD1-CB 4.02Å; Y421-L444 PolarHBondContact O-N 2.88Å; L422-L444 HydrophobicContact CD2-CB 4.04Å; L422-L444 HydrophobicContact CD2-CD2 3.87Å; L422-L444 HydrophobicContact CD2-CG 4.34Å; V423-L444 PolarHBondContact N-O 2.79Å; L444-L446 HydrophobicContact CG-CD2 4.41Å; L444-T469 HydrophobicContact CD1-CG2 3.77Å; L444-L470 HydrophobicContact CD2-CD1 4.04Å; L444-A473 HydrophobicContact CD2-CB 4.06Å
445	P	93.1	Very high	91.3	Very high	14 Å²	14	44 Å²	44	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.4	172	-16	30.8	0	0	0	110.9	K406 V423 I443	K406-P445 VanDerWaalsContact O-CD 3.26Å; K406-P445 WeakPolarHBondContact O-CD 3.18Å; V423-P445 WeakPolarHBondContact O-CA 3.31Å; I443-P445 HydrophobicContact CG2-CG 4.39Å
446	L	90.3	Very high	90.8	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.8	175.7	-60.3	177.8	0	0	0	109.7	L422 V423 G425 L444 G448 I506 L510	L422-L446 HydrophobicContact CB-CD1 4.32Å; V423-L446 PolarHBondContact O-N 2.89Å; G425-L446 WeakPolarHBondContact CA-O 3.4Å; G425-L446 PolarHBondContact N-O 2.93Å; L444-L446 HydrophobicContact CG-CD2 4.41Å; L446-G448 PolarHBondContact O-N 3.01Å; L446-I506 HydrophobicContact CD1-CG2 4.44Å; L446-L510 HydrophobicContact CD1-CD1 3.83Å; L446-L510 HydrophobicContact CD1-CD2 3.98Å; L446-L510 HydrophobicContact CD1-CG 4.32Å
447	K	82.7	Confident	90	Very high	103 Å²	103	49.2 Å²	49.2	45%	0.448	23%	0.232	S	C	.	.			trans	-91	108.3	178.6	-70.5	-164.5	179.4	-149.5	0	110.7	D426 E466	D426-K447 VanDerWaalsContact CG-CE 3.46Å; D426-K447 WeakPolarHBondContact OD1-CE 3.3Å; D426-K447 IonicContact OD1-NZ 3.5Å; D426-K447 WeakPolarHBondContact OD2-CE 3.49Å; D426-K447 IonicContact OD2-NZ 3.46Å; D426-K447 PolarHBondContact OD2-NZ 2.85Å; K447-E466 PolarHBondContact N-OE2 2.92Å; K447-E466 VanDerWaalsContact N-OE2 3.12Å
448	G	81.4	Confident	89.2	Confident	51 Å²	51	49.3 Å²	49.3	53%	0.526	23%	0.229	S	C	.	.	S	Bend	trans	67.8	-160.7	179.5	0	0	0	0	0	112.7	L446	L446-G448 PolarHBondContact O-N 3.01Å
449	K	85	Confident	88.4	Confident	109 Å²	109	45.2 Å²	45.2	47%	0.474	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-77.4	129.9	-177.9	-66.5	173.5	177.3	165.5	0	110.3	D502 H505 I506 L509	K449-D502 WeakPolarHBondContact CE-OD1 3.11Å; K449-D502 IonicContact NZ-OD1 3.85Å; K449-D502 PolarHBondContact NZ-OD1 3.26Å; K449-H505 WeakPolarHBondContact CE-ND1 3.34Å; K449-I506 HydrophobicContact CG-CG1 4.36Å; K449-L509 HydrophobicContact CB-CD1 4.12Å
450	I	89.1	Confident	87.8	Confident	9 Å²	9	45 Å²	45	5%	0.046	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-68.3	153.1	174.1	-167	174.5	0	0	0	110.6	N452 V467 L470 L509 L510	I450-N452 PolarHBondContact O-N 2.81Å; I450-V467 HydrophobicContact CD1-CG2 4.1Å; I450-V467 HydrophobicContact CG1-CG2 3.87Å; I450-L470 HydrophobicContact CD1-CD2 4.13Å; I450-L509 HydrophobicContact CG2-CB 3.26Å; I450-L509 HydrophobicContact CG2-CD1 4.04Å; I450-L509 HydrophobicContact CG2-CG 4.2Å; I450-L509 WeakPolarHBondContact O-CD1 3.48Å; I450-L510 HydrophobicContact CD1-CD2 3.82Å
451	L	91.8	Very high	87.3	Confident	47 Å²	47	43.7 Å²	43.7	25%	0.246	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59.9	130.2	177.4	-178.4	71.3	0	0	0	110.3	V453 A456 K460 V467	L451-V453 PolarHBondContact O-N 2.86Å; L451-A456 HydrophobicContact CD2-CB 3.73Å; L451-A456 HydrophobicContact CG-CB 4.16Å; L451-K460 HydrophobicContact CD2-CG 4.48Å; L451-V467 HydrophobicContact CB-CG2 4.27Å
452	N	92.4	Very high	86.6	Confident	31 Å²	31	45.8 Å²	45.8	17%	0.166	22%	0.223	C	C	.	.			trans	-68.4	105.8	169.8	-177.5	-3.6	0	0	0	109.7	I450 E454 K455 L509 M781	I450-N452 PolarHBondContact O-N 2.81Å; N452-E454 VanDerWaalsContact C-N 3.27Å; N452-E454 PolarHBondContact O-N 2.67Å; N452-E454 VanDerWaalsContact OD1-CB 3.23Å; N452-E454 WeakPolarHBondContact OD1-CB 3.14Å; N452-E454 PolarHBondContact OD1-N 3.3Å; N452-K455 PolarHBondContact O-N 3.38Å; N452-L509 HydrophobicContact CB-CD2 3.61Å; N452-M781 PolarHBondContact ND2-O 2.86Å
453	V	90.3	Very high	85.9	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.036	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-74.4	-16.4	-176.9	-59.7	0	0	0	0	113.9	L451 K455 A456 M461 T512 F513 R516 Q517	L451-V453 PolarHBondContact O-N 2.86Å; V453-K455 VanDerWaalsContact C-N 3.25Å; V453-K455 PolarHBondContact O-N 2.9Å; V453-A456 PolarHBondContact O-N 3.36Å; V453-M461 HydrophobicContact CB-SD 4.24Å; V453-M461 HydrophobicContact CG1-CG 3.91Å; V453-M461 HydrophobicContact CG1-SD 3.76Å; V453-T512 HydrophobicContact CG2-CG2 4.16Å; V453-F513 HydrophobicContact CG1-CD2 3.94Å; V453-F513 HydrophobicContact CG2-CB 4.33Å; V453-R516 HydrophobicContact CG2-CB 4.3Å; V453-Q517 HydrophobicContact CG2-CG 4.46Å
454	E	87.8	Confident	85.5	Confident	40 Å²	40	51.5 Å²	51.5	19%	0.187	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.7	-38.1	175.5	-167.6	67.2	-177.7	0	0	111.4	N452 T512 R516 M781	N452-E454 VanDerWaalsContact C-N 3.27Å; N452-E454 PolarHBondContact O-N 2.67Å; N452-E454 VanDerWaalsContact OD1-CB 3.23Å; N452-E454 WeakPolarHBondContact OD1-CB 3.14Å; N452-E454 PolarHBondContact OD1-N 3.3Å; E454-T512 HydrophobicContact CB-CG2 4.16Å; E454-R516 IonicContact OE1-CZ 2.73Å; E454-R516 IonicContact OE1-NE 3.72Å; E454-R516 PolarHBondContact OE1-NE 3.3Å; E454-R516 IonicContact OE1-NH2 3.35Å; E454-R516 PolarHBondContact OE1-NH2 2.83Å; E454-R516 WeakPolarHBondContact OE2-CD 3.26Å; E454-R516 WeakPolarHBondContact OE2-CG 3.14Å; E454-R516 IonicContact OE2-CZ 3.58Å; E454-R516 IonicContact OE2-NE 3.68Å; E454-R516 PolarHBondContact OE2-NE 2.84Å; E454-R516 IonicContact OE2-NH2 3.98Å; E454-M781 HydrophobicContact CB-CB 3.81Å; E454-M781 HydrophobicContact CG-CB 4.02Å
455	K	82.8	Confident	85.1	Confident	73 Å²	73	57.8 Å²	57.8	32%	0.317	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-93.8	-3.3	-177.5	-57	-173.8	165.5	-140.1	0	113.4	N452 V453 M781 G782 D783	N452-K455 PolarHBondContact O-N 3.38Å; V453-K455 VanDerWaalsContact C-N 3.25Å; V453-K455 PolarHBondContact O-N 2.9Å; K455-M781 WeakPolarHBondContact CE-O 3.45Å; K455-M781 VanDerWaalsContact CG-O 3.25Å; K455-M781 WeakPolarHBondContact CG-O 3.39Å; K455-G782 WeakPolarHBondContact CE-O 3.07Å; K455-G782 PolarHBondContact NZ-O 3.01Å; K455-G782 VanDerWaalsContact NZ-O 3.15Å; K455-D783 WeakPolarHBondContact CD-OD1 3.32Å; K455-D783 VanDerWaalsContact CE-OD1 3.23Å; K455-D783 WeakPolarHBondContact CE-OD1 3.48Å; K455-D783 WeakPolarHBondContact CG-OD1 3.3Å; K455-D783 IonicContact NZ-OD1 3.68Å; K455-D783 PolarHBondContact NZ-OD1 3.18Å; K455-D783 VanDerWaalsContact NZ-OD1 3.15Å
456	A	82.4	Confident	84.8	Confident	7 Å²	7	58.4 Å²	58.4	6%	0.058	29%	0.294	C	S	.	.	S	Bend	trans	-110.8	131	-170.4	0	0	0	0	0	110.8	L451 V453 K460	L451-A456 HydrophobicContact CD2-CB 3.73Å; L451-A456 HydrophobicContact CG-CB 4.16Å; V453-A456 PolarHBondContact O-N 3.36Å; A456-K460 HydrophobicContact CB-CD 4.41Å
457	R	77.5	Confident	84.7	Confident	155 Å²	155	58.2 Å²	58.2	59%	0.585	29%	0.293	S	S	*	.			trans	-61.1	154.5	166.2	-68.2	-178.5	179.4	-164.8	-2.3	110.6	F262 D459 K460 M461	F262-R457 HydrophobicContact CE1-CG 3.84Å; F262-R457 HydrophobicContact CE2-CG 4.13Å; F262-R457 HydrophobicContact CZ-CB 4.4Å; F262-R457 HydrophobicContact CZ-CG 3.43Å; F262-R457 VanDerWaalsContact CZ-CG 3.43Å; R457-D459 VanDerWaalsContact C-N 3.29Å; R457-D459 WeakPolarHBondContact CB-OD1 3.42Å; R457-D459 PolarHBondContact O-N 3.36Å; R457-K460 PolarHBondContact O-N 3.45Å; R457-K460 VanDerWaalsContact O-N 3.12Å; R457-M461 PolarHBondContact O-N 3.34Å
458	F	78.6	Confident	84.9	Confident	63 Å²	63	54.9 Å²	54.9	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-58	-37.8	-176.9	-166.9	-102.1	0	0	0	113.6	A385 M461 L462 I478	A385-F458 HydrophobicContact CB-CD1 4.37Å; F458-M461 HydrophobicContact CD2-CE 3.34Å; F458-M461 HydrophobicContact CE2-CE 3.38Å; F458-M461 HydrophobicContact CG-CE 4.17Å; F458-M461 HydrophobicContact CZ-CE 4.24Å; F458-M461 WeakPolarHBondContact O-CB 3.47Å; F458-M461 PolarHBondContact O-N 2.73Å; F458-L462 HydrophobicContact CD1-CD1 3.96Å; F458-L462 HydrophobicContact CD1-CG 4.4Å; F458-L462 HydrophobicContact CE1-CD1 3.68Å; F458-L462 HydrophobicContact CE1-CG 4.23Å; F458-L462 HydrophobicContact CZ-CD1 4.46Å; F458-L462 WeakPolarHBondContact O-CG 3.29Å; F458-L462 PolarHBondContact O-N 2.78Å; F458-I478 HydrophobicContact CE2-CG1 4.22Å; F458-I478 HydrophobicContact CZ-CG1 4.48Å; F458-I478 HydrophobicContact CZ-CG2 4.12Å
459	D	76.2	Confident	85.2	Confident	84 Å²	84	52.9 Å²	52.9	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-42.5	176	65.4	-46.4	0	0	0	112.7	R457 M461 L462 S463	R457-D459 VanDerWaalsContact C-N 3.29Å; R457-D459 WeakPolarHBondContact CB-OD1 3.42Å; R457-D459 PolarHBondContact O-N 3.36Å; D459-M461 VanDerWaalsContact C-N 3.29Å; D459-M461 PolarHBondContact O-N 2.89Å; D459-L462 PolarHBondContact O-N 2.9Å; D459-S463 PolarHBondContact O-N 3.43Å; D459-S463 VanDerWaalsContact O-N 3.1Å
460	K	81.6	Confident	85.5	Confident	117 Å²	117	47.7 Å²	47.7	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-65.3	-34.4	174.4	-174.3	178.1	-179.9	-177.6	0	111.8	L451 A456 R457 S463 S464	L451-K460 HydrophobicContact CD2-CG 4.48Å; A456-K460 HydrophobicContact CB-CD 4.41Å; R457-K460 PolarHBondContact O-N 3.45Å; R457-K460 VanDerWaalsContact O-N 3.12Å; K460-S463 PolarHBondContact O-N 3.16Å; K460-S463 PolarHBondContact O-OG 3.16Å; K460-S464 PolarHBondContact O-N 3.35Å
461	M	85	Confident	85.5	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-64.9	-46	173.6	-179.4	-173.3	65	0	0	111.2	V453 R457 F458 D459 S463 S464 V467 I478 F513 Q517	V453-M461 HydrophobicContact CB-SD 4.24Å; V453-M461 HydrophobicContact CG1-CG 3.91Å; V453-M461 HydrophobicContact CG1-SD 3.76Å; R457-M461 PolarHBondContact O-N 3.34Å; F458-M461 HydrophobicContact CD2-CE 3.34Å; F458-M461 HydrophobicContact CE2-CE 3.38Å; F458-M461 HydrophobicContact CG-CE 4.17Å; F458-M461 HydrophobicContact CZ-CE 4.24Å; F458-M461 WeakPolarHBondContact O-CB 3.47Å; F458-M461 PolarHBondContact O-N 2.73Å; D459-M461 VanDerWaalsContact C-N 3.29Å; D459-M461 PolarHBondContact O-N 2.89Å; M461-S463 VanDerWaalsContact C-N 3.26Å; M461-S463 PolarHBondContact O-N 3.3Å; M461-S464 WeakPolarHBondContact O-CB 3.16Å; M461-S464 PolarHBondContact O-N 2.68Å; M461-S464 VanDerWaalsContact O-N 3.14Å; M461-V467 HydrophobicContact CG-CB 4.47Å; M461-V467 HydrophobicContact CG-CG1 3.64Å; M461-V467 HydrophobicContact SD-CG1 4.36Å; M461-I478 HydrophobicContact CE-CD1 3.37Å; M461-I478 HydrophobicContact CE-CG1 4.18Å; M461-I478 HydrophobicContact SD-CD1 3.95Å; M461-F513 HydrophobicContact SD-CE2 4.35Å; M461-Q517 HydrophobicContact CE-CG 4.41Å; M461-Q517 HydrophobicContact SD-CG 3.78Å
462	L	82.6	Confident	85.3	Confident	45 Å²	45	50 Å²	50	24%	0.236	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-24.3	178.4	-69	179	0	0	0	113.8	A385 R389 F458 D459 S464 I471 I478	A385-L462 HydrophobicContact CB-CD1 4.49Å; R389-L462 HydrophobicContact CG-CD1 4.46Å; F458-L462 HydrophobicContact CD1-CD1 3.96Å; F458-L462 HydrophobicContact CD1-CG 4.4Å; F458-L462 HydrophobicContact CE1-CD1 3.68Å; F458-L462 HydrophobicContact CE1-CG 4.23Å; F458-L462 HydrophobicContact CZ-CD1 4.46Å; F458-L462 WeakPolarHBondContact O-CG 3.29Å; F458-L462 PolarHBondContact O-N 2.78Å; D459-L462 PolarHBondContact O-N 2.9Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-I471 HydrophobicContact CD2-CD1 4.21Å; L462-I478 HydrophobicContact CD2-CG2 3.73Å
463	S	83	Confident	85.3	Confident	95 Å²	95	48.8 Å²	48.8	66%	0.664	25%	0.25	S	C	*	.	H	α-helix	trans	-80.9	-12	175.2	69.1	0	0	0	0	113.6	D459 K460 M461 Q465	D459-S463 PolarHBondContact O-N 3.43Å; D459-S463 VanDerWaalsContact O-N 3.1Å; K460-S463 PolarHBondContact O-N 3.16Å; K460-S463 PolarHBondContact O-OG 3.16Å; M461-S463 VanDerWaalsContact C-N 3.26Å; M461-S463 PolarHBondContact O-N 3.3Å; S463-Q465 PolarHBondContact O-N 3.44Å
464	S	86.7	Confident	85.4	Confident	26 Å²	26	48.5 Å²	48.5	18%	0.182	25%	0.248	C	C	.	.			trans	-73.2	122.2	174.7	179	0	0	0	0	111	K460 M461 L462 E466 V467 A468	K460-S464 PolarHBondContact O-N 3.35Å; M461-S464 WeakPolarHBondContact O-CB 3.16Å; M461-S464 PolarHBondContact O-N 2.68Å; M461-S464 VanDerWaalsContact O-N 3.14Å; L462-S464 VanDerWaalsContact C-N 3.32Å; S464-E466 PolarHBondContact O-N 3.39Å; S464-V467 PolarHBondContact O-N 3.06Å; S464-A468 VanDerWaalsContact O-CB 3.29Å; S464-A468 WeakPolarHBondContact O-CB 3.24Å; S464-A468 PolarHBondContact O-N 3.34Å
465	Q	86.3	Confident	85.5	Confident	134 Å²	134	48.6 Å²	48.6	63%	0.626	26%	0.26	S	S	*	.	H	α-helix	trans	-62.1	-41.9	-178.6	-173.4	176.7	7.7	0	0	112.7	S463 T469	S463-Q465 PolarHBondContact O-N 3.44Å; Q465-T469 WeakPolarHBondContact O-CB 3.46Å; Q465-T469 PolarHBondContact O-N 2.76Å; Q465-T469 PolarHBondContact O-OG1 2.85Å
466	E	87.6	Confident	85.8	Confident	26 Å²	26	45.2 Å²	45.2	12%	0.121	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-43.7	179.3	-60.4	-54.9	120.4	0	0	110.9	K406 K447 S464 T469 L470	K406-E466 IonicContact NZ-OE1 2.82Å; K406-E466 PolarHBondContact NZ-OE1 2.9Å; K406-E466 IonicContact NZ-OE2 3.27Å; K406-E466 PolarHBondContact NZ-OE2 2.79Å; K447-E466 PolarHBondContact N-OE2 2.92Å; K447-E466 VanDerWaalsContact N-OE2 3.12Å; S464-E466 PolarHBondContact O-N 3.39Å; E466-T469 PolarHBondContact O-N 2.91Å; E466-L470 WeakPolarHBondContact O-CB 3.22Å; E466-L470 PolarHBondContact O-N 3.14Å
467	V	88.6	Confident	86	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-44.2	178.3	179.9	0	0	0	0	111.1	I450 L451 M461 S464 T469 L470 I471 F513	I450-V467 HydrophobicContact CD1-CG2 4.1Å; I450-V467 HydrophobicContact CG1-CG2 3.87Å; L451-V467 HydrophobicContact CB-CG2 4.27Å; M461-V467 HydrophobicContact CG-CB 4.47Å; M461-V467 HydrophobicContact CG-CG1 3.64Å; M461-V467 HydrophobicContact SD-CG1 4.36Å; S464-V467 PolarHBondContact O-N 3.06Å; V467-T469 VanDerWaalsContact C-N 3.3Å; V467-T469 PolarHBondContact O-N 2.83Å; V467-L470 WeakPolarHBondContact O-CB 3.32Å; V467-L470 PolarHBondContact O-N 3.26Å; V467-I471 HydrophobicContact CG1-CD1 3.65Å; V467-I471 HydrophobicContact CG1-CG1 4.28Å; V467-I471 WeakPolarHBondContact O-CD1 3.32Å; V467-I471 VanDerWaalsContact O-CG1 3.26Å; V467-I471 WeakPolarHBondContact O-CG1 3.15Å; V467-I471 PolarHBondContact O-N 3.21Å; V467-F513 HydrophobicContact CG1-CD2 4.37Å; V467-F513 HydrophobicContact CG1-CE2 3.74Å; V467-F513 HydrophobicContact CG1-CZ 4.48Å
468	A	85.8	Confident	86.3	Confident	33 Å²	33	38.6 Å²	38.6	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-60.7	-39.6	176	0	0	0	0	0	112.2	S464 T472	S464-A468 VanDerWaalsContact O-CB 3.29Å; S464-A468 WeakPolarHBondContact O-CB 3.24Å; S464-A468 PolarHBondContact O-N 3.34Å; A468-T472 WeakPolarHBondContact O-CB 3.4Å; A468-T472 PolarHBondContact O-N 3.36Å; A468-T472 PolarHBondContact O-OG1 2.75Å
469	T	88	Confident	86.2	Confident	9 Å²	9	36.3 Å²	36.3	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-43.9	175.4	-56	0	0	0	0	110.9	P404 L444 Q465 E466 V467 T472 A473	P404-T469 HydrophobicContact CB-CG2 4.41Å; P404-T469 HydrophobicContact CG-CG2 4.14Å; L444-T469 HydrophobicContact CD1-CG2 3.77Å; Q465-T469 WeakPolarHBondContact O-CB 3.46Å; Q465-T469 PolarHBondContact O-N 2.76Å; Q465-T469 PolarHBondContact O-OG1 2.85Å; E466-T469 PolarHBondContact O-N 2.91Å; V467-T469 VanDerWaalsContact C-N 3.3Å; V467-T469 PolarHBondContact O-N 2.83Å; T469-T472 PolarHBondContact O-N 2.86Å; T469-A473 WeakPolarHBondContact O-CB 3.39Å; T469-A473 PolarHBondContact O-N 3.27Å
470	L	91.6	Very high	85.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-49.7	176.5	178.8	60.3	0	0	0	111.9	L422 L444 I450 E466 V467 T472 A473 L474 L510 F513	L422-L470 HydrophobicContact CD1-CD1 4.04Å; L422-L470 HydrophobicContact CD2-CD1 3.69Å; L444-L470 HydrophobicContact CD2-CD1 4.04Å; I450-L470 HydrophobicContact CD1-CD2 4.13Å; E466-L470 WeakPolarHBondContact O-CB 3.22Å; E466-L470 PolarHBondContact O-N 3.14Å; V467-L470 WeakPolarHBondContact O-CB 3.32Å; V467-L470 PolarHBondContact O-N 3.26Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 2.77Å; L470-A473 PolarHBondContact O-N 2.98Å; L470-A473 VanDerWaalsContact O-N 3.17Å; L470-L474 HydrophobicContact CD1-CD1 4.09Å; L470-L474 HydrophobicContact CD1-CG 4.2Å; L470-L474 HydrophobicContact CG-CD1 4.05Å; L470-L474 VanDerWaalsContact O-CG 3.32Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 3.02Å; L470-L510 HydrophobicContact CD2-CD2 4.18Å; L470-F513 HydrophobicContact CD2-CD1 3.7Å; L470-F513 HydrophobicContact CD2-CE1 3.52Å; L470-F513 HydrophobicContact CD2-CG 4.4Å; L470-F513 HydrophobicContact CD2-CZ 4.08Å; L470-F513 HydrophobicContact CG-CE1 4.14Å
471	I	89.3	Confident	85.4	Confident	19 Å²	19	38.5 Å²	38.5	10%	0.097	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-43.8	177.5	-65.4	155.9	0	0	0	110.8	L462 V467 L474 G475 I478 F513 M518	L462-I471 HydrophobicContact CD2-CD1 4.21Å; V467-I471 HydrophobicContact CG1-CD1 3.65Å; V467-I471 HydrophobicContact CG1-CG1 4.28Å; V467-I471 WeakPolarHBondContact O-CD1 3.32Å; V467-I471 VanDerWaalsContact O-CG1 3.26Å; V467-I471 WeakPolarHBondContact O-CG1 3.15Å; V467-I471 PolarHBondContact O-N 3.21Å; I471-L474 PolarHBondContact O-N 3.34Å; I471-G475 PolarHBondContact O-N 3.17Å; I471-G475 VanDerWaalsContact O-N 3.13Å; I471-I478 HydrophobicContact CD1-CB 4.16Å; I471-I478 HydrophobicContact CD1-CD1 3.61Å; I471-I478 HydrophobicContact CD1-CG1 4.49Å; I471-I478 HydrophobicContact CD1-CG2 3.82Å; I471-I478 HydrophobicContact CG1-CB 4.22Å; I471-I478 HydrophobicContact CG1-CD1 3.86Å; I471-I478 HydrophobicContact CG1-CG2 4.35Å; I471-I478 HydrophobicContact CG2-CB 4.07Å; I471-I478 HydrophobicContact CG2-CG2 4.07Å; I471-F513 HydrophobicContact CG1-CZ 4.11Å; I471-M518 HydrophobicContact CG1-CE 4.41Å
472	T	87.5	Confident	85.1	Confident	85 Å²	85	41.7 Å²	41.7	52%	0.521	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-41.3	179.1	-56.1	0	0	0	0	111.4	L403 A468 T469 L470 G475	L403-T472 HydrophobicContact CD2-CG2 4.09Å; A468-T472 WeakPolarHBondContact O-CB 3.4Å; A468-T472 PolarHBondContact O-N 3.36Å; A468-T472 PolarHBondContact O-OG1 2.75Å; T469-T472 PolarHBondContact O-N 2.86Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 2.77Å; T472-G475 PolarHBondContact O-N 3.28Å
473	A	91.6	Very high	85.3	Confident	6 Å²	6	41.1 Å²	41.1	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-46.2	176.6	0	0	0	0	0	111.3	L407 L420 L444 T469 L470 G475 Y490	L407-A473 HydrophobicContact CD1-CB 4.47Å; L407-A473 HydrophobicContact CD2-CB 3.99Å; L420-A473 HydrophobicContact CD2-CB 4.44Å; L444-A473 HydrophobicContact CD2-CB 4.06Å; T469-A473 WeakPolarHBondContact O-CB 3.39Å; T469-A473 PolarHBondContact O-N 3.27Å; L470-A473 PolarHBondContact O-N 2.98Å; L470-A473 VanDerWaalsContact O-N 3.17Å; A473-G475 VanDerWaalsContact C-N 3.31Å; A473-G475 PolarHBondContact O-N 2.78Å; A473-Y490 VanDerWaalsContact O-CE2 3.22Å; A473-Y490 WeakPolarHBondContact O-CE2 3.34Å
474	L	93.4	Very high	85.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-32.4	-178.8	-66.9	171	0	0	0	113	L420 L470 I471 C476 L488 R489 I493 F513 F514 M518	L420-L474 HydrophobicContact CD2-CD2 3.92Å; L470-L474 HydrophobicContact CD1-CD1 4.09Å; L470-L474 HydrophobicContact CD1-CG 4.2Å; L470-L474 HydrophobicContact CG-CD1 4.05Å; L470-L474 VanDerWaalsContact O-CG 3.32Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 3.02Å; I471-L474 PolarHBondContact O-N 3.34Å; L474-C476 PolarHBondContact O-N 2.87Å; L474-C476 VanDerWaalsContact O-N 3.13Å; L474-L488 HydrophobicContact CB-CD1 4.14Å; L474-L488 HydrophobicContact CD2-CD1 4.05Å; L474-R489 WeakPolarHBondContact O-CB 3.24Å; L474-R489 PolarHBondContact O-N 3.41Å; L474-I493 HydrophobicContact CD2-CD1 3.53Å; L474-I493 HydrophobicContact CD2-CG1 3.93Å; L474-F513 HydrophobicContact CD1-CE1 4.34Å; L474-F514 HydrophobicContact CD1-CE1 3.9Å; L474-F514 HydrophobicContact CD1-CZ 4.43Å; L474-M518 HydrophobicContact CD1-CE 3.97Å; L474-M518 HydrophobicContact CD1-SD 3.64Å
475	G	89.3	Confident	85.8	Confident	43 Å²	43	38.8 Å²	38.8	44%	0.443	22%	0.217	S	C	.	.			trans	75.4	-4.4	171.8	0	0	0	0	0	115.9	I471 T472 A473	I471-G475 PolarHBondContact O-N 3.17Å; I471-G475 VanDerWaalsContact O-N 3.13Å; T472-G475 PolarHBondContact O-N 3.28Å; A473-G475 VanDerWaalsContact C-N 3.31Å; A473-G475 PolarHBondContact O-N 2.78Å
476	C	89.4	Confident	86	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.014	22%	0.216	C	C	.	.	S	Bend	trans	-85.2	-3.5	179.1	57.5	0	0	0	0	114.3	L474 Y483 N484 L488	L474-C476 PolarHBondContact O-N 2.87Å; L474-C476 VanDerWaalsContact O-N 3.13Å; C476-Y483 HydrophobicContact CB-CD2 4.32Å; C476-Y483 HydrophobicContact CB-CE2 4.36Å; C476-Y483 CarbonylContact O-C 3.6Å; C476-Y483 VanDerWaalsContact O-CA 3.26Å; C476-Y483 WeakPolarHBondContact O-CA 3.36Å; C476-N484 VanDerWaalsContact CB-O 3.25Å; C476-N484 WeakPolarHBondContact CB-O 3.34Å; C476-N484 PolarHBondContact O-N 2.8Å; C476-L488 HydrophobicContact CB-CB 4.4Å; C476-L488 HydrophobicContact CB-CD1 4.42Å
477	G	85.6	Confident	86.2	Confident	19 Å²	19	43.2 Å²	43.2	20%	0.196	24%	0.239	C	C	.	.			trans	74.2	-175.7	-171.9	0	0	0	0	0	112.7	M518	G477-M518 WeakPolarHBondContact O-CE 3.3Å
478	I	85.2	Confident	86.5	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	24%	0.239	C	C	.	.			trans	-147.2	148.5	177.4	-165.6	166	0	0	0	111.6	R389 F458 M461 L462 I471 F513 Q517 M518	R389-I478 PolarHBondContact NH2-O 3.48Å; F458-I478 HydrophobicContact CE2-CG1 4.22Å; F458-I478 HydrophobicContact CZ-CG1 4.48Å; F458-I478 HydrophobicContact CZ-CG2 4.12Å; M461-I478 HydrophobicContact CE-CD1 3.37Å; M461-I478 HydrophobicContact CE-CG1 4.18Å; M461-I478 HydrophobicContact SD-CD1 3.95Å; L462-I478 HydrophobicContact CD2-CG2 3.73Å; I471-I478 HydrophobicContact CD1-CB 4.16Å; I471-I478 HydrophobicContact CD1-CD1 3.61Å; I471-I478 HydrophobicContact CD1-CG1 4.49Å; I471-I478 HydrophobicContact CD1-CG2 3.82Å; I471-I478 HydrophobicContact CG1-CB 4.22Å; I471-I478 HydrophobicContact CG1-CD1 3.86Å; I471-I478 HydrophobicContact CG1-CG2 4.35Å; I471-I478 HydrophobicContact CG2-CB 4.07Å; I471-I478 HydrophobicContact CG2-CG2 4.07Å; I478-F513 HydrophobicContact CD1-CE2 3.94Å; I478-F513 HydrophobicContact CD1-CZ 4.15Å; I478-Q517 HydrophobicContact CD1-CB 3.96Å; I478-Q517 HydrophobicContact CD1-CG 4.2Å; I478-Q517 HydrophobicContact CG1-CB 4.32Å; I478-M518 HydrophobicContact CB-CE 4.34Å; I478-M518 HydrophobicContact CD1-CE 4.35Å; I478-M518 HydrophobicContact CG1-CE 4.31Å
479	G	76.8	Confident	86.9	Confident	15 Å²	15	44 Å²	44	16%	0.155	24%	0.235	C	C	.	.	S	Bend	trans	75.6	165.9	-179.2	0	0	0	0	0	112.9	D481 E482 Y483	G479-D481 VanDerWaalsContact C-N 3.31Å; G479-D481 PolarHBondContact O-N 3.09Å; G479-D481 VanDerWaalsContact O-N 3.11Å; G479-E482 PolarHBondContact O-N 3.22Å; G479-Y483 WeakPolarHBondContact O-CB 3.23Å; G479-Y483 PolarHBondContact O-N 3.33Å
480	R	70	Confident	87.3	Confident	123 Å²	123	43.7 Å²	43.7	46%	0.464	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.8	-162	-58.1	-176.5	-171.9	-154.5	-0.1	115.1	E264 D313	E264-R480 IonicContact OE2-CZ 2.72Å; E264-R480 IonicContact OE2-NH1 3.57Å; E264-R480 PolarHBondContact OE2-NH1 2.88Å; E264-R480 IonicContact OE2-NH2 3.59Å; D313-R480 IonicContact OD1-CZ 3.48Å; D313-R480 IonicContact OD1-NH1 2.85Å; D313-R480 PolarHBondContact OD1-NH1 2.93Å
481	D	71	Confident	87.5	Confident	124 Å²	124	46.5 Å²	46.5	66%	0.663	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-25.7	-173.8	-62.4	-39.2	0	0	0	115.2	G479	G479-D481 VanDerWaalsContact C-N 3.31Å; G479-D481 PolarHBondContact O-N 3.09Å; G479-D481 VanDerWaalsContact O-N 3.11Å
482	E	78	Confident	87.8	Confident	67 Å²	67	46.6 Å²	46.6	31%	0.313	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-24.7	-171.6	-68.3	-168.2	148.7	0	0	113.3	R389 R393 G479 N484	R389-E482 IonicContact CZ-OE2 2.82Å; R389-E482 IonicContact NH1-OE2 2.7Å; R389-E482 PolarHBondContact NH1-OE2 2.9Å; R393-E482 IonicContact CZ-OE1 3.42Å; R393-E482 IonicContact NE-OE1 3.56Å; R393-E482 IonicContact NH2-OE1 2.66Å; R393-E482 PolarHBondContact NH2-OE1 2.69Å; G479-E482 PolarHBondContact O-N 3.22Å; E482-N484 PolarHBondContact O-N 3.48Å
483	Y	87.3	Confident	88.3	Confident	33 Å²	33	42.6 Å²	42.6	13%	0.129	22%	0.223	C	C	.	.			trans	-65.7	121.1	180	173.6	-115.4	0	0	0	110.1	C476 G479 P485 M518 E520 I521	C476-Y483 HydrophobicContact CB-CD2 4.32Å; C476-Y483 HydrophobicContact CB-CE2 4.36Å; C476-Y483 CarbonylContact O-C 3.6Å; C476-Y483 VanDerWaalsContact O-CA 3.26Å; C476-Y483 WeakPolarHBondContact O-CA 3.36Å; G479-Y483 WeakPolarHBondContact O-CB 3.23Å; G479-Y483 PolarHBondContact O-N 3.33Å; Y483-P485 HydrophobicContact CE1-CG 4.46Å; Y483-P485 HydrophobicContact CE2-CB 4.47Å; Y483-M518 HydrophobicContact CD2-CG 4.33Å; Y483-M518 HydrophobicContact CE2-CB 4.04Å; Y483-M518 HydrophobicContact CE2-CG 3.77Å; Y483-M518 HydrophobicContact CE2-SD 4.43Å; Y483-E520 WeakPolarHBondContact CE1-OE2 3.33Å; Y483-E520 PolarHBondContact OH-OE2 3.36Å; Y483-I521 HydrophobicContact CE2-CD1 4.27Å
484	N	88.2	Confident	88.6	Confident	54 Å²	54	42.3 Å²	42.3	29%	0.289	22%	0.221	S	C	.	.			trans	-135.3	108.2	172.1	-179	-18.3	0	0	0	107.9	C476 E482 D486 K487	C476-N484 VanDerWaalsContact CB-O 3.25Å; C476-N484 WeakPolarHBondContact CB-O 3.34Å; C476-N484 PolarHBondContact O-N 2.8Å; E482-N484 PolarHBondContact O-N 3.48Å; N484-D486 PolarHBondContact O-N 3Å; N484-D486 VanDerWaalsContact O-N 3.17Å; N484-D486 WeakPolarHBondContact OD1-CA 3.4Å; N484-D486 VanDerWaalsContact OD1-CB 3.26Å; N484-D486 WeakPolarHBondContact OD1-CB 3.3Å; N484-D486 PolarHBondContact OD1-N 3.3Å; N484-K487 HydrophobicContact CB-CB 4.47Å; N484-K487 HydrophobicContact CB-CD 4.16Å; N484-K487 HydrophobicContact CB-CG 4.13Å; N484-K487 PolarHBondContact O-N 3.5Å
485	P	90.8	Very high	88.8	Confident	18 Å²	18	42.3 Å²	42.3	12%	0.117	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-62.3	-22.1	-179.1	25.8	-34.5	0	0	0	113.1	Y483 K487 L488 E520	Y483-P485 HydrophobicContact CE1-CG 4.46Å; Y483-P485 HydrophobicContact CE2-CB 4.47Å; P485-K487 PolarHBondContact O-N 3.37Å; P485-L488 VanDerWaalsContact O-CB 3.23Å; P485-L488 WeakPolarHBondContact O-CB 3.45Å; P485-L488 PolarHBondContact O-N 3.09Å; P485-E520 HydrophobicContact CB-CB 4.33Å; P485-E520 HydrophobicContact CG-CB 4.34Å
486	D	91.7	Very high	89	Confident	114 Å²	114	40.3 Å²	40.3	61%	0.61	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-73.6	-12.7	176.4	-54.1	-29.7	0	0	0	113.1	N484 R524	N484-D486 PolarHBondContact O-N 3Å; N484-D486 VanDerWaalsContact O-N 3.17Å; N484-D486 WeakPolarHBondContact OD1-CA 3.4Å; N484-D486 VanDerWaalsContact OD1-CB 3.26Å; N484-D486 WeakPolarHBondContact OD1-CB 3.3Å; N484-D486 PolarHBondContact OD1-N 3.3Å; D486-R524 IonicContact OD1-CZ 3.44Å; D486-R524 VanDerWaalsContact OD1-CZ 3.24Å; D486-R524 IonicContact OD1-NH1 2.89Å; D486-R524 PolarHBondContact OD1-NH1 3.43Å; D486-R524 IonicContact OD1-NH2 2.69Å; D486-R524 PolarHBondContact OD1-NH2 3.33Å
487	K	92	Very high	89.1	Confident	139 Å²	139	40.7 Å²	40.7	60%	0.604	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-93	5	174.4	-67.6	-174.4	179.9	175.9	0	113.4	N484 P485 R489	N484-K487 HydrophobicContact CB-CB 4.47Å; N484-K487 HydrophobicContact CB-CD 4.16Å; N484-K487 HydrophobicContact CB-CG 4.13Å; N484-K487 PolarHBondContact O-N 3.5Å; P485-K487 PolarHBondContact O-N 3.37Å; K487-R489 PolarHBondContact O-N 3.08Å
488	L	94	Very high	89.1	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.201	C	C	.	.			trans	-57.6	129.7	-179.3	-176.9	62	0	0	0	110.9	P415 L474 C476 P485 Y490 I493 I521 H526	P415-L488 VanDerWaalsContact CB-O 3.3Å; P415-L488 WeakPolarHBondContact CB-O 3.45Å; P415-L488 WeakPolarHBondContact CG-O 3.49Å; L474-L488 HydrophobicContact CB-CD1 4.14Å; L474-L488 HydrophobicContact CD2-CD1 4.05Å; C476-L488 HydrophobicContact CB-CB 4.4Å; C476-L488 HydrophobicContact CB-CD1 4.42Å; P485-L488 VanDerWaalsContact O-CB 3.23Å; P485-L488 WeakPolarHBondContact O-CB 3.45Å; P485-L488 PolarHBondContact O-N 3.09Å; L488-Y490 WeakPolarHBondContact CD2-O 3.15Å; L488-Y490 VanDerWaalsContact CG-O 3.31Å; L488-Y490 WeakPolarHBondContact CG-O 3.46Å; L488-I493 HydrophobicContact CD1-CD1 4.29Å; L488-I493 HydrophobicContact CD2-CD1 4.42Å; L488-I521 HydrophobicContact CD1-CD1 3.8Å; L488-I521 HydrophobicContact CD2-CD1 4.11Å; L488-I521 HydrophobicContact CD2-CG1 4.21Å; L488-I521 HydrophobicContact CD2-CG2 4.06Å; L488-H526 HydrophobicContact CD2-CB 4.31Å
489	R	93.6	Very high	88.8	Confident	49 Å²	49	44.8 Å²	44.8	19%	0.185	23%	0.231	C	C	.	.	S	Bend	trans	-76.3	-24.6	-177.6	178.7	60.8	-170.1	-73.3	-4.5	113.6	D409 E412 P415 L474 K487	D409-R489 IonicContact OD1-CZ 3.31Å; D409-R489 IonicContact OD1-NH1 3.95Å; D409-R489 IonicContact OD1-NH2 2.93Å; D409-R489 PolarHBondContact OD1-NH2 3.42Å; D409-R489 IonicContact OD2-CZ 3.91Å; D409-R489 IonicContact OD2-NH1 3.31Å; D409-R489 PolarHBondContact OD2-NH1 2.98Å; D409-R489 IonicContact OD2-NH2 3.64Å; D409-R489 PolarHBondContact OD2-NH2 3.29Å; E412-R489 PolarHBondContact O-NH2 2.81Å; P415-R489 WeakPolarHBondContact CA-O 3.42Å; L474-R489 WeakPolarHBondContact O-CB 3.24Å; L474-R489 PolarHBondContact O-N 3.41Å; K487-R489 PolarHBondContact O-N 3.08Å
490	Y	96.3	Very high	89	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	24%	0.24	C	C	.	.			trans	-136.7	118.4	-174.7	-46.8	-85.3	0	0	0	110.1	D409 S418 L420 A442 A473 L488 S492	D409-Y490 PolarHBondContact OD1-OH 2.82Å; D409-Y490 VanDerWaalsContact OD1-OH 3.06Å; S418-Y490 WeakPolarHBondContact O-CA 3.28Å; L420-Y490 HydrophobicContact CB-CD1 3.97Å; L420-Y490 HydrophobicContact CB-CD2 3.62Å; L420-Y490 HydrophobicContact CB-CE1 4.4Å; L420-Y490 HydrophobicContact CB-CE2 4.03Å; L420-Y490 HydrophobicContact CB-CG 3.59Å; L420-Y490 HydrophobicContact CD1-CE2 4.16Å; L420-Y490 HydrophobicContact CD2-CD2 3.82Å; L420-Y490 HydrophobicContact CD2-CE2 3.92Å; L420-Y490 HydrophobicContact CG-CD2 4.21Å; L420-Y490 HydrophobicContact CG-CE2 4.26Å; A442-Y490 HydrophobicContact CB-CD1 4.49Å; A442-Y490 HydrophobicContact CB-CE1 3.61Å; A473-Y490 VanDerWaalsContact O-CE2 3.22Å; A473-Y490 WeakPolarHBondContact O-CE2 3.34Å; L488-Y490 WeakPolarHBondContact CD2-O 3.15Å; L488-Y490 VanDerWaalsContact CG-O 3.31Å; L488-Y490 WeakPolarHBondContact CG-O 3.46Å; Y490-S492 PolarHBondContact O-N 3.41Å
