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Ephrin type-B receptor 4

Receptor tyrosine kinase which binds promiscuously transmembrane ephrin-B family ligands residing on adjacent cells, leading to contact-dependent bidirectional signaling into neighboring cells. The signaling pathway downstream of the receptor is referred to as forward signaling while the signaling pathway downstream of the ephrin ligand is referred to as reverse signaling. Together with its cognate ligand/functional ligand EFNB2 it is involved in the regulation of cell adhesion and migration, and plays a central role in heart morphogenesis, angiogenesis and blood vessel remodeling and permeability. EPHB4-mediated forward signaling controls cellular repulsion and segregation from EFNB2-expressing cells.

AlphaFold DB , UniProt , Accession A0A096N812, Species PAPAN (Papio anubis, Olive baboon), Gene EPHB4, Length 987 aa.

						>A0A096N812_PAPAN|A0A096N812|EPHB4
MELRALLCWASLAAALEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVCDVQRAPGQAHWLRTGWVPRRGAVHVYATLRFTMLECLSLPRAGRSCKETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGACMALLSLHLFYKKCAQLTVNLTRFPETVPRELVVPVAGSCVVDAVPAPGPSPSLYCREDGQWAEQPVTGCSCAAGFEAAEGNTKCRACAQGTFKPLSGEGSCQPCPANSHSNNIGSAVCQCRIGYFRARTDPRGAPCTTPPSAPRSVVSRLNGSSLHLEWSAPLESGGREDLTYALRCRECRPGGSCAPCGGDLTFDPGPRDLVEPWVVVRGLRPDFTYTFEVTALNGVSSLATGPVPFEPVNVTTDREVPPAVSDIRVTRSSPSSLSLAWAVPRAPSGAVLDYEVKYHEKGAEGPSSVRFLKTSENRAELRGLKRGASYLVQVRARSEAGYGPFGQEHHSQTQLDENEGWREQLALIAGTAVVGVVLVLVVIVVAVLCLRKQSNGREAEYSDKHGQYLIGHGTKVYIDPFTYEDPNEAVREFAKEIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLKGGYTERQRREFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRLNDGQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVSDFGLSRFLEENSSDPTYTSSLGGKIPIRWTAPEAIAFRKFTSASDAWSYGIVMWEVMSFGERPYWDMSNQDVINAIEQDYRLPPPPDCPTSLHQLMLDCWQKDRNARPRFPQVVSALDKMIRNPASLKIVARENGGASHPLLDQRQPHYSAFGSVGEWLRAIKMGRYEESFAAAGFGSFELVSQISAEDLLRIGVTLAGHQKKILASVQHMKSQAKPGAPGGTGGPTPQY
					

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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	37.9	Very low	34.8	Very low	233 Å²	233	139.9 Å²	139.9	100%	1.148	72%	0.722	S	S	*	*				0	23.3	0	-136.2	166.5	85.9	0	0	111.9
2	E	40.4	Very low	35.9	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.743	72%	0.715	S	S	*	*			trans	-111.6	-17.5	-172.7	-68.3	-161.5	148.2	0	0	114.8
3	L	32.2	Very low	37.3	Very low	140 Å²	140	129.8 Å²	129.8	73%	0.733	68%	0.677	S	S	*	*	H	α-helix	trans	-75.3	-27.6	177.5	-105.2	83.2	0	0	0	114.2	L7	L3-L7 PolarHBondContact O-N 2.72Å
4	R	30.9	Very low	38.7	Very low	222 Å²	222	126.4 Å²	126.4	84%	0.838	68%	0.677	S	S	*	*	H	α-helix	trans	-75.4	-25.3	177.8	-88.3	-174.7	171.7	177.4	-2.6	113.1	C8	R4-C8 PolarHBondContact O-N 3.22Å; R4-C8 PolarHBondContact O-SG 3.32Å; R4-C8 VanDerWaalsContact O-SG 3.37Å
5	A	34.3	Very low	40.7	Very low	51 Å²	51	119.7 Å²	119.7	42%	0.421	65%	0.646	S	S	.	*	H	α-helix	trans	-75.3	-41.7	175.9	0	0	0	0	0	111.2	L7 C8 W9	A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 3.44Å; A5-C8 PolarHBondContact O-N 3.42Å; A5-W9 PolarHBondContact O-N 3.02Å; A5-W9 VanDerWaalsContact O-N 3.13Å
6	L	34.3	Very low	43.4	Very low	128 Å²	128	116.3 Å²	116.3	67%	0.67	63%	0.627	S	S	*	*	H	α-helix	trans	-61.8	-36.2	175.3	-87.5	149.3	0	0	0	113.2	A10	L6-A10 PolarHBondContact O-N 2.99Å
7	L	33.6	Very low	46.1	Very low	130 Å²	130	115 Å²	115	68%	0.681	62%	0.616	S	S	*	*	H	α-helix	trans	-74.8	-27.2	176.6	-81.7	156.6	0	0	0	114	L3 A5	L3-L7 PolarHBondContact O-N 2.72Å; A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 3.44Å
8	C	32.5	Very low	48.6	Very low	88 Å²	88	111.9 Å²	111.9	60%	0.595	60%	0.598	S	S	*	*	H	α-helix	trans	-78.2	-30.3	174.7	-71	0	0	0	0	112.2	R4 A5 S11	R4-C8 PolarHBondContact O-N 3.22Å; R4-C8 PolarHBondContact O-SG 3.32Å; R4-C8 VanDerWaalsContact O-SG 3.37Å; A5-C8 PolarHBondContact O-N 3.42Å; C8-S11 PolarHBondContact O-OG 2.81Å
9	W	33.9	Very low	51	Low	219 Å²	219	108.9 Å²	108.9	83%	0.83	58%	0.584	S	S	*	*	H	α-helix	trans	-83.2	-22.4	-178.2	-74.9	52	0	0	0	113.4	A5 S11	A5-W9 PolarHBondContact O-N 3.02Å; A5-W9 VanDerWaalsContact O-N 3.13Å; W9-S11 PolarHBondContact O-N 3.22Å
10	A	33.2	Very low	53.2	Low	84 Å²	84	104.3 Å²	104.3	69%	0.694	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	1.7	171.7	0	0	0	0	0	114.1	L6	L6-A10 PolarHBondContact O-N 2.99Å
11	S	39.3	Very low	55.1	Low	85 Å²	85	100.7 Å²	100.7	59%	0.594	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	21.9	-174.6	69.6	0	0	0	0	114.7	C8 W9 A13	C8-S11 PolarHBondContact O-OG 2.81Å; W9-S11 PolarHBondContact O-N 3.22Å; S11-A13 PolarHBondContact O-N 3.03Å
12	L	48.3	Very low	57.7	Low	122 Å²	122	91 Å²	91	64%	0.639	49%	0.492	S	S	*	.	S	Bend	trans	-72.9	74.8	151.1	-87.2	149.5	0	0	0	107.9
13	A	54.2	Low	60.1	Low	26 Å²	26	83.6 Å²	83.6	22%	0.215	46%	0.458	C	S	.	.			trans	22.5	98.7	170.6	0	0	0	0	0	116.8	S11	S11-A13 PolarHBondContact O-N 3.03Å
14	A	57.3	Low	62.7	Low	82 Å²	82	80 Å²	80	68%	0.678	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-50.5	144	155	0	0	0	0	0	109.8	L16	A14-L16 PolarHBondContact O-N 2.85Å
15	A	69.1	Low	65.2	Low	26 Å²	26	75.6 Å²	75.6	22%	0.215	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-54.5	130.6	177.3	0	0	0	0	0	110.3	E17 K195 D242 Q244	A15-E17 PolarHBondContact O-N 3.07Å; A15-K195 HydrophobicContact CB-CD 4.39Å; A15-D242 WeakPolarHBondContact CB-O 3.29Å; A15-Q244 HydrophobicContact CB-CG 4.22Å