491	H	95.9	Very high	89.5	Confident	59 Å²	59	46.2 Å²	46.2	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-79.6	-6.4	175	-71.9	-173.7	0	0	0	112.9	P415 A416 S418 H526	P415-H491 VanDerWaalsContact O-CB 3.3Å; P415-H491 WeakPolarHBondContact O-CB 3.3Å; P415-H491 PolarHBondContact O-N 2.85Å; A416-H491 WeakPolarHBondContact CA-ND1 3.31Å; S418-H491 PolarHBondContact O-N 3.09Å; H491-H526 AromaticContact CG-CE1 3.75Å; H491-H526 WeakPolarHBondContact O-CA 3.31Å; H491-H526 VanDerWaalsContact O-CB 3.27Å; H491-H526 WeakPolarHBondContact O-CB 3.21Å; H491-H526 PolarHBondContact O-ND1 3.02Å
492	S	96.9	Very high	90.2	Very high	22 Å²	22	43.9 Å²	43.9	15%	0.154	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	98.1	172.3	-58.3	0	0	0	0	110.9	E419 L420 Y490	E419-S492 CarbonylContact C-O 3.55Å; E419-S492 VanDerWaalsContact CA-O 3.32Å; E419-S492 WeakPolarHBondContact CA-O 3.39Å; L420-S492 PolarHBondContact N-O 3.2Å; Y490-S492 PolarHBondContact O-N 3.41Å
493	I	97.8	Very high	90.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.2	174.8	-55.3	160.7	0	0	0	107.8	L420 L422 L474 L488 F514 I521 H526 V527 Y528	L420-I493 CarbonylContact O-C 3.56Å; L420-I493 WeakPolarHBondContact O-CA 3.42Å; L422-I493 HydrophobicContact CD1-CG2 3.94Å; L422-I493 HydrophobicContact CG-CG2 4.22Å; L474-I493 HydrophobicContact CD2-CD1 3.53Å; L474-I493 HydrophobicContact CD2-CG1 3.93Å; L488-I493 HydrophobicContact CD1-CD1 4.29Å; L488-I493 HydrophobicContact CD2-CD1 4.42Å; I493-F514 HydrophobicContact CD1-CE1 4.01Å; I493-F514 HydrophobicContact CD1-CZ 4.36Å; I493-F514 HydrophobicContact CG2-CE1 4.44Å; I493-F514 HydrophobicContact CG2-CE2 4.25Å; I493-F514 HydrophobicContact CG2-CZ 3.71Å; I493-I521 HydrophobicContact CD1-CG2 3.65Å; I493-H526 PolarHBondContact N-O 3.12Å; I493-V527 CarbonylContact O-C 3.58Å; I493-V527 WeakPolarHBondContact O-CA 3.44Å; I493-Y528 PolarHBondContact O-N 3.02Å
494	I	97.7	Very high	90.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.1	-169	-60.8	151.1	0	0	0	108.9	E419 L420 Y421 L422 M496 Y528 A530 M762	E419-I494 HydrophobicContact CB-CD1 4.18Å; L420-I494 PolarHBondContact O-N 2.91Å; Y421-I494 CarbonylContact C-O 3.49Å; Y421-I494 WeakPolarHBondContact CA-O 3.26Å; Y421-I494 HydrophobicContact CD1-CB 4.07Å; Y421-I494 HydrophobicContact CD1-CD1 4.47Å; Y421-I494 HydrophobicContact CD1-CG2 3.79Å; Y421-I494 HydrophobicContact CD2-CD1 4.13Å; Y421-I494 HydrophobicContact CE1-CB 4.16Å; Y421-I494 HydrophobicContact CE1-CD1 3.98Å; Y421-I494 HydrophobicContact CE1-CG2 3.7Å; Y421-I494 HydrophobicContact CE2-CD1 3.57Å; Y421-I494 HydrophobicContact CG-CB 4.36Å; Y421-I494 VanDerWaalsContact CZ-CD1 3.49Å; L422-I494 PolarHBondContact N-O 2.82Å; I494-M496 PolarHBondContact O-N 3.23Å; I494-Y528 WeakPolarHBondContact CA-O 3.25Å; I494-A530 HydrophobicContact CG2-CB 3.95Å; I494-M762 HydrophobicContact CB-CE 4.45Å; I494-M762 HydrophobicContact CD1-CE 3.5Å; I494-M762 HydrophobicContact CD1-SD 4.1Å; I494-M762 HydrophobicContact CG1-CE 3.78Å; I494-M762 HydrophobicContact CG1-SD 3.92Å; I494-M762 HydrophobicContact CG2-CE 3.83Å; I494-M762 HydrophobicContact CG2-SD 4.45Å
495	I	96.7	Very high	90.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.6	173.4	-58.5	173.6	0	0	0	108	L422 T497 R507 L510 L511 V527 Y528 I529 A530	L422-I495 HydrophobicContact CD1-CG1 4.43Å; I495-T497 HydrophobicContact CG2-CG2 3.83Å; I495-R507 HydrophobicContact CG2-CB 4.38Å; I495-R507 HydrophobicContact CG2-CG 4.25Å; I495-L510 HydrophobicContact CD1-CB 3.87Å; I495-L510 HydrophobicContact CD1-CD1 4.31Å; I495-L510 HydrophobicContact CG1-CD1 4.13Å; I495-L510 HydrophobicContact CG2-CD1 3.81Å; I495-L511 HydrophobicContact CD1-CD2 4.08Å; I495-L511 HydrophobicContact CD1-CG 4.4Å; I495-V527 HydrophobicContact CD1-CG1 4.08Å; I495-Y528 PolarHBondContact N-O 3.36Å; I495-I529 HydrophobicContact CB-CG1 4.5Å; I495-A530 PolarHBondContact O-N 2.89Å
496	M	94.3	Very high	90.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	89.7	-178.1	-168.5	171.9	74.6	0	0	109.5	Y421 L422 V423 E424 A432 I494 A530 L742 L750 T754 M755	Y421-M496 HydrophobicContact CD1-CB 4.32Å; Y421-M496 HydrophobicContact CD1-CE 4.23Å; Y421-M496 HydrophobicContact CD1-SD 3.89Å; Y421-M496 HydrophobicContact CE1-SD 4.18Å; L422-M496 PolarHBondContact O-N 2.72Å; V423-M496 WeakPolarHBondContact CA-O 3.19Å; V423-M496 HydrophobicContact CB-CE 4.44Å; V423-M496 HydrophobicContact CG1-CE 3.94Å; V423-M496 HydrophobicContact CG2-CE 3.64Å; E424-M496 PolarHBondContact N-O 3.39Å; A432-M496 HydrophobicContact CB-CE 3.69Å; I494-M496 PolarHBondContact O-N 3.23Å; M496-A530 HydrophobicContact CB-CB 4.02Å; M496-A530 HydrophobicContact CG-CB 3.89Å; M496-L742 HydrophobicContact CG-CD1 3.63Å; M496-L742 HydrophobicContact CG-CD2 4.3Å; M496-L750 HydrophobicContact CE-CD1 4.46Å; M496-L750 HydrophobicContact CE-CD2 4.14Å; M496-L750 HydrophobicContact SD-CD1 4.24Å; M496-T754 HydrophobicContact CG-CG2 4.39Å; M496-T754 HydrophobicContact SD-CG2 3.8Å; M496-M755 HydrophobicContact SD-CG 4.48Å
497	T	91	Very high	91	Very high	10 Å²	10	39.5 Å²	39.5	6%	0.061	21%	0.21	C	C	.	.			trans	-115.1	161.9	-178.7	59.5	0	0	0	0	110.5	E424 I495 G503 I506	E424-T497 HydrophobicContact CB-CG2 4.44Å; I495-T497 HydrophobicContact CG2-CG2 3.83Å; T497-G503 PolarHBondContact OG1-O 3.41Å; T497-I506 HydrophobicContact CG2-CB 4.21Å; T497-I506 HydrophobicContact CG2-CG2 3.91Å
498	D	85.7	Confident	91.1	Very high	31 Å²	31	35.2 Å²	35.2	17%	0.166	20%	0.196	C	C	.	.			trans	-67.3	156.6	176.8	-74.8	-6.7	0	0	0	111.5	E424 D500 L742	E424-D498 PolarHBondContact OE2-N 3.47Å; D498-D500 PolarHBondContact O-N 3.47Å; D498-D500 VanDerWaalsContact O-N 3.12Å; D498-L742 WeakPolarHBondContact OD1-CB 3.47Å; D498-L742 WeakPolarHBondContact OD1-CD1 3.43Å; D498-L742 WeakPolarHBondContact OD1-CG 3.48Å; D498-L742 PolarHBondContact OD1-N 3.01Å
499	A	78.3	Confident	91.2	Very high	79 Å²	79	35.3 Å²	35.3	65%	0.653	20%	0.196	S	C	*	.	S	Bend	trans	-84.5	38.4	179.3	0	0	0	0	0	111.8
500	D	81.1	Confident	91.3	Very high	64 Å²	64	33 Å²	33	34%	0.342	19%	0.187	S	C	.	.	S	Bend	trans	-120.2	-172.4	179.8	72.1	8.6	0	0	0	111.8	D498 D502 G503 S504	D498-D500 PolarHBondContact O-N 3.47Å; D498-D500 VanDerWaalsContact O-N 3.12Å; D500-D502 PolarHBondContact OD1-N 3.21Å; D500-D502 VanDerWaalsContact OD1-N 3.11Å; D500-G503 PolarHBondContact OD1-N 3.19Å; D500-S504 VanDerWaalsContact O-CB 3.3Å; D500-S504 WeakPolarHBondContact O-CB 3.49Å; D500-S504 PolarHBondContact O-N 2.84Å; D500-S504 VanDerWaalsContact O-N 3.09Å; D500-S504 PolarHBondContact O-OG 3.3Å
501	V	81.2	Confident	91.3	Very high	103 Å²	103	34.6 Å²	34.6	62%	0.624	20%	0.196	S	C	*	.	H	α-helix	trans	-68.2	-38.8	-178.2	-179.6	0	0	0	0	111.8	H505	V501-H505 PolarHBondContact O-N 3.42Å; V501-H505 VanDerWaalsContact O-N 3.08Å
502	D	86.1	Confident	91.2	Very high	75 Å²	75	31.8 Å²	31.8	40%	0.401	18%	0.183	S	C	.	.	H	α-helix	trans	-73.8	-42.3	-177.8	-81.1	-49.2	0	0	0	111.4	K449 D500 S504 H505 I506	K449-D502 WeakPolarHBondContact CE-OD1 3.11Å; K449-D502 IonicContact NZ-OD1 3.85Å; K449-D502 PolarHBondContact NZ-OD1 3.26Å; D500-D502 PolarHBondContact OD1-N 3.21Å; D500-D502 VanDerWaalsContact OD1-N 3.11Å; D502-S504 VanDerWaalsContact C-N 3.35Å; D502-S504 PolarHBondContact O-N 3.07Å; D502-H505 WeakPolarHBondContact O-CB 3.38Å; D502-H505 PolarHBondContact O-N 3.36Å; D502-H505 VanDerWaalsContact O-N 3.11Å; D502-I506 WeakPolarHBondContact O-CG1 3.35Å; D502-I506 PolarHBondContact O-N 2.92Å
503	G	88.2	Confident	91	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-40.9	173.3	0	0	0	0	0	112.4	E424 T497 D500 H505 I506 R507	E424-G503 WeakPolarHBondContact OE2-CA 3.41Å; T497-G503 PolarHBondContact OG1-O 3.41Å; D500-G503 PolarHBondContact OD1-N 3.19Å; G503-H505 VanDerWaalsContact C-N 3.28Å; G503-H505 PolarHBondContact O-N 3.33Å; G503-I506 PolarHBondContact O-N 2.86Å; G503-R507 WeakPolarHBondContact O-CB 3.19Å; G503-R507 PolarHBondContact O-N 2.82Å
504	S	88.2	Confident	90.9	Very high	39 Å²	39	30.9 Å²	30.9	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-61.7	-35.5	173	-66.3	0	0	0	0	112.7	D500 D502 R507 T508	D500-S504 VanDerWaalsContact O-CB 3.3Å; D500-S504 WeakPolarHBondContact O-CB 3.49Å; D500-S504 PolarHBondContact O-N 2.84Å; D500-S504 VanDerWaalsContact O-N 3.09Å; D500-S504 PolarHBondContact O-OG 3.3Å; D502-S504 VanDerWaalsContact C-N 3.35Å; D502-S504 PolarHBondContact O-N 3.07Å; S504-R507 PolarHBondContact OG-NH2 3.32Å; S504-T508 PolarHBondContact O-N 3.21Å; S504-T508 VanDerWaalsContact O-N 3.08Å; S504-T508 PolarHBondContact O-OG1 3.28Å
505	H	90.7	Very high	90.6	Very high	80 Å²	80	32.2 Å²	32.2	37%	0.37	18%	0.182	S	C	.	.	H	α-helix	trans	-69.7	-47.3	175.5	-170.8	172.3	0	0	0	111.5	K449 V501 D502 G503 R507 T508 L509	K449-H505 WeakPolarHBondContact CE-ND1 3.34Å; V501-H505 PolarHBondContact O-N 3.42Å; V501-H505 VanDerWaalsContact O-N 3.08Å; D502-H505 WeakPolarHBondContact O-CB 3.38Å; D502-H505 PolarHBondContact O-N 3.36Å; D502-H505 VanDerWaalsContact O-N 3.11Å; G503-H505 VanDerWaalsContact C-N 3.28Å; G503-H505 PolarHBondContact O-N 3.33Å; H505-R507 VanDerWaalsContact C-N 3.31Å; H505-R507 PolarHBondContact O-N 3.27Å; H505-T508 WeakPolarHBondContact O-CB 3.45Å; H505-T508 PolarHBondContact O-N 3.42Å; H505-T508 VanDerWaalsContact O-N 3.16Å; H505-L509 WeakPolarHBondContact O-CG 3.4Å; H505-L509 PolarHBondContact O-N 2.86Å
506	I	92.5	Very high	90.2	Very high	4 Å²	4	33 Å²	33	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-59.1	-44.5	176.6	-68.4	174.8	0	0	0	110.7	E424 L446 K449 T497 D502 G503 T508 L509 L510	E424-I506 HydrophobicContact CB-CD1 4.34Å; E424-I506 HydrophobicContact CG-CD1 3.66Å; E424-I506 WeakPolarHBondContact OE1-CD1 3.25Å; L446-I506 HydrophobicContact CD1-CG2 4.44Å; K449-I506 HydrophobicContact CG-CG1 4.36Å; T497-I506 HydrophobicContact CG2-CB 4.21Å; T497-I506 HydrophobicContact CG2-CG2 3.91Å; D502-I506 WeakPolarHBondContact O-CG1 3.35Å; D502-I506 PolarHBondContact O-N 2.92Å; G503-I506 PolarHBondContact O-N 2.86Å; I506-T508 VanDerWaalsContact C-N 3.34Å; I506-T508 PolarHBondContact O-N 3.24Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-L510 HydrophobicContact CG2-CD1 4Å; I506-L510 HydrophobicContact CG2-CG 4.44Å; I506-L510 WeakPolarHBondContact O-CG 3.27Å; I506-L510 PolarHBondContact O-N 2.98Å
507	R	93.8	Very high	90	Very high	72 Å²	72	34.9 Å²	34.9	27%	0.272	19%	0.193	S	C	.	.	H	α-helix	trans	-55.9	-48	174.8	-177.6	174	66.8	-147.9	-4.7	111.5	I495 G503 S504 H505 L509 L510 L511 I529	I495-R507 HydrophobicContact CG2-CB 4.38Å; I495-R507 HydrophobicContact CG2-CG 4.25Å; G503-R507 WeakPolarHBondContact O-CB 3.19Å; G503-R507 PolarHBondContact O-N 2.82Å; S504-R507 PolarHBondContact OG-NH2 3.32Å; H505-R507 VanDerWaalsContact C-N 3.31Å; H505-R507 PolarHBondContact O-N 3.27Å; R507-L509 VanDerWaalsContact C-N 3.32Å; R507-L509 PolarHBondContact O-N 3.02Å; R507-L510 PolarHBondContact O-N 3.45Å; R507-L511 HydrophobicContact CG-CD1 4.04Å; R507-L511 HydrophobicContact CG-CG 4.43Å; R507-L511 WeakPolarHBondContact O-CB 3.42Å; R507-L511 VanDerWaalsContact O-CG 3.26Å; R507-L511 WeakPolarHBondContact O-CG 3.47Å; R507-L511 PolarHBondContact O-N 3.04Å; R507-I529 HydrophobicContact CG-CD1 4.5Å
508	T	93.9	Very high	90	Very high	48 Å²	48	34.4 Å²	34.4	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-59.3	-42.1	177.8	-56.4	0	0	0	0	112.2	S504 H505 I506 L511 T512 M781	S504-T508 PolarHBondContact O-N 3.21Å; S504-T508 VanDerWaalsContact O-N 3.08Å; S504-T508 PolarHBondContact O-OG1 3.28Å; H505-T508 WeakPolarHBondContact O-CB 3.45Å; H505-T508 PolarHBondContact O-N 3.42Å; H505-T508 VanDerWaalsContact O-N 3.16Å; I506-T508 VanDerWaalsContact C-N 3.34Å; I506-T508 PolarHBondContact O-N 3.24Å; T508-L511 PolarHBondContact O-N 3.09Å; T508-T512 PolarHBondContact O-N 3.3Å; T508-T512 PolarHBondContact O-OG1 3.1Å; T508-M781 HydrophobicContact CG2-CE 4.12Å; T508-M781 HydrophobicContact CG2-CG 4.46Å; T508-M781 HydrophobicContact CG2-SD 3.61Å
509	L	95.1	Very high	90.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-67.4	-39.6	178.7	-68.2	160.1	0	0	0	112.5	K449 I450 N452 H505 I506 R507 T512 F513 M781	K449-L509 HydrophobicContact CB-CD1 4.12Å; I450-L509 HydrophobicContact CG2-CB 3.26Å; I450-L509 HydrophobicContact CG2-CD1 4.04Å; I450-L509 HydrophobicContact CG2-CG 4.2Å; I450-L509 WeakPolarHBondContact O-CD1 3.48Å; N452-L509 HydrophobicContact CB-CD2 3.61Å; H505-L509 WeakPolarHBondContact O-CG 3.4Å; H505-L509 PolarHBondContact O-N 2.86Å; I506-L509 PolarHBondContact O-N 2.9Å; R507-L509 VanDerWaalsContact C-N 3.32Å; R507-L509 PolarHBondContact O-N 3.02Å; L509-T512 WeakPolarHBondContact O-CB 3.38Å; L509-T512 PolarHBondContact O-N 3.43Å; L509-F513 PolarHBondContact O-N 3.27Å; L509-M781 HydrophobicContact CD2-CE 3.41Å; L509-M781 VanDerWaalsContact CD2-CE 3.41Å; L509-M781 HydrophobicContact CG-CE 4.05Å
510	L	95.7	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.5	-43	175.3	-74	171.5	0	0	0	112.1	L422 L446 I450 L470 I495 I506 R507 T512 F513 F514	L422-L510 HydrophobicContact CB-CD1 4.39Å; L422-L510 HydrophobicContact CD1-CD1 4.19Å; L422-L510 HydrophobicContact CD1-CD2 4.07Å; L446-L510 HydrophobicContact CD1-CD1 3.83Å; L446-L510 HydrophobicContact CD1-CD2 3.98Å; L446-L510 HydrophobicContact CD1-CG 4.32Å; I450-L510 HydrophobicContact CD1-CD2 3.82Å; L470-L510 HydrophobicContact CD2-CD2 4.18Å; I495-L510 HydrophobicContact CD1-CB 3.87Å; I495-L510 HydrophobicContact CD1-CD1 4.31Å; I495-L510 HydrophobicContact CG1-CD1 4.13Å; I495-L510 HydrophobicContact CG2-CD1 3.81Å; I506-L510 HydrophobicContact CG2-CD1 4Å; I506-L510 HydrophobicContact CG2-CG 4.44Å; I506-L510 WeakPolarHBondContact O-CG 3.27Å; I506-L510 PolarHBondContact O-N 2.98Å; R507-L510 PolarHBondContact O-N 3.45Å; L510-T512 VanDerWaalsContact C-N 3.29Å; L510-T512 PolarHBondContact O-N 3.38Å; L510-F513 WeakPolarHBondContact O-CB 3.22Å; L510-F513 PolarHBondContact O-N 2.72Å; L510-F513 VanDerWaalsContact O-N 3.12Å; L510-F514 WeakPolarHBondContact O-CD2 3.49Å; L510-F514 PolarHBondContact O-N 3.17Å
511	L	95.7	Very high	91.3	Very high	36 Å²	36	31.3 Å²	31.3	19%	0.188	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-41.9	175.3	-69	174	0	0	0	111	I495 R507 T508 F513 F514 Y515 I529 V765 F777	I495-L511 HydrophobicContact CD1-CD2 4.08Å; I495-L511 HydrophobicContact CD1-CG 4.4Å; R507-L511 HydrophobicContact CG-CD1 4.04Å; R507-L511 HydrophobicContact CG-CG 4.43Å; R507-L511 WeakPolarHBondContact O-CB 3.42Å; R507-L511 VanDerWaalsContact O-CG 3.26Å; R507-L511 WeakPolarHBondContact O-CG 3.47Å; R507-L511 PolarHBondContact O-N 3.04Å; T508-L511 PolarHBondContact O-N 3.09Å; L511-F513 VanDerWaalsContact C-N 3.33Å; L511-F513 PolarHBondContact O-N 3.08Å; L511-F514 PolarHBondContact O-N 3.19Å; L511-Y515 WeakPolarHBondContact O-CB 3.4Å; L511-Y515 PolarHBondContact O-N 3.48Å; L511-I529 HydrophobicContact CD1-CD1 4.48Å; L511-V765 HydrophobicContact CD2-CB 4.44Å; L511-V765 HydrophobicContact CD2-CG1 3.86Å; L511-V765 HydrophobicContact CD2-CG2 3.75Å; L511-F777 HydrophobicContact CB-CE1 4.32Å; L511-F777 HydrophobicContact CB-CZ 4.22Å
512	T	94	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-44.4	172.5	-50.5	0	0	0	0	111.3	V453 E454 T508 L509 L510 R516 F777 M781	V453-T512 HydrophobicContact CG2-CG2 4.16Å; E454-T512 HydrophobicContact CB-CG2 4.16Å; T508-T512 PolarHBondContact O-N 3.3Å; T508-T512 PolarHBondContact O-OG1 3.1Å; L509-T512 WeakPolarHBondContact O-CB 3.38Å; L509-T512 PolarHBondContact O-N 3.43Å; L510-T512 VanDerWaalsContact C-N 3.29Å; L510-T512 PolarHBondContact O-N 3.38Å; T512-R516 HydrophobicContact CG2-CG 4.07Å; T512-R516 VanDerWaalsContact O-CB 3.22Å; T512-R516 WeakPolarHBondContact O-CB 3.4Å; T512-R516 WeakPolarHBondContact O-CG 3.15Å; T512-R516 PolarHBondContact O-N 3.44Å; T512-F777 HydrophobicContact CG2-CD1 4.1Å; T512-F777 WeakPolarHBondContact OG1-CD1 3.5Å; T512-F777 WeakPolarHBondContact OG1-CE1 3.22Å; T512-M781 HydrophobicContact CG2-CB 4.22Å; T512-M781 HydrophobicContact CG2-CG 4.26Å; T512-M781 WeakPolarHBondContact OG1-CG 3.42Å
513	F	94.1	Very high	92	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-53.1	177.1	172.2	-96.3	0	0	0	112.4	V453 M461 V467 L470 I471 L474 I478 L509 L510 L511 R516 Q517 M518	V453-F513 HydrophobicContact CG1-CD2 3.94Å; V453-F513 HydrophobicContact CG2-CB 4.33Å; M461-F513 HydrophobicContact SD-CE2 4.35Å; V467-F513 HydrophobicContact CG1-CD2 4.37Å; V467-F513 HydrophobicContact CG1-CE2 3.74Å; V467-F513 HydrophobicContact CG1-CZ 4.48Å; L470-F513 HydrophobicContact CD2-CD1 3.7Å; L470-F513 HydrophobicContact CD2-CE1 3.52Å; L470-F513 HydrophobicContact CD2-CG 4.4Å; L470-F513 HydrophobicContact CD2-CZ 4.08Å; L470-F513 HydrophobicContact CG-CE1 4.14Å; I471-F513 HydrophobicContact CG1-CZ 4.11Å; L474-F513 HydrophobicContact CD1-CE1 4.34Å; I478-F513 HydrophobicContact CD1-CE2 3.94Å; I478-F513 HydrophobicContact CD1-CZ 4.15Å; L509-F513 PolarHBondContact O-N 3.27Å; L510-F513 WeakPolarHBondContact O-CB 3.22Å; L510-F513 PolarHBondContact O-N 2.72Å; L510-F513 VanDerWaalsContact O-N 3.12Å; L511-F513 VanDerWaalsContact C-N 3.33Å; L511-F513 PolarHBondContact O-N 3.08Å; F513-R516 PolarHBondContact O-N 3.3Å; F513-Q517 HydrophobicContact CD2-CB 4.45Å; F513-Q517 HydrophobicContact CD2-CG 4.12Å; F513-Q517 HydrophobicContact CE2-CB 4.24Å; F513-Q517 HydrophobicContact CE2-CG 4.16Å; F513-Q517 WeakPolarHBondContact O-CB 3.49Å; F513-Q517 PolarHBondContact O-N 3.45Å; F513-M518 HydrophobicContact CE1-CE 4.17Å; F513-M518 HydrophobicContact CE1-SD 4.05Å; F513-M518 HydrophobicContact CZ-CE 3.87Å; F513-M518 HydrophobicContact CZ-SD 4.33Å
514	F	94.6	Very high	92.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-46.3	-179.8	-73.4	-65	0	0	0	111.7	L422 L474 I493 L510 L511 R516 M518 V522 V527	L422-F514 HydrophobicContact CD1-CE2 3.99Å; L422-F514 HydrophobicContact CD1-CZ 4.03Å; L474-F514 HydrophobicContact CD1-CE1 3.9Å; L474-F514 HydrophobicContact CD1-CZ 4.43Å; I493-F514 HydrophobicContact CD1-CE1 4.01Å; I493-F514 HydrophobicContact CD1-CZ 4.36Å; I493-F514 HydrophobicContact CG2-CE1 4.44Å; I493-F514 HydrophobicContact CG2-CE2 4.25Å; I493-F514 HydrophobicContact CG2-CZ 3.71Å; L510-F514 WeakPolarHBondContact O-CD2 3.49Å; L510-F514 PolarHBondContact O-N 3.17Å; L511-F514 PolarHBondContact O-N 3.19Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.05Å; F514-M518 HydrophobicContact CD1-SD 4.48Å; F514-M518 CarbonylContact O-C 3.54Å; F514-M518 WeakPolarHBondContact O-CA 3.23Å; F514-M518 PolarHBondContact O-N 3.49Å; F514-M518 VanDerWaalsContact O-O 3.14Å; F514-V522 HydrophobicContact CB-CG2 3.74Å; F514-V527 HydrophobicContact CB-CG2 4.38Å; F514-V527 HydrophobicContact CD1-CG2 4.14Å; F514-V527 HydrophobicContact CD2-CG1 4.15Å; F514-V527 HydrophobicContact CD2-CG2 4.27Å; F514-V527 HydrophobicContact CE2-CG1 4.45Å; F514-V527 HydrophobicContact CG-CG2 4.01Å
515	Y	92	Very high	92.4	Very high	29 Å²	29	32.3 Å²	32.3	11%	0.114	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-41.1	179	-177.9	-107.6	0	0	0	112.6	L511 V767 A770 A773 D774 F777	L511-Y515 WeakPolarHBondContact O-CB 3.4Å; L511-Y515 PolarHBondContact O-N 3.48Å; Y515-V767 HydrophobicContact CD2-CG2 3.86Å; Y515-V767 HydrophobicContact CE2-CG1 4.03Å; Y515-V767 HydrophobicContact CE2-CG2 3.85Å; Y515-A770 PolarHBondContact OH-O 3.27Å; Y515-A773 HydrophobicContact CE2-CB 4.05Å; Y515-D774 PolarHBondContact OH-N 2.93Å; Y515-F777 AromaticContact CD1-CD2 3.27Å; Y515-F777 HydrophobicContact CD1-CD2 3.27Å; Y515-F777 AromaticContact CD1-CE2 3.55Å; Y515-F777 HydrophobicContact CD1-CE2 3.55Å; Y515-F777 AromaticContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CZ 4.42Å; Y515-F777 HydrophobicContact CD2-CD2 4.47Å; Y515-F777 HydrophobicContact CD2-CE2 4.04Å; Y515-F777 AromaticContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CE2 4.1Å; Y515-F777 HydrophobicContact CE1-CG 4.37Å; Y515-F777 AromaticContact CG-CD2 3.78Å; Y515-F777 HydrophobicContact CG-CD2 3.78Å; Y515-F777 AromaticContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CZ 4.22Å
516	R	88.4	Confident	92.7	Very high	15 Å²	15	29.7 Å²	29.7	6%	0.057	14%	0.139	C	C	.	.	H	α-helix	trans	-85.4	-33.5	-174	-65.6	-63.7	-169.8	-166.1	8.6	114.6	Q263 V453 E454 T512 F513 F514 D774 T778	Q263-R516 PolarHBondContact NE2-O 3.16Å; V453-R516 HydrophobicContact CG2-CB 4.3Å; E454-R516 IonicContact OE1-CZ 2.73Å; E454-R516 IonicContact OE1-NE 3.72Å; E454-R516 PolarHBondContact OE1-NE 3.3Å; E454-R516 IonicContact OE1-NH2 3.35Å; E454-R516 PolarHBondContact OE1-NH2 2.83Å; E454-R516 WeakPolarHBondContact OE2-CD 3.26Å; E454-R516 WeakPolarHBondContact OE2-CG 3.14Å; E454-R516 IonicContact OE2-CZ 3.58Å; E454-R516 IonicContact OE2-NE 3.68Å; E454-R516 PolarHBondContact OE2-NE 2.84Å; E454-R516 IonicContact OE2-NH2 3.98Å; T512-R516 HydrophobicContact CG2-CG 4.07Å; T512-R516 VanDerWaalsContact O-CB 3.22Å; T512-R516 WeakPolarHBondContact O-CB 3.4Å; T512-R516 WeakPolarHBondContact O-CG 3.15Å; T512-R516 PolarHBondContact O-N 3.44Å; F513-R516 PolarHBondContact O-N 3.3Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.05Å; R516-D774 IonicContact CZ-OD1 2.65Å; R516-D774 VanDerWaalsContact CZ-OD1 3.24Å; R516-D774 IonicContact NH1-OD1 3.14Å; R516-D774 PolarHBondContact NH1-OD1 3.34Å; R516-D774 PolarHBondContact NH2-O 3.03Å; R516-D774 IonicContact NH2-OD1 2.68Å; R516-D774 PolarHBondContact NH2-OD1 3.12Å; R516-T778 PolarHBondContact NH2-OG1 3.37Å; R516-T778 VanDerWaalsContact NH2-OG1 3.1Å
517	Q	89.3	Confident	92.9	Very high	42 Å²	42	29.5 Å²	29.5	20%	0.196	14%	0.138	C	C	.	.	H	α-helix	trans	-110.4	-20.9	-171	-56.9	-60.1	-43.9	0	0	113.3	V453 M461 I478 F513	V453-Q517 HydrophobicContact CG2-CG 4.46Å; M461-Q517 HydrophobicContact CE-CG 4.41Å; M461-Q517 HydrophobicContact SD-CG 3.78Å; I478-Q517 HydrophobicContact CD1-CB 3.96Å; I478-Q517 HydrophobicContact CD1-CG 4.2Å; I478-Q517 HydrophobicContact CG1-CB 4.32Å; F513-Q517 HydrophobicContact CD2-CB 4.45Å; F513-Q517 HydrophobicContact CD2-CG 4.12Å; F513-Q517 HydrophobicContact CE2-CB 4.24Å; F513-Q517 HydrophobicContact CE2-CG 4.16Å; F513-Q517 WeakPolarHBondContact O-CB 3.49Å; F513-Q517 PolarHBondContact O-N 3.45Å
518	M	90.8	Very high	93.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.134	C	C	.	.			trans	-145.6	52	-174.9	-56.9	179.4	178.2	0	0	111.8	I471 L474 G477 I478 Y483 F513 F514 E520 I521	I471-M518 HydrophobicContact CG1-CE 4.41Å; L474-M518 HydrophobicContact CD1-CE 3.97Å; L474-M518 HydrophobicContact CD1-SD 3.64Å; G477-M518 WeakPolarHBondContact O-CE 3.3Å; I478-M518 HydrophobicContact CB-CE 4.34Å; I478-M518 HydrophobicContact CD1-CE 4.35Å; I478-M518 HydrophobicContact CG1-CE 4.31Å; Y483-M518 HydrophobicContact CD2-CG 4.33Å; Y483-M518 HydrophobicContact CE2-CB 4.04Å; Y483-M518 HydrophobicContact CE2-CG 3.77Å; Y483-M518 HydrophobicContact CE2-SD 4.43Å; F513-M518 HydrophobicContact CE1-CE 4.17Å; F513-M518 HydrophobicContact CE1-SD 4.05Å; F513-M518 HydrophobicContact CZ-CE 3.87Å; F513-M518 HydrophobicContact CZ-SD 4.33Å; F514-M518 HydrophobicContact CD1-SD 4.48Å; F514-M518 CarbonylContact O-C 3.54Å; F514-M518 WeakPolarHBondContact O-CA 3.23Å; F514-M518 PolarHBondContact O-N 3.49Å; F514-M518 VanDerWaalsContact O-O 3.14Å; M518-E520 PolarHBondContact O-N 3.13Å; M518-I521 HydrophobicContact CB-CB 4.35Å; M518-I521 HydrophobicContact CB-CD1 3.8Å; M518-I521 HydrophobicContact CB-CG1 4.08Å; M518-I521 HydrophobicContact CG-CD1 4.2Å; M518-I521 WeakPolarHBondContact O-CB 3.31Å; M518-I521 PolarHBondContact O-N 3.38Å; M518-I521 VanDerWaalsContact O-N 3.09Å; M518-I521 HydrophobicContact SD-CD1 3.71Å
519	P	89.4	Confident	93.2	Very high	42 Å²	42	27.1 Å²	27.1	27%	0.273	13%	0.125	S	C	.	.	H	α-helix	trans	-57.8	-36.1	-173.5	23	-32.5	0	0	0	112.7	I521 V522 E523	P519-I521 PolarHBondContact O-N 3.13Å; P519-V522 CarbonylContact O-C 3.55Å; P519-V522 WeakPolarHBondContact O-CA 3.45Å; P519-V522 WeakPolarHBondContact O-CB 3.21Å; P519-V522 PolarHBondContact O-N 3.4Å; P519-E523 WeakPolarHBondContact O-CG 3.46Å; P519-E523 PolarHBondContact O-N 2.96Å
520	E	89.5	Confident	93.1	Very high	66 Å²	66	27.2 Å²	27.2	31%	0.308	13%	0.126	S	C	.	.	H	α-helix	trans	-64.1	-27.1	-179	-55.7	91.6	144.1	0	0	112.4	Y483 P485 M518 V522 E523 R524	Y483-E520 WeakPolarHBondContact CE1-OE2 3.33Å; Y483-E520 PolarHBondContact OH-OE2 3.36Å; P485-E520 HydrophobicContact CB-CB 4.33Å; P485-E520 HydrophobicContact CG-CB 4.34Å; M518-E520 PolarHBondContact O-N 3.13Å; E520-V522 VanDerWaalsContact C-N 3.32Å; E520-E523 PolarHBondContact O-N 3.03Å; E520-R524 VanDerWaalsContact O-CB 3.29Å; E520-R524 WeakPolarHBondContact O-CB 3.45Å; E520-R524 WeakPolarHBondContact O-CD 3.41Å; E520-R524 WeakPolarHBondContact O-CG 3.46Å; E520-R524 PolarHBondContact O-N 2.82Å
521	I	93.9	Very high	92.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.1	-37.2	173.5	-62.9	-175.9	0	0	0	110.2	Y483 L488 I493 M518 P519 G525 H526 V527	Y483-I521 HydrophobicContact CE2-CD1 4.27Å; L488-I521 HydrophobicContact CD1-CD1 3.8Å; L488-I521 HydrophobicContact CD2-CD1 4.11Å; L488-I521 HydrophobicContact CD2-CG1 4.21Å; L488-I521 HydrophobicContact CD2-CG2 4.06Å; I493-I521 HydrophobicContact CD1-CG2 3.65Å; M518-I521 HydrophobicContact CB-CB 4.35Å; M518-I521 HydrophobicContact CB-CD1 3.8Å; M518-I521 HydrophobicContact CB-CG1 4.08Å; M518-I521 HydrophobicContact CG-CD1 4.2Å; M518-I521 WeakPolarHBondContact O-CB 3.31Å; M518-I521 PolarHBondContact O-N 3.38Å; M518-I521 VanDerWaalsContact O-N 3.09Å; M518-I521 HydrophobicContact SD-CD1 3.71Å; P519-I521 PolarHBondContact O-N 3.13Å; I521-G525 PolarHBondContact O-N 3.3Å; I521-H526 HydrophobicContact CG2-CB 3.78Å; I521-H526 PolarHBondContact O-N 3.38Å; I521-V527 HydrophobicContact CG2-CG2 3.9Å
522	V	93.1	Very high	92.4	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-71.5	-41.6	175	-173.4	0	0	0	0	110.5	F514 P519 E520 G525 V527 V765 V767	F514-V522 HydrophobicContact CB-CG2 3.74Å; P519-V522 CarbonylContact O-C 3.55Å; P519-V522 WeakPolarHBondContact O-CA 3.45Å; P519-V522 WeakPolarHBondContact O-CB 3.21Å; P519-V522 PolarHBondContact O-N 3.4Å; E520-V522 VanDerWaalsContact C-N 3.32Å; V522-G525 WeakPolarHBondContact O-CA 3.35Å; V522-G525 PolarHBondContact O-N 2.84Å; V522-V527 HydrophobicContact CG2-CG2 4.07Å; V522-V765 HydrophobicContact CG1-CB 4.37Å; V522-V765 HydrophobicContact CG1-CG1 3.79Å; V522-V767 HydrophobicContact CG1-CG2 3.97Å
523	E	88.5	Confident	92	Very high	135 Å²	135	29.8 Å²	29.8	63%	0.631	14%	0.141	S	C	*	.	H	α-helix	trans	-65.8	-40.3	178.4	-68.2	170.1	175.6	0	0	112.5	P519 E520 G525	P519-E523 WeakPolarHBondContact O-CG 3.46Å; P519-E523 PolarHBondContact O-N 2.96Å; E520-E523 PolarHBondContact O-N 3.03Å; E523-G525 PolarHBondContact O-N 2.86Å; E523-G525 VanDerWaalsContact O-N 3.16Å
524	R	92.2	Very high	91.6	Very high	97 Å²	97	31.5 Å²	31.5	37%	0.366	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.3	168.9	-67.3	170.9	-175.1	-152.7	-2.2	112.1	D486 E520 H526 R764	D486-R524 IonicContact OD1-CZ 3.44Å; D486-R524 VanDerWaalsContact OD1-CZ 3.24Å; D486-R524 IonicContact OD1-NH1 2.89Å; D486-R524 PolarHBondContact OD1-NH1 3.43Å; D486-R524 IonicContact OD1-NH2 2.69Å; D486-R524 PolarHBondContact OD1-NH2 3.33Å; E520-R524 VanDerWaalsContact O-CB 3.29Å; E520-R524 WeakPolarHBondContact O-CB 3.45Å; E520-R524 WeakPolarHBondContact O-CD 3.41Å; E520-R524 WeakPolarHBondContact O-CG 3.46Å; E520-R524 PolarHBondContact O-N 2.82Å; R524-H526 VanDerWaalsContact CB-CD2 3.47Å; R524-H526 WeakPolarHBondContact CB-CD2 3.18Å; R524-H526 WeakPolarHBondContact CB-NE2 3.32Å; R524-R764 PolarHBondContact O-NH2 3.3Å
525	G	93.4	Very high	91.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	40.4	176.2	0	0	0	0	0	113	I521 V522 E523 Y528 R764	I521-G525 PolarHBondContact O-N 3.3Å; V522-G525 WeakPolarHBondContact O-CA 3.35Å; V522-G525 PolarHBondContact O-N 2.84Å; E523-G525 PolarHBondContact O-N 2.86Å; E523-G525 VanDerWaalsContact O-N 3.16Å; G525-Y528 VanDerWaalsContact O-CZ 3.28Å; G525-Y528 PolarHBondContact O-OH 3.11Å; G525-Y528 VanDerWaalsContact O-OH 3.09Å; G525-R764 PolarHBondContact O-NE 3.06Å
526	H	96.5	Very high	91.1	Very high	26 Å²	26	32.5 Å²	32.5	12%	0.12	15%	0.154	C	C	.	.			trans	-86.9	-6.3	176.3	-64.9	-42.5	0	0	0	113.2	L488 H491 I493 I521 R524 Y528	L488-H526 HydrophobicContact CD2-CB 4.31Å; H491-H526 AromaticContact CG-CE1 3.75Å; H491-H526 WeakPolarHBondContact O-CA 3.31Å; H491-H526 VanDerWaalsContact O-CB 3.27Å; H491-H526 WeakPolarHBondContact O-CB 3.21Å; H491-H526 PolarHBondContact O-ND1 3.02Å; I493-H526 PolarHBondContact N-O 3.12Å; I521-H526 HydrophobicContact CG2-CB 3.78Å; I521-H526 PolarHBondContact O-N 3.38Å; R524-H526 VanDerWaalsContact CB-CD2 3.47Å; R524-H526 WeakPolarHBondContact CB-CD2 3.18Å; R524-H526 WeakPolarHBondContact CB-NE2 3.32Å; H526-Y528 VanDerWaalsContact O-CD2 3.31Å; H526-Y528 WeakPolarHBondContact O-CD2 3.12Å; H526-Y528 WeakPolarHBondContact O-CE2 3.43Å
527	V	97.4	Very high	91.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.4	178.9	-172.7	0	0	0	0	110.3	I493 I495 F514 I521 V522 V765	I493-V527 CarbonylContact O-C 3.58Å; I493-V527 WeakPolarHBondContact O-CA 3.44Å; I495-V527 HydrophobicContact CD1-CG1 4.08Å; F514-V527 HydrophobicContact CB-CG2 4.38Å; F514-V527 HydrophobicContact CD1-CG2 4.14Å; F514-V527 HydrophobicContact CD2-CG1 4.15Å; F514-V527 HydrophobicContact CD2-CG2 4.27Å; F514-V527 HydrophobicContact CE2-CG1 4.45Å; F514-V527 HydrophobicContact CG-CG2 4.01Å; I521-V527 HydrophobicContact CG2-CG2 3.9Å; V522-V527 HydrophobicContact CG2-CG2 4.07Å; V527-V765 HydrophobicContact CB-CB 4.2Å; V527-V765 HydrophobicContact CB-CG2 4.3Å; V527-V765 HydrophobicContact CG1-CB 4.31Å; V527-V765 HydrophobicContact CG1-CG2 3.92Å; V527-V765 PolarHBondContact O-N 2.78Å