16	L	83.2	Confident	67.4	Low	66 Å²	66	77.1 Å²	77.1	35%	0.346	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.5	177.6	-174.5	61.6	0	0	0	108.5	A14 K196 A198	A14-L16 PolarHBondContact O-N 2.85Å; L16-K196 HydrophobicContact CB-CG 4.11Å; L16-K196 HydrophobicContact CD2-CD 4.42Å; L16-K196 HydrophobicContact CD2-CG 4.39Å; L16-K196 HydrophobicContact CG-CG 4.36Å; L16-K196 PolarHBondContact N-O 2.04Å; L16-K196 VanDerWaalsContact N-O 3.16Å; L16-K196 PolarHBondContact O-N 2.95Å; L16-A198 HydrophobicContact CB-CB 4.38Å; L16-A198 HydrophobicContact CD2-CB 4.5Å
17	E	89.9	Confident	69	Low	94 Å²	94	77.4 Å²	77.4	44%	0.439	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120	178.3	-63.6	-173.5	164.4	0	0	110.1	A15 F193 K195	A15-E17 PolarHBondContact O-N 3.07Å; E17-F193 HydrophobicContact CB-CD2 3.84Å; E17-F193 HydrophobicContact CB-CE2 4.39Å; E17-F193 HydrophobicContact CG-CD2 3.78Å; E17-F193 HydrophobicContact CG-CE2 3.83Å; E17-F193 VanDerWaalsContact OE1-CE2 3.26Å; E17-F193 WeakPolarHBondContact OE1-CE2 3.42Å; E17-K195 HydrophobicContact CG-CG 4.43Å
18	E	91.2	Very high	71	Confident	60 Å²	60	74.1 Å²	74.1	28%	0.28	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118	174.9	-172	81.8	-162.9	0	0	109.4	F193 Y194 K196	E18-F193 CarbonylContact O-C 3.54Å; E18-F193 WeakPolarHBondContact O-CA 3.38Å; E18-F193 VanDerWaalsContact O-CB 3.28Å; E18-F193 WeakPolarHBondContact O-CB 3.47Å; E18-Y194 HydrophobicContact CB-CD1 3.95Å; E18-Y194 HydrophobicContact CB-CD2 4.47Å; E18-Y194 HydrophobicContact CB-CE1 3.48Å; E18-Y194 VanDerWaalsContact CB-CE1 3.48Å; E18-Y194 HydrophobicContact CB-CE2 4.03Å; E18-Y194 HydrophobicContact CB-CG 4.44Å; E18-Y194 HydrophobicContact CG-CD1 4.36Å; E18-Y194 HydrophobicContact CG-CE1 3.51Å; E18-Y194 PolarHBondContact N-O 2.86Å; E18-Y194 PolarHBondContact O-N 2.74Å; E18-K196 WeakPolarHBondContact OE2-CE 3.48Å; E18-K196 IonicContact OE2-NZ 2.76Å; E18-K196 PolarHBondContact OE2-NZ 2.63Å
19	T	93.8	Very high	73.1	Confident	54 Å²	54	73.7 Å²	73.7	33%	0.331	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	129.7	-178	-64.6	0	0	0	0	111.5	N22 H191	T19-N22 HydrophobicContact CG2-CB 3.86Å; T19-H191 PolarHBondContact OG1-NE2 3.43Å
20	L	94.1	Very high	75.5	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.089	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-38.8	173	-61	-178.3	0	0	0	112.3	V78 R81 V86 F174 L192 Y194	L20-V78 HydrophobicContact CB-CG1 3.82Å; L20-R81 HydrophobicContact CD2-CB 4Å; L20-R81 HydrophobicContact CD2-CG 4.06Å; L20-V86 HydrophobicContact CD1-CB 4.43Å; L20-V86 HydrophobicContact CD1-CG1 3.97Å; L20-V86 HydrophobicContact CD1-CG2 3.54Å; L20-F174 HydrophobicContact CD1-CE1 4.2Å; L20-F174 HydrophobicContact CD1-CZ 4.33Å; L20-L192 HydrophobicContact CB-CB 4.15Å; L20-L192 PolarHBondContact N-O 3.16Å; L20-Y194 HydrophobicContact CD1-CD1 4.23Å; L20-Y194 HydrophobicContact CD2-CD1 3.82Å; L20-Y194 HydrophobicContact CD2-CE1 3.79Å; L20-Y194 HydrophobicContact CG-CD1 4Å; L20-Y194 HydrophobicContact CG-CE1 4.45Å