528	Y	97.7	Very high	91	Very high	50 Å²	50	33.7 Å²	33.7	20%	0.196	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.7	-177.1	-57.8	-93.2	0	0	0	110.4	I493 I494 I495 G525 H526 M762 L763 R764	I493-Y528 PolarHBondContact O-N 3.02Å; I494-Y528 WeakPolarHBondContact CA-O 3.25Å; I495-Y528 PolarHBondContact N-O 3.36Å; G525-Y528 VanDerWaalsContact O-CZ 3.28Å; G525-Y528 PolarHBondContact O-OH 3.11Å; G525-Y528 VanDerWaalsContact O-OH 3.09Å; H526-Y528 VanDerWaalsContact O-CD2 3.31Å; H526-Y528 WeakPolarHBondContact O-CD2 3.12Å; H526-Y528 WeakPolarHBondContact O-CE2 3.43Å; Y528-M762 HydrophobicContact CD1-CB 4.3Å; Y528-M762 HydrophobicContact CD1-SD 4.49Å; Y528-M762 HydrophobicContact CG-SD 4.34Å; Y528-L763 CarbonylContact C-O 3.57Å; Y528-L763 VanDerWaalsContact CA-O 3.22Å; Y528-L763 WeakPolarHBondContact CA-O 3.16Å; Y528-R764 HydrophobicContact CD1-CB 4Å; Y528-R764 HydrophobicContact CD1-CG 4.13Å; Y528-R764 HydrophobicContact CE1-CB 3.95Å; Y528-R764 HydrophobicContact CE1-CG 3.76Å
529	I	95.7	Very high	90.7	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.097	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124	172.2	-58.1	159.6	0	0	0	107.3	I495 R507 L511 M762 L763 V765	I495-I529 HydrophobicContact CB-CG1 4.5Å; R507-I529 HydrophobicContact CG-CD1 4.5Å; L511-I529 HydrophobicContact CD1-CD1 4.48Å; I529-M762 WeakPolarHBondContact O-CA 3.1Å; I529-L763 HydrophobicContact CB-CB 4.28Å; I529-L763 PolarHBondContact N-O 3.11Å; I529-L763 PolarHBondContact O-N 3.05Å; I529-V765 HydrophobicContact CD1-CG2 3.87Å; I529-V765 HydrophobicContact CG1-CG2 3.98Å
530	A	93.5	Very high	90.3	Very high	6 Å²	6	38.8 Å²	38.8	5%	0.05	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	147.4	176.5	0	0	0	0	0	111	I494 I495 M496 P532 T754	I494-A530 HydrophobicContact CG2-CB 3.95Å; I495-A530 PolarHBondContact O-N 2.89Å; M496-A530 HydrophobicContact CB-CB 4.02Å; M496-A530 HydrophobicContact CG-CB 3.89Å; A530-P532 WeakPolarHBondContact O-CD 3.45Å; A530-T754 HydrophobicContact CB-CG2 3.76Å
531	Q	88.9	Confident	89.7	Confident	48 Å²	48	45.6 Å²	45.6	22%	0.224	22%	0.223	C	C	.	.			trans	-122	78.5	177.5	-66.9	-71.1	-78.3	0	0	109.6	R761 L763	Q531-R761 HydrophobicContact CB-CB 4.34Å; Q531-R761 PolarHBondContact N-O 2.84Å; Q531-L763 HydrophobicContact CG-CD1 4.34Å; Q531-L763 HydrophobicContact CG-CG 3.89Å
532	P	86.7	Confident	89.1	Confident	32 Å²	32	52.8 Å²	52.8	21%	0.208	26%	0.257	C	S	.	.			trans	-62.3	151.4	173.6	29.6	-36	0	0	0	110.4	A530 L742 T754	A530-P532 WeakPolarHBondContact O-CD 3.45Å; P532-L742 HydrophobicContact CB-CD2 3.74Å; P532-L742 HydrophobicContact CG-CD2 3.88Å; P532-T754 WeakPolarHBondContact CA-OG1 3.47Å; P532-T754 HydrophobicContact CB-CG2 4.34Å
533	P	87.4	Confident	88.8	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.071	27%	0.274	C	S	.	.			trans	-71.9	141.4	-179.5	30.2	-35.4	0	0	0	111.4	Y545 I546 Y739 M745 T753	P533-Y545 HydrophobicContact CG-CD1 4.04Å; P533-Y545 HydrophobicContact CG-CG 4.32Å; P533-I546 CarbonylContact C-O 3.54Å; P533-I546 WeakPolarHBondContact CB-O 3.5Å; P533-Y739 WeakPolarHBondContact O-CD2 3.03Å; P533-M745 HydrophobicContact CG-CE 3.48Å; P533-M745 VanDerWaalsContact CG-CE 3.48Å; P533-T753 HydrophobicContact CG-CG2 3.8Å
534	L	85.7	Confident	88.8	Confident	36 Å²	36	54.8 Å²	54.8	19%	0.188	27%	0.266	C	S	.	.	S	Bend	trans	-76.6	-30.9	175.6	-172	58.5	0	0	0	112.4	I546 K547 R738 Y739	L534-I546 PolarHBondContact N-O 3.09Å; L534-K547 WeakPolarHBondContact CB-O 3.35Å; L534-K547 PolarHBondContact N-O 3.22Å; L534-R738 HydrophobicContact CD1-CG 4.24Å; L534-R738 HydrophobicContact CG-CG 4.42Å; L534-R738 WeakPolarHBondContact O-CA 3.3Å; L534-Y739 PolarHBondContact O-N 2.94Å
535	Y	87.1	Confident	88.6	Confident	27 Å²	27	52.9 Å²	52.9	11%	0.106	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.2	-177.3	-52.8	-84.1	0	0	0	113.5	Y545 I546 D549 M552 I736 Q737 R738	Y535-Y545 WeakPolarHBondContact O-CA 3.41Å; Y535-I546 HydrophobicContact CD2-CG2 4.39Å; Y535-I546 PolarHBondContact N-O 3.37Å; Y535-I546 PolarHBondContact O-N 3.47Å; Y535-D549 VanDerWaalsContact CE2-OD1 3.26Å; Y535-D549 WeakPolarHBondContact CE2-OD1 3.21Å; Y535-D549 VanDerWaalsContact CZ-OD1 3.29Å; Y535-D549 PolarHBondContact OH-OD1 2.94Å; Y535-M552 HydrophobicContact CD2-CB 4.12Å; Y535-M552 HydrophobicContact CD2-CG 4.28Å; Y535-M552 HydrophobicContact CD2-SD 4.45Å; Y535-M552 HydrophobicContact CE2-CB 4.12Å; Y535-M552 HydrophobicContact CE2-CG 4.33Å; Y535-M552 HydrophobicContact CG-SD 4.48Å; Y535-I736 HydrophobicContact CD1-CG2 3.91Å; Y535-Q737 CarbonylContact C-O 3.56Å; Y535-Q737 VanDerWaalsContact CA-O 3.28Å; Y535-Q737 WeakPolarHBondContact CA-O 3.43Å; Y535-R738 HydrophobicContact CD1-CB 3.86Å; Y535-R738 HydrophobicContact CD1-CG 3.99Å; Y535-R738 HydrophobicContact CE1-CB 3.83Å; Y535-R738 HydrophobicContact CE1-CG 3.66Å
536	K	88.1	Confident	88.2	Confident	24 Å²	24	53.1 Å²	53.1	10%	0.104	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.9	160.7	177.4	176.1	-176.7	157.1	0	108.4	E543 Y545 Q737 Y739	K536-E543 VanDerWaalsContact CE-CD 3.46Å; K536-E543 WeakPolarHBondContact CE-OE2 3.17Å; K536-E543 IonicContact NZ-OE1 3.04Å; K536-E543 IonicContact NZ-OE2 3.39Å; K536-E543 PolarHBondContact NZ-OE2 3.4Å; K536-Y545 HydrophobicContact CB-CD1 4.02Å; K536-Y545 HydrophobicContact CB-CE1 4.04Å; K536-Y545 HydrophobicContact CD-CE1 3.75Å; K536-Y545 HydrophobicContact CG-CD1 4.19Å; K536-Y545 HydrophobicContact CG-CE1 3.87Å; K536-Y545 PolarHBondContact NZ-OH 2.85Å; K536-Q737 HydrophobicContact CB-CB 4.39Å; K536-Q737 PolarHBondContact N-O 2.95Å; K536-Q737 PolarHBondContact O-N 3.42Å; K536-Y739 HydrophobicContact CB-CE2 3.73Å; K536-Y739 WeakPolarHBondContact CD-OH 3.39Å
537	V	89	Confident	87.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.5	176.8	-170.5	0	0	0	0	110.4	E543 Q544 I546 M552 Y555 L734 S735 I736	V537-E543 CarbonylContact O-C 3.28Å; V537-E543 WeakPolarHBondContact O-CA 3.33Å; V537-Q544 PolarHBondContact N-O 3.33Å; V537-Q544 PolarHBondContact O-N 2.9Å; V537-I546 HydrophobicContact CB-CD1 4.37Å; V537-I546 HydrophobicContact CG2-CD1 3.49Å; V537-I546 VanDerWaalsContact CG2-CD1 3.49Å; V537-I546 HydrophobicContact CG2-CG1 4.42Å; V537-M552 HydrophobicContact CG2-CE 3.89Å; V537-M552 HydrophobicContact CG2-SD 3.98Å; V537-Y555 HydrophobicContact CB-CE1 3.83Å; V537-Y555 HydrophobicContact CG1-CE1 3.68Å; V537-Y555 HydrophobicContact CG2-CD1 4.44Å; V537-Y555 HydrophobicContact CG2-CE1 3.97Å; V537-L734 HydrophobicContact CG1-CB 4.32Å; V537-L734 HydrophobicContact CG1-CD2 3.65Å; V537-L734 HydrophobicContact CG1-CG 4.43Å; V537-S735 CarbonylContact C-O 3.55Å; V537-S735 WeakPolarHBondContact CA-O 3.33Å; V537-I736 HydrophobicContact CG1-CG1 4.13Å; V537-I736 HydrophobicContact CG2-CG1 4.18Å; V537-I736 HydrophobicContact CG2-CG2 4.38Å
538	K	87.4	Confident	86.7	Confident	82 Å²	82	57.3 Å²	57.3	36%	0.357	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.2	179.8	-176.9	170.7	-172.1	153.6	0	111.3	G540 Q542 E543 S735	K538-G540 WeakPolarHBondContact CE-O 3.46Å; K538-Q542 WeakPolarHBondContact CA-O 3.37Å; K538-E543 HydrophobicContact CB-CG 4.21Å; K538-E543 HydrophobicContact CD-CG 4.02Å; K538-E543 WeakPolarHBondContact CD-OE1 3.05Å; K538-E543 VanDerWaalsContact CE-OE1 3.28Å; K538-E543 WeakPolarHBondContact CE-OE1 3.38Å; K538-E543 HydrophobicContact CG-CG 3.89Å; K538-E543 IonicContact NZ-OE1 3.99Å; K538-E543 PolarHBondContact NZ-OE1 2.92Å; K538-S735 PolarHBondContact N-O 3.12Å; K538-S735 PolarHBondContact O-N 3.45Å
539	K	83.3	Confident	85.8	Confident	88 Å²	88	58.5 Å²	58.5	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	98.3	171.7	-167.8	179.6	177.5	-175.3	0	108.2	K541 Q542 D562 L734	K539-K541 PolarHBondContact O-N 3.48Å; K539-K541 VanDerWaalsContact O-N 3.11Å; K539-Q542 PolarHBondContact N-O 3.39Å; K539-Q542 PolarHBondContact O-N 3.28Å; K539-Q542 VanDerWaalsContact O-N 3.09Å; K539-D562 IonicContact NZ-OD2 3.19Å; K539-L734 HydrophobicContact CB-CD2 3.79Å; K539-L734 HydrophobicContact CD-CD2 4.32Å; K539-L734 HydrophobicContact CG-CD2 4.14Å
540	G	80.7	Confident	84.8	Confident	62 Å²	62	62.6 Å²	62.6	64%	0.639	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-112	-174.3	0	0	0	0	0	112.3	K538	K538-G540 WeakPolarHBondContact CE-O 3.46Å
541	K	78.6	Confident	84.3	Confident	209 Å²	209	63.4 Å²	63.4	91%	0.909	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-12.2	177.4	-67.2	-173.2	180	-178.6	0	114.1	K539	K539-K541 PolarHBondContact O-N 3.48Å; K539-K541 VanDerWaalsContact O-N 3.11Å
542	Q	81.5	Confident	84.1	Confident	150 Å²	150	61.5 Å²	61.5	70%	0.701	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.4	179.2	-69.1	177.6	-15.5	0	0	109.7	K538 K539	K538-Q542 WeakPolarHBondContact CA-O 3.37Å; K539-Q542 PolarHBondContact N-O 3.39Å; K539-Q542 PolarHBondContact O-N 3.28Å; K539-Q542 VanDerWaalsContact O-N 3.09Å
543	E	86.6	Confident	83.8	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.1	178	-62.9	-176.9	171.9	0	0	108.5	K536 V537 K538	K536-E543 VanDerWaalsContact CE-CD 3.46Å; K536-E543 WeakPolarHBondContact CE-OE2 3.17Å; K536-E543 IonicContact NZ-OE1 3.04Å; K536-E543 IonicContact NZ-OE2 3.39Å; K536-E543 PolarHBondContact NZ-OE2 3.4Å; V537-E543 CarbonylContact O-C 3.28Å; V537-E543 WeakPolarHBondContact O-CA 3.33Å; K538-E543 HydrophobicContact CB-CG 4.21Å; K538-E543 HydrophobicContact CD-CG 4.02Å; K538-E543 WeakPolarHBondContact CD-OE1 3.05Å; K538-E543 VanDerWaalsContact CE-OE1 3.28Å; K538-E543 WeakPolarHBondContact CE-OE1 3.38Å; K538-E543 HydrophobicContact CG-CG 3.89Å; K538-E543 IonicContact NZ-OE1 3.99Å; K538-E543 PolarHBondContact NZ-OE1 2.92Å
544	Q	87.2	Confident	83.4	Confident	96 Å²	96	68.6 Å²	68.6	45%	0.449	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.7	179.2	-178	166.7	-10.7	0	0	110.3	V537 Y555	V537-Q544 PolarHBondContact N-O 3.33Å; V537-Q544 PolarHBondContact O-N 2.9Å; Q544-Y555 HydrophobicContact CG-CE2 4.45Å
545	Y	87.6	Confident	83.4	Confident	57 Å²	57	68.4 Å²	68.4	22%	0.224	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140	175	-59	-79.3	0	0	0	110.5	P533 Y535 K536 Y739 Q749 T753	P533-Y545 HydrophobicContact CG-CD1 4.04Å; P533-Y545 HydrophobicContact CG-CG 4.32Å; Y535-Y545 WeakPolarHBondContact O-CA 3.41Å; K536-Y545 HydrophobicContact CB-CD1 4.02Å; K536-Y545 HydrophobicContact CB-CE1 4.04Å; K536-Y545 HydrophobicContact CD-CE1 3.75Å; K536-Y545 HydrophobicContact CG-CD1 4.19Å; K536-Y545 HydrophobicContact CG-CE1 3.87Å; K536-Y545 PolarHBondContact NZ-OH 2.85Å; Y545-Y739 HydrophobicContact CD1-CE2 4.29Å; Y545-Y739 HydrophobicContact CE1-CE2 4.36Å; Y545-Q749 WeakPolarHBondContact OH-CG 3.47Å; Y545-T753 HydrophobicContact CD1-CG2 3.61Å; Y545-T753 HydrophobicContact CD2-CG2 3.42Å; Y545-T753 VanDerWaalsContact CD2-CG2 3.42Å; Y545-T753 HydrophobicContact CE1-CG2 3.84Å; Y545-T753 HydrophobicContact CE2-CG2 3.67Å; Y545-T753 HydrophobicContact CG-CG2 3.4Å; Y545-T753 VanDerWaalsContact CG-CG2 3.4Å
546	I	85.8	Confident	83.2	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.9	-174.9	-61.7	174.9	0	0	0	108.4	P533 L534 Y535 V537 A551 M552 Y555	P533-I546 CarbonylContact C-O 3.54Å; P533-I546 WeakPolarHBondContact CB-O 3.5Å; L534-I546 PolarHBondContact N-O 3.09Å; Y535-I546 HydrophobicContact CD2-CG2 4.39Å; Y535-I546 PolarHBondContact N-O 3.37Å; Y535-I546 PolarHBondContact O-N 3.47Å; V537-I546 HydrophobicContact CB-CD1 4.37Å; V537-I546 HydrophobicContact CG2-CD1 3.49Å; V537-I546 VanDerWaalsContact CG2-CD1 3.49Å; V537-I546 HydrophobicContact CG2-CG1 4.42Å; I546-A551 HydrophobicContact CG2-CB 3.7Å; I546-M552 HydrophobicContact CD1-SD 3.37Å; I546-M552 WeakPolarHBondContact CD1-SD 3.45Å; I546-M552 HydrophobicContact CG2-CB 3.85Å; I546-M552 VanDerWaalsContact CG2-N 3.26Å; I546-M552 HydrophobicContact CG2-SD 4.33Å; I546-Y555 HydrophobicContact CD1-CD1 3.31Å; I546-Y555 HydrophobicContact CD1-CD2 4.3Å; I546-Y555 HydrophobicContact CD1-CE1 3.84Å; I546-Y555 HydrophobicContact CD1-CG 3.53Å; I546-Y555 HydrophobicContact CG1-CG 4.48Å
547	K	80.8	Confident	82.8	Confident	69 Å²	69	68.5 Å²	68.5	30%	0.3	34%	0.338	S	S	.	.			trans	-67.6	-54.5	-168.2	-179.8	-171.7	162.5	-123.4	0	112.9	L534	L534-K547 WeakPolarHBondContact CB-O 3.35Å; L534-K547 PolarHBondContact N-O 3.22Å
548	D	80.6	Confident	82.5	Confident	45 Å²	45	72 Å²	72	24%	0.241	36%	0.362	C	S	.	.	S	Bend	trans	-145.7	177.4	-169.4	47.7	35.8	0	0	0	110.1	E550 A551 M552	D548-E550 VanDerWaalsContact C-N 3.28Å; D548-E550 PolarHBondContact O-N 3.33Å; D548-A551 PolarHBondContact O-N 2.95Å; D548-A551 VanDerWaalsContact OD1-CB 3.25Å; D548-A551 WeakPolarHBondContact OD1-CB 3.46Å; D548-A551 PolarHBondContact OD1-N 2.89Å; D548-M552 PolarHBondContact O-N 3.46Å
549	D	79.3	Confident	82.4	Confident	76 Å²	76	68.7 Å²	68.7	41%	0.406	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-36.3	180	-64.2	-40.1	0	0	0	112	Y535 M552 D553	Y535-D549 VanDerWaalsContact CE2-OD1 3.26Å; Y535-D549 WeakPolarHBondContact CE2-OD1 3.21Å; Y535-D549 VanDerWaalsContact CZ-OD1 3.29Å; Y535-D549 PolarHBondContact OH-OD1 2.94Å; D549-M552 WeakPolarHBondContact O-CA 3.48Å; D549-M552 WeakPolarHBondContact O-CB 3.48Å; D549-M552 PolarHBondContact O-N 2.98Å; D549-M552 VanDerWaalsContact O-N 3.14Å; D549-D553 PolarHBondContact O-N 3.42Å
550	E	76.2	Confident	82.4	Confident	104 Å²	104	64.7 Å²	64.7	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-44.6	177.8	174.2	162.9	-145	0	0	112.3	D548 M552 D553 Q554 K592	D548-E550 VanDerWaalsContact C-N 3.28Å; D548-E550 PolarHBondContact O-N 3.33Å; E550-M552 PolarHBondContact O-N 2.81Å; E550-D553 PolarHBondContact O-N 3.26Å; E550-Q554 WeakPolarHBondContact O-CG 3.42Å; E550-Q554 PolarHBondContact O-N 2.97Å; E550-Q554 VanDerWaalsContact O-N 3.09Å; E550-K592 IonicContact OE1-NZ 2.97Å; E550-K592 PolarHBondContact OE1-NZ 3.37Å
551	A	82.6	Confident	82.6	Confident	23 Å²	23	62.5 Å²	62.5	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-32.1	173.6	0	0	0	0	0	111.5	I546 D548 Y555	I546-A551 HydrophobicContact CG2-CB 3.7Å; D548-A551 PolarHBondContact O-N 2.95Å; D548-A551 VanDerWaalsContact OD1-CB 3.25Å; D548-A551 WeakPolarHBondContact OD1-CB 3.46Å; D548-A551 PolarHBondContact OD1-N 2.89Å; A551-Y555 VanDerWaalsContact O-CB 3.28Å; A551-Y555 WeakPolarHBondContact O-CB 3.24Å; A551-Y555 PolarHBondContact O-N 3.49Å
552	M	84.5	Confident	82.9	Confident	9 Å²	9	57.3 Å²	57.3	4%	0.044	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-42.7	174.9	-173.3	61.8	-179.1	0	0	111.5	Y535 V537 I546 D548 D549 E550 Y555 Q556 I736	Y535-M552 HydrophobicContact CD2-CB 4.12Å; Y535-M552 HydrophobicContact CD2-CG 4.28Å; Y535-M552 HydrophobicContact CD2-SD 4.45Å; Y535-M552 HydrophobicContact CE2-CB 4.12Å; Y535-M552 HydrophobicContact CE2-CG 4.33Å; Y535-M552 HydrophobicContact CG-SD 4.48Å; V537-M552 HydrophobicContact CG2-CE 3.89Å; V537-M552 HydrophobicContact CG2-SD 3.98Å; I546-M552 HydrophobicContact CD1-SD 3.37Å; I546-M552 WeakPolarHBondContact CD1-SD 3.45Å; I546-M552 HydrophobicContact CG2-CB 3.85Å; I546-M552 VanDerWaalsContact CG2-N 3.26Å; I546-M552 HydrophobicContact CG2-SD 4.33Å; D548-M552 PolarHBondContact O-N 3.46Å; D549-M552 WeakPolarHBondContact O-CA 3.48Å; D549-M552 WeakPolarHBondContact O-CB 3.48Å; D549-M552 PolarHBondContact O-N 2.98Å; D549-M552 VanDerWaalsContact O-N 3.14Å; E550-M552 PolarHBondContact O-N 2.81Å; M552-Y555 PolarHBondContact O-N 2.74Å; M552-Y555 HydrophobicContact SD-CD1 4.38Å; M552-Q556 HydrophobicContact CE-CG 4.14Å; M552-Q556 VanDerWaalsContact CE-NE2 3.3Å; M552-Q556 WeakPolarHBondContact O-CB 3.34Å; M552-Q556 VanDerWaalsContact O-CG 3.25Å; M552-Q556 WeakPolarHBondContact O-CG 3.44Å; M552-Q556 PolarHBondContact O-N 3.08Å; M552-I736 HydrophobicContact CE-CD1 3.42Å; M552-I736 VanDerWaalsContact CE-CD1 3.42Å; M552-I736 HydrophobicContact CE-CG1 3.84Å; M552-I736 HydrophobicContact CE-CG2 3.92Å
553	D	79	Confident	83	Confident	77 Å²	77	52.7 Å²	52.7	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-62.3	-47.4	176.2	-70.2	-19.4	0	0	0	111.3	D549 E550 Y555 Q556 I557	D549-D553 PolarHBondContact O-N 3.42Å; E550-D553 PolarHBondContact O-N 3.26Å; D553-Y555 VanDerWaalsContact C-N 3.32Å; D553-Y555 PolarHBondContact O-N 3.45Å; D553-Q556 PolarHBondContact O-N 3.31Å; D553-I557 WeakPolarHBondContact O-CD1 3.33Å; D553-I557 VanDerWaalsContact O-CG1 3.27Å; D553-I557 WeakPolarHBondContact O-CG1 3.42Å; D553-I557 PolarHBondContact O-N 2.87Å
554	Q	80.9	Confident	83.2	Confident	114 Å²	114	48.8 Å²	48.8	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-43.1	176.7	-71.2	178.1	-4.8	0	0	112.2	E550 I557 S558	E550-Q554 WeakPolarHBondContact O-CG 3.42Å; E550-Q554 PolarHBondContact O-N 2.97Å; E550-Q554 VanDerWaalsContact O-N 3.09Å; Q554-I557 PolarHBondContact O-N 3.12Å; Q554-S558 PolarHBondContact O-N 3.4Å
555	Y	84.3	Confident	83.4	Confident	32 Å²	32	45.8 Å²	45.8	13%	0.125	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-42.5	177	176.4	-105.1	0	0	0	112.1	V537 Q544 I546 A551 M552 D553 I557 S558 I559	V537-Y555 HydrophobicContact CB-CE1 3.83Å; V537-Y555 HydrophobicContact CG1-CE1 3.68Å; V537-Y555 HydrophobicContact CG2-CD1 4.44Å; V537-Y555 HydrophobicContact CG2-CE1 3.97Å; Q544-Y555 HydrophobicContact CG-CE2 4.45Å; I546-Y555 HydrophobicContact CD1-CD1 3.31Å; I546-Y555 HydrophobicContact CD1-CD2 4.3Å; I546-Y555 HydrophobicContact CD1-CE1 3.84Å; I546-Y555 HydrophobicContact CD1-CG 3.53Å; I546-Y555 HydrophobicContact CG1-CG 4.48Å; A551-Y555 VanDerWaalsContact O-CB 3.28Å; A551-Y555 WeakPolarHBondContact O-CB 3.24Å; A551-Y555 PolarHBondContact O-N 3.49Å; M552-Y555 PolarHBondContact O-N 2.74Å; M552-Y555 HydrophobicContact SD-CD1 4.38Å; D553-Y555 VanDerWaalsContact C-N 3.32Å; D553-Y555 PolarHBondContact O-N 3.45Å; Y555-I557 VanDerWaalsContact C-N 3.32Å; Y555-I557 PolarHBondContact O-N 2.92Å; Y555-S558 PolarHBondContact O-N 3.41Å; Y555-I559 HydrophobicContact CD1-CD1 4.01Å; Y555-I559 HydrophobicContact CD2-CD1 4.38Å; Y555-I559 HydrophobicContact CE1-CD1 3.31Å; Y555-I559 HydrophobicContact CE1-CG1 4.37Å; Y555-I559 HydrophobicContact CE2-CD1 3.73Å; Y555-I559 HydrophobicContact CE2-CG1 4.22Å; Y555-I559 PolarHBondContact O-N 3.46Å; Y555-I559 WeakPolarHBondContact OH-CD1 3.28Å
556	Q	82.4	Confident	83.6	Confident	16 Å²	16	43.1 Å²	43.1	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-40.2	175.7	-74.6	178.1	23.7	0	0	111.9	M552 D553 A560	M552-Q556 HydrophobicContact CE-CG 4.14Å; M552-Q556 VanDerWaalsContact CE-NE2 3.3Å; M552-Q556 WeakPolarHBondContact O-CB 3.34Å; M552-Q556 VanDerWaalsContact O-CG 3.25Å; M552-Q556 WeakPolarHBondContact O-CG 3.44Å; M552-Q556 PolarHBondContact O-N 3.08Å; D553-Q556 PolarHBondContact O-N 3.31Å; Q556-A560 WeakPolarHBondContact O-CB 3.48Å; Q556-A560 PolarHBondContact O-N 2.78Å
557	I	80.9	Confident	83.9	Confident	38 Å²	38	44.4 Å²	44.4	20%	0.195	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-48.7	174.6	-70.3	157	0	0	0	110.5	D553 Q554 Y555 I559 A560 L561 V584 N588	D553-I557 WeakPolarHBondContact O-CD1 3.33Å; D553-I557 VanDerWaalsContact O-CG1 3.27Å; D553-I557 WeakPolarHBondContact O-CG1 3.42Å; D553-I557 PolarHBondContact O-N 2.87Å; Q554-I557 PolarHBondContact O-N 3.12Å; Y555-I557 VanDerWaalsContact C-N 3.32Å; Y555-I557 PolarHBondContact O-N 2.92Å; I557-I559 PolarHBondContact O-N 2.82Å; I557-A560 WeakPolarHBondContact O-CB 3.31Å; I557-A560 PolarHBondContact O-N 2.99Å; I557-A560 VanDerWaalsContact O-N 3.1Å; I557-L561 HydrophobicContact CG2-CD1 3.68Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.32Å; I557-L561 VanDerWaalsContact O-CG 3.27Å; I557-L561 WeakPolarHBondContact O-CG 3.45Å; I557-L561 PolarHBondContact O-N 3.25Å; I557-V584 HydrophobicContact CG2-CG1 3.55Å; I557-N588 HydrophobicContact CD1-CB 4.39Å; I557-N588 WeakPolarHBondContact CD1-ND2 3.2Å
558	S	83	Confident	84.2	Confident	72 Å²	72	42.1 Å²	42.1	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-58.1	-45.8	178.8	173.7	0	0	0	0	112.2	Q554 Y555 A560 L561 D562	Q554-S558 PolarHBondContact O-N 3.4Å; Y555-S558 PolarHBondContact O-N 3.41Å; S558-A560 VanDerWaalsContact C-N 3.32Å; S558-A560 PolarHBondContact O-N 2.85Å; S558-L561 PolarHBondContact O-N 3.26Å; S558-D562 PolarHBondContact O-N 3.44Å; S558-D562 VanDerWaalsContact O-N 3.16Å
559	I	83.8	Confident	84.4	Confident	14 Å²	14	41.4 Å²	41.4	7%	0.072	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-35.4	176.4	-64.9	-177.5	0	0	0	111.9	Y555 I557 L561 D562 R709 L734	Y555-I559 HydrophobicContact CD1-CD1 4.01Å; Y555-I559 HydrophobicContact CD2-CD1 4.38Å; Y555-I559 HydrophobicContact CE1-CD1 3.31Å; Y555-I559 HydrophobicContact CE1-CG1 4.37Å; Y555-I559 HydrophobicContact CE2-CD1 3.73Å; Y555-I559 HydrophobicContact CE2-CG1 4.22Å; Y555-I559 PolarHBondContact O-N 3.46Å; Y555-I559 WeakPolarHBondContact OH-CD1 3.28Å; I557-I559 PolarHBondContact O-N 2.82Å; I559-L561 PolarHBondContact O-N 3.5Å; I559-D562 PolarHBondContact O-N 2.93Å; I559-R709 PolarHBondContact O-NH2 3.33Å; I559-L734 HydrophobicContact CD1-CD1 3.93Å; I559-L734 HydrophobicContact CD1-CD2 3.96Å; I559-L734 HydrophobicContact CG2-CD1 4.34Å
560	A	84.1	Confident	84.5	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-32.4	178.9	0	0	0	0	0	112	Q556 I557 S558 R709 L726 V727 S730	Q556-A560 WeakPolarHBondContact O-CB 3.48Å; Q556-A560 PolarHBondContact O-N 2.78Å; I557-A560 WeakPolarHBondContact O-CB 3.31Å; I557-A560 PolarHBondContact O-N 2.99Å; I557-A560 VanDerWaalsContact O-N 3.1Å; S558-A560 VanDerWaalsContact C-N 3.32Å; S558-A560 PolarHBondContact O-N 2.85Å; A560-R709 WeakPolarHBondContact O-CD 3.1Å; A560-L726 HydrophobicContact CB-CB 4Å; A560-V727 HydrophobicContact CB-CG2 4.42Å; A560-S730 VanDerWaalsContact CA-CB 3.46Å
561	L	85.9	Confident	84.6	Confident	16 Å²	16	41.9 Å²	41.9	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-83.5	-23.7	179.2	-69.4	172.5	0	0	0	113.8	I557 S558 I559 G563 A564 L580 E581 V584 L726	I557-L561 HydrophobicContact CG2-CD1 3.68Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.32Å; I557-L561 VanDerWaalsContact O-CG 3.27Å; I557-L561 WeakPolarHBondContact O-CG 3.45Å; I557-L561 PolarHBondContact O-N 3.25Å; S558-L561 PolarHBondContact O-N 3.26Å; I559-L561 PolarHBondContact O-N 3.5Å; L561-G563 PolarHBondContact O-N 2.93Å; L561-G563 VanDerWaalsContact O-N 3.07Å; L561-A564 WeakPolarHBondContact O-CB 3.21Å; L561-A564 PolarHBondContact O-N 2.83Å; L561-L580 HydrophobicContact CD2-CD2 3.76Å; L561-L580 HydrophobicContact CD2-CG 3.68Å; L561-E581 HydrophobicContact CB-CG 4.29Å; L561-E581 HydrophobicContact CD1-CB 4.23Å; L561-E581 HydrophobicContact CD1-CG 3.69Å; L561-V584 HydrophobicContact CD1-CB 4.1Å; L561-V584 HydrophobicContact CD1-CG1 4.05Å; L561-V584 HydrophobicContact CD1-CG2 4.47Å; L561-V584 HydrophobicContact CD2-CB 4.36Å; L561-V584 HydrophobicContact CD2-CG2 3.84Å; L561-L726 HydrophobicContact CD2-CD1 4.44Å
562	D	83.6	Confident	84.4	Confident	100 Å²	100	41.9 Å²	41.9	54%	0.535	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	113	174.6	-178.5	29.8	0	0	0	111	K539 S558 I559 A564 R709	K539-D562 IonicContact NZ-OD2 3.19Å; S558-D562 PolarHBondContact O-N 3.44Å; S558-D562 VanDerWaalsContact O-N 3.16Å; I559-D562 PolarHBondContact O-N 2.93Å; D562-A564 VanDerWaalsContact C-N 3.31Å; D562-A564 PolarHBondContact O-N 2.86Å; D562-R709 PolarHBondContact O-NE 3.24Å; D562-R709 VanDerWaalsContact O-NE 3.11Å
563	G	83.6	Confident	84.3	Confident	52 Å²	52	47.2 Å²	47.2	54%	0.536	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	16	-176.7	0	0	0	0	0	115.2	L561 R709	L561-G563 PolarHBondContact O-N 2.93Å; L561-G563 VanDerWaalsContact O-N 3.07Å; G563-R709 WeakPolarHBondContact O-CA 3.5Å
564	A	90.8	Very high	84.6	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.033	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.3	178.7	0	0	0	0	0	112.5	L561 D562 L580 E708 L726	L561-A564 WeakPolarHBondContact O-CB 3.21Å; L561-A564 PolarHBondContact O-N 2.83Å; D562-A564 VanDerWaalsContact C-N 3.31Å; D562-A564 PolarHBondContact O-N 2.86Å; A564-L580 HydrophobicContact CB-CD2 4.01Å; A564-E708 CarbonylContact C-O 3.59Å; A564-E708 VanDerWaalsContact CA-O 3.28Å; A564-E708 WeakPolarHBondContact CA-O 3.23Å; A564-L726 HydrophobicContact CB-CD1 4.27Å; A564-L726 HydrophobicContact CB-CD2 3.66Å
565	T	91.2	Very high	85	Confident	34 Å²	34	42.1 Å²	42.1	21%	0.209	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.6	174.4	53	0	0	0	0	110.1	A574 A576 I707 E708	T565-A574 HydrophobicContact CG2-CB 4.26Å; T565-A576 HydrophobicContact CG2-CB 3.95Å; T565-I707 WeakPolarHBondContact O-CD1 3.48Å; T565-E708 PolarHBondContact N-O 3.38Å; T565-E708 PolarHBondContact O-N 3.48Å; T565-E708 WeakPolarHBondContact OG1-CB 2.92Å
566	L	91.9	Very high	85.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.4	174.3	179.3	64.8	0	0	0	109.7	L575 L580 L701 I707 V716 F719 A722	L566-L575 HydrophobicContact CB-CB 4.13Å; L566-L575 PolarHBondContact N-O 3.01Å; L566-L575 PolarHBondContact O-N 2.94Å; L566-L580 HydrophobicContact CB-CD1 3.99Å; L566-L580 HydrophobicContact CD2-CD1 4.17Å; L566-L701 HydrophobicContact CD1-CD2 4.02Å; L566-L701 HydrophobicContact CD2-CD2 4.23Å; L566-L701 HydrophobicContact CG-CD2 4.31Å; L566-I707 HydrophobicContact CB-CD1 3.77Å; L566-I707 HydrophobicContact CD1-CB 4.33Å; L566-I707 HydrophobicContact CD1-CD1 3.9Å; L566-I707 HydrophobicContact CG-CD1 4.44Å; L566-V716 HydrophobicContact CD1-CG2 4.28Å; L566-F719 HydrophobicContact CD2-CD2 3.94Å; L566-F719 HydrophobicContact CD2-CE2 3.77Å; L566-A722 HydrophobicContact CD1-CB 4.28Å
567	H	91.7	Very high	85.3	Confident	32 Å²	32	44 Å²	44	15%	0.148	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.3	176.3	-67.7	-103	0	0	0	109	N569 A705 F706	H567-N569 VanDerWaalsContact C-N 3.27Å; H567-N569 PolarHBondContact O-N 3.22Å; H567-A705 VanDerWaalsContact O-CA 3.32Å; H567-A705 WeakPolarHBondContact O-CA 3.26Å; H567-A705 WeakPolarHBondContact O-CB 3.45Å; H567-F706 HydrophobicContact CB-CD1 3.77Å; H567-F706 HydrophobicContact CB-CD2 4.16Å; H567-F706 HydrophobicContact CB-CE1 3.46Å; H567-F706 VanDerWaalsContact CB-CE1 3.46Å; H567-F706 HydrophobicContact CB-CE2 3.89Å; H567-F706 HydrophobicContact CB-CG 4.11Å; H567-F706 HydrophobicContact CB-CZ 3.53Å; H567-F706 AromaticContact CD2-CD2 3.93Å; H567-F706 AromaticContact CD2-CE2 3.24Å; H567-F706 WeakPolarHBondContact CD2-CE2 3.48Å; H567-F706 AromaticContact CD2-CZ 3.48Å; H567-F706 VanDerWaalsContact CD2-CZ 3.48Å; H567-F706 WeakPolarHBondContact CD2-CZ 3.42Å; H567-F706 AromaticContact CE1-CZ 3.93Å; H567-F706 AromaticContact CG-CE1 3.74Å; H567-F706 AromaticContact CG-CE2 3.52Å; H567-F706 AromaticContact CG-CZ 3.24Å; H567-F706 PolarHBondContact N-O 3.48Å; H567-F706 AromaticContact ND1-CZ 3.58Å; H567-F706 AromaticContact NE2-CE2 3.8Å; H567-F706 AromaticContact NE2-CZ 3.94Å; H567-F706 PolarHBondContact O-N 3.45Å
568	T	87.1	Confident	85.4	Confident	22 Å²	22	50.1 Å²	50.1	14%	0.135	33%	0.333	C	S	.	.	S	Bend	trans	-69.9	-26.4	-178.8	55.2	0	0	0	0	112.6	A572 L700 E702 A705	T568-A572 WeakPolarHBondContact OG1-CB 3.1Å; T568-L700 WeakPolarHBondContact CB-O 3.11Å; T568-L700 HydrophobicContact CG2-CD1 3.77Å; T568-L700 HydrophobicContact CG2-CG 4.13Å; T568-L700 WeakPolarHBondContact CG2-O 3.23Å; T568-E702 PolarHBondContact O-N 3.17Å; T568-A705 WeakPolarHBondContact O-CB 3.25Å
569	N	86.4	Confident	85.6	Confident	30 Å²	30	49.4 Å²	49.4	16%	0.16	33%	0.332	C	S	.	.	S	Bend	trans	-157	179.3	166.6	64.4	49	0	0	0	109.3	H567 S571 A572 E702	H567-N569 VanDerWaalsContact C-N 3.27Å; H567-N569 PolarHBondContact O-N 3.22Å; N569-S571 PolarHBondContact O-N 2.99Å; N569-S571 WeakPolarHBondContact OD1-CA 3.26Å; N569-S571 PolarHBondContact OD1-N 3.43Å; N569-A572 VanDerWaalsContact OD1-CB 3.28Å; N569-A572 WeakPolarHBondContact OD1-CB 3.13Å; N569-A572 PolarHBondContact OD1-N 3.42Å; N569-E702 HydrophobicContact CB-CB 4.16Å; N569-E702 PolarHBondContact ND2-OE2 3.39Å
570	A	80	Confident	85.9	Confident	73 Å²	73	49 Å²	49	60%	0.603	33%	0.329	S	S	*	.	S	Bend	trans	-63.3	-20.4	-177.7	0	0	0	0	0	115.4
571	S	78.2	Confident	86	Confident	117 Å²	117	53.3 Å²	53.3	82%	0.818	35%	0.349	S	S	*	.	S	Bend	trans	-113.6	-16.7	-172.3	-54.4	0	0	0	0	114.1	N569	N569-S571 PolarHBondContact O-N 2.99Å; N569-S571 WeakPolarHBondContact OD1-CA 3.26Å; N569-S571 PolarHBondContact OD1-N 3.43Å
572	A	79.6	Confident	86	Confident	22 Å²	22	58.9 Å²	58.9	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	-76.1	148.1	-174.6	0	0	0	0	0	111.6	T568 N569 A574	T568-A572 WeakPolarHBondContact OG1-CB 3.1Å; N569-A572 VanDerWaalsContact OD1-CB 3.28Å; N569-A572 WeakPolarHBondContact OD1-CB 3.13Å; N569-A572 PolarHBondContact OD1-N 3.42Å; A572-A574 PolarHBondContact O-N 3.47Å
573	P	82.6	Confident	86.4	Confident	121 Å²	121	54.7 Å²	54.7	79%	0.786	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-55.2	136.5	169.8	-22.7	33.1	0	0	0	111.1
574	A	85.7	Confident	86.6	Confident	41 Å²	41	52.2 Å²	52.2	34%	0.339	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-64.9	136.7	177.8	0	0	0	0	0	112	T565 A572 A576	T565-A574 HydrophobicContact CG2-CB 4.26Å; A572-A574 PolarHBondContact O-N 3.47Å; A574-A576 PolarHBondContact O-N 3.21Å
575	L	87.4	Confident	86.4	Confident	44 Å²	44	55.7 Å²	55.7	23%	0.23	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	115.6	162.9	-126.4	122.8	0	0	0	108.3	L566 A579 L580 L583 L700	L566-L575 HydrophobicContact CB-CB 4.13Å; L566-L575 PolarHBondContact N-O 3.01Å; L566-L575 PolarHBondContact O-N 2.94Å; L575-A579 HydrophobicContact CD2-CB 4Å; L575-A579 HydrophobicContact CG-CB 4.39Å; L575-L580 HydrophobicContact CD2-CB 4.2Å; L575-L580 HydrophobicContact CD2-CD1 4.33Å; L575-L583 HydrophobicContact CD2-CD2 4.34Å; L575-L700 HydrophobicContact CD1-CD1 4.29Å