21	L	93.8	Very high	78	Confident	29 Å²	29	68.2 Å²	68.2	15%	0.152	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	136.5	176.9	176.8	66.1	0	0	0	108.7	W32 V78 L190 H191 L192	L21-W32 HydrophobicContact CD2-CZ2 4.28Å; L21-V78 HydrophobicContact CD2-CG2 4.15Å; L21-L190 HydrophobicContact CD2-CD2 3.98Å; L21-H191 CarbonylContact O-C 3.56Å; L21-H191 WeakPolarHBondContact O-CA 3.45Å; L21-L192 HydrophobicContact CB-CB 4.03Å; L21-L192 HydrophobicContact CB-CD1 3.97Å; L21-L192 HydrophobicContact CB-CG 4.17Å; L21-L192 HydrophobicContact CD2-CD1 3.96Å; L21-L192 PolarHBondContact N-O 3.47Å; L21-L192 PolarHBondContact O-N 3.03Å
22	N	93	Very high	80.5	Confident	29 Å²	29	65.3 Å²	65.3	16%	0.155	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	105	171.6	-174.8	-13.2	0	0	0	109.9	T19 K24 L25 L190	T19-N22 HydrophobicContact CG2-CB 3.86Å; N22-K24 PolarHBondContact O-N 3.37Å; N22-K24 VanDerWaalsContact O-N 3.14Å; N22-K24 WeakPolarHBondContact OD1-CB 3.11Å; N22-K24 PolarHBondContact OD1-N 3.21Å; N22-K24 VanDerWaalsContact OD1-N 3.09Å; N22-L25 HydrophobicContact CB-CD1 4.05Å; N22-L25 HydrophobicContact CB-CG 4.18Å; N22-L25 PolarHBondContact O-N 3.43Å; N22-L190 WeakPolarHBondContact CA-O 3.48Å
23	T	91.1	Very high	82.6	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.025	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.3	-174.9	64.7	0	0	0	0	113.7	L25 E26 L30 W32 S189 L190	T23-L25 VanDerWaalsContact C-N 3.28Å; T23-E26 PolarHBondContact O-N 3.4Å; T23-L30 HydrophobicContact CG2-CD1 3.95Å; T23-L30 HydrophobicContact CG2-CD2 4.09Å; T23-W32 HydrophobicContact CG2-CH2 3.9Å; T23-W32 HydrophobicContact CG2-CZ2 3.59Å; T23-S189 WeakPolarHBondContact OG1-CA 3.34Å; T23-L190 HydrophobicContact CG2-CB 3.98Å; T23-L190 PolarHBondContact N-O 3.03Å; T23-L190 PolarHBondContact OG1-N 3.34Å
24	K	86.2	Confident	84.4	Confident	64 Å²	64	60.9 Å²	60.9	28%	0.278	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.3	172.2	-69.8	-165.6	170.3	-160.9	0	113.1	N22 R91	N22-K24 PolarHBondContact O-N 3.37Å; N22-K24 VanDerWaalsContact O-N 3.14Å; N22-K24 WeakPolarHBondContact OD1-CB 3.11Å; N22-K24 PolarHBondContact OD1-N 3.21Å; N22-K24 VanDerWaalsContact OD1-N 3.09Å; K24-R91 VanDerWaalsContact NZ-NH1 3.19Å
25	L	83.8	Confident	85.9	Confident	130 Å²	130	60.2 Å²	60.2	68%	0.681	32%	0.319	S	S	*	.	S	Bend	trans	-89.1	-8.4	-179.6	-57.7	179.1	0	0	0	112.1	N22 T23	N22-L25 HydrophobicContact CB-CD1 4.05Å; N22-L25 HydrophobicContact CB-CG 4.18Å; N22-L25 PolarHBondContact O-N 3.43Å; T23-L25 VanDerWaalsContact C-N 3.28Å
26	E	79.2	Confident	86.5	Confident	82 Å²	82	59.6 Å²	59.6	38%	0.383	31%	0.312	S	S	.	.			trans	-84.3	120.4	-179.1	-63.5	-62.6	163.1	0	0	110.3	T23 L30	T23-E26 PolarHBondContact O-N 3.4Å; E26-L30 HydrophobicContact CB-CD2 3.81Å; E26-L30 HydrophobicContact CG-CD2 3.88Å
27	T	68.6	Low	86.3	Confident	135 Å²	135	62.8 Å²	62.8	83%	0.828	33%	0.326	S	S	*	.			trans	-99.5	-7.6	-180	54	0	0	0	0	113.1
28	A	74.8	Confident	85.5	Confident	61 Å²	61	62.1 Å²	62.1	50%	0.504	33%	0.328	S	S	.	.	S	Bend	trans	-102.7	166.1	177.4	0	0	0	0	0	111.8	L30	A28-L30 PolarHBondContact O-N 2.97Å
29	D	77.8	Confident	84	Confident	79 Å²	79	67 Å²	67	42%	0.422	36%	0.356	S	S	.	.			trans	-58.5	131.9	173.5	-55.2	-30.2	0	0	0	110.1	K31 E44 R56	D29-K31 HydrophobicContact CB-CG 3.88Å; D29-E44 WeakPolarHBondContact CA-OE1 3.43Å; D29-R56 IonicContact OD1-CZ 3.71Å; D29-R56 IonicContact OD1-NE 3.53Å; D29-R56 IonicContact OD1-NH1 3.49Å; D29-R56 PolarHBondContact OD1-NH1 3.26Å; D29-R56 IonicContact OD1-NH2 3.61Å; D29-R56 PolarHBondContact OD1-NH2 2.85Å
30	L	83.1	Confident	82.5	Confident	28 Å²	28	65.5 Å²	65.5	15%	0.147	35%	0.352	C	S	.	.			trans	-73.3	-30.5	-177.2	-68.8	174.5	0	0	0	111.7	T23 E26 A28 W32 E44 R56 Y58	T23-L30 HydrophobicContact CG2-CD1 3.95Å; T23-L30 HydrophobicContact CG2-CD2 4.09Å; E26-L30 HydrophobicContact CB-CD2 3.81Å; E26-L30 HydrophobicContact CG-CD2 3.88Å; A28-L30 PolarHBondContact O-N 2.97Å; L30-W32 HydrophobicContact CB-CG 4.4Å; L30-W32 HydrophobicContact CD1-CZ2 4.35Å; L30-W32 VanDerWaalsContact O-CD1 3.28Å; L30-W32 PolarHBondContact O-N 3.16Å; L30-E44 PolarHBondContact N-OE1 2.81Å; L30-R56 HydrophobicContact CD1-CB 3.76Å; L30-R56 HydrophobicContact CG-CB 3.93Å; L30-R56 HydrophobicContact CG-CG 4.46Å; L30-Y58 HydrophobicContact CB-CE2 4.03Å; L30-Y58 HydrophobicContact CD1-CD2 4.43Å; L30-Y58 HydrophobicContact CD1-CE2 3.8Å
31	K	85.4	Confident	81.7	Confident	159 Å²	159	66.3 Å²	66.3	69%	0.691	36%	0.355	S	S	*	.			trans	52.3	38.5	175.4	-59.5	-177.7	-178.6	179.8	0	113.6	D29 E44 Y58	D29-K31 HydrophobicContact CB-CG 3.88Å; K31-E44 PolarHBondContact N-OE2 2.88Å; K31-E44 VanDerWaalsContact N-OE2 3.13Å; K31-Y58 PolarHBondContact N-OH 3.29Å