576	A	87.4	Confident	86.2	Confident	44 Å²	44	56.3 Å²	56.3	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	165.2	-174.5	0	0	0	0	0	111.4	T565 A574 A579	T565-A576 HydrophobicContact CG2-CB 3.95Å; A574-A576 PolarHBondContact O-N 3.21Å; A576-A579 PolarHBondContact O-N 3.49Å
577	G	85.7	Confident	86.1	Confident	43 Å²	43	56.7 Å²	56.7	44%	0.443	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-137.2	175.4	0	0	0	0	0	113.2	A579 L580 E581	G577-A579 PolarHBondContact O-N 2.85Å; G577-A579 VanDerWaalsContact O-N 3.11Å; G577-L580 PolarHBondContact O-N 3.05Å; G577-E581 PolarHBondContact O-N 2.86Å
578	E	84.6	Confident	85.9	Confident	167 Å²	167	57.1 Å²	57.1	78%	0.78	35%	0.354	S	S	*	.	H	α-helix	trans	-54.4	-33.4	-175.9	-67.5	-174.8	174.6	0	0	113.7	K582	E578-K582 VanDerWaalsContact O-CB 3.25Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.22Å
579	A	87.3	Confident	85.6	Confident	57 Å²	57	58.3 Å²	58.3	47%	0.471	37%	0.366	S	S	.	.	H	α-helix	trans	-66.4	-43.7	179.5	0	0	0	0	0	111.7	L575 A576 G577 L583	L575-A579 HydrophobicContact CD2-CB 4Å; L575-A579 HydrophobicContact CG-CB 4.39Å; A576-A579 PolarHBondContact O-N 3.49Å; G577-A579 PolarHBondContact O-N 2.85Å; G577-A579 VanDerWaalsContact O-N 3.11Å; A579-L583 PolarHBondContact O-N 2.95Å
580	L	89	Confident	85.8	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-72.5	-41.4	177.8	-176.1	61.4	0	0	0	110.5	L561 A564 L566 L575 G577 K582 L583 V584 F719	L561-L580 HydrophobicContact CD2-CD2 3.76Å; L561-L580 HydrophobicContact CD2-CG 3.68Å; A564-L580 HydrophobicContact CB-CD2 4.01Å; L566-L580 HydrophobicContact CB-CD1 3.99Å; L566-L580 HydrophobicContact CD2-CD1 4.17Å; L575-L580 HydrophobicContact CD2-CB 4.2Å; L575-L580 HydrophobicContact CD2-CD1 4.33Å; G577-L580 PolarHBondContact O-N 3.05Å; L580-K582 VanDerWaalsContact C-N 3.35Å; L580-K582 PolarHBondContact O-N 3.38Å; L580-L583 PolarHBondContact O-N 2.79Å; L580-V584 HydrophobicContact CD1-CG2 4.22Å; L580-V584 HydrophobicContact CG-CG2 4.4Å; L580-V584 WeakPolarHBondContact O-CB 3.33Å; L580-V584 VanDerWaalsContact O-CG2 3.32Å; L580-V584 WeakPolarHBondContact O-CG2 3.17Å; L580-V584 PolarHBondContact O-N 3.17Å; L580-F719 HydrophobicContact CD1-CE2 4.36Å
581	E	86.5	Confident	86.2	Confident	96 Å²	96	54.9 Å²	54.9	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-56.5	-46.6	174.7	-76.1	175.4	-170.9	0	0	112.7	L561 G577 V584 S585	L561-E581 HydrophobicContact CB-CG 4.29Å; L561-E581 HydrophobicContact CD1-CB 4.23Å; L561-E581 HydrophobicContact CD1-CG 3.69Å; G577-E581 PolarHBondContact O-N 2.86Å; E581-V584 PolarHBondContact O-N 3.19Å; E581-S585 VanDerWaalsContact O-CB 3.26Å; E581-S585 WeakPolarHBondContact O-CB 3.34Å; E581-S585 PolarHBondContact O-N 2.63Å
582	K	86.8	Confident	86.3	Confident	133 Å²	133	52.7 Å²	52.7	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-61.4	-46.5	177.8	-174.2	175.4	-178.3	178.7	0	111.4	E578 L580 V584 S585 E586	E578-K582 VanDerWaalsContact O-CB 3.25Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.22Å; L580-K582 VanDerWaalsContact C-N 3.35Å; L580-K582 PolarHBondContact O-N 3.38Å; K582-V584 PolarHBondContact O-N 3.39Å; K582-S585 PolarHBondContact O-N 3.1Å; K582-E586 WeakPolarHBondContact CE-OE1 3.46Å; K582-E586 WeakPolarHBondContact CG-OE1 3.19Å; K582-E586 WeakPolarHBondContact O-CB 3.49Å; K582-E586 VanDerWaalsContact O-CG 3.28Å; K582-E586 WeakPolarHBondContact O-CG 3.21Å; K582-E586 PolarHBondContact O-N 3.18Å
583	L	90.4	Very high	86.6	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-41.9	179.8	-174.1	62.3	0	0	0	112.1	L575 A579 L580 E586 Y587 L693 K696 L697 L700 F719	L575-L583 HydrophobicContact CD2-CD2 4.34Å; A579-L583 PolarHBondContact O-N 2.95Å; L580-L583 PolarHBondContact O-N 2.79Å; L583-E586 PolarHBondContact O-N 2.91Å; L583-Y587 WeakPolarHBondContact O-CB 3.27Å; L583-Y587 PolarHBondContact O-N 3.37Å; L583-L693 HydrophobicContact CD1-CD1 4.37Å; L583-K696 HydrophobicContact CD1-CB 4Å; L583-K696 HydrophobicContact CD1-CD 4.38Å; L583-L697 HydrophobicContact CD1-CD2 3.89Å; L583-L697 HydrophobicContact CD2-CD2 4.11Å; L583-L697 HydrophobicContact CG-CD2 4.25Å; L583-L700 HydrophobicContact CD2-CD2 3.62Å; L583-F719 HydrophobicContact CB-CZ 4.24Å; L583-F719 HydrophobicContact CD2-CD2 4.18Å; L583-F719 HydrophobicContact CD2-CE2 3.44Å; L583-F719 VanDerWaalsContact CD2-CE2 3.44Å; L583-F719 HydrophobicContact CD2-CZ 3.66Å; L583-F719 HydrophobicContact CG-CE1 4.2Å; L583-F719 HydrophobicContact CG-CE2 3.91Å; L583-F719 HydrophobicContact CG-CZ 3.56Å
584	V	88.8	Confident	86.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-40.8	176.6	169	0	0	0	0	112	I557 L561 L580 E581 K582 Y587 N588 F719 L723	I557-V584 HydrophobicContact CG2-CG1 3.55Å; L561-V584 HydrophobicContact CD1-CB 4.1Å; L561-V584 HydrophobicContact CD1-CG1 4.05Å; L561-V584 HydrophobicContact CD1-CG2 4.47Å; L561-V584 HydrophobicContact CD2-CB 4.36Å; L561-V584 HydrophobicContact CD2-CG2 3.84Å; L580-V584 HydrophobicContact CD1-CG2 4.22Å; L580-V584 HydrophobicContact CG-CG2 4.4Å; L580-V584 WeakPolarHBondContact O-CB 3.33Å; L580-V584 VanDerWaalsContact O-CG2 3.32Å; L580-V584 WeakPolarHBondContact O-CG2 3.17Å; L580-V584 PolarHBondContact O-N 3.17Å; E581-V584 PolarHBondContact O-N 3.19Å; K582-V584 PolarHBondContact O-N 3.39Å; V584-Y587 PolarHBondContact O-N 3.02Å; V584-N588 WeakPolarHBondContact CG1-ND2 3.5Å; V584-N588 WeakPolarHBondContact O-CB 3.26Å; V584-N588 PolarHBondContact O-N 3.18Å; V584-N588 PolarHBondContact O-ND2 3Å; V584-F719 HydrophobicContact CG2-CE1 4.21Å; V584-F719 HydrophobicContact CG2-CZ 3.64Å; V584-L723 HydrophobicContact CB-CD2 4.16Å; V584-L723 HydrophobicContact CG1-CD2 3.65Å; V584-L723 HydrophobicContact CG2-CD2 3.44Å; V584-L723 VanDerWaalsContact CG2-CD2 3.44Å; V584-L723 HydrophobicContact CG2-CG 4.37Å
585	S	85.2	Confident	86.8	Confident	77 Å²	77	47.7 Å²	47.7	54%	0.538	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-46.7	176	-170.9	0	0	0	0	111.4	E581 K582 N588 A589	E581-S585 VanDerWaalsContact O-CB 3.26Å; E581-S585 WeakPolarHBondContact O-CB 3.34Å; E581-S585 PolarHBondContact O-N 2.63Å; K582-S585 PolarHBondContact O-N 3.1Å; S585-N588 PolarHBondContact O-N 3.46Å; S585-A589 VanDerWaalsContact O-CB 3.31Å; S585-A589 WeakPolarHBondContact O-CB 3.3Å; S585-A589 PolarHBondContact O-N 3.17Å
586	E	87.7	Confident	86.4	Confident	46 Å²	46	53.5 Å²	53.5	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-42.9	175.9	-71.9	176.1	-169.6	0	0	112	K582 L583 A589 T590 L693 K696	K582-E586 WeakPolarHBondContact CE-OE1 3.46Å; K582-E586 WeakPolarHBondContact CG-OE1 3.19Å; K582-E586 WeakPolarHBondContact O-CB 3.49Å; K582-E586 VanDerWaalsContact O-CG 3.28Å; K582-E586 WeakPolarHBondContact O-CG 3.21Å; K582-E586 PolarHBondContact O-N 3.18Å; L583-E586 PolarHBondContact O-N 2.91Å; E586-A589 PolarHBondContact O-N 3.5Å; E586-T590 PolarHBondContact O-N 2.73Å; E586-T590 PolarHBondContact O-OG1 2.94Å; E586-L693 HydrophobicContact CB-CD1 4.26Å; E586-K696 IonicContact OE1-NZ 3.34Å; E586-K696 PolarHBondContact OE1-NZ 3.35Å; E586-K696 VanDerWaalsContact OE2-CD 3.29Å; E586-K696 WeakPolarHBondContact OE2-CD 3.2Å; E586-K696 WeakPolarHBondContact OE2-CE 3.37Å; E586-K696 IonicContact OE2-NZ 2.67Å; E586-K696 PolarHBondContact OE2-NZ 3.4Å
587	Y	91.1	Very high	86.3	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-50.3	175.3	-178	-93.4	0	0	0	111.9	L583 V584 A589 T590 Q591 L693 L697 F719 E720 L723	L583-Y587 WeakPolarHBondContact O-CB 3.27Å; L583-Y587 PolarHBondContact O-N 3.37Å; V584-Y587 PolarHBondContact O-N 3.02Å; Y587-A589 PolarHBondContact O-N 3.25Å; Y587-T590 PolarHBondContact O-N 3.3Å; Y587-Q591 HydrophobicContact CD1-CG 3.92Å; Y587-Q591 HydrophobicContact CE1-CG 3.54Å; Y587-Q591 HydrophobicContact CE2-CG 4.47Å; Y587-Q591 WeakPolarHBondContact O-CG 3.4Å; Y587-Q591 PolarHBondContact O-N 2.95Å; Y587-Q591 PolarHBondContact OH-NE2 2.95Å; Y587-L693 HydrophobicContact CD2-CD2 4.04Å; Y587-L697 HydrophobicContact CD2-CD1 3.91Å; Y587-L697 HydrophobicContact CE2-CD1 4.34Å; Y587-F719 HydrophobicContact CD1-CD1 4.4Å; Y587-F719 HydrophobicContact CD1-CE1 4.43Å; Y587-F719 AromaticContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CE1 4.14Å; Y587-F719 HydrophobicContact CE2-CD1 4.16Å; Y587-F719 AromaticContact CG-CD1 3.82Å; Y587-F719 HydrophobicContact CG-CD1 3.82Å; Y587-F719 AromaticContact CG-CE1 3.84Å; Y587-F719 HydrophobicContact CG-CE1 3.84Å; Y587-E720 WeakPolarHBondContact OH-CB 3.18Å; Y587-E720 WeakPolarHBondContact OH-CG 3.18Å; Y587-L723 HydrophobicContact CD1-CD1 3.26Å; Y587-L723 HydrophobicContact CE1-CD1 3.62Å; Y587-L723 HydrophobicContact CG-CD1 3.97Å
588	N	85.5	Confident	86.3	Confident	42 Å²	42	54.2 Å²	54.2	23%	0.225	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-37.8	179.9	-74.8	-44.3	0	0	0	112.5	I557 V584 S585 T590 Q591 K592	I557-N588 HydrophobicContact CD1-CB 4.39Å; I557-N588 WeakPolarHBondContact CD1-ND2 3.2Å; V584-N588 WeakPolarHBondContact CG1-ND2 3.5Å; V584-N588 WeakPolarHBondContact O-CB 3.26Å; V584-N588 PolarHBondContact O-N 3.18Å; V584-N588 PolarHBondContact O-ND2 3Å; S585-N588 PolarHBondContact O-N 3.46Å; N588-T590 VanDerWaalsContact C-N 3.34Å; N588-Q591 PolarHBondContact O-N 2.95Å; N588-K592 WeakPolarHBondContact O-CB 3.17Å; N588-K592 WeakPolarHBondContact O-CG 3.45Å; N588-K592 PolarHBondContact O-N 3.2Å
589	A	82.6	Confident	86	Confident	47 Å²	47	57.1 Å²	57.1	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-43.1	174.6	0	0	0	0	0	111.3	S585 E586 Y587 K592 M593	S585-A589 VanDerWaalsContact O-CB 3.31Å; S585-A589 WeakPolarHBondContact O-CB 3.3Å; S585-A589 PolarHBondContact O-N 3.17Å; E586-A589 PolarHBondContact O-N 3.5Å; Y587-A589 PolarHBondContact O-N 3.25Å; A589-K592 PolarHBondContact O-N 2.89Å; A589-M593 WeakPolarHBondContact O-CB 3.44Å; A589-M593 PolarHBondContact O-N 2.95Å
590	T	88.8	Confident	85.7	Confident	8 Å²	8	59.1 Å²	59.1	5%	0.049	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-40.9	175.1	-62.6	0	0	0	0	112	E586 Y587 N588 K592 M593 I594 I610 I690 L693	E586-T590 PolarHBondContact O-N 2.73Å; E586-T590 PolarHBondContact O-OG1 2.94Å; Y587-T590 PolarHBondContact O-N 3.3Å; N588-T590 VanDerWaalsContact C-N 3.34Å; T590-K592 PolarHBondContact O-N 3.11Å; T590-M593 HydrophobicContact CG2-CE 4.18Å; T590-M593 WeakPolarHBondContact O-CB 3.44Å; T590-M593 PolarHBondContact O-N 2.83Å; T590-I594 HydrophobicContact CG2-CD1 3.95Å; T590-I594 HydrophobicContact CG2-CG1 4.34Å; T590-I594 WeakPolarHBondContact O-CB 3.39Å; T590-I594 VanDerWaalsContact O-CG1 3.31Å; T590-I594 WeakPolarHBondContact O-CG1 3.47Å; T590-I594 PolarHBondContact O-N 3.42Å; T590-I610 HydrophobicContact CG2-CD1 4.4Å; T590-I690 HydrophobicContact CG2-CG1 4.19Å; T590-L693 HydrophobicContact CG2-CD2 3.65Å
591	Q	88.3	Confident	85.7	Confident	22 Å²	22	60.4 Å²	60.4	10%	0.103	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-42.3	174.9	-70.9	-60	-40.4	0	0	112.1	Y587 N588 M593 I594 N595 K607	Y587-Q591 HydrophobicContact CD1-CG 3.92Å; Y587-Q591 HydrophobicContact CE1-CG 3.54Å; Y587-Q591 HydrophobicContact CE2-CG 4.47Å; Y587-Q591 WeakPolarHBondContact O-CG 3.4Å; Y587-Q591 PolarHBondContact O-N 2.95Å; Y587-Q591 PolarHBondContact OH-NE2 2.95Å; N588-Q591 PolarHBondContact O-N 2.95Å; Q591-M593 VanDerWaalsContact C-N 3.33Å; Q591-M593 PolarHBondContact O-N 3.19Å; Q591-I594 PolarHBondContact O-N 3.42Å; Q591-N595 VanDerWaalsContact O-CG 3.25Å; Q591-N595 PolarHBondContact O-N 3.16Å; Q591-N595 PolarHBondContact O-ND2 3.08Å; Q591-K607 VanDerWaalsContact OE1-CE 3.29Å
592	K	81.7	Confident	86	Confident	71 Å²	71	56.9 Å²	56.9	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-43	173.4	-77.1	-178.5	175.6	-177.6	0	111.7	E550 N588 A589 T590 N595 R596	E550-K592 IonicContact OE1-NZ 2.97Å; E550-K592 PolarHBondContact OE1-NZ 3.37Å; N588-K592 WeakPolarHBondContact O-CB 3.17Å; N588-K592 WeakPolarHBondContact O-CG 3.45Å; N588-K592 PolarHBondContact O-N 3.2Å; A589-K592 PolarHBondContact O-N 2.89Å; T590-K592 PolarHBondContact O-N 3.11Å; K592-N595 PolarHBondContact O-N 3.01Å; K592-R596 PolarHBondContact O-N 3.42Å
593	M	85.8	Confident	86.1	Confident	6 Å²	6	53.7 Å²	53.7	3%	0.03	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-46.6	175.1	-179.1	-172.6	78.8	0	0	111.6	A589 T590 Q591 N595 R596 M597 E686 R689 I690	A589-M593 WeakPolarHBondContact O-CB 3.44Å; A589-M593 PolarHBondContact O-N 2.95Å; T590-M593 HydrophobicContact CG2-CE 4.18Å; T590-M593 WeakPolarHBondContact O-CB 3.44Å; T590-M593 PolarHBondContact O-N 2.83Å; Q591-M593 VanDerWaalsContact C-N 3.33Å; Q591-M593 PolarHBondContact O-N 3.19Å; M593-N595 VanDerWaalsContact C-N 3.32Å; M593-N595 PolarHBondContact O-N 3.11Å; M593-R596 WeakPolarHBondContact O-CA 3.43Å; M593-R596 WeakPolarHBondContact O-CB 3.37Å; M593-R596 PolarHBondContact O-N 2.88Å; M593-M597 HydrophobicContact CE-SD 4.17Å; M593-M597 HydrophobicContact CG-CG 4.46Å; M593-M597 HydrophobicContact CG-SD 4.08Å; M593-M597 WeakPolarHBondContact O-CG 3.45Å; M593-M597 PolarHBondContact O-N 3.17Å; M593-E686 HydrophobicContact CE-CB 4.21Å; M593-E686 VanDerWaalsContact CE-O 3.24Å; M593-E686 WeakPolarHBondContact CE-O 3.28Å; M593-E686 HydrophobicContact CG-CB 4.46Å; M593-E686 HydrophobicContact CG-CG 4.22Å; M593-E686 HydrophobicContact SD-CB 3.82Å; M593-E686 HydrophobicContact SD-CG 3.95Å; M593-R689 HydrophobicContact CE-CB 4.07Å; M593-R689 HydrophobicContact SD-CB 4.06Å; M593-I690 HydrophobicContact CE-CD1 4.06Å; M593-I690 HydrophobicContact CE-CG1 3.46Å; M593-I690 VanDerWaalsContact CE-CG1 3.46Å
594	I	89.4	Confident	86.2	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-43.9	175.8	-72.7	173.2	0	0	0	111.2	T590 Q591 R596 M597 E598 K603 L606 K607 I610 I690	T590-I594 HydrophobicContact CG2-CD1 3.95Å; T590-I594 HydrophobicContact CG2-CG1 4.34Å; T590-I594 WeakPolarHBondContact O-CB 3.39Å; T590-I594 VanDerWaalsContact O-CG1 3.31Å; T590-I594 WeakPolarHBondContact O-CG1 3.47Å; T590-I594 PolarHBondContact O-N 3.42Å; Q591-I594 PolarHBondContact O-N 3.42Å; I594-R596 PolarHBondContact O-N 2.72Å; I594-M597 CarbonylContact O-C 3.36Å; I594-M597 PolarHBondContact O-N 3.45Å; I594-M597 VanDerWaalsContact O-N 3.15Å; I594-E598 PolarHBondContact O-N 2.91Å; I594-K603 HydrophobicContact CG2-CG 4.05Å; I594-L606 HydrophobicContact CB-CB 4.49Å; I594-L606 HydrophobicContact CD1-CB 4.42Å; I594-L606 HydrophobicContact CG1-CB 4.1Å; I594-L606 HydrophobicContact CG2-CB 3.82Å; I594-L606 HydrophobicContact CG2-CD1 4.07Å; I594-K607 HydrophobicContact CD1-CG 4.48Å; I594-K607 HydrophobicContact CG2-CG 4.41Å; I594-I610 HydrophobicContact CD1-CD1 3.97Å; I594-I610 HydrophobicContact CD1-CG1 4.48Å; I594-I690 HydrophobicContact CG1-CD1 4.47Å
595	N	83.3	Confident	86.5	Confident	73 Å²	73	55.5 Å²	55.5	39%	0.39	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-31.4	176.2	-68.7	-24.9	0	0	0	112.6	Q591 K592 M593 E598 K603	Q591-N595 VanDerWaalsContact O-CG 3.25Å; Q591-N595 PolarHBondContact O-N 3.16Å; Q591-N595 PolarHBondContact O-ND2 3.08Å; K592-N595 PolarHBondContact O-N 3.01Å; M593-N595 VanDerWaalsContact C-N 3.32Å; M593-N595 PolarHBondContact O-N 3.11Å; N595-E598 WeakPolarHBondContact O-CB 3.22Å; N595-K603 VanDerWaalsContact OD1-CE 3.23Å; N595-K603 WeakPolarHBondContact OD1-CE 3.34Å; N595-K603 PolarHBondContact OD1-NZ 2.64Å
596	R	78.8	Confident	86.9	Confident	167 Å²	167	51.8 Å²	51.8	63%	0.63	24%	0.24	S	C	*	.	H	α-helix	trans	-74.1	-40.3	173.2	-66.5	-172.9	-59.2	-134.8	2.7	111.8	K592 M593 I594 E598	K592-R596 PolarHBondContact O-N 3.42Å; M593-R596 WeakPolarHBondContact O-CA 3.43Å; M593-R596 WeakPolarHBondContact O-CB 3.37Å; M593-R596 PolarHBondContact O-N 2.88Å; I594-R596 PolarHBondContact O-N 2.72Å; R596-E598 PolarHBondContact O-N 2.75Å
597	M	85.4	Confident	87.1	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-17.6	178	-66.7	175.1	78.5	0	0	113.2	M593 I594 R599 R600 Y601 L606 F681 E686 I690	M593-M597 HydrophobicContact CE-SD 4.17Å; M593-M597 HydrophobicContact CG-CG 4.46Å; M593-M597 HydrophobicContact CG-SD 4.08Å; M593-M597 WeakPolarHBondContact O-CG 3.45Å; M593-M597 PolarHBondContact O-N 3.17Å; I594-M597 CarbonylContact O-C 3.36Å; I594-M597 PolarHBondContact O-N 3.45Å; I594-M597 VanDerWaalsContact O-N 3.15Å; M597-R599 PolarHBondContact O-N 2.76Å; M597-R600 PolarHBondContact O-N 2.91Å; M597-Y601 HydrophobicContact CE-CD2 4.29Å; M597-Y601 PolarHBondContact O-N 2.76Å; M597-L606 HydrophobicContact CB-CD1 3.43Å; M597-L606 VanDerWaalsContact CB-CD1 3.43Å; M597-L606 HydrophobicContact CE-CD2 3.68Å; M597-L606 HydrophobicContact SD-CD1 4.38Å; M597-L606 HydrophobicContact SD-CD2 4.32Å; M597-F681 HydrophobicContact CE-CE2 3.79Å; M597-F681 HydrophobicContact CE-CZ 4.46Å; M597-E686 HydrophobicContact CE-CB 3.9Å; M597-E686 WeakPolarHBondContact CE-OE2 3.5Å; M597-E686 WeakPolarHBondContact CG-OE1 3.44Å; M597-E686 WeakPolarHBondContact CG-OE2 3.28Å; M597-E686 HydrophobicContact SD-CB 3.76Å; M597-E686 HydrophobicContact SD-CG 4.24Å; M597-I690 HydrophobicContact SD-CD1 4.39Å
598	E	85.2	Confident	87.2	Confident	101 Å²	101	52.5 Å²	52.5	47%	0.472	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23	177.5	-172.5	166.6	-156.6	0	0	113.7	I594 N595 R596 R600 Y601 K603	I594-E598 PolarHBondContact O-N 2.91Å; N595-E598 WeakPolarHBondContact O-CB 3.22Å; R596-E598 PolarHBondContact O-N 2.75Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 2.97Å; E598-Y601 CarbonylContact C-O 3.53Å; E598-Y601 VanDerWaalsContact CA-O 3.25Å; E598-Y601 WeakPolarHBondContact CA-O 3.45Å; E598-K603 HydrophobicContact CG-CB 4.03Å
599	R	78.7	Confident	87.6	Confident	228 Å²	228	50.7 Å²	50.7	86%	0.86	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.3	174.2	-64.5	-178.7	179.7	174.2	0.8	114.1	M597	M597-R599 PolarHBondContact O-N 2.76Å
600	R	81.3	Confident	88.1	Confident	99 Å²	99	48.5 Å²	48.5	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-33.1	-175.5	-65.9	-172.7	-67.3	-169.2	-1.3	112.4	K208 M597 E598 Y675 E686	K208-R600 PolarHBondContact O-NH1 2.9Å; M597-R600 PolarHBondContact O-N 2.91Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 2.97Å; R600-Y675 VanDerWaalsContact O-CD1 3.3Å; R600-Y675 WeakPolarHBondContact O-CD1 3.35Å; R600-Y675 WeakPolarHBondContact O-CE1 3.38Å; R600-E686 IonicContact NH2-OE1 3.48Å; R600-E686 IonicContact NH2-OE2 3.38Å; R600-E686 PolarHBondContact NH2-OE2 3.14Å
601	Y	89.3	Confident	88.2	Confident	30 Å²	30	51.8 Å²	51.8	12%	0.118	23%	0.227	C	C	.	.	S	Bend	trans	-134.4	143.5	-172.5	-65.8	-74.9	0	0	0	110.4	M597 E598 K603 M605 L606 Y675 P676 L677 F681	M597-Y601 HydrophobicContact CE-CD2 4.29Å; M597-Y601 PolarHBondContact O-N 2.76Å; E598-Y601 CarbonylContact C-O 3.53Å; E598-Y601 VanDerWaalsContact CA-O 3.25Å; E598-Y601 WeakPolarHBondContact CA-O 3.45Å; Y601-K603 PolarHBondContact O-N 2.94Å; Y601-M605 HydrophobicContact CD1-CE 3.6Å; Y601-M605 HydrophobicContact CG-CE 4.08Å; Y601-L606 HydrophobicContact CG-CD2 4.38Å; Y601-Y675 HydrophobicContact CD1-CD1 4.13Å; Y601-Y675 HydrophobicContact CD1-CG 4.45Å; Y601-P676 WeakPolarHBondContact CE1-O 3.18Å; Y601-P676 PolarHBondContact OH-O 3.32Å; Y601-L677 HydrophobicContact CD1-CD2 4.41Å; Y601-L677 HydrophobicContact CE1-CD2 4.05Å; Y601-F681 HydrophobicContact CD2-CE2 4.17Å; Y601-F681 HydrophobicContact CE1-CD2 4.27Å; Y601-F681 HydrophobicContact CE1-CE2 4.38Å; Y601-F681 AromaticContact CE2-CD2 3.73Å; Y601-F681 HydrophobicContact CE2-CD2 3.73Å; Y601-F681 AromaticContact CE2-CE2 3.83Å; Y601-F681 HydrophobicContact CE2-CE2 3.83Å; Y601-F681 AromaticContact CZ-CD2 3.57Å; Y601-F681 AromaticContact CZ-CE2 3.93Å; Y601-F681 WeakPolarHBondContact OH-CD2 3.41Å
602	P	90.8	Very high	88.4	Confident	22 Å²	22	51.6 Å²	51.6	14%	0.143	23%	0.226	C	C	.	.			trans	-62.5	132.3	179.1	-23.2	35	0	0	0	111.4	A604 M605 L606 W647 Y675	P602-A604 PolarHBondContact O-N 2.65Å; P602-M605 HydrophobicContact CB-CB 4.35Å; P602-M605 WeakPolarHBondContact O-CB 3.39Å; P602-M605 PolarHBondContact O-N 3.1Å; P602-M605 VanDerWaalsContact O-N 3.11Å; P602-L606 PolarHBondContact O-N 3.39Å; P602-L606 VanDerWaalsContact O-N 3.13Å; P602-W647 HydrophobicContact CB-CH2 3.65Å; P602-W647 HydrophobicContact CB-CZ3 4.37Å; P602-W647 HydrophobicContact CG-CH2 3.91Å; P602-W647 HydrophobicContact CG-CZ3 4.21Å; P602-Y675 HydrophobicContact CG-CD1 4.34Å; P602-Y675 HydrophobicContact CG-CD2 3.71Å; P602-Y675 HydrophobicContact CG-CE1 3.98Å; P602-Y675 HydrophobicContact CG-CE2 3.28Å; P602-Y675 HydrophobicContact CG-CG 4.21Å; P602-Y675 VanDerWaalsContact CG-CZ 3.43Å
603	K	91	Very high	88.9	Confident	66 Å²	66	51.9 Å²	51.9	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-56.8	-36	179.1	179.7	166.2	174.2	169.7	0	113.6	I594 N595 E598 Y601 L606 K607	I594-K603 HydrophobicContact CG2-CG 4.05Å; N595-K603 VanDerWaalsContact OD1-CE 3.23Å; N595-K603 WeakPolarHBondContact OD1-CE 3.34Å; N595-K603 PolarHBondContact OD1-NZ 2.64Å; E598-K603 HydrophobicContact CG-CB 4.03Å; Y601-K603 PolarHBondContact O-N 2.94Å; K603-L606 PolarHBondContact O-N 3.33Å; K603-K607 WeakPolarHBondContact O-CB 3.49Å; K603-K607 WeakPolarHBondContact O-CG 3.47Å; K603-K607 PolarHBondContact O-N 2.77Å
604	A	91.7	Very high	89.3	Confident	50 Å²	50	53.7 Å²	53.7	41%	0.413	25%	0.247	S	C	.	.	H	α-helix	trans	-59.9	-48	176.5	0	0	0	0	0	111.8	P602 K607 E608 W647	P602-A604 PolarHBondContact O-N 2.65Å; A604-K607 PolarHBondContact O-N 3.47Å; A604-E608 PolarHBondContact O-N 3.35Å; A604-E608 VanDerWaalsContact O-N 3.15Å; A604-W647 HydrophobicContact CB-CZ2 4.1Å
605	M	94	Very high	89.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-48.8	176.7	-175.1	-173.1	75.1	0	0	111.5	Y601 P602 K607 E608 L609 L633 L637 W647 V664 L677	Y601-M605 HydrophobicContact CD1-CE 3.6Å; Y601-M605 HydrophobicContact CG-CE 4.08Å; P602-M605 HydrophobicContact CB-CB 4.35Å; P602-M605 WeakPolarHBondContact O-CB 3.39Å; P602-M605 PolarHBondContact O-N 3.1Å; P602-M605 VanDerWaalsContact O-N 3.11Å; M605-K607 VanDerWaalsContact C-N 3.35Å; M605-K607 PolarHBondContact O-N 3.38Å; M605-E608 PolarHBondContact O-N 3.04Å; M605-E608 VanDerWaalsContact O-N 3.12Å; M605-L609 WeakPolarHBondContact O-CG 3.38Å; M605-L609 PolarHBondContact O-N 2.79Å; M605-L609 VanDerWaalsContact O-N 3.09Å; M605-L633 HydrophobicContact CG-CD2 4.47Å; M605-L637 HydrophobicContact CB-CD1 4.31Å; M605-L637 HydrophobicContact CG-CD1 4.18Å; M605-W647 HydrophobicContact CB-CH2 4.22Å; M605-W647 HydrophobicContact CB-CZ3 4.11Å; M605-V664 HydrophobicContact SD-CB 3.68Å; M605-V664 HydrophobicContact SD-CG1 3.77Å; M605-V664 HydrophobicContact SD-CG2 3.81Å; M605-L677 HydrophobicContact CE-CD2 3.84Å; M605-L677 HydrophobicContact SD-CD2 4.39Å
606	L	93.6	Very high	90	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63	-38.2	-178.7	-66.3	174.6	0	0	0	113.3	I594 M597 Y601 P602 K603 E608 L609 F681 I690	I594-L606 HydrophobicContact CB-CB 4.49Å; I594-L606 HydrophobicContact CD1-CB 4.42Å; I594-L606 HydrophobicContact CG1-CB 4.1Å; I594-L606 HydrophobicContact CG2-CB 3.82Å; I594-L606 HydrophobicContact CG2-CD1 4.07Å; M597-L606 HydrophobicContact CB-CD1 3.43Å; M597-L606 VanDerWaalsContact CB-CD1 3.43Å; M597-L606 HydrophobicContact CE-CD2 3.68Å; M597-L606 HydrophobicContact SD-CD1 4.38Å; M597-L606 HydrophobicContact SD-CD2 4.32Å; Y601-L606 HydrophobicContact CG-CD2 4.38Å; P602-L606 PolarHBondContact O-N 3.39Å; P602-L606 VanDerWaalsContact O-N 3.13Å; K603-L606 PolarHBondContact O-N 3.33Å; L606-E608 VanDerWaalsContact C-N 3.31Å; L606-L609 HydrophobicContact CD2-CD1 4.22Å; L606-F681 HydrophobicContact CD2-CZ 4.44Å; L606-I690 HydrophobicContact CD2-CD1 4.37Å
607	K	92.1	Very high	90.6	Very high	57 Å²	57	50.6 Å²	50.6	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-38.2	174.2	-80.8	-168.5	167.1	-158.6	0	111.5	Q591 I594 K603 A604 M605 I610 E720	Q591-K607 VanDerWaalsContact OE1-CE 3.29Å; I594-K607 HydrophobicContact CD1-CG 4.48Å; I594-K607 HydrophobicContact CG2-CG 4.41Å; K603-K607 WeakPolarHBondContact O-CB 3.49Å; K603-K607 WeakPolarHBondContact O-CG 3.47Å; K603-K607 PolarHBondContact O-N 2.77Å; A604-K607 PolarHBondContact O-N 3.47Å; M605-K607 VanDerWaalsContact C-N 3.35Å; M605-K607 PolarHBondContact O-N 3.38Å; K607-I610 WeakPolarHBondContact O-CB 3.49Å; K607-I610 WeakPolarHBondContact O-CG1 3.21Å; K607-I610 PolarHBondContact O-N 3.23Å; K607-E720 IonicContact NZ-OE1 4Å; K607-E720 PolarHBondContact NZ-OE1 3.03Å
608	E	93.2	Very high	90.9	Very high	13 Å²	13	54 Å²	54	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-71.9	-30.9	-178.7	-162.4	54	-133	0	0	113	A604 M605 L606 I610 Y611 Q612 L633 E636 L637 K640	A604-E608 PolarHBondContact O-N 3.35Å; A604-E608 VanDerWaalsContact O-N 3.15Å; M605-E608 PolarHBondContact O-N 3.04Å; M605-E608 VanDerWaalsContact O-N 3.12Å; L606-E608 VanDerWaalsContact C-N 3.31Å; E608-I610 PolarHBondContact O-N 2.87Å; E608-Y611 PolarHBondContact O-N 3.23Å; E608-Q612 PolarHBondContact O-N 3.42Å; E608-L633 HydrophobicContact CB-CD1 3.89Å; E608-L633 HydrophobicContact CG-CD1 3.81Å; E608-E636 VanDerWaalsContact CD-CG 3.45Å; E608-E636 HydrophobicContact CG-CB 4.3Å; E608-E636 HydrophobicContact CG-CG 3.96Å; E608-E636 WeakPolarHBondContact OE1-CG 3.41Å; E608-L637 HydrophobicContact CB-CD2 3.79Å; E608-L637 HydrophobicContact CB-CG 4.36Å; E608-L637 HydrophobicContact CG-CD2 4.19Å; E608-L637 HydrophobicContact CG-CG 4.34Å; E608-K640 IonicContact OE1-NZ 3.01Å; E608-K640 PolarHBondContact OE1-NZ 3.37Å; E608-K640 VanDerWaalsContact OE2-CD 3.27Å; E608-K640 WeakPolarHBondContact OE2-CD 3.15Å; E608-K640 IonicContact OE2-NZ 2.59Å; E608-K640 PolarHBondContact OE2-NZ 2.98Å
609	L	94.2	Very high	91.3	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.9	175	-70.8	177.1	0	0	0	113.6	M605 L606 Y611 Q612 W629 L633 F681 Y687 I690	M605-L609 WeakPolarHBondContact O-CG 3.38Å; M605-L609 PolarHBondContact O-N 2.79Å; M605-L609 VanDerWaalsContact O-N 3.09Å; L606-L609 HydrophobicContact CD2-CD1 4.22Å; L609-Y611 PolarHBondContact O-N 2.77Å; L609-Q612 PolarHBondContact O-N 3.21Å; L609-W629 HydrophobicContact CD2-CH2 3.5Å; L609-W629 VanDerWaalsContact CD2-CH2 3.5Å; L609-W629 HydrophobicContact CD2-CZ2 3.78Å; L609-L633 HydrophobicContact CD2-CD1 4.21Å; L609-L633 HydrophobicContact CD2-CD2 3.71Å; L609-F681 HydrophobicContact CD1-CE1 4.15Å; L609-F681 HydrophobicContact CD1-CZ 3.82Å; L609-Y687 HydrophobicContact CD1-CD2 4.44Å; L609-Y687 HydrophobicContact CD1-CE2 4.46Å; L609-I690 HydrophobicContact CB-CG2 3.72Å
610	I	93	Very high	92	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.2	174.4	-60.9	172.2	0	0	0	110.4	T590 I594 K607 E608 I690 L693 G694 L697 R698	T590-I610 HydrophobicContact CG2-CD1 4.4Å; I594-I610 HydrophobicContact CD1-CD1 3.97Å; I594-I610 HydrophobicContact CD1-CG1 4.48Å; K607-I610 WeakPolarHBondContact O-CB 3.49Å; K607-I610 WeakPolarHBondContact O-CG1 3.21Å; K607-I610 PolarHBondContact O-N 3.23Å; E608-I610 PolarHBondContact O-N 2.87Å; I610-I690 HydrophobicContact CG1-CG2 3.9Å; I610-L693 HydrophobicContact CD1-CD2 4.23Å; I610-L693 HydrophobicContact CG2-CD2 4.4Å; I610-L693 HydrophobicContact CG2-CG 4.37Å; I610-G694 WeakPolarHBondContact O-CA 2.94Å; I610-L697 HydrophobicContact CG2-CD1 3.97Å; I610-R698 PolarHBondContact O-NH1 3.01Å
611	Y	91.5	Very high	92.5	Very high	77 Å²	77	39.8 Å²	39.8	30%	0.302	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.6	-173.7	-56.8	-73.7	0	0	0	113.5	E608 L609 R698	E608-Y611 PolarHBondContact O-N 3.23Å; L609-Y611 PolarHBondContact O-N 2.77Å; Y611-R698 WeakPolarHBondContact O-CD 3.46Å
612	Q	92.6	Very high	92.7	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.084	24%	0.238	C	C	.	.	S	Bend	trans	-85.3	151.2	174.8	-63	-54.7	-43.1	0	0	112.2	E608 L609 W629 L633 R698	E608-Q612 PolarHBondContact O-N 3.42Å; L609-Q612 PolarHBondContact O-N 3.21Å; Q612-W629 HydrophobicContact CB-CZ2 4.35Å; Q612-L633 HydrophobicContact CG-CB 4.2Å; Q612-L633 HydrophobicContact CG-CD1 3.84Å; Q612-R698 PolarHBondContact O-NH1 3.08Å
613	P	92.4	Very high	92.9	Very high	78 Å²	78	44.9 Å²	44.9	51%	0.506	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-55.2	151.3	167.4	-22.5	33.5	0	0	0	111.6	L615 W629	P613-L615 PolarHBondContact O-N 2.87Å; P613-W629 PolarHBondContact O-NE1 2.62Å
614	T	93.9	Very high	93.1	Very high	44 Å²	44	48.5 Å²	48.5	27%	0.27	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.4	125.4	175.8	-56.6	0	0	0	0	109.8	T616 C691	T614-T616 HydrophobicContact CG2-CG2 4.26Å; T614-C691 HydrophobicContact CG2-CB 4.04Å; T614-C691 WeakPolarHBondContact OG1-CB 3.15Å
615	L	94.5	Very high	93.3	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-89.3	117.9	168.2	-171.8	69.4	0	0	0	107.9	P613 D619 L620 W629 P662 I682 Y687	P613-L615 PolarHBondContact O-N 2.87Å; L615-D619 HydrophobicContact CD1-CB 3.63Å; L615-D619 HydrophobicContact CG-CB 4.37Å; L615-L620 HydrophobicContact CD2-CD2 3.88Å; L615-L620 HydrophobicContact CG-CD2 4.32Å; L615-W629 HydrophobicContact CB-CD2 4.09Å; L615-W629 HydrophobicContact CB-CG 4.32Å; L615-W629 HydrophobicContact CB-CZ2 4.23Å; L615-W629 HydrophobicContact CD1-CB 4.15Å; L615-W629 HydrophobicContact CD1-CD2 4.34Å; L615-W629 HydrophobicContact CD1-CG 3.98Å; L615-W629 HydrophobicContact CD2-CD2 4.07Å; L615-W629 HydrophobicContact CD2-CE3 3.92Å; L615-W629 HydrophobicContact CD2-CZ3 4.26Å; L615-W629 HydrophobicContact CG-CD2 4.41Å; L615-P662 HydrophobicContact CD2-CG 3.97Å; L615-I682 HydrophobicContact CB-CD1 4.32Å; L615-I682 HydrophobicContact CD2-CD1 3.92Å; L615-I682 HydrophobicContact CG-CD1 4.46Å; L615-I682 WeakPolarHBondContact O-CG2 3.2Å; L615-Y687 WeakPolarHBondContact CB-OH 3.43Å; L615-Y687 PolarHBondContact N-OH 2.94Å; L615-Y687 WeakPolarHBondContact O-CE1 3.37Å