32	W	92.4	Very high	81.4	Confident	24 Å²	24	65.2 Å²	65.2	9%	0.091	35%	0.349	C	S	.	.			trans	-66.8	151.2	173.8	-68.7	4.1	0	0	0	110.7	L21 T23 L30 Y58 L73 R74 T75 F178 L187 L190	L21-W32 HydrophobicContact CD2-CZ2 4.28Å; T23-W32 HydrophobicContact CG2-CH2 3.9Å; T23-W32 HydrophobicContact CG2-CZ2 3.59Å; L30-W32 HydrophobicContact CB-CG 4.4Å; L30-W32 HydrophobicContact CD1-CZ2 4.35Å; L30-W32 VanDerWaalsContact O-CD1 3.28Å; L30-W32 PolarHBondContact O-N 3.16Å; W32-Y58 HydrophobicContact CB-CE1 4.36Å; W32-Y58 HydrophobicContact CB-CE2 4.01Å; W32-Y58 WeakPolarHBondContact CB-OH 3.34Å; W32-Y58 HydrophobicContact CD2-CD2 4.36Å; W32-Y58 AromaticContact CD2-CE2 3.66Å; W32-Y58 HydrophobicContact CD2-CE2 3.66Å; W32-Y58 AromaticContact CE3-CD2 3.79Å; W32-Y58 HydrophobicContact CE3-CD2 3.79Å; W32-Y58 AromaticContact CE3-CE2 3.55Å; W32-Y58 HydrophobicContact CE3-CE2 3.55Å; W32-Y58 AromaticContact CG-CE2 3.9Å; W32-Y58 HydrophobicContact CG-CE2 3.9Å; W32-Y58 HydrophobicContact CZ3-CD2 4.08Å; W32-Y58 HydrophobicContact CZ3-CE2 4.18Å; W32-Y58 PolarHBondContact N-OH 3.46Å; W32-L73 HydrophobicContact CB-CD1 3.65Å; W32-L73 HydrophobicContact CE3-CD1 4.12Å; W32-L73 HydrophobicContact CE3-CD2 3.87Å; W32-L73 HydrophobicContact CE3-CG 3.91Å; W32-L73 HydrophobicContact CZ3-CD2 4.25Å; W32-R74 CarbonylContact C-O 3.6Å; W32-R74 WeakPolarHBondContact CA-O 3.31Å; W32-R74 WeakPolarHBondContact CB-O 3.44Å; W32-T75 HydrophobicContact CD2-CG2 3.93Å; W32-T75 HydrophobicContact CE3-CG2 3.97Å; W32-T75 HydrophobicContact CH2-CG2 3.71Å; W32-T75 HydrophobicContact CZ2-CG2 3.64Å; W32-T75 HydrophobicContact CZ3-CG2 3.87Å; W32-F178 HydrophobicContact CE3-CE2 4.47Å; W32-F178 HydrophobicContact CH2-CE2 4.47Å; W32-F178 HydrophobicContact CZ3-CD2 4.49Å; W32-F178 AromaticContact CZ3-CE2 3.77Å; W32-F178 HydrophobicContact CZ3-CE2 3.77Å; W32-L187 HydrophobicContact CZ3-CD2 3.98Å; W32-L190 HydrophobicContact CH2-CB 3.99Å; W32-L190 HydrophobicContact CH2-CD2 3.5Å; W32-L190 VanDerWaalsContact CH2-CD2 3.5Å; W32-L190 HydrophobicContact CH2-CG 4.39Å; W32-L190 HydrophobicContact CZ2-CD2 3.98Å; W32-L190 HydrophobicContact CZ3-CD2 4.41Å
33	V	92.7	Very high	81.3	Confident	35 Å²	35	68.8 Å²	68.8	21%	0.212	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.5	-171.7	-177.3	0	0	0	0	109.5	L73 R74 A125 W130	V33-L73 CarbonylContact O-C 3.53Å; V33-L73 WeakPolarHBondContact O-CA 3.48Å; V33-R74 PolarHBondContact N-O 3.38Å; V33-R74 PolarHBondContact O-N 3.13Å; V33-A125 HydrophobicContact CG1-CB 4.34Å; V33-W130 HydrophobicContact CB-CH2 4.4Å; V33-W130 HydrophobicContact CB-CZ2 4.39Å; V33-W130 HydrophobicContact CG1-CH2 4.2Å; V33-W130 HydrophobicContact CG1-CZ2 3.73Å
34	T	91.9	Very high	81.2	Confident	20 Å²	20	71.3 Å²	71.3	12%	0.123	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152	178.9	60.3	0	0	0	0	112	Q37 Q41 W42 W72 L73	T34-Q37 WeakPolarHBondContact O-CG 3.48Å; T34-Q41 PolarHBondContact OG1-OE1 3.06Å; T34-W42 HydrophobicContact CG2-CB 3.84Å; T34-W72 CarbonylContact C-O 3.5Å; T34-W72 VanDerWaalsContact CA-O 3.27Å; T34-W72 WeakPolarHBondContact CA-O 3.26Å; T34-L73 HydrophobicContact CG2-CD1 3.78Å