616	T	93.2	Very high	93.4	Very high	62 Å²	62	47.7 Å²	47.7	38%	0.38	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-93.8	162.7	-176.9	70.3	0	0	0	0	111.8	T614 A618 D619 L620	T614-T616 HydrophobicContact CG2-CG2 4.26Å; T616-A618 PolarHBondContact O-N 3.31Å; T616-D619 WeakPolarHBondContact CA-OD2 3.32Å; T616-D619 WeakPolarHBondContact CB-OD2 3.44Å; T616-D619 PolarHBondContact N-OD2 2.92Å; T616-D619 WeakPolarHBondContact O-CB 3.26Å; T616-D619 PolarHBondContact O-N 3.01Å; T616-D619 PolarHBondContact OG1-N 3.3Å; T616-D619 PolarHBondContact OG1-OD2 2.82Å; T616-L620 PolarHBondContact O-N 3.1Å
617	E	91.4	Very high	93.5	Very high	110 Å²	110	50 Å²	50	51%	0.514	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-35	173.7	-177.7	176.6	-168.6	0	0	112.3	D619 L620 H679 T683	E617-D619 VanDerWaalsContact C-N 3.32Å; E617-D619 PolarHBondContact O-N 3.45Å; E617-L620 WeakPolarHBondContact O-CB 3.41Å; E617-L620 PolarHBondContact O-N 3.36Å; E617-H679 IonicContact OE1-CD2 3.57Å; E617-H679 IonicContact OE1-CE1 3.83Å; E617-H679 IonicContact OE1-NE2 3.68Å; E617-H679 PolarHBondContact OE1-NE2 2.87Å; E617-T683 HydrophobicContact CB-CG2 4.2Å; E617-T683 HydrophobicContact CG-CG2 4.2Å
618	A	91.9	Very high	93.7	Very high	71 Å²	71	55 Å²	55	59%	0.587	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.8	176.7	0	0	0	0	0	112.3	T616 L620 S621	T616-A618 PolarHBondContact O-N 3.31Å; A618-L620 PolarHBondContact O-N 3.34Å; A618-S621 WeakPolarHBondContact O-CB 3.5Å; A618-S621 PolarHBondContact O-N 2.82Å; A618-S621 PolarHBondContact O-OG 3.38Å
619	D	93.4	Very high	93.8	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.5	-26.3	-179.8	-60.6	-47.7	0	0	0	112.2	L615 T616 E617 S621 D622 T625	L615-D619 HydrophobicContact CD1-CB 3.63Å; L615-D619 HydrophobicContact CG-CB 4.37Å; T616-D619 WeakPolarHBondContact CA-OD2 3.32Å; T616-D619 WeakPolarHBondContact CB-OD2 3.44Å; T616-D619 PolarHBondContact N-OD2 2.92Å; T616-D619 WeakPolarHBondContact O-CB 3.26Å; T616-D619 PolarHBondContact O-N 3.01Å; T616-D619 PolarHBondContact OG1-N 3.3Å; T616-D619 PolarHBondContact OG1-OD2 2.82Å; E617-D619 VanDerWaalsContact C-N 3.32Å; E617-D619 PolarHBondContact O-N 3.45Å; D619-S621 PolarHBondContact O-N 3.21Å; D619-S621 VanDerWaalsContact O-N 3.09Å; D619-D622 PolarHBondContact O-N 3.43Å; D619-T625 HydrophobicContact CB-CG2 3.99Å
620	L	93.4	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64	-12.4	176.3	-59.3	179.9	0	0	0	112.9	L615 T616 E617 A618 D622 V626 L659 F660 H679 I682	L615-L620 HydrophobicContact CD2-CD2 3.88Å; L615-L620 HydrophobicContact CG-CD2 4.32Å; T616-L620 PolarHBondContact O-N 3.1Å; E617-L620 WeakPolarHBondContact O-CB 3.41Å; E617-L620 PolarHBondContact O-N 3.36Å; A618-L620 PolarHBondContact O-N 3.34Å; L620-D622 VanDerWaalsContact C-N 3.32Å; L620-V626 HydrophobicContact CD2-CG2 4.23Å; L620-L659 HydrophobicContact CB-CB 4.22Å; L620-L659 HydrophobicContact CB-CD1 4.48Å; L620-L659 HydrophobicContact CB-CD2 4Å; L620-L659 HydrophobicContact CB-CG 4.46Å; L620-L659 HydrophobicContact CD1-CD1 4.37Å; L620-L659 CarbonylContact O-C 3.52Å; L620-L659 WeakPolarHBondContact O-CA 3.27Å; L620-F660 WeakPolarHBondContact CD2-O 3.37Å; L620-F660 PolarHBondContact O-N 3.14Å; L620-H679 HydrophobicContact CD1-CB 4.49Å; L620-I682 HydrophobicContact CD1-CB 4.22Å; L620-I682 HydrophobicContact CD1-CG1 4.38Å; L620-I682 HydrophobicContact CD1-CG2 4.16Å; L620-I682 HydrophobicContact CD2-CG1 4.35Å
621	S	92.5	Very high	94.1	Very high	81 Å²	81	59.3 Å²	59.3	57%	0.566	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-81	-9	173.8	68.6	0	0	0	0	114.2	A618 D619	A618-S621 WeakPolarHBondContact O-CB 3.5Å; A618-S621 PolarHBondContact O-N 2.82Å; A618-S621 PolarHBondContact O-OG 3.38Å; D619-S621 PolarHBondContact O-N 3.21Å; D619-S621 VanDerWaalsContact O-N 3.09Å
622	D	93.3	Very high	94.3	Very high	62 Å²	62	57.9 Å²	57.9	33%	0.332	32%	0.318	S	S	.	.			trans	-122.9	105.3	-178.9	174.6	26.4	0	0	0	112.2	D619 L620 Q624 T625 V626	D619-D622 PolarHBondContact O-N 3.43Å; L620-D622 VanDerWaalsContact C-N 3.32Å; D622-Q624 PolarHBondContact O-N 2.97Å; D622-Q624 VanDerWaalsContact O-N 3.17Å; D622-Q624 PolarHBondContact OD1-N 2.96Å; D622-Q624 VanDerWaalsContact OD1-N 3.13Å; D622-T625 PolarHBondContact O-N 3.26Å; D622-T625 VanDerWaalsContact O-N 3.08Å; D622-T625 VanDerWaalsContact OD2-CB 3.23Å; D622-T625 WeakPolarHBondContact OD2-CB 3.36Å; D622-T625 PolarHBondContact OD2-N 2.65Å; D622-T625 PolarHBondContact OD2-OG1 2.69Å; D622-V626 PolarHBondContact O-N 3.01Å; D622-V626 VanDerWaalsContact O-N 3.07Å
623	E	94.7	Very high	94.4	Very high	97 Å²	97	57 Å²	57	45%	0.453	31%	0.314	S	S	.	.	H	α-helix	trans	-52.6	-38.1	178.8	-167.9	-177.1	177	0	0	112.9	V626 T627 V651 F660	E623-V626 PolarHBondContact O-N 3.4Å; E623-T627 VanDerWaalsContact O-CB 3.28Å; E623-T627 WeakPolarHBondContact O-CB 3.49Å; E623-T627 PolarHBondContact O-N 3Å; E623-T627 PolarHBondContact O-OG1 3.34Å; E623-V651 HydrophobicContact CG-CG1 4.35Å; E623-F660 HydrophobicContact CB-CB 4.48Å; E623-F660 HydrophobicContact CB-CD1 3.71Å; E623-F660 HydrophobicContact CB-CD2 3.85Å; E623-F660 HydrophobicContact CB-CE1 3.78Å; E623-F660 HydrophobicContact CB-CE2 3.92Å; E623-F660 HydrophobicContact CB-CG 3.74Å; E623-F660 HydrophobicContact CB-CZ 3.88Å; E623-F660 HydrophobicContact CG-CD1 3.75Å; E623-F660 HydrophobicContact CG-CE1 3.98Å; E623-F660 HydrophobicContact CG-CG 4.15Å; E623-F660 VanDerWaalsContact N-CD2 3.29Å
624	Q	95	Very high	94.6	Very high	142 Å²	142	53.7 Å²	53.7	66%	0.664	29%	0.292	S	S	*	.	H	α-helix	trans	-70.9	-35.2	-178.1	-66.8	-173.2	8.3	0	0	112	D622 R628	D622-Q624 PolarHBondContact O-N 2.97Å; D622-Q624 VanDerWaalsContact O-N 3.17Å; D622-Q624 PolarHBondContact OD1-N 2.96Å; D622-Q624 VanDerWaalsContact OD1-N 3.13Å; Q624-R628 WeakPolarHBondContact O-CB 3.42Å; Q624-R628 VanDerWaalsContact O-CG 3.25Å; Q624-R628 WeakPolarHBondContact O-CG 3.47Å; Q624-R628 PolarHBondContact O-N 2.93Å; Q624-R628 VanDerWaalsContact O-N 3.11Å; Q624-R628 PolarHBondContact O-NE 2.91Å; Q624-R628 VanDerWaalsContact O-NE 3.16Å
625	T	95	Very high	94.7	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-45.1	175.6	-67.9	0	0	0	0	110.6	D619 D622 T627 R628 W629	D619-T625 HydrophobicContact CB-CG2 3.99Å; D622-T625 PolarHBondContact O-N 3.26Å; D622-T625 VanDerWaalsContact O-N 3.08Å; D622-T625 VanDerWaalsContact OD2-CB 3.23Å; D622-T625 WeakPolarHBondContact OD2-CB 3.36Å; D622-T625 PolarHBondContact OD2-N 2.65Å; D622-T625 PolarHBondContact OD2-OG1 2.69Å; T625-T627 PolarHBondContact O-N 2.95Å; T625-R628 PolarHBondContact O-N 3.42Å; T625-R628 PolarHBondContact OG1-NH2 3.46Å; T625-W629 WeakPolarHBondContact O-CB 3.08Å; T625-W629 PolarHBondContact O-N 3.17Å
626	V	95.6	Very high	94.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.2	-47.9	175.5	176.7	0	0	0	0	111.5	L620 D622 E623 R628 W629 V630 V651 F660 P662	L620-V626 HydrophobicContact CD2-CG2 4.23Å; D622-V626 PolarHBondContact O-N 3.01Å; D622-V626 VanDerWaalsContact O-N 3.07Å; E623-V626 PolarHBondContact O-N 3.4Å; V626-R628 PolarHBondContact O-N 2.93Å; V626-W629 PolarHBondContact O-N 3.45Å; V626-V630 WeakPolarHBondContact O-CG1 3.36Å; V626-V630 PolarHBondContact O-N 2.99Å; V626-V651 HydrophobicContact CG1-CG1 4.02Å; V626-V651 HydrophobicContact CG1-CG2 4.2Å; V626-F660 HydrophobicContact CB-CB 4.49Å; V626-F660 HydrophobicContact CG2-CB 4.22Å; V626-P662 HydrophobicContact CG1-CB 4Å; V626-P662 HydrophobicContact CG1-CG 3.92Å
627	T	96.5	Very high	94.6	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-45.1	179.6	-57.1	0	0	0	0	111.5	E623 T625 W629 V630 N631 F649	E623-T627 VanDerWaalsContact O-CB 3.28Å; E623-T627 WeakPolarHBondContact O-CB 3.49Å; E623-T627 PolarHBondContact O-N 3Å; E623-T627 PolarHBondContact O-OG1 3.34Å; T625-T627 PolarHBondContact O-N 2.95Å; T627-W629 VanDerWaalsContact C-N 3.34Å; T627-W629 PolarHBondContact O-N 2.96Å; T627-V630 WeakPolarHBondContact O-CG1 3.45Å; T627-N631 WeakPolarHBondContact O-CB 3.46Å; T627-N631 PolarHBondContact O-N 2.84Å; T627-F649 HydrophobicContact CG2-CE2 4.07Å; T627-F649 HydrophobicContact CG2-CZ 4.38Å
628	R	96	Very high	94.8	Very high	162 Å²	162	52.4 Å²	52.4	61%	0.611	29%	0.287	S	S	*	.	H	α-helix	trans	-62.9	-42.5	177.6	-76.8	-178.2	-64.7	161.1	0.7	111.8	Q624 T625 V626 A632	Q624-R628 WeakPolarHBondContact O-CB 3.42Å; Q624-R628 VanDerWaalsContact O-CG 3.25Å; Q624-R628 WeakPolarHBondContact O-CG 3.47Å; Q624-R628 PolarHBondContact O-N 2.93Å; Q624-R628 VanDerWaalsContact O-N 3.11Å; Q624-R628 PolarHBondContact O-NE 2.91Å; Q624-R628 VanDerWaalsContact O-NE 3.16Å; T625-R628 PolarHBondContact O-N 3.42Å; T625-R628 PolarHBondContact OG1-NH2 3.46Å; V626-R628 PolarHBondContact O-N 2.93Å; R628-A632 PolarHBondContact O-N 3.22Å
629	W	96.5	Very high	94.7	Very high	21 Å²	21	54.8 Å²	54.8	8%	0.08	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-50.9	-179.7	-177.1	92.2	0	0	0	111.9	L609 Q612 P613 L615 T625 V626 T627 N631 A632 L633 P662 L677	L609-W629 HydrophobicContact CD2-CH2 3.5Å; L609-W629 VanDerWaalsContact CD2-CH2 3.5Å; L609-W629 HydrophobicContact CD2-CZ2 3.78Å; Q612-W629 HydrophobicContact CB-CZ2 4.35Å; P613-W629 PolarHBondContact O-NE1 2.62Å; L615-W629 HydrophobicContact CB-CD2 4.09Å; L615-W629 HydrophobicContact CB-CG 4.32Å; L615-W629 HydrophobicContact CB-CZ2 4.23Å; L615-W629 HydrophobicContact CD1-CB 4.15Å; L615-W629 HydrophobicContact CD1-CD2 4.34Å; L615-W629 HydrophobicContact CD1-CG 3.98Å; L615-W629 HydrophobicContact CD2-CD2 4.07Å; L615-W629 HydrophobicContact CD2-CE3 3.92Å; L615-W629 HydrophobicContact CD2-CZ3 4.26Å; L615-W629 HydrophobicContact CG-CD2 4.41Å; T625-W629 WeakPolarHBondContact O-CB 3.08Å; T625-W629 PolarHBondContact O-N 3.17Å; V626-W629 PolarHBondContact O-N 3.45Å; T627-W629 VanDerWaalsContact C-N 3.34Å; T627-W629 PolarHBondContact O-N 2.96Å; W629-N631 VanDerWaalsContact C-N 3.34Å; W629-N631 PolarHBondContact O-N 3.17Å; W629-A632 PolarHBondContact O-N 3.24Å; W629-L633 HydrophobicContact CH2-CD2 3.93Å; W629-L633 HydrophobicContact CZ3-CD2 4.01Å; W629-L633 PolarHBondContact O-N 3.09Å; W629-P662 HydrophobicContact CE3-CG 4.42Å; W629-P662 HydrophobicContact CZ3-CG 4.25Å; W629-L677 HydrophobicContact CH2-CD1 4.04Å; W629-L677 HydrophobicContact CZ3-CD1 3.9Å
630	V	96.2	Very high	94.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.1	-32.2	-177.5	71.3	0	0	0	0	112.2	V626 T627 L633 V634 F649 V651 P662 V664	V626-V630 WeakPolarHBondContact O-CG1 3.36Å; V626-V630 PolarHBondContact O-N 2.99Å; T627-V630 WeakPolarHBondContact O-CG1 3.45Å; V630-L633 PolarHBondContact O-N 2.88Å; V630-V634 HydrophobicContact CG2-CG2 4.49Å; V630-V634 WeakPolarHBondContact O-CB 3.36Å; V630-V634 WeakPolarHBondContact O-CG2 3.37Å; V630-V634 PolarHBondContact O-N 3.47Å; V630-F649 HydrophobicContact CB-CB 4.38Å; V630-F649 HydrophobicContact CB-CD2 4.45Å; V630-F649 HydrophobicContact CB-CG 4.38Å; V630-F649 HydrophobicContact CG1-CB 3.99Å; V630-F649 HydrophobicContact CG1-CD1 4.29Å; V630-F649 HydrophobicContact CG1-CD2 3.26Å; V630-F649 HydrophobicContact CG1-CE2 3.71Å; V630-F649 HydrophobicContact CG1-CG 3.59Å; V630-F649 HydrophobicContact CG1-CZ 4.39Å; V630-F649 HydrophobicContact CG2-CB 3.51Å; V630-F649 HydrophobicContact CG2-CD2 4.43Å; V630-F649 HydrophobicContact CG2-CG 4.01Å; V630-V651 HydrophobicContact CG1-CG2 4.26Å; V630-P662 HydrophobicContact CB-CB 3.84Å; V630-P662 HydrophobicContact CG1-CB 4.38Å; V630-P662 HydrophobicContact CG2-CB 3.79Å; V630-V664 HydrophobicContact CG2-CG2 4.09Å
631	N	96.6	Very high	94.2	Very high	87 Å²	87	59.6 Å²	59.6	47%	0.465	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-40.7	173.4	-178.2	65.4	0	0	0	112	T627 W629 V634 S635 F649	T627-N631 WeakPolarHBondContact O-CB 3.46Å; T627-N631 PolarHBondContact O-N 2.84Å; W629-N631 VanDerWaalsContact C-N 3.34Å; W629-N631 PolarHBondContact O-N 3.17Å; N631-V634 PolarHBondContact O-N 3.44Å; N631-S635 WeakPolarHBondContact O-CB 3.22Å; N631-S635 PolarHBondContact O-N 3.16Å; N631-F649 HydrophobicContact CB-CD1 4.5Å; N631-F649 HydrophobicContact CB-CE1 3.64Å; N631-F649 HydrophobicContact CB-CZ 3.75Å; N631-F649 WeakPolarHBondContact OD1-CE1 3.31Å
632	A	95.6	Very high	93.6	Very high	46 Å²	46	63.6 Å²	63.6	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-45.6	176	0	0	0	0	0	111.6	R628 W629 S635 E636	R628-A632 PolarHBondContact O-N 3.22Å; W629-A632 PolarHBondContact O-N 3.24Å; A632-S635 PolarHBondContact O-N 2.88Å; A632-E636 PolarHBondContact O-N 3.34Å
633	L	95.4	Very high	92.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-49	175.3	173.6	61.9	0	0	0	112	M605 E608 L609 Q612 W629 V630 E636 L637 V664 L677	M605-L633 HydrophobicContact CG-CD2 4.47Å; E608-L633 HydrophobicContact CB-CD1 3.89Å; E608-L633 HydrophobicContact CG-CD1 3.81Å; L609-L633 HydrophobicContact CD2-CD1 4.21Å; L609-L633 HydrophobicContact CD2-CD2 3.71Å; Q612-L633 HydrophobicContact CG-CB 4.2Å; Q612-L633 HydrophobicContact CG-CD1 3.84Å; W629-L633 HydrophobicContact CH2-CD2 3.93Å; W629-L633 HydrophobicContact CZ3-CD2 4.01Å; W629-L633 PolarHBondContact O-N 3.09Å; V630-L633 PolarHBondContact O-N 2.88Å; L633-E636 PolarHBondContact O-N 3.23Å; L633-L637 HydrophobicContact CD1-CD1 3.94Å; L633-L637 HydrophobicContact CD1-CG 4.19Å; L633-L637 HydrophobicContact CG-CD1 3.94Å; L633-L637 VanDerWaalsContact O-CG 3.31Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 3.07Å; L633-V664 HydrophobicContact CD2-CG2 4.21Å; L633-L677 HydrophobicContact CD2-CD1 4.47Å
634	V	95.9	Very high	92.4	Very high	8 Å²	8	67 Å²	67	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-68.5	-34.2	-178.3	166.3	0	0	0	0	112.7	V630 N631 L637 N638 W647 F649 V664	V630-V634 HydrophobicContact CG2-CG2 4.49Å; V630-V634 WeakPolarHBondContact O-CB 3.36Å; V630-V634 WeakPolarHBondContact O-CG2 3.37Å; V630-V634 PolarHBondContact O-N 3.47Å; N631-V634 PolarHBondContact O-N 3.44Å; V634-L637 PolarHBondContact O-N 2.83Å; V634-N638 WeakPolarHBondContact CG1-ND2 3.34Å; V634-N638 PolarHBondContact O-N 3.36Å; V634-N638 PolarHBondContact O-ND2 3.11Å; V634-W647 HydrophobicContact CG1-CB 4.05Å; V634-W647 WeakPolarHBondContact CG1-O 3.18Å; V634-F649 HydrophobicContact CB-CD1 4.07Å; V634-F649 HydrophobicContact CG1-CD1 4.26Å; V634-F649 HydrophobicContact CG2-CB 3.92Å; V634-F649 HydrophobicContact CG2-CD1 4.08Å; V634-F649 HydrophobicContact CG2-CG 4.46Å; V634-V664 HydrophobicContact CG2-CG1 4.39Å
635	S	95.6	Very high	92.1	Very high	59 Å²	59	61.3 Å²	61.3	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-50.9	173.8	-167.8	0	0	0	0	110.3	N631 A632 L637 N638 D639	N631-S635 WeakPolarHBondContact O-CB 3.22Å; N631-S635 PolarHBondContact O-N 3.16Å; A632-S635 PolarHBondContact O-N 2.88Å; S635-L637 VanDerWaalsContact C-N 3.35Å; S635-L637 PolarHBondContact O-N 3.02Å; S635-N638 PolarHBondContact O-N 3.05Å; S635-D639 PolarHBondContact O-N 3.28Å
636	E	92.6	Very high	92	Very high	67 Å²	67	64 Å²	64	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-37.8	-178.6	-168.6	62.6	-151.9	0	0	112.4	E608 A632 L633 D639 K640	E608-E636 VanDerWaalsContact CD-CG 3.45Å; E608-E636 HydrophobicContact CG-CB 4.3Å; E608-E636 HydrophobicContact CG-CG 3.96Å; E608-E636 WeakPolarHBondContact OE1-CG 3.41Å; A632-E636 PolarHBondContact O-N 3.34Å; L633-E636 PolarHBondContact O-N 3.23Å; E636-D639 PolarHBondContact O-N 3.21Å; E636-K640 HydrophobicContact CG-CD 4.28Å; E636-K640 WeakPolarHBondContact O-CB 3.45Å; E636-K640 PolarHBondContact O-N 2.9Å; E636-K640 WeakPolarHBondContact OE1-CE 3.31Å; E636-K640 IonicContact OE1-NZ 3.68Å; E636-K640 PolarHBondContact OE1-NZ 3.39Å
637	L	94	Very high	92	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-40.7	174.3	-74	169.6	0	0	0	112.5	M605 E608 L633 V634 S635 E641 W647	M605-L637 HydrophobicContact CB-CD1 4.31Å; M605-L637 HydrophobicContact CG-CD1 4.18Å; E608-L637 HydrophobicContact CB-CD2 3.79Å; E608-L637 HydrophobicContact CB-CG 4.36Å; E608-L637 HydrophobicContact CG-CD2 4.19Å; E608-L637 HydrophobicContact CG-CG 4.34Å; L633-L637 HydrophobicContact CD1-CD1 3.94Å; L633-L637 HydrophobicContact CD1-CG 4.19Å; L633-L637 HydrophobicContact CG-CD1 3.94Å; L633-L637 VanDerWaalsContact O-CG 3.31Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 3.07Å; V634-L637 PolarHBondContact O-N 2.83Å; S635-L637 VanDerWaalsContact C-N 3.35Å; S635-L637 PolarHBondContact O-N 3.02Å; L637-E641 WeakPolarHBondContact O-CB 3.4Å; L637-E641 PolarHBondContact O-N 3Å; L637-W647 HydrophobicContact CB-CB 4.2Å; L637-W647 HydrophobicContact CB-CD2 4.04Å; L637-W647 HydrophobicContact CB-CG 3.79Å; L637-W647 HydrophobicContact CD1-CD2 4.06Å; L637-W647 HydrophobicContact CD1-CE3 3.85Å; L637-W647 HydrophobicContact CD1-CG 4.49Å; L637-W647 HydrophobicContact CD1-CZ3 4.25Å
638	N	94.4	Very high	91.9	Very high	59 Å²	59	66.3 Å²	66.3	32%	0.316	34%	0.343	S	S	.	.	H	α-helix	trans	-69.4	-37.1	175.4	-77.3	-58.9	0	0	0	112.1	V634 S635 K640 E641 W647	V634-N638 WeakPolarHBondContact CG1-ND2 3.34Å; V634-N638 PolarHBondContact O-N 3.36Å; V634-N638 PolarHBondContact O-ND2 3.11Å; S635-N638 PolarHBondContact O-N 3.05Å; N638-K640 VanDerWaalsContact C-N 3.29Å; N638-K640 PolarHBondContact O-N 3.32Å; N638-E641 WeakPolarHBondContact O-CB 3.47Å; N638-E641 PolarHBondContact O-N 3.39Å; N638-W647 PolarHBondContact ND2-O 2.98Å; N638-W647 PolarHBondContact OD1-N 3.35Å
639	D	91.6	Very high	92	Very high	122 Å²	122	61.8 Å²	61.8	65%	0.652	33%	0.328	S	S	*	.	H	α-helix	trans	-66.4	-32.3	178.5	-72	-22.3	0	0	0	112.2	S635 E636	S635-D639 PolarHBondContact O-N 3.28Å; E636-D639 PolarHBondContact O-N 3.21Å
640	K	88.2	Confident	91.9	Very high	102 Å²	102	64.9 Å²	64.9	44%	0.443	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.4	177.5	-74.6	170.5	170.1	147.4	0	114.6	E608 E636 N638	E608-K640 IonicContact OE1-NZ 3.01Å; E608-K640 PolarHBondContact OE1-NZ 3.37Å; E608-K640 VanDerWaalsContact OE2-CD 3.27Å; E608-K640 WeakPolarHBondContact OE2-CD 3.15Å; E608-K640 IonicContact OE2-NZ 2.59Å; E608-K640 PolarHBondContact OE2-NZ 2.98Å; E636-K640 HydrophobicContact CG-CD 4.28Å; E636-K640 WeakPolarHBondContact O-CB 3.45Å; E636-K640 PolarHBondContact O-N 2.9Å; E636-K640 WeakPolarHBondContact OE1-CE 3.31Å; E636-K640 IonicContact OE1-NZ 3.68Å; E636-K640 PolarHBondContact OE1-NZ 3.39Å; N638-K640 VanDerWaalsContact C-N 3.29Å; N638-K640 PolarHBondContact O-N 3.32Å
641	E	87.7	Confident	91.8	Very high	48 Å²	48	65.9 Å²	65.9	22%	0.224	35%	0.352	C	S	.	.			trans	-72	128.2	-173.9	-179.5	55.9	-131.4	0	0	112.4	L637 N638 H643 G644 S645 W647	L637-E641 WeakPolarHBondContact O-CB 3.4Å; L637-E641 PolarHBondContact O-N 3Å; N638-E641 WeakPolarHBondContact O-CB 3.47Å; N638-E641 PolarHBondContact O-N 3.39Å; E641-H643 WeakPolarHBondContact OE1-CA 3.38Å; E641-H643 PolarHBondContact OE1-N 3.27Å; E641-G644 PolarHBondContact OE1-N 3.27Å; E641-S645 VanDerWaalsContact CG-O 3.29Å; E641-S645 WeakPolarHBondContact CG-O 3.35Å; E641-S645 PolarHBondContact OE1-N 2.67Å; E641-W647 PolarHBondContact OE2-NE1 3.13Å
642	Q	80	Confident	91.7	Very high	165 Å²	165	66.4 Å²	66.4	77%	0.771	35%	0.352	S	S	*	.			trans	-121	-12	-177	-64.6	-175.5	4	0	0	114
643	H	78.2	Confident	91.5	Very high	160 Å²	160	67.6 Å²	67.6	74%	0.741	35%	0.354	S	S	*	.	S	Bend	trans	-111.8	14	-167.9	-58.7	-53	0	0	0	113.3	E641 S645	E641-H643 WeakPolarHBondContact OE1-CA 3.38Å; E641-H643 PolarHBondContact OE1-N 3.27Å; H643-S645 VanDerWaalsContact C-N 3.35Å
644	G	83.2	Confident	91	Very high	69 Å²	69	69 Å²	69	71%	0.711	36%	0.362	S	S	*	.	S	Bend	trans	78.5	17.4	174.2	0	0	0	0	0	114.2	E641	E641-G644 PolarHBondContact OE1-N 3.27Å
645	S	89.4	Confident	90.3	Very high	24 Å²	24	72.9 Å²	72.9	17%	0.168	40%	0.395	C	S	.	.			trans	-75.6	160.7	166	-54.5	0	0	0	0	110.5	E641 H643 R667 T668	E641-S645 VanDerWaalsContact CG-O 3.29Å; E641-S645 WeakPolarHBondContact CG-O 3.35Å; E641-S645 PolarHBondContact OE1-N 2.67Å; H643-S645 VanDerWaalsContact C-N 3.35Å; S645-R667 CarbonylContact C-O 3.58Å; S645-R667 VanDerWaalsContact CA-O 3.25Å; S645-R667 WeakPolarHBondContact CA-O 3.47Å; S645-T668 PolarHBondContact OG-OG1 3.34Å
646	Q	92.4	Very high	89.4	Confident	91 Å²	91	79.1 Å²	79.1	43%	0.425	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	126.9	170.5	-174.5	-179.7	26	0	0	109.4	R667	Q646-R667 HydrophobicContact CB-CB 4.34Å; Q646-R667 PolarHBondContact N-O 2.6Å; Q646-R667 PolarHBondContact O-N 3.06Å
647	W	95.5	Very high	88.6	Confident	11 Å²	11	80.2 Å²	80.2	4%	0.042	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.9	-179.5	-59.8	86.3	0	0	0	110.6	P602 A604 M605 V634 L637 N638 E641 V664 R665 V666	P602-W647 HydrophobicContact CB-CH2 3.65Å; P602-W647 HydrophobicContact CB-CZ3 4.37Å; P602-W647 HydrophobicContact CG-CH2 3.91Å; P602-W647 HydrophobicContact CG-CZ3 4.21Å; A604-W647 HydrophobicContact CB-CZ2 4.1Å; M605-W647 HydrophobicContact CB-CH2 4.22Å; M605-W647 HydrophobicContact CB-CZ3 4.11Å; V634-W647 HydrophobicContact CG1-CB 4.05Å; V634-W647 WeakPolarHBondContact CG1-O 3.18Å; L637-W647 HydrophobicContact CB-CB 4.2Å; L637-W647 HydrophobicContact CB-CD2 4.04Å; L637-W647 HydrophobicContact CB-CG 3.79Å; L637-W647 HydrophobicContact CD1-CD2 4.06Å; L637-W647 HydrophobicContact CD1-CE3 3.85Å; L637-W647 HydrophobicContact CD1-CG 4.49Å; L637-W647 HydrophobicContact CD1-CZ3 4.25Å; N638-W647 PolarHBondContact ND2-O 2.98Å; N638-W647 PolarHBondContact OD1-N 3.35Å; E641-W647 PolarHBondContact OE2-NE1 3.13Å; W647-V664 HydrophobicContact CE3-CG1 3.65Å; W647-V664 HydrophobicContact CZ3-CG1 3.91Å; W647-R665 CarbonylContact C-O 3.56Å; W647-R665 WeakPolarHBondContact CA-O 3.47Å; W647-V666 HydrophobicContact CD2-CB 4.28Å; W647-V666 HydrophobicContact CD2-CG2 3.89Å; W647-V666 HydrophobicContact CE3-CB 3.9Å; W647-V666 HydrophobicContact CE3-CG2 4Å; W647-V666 HydrophobicContact CH2-CB 4.08Å; W647-V666 HydrophobicContact CH2-CG2 3.88Å; W647-V666 HydrophobicContact CZ2-CB 4.44Å; W647-V666 HydrophobicContact CZ2-CG2 3.76Å; W647-V666 HydrophobicContact CZ3-CB 3.8Å; W647-V666 HydrophobicContact CZ3-CG2 4.01Å
648	K	96.1	Very high	88.2	Confident	85 Å²	85	85.9 Å²	85.9	37%	0.37	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	169.3	174.5	-65	-176.1	-177.6	178.5	0	108.9	R665	K648-R665 HydrophobicContact CB-CB 4.31Å; K648-R665 PolarHBondContact N-O 2.69Å; K648-R665 PolarHBondContact O-N 3.48Å
649	F	96.8	Very high	88.1	Confident	66 Å²	66	84 Å²	84	29%	0.289	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	163.3	170.3	67.1	-88.3	0	0	0	111.7	T627 V630 N631 V634 V651 I663	T627-F649 HydrophobicContact CG2-CE2 4.07Å; T627-F649 HydrophobicContact CG2-CZ 4.38Å; V630-F649 HydrophobicContact CB-CB 4.38Å; V630-F649 HydrophobicContact CB-CD2 4.45Å; V630-F649 HydrophobicContact CB-CG 4.38Å; V630-F649 HydrophobicContact CG1-CB 3.99Å; V630-F649 HydrophobicContact CG1-CD1 4.29Å; V630-F649 HydrophobicContact CG1-CD2 3.26Å; V630-F649 HydrophobicContact CG1-CE2 3.71Å; V630-F649 HydrophobicContact CG1-CG 3.59Å; V630-F649 HydrophobicContact CG1-CZ 4.39Å; V630-F649 HydrophobicContact CG2-CB 3.51Å; V630-F649 HydrophobicContact CG2-CD2 4.43Å; V630-F649 HydrophobicContact CG2-CG 4.01Å; N631-F649 HydrophobicContact CB-CD1 4.5Å; N631-F649 HydrophobicContact CB-CE1 3.64Å; N631-F649 HydrophobicContact CB-CZ 3.75Å; N631-F649 WeakPolarHBondContact OD1-CE1 3.31Å; V634-F649 HydrophobicContact CB-CD1 4.07Å; V634-F649 HydrophobicContact CG1-CD1 4.26Å; V634-F649 HydrophobicContact CG2-CB 3.92Å; V634-F649 HydrophobicContact CG2-CD1 4.08Å; V634-F649 HydrophobicContact CG2-CG 4.46Å; F649-V651 HydrophobicContact CD2-CG2 4.43Å; F649-I663 CarbonylContact C-O 3.52Å; F649-I663 WeakPolarHBondContact CA-O 3.44Å; F649-I663 WeakPolarHBondContact CB-O 3.45Å
650	D	94.7	Very high	88.2	Confident	86 Å²	86	80 Å²	80	46%	0.46	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	164.9	164.1	-151.8	-17.2	0	0	0	108.6	I663	D650-I663 HydrophobicContact CB-CB 4.31Å; D650-I663 PolarHBondContact N-O 2.72Å; D650-I663 PolarHBondContact O-N 3.07Å
651	V	95.2	Very high	88.4	Confident	22 Å²	22	76.1 Å²	76.1	13%	0.133	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114	172.9	179.8	0	0	0	0	108.1	E623 V626 V630 F649 F660	E623-V651 HydrophobicContact CG-CG1 4.35Å; V626-V651 HydrophobicContact CG1-CG1 4.02Å; V626-V651 HydrophobicContact CG1-CG2 4.2Å; V630-V651 HydrophobicContact CG1-CG2 4.26Å; F649-V651 HydrophobicContact CD2-CG2 4.43Å; V651-F660 HydrophobicContact CG1-CB 3.89Å
652	H	92.8	Very high	88.8	Confident	97 Å²	97	73.8 Å²	73.8	45%	0.449	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.5	-178.5	176.7	-98.6	0	0	0	110.8	F660 E661 I663	H652-F660 CarbonylContact O-C 3.51Å; H652-F660 WeakPolarHBondContact O-CA 3.38Å; H652-E661 PolarHBondContact N-O 3.37Å; H652-E661 IonicContact ND1-OE2 3.82Å; H652-E661 PolarHBondContact O-N 2.87Å; H652-I663 HydrophobicContact CB-CD1 3.65Å; H652-I663 HydrophobicContact CB-CG1 4.2Å
653	T	92.1	Very high	89.6	Confident	71 Å²	71	67.3 Å²	67.3	44%	0.436	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	113.5	174.6	-53.7	0	0	0	0	110.2	A655 F660	T653-A655 PolarHBondContact O-N 2.95Å; T653-F660 HydrophobicContact CG2-CE1 4.27Å
654	N	85.3	Confident	90.4	Very high	31 Å²	31	59.7 Å²	59.7	17%	0.166	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	97	170.9	-176.3	-24	0	0	0	109.6	E656 Q657 N658 L659 E661	N654-E656 VanDerWaalsContact C-N 3.29Å; N654-E656 PolarHBondContact O-N 2.89Å; N654-E656 PolarHBondContact OD1-N 2.72Å; N654-Q657 PolarHBondContact ND2-OE1 3.45Å; N654-Q657 PolarHBondContact O-N 3.39Å; N654-Q657 PolarHBondContact OD1-N 3.37Å; N654-N658 WeakPolarHBondContact O-CA 3.07Å; N654-N658 PolarHBondContact O-N 3.12Å; N654-L659 HydrophobicContact CB-CB 4.47Å; N654-L659 PolarHBondContact N-O 3.34Å; N654-L659 PolarHBondContact O-N 3.49Å; N654-E661 HydrophobicContact CB-CG 4.39Å; N654-E661 PolarHBondContact ND2-OE1 3.34Å
655	A	81.9	Confident	91	Very high	89 Å²	89	60 Å²	60	74%	0.736	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-26.2	-175.2	0	0	0	0	0	114.1	T653	T653-A655 PolarHBondContact O-N 2.95Å
656	E	75.3	Confident	91.2	Very high	189 Å²	189	59.4 Å²	59.4	88%	0.883	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-35.4	-179	-66.1	-173.7	174.5	0	0	112	N654	N654-E656 VanDerWaalsContact C-N 3.29Å; N654-E656 PolarHBondContact O-N 2.89Å; N654-E656 PolarHBondContact OD1-N 2.72Å
657	Q	77	Confident	91.2	Very high	91 Å²	91	59.6 Å²	59.6	43%	0.425	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-7.6	-179.4	-62.2	-175.8	-47.5	0	0	113.2	N654 L659	N654-Q657 PolarHBondContact ND2-OE1 3.45Å; N654-Q657 PolarHBondContact O-N 3.39Å; N654-Q657 PolarHBondContact OD1-N 3.37Å; Q657-L659 VanDerWaalsContact C-N 3.35Å; Q657-L659 HydrophobicContact CB-CB 4.45Å; Q657-L659 HydrophobicContact CB-CD1 3.77Å; Q657-L659 HydrophobicContact CB-CG 3.79Å
658	N	85.5	Confident	90.7	Very high	126 Å²	126	61.6 Å²	61.6	67%	0.674	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	47.7	-173.1	-164.2	46.8	0	0	0	112.2	N654	N654-N658 WeakPolarHBondContact O-CA 3.07Å; N654-N658 PolarHBondContact O-N 3.12Å
659	L	91.1	Very high	90.2	Very high	20 Å²	20	66.3 Å²	66.3	11%	0.105	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.8	-178.3	-60.5	179.2	0	0	0	111.3	L620 N654 Q657 H679	L620-L659 HydrophobicContact CB-CB 4.22Å; L620-L659 HydrophobicContact CB-CD1 4.48Å; L620-L659 HydrophobicContact CB-CD2 4Å; L620-L659 HydrophobicContact CB-CG 4.46Å; L620-L659 HydrophobicContact CD1-CD1 4.37Å; L620-L659 CarbonylContact O-C 3.52Å; L620-L659 WeakPolarHBondContact O-CA 3.27Å; N654-L659 HydrophobicContact CB-CB 4.47Å; N654-L659 PolarHBondContact N-O 3.34Å; N654-L659 PolarHBondContact O-N 3.49Å; Q657-L659 VanDerWaalsContact C-N 3.35Å; Q657-L659 HydrophobicContact CB-CB 4.45Å; Q657-L659 HydrophobicContact CB-CD1 3.77Å; Q657-L659 HydrophobicContact CB-CG 3.79Å; L659-H679 HydrophobicContact CD1-CB 4.12Å; L659-H679 VanDerWaalsContact CD1-CD2 3.46Å; L659-H679 WeakPolarHBondContact CD1-CD2 3.31Å
660	F	93.6	Very high	89.6	Confident	38 Å²	38	66.2 Å²	66.2	17%	0.167	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.1	173.3	-58.1	-80.6	0	0	0	109.4	L620 E623 V626 V651 H652 T653	L620-F660 WeakPolarHBondContact CD2-O 3.37Å; L620-F660 PolarHBondContact O-N 3.14Å; E623-F660 HydrophobicContact CB-CB 4.48Å; E623-F660 HydrophobicContact CB-CD1 3.71Å; E623-F660 HydrophobicContact CB-CD2 3.85Å; E623-F660 HydrophobicContact CB-CE1 3.78Å; E623-F660 HydrophobicContact CB-CE2 3.92Å; E623-F660 HydrophobicContact CB-CG 3.74Å; E623-F660 HydrophobicContact CB-CZ 3.88Å; E623-F660 HydrophobicContact CG-CD1 3.75Å; E623-F660 HydrophobicContact CG-CE1 3.98Å; E623-F660 HydrophobicContact CG-CG 4.15Å; E623-F660 VanDerWaalsContact N-CD2 3.29Å; V626-F660 HydrophobicContact CB-CB 4.49Å; V626-F660 HydrophobicContact CG2-CB 4.22Å; V651-F660 HydrophobicContact CG1-CB 3.89Å; H652-F660 CarbonylContact O-C 3.51Å; H652-F660 WeakPolarHBondContact O-CA 3.38Å; T653-F660 HydrophobicContact CG2-CE1 4.27Å
661	E	93.7	Very high	89.2	Confident	19 Å²	19	66.7 Å²	66.7	9%	0.089	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.6	-171.3	-66.6	173.4	157.2	0	0	110.4	H652 N654 H679	H652-E661 PolarHBondContact N-O 3.37Å; H652-E661 IonicContact ND1-OE2 3.82Å; H652-E661 PolarHBondContact O-N 2.87Å; N654-E661 HydrophobicContact CB-CG 4.39Å; N654-E661 PolarHBondContact ND2-OE1 3.34Å; E661-H679 PolarHBondContact OE1-N 3.09Å; E661-H679 VanDerWaalsContact OE1-N 3.13Å
662	P	96.2	Very high	89	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.5	177.4	19.5	-18.7	0	0	0	111.8	L615 V626 W629 V630 L677	L615-P662 HydrophobicContact CD2-CG 3.97Å; V626-P662 HydrophobicContact CG1-CB 4Å; V626-P662 HydrophobicContact CG1-CG 3.92Å; W629-P662 HydrophobicContact CE3-CG 4.42Å; W629-P662 HydrophobicContact CZ3-CG 4.25Å; V630-P662 HydrophobicContact CB-CB 3.84Å; V630-P662 HydrophobicContact CG1-CB 4.38Å; V630-P662 HydrophobicContact CG2-CB 3.79Å; P662-L677 WeakPolarHBondContact CD-O 3.39Å; P662-L677 HydrophobicContact CG-CB 4.04Å; P662-L677 PolarHBondContact O-N 3.09Å
663	I	96	Very high	88.9	Confident	29 Å²	29	66.6 Å²	66.6	15%	0.149	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.5	171	-59.3	179	0	0	0	108	F649 D650 H652 D674 P676	F649-I663 CarbonylContact C-O 3.52Å; F649-I663 WeakPolarHBondContact CA-O 3.44Å; F649-I663 WeakPolarHBondContact CB-O 3.45Å; D650-I663 HydrophobicContact CB-CB 4.31Å; D650-I663 PolarHBondContact N-O 2.72Å; D650-I663 PolarHBondContact O-N 3.07Å; H652-I663 HydrophobicContact CB-CD1 3.65Å; H652-I663 HydrophobicContact CB-CG1 4.2Å; I663-D674 HydrophobicContact CG2-CB 3.79Å; I663-P676 HydrophobicContact CG1-CB 4.5Å
664	V	95.8	Very high	88.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.1	173.4	-179.6	0	0	0	0	109	M605 V630 L633 V634 W647 Y675 L677	M605-V664 HydrophobicContact SD-CB 3.68Å; M605-V664 HydrophobicContact SD-CG1 3.77Å; M605-V664 HydrophobicContact SD-CG2 3.81Å; V630-V664 HydrophobicContact CG2-CG2 4.09Å; L633-V664 HydrophobicContact CD2-CG2 4.21Å; V634-V664 HydrophobicContact CG2-CG1 4.39Å; W647-V664 HydrophobicContact CE3-CG1 3.65Å; W647-V664 HydrophobicContact CZ3-CG1 3.91Å; V664-Y675 PolarHBondContact N-O 3.29Å; V664-Y675 PolarHBondContact O-N 3.41Å; V664-L677 HydrophobicContact CG2-CD1 3.96Å; V664-L677 HydrophobicContact CG2-CG 4.47Å
665	R	95	Very high	89.3	Confident	75 Å²	75	67.2 Å²	67.2	28%	0.283	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.4	179.5	177.9	174.1	-68.4	153.4	9.4	110.1	W647 K648 D672 T673 D674	W647-R665 CarbonylContact C-O 3.56Å; W647-R665 WeakPolarHBondContact CA-O 3.47Å; K648-R665 HydrophobicContact CB-CB 4.31Å; K648-R665 PolarHBondContact N-O 2.69Å; K648-R665 PolarHBondContact O-N 3.48Å; R665-D672 HydrophobicContact CG-CB 4.16Å; R665-T673 WeakPolarHBondContact CA-O 3.24Å; R665-D674 VanDerWaalsContact CB-OD1 3.29Å; R665-D674 WeakPolarHBondContact CB-OD1 3.48Å; R665-D674 WeakPolarHBondContact CD-OD1 3.39Å; R665-D674 WeakPolarHBondContact CG-OD1 3.15Å; R665-D674 IonicContact CZ-OD1 3.03Å; R665-D674 IonicContact CZ-OD2 3.34Å; R665-D674 IonicContact NE-OD1 2.69Å; R665-D674 PolarHBondContact NE-OD1 2.78Å; R665-D674 IonicContact NE-OD2 2.69Å; R665-D674 IonicContact NH2-OD1 2.65Å; R665-D674 PolarHBondContact NH2-OD1 3.48Å; R665-D674 IonicContact NH2-OD2 2.6Å; R665-D674 PolarHBondContact NH2-OD2 3.33Å
666	V	93.3	Very high	89.8	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.067	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.9	170.1	76.3	0	0	0	0	109.9	W647 D672 T673 Y675	W647-V666 HydrophobicContact CD2-CB 4.28Å; W647-V666 HydrophobicContact CD2-CG2 3.89Å; W647-V666 HydrophobicContact CE3-CB 3.9Å; W647-V666 HydrophobicContact CE3-CG2 4Å; W647-V666 HydrophobicContact CH2-CB 4.08Å; W647-V666 HydrophobicContact CH2-CG2 3.88Å; W647-V666 HydrophobicContact CZ2-CB 4.44Å; W647-V666 HydrophobicContact CZ2-CG2 3.76Å; W647-V666 HydrophobicContact CZ3-CB 3.8Å; W647-V666 HydrophobicContact CZ3-CG2 4.01Å; V666-D672 WeakPolarHBondContact O-CA 3.3Å; V666-T673 PolarHBondContact N-O 3.48Å; V666-T673 PolarHBondContact O-N 3.43Å; V666-Y675 HydrophobicContact CB-CE2 4.5Å; V666-Y675 HydrophobicContact CG1-CE2 3.66Å
667	R	92	Very high	90.6	Very high	96 Å²	96	56.8 Å²	56.8	36%	0.362	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.5	170.4	-179.7	172.3	-69.3	-167.8	-6.5	109.4	S645 Q646 V671 D672	S645-R667 CarbonylContact C-O 3.58Å; S645-R667 VanDerWaalsContact CA-O 3.25Å; S645-R667 WeakPolarHBondContact CA-O 3.47Å; Q646-R667 HydrophobicContact CB-CB 4.34Å; Q646-R667 PolarHBondContact N-O 2.6Å; Q646-R667 PolarHBondContact O-N 3.06Å; R667-V671 WeakPolarHBondContact CA-O 3.17Å; R667-D672 WeakPolarHBondContact CB-OD1 3.07Å; R667-D672 VanDerWaalsContact CG-OD1 3.25Å; R667-D672 WeakPolarHBondContact CG-OD1 3.37Å; R667-D672 IonicContact CZ-OD1 2.72Å; R667-D672 IonicContact CZ-OD2 3.15Å; R667-D672 IonicContact NE-OD1 3.49Å; R667-D672 PolarHBondContact NE-OD1 3.01Å; R667-D672 IonicContact NE-OD2 3.82Å; R667-D672 IonicContact NH2-OD1 3.23Å; R667-D672 PolarHBondContact NH2-OD1 3.38Å; R667-D672 IonicContact NH2-OD2 3.86Å; R667-D672 PolarHBondContact NH2-OD2 3.26Å
668	T	86.4	Confident	91.2	Very high	52 Å²	52	54.6 Å²	54.6	32%	0.319	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.1	175.2	-52.2	0	0	0	0	108.8	S645 G670 V671	S645-T668 PolarHBondContact OG-OG1 3.34Å; T668-G670 PolarHBondContact O-N 2.82Å; T668-G670 VanDerWaalsContact O-N 3.09Å; T668-V671 PolarHBondContact N-O 3.35Å; T668-V671 PolarHBondContact O-N 3.35Å
669	H	85.1	Confident	91.4	Very high	184 Å²	184	50.2 Å²	50.2	85%	0.852	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	33.7	-176.2	-57.7	-56.4	0	0	0	115.1	V671	H669-V671 VanDerWaalsContact C-N 3.33Å
670	G	83.9	Confident	91	Very high	65 Å²	65	53.1 Å²	53.1	67%	0.67	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	0.4	178.2	0	0	0	0	0	115.3	T668	T668-G670 PolarHBondContact O-N 2.82Å; T668-G670 VanDerWaalsContact O-N 3.09Å
671	V	85.8	Confident	90.8	Very high	95 Å²	95	52 Å²	52	58%	0.576	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	126	173.1	-177.2	0	0	0	0	108.9	R667 T668 H669	R667-V671 WeakPolarHBondContact CA-O 3.17Å; T668-V671 PolarHBondContact N-O 3.35Å; T668-V671 PolarHBondContact O-N 3.35Å; H669-V671 VanDerWaalsContact C-N 3.33Å
672	D	90.6	Very high	90.7	Very high	60 Å²	60	51.7 Å²	51.7	32%	0.321	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.3	173.4	-71.9	-6.8	0	0	0	109.4	R665 V666 R667	R665-D672 HydrophobicContact CG-CB 4.16Å; V666-D672 WeakPolarHBondContact O-CA 3.3Å; R667-D672 WeakPolarHBondContact CB-OD1 3.07Å; R667-D672 VanDerWaalsContact CG-OD1 3.25Å; R667-D672 WeakPolarHBondContact CG-OD1 3.37Å; R667-D672 IonicContact CZ-OD1 2.72Å; R667-D672 IonicContact CZ-OD2 3.15Å; R667-D672 IonicContact NE-OD1 3.49Å; R667-D672 PolarHBondContact NE-OD1 3.01Å; R667-D672 IonicContact NE-OD2 3.82Å; R667-D672 IonicContact NH2-OD1 3.23Å; R667-D672 PolarHBondContact NH2-OD1 3.38Å; R667-D672 IonicContact NH2-OD2 3.86Å; R667-D672 PolarHBondContact NH2-OD2 3.26Å
673	T	90.7	Very high	90.2	Very high	58 Å²	58	53.9 Å²	53.9	36%	0.356	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128	172.2	-49.6	0	0	0	0	109.5	R665 V666 Y675	R665-T673 WeakPolarHBondContact CA-O 3.24Å; V666-T673 PolarHBondContact N-O 3.48Å; V666-T673 PolarHBondContact O-N 3.43Å; T673-Y675 HydrophobicContact CG2-CE1 4.14Å; T673-Y675 HydrophobicContact CG2-CE2 3.84Å; T673-Y675 WeakPolarHBondContact CG2-OH 3.27Å
674	D	93.1	Very high	89.5	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.9	-177.2	-72.7	-4.1	0	0	0	110.7	I663 R665	I663-D674 HydrophobicContact CG2-CB 3.79Å; R665-D674 VanDerWaalsContact CB-OD1 3.29Å; R665-D674 WeakPolarHBondContact CB-OD1 3.48Å; R665-D674 WeakPolarHBondContact CD-OD1 3.39Å; R665-D674 WeakPolarHBondContact CG-OD1 3.15Å; R665-D674 IonicContact CZ-OD1 3.03Å; R665-D674 IonicContact CZ-OD2 3.34Å; R665-D674 IonicContact NE-OD1 2.69Å; R665-D674 PolarHBondContact NE-OD1 2.78Å; R665-D674 IonicContact NE-OD2 2.69Å; R665-D674 IonicContact NH2-OD1 2.65Å; R665-D674 PolarHBondContact NH2-OD1 3.48Å; R665-D674 IonicContact NH2-OD2 2.6Å; R665-D674 PolarHBondContact NH2-OD2 3.33Å
675	Y	93.1	Very high	88.9	Confident	47 Å²	47	55.1 Å²	55.1	18%	0.184	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	97.9	178.5	-61.9	-77.3	0	0	0	108.8	R600 Y601 P602 V664 V666 T673	R600-Y675 VanDerWaalsContact O-CD1 3.3Å; R600-Y675 WeakPolarHBondContact O-CD1 3.35Å; R600-Y675 WeakPolarHBondContact O-CE1 3.38Å; Y601-Y675 HydrophobicContact CD1-CD1 4.13Å; Y601-Y675 HydrophobicContact CD1-CG 4.45Å; P602-Y675 HydrophobicContact CG-CD1 4.34Å; P602-Y675 HydrophobicContact CG-CD2 3.71Å; P602-Y675 HydrophobicContact CG-CE1 3.98Å; P602-Y675 HydrophobicContact CG-CE2 3.28Å; P602-Y675 HydrophobicContact CG-CG 4.21Å; P602-Y675 VanDerWaalsContact CG-CZ 3.43Å; V664-Y675 PolarHBondContact N-O 3.29Å; V664-Y675 PolarHBondContact O-N 3.41Å; V666-Y675 HydrophobicContact CB-CE2 4.5Å; V666-Y675 HydrophobicContact CG1-CE2 3.66Å; T673-Y675 HydrophobicContact CG2-CE1 4.14Å; T673-Y675 HydrophobicContact CG2-CE2 3.84Å; T673-Y675 WeakPolarHBondContact CG2-OH 3.27Å
676	P	92.1	Very high	88.5	Confident	58 Å²	58	54.1 Å²	54.1	38%	0.377	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.8	176.8	28.3	-32.7	0	0	0	110.4	Y601 I663	Y601-P676 WeakPolarHBondContact CE1-O 3.18Å; Y601-P676 PolarHBondContact OH-O 3.32Å; I663-P676 HydrophobicContact CG1-CB 4.5Å
677	L	93.5	Very high	88.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.306	C	S	.	.			trans	-104.5	62.3	169.4	-54	-178.7	0	0	0	107.8	Y601 M605 W629 L633 P662 V664 F681	Y601-L677 HydrophobicContact CD1-CD2 4.41Å; Y601-L677 HydrophobicContact CE1-CD2 4.05Å; M605-L677 HydrophobicContact CE-CD2 3.84Å; M605-L677 HydrophobicContact SD-CD2 4.39Å; W629-L677 HydrophobicContact CH2-CD1 4.04Å; W629-L677 HydrophobicContact CZ3-CD1 3.9Å; L633-L677 HydrophobicContact CD2-CD1 4.47Å; P662-L677 WeakPolarHBondContact CD-O 3.39Å; P662-L677 HydrophobicContact CG-CB 4.04Å; P662-L677 PolarHBondContact O-N 3.09Å; V664-L677 HydrophobicContact CG2-CD1 3.96Å; V664-L677 HydrophobicContact CG2-CG 4.47Å; L677-F681 HydrophobicContact CB-CD1 3.98Å; L677-F681 HydrophobicContact CB-CE1 4.44Å; L677-F681 HydrophobicContact CD2-CD1 3.86Å; L677-F681 HydrophobicContact CD2-CD2 4.38Å; L677-F681 HydrophobicContact CD2-CE1 3.7Å; L677-F681 HydrophobicContact CD2-CE2 4.23Å; L677-F681 HydrophobicContact CD2-CG 4.21Å; L677-F681 HydrophobicContact CD2-CZ 3.89Å; L677-F681 HydrophobicContact CG-CD1 4.46Å; L677-F681 HydrophobicContact CG-CE1 4.49Å
678	D	89.7	Confident	88.4	Confident	46 Å²	46	56.7 Å²	56.7	25%	0.246	32%	0.316	C	S	.	.			trans	-69.1	179.2	-172.9	60.3	18.6	0	0	0	113.7	E680 F681 I682	D678-E680 PolarHBondContact O-N 3.15Å; D678-E680 PolarHBondContact OD1-N 2.72Å; D678-F681 PolarHBondContact O-N 2.97Å; D678-F681 VanDerWaalsContact O-N 3.13Å; D678-F681 PolarHBondContact OD1-N 3.34Å; D678-I682 WeakPolarHBondContact O-CG1 3.45Å; D678-I682 PolarHBondContact O-N 3.19Å
679	H	87.9	Confident	88.5	Confident	34 Å²	34	62.1 Å²	62.1	16%	0.157	33%	0.331	C	S	.	.	H	α-helix	trans	-51.8	-38.2	175.9	177.7	-95.1	0	0	0	112.9	E617 L620 L659 E661 I682 T683	E617-H679 IonicContact OE1-CD2 3.57Å; E617-H679 IonicContact OE1-CE1 3.83Å; E617-H679 IonicContact OE1-NE2 3.68Å; E617-H679 PolarHBondContact OE1-NE2 2.87Å; L620-H679 HydrophobicContact CD1-CB 4.49Å; L659-H679 HydrophobicContact CD1-CB 4.12Å; L659-H679 VanDerWaalsContact CD1-CD2 3.46Å; L659-H679 WeakPolarHBondContact CD1-CD2 3.31Å; E661-H679 PolarHBondContact OE1-N 3.09Å; E661-H679 VanDerWaalsContact OE1-N 3.13Å; H679-I682 PolarHBondContact O-N 3.24Å; H679-T683 WeakPolarHBondContact O-CB 3.32Å; H679-T683 WeakPolarHBondContact O-CG2 3.09Å; H679-T683 PolarHBondContact O-N 3.4Å; H679-T683 PolarHBondContact O-OG1 3.08Å
680	E	84.5	Confident	88.9	Confident	80 Å²	80	53.3 Å²	53.3	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-69	-40.6	179.8	178.4	160.1	-149.4	0	0	112	K208 D678 G684	K208-E680 VanDerWaalsContact CD-OE1 3.25Å; K208-E680 WeakPolarHBondContact CD-OE1 3.13Å; K208-E680 IonicContact NZ-OE1 3.58Å; K208-E680 PolarHBondContact NZ-OE1 2.84Å; K208-E680 IonicContact NZ-OE2 3.24Å; K208-E680 PolarHBondContact NZ-OE2 2.83Å; D678-E680 PolarHBondContact O-N 3.15Å; D678-E680 PolarHBondContact OD1-N 2.72Å; E680-G684 WeakPolarHBondContact O-CA 3.41Å; E680-G684 PolarHBondContact O-N 3.25Å
681	F	88.7	Confident	89.3	Confident	15 Å²	15	50.5 Å²	50.5	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-49	173.4	-178.6	-91.4	0	0	0	111.5	M597 Y601 L606 L609 L677 D678 T683 G684 Y687	M597-F681 HydrophobicContact CE-CE2 3.79Å; M597-F681 HydrophobicContact CE-CZ 4.46Å; Y601-F681 HydrophobicContact CD2-CE2 4.17Å; Y601-F681 HydrophobicContact CE1-CD2 4.27Å; Y601-F681 HydrophobicContact CE1-CE2 4.38Å; Y601-F681 AromaticContact CE2-CD2 3.73Å; Y601-F681 HydrophobicContact CE2-CD2 3.73Å; Y601-F681 AromaticContact CE2-CE2 3.83Å; Y601-F681 HydrophobicContact CE2-CE2 3.83Å; Y601-F681 AromaticContact CZ-CD2 3.57Å; Y601-F681 AromaticContact CZ-CE2 3.93Å; Y601-F681 WeakPolarHBondContact OH-CD2 3.41Å; L606-F681 HydrophobicContact CD2-CZ 4.44Å; L609-F681 HydrophobicContact CD1-CE1 4.15Å; L609-F681 HydrophobicContact CD1-CZ 3.82Å; L677-F681 HydrophobicContact CB-CD1 3.98Å; L677-F681 HydrophobicContact CB-CE1 4.44Å; L677-F681 HydrophobicContact CD2-CD1 3.86Å; L677-F681 HydrophobicContact CD2-CD2 4.38Å; L677-F681 HydrophobicContact CD2-CE1 3.7Å; L677-F681 HydrophobicContact CD2-CE2 4.23Å; L677-F681 HydrophobicContact CD2-CG 4.21Å; L677-F681 HydrophobicContact CD2-CZ 3.89Å; L677-F681 HydrophobicContact CG-CD1 4.46Å; L677-F681 HydrophobicContact CG-CE1 4.49Å; D678-F681 PolarHBondContact O-N 2.97Å; D678-F681 VanDerWaalsContact O-N 3.13Å; D678-F681 PolarHBondContact OD1-N 3.34Å; F681-T683 PolarHBondContact O-N 3.32Å; F681-G684 PolarHBondContact O-N 3Å; F681-G684 VanDerWaalsContact O-N 3.16Å; F681-Y687 HydrophobicContact CD1-CD2 4.12Å; F681-Y687 HydrophobicContact CD1-CG 4.25Å; F681-Y687 AromaticContact CE1-CD2 3.33Å; F681-Y687 HydrophobicContact CE1-CD2 3.33Å; F681-Y687 AromaticContact CE1-CE2 3.97Å; F681-Y687 HydrophobicContact CE1-CE2 3.97Å; F681-Y687 AromaticContact CE1-CG 3.86Å; F681-Y687 HydrophobicContact CE1-CG 3.86Å; F681-Y687 AromaticContact CZ-CD2 3.93Å; F681-Y687 HydrophobicContact CZ-CD2 3.93Å; F681-Y687 WeakPolarHBondContact O-CB 3.25Å
682	I	92	Very high	89.6	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.062	25%	0.25	C	C	.	.	H	α-helix	trans	-68.1	-35.6	-175.4	-63.8	-63.9	0	0	0	112.2	L615 L620 D678 H679 G684 Y687	L615-I682 HydrophobicContact CB-CD1 4.32Å; L615-I682 HydrophobicContact CD2-CD1 3.92Å; L615-I682 HydrophobicContact CG-CD1 4.46Å; L615-I682 WeakPolarHBondContact O-CG2 3.2Å; L620-I682 HydrophobicContact CD1-CB 4.22Å; L620-I682 HydrophobicContact CD1-CG1 4.38Å; L620-I682 HydrophobicContact CD1-CG2 4.16Å; L620-I682 HydrophobicContact CD2-CG1 4.35Å; D678-I682 WeakPolarHBondContact O-CG1 3.45Å; D678-I682 PolarHBondContact O-N 3.19Å; H679-I682 PolarHBondContact O-N 3.24Å; I682-G684 VanDerWaalsContact C-N 3.33Å; I682-Y687 HydrophobicContact CD1-CD1 4.26Å; I682-Y687 HydrophobicContact CD1-CE1 3.84Å; I682-Y687 HydrophobicContact CD1-CE2 4.32Å; I682-Y687 HydrophobicContact CG2-CE1 4.3Å; I682-Y687 VanDerWaalsContact O-CD1 3.31Å; I682-Y687 WeakPolarHBondContact O-CD1 3.44Å
683	T	85.1	Confident	89.7	Confident	46 Å²	46	46 Å²	46	28%	0.282	24%	0.235	S	C	.	.	H	α-helix	trans	-84.2	-12.4	175.2	59.2	0	0	0	0	113.1	E617 H679 F681 R688	E617-T683 HydrophobicContact CB-CG2 4.2Å; E617-T683 HydrophobicContact CG-CG2 4.2Å; H679-T683 WeakPolarHBondContact O-CB 3.32Å; H679-T683 WeakPolarHBondContact O-CG2 3.09Å; H679-T683 PolarHBondContact O-N 3.4Å; H679-T683 PolarHBondContact O-OG1 3.08Å; F681-T683 PolarHBondContact O-N 3.32Å; T683-R688 PolarHBondContact O-NH2 2.96Å; T683-R688 VanDerWaalsContact O-NH2 3.16Å
684	G	82.2	Confident	89.8	Confident	16 Å²	16	43.3 Å²	43.3	17%	0.165	22%	0.218	C	C	.	.	S	Bend	trans	-63.6	150.8	-176	0	0	0	0	0	115	E680 F681 I682 E686 R688	E680-G684 WeakPolarHBondContact O-CA 3.41Å; E680-G684 PolarHBondContact O-N 3.25Å; F681-G684 PolarHBondContact O-N 3Å; F681-G684 VanDerWaalsContact O-N 3.16Å; I682-G684 VanDerWaalsContact C-N 3.33Å; G684-E686 VanDerWaalsContact C-N 3.31Å; G684-E686 PolarHBondContact O-N 3.38Å; G684-R688 PolarHBondContact O-N 2.87Å
685	G	83.4	Confident	89.8	Confident	40 Å²	40	45.6 Å²	45.6	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-29.7	-179.4	0	0	0	0	0	114	R689	G685-R689 WeakPolarHBondContact O-CG 3.3Å; G685-R689 PolarHBondContact O-N 3.23Å
686	E	86.3	Confident	89.6	Confident	53 Å²	53	47.3 Å²	47.3	25%	0.248	24%	0.235	C	C	.	.	H	α-helix	trans	-69.7	-49.9	178.9	-62.6	-174.3	132.6	0	0	111.4	M593 M597 R600 G684 R688 R689 I690	M593-E686 HydrophobicContact CE-CB 4.21Å; M593-E686 VanDerWaalsContact CE-O 3.24Å; M593-E686 WeakPolarHBondContact CE-O 3.28Å; M593-E686 HydrophobicContact CG-CB 4.46Å; M593-E686 HydrophobicContact CG-CG 4.22Å; M593-E686 HydrophobicContact SD-CB 3.82Å; M593-E686 HydrophobicContact SD-CG 3.95Å; M597-E686 HydrophobicContact CE-CB 3.9Å; M597-E686 WeakPolarHBondContact CE-OE2 3.5Å; M597-E686 WeakPolarHBondContact CG-OE1 3.44Å; M597-E686 WeakPolarHBondContact CG-OE2 3.28Å; M597-E686 HydrophobicContact SD-CB 3.76Å; M597-E686 HydrophobicContact SD-CG 4.24Å; R600-E686 IonicContact NH2-OE1 3.48Å; R600-E686 IonicContact NH2-OE2 3.38Å; R600-E686 PolarHBondContact NH2-OE2 3.14Å; G684-E686 VanDerWaalsContact C-N 3.31Å; G684-E686 PolarHBondContact O-N 3.38Å; E686-R688 VanDerWaalsContact C-N 3.33Å; E686-R688 PolarHBondContact O-N 3.36Å; E686-R689 WeakPolarHBondContact O-CB 3.39Å; E686-R689 PolarHBondContact O-N 3.3Å; E686-R689 VanDerWaalsContact O-N 3.14Å; E686-I690 WeakPolarHBondContact O-CG1 3.46Å; E686-I690 PolarHBondContact O-N 2.96Å; E686-I690 VanDerWaalsContact O-N 3.08Å
687	Y	91.8	Very high	89.6	Confident	6 Å²	6	45.1 Å²	45.1	2%	0.024	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-44.5	176.2	-179.4	-110.9	0	0	0	111.5	L609 L615 F681 I682 R689 I690 C691	L609-Y687 HydrophobicContact CD1-CD2 4.44Å; L609-Y687 HydrophobicContact CD1-CE2 4.46Å; L615-Y687 WeakPolarHBondContact CB-OH 3.43Å; L615-Y687 PolarHBondContact N-OH 2.94Å; L615-Y687 WeakPolarHBondContact O-CE1 3.37Å; F681-Y687 HydrophobicContact CD1-CD2 4.12Å; F681-Y687 HydrophobicContact CD1-CG 4.25Å; F681-Y687 AromaticContact CE1-CD2 3.33Å; F681-Y687 HydrophobicContact CE1-CD2 3.33Å; F681-Y687 AromaticContact CE1-CE2 3.97Å; F681-Y687 HydrophobicContact CE1-CE2 3.97Å; F681-Y687 AromaticContact CE1-CG 3.86Å; F681-Y687 HydrophobicContact CE1-CG 3.86Å; F681-Y687 AromaticContact CZ-CD2 3.93Å; F681-Y687 HydrophobicContact CZ-CD2 3.93Å; F681-Y687 WeakPolarHBondContact O-CB 3.25Å; I682-Y687 HydrophobicContact CD1-CD1 4.26Å; I682-Y687 HydrophobicContact CD1-CE1 3.84Å; I682-Y687 HydrophobicContact CD1-CE2 4.32Å; I682-Y687 HydrophobicContact CG2-CE1 4.3Å; I682-Y687 VanDerWaalsContact O-CD1 3.31Å; I682-Y687 WeakPolarHBondContact O-CD1 3.44Å; Y687-R689 VanDerWaalsContact C-N 3.29Å; Y687-R689 PolarHBondContact O-N 3.26Å; Y687-I690 WeakPolarHBondContact O-CB 3.43Å; Y687-I690 PolarHBondContact O-N 3.11Å; Y687-C691 WeakPolarHBondContact CE1-SG 3.45Å; Y687-C691 PolarHBondContact O-N 3.34Å; Y687-C691 PolarHBondContact O-SG 3.17Å; Y687-C691 VanDerWaalsContact O-SG 3.37Å
688	R	90.4	Very high	89.3	Confident	156 Å²	156	48.7 Å²	48.7	59%	0.589	23%	0.234	S	C	*	.	H	α-helix	trans	-55.1	-42.7	175.4	-167.3	-178.1	-55	159.1	7.9	112.6	T683 G684 E686 C691 T692	T683-R688 PolarHBondContact O-NH2 2.96Å; T683-R688 VanDerWaalsContact O-NH2 3.16Å; G684-R688 PolarHBondContact O-N 2.87Å; E686-R688 VanDerWaalsContact C-N 3.33Å; E686-R688 PolarHBondContact O-N 3.36Å; R688-C691 PolarHBondContact O-N 3.44Å; R688-T692 PolarHBondContact O-N 2.88Å; R688-T692 PolarHBondContact O-OG1 3.46Å
689	R	88.5	Confident	89	Confident	165 Å²	165	49.9 Å²	49.9	62%	0.623	26%	0.257	S	S	*	.	H	α-helix	trans	-65.8	-39.9	176.9	-73.9	175.4	-173.5	-119.3	5.5	112.3	M593 G685 E686 Y687 L693	M593-R689 HydrophobicContact CE-CB 4.07Å; M593-R689 HydrophobicContact SD-CB 4.06Å; G685-R689 WeakPolarHBondContact O-CG 3.3Å; G685-R689 PolarHBondContact O-N 3.23Å; E686-R689 WeakPolarHBondContact O-CB 3.39Å; E686-R689 PolarHBondContact O-N 3.3Å; E686-R689 VanDerWaalsContact O-N 3.14Å; Y687-R689 VanDerWaalsContact C-N 3.29Å; Y687-R689 PolarHBondContact O-N 3.26Å; R689-L693 PolarHBondContact O-N 3.03Å; R689-L693 VanDerWaalsContact O-N 3.09Å
690	I	93.6	Very high	88.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-49.3	173.1	-64.4	176	0	0	0	109.7	T590 M593 I594 M597 L606 L609 I610 E686 Y687 L693 G694	T590-I690 HydrophobicContact CG2-CG1 4.19Å; M593-I690 HydrophobicContact CE-CD1 4.06Å; M593-I690 HydrophobicContact CE-CG1 3.46Å; M593-I690 VanDerWaalsContact CE-CG1 3.46Å; I594-I690 HydrophobicContact CG1-CD1 4.47Å; M597-I690 HydrophobicContact SD-CD1 4.39Å; L606-I690 HydrophobicContact CD2-CD1 4.37Å; L609-I690 HydrophobicContact CB-CG2 3.72Å; I610-I690 HydrophobicContact CG1-CG2 3.9Å; E686-I690 WeakPolarHBondContact O-CG1 3.46Å; E686-I690 PolarHBondContact O-N 2.96Å; E686-I690 VanDerWaalsContact O-N 3.08Å; Y687-I690 WeakPolarHBondContact O-CB 3.43Å; Y687-I690 PolarHBondContact O-N 3.11Å; I690-L693 PolarHBondContact O-N 2.95Å; I690-G694 PolarHBondContact O-N 2.98Å
691	C	93.4	Very high	89	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-46.3	179.7	-68.9	0	0	0	0	112.9	T614 Y687 R688 L693 G694 E695	T614-C691 HydrophobicContact CG2-CB 4.04Å; T614-C691 WeakPolarHBondContact OG1-CB 3.15Å; Y687-C691 WeakPolarHBondContact CE1-SG 3.45Å; Y687-C691 PolarHBondContact O-N 3.34Å; Y687-C691 PolarHBondContact O-SG 3.17Å; Y687-C691 VanDerWaalsContact O-SG 3.37Å; R688-C691 PolarHBondContact O-N 3.44Å; C691-L693 VanDerWaalsContact C-N 3.32Å; C691-L693 PolarHBondContact O-N 3.32Å; C691-G694 CarbonylContact O-C 3.59Å; C691-G694 WeakPolarHBondContact O-CA 3.29Å; C691-G694 PolarHBondContact O-N 2.99Å; C691-G694 VanDerWaalsContact O-N 3.1Å; C691-E695 WeakPolarHBondContact O-CG 3.38Å; C691-E695 PolarHBondContact O-N 3.34Å
692	T	92	Very high	88.8	Confident	60 Å²	60	52.5 Å²	52.5	37%	0.368	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-38.1	177.8	-60.6	0	0	0	0	112.4	R688	R688-T692 PolarHBondContact O-N 2.88Å; R688-T692 PolarHBondContact O-OG1 3.46Å
693	L	92.9	Very high	88.1	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-44.6	172.2	177.2	64.7	0	0	0	110.6	L583 E586 Y587 T590 I610 R689 I690 C691 E695 K696 L697	L583-L693 HydrophobicContact CD1-CD1 4.37Å; E586-L693 HydrophobicContact CB-CD1 4.26Å; Y587-L693 HydrophobicContact CD2-CD2 4.04Å; T590-L693 HydrophobicContact CG2-CD2 3.65Å; I610-L693 HydrophobicContact CD1-CD2 4.23Å; I610-L693 HydrophobicContact CG2-CD2 4.4Å; I610-L693 HydrophobicContact CG2-CG 4.37Å; R689-L693 PolarHBondContact O-N 3.03Å; R689-L693 VanDerWaalsContact O-N 3.09Å; I690-L693 PolarHBondContact O-N 2.95Å; C691-L693 VanDerWaalsContact C-N 3.32Å; C691-L693 PolarHBondContact O-N 3.32Å; L693-E695 VanDerWaalsContact C-N 3.32Å; L693-E695 PolarHBondContact O-N 2.98Å; L693-K696 PolarHBondContact O-N 3.5Å; L693-L697 HydrophobicContact CD1-CD1 3.85Å; L693-L697 HydrophobicContact CD1-CG 4.11Å; L693-L697 HydrophobicContact CD2-CD1 4.25Å; L693-L697 HydrophobicContact CG-CD1 3.8Å; L693-L697 HydrophobicContact CG-CG 4.33Å; L693-L697 PolarHBondContact O-N 2.86Å; L693-L697 VanDerWaalsContact O-N 3.13Å
694	G	92.5	Very high	88.2	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-57.5	-42	178.2	0	0	0	0	0	113.4	I610 I690 C691 K696 L697 R698	I610-G694 WeakPolarHBondContact O-CA 2.94Å; I690-G694 PolarHBondContact O-N 2.98Å; C691-G694 CarbonylContact O-C 3.59Å; C691-G694 WeakPolarHBondContact O-CA 3.29Å; C691-G694 PolarHBondContact O-N 2.99Å; C691-G694 VanDerWaalsContact O-N 3.1Å; G694-K696 PolarHBondContact O-N 3.21Å; G694-K696 VanDerWaalsContact O-N 3.16Å; G694-L697 PolarHBondContact O-N 3.05Å; G694-L697 VanDerWaalsContact O-N 3.13Å; G694-R698 VanDerWaalsContact C-CZ 3.41Å; G694-R698 VanDerWaalsContact CA-NH1 3.34Å; G694-R698 WeakPolarHBondContact O-CB 3.35Å; G694-R698 VanDerWaalsContact O-CG 3.24Å; G694-R698 WeakPolarHBondContact O-CG 3.46Å; G694-R698 PolarHBondContact O-N 3.48Å
695	E	91.6	Very high	88.6	Confident	116 Å²	116	63.3 Å²	63.3	54%	0.542	32%	0.318	S	S	.	.	H	α-helix	trans	-56.7	-29.9	175.2	-74.7	168	-174.1	0	0	113.1	C691 L693	C691-E695 WeakPolarHBondContact O-CG 3.38Å; C691-E695 PolarHBondContact O-N 3.34Å; L693-E695 VanDerWaalsContact C-N 3.32Å; L693-E695 PolarHBondContact O-N 2.98Å
696	K	90.3	Very high	89	Confident	83 Å²	83	63.3 Å²	63.3	36%	0.361	31%	0.307	S	S	.	.	H	α-helix	trans	-87.5	-27.9	178.9	-63.7	175.6	-175.1	173.1	0	113.3	L583 E586 L693 G694	L583-K696 HydrophobicContact CD1-CB 4Å; L583-K696 HydrophobicContact CD1-CD 4.38Å; E586-K696 IonicContact OE1-NZ 3.34Å; E586-K696 PolarHBondContact OE1-NZ 3.35Å; E586-K696 VanDerWaalsContact OE2-CD 3.29Å; E586-K696 WeakPolarHBondContact OE2-CD 3.2Å; E586-K696 WeakPolarHBondContact OE2-CE 3.37Å; E586-K696 IonicContact OE2-NZ 2.67Å; E586-K696 PolarHBondContact OE2-NZ 3.4Å; L693-K696 PolarHBondContact O-N 3.5Å; G694-K696 PolarHBondContact O-N 3.21Å; G694-K696 VanDerWaalsContact O-N 3.16Å
697	L	90.8	Very high	89.4	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-95.1	-31.6	-175.8	-67	-178.1	0	0	0	113.4	L583 Y587 I610 L693 G694 G699 L700 F719	L583-L697 HydrophobicContact CD1-CD2 3.89Å; L583-L697 HydrophobicContact CD2-CD2 4.11Å; L583-L697 HydrophobicContact CG-CD2 4.25Å; Y587-L697 HydrophobicContact CD2-CD1 3.91Å; Y587-L697 HydrophobicContact CE2-CD1 4.34Å; I610-L697 HydrophobicContact CG2-CD1 3.97Å; L693-L697 HydrophobicContact CD1-CD1 3.85Å; L693-L697 HydrophobicContact CD1-CG 4.11Å; L693-L697 HydrophobicContact CD2-CD1 4.25Å; L693-L697 HydrophobicContact CG-CD1 3.8Å; L693-L697 HydrophobicContact CG-CG 4.33Å; L693-L697 PolarHBondContact O-N 2.86Å; L693-L697 VanDerWaalsContact O-N 3.13Å; G694-L697 PolarHBondContact O-N 3.05Å; G694-L697 VanDerWaalsContact O-N 3.13Å; L697-G699 PolarHBondContact O-N 2.94Å; L697-L700 HydrophobicContact CD2-CD2 3.87Å; L697-L700 VanDerWaalsContact O-CB 3.27Å; L697-L700 WeakPolarHBondContact O-CB 3.49Å; L697-L700 PolarHBondContact O-N 2.99Å; L697-F719 HydrophobicContact CD2-CB 3.97Å; L697-F719 HydrophobicContact CD2-CD1 4.03Å; L697-F719 HydrophobicContact CD2-CD2 4.04Å; L697-F719 HydrophobicContact CD2-CG 3.75Å
698	R	87.4	Confident	89.3	Confident	76 Å²	76	63.7 Å²	63.7	29%	0.287	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	117.7	179.9	-73.9	-174.6	-55.3	-99.1	6.1	109.9	I610 Y611 Q612 G694 L700	I610-R698 PolarHBondContact O-NH1 3.01Å; Y611-R698 WeakPolarHBondContact O-CD 3.46Å; Q612-R698 PolarHBondContact O-NH1 3.08Å; G694-R698 VanDerWaalsContact C-CZ 3.41Å; G694-R698 VanDerWaalsContact CA-NH1 3.34Å; G694-R698 WeakPolarHBondContact O-CB 3.35Å; G694-R698 VanDerWaalsContact O-CG 3.24Å; G694-R698 WeakPolarHBondContact O-CG 3.46Å; G694-R698 PolarHBondContact O-N 3.48Å; R698-L700 VanDerWaalsContact C-N 3.25Å; R698-L700 PolarHBondContact O-N 3.4Å
699	G	83	Confident	89.2	Confident	71 Å²	71	58 Å²	58	73%	0.732	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	9.8	-177	0	0	0	0	0	114.6	L697	L697-G699 PolarHBondContact O-N 2.94Å
700	L	86.2	Confident	89	Confident	32 Å²	32	52.7 Å²	52.7	17%	0.168	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-39.7	178.5	-178.7	66.1	0	0	0	112.4	T568 L575 L583 L697 R698	T568-L700 WeakPolarHBondContact CB-O 3.11Å; T568-L700 HydrophobicContact CG2-CD1 3.77Å; T568-L700 HydrophobicContact CG2-CG 4.13Å; T568-L700 WeakPolarHBondContact CG2-O 3.23Å; L575-L700 HydrophobicContact CD1-CD1 4.29Å; L583-L700 HydrophobicContact CD2-CD2 3.62Å; L697-L700 HydrophobicContact CD2-CD2 3.87Å; L697-L700 VanDerWaalsContact O-CB 3.27Å; L697-L700 WeakPolarHBondContact O-CB 3.49Å; L697-L700 PolarHBondContact O-N 2.99Å; R698-L700 VanDerWaalsContact C-N 3.25Å; R698-L700 PolarHBondContact O-N 3.4Å
701	L	86.3	Confident	88.5	Confident	39 Å²	39	62.3 Å²	62.3	20%	0.204	33%	0.329	C	S	.	.	S	Bend	trans	-104.8	121.5	-178.6	-57	178.2	0	0	0	108.9	L566 A705 V716	L566-L701 HydrophobicContact CD1-CD2 4.02Å; L566-L701 HydrophobicContact CD2-CD2 4.23Å; L566-L701 HydrophobicContact CG-CD2 4.31Å; L701-A705 HydrophobicContact CB-CB 3.95Å; L701-A705 HydrophobicContact CD2-CB 3.95Å; L701-A705 HydrophobicContact CG-CB 4.45Å; L701-V716 HydrophobicContact CD1-CG2 4.44Å
702	E	85.1	Confident	88.3	Confident	113 Å²	113	67.3 Å²	67.3	53%	0.528	35%	0.347	S	S	.	.			trans	-98.2	-179.5	175.1	-60.9	175.4	-173.7	0	0	110.5	T568 N569 D704 A705	T568-E702 PolarHBondContact O-N 3.17Å; N569-E702 HydrophobicContact CB-CB 4.16Å; N569-E702 PolarHBondContact ND2-OE2 3.39Å; E702-D704 PolarHBondContact O-N 3.28Å; E702-A705 WeakPolarHBondContact O-CB 3.39Å; E702-A705 PolarHBondContact O-N 3Å
703	E	78	Confident	88.3	Confident	177 Å²	177	73.3 Å²	73.3	83%	0.827	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	135.9	169.2	-157.1	170.1	-174.9	0	0	109.3
704	D	86.8	Confident	88.3	Confident	121 Å²	121	76.6 Å²	76.6	65%	0.647	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	16.2	-173.1	-52.6	-39	0	0	0	117.5	E702	E702-D704 PolarHBondContact O-N 3.28Å
705	A	90.8	Very high	88.3	Confident	2 Å²	2	80.8 Å²	80.8	2%	0.017	41%	0.406	C	S	.	.			trans	-59.6	140.8	170.2	0	0	0	0	0	112.6	H567 T568 L701 E702 P715 V716	H567-A705 VanDerWaalsContact O-CA 3.32Å; H567-A705 WeakPolarHBondContact O-CA 3.26Å; H567-A705 WeakPolarHBondContact O-CB 3.45Å; T568-A705 WeakPolarHBondContact O-CB 3.25Å; L701-A705 HydrophobicContact CB-CB 3.95Å; L701-A705 HydrophobicContact CD2-CB 3.95Å; L701-A705 HydrophobicContact CG-CB 4.45Å; E702-A705 WeakPolarHBondContact O-CB 3.39Å; E702-A705 PolarHBondContact O-N 3Å; A705-P715 WeakPolarHBondContact O-CA 3.43Å; A705-V716 HydrophobicContact CB-CG2 4.36Å; A705-V716 PolarHBondContact O-N 3.07Å
706	F	92.3	Very high	88.3	Confident	40 Å²	40	75.7 Å²	75.7	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.9	178.5	67.6	-88	0	0	0	112.5	H567 E708 R713 Q714	H567-F706 HydrophobicContact CB-CD1 3.77Å; H567-F706 HydrophobicContact CB-CD2 4.16Å; H567-F706 HydrophobicContact CB-CE1 3.46Å; H567-F706 VanDerWaalsContact CB-CE1 3.46Å; H567-F706 HydrophobicContact CB-CE2 3.89Å; H567-F706 HydrophobicContact CB-CG 4.11Å; H567-F706 HydrophobicContact CB-CZ 3.53Å; H567-F706 AromaticContact CD2-CD2 3.93Å; H567-F706 AromaticContact CD2-CE2 3.24Å; H567-F706 WeakPolarHBondContact CD2-CE2 3.48Å; H567-F706 AromaticContact CD2-CZ 3.48Å; H567-F706 VanDerWaalsContact CD2-CZ 3.48Å; H567-F706 WeakPolarHBondContact CD2-CZ 3.42Å; H567-F706 AromaticContact CE1-CZ 3.93Å; H567-F706 AromaticContact CG-CE1 3.74Å; H567-F706 AromaticContact CG-CE2 3.52Å; H567-F706 AromaticContact CG-CZ 3.24Å; H567-F706 PolarHBondContact N-O 3.48Å; H567-F706 AromaticContact ND1-CZ 3.58Å; H567-F706 AromaticContact NE2-CE2 3.8Å; H567-F706 AromaticContact NE2-CZ 3.94Å; H567-F706 PolarHBondContact O-N 3.45Å; F706-E708 HydrophobicContact CD2-CB 4.33Å; F706-E708 HydrophobicContact CE2-CB 4.26Å; F706-R713 HydrophobicContact CD2-CB 4.32Å; F706-Q714 CarbonylContact C-O 3.4Å; F706-Q714 VanDerWaalsContact CA-O 3.29Å; F706-Q714 WeakPolarHBondContact CA-O 3.44Å; F706-Q714 WeakPolarHBondContact CB-O 3.47Å
707	I	93	Very high	88.1	Confident	1 Å²	1	76 Å²	76	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.2	170.7	-171.2	73.8	0	0	0	109.2	T565 L566 R713 Q714 V716 A722 W725 L726	T565-I707 WeakPolarHBondContact O-CD1 3.48Å; L566-I707 HydrophobicContact CB-CD1 3.77Å; L566-I707 HydrophobicContact CD1-CB 4.33Å; L566-I707 HydrophobicContact CD1-CD1 3.9Å; L566-I707 HydrophobicContact CG-CD1 4.44Å; I707-R713 CarbonylContact O-C 3.53Å; I707-R713 VanDerWaalsContact O-CA 3.29Å; I707-R713 WeakPolarHBondContact O-CA 3.17Å; I707-Q714 HydrophobicContact CG2-CB 3.97Å; I707-Q714 PolarHBondContact N-O 3.32Å; I707-Q714 PolarHBondContact O-N 2.78Å; I707-V716 HydrophobicContact CB-CG1 4.29Å; I707-V716 HydrophobicContact CG2-CG1 3.67Å; I707-A722 HydrophobicContact CB-CB 4.24Å; I707-A722 HydrophobicContact CG1-CB 4.49Å; I707-A722 HydrophobicContact CG2-CB 4.48Å; I707-W725 HydrophobicContact CB-CE3 4.44Å; I707-W725 HydrophobicContact CG1-CE3 4.17Å; I707-W725 HydrophobicContact CG1-CZ3 4.25Å; I707-W725 HydrophobicContact CG2-CD2 3.95Å; I707-W725 HydrophobicContact CG2-CE3 3.43Å; I707-W725 VanDerWaalsContact CG2-CE3 3.43Å; I707-W725 HydrophobicContact CG2-CG 4.42Å; I707-W725 HydrophobicContact CG2-CZ3 3.91Å; I707-L726 HydrophobicContact CD1-CD1 3.8Å; I707-L726 HydrophobicContact CD1-CD2 4.14Å; I707-L726 HydrophobicContact CD1-CG 4.14Å; I707-L726 HydrophobicContact CG1-CD1 3.99Å; I707-L726 HydrophobicContact CG1-CD2 3.67Å; I707-L726 HydrophobicContact CG1-CG 3.74Å
708	E	90.8	Very high	88	Confident	66 Å²	66	77.3 Å²	77.3	31%	0.308	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	179.2	175.4	174.3	164.7	0	0	110.5	A564 T565 F706 R712 R713	A564-E708 CarbonylContact C-O 3.59Å; A564-E708 VanDerWaalsContact CA-O 3.28Å; A564-E708 WeakPolarHBondContact CA-O 3.23Å; T565-E708 PolarHBondContact N-O 3.38Å; T565-E708 PolarHBondContact O-N 3.48Å; T565-E708 WeakPolarHBondContact OG1-CB 2.92Å; F706-E708 HydrophobicContact CD2-CB 4.33Å; F706-E708 HydrophobicContact CE2-CB 4.26Å; E708-R712 CarbonylContact C-O 3.58Å; E708-R712 VanDerWaalsContact CA-O 3.29Å; E708-R712 WeakPolarHBondContact CA-O 3.04Å; E708-R713 HydrophobicContact CB-CB 4.31Å
709	R	88.4	Confident	88.1	Confident	36 Å²	36	74 Å²	74	14%	0.136	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	111.7	172.4	-177.1	166.9	175.7	-112.8	9.4	109.7	I559 A560 D562 G563 E711 R712 W725 L726 E729	I559-R709 PolarHBondContact O-NH2 3.33Å; A560-R709 WeakPolarHBondContact O-CD 3.1Å; D562-R709 PolarHBondContact O-NE 3.24Å; D562-R709 VanDerWaalsContact O-NE 3.11Å; G563-R709 WeakPolarHBondContact O-CA 3.5Å; R709-E711 PolarHBondContact O-N 3.46Å; R709-R712 PolarHBondContact N-O 3.49Å; R709-R712 PolarHBondContact O-N 3.04Å; R709-W725 HydrophobicContact CB-CH2 4.21Å; R709-W725 HydrophobicContact CB-CZ3 4Å; R709-L726 HydrophobicContact CB-CD2 4.21Å; R709-E729 PolarHBondContact NH1-O 3.38Å; R709-E729 VanDerWaalsContact NH1-O 3.12Å
710	G	84	Confident	88.3	Confident	54 Å²	54	73.9 Å²	73.9	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	-131.2	-168.6	0	0	0	0	0	110.8	R712	G710-R712 VanDerWaalsContact C-N 3.27Å; G710-R712 PolarHBondContact O-N 3.01Å
711	E	83.4	Confident	88.5	Confident	202 Å²	202	76.2 Å²	76.2	94%	0.944	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	2	-179.2	-60.4	179.5	173.5	0	0	114.1	R709	R709-E711 PolarHBondContact O-N 3.46Å
712	R	89.7	Confident	88.7	Confident	110 Å²	110	74.4 Å²	74.4	42%	0.415	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.3	-174.7	-66.8	-174.3	177.5	167.2	7.9	110.9	E708 R709 G710 W725 E729	E708-R712 CarbonylContact C-O 3.58Å; E708-R712 VanDerWaalsContact CA-O 3.29Å; E708-R712 WeakPolarHBondContact CA-O 3.04Å; R709-R712 PolarHBondContact N-O 3.49Å; R709-R712 PolarHBondContact O-N 3.04Å; G710-R712 VanDerWaalsContact C-N 3.27Å; G710-R712 PolarHBondContact O-N 3.01Å; R712-W725 HydrophobicContact CB-CH2 4.04Å; R712-W725 HydrophobicContact CB-CZ2 4.04Å; R712-W725 WeakPolarHBondContact O-CH2 3.25Å; R712-E729 WeakPolarHBondContact CD-OE1 3.45Å; R712-E729 IonicContact CZ-OE1 2.74Å; R712-E729 IonicContact CZ-OE2 3.81Å; R712-E729 IonicContact NE-OE1 2.75Å; R712-E729 IonicContact NH1-OE1 3.82Å; R712-E729 PolarHBondContact NH1-OE1 3.27Å; R712-E729 IonicContact NH1-OE2 3.77Å; R712-E729 PolarHBondContact NH1-OE2 3.48Å
713	R	91.4	Very high	88.8	Confident	186 Å²	186	69.9 Å²	69.9	70%	0.702	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.2	177.9	67.4	-178.1	-174.5	176	2.7	111.8	F706 I707 E708	F706-R713 HydrophobicContact CD2-CB 4.32Å; I707-R713 CarbonylContact O-C 3.53Å; I707-R713 VanDerWaalsContact O-CA 3.29Å; I707-R713 WeakPolarHBondContact O-CA 3.17Å; E708-R713 HydrophobicContact CB-CB 4.31Å
714	Q	92.4	Very high	89.2	Confident	71 Å²	71	65.5 Å²	65.5	33%	0.332	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	124.3	178.2	176.7	64.6	47.6	0	0	110.1	F706 I707 V716 W725	F706-Q714 CarbonylContact C-O 3.4Å; F706-Q714 VanDerWaalsContact CA-O 3.29Å; F706-Q714 WeakPolarHBondContact CA-O 3.44Å; F706-Q714 WeakPolarHBondContact CB-O 3.47Å; I707-Q714 HydrophobicContact CG2-CB 3.97Å; I707-Q714 PolarHBondContact N-O 3.32Å; I707-Q714 PolarHBondContact O-N 2.78Å; Q714-V716 HydrophobicContact CG-CG1 4.43Å; Q714-W725 HydrophobicContact CB-CD2 3.83Å; Q714-W725 HydrophobicContact CB-CG 3.97Å; Q714-W725 HydrophobicContact CB-CZ2 4.03Å; Q714-W725 HydrophobicContact CG-CD2 4.35Å; Q714-W725 HydrophobicContact CG-CG 3.94Å
715	P	92.9	Very high	89.4	Confident	88 Å²	88	61.7 Å²	61.7	57%	0.571	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	137.3	167.7	-21.9	33.4	0	0	0	111	A705	A705-P715 WeakPolarHBondContact O-CA 3.43Å
716	V	91.2	Very high	89.3	Confident	10 Å²	10	61.7 Å²	61.7	6%	0.061	32%	0.318	C	S	.	.			trans	-133	137.9	-176.8	-66.2	0	0	0	0	111	L566 L701 A705 I707 Q714 Q721 A722	L566-V716 HydrophobicContact CD1-CG2 4.28Å; L701-V716 HydrophobicContact CD1-CG2 4.44Å; A705-V716 HydrophobicContact CB-CG2 4.36Å; A705-V716 PolarHBondContact O-N 3.07Å; I707-V716 HydrophobicContact CB-CG1 4.29Å; I707-V716 HydrophobicContact CG2-CG1 3.67Å; Q714-V716 HydrophobicContact CG-CG1 4.43Å; V716-Q721 HydrophobicContact CG1-CG 4.32Å; V716-A722 HydrophobicContact CB-CB 4.32Å; V716-A722 HydrophobicContact CG1-CB 3.99Å; V716-A722 HydrophobicContact CG2-CB 4.24Å
717	A	87	Confident	88.9	Confident	90 Å²	90	61.4 Å²	61.4	74%	0.744	32%	0.319	S	S	*	.	S	Bend	trans	-101.7	-14.7	176.1	0	0	0	0	0	112.7
718	S	88.1	Confident	88.5	Confident	38 Å²	38	68.4 Å²	68.4	27%	0.266	35%	0.349	S	S	.	.	S	Bend	trans	-145.2	158.3	178.7	75.9	0	0	0	0	111.6	E720 Q721 A722	S718-E720 VanDerWaalsContact C-N 3.28Å; S718-E720 PolarHBondContact O-N 3.46Å; S718-Q721 PolarHBondContact O-N 2.81Å; S718-Q721 PolarHBondContact OG-N 3.3Å; S718-Q721 VanDerWaalsContact OG-N 3.14Å; S718-A722 PolarHBondContact O-N 3.41Å; S718-A722 VanDerWaalsContact O-N 3.15Å
719	F	89.3	Confident	88.3	Confident	7 Å²	7	66.4 Å²	66.4	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-65.7	-33.5	176.2	-166.5	-105.8	0	0	0	112.1	L566 L580 L583 V584 Y587 L697 Q721 A722 L723	L566-F719 HydrophobicContact CD2-CD2 3.94Å; L566-F719 HydrophobicContact CD2-CE2 3.77Å; L580-F719 HydrophobicContact CD1-CE2 4.36Å; L583-F719 HydrophobicContact CB-CZ 4.24Å; L583-F719 HydrophobicContact CD2-CD2 4.18Å; L583-F719 HydrophobicContact CD2-CE2 3.44Å; L583-F719 VanDerWaalsContact CD2-CE2 3.44Å; L583-F719 HydrophobicContact CD2-CZ 3.66Å; L583-F719 HydrophobicContact CG-CE1 4.2Å; L583-F719 HydrophobicContact CG-CE2 3.91Å; L583-F719 HydrophobicContact CG-CZ 3.56Å; V584-F719 HydrophobicContact CG2-CE1 4.21Å; V584-F719 HydrophobicContact CG2-CZ 3.64Å; Y587-F719 HydrophobicContact CD1-CD1 4.4Å; Y587-F719 HydrophobicContact CD1-CE1 4.43Å; Y587-F719 AromaticContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CE1 4.14Å; Y587-F719 HydrophobicContact CE2-CD1 4.16Å; Y587-F719 AromaticContact CG-CD1 3.82Å; Y587-F719 HydrophobicContact CG-CD1 3.82Å; Y587-F719 AromaticContact CG-CE1 3.84Å; Y587-F719 HydrophobicContact CG-CE1 3.84Å; L697-F719 HydrophobicContact CD2-CB 3.97Å; L697-F719 HydrophobicContact CD2-CD1 4.03Å; L697-F719 HydrophobicContact CD2-CD2 4.04Å; L697-F719 HydrophobicContact CD2-CG 3.75Å; F719-Q721 VanDerWaalsContact C-N 3.35Å; F719-Q721 PolarHBondContact O-N 3.19Å; F719-A722 WeakPolarHBondContact O-CB 3.35Å; F719-A722 PolarHBondContact O-N 2.98Å; F719-L723 HydrophobicContact CD1-CD1 3.91Å; F719-L723 HydrophobicContact CD1-CG 4.32Å; F719-L723 HydrophobicContact CE1-CD1 3.63Å; F719-L723 HydrophobicContact CE1-CG 4.04Å; F719-L723 HydrophobicContact CZ-CD1 4.47Å; F719-L723 HydrophobicContact CZ-CG 4.49Å; F719-L723 PolarHBondContact O-N 3.43Å
720	E	87.9	Confident	88	Confident	69 Å²	69	64.8 Å²	64.8	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-59.7	-44.7	173.2	-168.5	169	-154.1	0	0	111	Y587 K607 S718 A722 L723 D724	Y587-E720 WeakPolarHBondContact OH-CB 3.18Å; Y587-E720 WeakPolarHBondContact OH-CG 3.18Å; K607-E720 IonicContact NZ-OE1 4Å; K607-E720 PolarHBondContact NZ-OE1 3.03Å; S718-E720 VanDerWaalsContact C-N 3.28Å; S718-E720 PolarHBondContact O-N 3.46Å; E720-A722 VanDerWaalsContact C-N 3.34Å; E720-A722 PolarHBondContact O-N 2.91Å; E720-L723 PolarHBondContact O-N 3.33Å; E720-D724 WeakPolarHBondContact O-CB 3.48Å; E720-D724 PolarHBondContact O-N 3.3Å
721	Q	89.4	Confident	87.8	Confident	80 Å²	80	68.3 Å²	68.3	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-38.8	177.6	-170.4	-176.3	11.5	0	0	112.2	V716 S718 F719 W725	V716-Q721 HydrophobicContact CG1-CG 4.32Å; S718-Q721 PolarHBondContact O-N 2.81Å; S718-Q721 PolarHBondContact OG-N 3.3Å; S718-Q721 VanDerWaalsContact OG-N 3.14Å; F719-Q721 VanDerWaalsContact C-N 3.35Å; F719-Q721 PolarHBondContact O-N 3.19Å; Q721-W725 WeakPolarHBondContact O-CB 3.41Å; Q721-W725 PolarHBondContact O-N 3.45Å; Q721-W725 VanDerWaalsContact O-N 3.12Å
722	A	90.6	Very high	87.6	Confident	2 Å²	2	66.7 Å²	66.7	2%	0.017	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-46.6	175.6	0	0	0	0	0	111.5	L566 I707 V716 S718 F719 E720 W725 L726	L566-A722 HydrophobicContact CD1-CB 4.28Å; I707-A722 HydrophobicContact CB-CB 4.24Å; I707-A722 HydrophobicContact CG1-CB 4.49Å; I707-A722 HydrophobicContact CG2-CB 4.48Å; V716-A722 HydrophobicContact CB-CB 4.32Å; V716-A722 HydrophobicContact CG1-CB 3.99Å; V716-A722 HydrophobicContact CG2-CB 4.24Å; S718-A722 PolarHBondContact O-N 3.41Å; S718-A722 VanDerWaalsContact O-N 3.15Å; F719-A722 WeakPolarHBondContact O-CB 3.35Å; F719-A722 PolarHBondContact O-N 2.98Å; E720-A722 VanDerWaalsContact C-N 3.34Å; E720-A722 PolarHBondContact O-N 2.91Å; A722-W725 PolarHBondContact O-N 2.99Å; A722-L726 WeakPolarHBondContact O-CG 3.36Å; A722-L726 PolarHBondContact O-N 3.5Å
723	L	88	Confident	87	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-47	178	-79.9	-179.1	0	0	0	113.2	V584 Y587 F719 E720 W725 L726 V727	V584-L723 HydrophobicContact CB-CD2 4.16Å; V584-L723 HydrophobicContact CG1-CD2 3.65Å; V584-L723 HydrophobicContact CG2-CD2 3.44Å; V584-L723 VanDerWaalsContact CG2-CD2 3.44Å; V584-L723 HydrophobicContact CG2-CG 4.37Å; Y587-L723 HydrophobicContact CD1-CD1 3.26Å; Y587-L723 HydrophobicContact CE1-CD1 3.62Å; Y587-L723 HydrophobicContact CG-CD1 3.97Å; F719-L723 HydrophobicContact CD1-CD1 3.91Å; F719-L723 HydrophobicContact CD1-CG 4.32Å; F719-L723 HydrophobicContact CE1-CD1 3.63Å; F719-L723 HydrophobicContact CE1-CG 4.04Å; F719-L723 HydrophobicContact CZ-CD1 4.47Å; F719-L723 HydrophobicContact CZ-CG 4.49Å; F719-L723 PolarHBondContact O-N 3.43Å; E720-L723 PolarHBondContact O-N 3.33Å; L723-W725 PolarHBondContact O-N 2.9Å; L723-L726 PolarHBondContact O-N 3.46Å; L723-L726 VanDerWaalsContact O-N 3.15Å; L723-V727 WeakPolarHBondContact O-CG2 3.48Å; L723-V727 PolarHBondContact O-N 3.31Å
724	D	86.7	Confident	86.6	Confident	86 Å²	86	57.2 Å²	57.2	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-57.7	-39.6	177.9	-86.3	-4.6	0	0	0	111.9	E720 K728	E720-D724 WeakPolarHBondContact O-CB 3.48Å; E720-D724 PolarHBondContact O-N 3.3Å; D724-K728 WeakPolarHBondContact O-CB 3.49Å; D724-K728 WeakPolarHBondContact O-CD 3.04Å; D724-K728 VanDerWaalsContact O-CG 3.25Å; D724-K728 WeakPolarHBondContact O-CG 3.35Å; D724-K728 PolarHBondContact O-N 3.49Å; D724-K728 VanDerWaalsContact O-N 3.11Å
725	W	90.1	Very high	86.3	Confident	41 Å²	41	57.6 Å²	57.6	16%	0.155	32%	0.315	C	S	.	.	H	α-helix	trans	-68	-46.2	176.2	-176.1	88.2	0	0	0	111.7	I707 R709 R712 Q714 Q721 A722 L723 V727 K728 E729	I707-W725 HydrophobicContact CB-CE3 4.44Å; I707-W725 HydrophobicContact CG1-CE3 4.17Å; I707-W725 HydrophobicContact CG1-CZ3 4.25Å; I707-W725 HydrophobicContact CG2-CD2 3.95Å; I707-W725 HydrophobicContact CG2-CE3 3.43Å; I707-W725 VanDerWaalsContact CG2-CE3 3.43Å; I707-W725 HydrophobicContact CG2-CG 4.42Å; I707-W725 HydrophobicContact CG2-CZ3 3.91Å; R709-W725 HydrophobicContact CB-CH2 4.21Å; R709-W725 HydrophobicContact CB-CZ3 4Å; R712-W725 HydrophobicContact CB-CH2 4.04Å; R712-W725 HydrophobicContact CB-CZ2 4.04Å; R712-W725 WeakPolarHBondContact O-CH2 3.25Å; Q714-W725 HydrophobicContact CB-CD2 3.83Å; Q714-W725 HydrophobicContact CB-CG 3.97Å; Q714-W725 HydrophobicContact CB-CZ2 4.03Å; Q714-W725 HydrophobicContact CG-CD2 4.35Å; Q714-W725 HydrophobicContact CG-CG 3.94Å; Q721-W725 WeakPolarHBondContact O-CB 3.41Å; Q721-W725 PolarHBondContact O-N 3.45Å; Q721-W725 VanDerWaalsContact O-N 3.12Å; A722-W725 PolarHBondContact O-N 2.99Å; L723-W725 PolarHBondContact O-N 2.9Å; W725-V727 PolarHBondContact O-N 2.86Å; W725-K728 PolarHBondContact O-N 3.1Å; W725-E729 HydrophobicContact CH2-CG 4.28Å; W725-E729 HydrophobicContact CZ2-CG 4.41Å; W725-E729 WeakPolarHBondContact O-CB 3.39Å; W725-E729 PolarHBondContact O-N 3.34Å
726	L	88.3	Confident	86	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-44.4	177.8	-73.1	174.1	0	0	0	111.9	A560 L561 A564 I707 R709 A722 L723 E729 S730	A560-L726 HydrophobicContact CB-CB 4Å; L561-L726 HydrophobicContact CD2-CD1 4.44Å; A564-L726 HydrophobicContact CB-CD1 4.27Å; A564-L726 HydrophobicContact CB-CD2 3.66Å; I707-L726 HydrophobicContact CD1-CD1 3.8Å; I707-L726 HydrophobicContact CD1-CD2 4.14Å; I707-L726 HydrophobicContact CD1-CG 4.14Å; I707-L726 HydrophobicContact CG1-CD1 3.99Å; I707-L726 HydrophobicContact CG1-CD2 3.67Å; I707-L726 HydrophobicContact CG1-CG 3.74Å; R709-L726 HydrophobicContact CB-CD2 4.21Å; A722-L726 WeakPolarHBondContact O-CG 3.36Å; A722-L726 PolarHBondContact O-N 3.5Å; L723-L726 PolarHBondContact O-N 3.46Å; L723-L726 VanDerWaalsContact O-N 3.15Å; L726-E729 PolarHBondContact O-N 3.15Å; L726-S730 VanDerWaalsContact O-CB 3.26Å; L726-S730 WeakPolarHBondContact O-CB 3.29Å; L726-S730 PolarHBondContact O-N 3.29Å
727	V	83.7	Confident	85.8	Confident	33 Å²	33	60.6 Å²	60.6	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-65	-40.5	177.6	173.7	0	0	0	0	111.6	A560 L723 W725 S730 R731	A560-V727 HydrophobicContact CB-CG2 4.42Å; L723-V727 WeakPolarHBondContact O-CG2 3.48Å; L723-V727 PolarHBondContact O-N 3.31Å; W725-V727 PolarHBondContact O-N 2.86Å; V727-S730 PolarHBondContact O-N 3.04Å; V727-S730 PolarHBondContact O-OG 3.38Å; V727-R731 WeakPolarHBondContact O-CG 3.49Å; V727-R731 PolarHBondContact O-N 2.93Å
728	K	85.6	Confident	85.8	Confident	148 Å²	148	63.3 Å²	63.3	64%	0.643	31%	0.313	S	S	*	.	H	α-helix	trans	-64.8	-41.4	176	-76	169.7	-174.7	165.9	0	111.9	D724 W725	D724-K728 WeakPolarHBondContact O-CB 3.49Å; D724-K728 WeakPolarHBondContact O-CD 3.04Å; D724-K728 VanDerWaalsContact O-CG 3.25Å; D724-K728 WeakPolarHBondContact O-CG 3.35Å; D724-K728 PolarHBondContact O-N 3.49Å; D724-K728 VanDerWaalsContact O-N 3.11Å; W725-K728 PolarHBondContact O-N 3.1Å
729	E	86.7	Confident	85.6	Confident	25 Å²	25	62 Å²	62	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-73.1	-31.8	179.1	-171	55.2	-141.3	0	0	111.7	R709 R712 W725 L726 R731 R732	R709-E729 PolarHBondContact NH1-O 3.38Å; R709-E729 VanDerWaalsContact NH1-O 3.12Å; R712-E729 WeakPolarHBondContact CD-OE1 3.45Å; R712-E729 IonicContact CZ-OE1 2.74Å; R712-E729 IonicContact CZ-OE2 3.81Å; R712-E729 IonicContact NE-OE1 2.75Å; R712-E729 IonicContact NH1-OE1 3.82Å; R712-E729 PolarHBondContact NH1-OE1 3.27Å; R712-E729 IonicContact NH1-OE2 3.77Å; R712-E729 PolarHBondContact NH1-OE2 3.48Å; W725-E729 HydrophobicContact CH2-CG 4.28Å; W725-E729 HydrophobicContact CZ2-CG 4.41Å; W725-E729 WeakPolarHBondContact O-CB 3.39Å; W725-E729 PolarHBondContact O-N 3.34Å; L726-E729 PolarHBondContact O-N 3.15Å; E729-R731 VanDerWaalsContact C-N 3.3Å; E729-R731 PolarHBondContact O-N 3.49Å; E729-R732 PolarHBondContact O-N 2.81Å; E729-R732 IonicContact OE2-CZ 3.74Å; E729-R732 IonicContact OE2-NE 2.76Å
730	S	81.5	Confident	85	Confident	2 Å²	2	69.4 Å²	69.4	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-32.6	177	85.6	0	0	0	0	113.5	A560 L726 V727 R732 L734	A560-S730 VanDerWaalsContact CA-CB 3.46Å; L726-S730 VanDerWaalsContact O-CB 3.26Å; L726-S730 WeakPolarHBondContact O-CB 3.29Å; L726-S730 PolarHBondContact O-N 3.29Å; V727-S730 PolarHBondContact O-N 3.04Å; V727-S730 PolarHBondContact O-OG 3.38Å; S730-R732 VanDerWaalsContact C-N 3.27Å; S730-R732 PolarHBondContact O-N 3.48Å; S730-L734 WeakPolarHBondContact O-CD1 3.28Å
731	R	80.5	Confident	84.5	Confident	127 Å²	127	66.7 Å²	66.7	48%	0.479	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.8	178	-70.3	176.4	-179.9	-169.8	3.3	114.2	V727 E729 G733 L734	V727-R731 WeakPolarHBondContact O-CG 3.49Å; V727-R731 PolarHBondContact O-N 2.93Å; E729-R731 VanDerWaalsContact C-N 3.3Å; E729-R731 PolarHBondContact O-N 3.49Å; R731-G733 PolarHBondContact O-N 3.12Å; R731-L734 PolarHBondContact O-N 3.27Å
732	R	78.5	Confident	84.2	Confident	168 Å²	168	63 Å²	63	63%	0.634	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	118	178.9	-68.5	-172.7	177	-157.5	-1.6	110.6	E729 S730	E729-R732 PolarHBondContact O-N 2.81Å; E729-R732 IonicContact OE2-CZ 3.74Å; E729-R732 IonicContact OE2-NE 2.76Å; S730-R732 VanDerWaalsContact C-N 3.27Å; S730-R732 PolarHBondContact O-N 3.48Å
733	G	76.6	Confident	83.5	Confident	71 Å²	71	65 Å²	65	73%	0.732	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	0.1	179	0	0	0	0	0	115.3	R731	R731-G733 PolarHBondContact O-N 3.12Å
734	L	83.4	Confident	83.3	Confident	26 Å²	26	68.5 Å²	68.5	14%	0.136	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.3	170.8	-71	170	0	0	0	110.2	V537 K539 I559 S730 R731	V537-L734 HydrophobicContact CG1-CB 4.32Å; V537-L734 HydrophobicContact CG1-CD2 3.65Å; V537-L734 HydrophobicContact CG1-CG 4.43Å; K539-L734 HydrophobicContact CB-CD2 3.79Å; K539-L734 HydrophobicContact CD-CD2 4.32Å; K539-L734 HydrophobicContact CG-CD2 4.14Å; I559-L734 HydrophobicContact CD1-CD1 3.93Å; I559-L734 HydrophobicContact CD1-CD2 3.96Å; I559-L734 HydrophobicContact CG2-CD1 4.34Å; S730-L734 WeakPolarHBondContact O-CD1 3.28Å; R731-L734 PolarHBondContact O-N 3.27Å
735	S	85.3	Confident	83.2	Confident	79 Å²	79	64.7 Å²	64.7	55%	0.552	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	165.7	178.7	0	0	0	0	108.4	V537 K538	V537-S735 CarbonylContact C-O 3.55Å; V537-S735 WeakPolarHBondContact CA-O 3.33Å; K538-S735 PolarHBondContact N-O 3.12Å; K538-S735 PolarHBondContact O-N 3.45Å
736	I	87.2	Confident	83.2	Confident	74 Å²	74	66.2 Å²	66.2	38%	0.379	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.1	-178.6	-57.3	163.9	0	0	0	107.5	Y535 V537 M552	Y535-I736 HydrophobicContact CD1-CG2 3.91Å; V537-I736 HydrophobicContact CG1-CG1 4.13Å; V537-I736 HydrophobicContact CG2-CG1 4.18Å; V537-I736 HydrophobicContact CG2-CG2 4.38Å; M552-I736 HydrophobicContact CE-CD1 3.42Å; M552-I736 VanDerWaalsContact CE-CD1 3.42Å; M552-I736 HydrophobicContact CE-CG1 3.84Å; M552-I736 HydrophobicContact CE-CG2 3.92Å
737	Q	87.8	Confident	83.4	Confident	87 Å²	87	67.1 Å²	67.1	41%	0.407	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.5	170.8	178.8	179.1	1.2	0	0	108.4	Y535 K536	Y535-Q737 CarbonylContact C-O 3.56Å; Y535-Q737 VanDerWaalsContact CA-O 3.28Å; Y535-Q737 WeakPolarHBondContact CA-O 3.43Å; K536-Q737 HydrophobicContact CB-CB 4.39Å; K536-Q737 PolarHBondContact N-O 2.95Å; K536-Q737 PolarHBondContact O-N 3.42Å
738	R	86.4	Confident	83.8	Confident	147 Å²	147	71 Å²	71	56%	0.555	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	126.7	172.2	-174.2	177.7	-179.2	177.1	0.5	108.7	L534 Y535	L534-R738 HydrophobicContact CD1-CG 4.24Å; L534-R738 HydrophobicContact CG-CG 4.42Å; L534-R738 WeakPolarHBondContact O-CA 3.3Å; Y535-R738 HydrophobicContact CD1-CB 3.86Å; Y535-R738 HydrophobicContact CD1-CG 3.99Å; Y535-R738 HydrophobicContact CE1-CB 3.83Å; Y535-R738 HydrophobicContact CE1-CG 3.66Å
739	Y	84.3	Confident	84	Confident	11 Å²	11	65 Å²	65	4%	0.043	33%	0.332	C	S	.	.			trans	-81.6	138.9	175.9	-68.2	-70.8	0	0	0	110.4	P533 L534 K536 Y545 E744 M745 Q749	P533-Y739 WeakPolarHBondContact O-CD2 3.03Å; L534-Y739 PolarHBondContact O-N 2.94Å; K536-Y739 HydrophobicContact CB-CE2 3.73Å; K536-Y739 WeakPolarHBondContact CD-OH 3.39Å; Y545-Y739 HydrophobicContact CD1-CE2 4.29Å; Y545-Y739 HydrophobicContact CE1-CE2 4.36Å; Y739-E744 HydrophobicContact CD1-CB 4.11Å; Y739-M745 HydrophobicContact CD1-CE 4.45Å; Y739-M745 HydrophobicContact CD1-CG 3.96Å; Y739-M745 HydrophobicContact CD2-CE 3.86Å; Y739-M745 HydrophobicContact CE1-CE 4.21Å; Y739-M745 HydrophobicContact CE1-CG 3.78Å; Y739-M745 HydrophobicContact CE2-CE 3.58Å; Y739-M745 HydrophobicContact CG-CE 4.28Å; Y739-Q749 PolarHBondContact OH-NE2 3.41Å
740	K	75.8	Confident	84.2	Confident	162 Å²	162	63.9 Å²	63.9	70%	0.704	33%	0.327	S	S	*	.			trans	-101	-30.3	172.7	-65.7	-174.4	177.1	-173.1	0	113.4	E744	K740-E744 PolarHBondContact N-OE2 3.14Å
741	G	78.2	Confident	84.8	Confident	13 Å²	13	67 Å²	67	13%	0.134	34%	0.338	C	S	.	.	S	Bend	trans	-157.4	165	-179.8	0	0	0	0	0	111.9	G743 E744	G741-G743 PolarHBondContact O-N 3.12Å; G741-E744 PolarHBondContact O-N 3.03Å
742	L	82.5	Confident	85.2	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-63.9	-26.6	-178.2	-63.4	165.7	0	0	0	112	A428 M496 D498 P532 E744 M745 L750	A428-L742 HydrophobicContact CB-CB 4.02Å; M496-L742 HydrophobicContact CG-CD1 3.63Å; M496-L742 HydrophobicContact CG-CD2 4.3Å; D498-L742 WeakPolarHBondContact OD1-CB 3.47Å; D498-L742 WeakPolarHBondContact OD1-CD1 3.43Å; D498-L742 WeakPolarHBondContact OD1-CG 3.48Å; D498-L742 PolarHBondContact OD1-N 3.01Å; P532-L742 HydrophobicContact CB-CD2 3.74Å; P532-L742 HydrophobicContact CG-CD2 3.88Å; L742-E744 PolarHBondContact O-N 2.84Å; L742-M745 WeakPolarHBondContact O-CB 3.37Å; L742-M745 PolarHBondContact O-N 3.35Å; L742-M745 VanDerWaalsContact O-N 3.14Å; L742-L750 HydrophobicContact CD2-CD1 3.89Å
743	G	77.2	Confident	85.6	Confident	44 Å²	44	58.5 Å²	58.5	45%	0.454	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-65.8	-16.4	177.2	0	0	0	0	0	114.8	G741 M745	G741-G743 PolarHBondContact O-N 3.12Å; G743-M745 VanDerWaalsContact C-N 3.31Å
744	E	82.2	Confident	86.2	Confident	91 Å²	91	55.1 Å²	55.1	43%	0.425	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-82.7	-10.2	175.2	-63.1	-177.7	167.8	0	0	112.8	Y739 K740 G741 L742	Y739-E744 HydrophobicContact CD1-CB 4.11Å; K740-E744 PolarHBondContact N-OE2 3.14Å; G741-E744 PolarHBondContact O-N 3.03Å; L742-E744 PolarHBondContact O-N 2.84Å
745	M	86.4	Confident	86.7	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.025	27%	0.271	C	S	.	.	S	Bend	trans	-93.6	131.2	178.3	-59.4	-175	124.8	0	0	110.4	P533 Y739 L742 G743 Q749 L750 T753	P533-M745 HydrophobicContact CG-CE 3.48Å; P533-M745 VanDerWaalsContact CG-CE 3.48Å; Y739-M745 HydrophobicContact CD1-CE 4.45Å; Y739-M745 HydrophobicContact CD1-CG 3.96Å; Y739-M745 HydrophobicContact CD2-CE 3.86Å; Y739-M745 HydrophobicContact CE1-CE 4.21Å; Y739-M745 HydrophobicContact CE1-CG 3.78Å; Y739-M745 HydrophobicContact CE2-CE 3.58Å; Y739-M745 HydrophobicContact CG-CE 4.28Å; L742-M745 WeakPolarHBondContact O-CB 3.37Å; L742-M745 PolarHBondContact O-N 3.35Å; L742-M745 VanDerWaalsContact O-N 3.14Å; G743-M745 VanDerWaalsContact C-N 3.31Å; M745-Q749 HydrophobicContact CB-CB 4.05Å; M745-L750 HydrophobicContact CB-CB 4.48Å; M745-L750 HydrophobicContact SD-CD1 4.23Å; M745-T753 HydrophobicContact CE-CG2 4.31Å
746	N	90	Very high	87.1	Confident	73 Å²	73	51.5 Å²	51.5	39%	0.39	25%	0.252	S	S	.	.			trans	-70.8	165.2	168.8	73.7	8.8	0	0	0	110.7	E748 Q749 L750	N746-E748 VanDerWaalsContact C-N 3.25Å; N746-E748 PolarHBondContact O-N 3.15Å; N746-E748 PolarHBondContact OD1-N 3.36Å; N746-Q749 PolarHBondContact O-N 2.75Å; N746-Q749 WeakPolarHBondContact OD1-CB 3.47Å; N746-Q749 WeakPolarHBondContact OD1-CG 3.21Å; N746-Q749 PolarHBondContact OD1-N 3.5Å; N746-Q749 PolarHBondContact OD1-OE1 2.76Å; N746-L750 PolarHBondContact O-N 2.91Å
747	P	92	Very high	87.3	Confident	21 Å²	21	51.1 Å²	51.1	14%	0.136	25%	0.254	C	S	.	.	H	α-helix	trans	-54.8	-37.9	-177.9	-28.7	37.2	0	0	0	114.2	Q434 L750 W751	Q434-P747 HydrophobicContact CB-CB 3.84Å; Q434-P747 HydrophobicContact CB-CG 3.78Å; P747-L750 PolarHBondContact O-N 3.13Å; P747-W751 PolarHBondContact O-N 3.45Å
748	E	91.4	Very high	87.5	Confident	114 Å²	114	56 Å²	56	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-44.5	179.3	-62.3	76.3	-165.2	0	0	111.8	N746 L750 W751 E752	N746-E748 VanDerWaalsContact C-N 3.25Å; N746-E748 PolarHBondContact O-N 3.15Å; N746-E748 PolarHBondContact OD1-N 3.36Å; E748-L750 VanDerWaalsContact C-N 3.32Å; E748-L750 PolarHBondContact O-N 3.16Å; E748-W751 WeakPolarHBondContact O-CB 3.33Å; E748-W751 PolarHBondContact O-N 3.42Å; E748-E752 WeakPolarHBondContact O-CB 3.41Å; E748-E752 VanDerWaalsContact O-CG 3.32Å; E748-E752 WeakPolarHBondContact O-CG 3.48Å; E748-E752 PolarHBondContact O-N 2.86Å
749	Q	90.3	Very high	87.4	Confident	24 Å²	24	51.7 Å²	51.7	11%	0.112	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175	-75.4	170.9	-37	0	0	111.3	Y545 Y739 M745 N746 W751 E752 T753	Y545-Q749 WeakPolarHBondContact OH-CG 3.47Å; Y739-Q749 PolarHBondContact OH-NE2 3.41Å; M745-Q749 HydrophobicContact CB-CB 4.05Å; N746-Q749 PolarHBondContact O-N 2.75Å; N746-Q749 WeakPolarHBondContact OD1-CB 3.47Å; N746-Q749 WeakPolarHBondContact OD1-CG 3.21Å; N746-Q749 PolarHBondContact OD1-N 3.5Å; N746-Q749 PolarHBondContact OD1-OE1 2.76Å; Q749-W751 VanDerWaalsContact C-N 3.34Å; Q749-E752 PolarHBondContact O-N 2.91Å; Q749-T753 VanDerWaalsContact O-CB 3.31Å; Q749-T753 WeakPolarHBondContact O-CB 3.42Å; Q749-T753 WeakPolarHBondContact O-CG2 3.44Å; Q749-T753 PolarHBondContact O-N 3.35Å; Q749-T753 VanDerWaalsContact O-N 3.14Å; Q749-T753 PolarHBondContact O-OG1 2.77Å
750	L	91	Very high	87.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-39.8	-179.6	-169.7	65.7	0	0	0	111.2	A432 M496 L742 M745 N746 P747 E748 T754 M755	A432-L750 HydrophobicContact CB-CD2 3.92Å; M496-L750 HydrophobicContact CE-CD1 4.46Å; M496-L750 HydrophobicContact CE-CD2 4.14Å; M496-L750 HydrophobicContact SD-CD1 4.24Å; L742-L750 HydrophobicContact CD2-CD1 3.89Å; M745-L750 HydrophobicContact CB-CB 4.48Å; M745-L750 HydrophobicContact SD-CD1 4.23Å; N746-L750 PolarHBondContact O-N 2.91Å; P747-L750 PolarHBondContact O-N 3.13Å; E748-L750 VanDerWaalsContact C-N 3.32Å; E748-L750 PolarHBondContact O-N 3.16Å; L750-T754 PolarHBondContact O-N 2.88Å; L750-M755 HydrophobicContact CD2-SD 3.93Å; L750-M755 HydrophobicContact CG-CG 4.19Å; L750-M755 HydrophobicContact CG-SD 3.86Å; L750-M755 PolarHBondContact O-N 3.19Å; L750-M755 VanDerWaalsContact O-N 3.14Å
751	W	93.2	Very high	88.2	Confident	68 Å²	68	52.9 Å²	52.9	26%	0.258	27%	0.269	S	S	.	.	I	π-helix	trans	-58.6	-60.6	171.7	172.9	-97.9	0	0	0	111.6	N437 P747 E748 Q749 T753 M755 D756	N437-W751 HydrophobicContact CB-CH2 3.7Å; N437-W751 HydrophobicContact CB-CZ3 3.63Å; P747-W751 PolarHBondContact O-N 3.45Å; E748-W751 WeakPolarHBondContact O-CB 3.33Å; E748-W751 PolarHBondContact O-N 3.42Å; Q749-W751 VanDerWaalsContact C-N 3.34Å; W751-T753 PolarHBondContact O-N 3.35Å; W751-T753 VanDerWaalsContact O-N 3.07Å; W751-M755 HydrophobicContact CE3-CB 4.04Å; W751-M755 HydrophobicContact CZ3-CB 4.49Å; W751-M755 PolarHBondContact O-N 3.41Å; W751-D756 HydrophobicContact CD2-CB 4.07Å; W751-D756 HydrophobicContact CH2-CB 4.22Å; W751-D756 HydrophobicContact CZ2-CB 3.74Å; W751-D756 PolarHBondContact NE1-OD2 3.39Å; W751-D756 VanDerWaalsContact O-CB 3.28Å; W751-D756 WeakPolarHBondContact O-CB 3.44Å; W751-D756 PolarHBondContact O-N 2.91Å
752	E	89.3	Confident	88.8	Confident	100 Å²	100	54.6 Å²	54.6	47%	0.467	27%	0.274	S	S	.	.	I	π-helix	trans	-59	-26	-173.5	-73.6	174.4	-179.8	0	0	113.7	E748 Q749 S759	E748-E752 WeakPolarHBondContact O-CB 3.41Å; E748-E752 VanDerWaalsContact O-CG 3.32Å; E748-E752 WeakPolarHBondContact O-CG 3.48Å; E748-E752 PolarHBondContact O-N 2.86Å; Q749-E752 PolarHBondContact O-N 2.91Å; E752-S759 WeakPolarHBondContact O-CB 3.07Å; E752-S759 PolarHBondContact O-OG 3.13Å
753	T	87.2	Confident	89.2	Confident	15 Å²	15	58.6 Å²	58.6	9%	0.092	30%	0.295	C	S	.	.	I	π-helix	trans	-108.4	-36.7	-170.8	62.8	0	0	0	0	114.2	P533 Y545 M745 Q749 W751	P533-T753 HydrophobicContact CG-CG2 3.8Å; Y545-T753 HydrophobicContact CD1-CG2 3.61Å; Y545-T753 HydrophobicContact CD2-CG2 3.42Å; Y545-T753 VanDerWaalsContact CD2-CG2 3.42Å; Y545-T753 HydrophobicContact CE1-CG2 3.84Å; Y545-T753 HydrophobicContact CE2-CG2 3.67Å; Y545-T753 HydrophobicContact CG-CG2 3.4Å; Y545-T753 VanDerWaalsContact CG-CG2 3.4Å; M745-T753 HydrophobicContact CE-CG2 4.31Å; Q749-T753 VanDerWaalsContact O-CB 3.31Å; Q749-T753 WeakPolarHBondContact O-CB 3.42Å; Q749-T753 WeakPolarHBondContact O-CG2 3.44Å; Q749-T753 PolarHBondContact O-N 3.35Å; Q749-T753 VanDerWaalsContact O-N 3.14Å; Q749-T753 PolarHBondContact O-OG1 2.77Å; W751-T753 PolarHBondContact O-N 3.35Å; W751-T753 VanDerWaalsContact O-N 3.07Å
754	T	89.6	Confident	90	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-127.6	-24.9	-163.2	-50.4	0	0	0	0	112.8	M496 A530 P532 L750 R760	M496-T754 HydrophobicContact CG-CG2 4.39Å; M496-T754 HydrophobicContact SD-CG2 3.8Å; A530-T754 HydrophobicContact CB-CG2 3.76Å; P532-T754 WeakPolarHBondContact CA-OG1 3.47Å; P532-T754 HydrophobicContact CB-CG2 4.34Å; L750-T754 PolarHBondContact O-N 2.88Å; T754-R760 WeakPolarHBondContact O-CB 3.21Å
755	M	93.2	Very high	90.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-109	-30.1	-173.5	-53.8	-178	67.9	0	0	114.5	Y421 A432 R436 Q441 I443 M496 L750 W751 P757 R760	Y421-M755 HydrophobicContact CD1-CE 4.4Å; Y421-M755 HydrophobicContact CD2-CE 4.34Å; Y421-M755 HydrophobicContact CE1-CB 4.47Å; Y421-M755 HydrophobicContact CE1-CE 4.31Å; Y421-M755 HydrophobicContact CE1-CG 4.04Å; Y421-M755 HydrophobicContact CE2-CE 4.27Å; Y421-M755 HydrophobicContact CG-CE 4.4Å; Y421-M755 WeakPolarHBondContact OH-CA 3.28Å; Y421-M755 PolarHBondContact OH-O 3.35Å; A432-M755 HydrophobicContact CB-CE 4.34Å; A432-M755 HydrophobicContact CB-SD 4.24Å; R436-M755 HydrophobicContact CB-CE 3.57Å; Q441-M755 PolarHBondContact NE2-O 2.84Å; I443-M755 HydrophobicContact CD1-CE 3.78Å; M496-M755 HydrophobicContact SD-CG 4.48Å; L750-M755 HydrophobicContact CD2-SD 3.93Å; L750-M755 HydrophobicContact CG-CG 4.19Å; L750-M755 HydrophobicContact CG-SD 3.86Å; L750-M755 PolarHBondContact O-N 3.19Å; L750-M755 VanDerWaalsContact O-N 3.14Å; W751-M755 HydrophobicContact CE3-CB 4.04Å; W751-M755 HydrophobicContact CZ3-CB 4.49Å; W751-M755 PolarHBondContact O-N 3.41Å; M755-P757 WeakPolarHBondContact O-CD 3.23Å; M755-R760 WeakPolarHBondContact O-CD 3.3Å; M755-R760 PolarHBondContact O-NH1 3.38Å; M755-R760 VanDerWaalsContact O-NH1 3.07Å
756	D	94.2	Very high	90.7	Very high	30 Å²	30	63.8 Å²	63.8	16%	0.16	31%	0.309	C	S	.	.			trans	-69.8	117.2	-178.6	-173	-9	0	0	0	111.8	W751 E758 S759 R760	W751-D756 HydrophobicContact CD2-CB 4.07Å; W751-D756 HydrophobicContact CH2-CB 4.22Å; W751-D756 HydrophobicContact CZ2-CB 3.74Å; W751-D756 PolarHBondContact NE1-OD2 3.39Å; W751-D756 VanDerWaalsContact O-CB 3.28Å; W751-D756 WeakPolarHBondContact O-CB 3.44Å; W751-D756 PolarHBondContact O-N 2.91Å; D756-E758 PolarHBondContact O-N 2.82Å; D756-E758 PolarHBondContact OD1-N 3.12Å; D756-E758 VanDerWaalsContact OD1-N 3.1Å; D756-S759 PolarHBondContact O-N 2.7Å; D756-S759 VanDerWaalsContact O-N 3.15Å; D756-R760 WeakPolarHBondContact O-CB 3Å; D756-R760 VanDerWaalsContact O-CD 3.3Å; D756-R760 WeakPolarHBondContact O-CD 2.91Å; D756-R760 WeakPolarHBondContact O-CG 3.34Å; D756-R760 PolarHBondContact O-N 3.02Å
757	P	92.4	Very high	90.4	Very high	66 Å²	66	62.8 Å²	62.8	43%	0.429	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-25.4	178.9	-25.2	34.1	0	0	0	115.3	M755	M755-P757 WeakPolarHBondContact O-CD 3.23Å
758	E	90.1	Very high	89.6	Confident	188 Å²	188	67.2 Å²	67.2	88%	0.879	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-27	-178.5	-63.3	-171.3	173.4	0	0	113.3	D756	D756-E758 PolarHBondContact O-N 2.82Å; D756-E758 PolarHBondContact OD1-N 3.12Å; D756-E758 VanDerWaalsContact OD1-N 3.1Å
759	S	85.7	Confident	88.8	Confident	57 Å²	57	62.9 Å²	62.9	40%	0.399	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-24.9	-175.4	67.5	0	0	0	0	114.2	E752 D756	E752-S759 WeakPolarHBondContact O-CB 3.07Å; E752-S759 PolarHBondContact O-OG 3.13Å; D756-S759 PolarHBondContact O-N 2.7Å; D756-S759 VanDerWaalsContact O-N 3.15Å
760	R	90.2	Very high	88.3	Confident	45 Å²	45	63.7 Å²	63.7	17%	0.17	31%	0.314	C	S	.	.			trans	-67	153.8	-172.5	73.9	-164.9	-171.3	-173.6	-4.3	112.1	E419 Y421 T754 M755 D756 M762	E419-R760 VanDerWaalsContact CD-NH1 3.29Å; E419-R760 IonicContact OE1-CZ 3.23Å; E419-R760 IonicContact OE1-NH1 3.42Å; E419-R760 PolarHBondContact OE1-NH1 3.06Å; E419-R760 VanDerWaalsContact OE1-NH1 3.14Å; E419-R760 IonicContact OE1-NH2 2.77Å; E419-R760 PolarHBondContact OE1-NH2 3.35Å; E419-R760 IonicContact OE2-CZ 2.92Å; E419-R760 IonicContact OE2-NH1 3.51Å; E419-R760 PolarHBondContact OE2-NH1 3.26Å; E419-R760 IonicContact OE2-NH2 3.82Å; Y421-R760 PolarHBondContact OH-NH1 3.42Å; T754-R760 WeakPolarHBondContact O-CB 3.21Å; M755-R760 WeakPolarHBondContact O-CD 3.3Å; M755-R760 PolarHBondContact O-NH1 3.38Å; M755-R760 VanDerWaalsContact O-NH1 3.07Å; D756-R760 WeakPolarHBondContact O-CB 3Å; D756-R760 VanDerWaalsContact O-CD 3.3Å; D756-R760 WeakPolarHBondContact O-CD 2.91Å; D756-R760 WeakPolarHBondContact O-CG 3.34Å; D756-R760 PolarHBondContact O-N 3.02Å; R760-M762 VanDerWaalsContact CD-CE 3.42Å; R760-M762 HydrophobicContact CG-CE 4.12Å; R760-M762 VanDerWaalsContact NE-CE 3.27Å
761	R	85.8	Confident	87.7	Confident	154 Å²	154	64 Å²	64	58%	0.581	32%	0.315	S	S	*	.			trans	-119.3	141.7	170.3	-63.1	178.4	-177.7	-177.4	-0.5	109.3	Q531	Q531-R761 HydrophobicContact CB-CB 4.34Å; Q531-R761 PolarHBondContact N-O 2.84Å
762	M	90.6	Very high	87.1	Confident	48 Å²	48	62.7 Å²	62.7	24%	0.236	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.7	-179.5	-68.1	-177.2	175.5	0	0	110.6	I494 Y528 I529 R760	I494-M762 HydrophobicContact CB-CE 4.45Å; I494-M762 HydrophobicContact CD1-CE 3.5Å; I494-M762 HydrophobicContact CD1-SD 4.1Å; I494-M762 HydrophobicContact CG1-CE 3.78Å; I494-M762 HydrophobicContact CG1-SD 3.92Å; I494-M762 HydrophobicContact CG2-CE 3.83Å; I494-M762 HydrophobicContact CG2-SD 4.45Å; Y528-M762 HydrophobicContact CD1-CB 4.3Å; Y528-M762 HydrophobicContact CD1-SD 4.49Å; Y528-M762 HydrophobicContact CG-SD 4.34Å; I529-M762 WeakPolarHBondContact O-CA 3.1Å; R760-M762 VanDerWaalsContact CD-CE 3.42Å; R760-M762 HydrophobicContact CG-CE 4.12Å; R760-M762 VanDerWaalsContact NE-CE 3.27Å
763	L	92	Very high	87	Confident	86 Å²	86	58.8 Å²	58.8	45%	0.45	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.6	166.2	-57.7	174.6	0	0	0	108.1	Y528 I529 Q531	Y528-L763 CarbonylContact C-O 3.57Å; Y528-L763 VanDerWaalsContact CA-O 3.22Å; Y528-L763 WeakPolarHBondContact CA-O 3.16Å; I529-L763 HydrophobicContact CB-CB 4.28Å; I529-L763 PolarHBondContact N-O 3.11Å; I529-L763 PolarHBondContact O-N 3.05Å; Q531-L763 HydrophobicContact CG-CD1 4.34Å; Q531-L763 HydrophobicContact CG-CG 3.89Å
764	R	94.1	Very high	86.9	Confident	141 Å²	141	58.3 Å²	58.3	53%	0.532	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.3	172.1	-170.4	178	-172	-157	-4.4	108.8	R524 G525 Y528	R524-R764 PolarHBondContact O-NH2 3.3Å; G525-R764 PolarHBondContact O-NE 3.06Å; Y528-R764 HydrophobicContact CD1-CB 4Å; Y528-R764 HydrophobicContact CD1-CG 4.13Å; Y528-R764 HydrophobicContact CE1-CB 3.95Å; Y528-R764 HydrophobicContact CE1-CG 3.76Å
765	V	94.2	Very high	86.7	Confident	27 Å²	27	59.9 Å²	59.9	16%	0.164	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-79.7	130.7	178.7	-176.7	0	0	0	0	109	L511 V522 V527 I529	L511-V765 HydrophobicContact CD2-CB 4.44Å; L511-V765 HydrophobicContact CD2-CG1 3.86Å; L511-V765 HydrophobicContact CD2-CG2 3.75Å; V522-V765 HydrophobicContact CG1-CB 4.37Å; V522-V765 HydrophobicContact CG1-CG1 3.79Å; V527-V765 HydrophobicContact CB-CB 4.2Å; V527-V765 HydrophobicContact CB-CG2 4.3Å; V527-V765 HydrophobicContact CG1-CB 4.31Å; V527-V765 HydrophobicContact CG1-CG2 3.92Å; V527-V765 PolarHBondContact O-N 2.78Å; I529-V765 HydrophobicContact CD1-CG2 3.87Å; I529-V765 HydrophobicContact CG1-CG2 3.98Å
766	T	87.9	Confident	86.5	Confident	82 Å²	82	63.5 Å²	63.5	50%	0.503	33%	0.327	S	S	.	.			trans	-138.2	150.5	179.7	60	0	0	0	0	110.5
767	V	84	Confident	86.3	Confident	51 Å²	51	63.8 Å²	63.8	31%	0.309	33%	0.327	S	S	.	.			trans	-107.2	105.7	173.9	-179.4	0	0	0	0	109.1	Y515 V522 A770 A773	Y515-V767 HydrophobicContact CD2-CG2 3.86Å; Y515-V767 HydrophobicContact CE2-CG1 4.03Å; Y515-V767 HydrophobicContact CE2-CG2 3.85Å; V522-V767 HydrophobicContact CG1-CG2 3.97Å; V767-A770 HydrophobicContact CG1-CB 4.21Å; V767-A773 HydrophobicContact CG1-CB 4.26Å
768	K	74.5	Confident	86.1	Confident	115 Å²	115	61.1 Å²	61.1	50%	0.5	31%	0.31	S	S	.	.	S	Bend	trans	-84.4	-43.8	178.9	-61.3	-168.6	-178.8	-163.3	0	112.2	E183	E183-K768 IonicContact OE1-NZ 2.89Å; E183-K768 PolarHBondContact OE1-NZ 2.91Å; E183-K768 VanDerWaalsContact OE2-CD 3.25Å; E183-K768 WeakPolarHBondContact OE2-CD 3.28Å; E183-K768 WeakPolarHBondContact OE2-CE 3.26Å; E183-K768 IonicContact OE2-NZ 2.74Å; E183-K768 PolarHBondContact OE2-NZ 3.01Å
769	D	76.1	Confident	86	Confident	22 Å²	22	52.9 Å²	52.9	12%	0.118	27%	0.273	C	S	.	.			trans	-125.9	103.9	174.4	-178.8	-0.2	0	0	0	110.4	K189 I771 A772 A773	K189-D769 WeakPolarHBondContact CB-OD2 3.12Å; K189-D769 HydrophobicContact CD-CB 3.97Å; K189-D769 WeakPolarHBondContact CD-OD1 3.39Å; K189-D769 WeakPolarHBondContact CE-OD1 3.47Å; K189-D769 HydrophobicContact CG-CB 4.44Å; K189-D769 VanDerWaalsContact CG-CG 3.47Å; K189-D769 WeakPolarHBondContact CG-OD1 3.38Å; K189-D769 WeakPolarHBondContact CG-OD2 3.22Å; K189-D769 IonicContact NZ-OD1 2.86Å; D769-I771 VanDerWaalsContact C-N 3.3Å; D769-I771 PolarHBondContact O-N 3.06Å; D769-I771 WeakPolarHBondContact OD1-CA 3.18Å; D769-I771 WeakPolarHBondContact OD1-CB 3.47Å; D769-I771 PolarHBondContact OD1-N 2.95Å; D769-A772 HydrophobicContact CB-CB 3.97Å; D769-A772 PolarHBondContact OD1-N 2.9Å; D769-A772 WeakPolarHBondContact OD2-CB 3.37Å; D769-A772 PolarHBondContact OD2-N 3.28Å; D769-A773 WeakPolarHBondContact O-CB 3.38Å; D769-A773 PolarHBondContact O-N 3.43Å
770	A	78.4	Confident	86.3	Confident	41 Å²	41	52.7 Å²	52.7	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-29.8	176.2	0	0	0	0	0	113.7	Y515 V767 D774	Y515-A770 PolarHBondContact OH-O 3.27Å; V767-A770 HydrophobicContact CG1-CB 4.21Å; A770-D774 WeakPolarHBondContact O-CB 3.48Å; A770-D774 PolarHBondContact O-N 3.04Å
771	I	78.3	Confident	86.4	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-73.5	-51.2	179	-64.5	171.1	0	0	0	109.4	E193 F225 Y228 L229 Y267 D769 A773 D774 Q775	E193-I771 HydrophobicContact CG-CD1 4.32Å; F225-I771 HydrophobicContact CE2-CD1 4.45Å; F225-I771 HydrophobicContact CZ-CD1 4.16Å; Y228-I771 HydrophobicContact CE1-CG2 4.25Å; L229-I771 HydrophobicContact CD2-CD1 4.39Å; L229-I771 HydrophobicContact CD2-CG1 4.29Å; L229-I771 HydrophobicContact CD2-CG2 3.87Å; Y267-I771 HydrophobicContact CD1-CD1 4.41Å; Y267-I771 HydrophobicContact CE1-CD1 3.89Å; Y267-I771 HydrophobicContact CE1-CG1 3.65Å; D769-I771 VanDerWaalsContact C-N 3.3Å; D769-I771 PolarHBondContact O-N 3.06Å; D769-I771 WeakPolarHBondContact OD1-CA 3.18Å; D769-I771 WeakPolarHBondContact OD1-CB 3.47Å; D769-I771 PolarHBondContact OD1-N 2.95Å; I771-A773 VanDerWaalsContact C-N 3.32Å; I771-A773 PolarHBondContact O-N 2.61Å; I771-D774 PolarHBondContact O-N 2.87Å; I771-Q775 WeakPolarHBondContact O-CG 3.44Å; I771-Q775 PolarHBondContact O-N 2.91Å
772	A	81.9	Confident	86.5	Confident	42 Å²	42	44 Å²	44	35%	0.347	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-39.7	176	0	0	0	0	0	111.7	D769 Q775 L776	D769-A772 HydrophobicContact CB-CB 3.97Å; D769-A772 PolarHBondContact OD1-N 2.9Å; D769-A772 WeakPolarHBondContact OD2-CB 3.37Å; D769-A772 PolarHBondContact OD2-N 3.28Å; A772-Q775 PolarHBondContact O-N 3.39Å; A772-L776 WeakPolarHBondContact O-CB 3.47Å; A772-L776 PolarHBondContact O-N 3.4Å
773	A	86.1	Confident	86.2	Confident	18 Å²	18	46.9 Å²	46.9	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-46.9	174.5	0	0	0	0	0	111.5	Y515 V767 D769 I771 Q775 L776 F777	Y515-A773 HydrophobicContact CE2-CB 4.05Å; V767-A773 HydrophobicContact CG1-CB 4.26Å; D769-A773 WeakPolarHBondContact O-CB 3.38Å; D769-A773 PolarHBondContact O-N 3.43Å; I771-A773 VanDerWaalsContact C-N 3.32Å; I771-A773 PolarHBondContact O-N 2.61Å; A773-Q775 PolarHBondContact O-N 2.93Å; A773-L776 PolarHBondContact O-N 2.89Å; A773-F777 HydrophobicContact CB-CD2 4.48Å; A773-F777 WeakPolarHBondContact O-CB 3.18Å; A773-F777 WeakPolarHBondContact O-CD2 3.34Å; A773-F777 PolarHBondContact O-N 3.37Å
774	D	85.4	Confident	85.7	Confident	4 Å²	4	45 Å²	45	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-56.7	-48.3	174.9	180	47.8	0	0	0	111.2	K233 N265 Y515 R516 A770 I771 L776 T778	K233-D774 IonicContact NZ-OD1 3.51Å; K233-D774 PolarHBondContact NZ-OD1 3.05Å; K233-D774 IonicContact NZ-OD2 2.77Å; K233-D774 PolarHBondContact NZ-OD2 3.33Å; N265-D774 PolarHBondContact ND2-OD2 3.25Å; Y515-D774 PolarHBondContact OH-N 2.93Å; R516-D774 IonicContact CZ-OD1 2.65Å; R516-D774 VanDerWaalsContact CZ-OD1 3.24Å; R516-D774 IonicContact NH1-OD1 3.14Å; R516-D774 PolarHBondContact NH1-OD1 3.34Å; R516-D774 PolarHBondContact NH2-O 3.03Å; R516-D774 IonicContact NH2-OD1 2.68Å; R516-D774 PolarHBondContact NH2-OD1 3.12Å; A770-D774 WeakPolarHBondContact O-CB 3.48Å; A770-D774 PolarHBondContact O-N 3.04Å; I771-D774 PolarHBondContact O-N 2.87Å; D774-L776 PolarHBondContact O-N 3.32Å; D774-T778 VanDerWaalsContact O-CB 3.27Å; D774-T778 WeakPolarHBondContact O-CB 3.47Å; D774-T778 PolarHBondContact O-N 3.35Å; D774-T778 PolarHBondContact O-OG1 3.37Å
775	Q	84.8	Confident	85.4	Confident	33 Å²	33	42.1 Å²	42.1	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-43	177.6	-74.6	-177.8	-8.8	0	0	112.1	Y228 N232 I771 A772 A773 T778 T779	Y228-Q775 PolarHBondContact O-NE2 2.88Å; Y228-Q775 PolarHBondContact OH-NE2 3.19Å; Y228-Q775 PolarHBondContact OH-OE1 3.01Å; N232-Q775 PolarHBondContact ND2-O 3.46Å; I771-Q775 WeakPolarHBondContact O-CG 3.44Å; I771-Q775 PolarHBondContact O-N 2.91Å; A772-Q775 PolarHBondContact O-N 3.39Å; A773-Q775 PolarHBondContact O-N 2.93Å; Q775-T778 PolarHBondContact O-N 2.61Å; Q775-T779 WeakPolarHBondContact O-CB 3.03Å; Q775-T779 PolarHBondContact O-N 3.29Å; Q775-T779 PolarHBondContact O-OG1 3.33Å
776	L	89.4	Confident	85.1	Confident	76 Å²	76	46.5 Å²	46.5	40%	0.398	27%	0.266	S	S	.	.	H	α-helix	trans	-64.8	-49.3	179.6	-176.5	66.9	0	0	0	111.4	A772 A773 D774 T778 T779 L780 F791	A772-L776 WeakPolarHBondContact O-CB 3.47Å; A772-L776 PolarHBondContact O-N 3.4Å; A773-L776 PolarHBondContact O-N 2.89Å; D774-L776 PolarHBondContact O-N 3.32Å; L776-T778 VanDerWaalsContact C-N 3.31Å; L776-T778 PolarHBondContact O-N 2.92Å; L776-T779 PolarHBondContact O-N 3.44Å; L776-L780 HydrophobicContact CD1-CD1 3.68Å; L776-L780 HydrophobicContact CD1-CG 4.02Å; L776-L780 HydrophobicContact CG-CD1 3.91Å; L776-L780 HydrophobicContact CG-CG 4.42Å; L776-L780 WeakPolarHBondContact O-CB 3.38Å; L776-L780 WeakPolarHBondContact O-CG 3.45Å; L776-L780 PolarHBondContact O-N 2.96Å; L776-F791 HydrophobicContact CD1-CE2 3.68Å; L776-F791 HydrophobicContact CD1-CZ 3.71Å
777	F	90.7	Very high	85.1	Confident	36 Å²	36	44.7 Å²	44.7	16%	0.158	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-42.1	174.7	-81.5	-68	0	0	0	110.9	L511 T512 Y515 A773 M781	L511-F777 HydrophobicContact CB-CE1 4.32Å; L511-F777 HydrophobicContact CB-CZ 4.22Å; T512-F777 HydrophobicContact CG2-CD1 4.1Å; T512-F777 WeakPolarHBondContact OG1-CD1 3.5Å; T512-F777 WeakPolarHBondContact OG1-CE1 3.22Å; Y515-F777 AromaticContact CD1-CD2 3.27Å; Y515-F777 HydrophobicContact CD1-CD2 3.27Å; Y515-F777 AromaticContact CD1-CE2 3.55Å; Y515-F777 HydrophobicContact CD1-CE2 3.55Å; Y515-F777 AromaticContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CZ 4.42Å; Y515-F777 HydrophobicContact CD2-CD2 4.47Å; Y515-F777 HydrophobicContact CD2-CE2 4.04Å; Y515-F777 AromaticContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CE2 4.1Å; Y515-F777 HydrophobicContact CE1-CG 4.37Å; Y515-F777 AromaticContact CG-CD2 3.78Å; Y515-F777 HydrophobicContact CG-CD2 3.78Å; Y515-F777 AromaticContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CZ 4.22Å; A773-F777 HydrophobicContact CB-CD2 4.48Å; A773-F777 WeakPolarHBondContact O-CB 3.18Å; A773-F777 WeakPolarHBondContact O-CD2 3.34Å; A773-F777 PolarHBondContact O-N 3.37Å; F777-M781 HydrophobicContact CD1-CG 4.29Å; F777-M781 VanDerWaalsContact O-CA 3.31Å; F777-M781 WeakPolarHBondContact O-CA 3.2Å; F777-M781 WeakPolarHBondContact O-CB 3.35Å; F777-M781 PolarHBondContact O-N 2.97Å
778	T	87.3	Confident	85.3	Confident	10 Å²	10	45.3 Å²	45.3	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-42.9	177.4	-50.8	0	0	0	0	111.6	N232 K233 R516 D774 Q775 L776 G782	N232-T778 HydrophobicContact CB-CG2 3.67Å; N232-T778 WeakPolarHBondContact O-CG2 3.39Å; K233-T778 HydrophobicContact CG-CG2 4.04Å; R516-T778 PolarHBondContact NH2-OG1 3.37Å; R516-T778 VanDerWaalsContact NH2-OG1 3.1Å; D774-T778 VanDerWaalsContact O-CB 3.27Å; D774-T778 WeakPolarHBondContact O-CB 3.47Å; D774-T778 PolarHBondContact O-N 3.35Å; D774-T778 PolarHBondContact O-OG1 3.37Å; Q775-T778 PolarHBondContact O-N 2.61Å; L776-T778 VanDerWaalsContact C-N 3.31Å; L776-T778 PolarHBondContact O-N 2.92Å; T778-G782 WeakPolarHBondContact O-CA 3.48Å; T778-G782 PolarHBondContact O-N 3.12Å
779	T	89.6	Confident	86	Confident	16 Å²	16	45.1 Å²	45.1	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-50.9	177.4	-63.9	0	0	0	0	111.8	N232 Q775 L776 P787 R788 F791	N232-T779 PolarHBondContact ND2-OG1 3.5Å; Q775-T779 WeakPolarHBondContact O-CB 3.03Å; Q775-T779 PolarHBondContact O-N 3.29Å; Q775-T779 PolarHBondContact O-OG1 3.33Å; L776-T779 PolarHBondContact O-N 3.44Å; T779-P787 HydrophobicContact CG2-CB 4.2Å; T779-R788 WeakPolarHBondContact O-CB 3.27Å; T779-R788 PolarHBondContact O-NE 2.91Å; T779-F791 HydrophobicContact CG2-CB 4.01Å; T779-F791 HydrophobicContact CG2-CG 4.44Å
780	L	91.8	Very high	86.5	Confident	52 Å²	52	45.9 Å²	45.9	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-76	-37.4	-174.5	-64.1	-177.6	0	0	0	112	L776 R788 F791	L776-L780 HydrophobicContact CD1-CD1 3.68Å; L776-L780 HydrophobicContact CD1-CG 4.02Å; L776-L780 HydrophobicContact CG-CD1 3.91Å; L776-L780 HydrophobicContact CG-CG 4.42Å; L776-L780 WeakPolarHBondContact O-CB 3.38Å; L776-L780 WeakPolarHBondContact O-CG 3.45Å; L776-L780 PolarHBondContact O-N 2.96Å; L780-R788 PolarHBondContact O-NE 3.48Å; L780-R788 PolarHBondContact O-NH2 3.19Å; L780-F791 HydrophobicContact CD2-CD1 3.62Å; L780-F791 HydrophobicContact CD2-CE1 3.83Å; L780-F791 HydrophobicContact CD2-CG 4.23Å
781	M	91.4	Very high	86.9	Confident	13 Å²	13	47.3 Å²	47.3	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-111.7	-16.8	-169.1	-51.7	-56.3	-71.9	0	0	113.7	N452 E454 K455 T508 L509 T512 F777	N452-M781 PolarHBondContact ND2-O 2.86Å; E454-M781 HydrophobicContact CB-CB 3.81Å; E454-M781 HydrophobicContact CG-CB 4.02Å; K455-M781 WeakPolarHBondContact CE-O 3.45Å; K455-M781 VanDerWaalsContact CG-O 3.25Å; K455-M781 WeakPolarHBondContact CG-O 3.39Å; T508-M781 HydrophobicContact CG2-CE 4.12Å; T508-M781 HydrophobicContact CG2-CG 4.46Å; T508-M781 HydrophobicContact CG2-SD 3.61Å; L509-M781 HydrophobicContact CD2-CE 3.41Å; L509-M781 VanDerWaalsContact CD2-CE 3.41Å; L509-M781 HydrophobicContact CG-CE 4.05Å; T512-M781 HydrophobicContact CG2-CB 4.22Å; T512-M781 HydrophobicContact CG2-CG 4.26Å; T512-M781 WeakPolarHBondContact OG1-CG 3.42Å; F777-M781 HydrophobicContact CD1-CG 4.29Å; F777-M781 VanDerWaalsContact O-CA 3.31Å; F777-M781 WeakPolarHBondContact O-CA 3.2Å; F777-M781 WeakPolarHBondContact O-CB 3.35Å; F777-M781 PolarHBondContact O-N 2.97Å
782	G	87	Confident	87.2	Confident	5 Å²	5	51.6 Å²	51.6	5%	0.052	28%	0.279	C	S	.	.	S	Bend	trans	-77.3	177.8	-179.9	0	0	0	0	0	114.4	K455 T778 R788	K455-G782 WeakPolarHBondContact CE-O 3.07Å; K455-G782 PolarHBondContact NZ-O 3.01Å; K455-G782 VanDerWaalsContact NZ-O 3.15Å; T778-G782 WeakPolarHBondContact O-CA 3.48Å; T778-G782 PolarHBondContact O-N 3.12Å; G782-R788 PolarHBondContact O-NH2 3.33Å
783	D	84.6	Confident	87.3	Confident	107 Å²	107	55.8 Å²	55.8	57%	0.572	29%	0.291	S	S	*	.	S	Bend	trans	-75.6	-24.8	-170.4	-78.5	-36.1	0	0	0	115	K455 V785	K455-D783 WeakPolarHBondContact CD-OD1 3.32Å; K455-D783 VanDerWaalsContact CE-OD1 3.23Å; K455-D783 WeakPolarHBondContact CE-OD1 3.48Å; K455-D783 WeakPolarHBondContact CG-OD1 3.3Å; K455-D783 IonicContact NZ-OD1 3.68Å; K455-D783 PolarHBondContact NZ-OD1 3.18Å; K455-D783 VanDerWaalsContact NZ-OD1 3.15Å; D783-V785 PolarHBondContact O-N 2.97Å
784	A	83.2	Confident	87	Confident	46 Å²	46	61.4 Å²	61.4	38%	0.38	31%	0.314	S	S	.	.			trans	-67.4	122.8	179.5	0	0	0	0	0	111.9	P787	A784-P787 HydrophobicContact CB-CG 3.96Å
785	V	87.8	Confident	86.7	Confident	81 Å²	81	63.6 Å²	63.6	49%	0.491	33%	0.326	S	S	.	.	S	Bend	trans	-85	-40.8	-178.8	178.2	0	0	0	0	112	D783 R788 R789	D783-V785 PolarHBondContact O-N 2.97Å; V785-R788 WeakPolarHBondContact O-CB 3.46Å; V785-R788 PolarHBondContact O-N 2.99Å; V785-R789 PolarHBondContact O-N 2.94Å
786	E	87.8	Confident	86	Confident	120 Å²	120	63.6 Å²	63.6	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-62.8	-47.4	-174.5	-61.8	-55.4	137.5	0	0	113.9	R788 R789 A790	E786-R788 PolarHBondContact O-N 2.87Å; E786-R789 PolarHBondContact O-N 3.09Å; E786-R789 VanDerWaalsContact O-N 3.11Å; E786-R789 IonicContact OE1-CZ 3.68Å; E786-R789 IonicContact OE1-NH1 3.4Å; E786-R789 PolarHBondContact OE1-NH1 3.38Å; E786-R789 IonicContact OE2-CZ 2.81Å; E786-R789 IonicContact OE2-NH1 2.67Å; E786-R789 PolarHBondContact OE2-NH1 2.99Å; E786-A790 PolarHBondContact O-N 3.31Å
787	P	86.8	Confident	84.8	Confident	44 Å²	44	68.3 Å²	68.3	29%	0.286	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-35.1	177.8	-22.9	34.8	0	0	0	112.4	T779 A784 F791	T779-P787 HydrophobicContact CG2-CB 4.2Å; A784-P787 HydrophobicContact CB-CG 3.96Å; P787-F791 WeakPolarHBondContact O-CB 3.45Å; P787-F791 PolarHBondContact O-N 3.3Å
788	R	89.5	Confident	83.2	Confident	63 Å²	63	74.3 Å²	74.3	24%	0.238	38%	0.382	C	S	.	.	H	α-helix	trans	-66.7	-43.3	175.7	-168.8	-171.6	-58.2	-176.6	-12.1	111.8	T779 L780 G782 V785 E786 F791 I792	T779-R788 WeakPolarHBondContact O-CB 3.27Å; T779-R788 PolarHBondContact O-NE 2.91Å; L780-R788 PolarHBondContact O-NE 3.48Å; L780-R788 PolarHBondContact O-NH2 3.19Å; G782-R788 PolarHBondContact O-NH2 3.33Å; V785-R788 WeakPolarHBondContact O-CB 3.46Å; V785-R788 PolarHBondContact O-N 2.99Å; E786-R788 PolarHBondContact O-N 2.87Å; R788-F791 PolarHBondContact O-N 3.44Å; R788-I792 HydrophobicContact CG-CD1 4.15Å; R788-I792 VanDerWaalsContact O-CG1 3.3Å; R788-I792 WeakPolarHBondContact O-CG1 3.33Å; R788-I792 PolarHBondContact O-N 3.38Å
789	R	88.1	Confident	81.6	Confident	111 Å²	111	76.3 Å²	76.3	42%	0.419	40%	0.4	S	S	.	.	H	α-helix	trans	-60.4	-49.5	177	-177.3	-178	-66.4	130.3	1.4	110.5	V785 E786 F791 I792 E793	V785-R789 PolarHBondContact O-N 2.94Å; E786-R789 PolarHBondContact O-N 3.09Å; E786-R789 VanDerWaalsContact O-N 3.11Å; E786-R789 IonicContact OE1-CZ 3.68Å; E786-R789 IonicContact OE1-NH1 3.4Å; E786-R789 PolarHBondContact OE1-NH1 3.38Å; E786-R789 IonicContact OE2-CZ 2.81Å; E786-R789 IonicContact OE2-NH1 2.67Å; E786-R789 PolarHBondContact OE2-NH1 2.99Å; R789-F791 VanDerWaalsContact C-N 3.33Å; R789-F791 PolarHBondContact O-N 3.16Å; R789-I792 PolarHBondContact O-N 3.08Å; R789-I792 VanDerWaalsContact O-N 3.1Å; R789-E793 WeakPolarHBondContact CD-OE1 3.3Å; R789-E793 HydrophobicContact CG-CG 4.42Å; R789-E793 WeakPolarHBondContact CG-OE1 3.2Å; R789-E793 WeakPolarHBondContact O-CG 3.45Å; R789-E793 PolarHBondContact O-N 3.35Å
790	A	86.9	Confident	79.6	Confident	38 Å²	38	80.2 Å²	80.2	31%	0.314	43%	0.434	S	S	.	.	H	α-helix	trans	-57.3	-45.7	176.7	0	0	0	0	0	111.9	E786 I792 E793 E794	E786-A790 PolarHBondContact O-N 3.31Å; A790-I792 VanDerWaalsContact C-N 3.3Å; A790-I792 PolarHBondContact O-N 2.85Å; A790-E793 PolarHBondContact O-N 3.11Å; A790-E794 WeakPolarHBondContact O-CB 3.45Å; A790-E794 WeakPolarHBondContact O-CG 3.43Å; A790-E794 PolarHBondContact O-N 2.95Å
791	F	86.3	Confident	77.3	Confident	71 Å²	71	84.5 Å²	84.5	31%	0.311	46%	0.457	S	S	.	.	H	α-helix	trans	-58.1	-41.8	175.8	-176.8	-83.8	0	0	0	112.5	L776 T779 L780 P787 R788 R789 N795	L776-F791 HydrophobicContact CD1-CE2 3.68Å; L776-F791 HydrophobicContact CD1-CZ 3.71Å; T779-F791 HydrophobicContact CG2-CB 4.01Å; T779-F791 HydrophobicContact CG2-CG 4.44Å; L780-F791 HydrophobicContact CD2-CD1 3.62Å; L780-F791 HydrophobicContact CD2-CE1 3.83Å; L780-F791 HydrophobicContact CD2-CG 4.23Å; P787-F791 WeakPolarHBondContact O-CB 3.45Å; P787-F791 PolarHBondContact O-N 3.3Å; R788-F791 PolarHBondContact O-N 3.44Å; R789-F791 VanDerWaalsContact C-N 3.33Å; R789-F791 PolarHBondContact O-N 3.16Å; F791-N795 WeakPolarHBondContact O-CB 3.35Å; F791-N795 PolarHBondContact O-N 3.2Å; F791-N795 PolarHBondContact O-ND2 3.33Å
792	I	85.5	Confident	74.8	Confident	98 Å²	98	88.4 Å²	88.4	50%	0.503	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-46.5	177.7	-67.4	164.3	0	0	0	110.2	R788 R789 A790 E794 N795 A796	R788-I792 HydrophobicContact CG-CD1 4.15Å; R788-I792 VanDerWaalsContact O-CG1 3.3Å; R788-I792 WeakPolarHBondContact O-CG1 3.33Å; R788-I792 PolarHBondContact O-N 3.38Å; R789-I792 PolarHBondContact O-N 3.08Å; R789-I792 VanDerWaalsContact O-N 3.1Å; A790-I792 VanDerWaalsContact C-N 3.3Å; A790-I792 PolarHBondContact O-N 2.85Å; I792-E794 PolarHBondContact O-N 2.76Å; I792-N795 PolarHBondContact O-N 3.29Å; I792-A796 WeakPolarHBondContact O-CA 3.18Å; I792-A796 WeakPolarHBondContact O-CB 3.29Å; I792-A796 PolarHBondContact O-N 3.26Å
793	E	84.4	Confident	72.4	Confident	130 Å²	130	95 Å²	95	61%	0.607	51%	0.511	S	S	*	.	H	α-helix	trans	-60.6	-42.1	179.7	-71.8	171.4	179.8	0	0	112.2	R789 A790 N795	R789-E793 WeakPolarHBondContact CD-OE1 3.3Å; R789-E793 HydrophobicContact CG-CG 4.42Å; R789-E793 WeakPolarHBondContact CG-OE1 3.2Å; R789-E793 WeakPolarHBondContact O-CG 3.45Å; R789-E793 PolarHBondContact O-N 3.35Å; A790-E793 PolarHBondContact O-N 3.11Å; E793-N795 VanDerWaalsContact C-N 3.34Å; E793-N795 PolarHBondContact O-N 3.42Å
794	E	79.9	Confident	69.9	Low	136 Å²	136	100.7 Å²	100.7	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-69.3	-27.9	178.8	-72.6	173.4	-175.3	0	0	113.8	A790 I792	A790-E794 WeakPolarHBondContact O-CB 3.45Å; A790-E794 WeakPolarHBondContact O-CG 3.43Å; A790-E794 PolarHBondContact O-N 2.95Å; I792-E794 PolarHBondContact O-N 2.76Å
795	N	77.5	Confident	69.3	Low	49 Å²	49	103.4 Å²	103.4	26%	0.262	55%	0.547	S	S	.	.	H	α-helix	trans	-110.9	-11.8	-173.1	-66	-74.8	0	0	0	114.2	F791 I792 E793 L797 K798 A799	F791-N795 WeakPolarHBondContact O-CB 3.35Å; F791-N795 PolarHBondContact O-N 3.2Å; F791-N795 PolarHBondContact O-ND2 3.33Å; I792-N795 PolarHBondContact O-N 3.29Å; E793-N795 VanDerWaalsContact C-N 3.34Å; E793-N795 PolarHBondContact O-N 3.42Å; N795-L797 VanDerWaalsContact C-N 3.33Å; N795-L797 PolarHBondContact O-N 3.34Å; N795-K798 WeakPolarHBondContact O-CB 3.48Å; N795-K798 PolarHBondContact O-N 2.97Å; N795-A799 PolarHBondContact O-N 3.42Å
796	A	71.4	Confident	68.3	Low	34 Å²	34	104.6 Å²	104.6	28%	0.281	55%	0.55	S	S	.	.	H	α-helix	trans	-56.9	-44.7	-178.7	0	0	0	0	0	111.9	I792 K798 A799 I802	I792-A796 WeakPolarHBondContact O-CA 3.18Å; I792-A796 WeakPolarHBondContact O-CB 3.29Å; I792-A796 PolarHBondContact O-N 3.26Å; A796-K798 PolarHBondContact O-N 3.31Å; A796-A799 WeakPolarHBondContact O-CB 3.28Å; A796-A799 PolarHBondContact O-N 2.85Å; A796-A799 VanDerWaalsContact O-N 3.09Å; A796-I802 HydrophobicContact CB-CD1 4.15Å; A796-I802 WeakPolarHBondContact O-CD1 3.4Å
797	L	62.5	Low	67.2	Low	175 Å²	175	103.7 Å²	103.7	92%	0.916	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.9	179.6	-65.1	173.5	0	0	0	113.7	N795	N795-L797 VanDerWaalsContact C-N 3.33Å; N795-L797 PolarHBondContact O-N 3.34Å
798	K	59.2	Low	66.1	Low	162 Å²	162	107.2 Å²	107.2	70%	0.704	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-16.5	176	-60.9	175.9	-174.4	166.9	0	112.3	N795 A796 A800	N795-K798 WeakPolarHBondContact O-CB 3.48Å; N795-K798 PolarHBondContact O-N 2.97Å; A796-K798 PolarHBondContact O-N 3.31Å; K798-A800 PolarHBondContact O-N 3.48Å
799	A	52.1	Low	64.6	Low	52 Å²	52	110 Å²	110	43%	0.43	59%	0.585	S	S	.	*			trans	-79.2	112.3	-179.7	0	0	0	0	0	110.1	N795 A796 N801 I802	N795-A799 PolarHBondContact O-N 3.42Å; A796-A799 WeakPolarHBondContact O-CB 3.28Å; A796-A799 PolarHBondContact O-N 2.85Å; A796-A799 VanDerWaalsContact O-N 3.09Å; A799-N801 PolarHBondContact O-N 3.11Å; A799-I802 HydrophobicContact CB-CD1 4.09Å; A799-I802 HydrophobicContact CB-CG1 3.75Å
800	A	47.4	Very low	63	Low	98 Å²	98	109.9 Å²	109.9	81%	0.81	60%	0.596	S	S	*	*	S	Bend	trans	-70.6	-16.4	-179.5	0	0	0	0	0	114	K798	K798-A800 PolarHBondContact O-N 3.48Å
801	N	43.4	Very low	61.3	Low	141 Å²	141	115.1 Å²	115.1	75%	0.754	62%	0.616	S	S	*	*			trans	-131.8	62.6	-174.5	-67.4	-28	0	0	0	111.2	A799 D803	A799-N801 PolarHBondContact O-N 3.11Å; N801-D803 PolarHBondContact O-N 3.43Å
802	I	39.3	Very low	59.4	Low	96 Å²	96	118.5 Å²	118.5	49%	0.492	64%	0.64	S	S	.	*			trans	-82.6	105	163.7	-59	177.7	0	0	0	106.3	A796 A799 I804	A796-I802 HydrophobicContact CB-CD1 4.15Å; A796-I802 WeakPolarHBondContact O-CD1 3.4Å; A799-I802 HydrophobicContact CB-CD1 4.09Å; A799-I802 HydrophobicContact CB-CG1 3.75Å; I802-I804 HydrophobicContact CG2-CG1 4.44Å; I802-I804 PolarHBondContact O-N 3.14Å
803	D	37.9	Very low	57.2	Low	142 Å²	142	120.2 Å²	120.2	76%	0.759	65%	0.651	S	S	*	*			trans	-62.9	114.1	162.1	-89.6	-23.8	0	0	0	107.1	N801	N801-D803 PolarHBondContact O-N 3.43Å
804	I	31.9	Very low	54.8	Low	227 Å²	227	119.3 Å²	119.3	100%	1.164	66%	0.655	S	S	*	*			trans	-84	0	173.4	-58.9	170.5	0	0	0	109.5	I802	I802-I804 HydrophobicContact CG2-CG1 4.44Å; I802-I804 PolarHBondContact O-N 3.14Å

Retrieved 804 of 804 residues in 748.5 ms (Link to these results)

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