35	F	88.4	Confident	81.3	Confident	68 Å²	68	71.3 Å²	71.3	30%	0.298	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	138.5	174.1	178.8	-91.9	0	0	0	111.7	H71 W72 L126 W130	F35-H71 CarbonylContact O-C 3.54Å; F35-H71 WeakPolarHBondContact O-CA 3.34Å; F35-W72 HydrophobicContact CB-CB 4.37Å; F35-W72 PolarHBondContact N-O 2.97Å; F35-W72 PolarHBondContact O-N 2.72Å; F35-L126 HydrophobicContact CD2-CD2 4.43Å; F35-L126 HydrophobicContact CE2-CD2 4.14Å; F35-W130 HydrophobicContact CB-CD2 3.58Å; F35-W130 HydrophobicContact CB-CE3 4.28Å; F35-W130 HydrophobicContact CB-CG 3.69Å; F35-W130 HydrophobicContact CB-CH2 4.47Å; F35-W130 HydrophobicContact CB-CZ2 3.87Å; F35-W130 HydrophobicContact CD1-CB 3.51Å; F35-W130 AromaticContact CD1-CD1 3.58Å; F35-W130 HydrophobicContact CD1-CD2 4.25Å; F35-W130 AromaticContact CD1-CG 3.51Å; F35-W130 HydrophobicContact CD1-CG 3.51Å; F35-W130 AromaticContact CD2-CD1 3.31Å; F35-W130 HydrophobicContact CD2-CG 4.08Å; F35-W130 AromaticContact CD2-NE1 3.54Å; F35-W130 HydrophobicContact CE1-CB 3.82Å; F35-W130 HydrophobicContact CE1-CG 4.13Å; F35-W130 AromaticContact CE2-CD1 3.82Å; F35-W130 HydrophobicContact CG-CB 4.04Å; F35-W130 AromaticContact CG-CD1 3.18Å; F35-W130 AromaticContact CG-CD2 3.97Å; F35-W130 HydrophobicContact CG-CD2 3.97Å; F35-W130 AromaticContact CG-CE2 3.94Å; F35-W130 AromaticContact CG-CG 3.48Å; F35-W130 HydrophobicContact CG-CG 3.48Å; F35-W130 VanDerWaalsContact CG-CG 3.48Å; F35-W130 AromaticContact CG-NE1 3.48Å
36	P	82.9	Confident	81.3	Confident	13 Å²	13	68.8 Å²	68.8	8%	0.084	37%	0.372	C	S	.	.	S	Bend	cis	-69.8	147.3	-6.7	29.3	-34.1	0	0	0	112	V38 Q41	P36-V38 HydrophobicContact CB-CG2 4.06Å; P36-V38 HydrophobicContact CG-CG2 3.76Å; P36-V38 PolarHBondContact O-N 3.46Å; P36-Q41 PolarHBondContact O-OE1 3.37Å
37	Q	79.1	Confident	81.3	Confident	134 Å²	134	65.9 Å²	65.9	63%	0.626	36%	0.364	S	S	*	.			trans	-75.8	65.1	178.5	-66.5	-170.9	-19.1	0	0	112	T34	T34-Q37 WeakPolarHBondContact O-CG 3.48Å
38	V	72.8	Confident	81.8	Confident	79 Å²	79	64.8 Å²	64.8	48%	0.479	35%	0.353	S	S	.	.	S	Bend	trans	-132.2	162.1	179.2	-64.7	0	0	0	0	110.3	P36 Q41	P36-V38 HydrophobicContact CB-CG2 4.06Å; P36-V38 HydrophobicContact CG-CG2 3.76Å; P36-V38 PolarHBondContact O-N 3.46Å; V38-Q41 WeakPolarHBondContact O-CB 3.31Å; V38-Q41 WeakPolarHBondContact O-CG 3.48Å; V38-Q41 PolarHBondContact O-NE2 3.44Å
39	D	60	Low	81.7	Confident	162 Å²	162	63 Å²	63	87%	0.866	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	141.4	178.8	-63	-29.7	0	0	0	111.8
40	G	60.7	Low	81.6	Confident	24 Å²	24	65.6 Å²	65.6	25%	0.247	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	12.9	-174.9	0	0	0	0	0	115.2	D62 H71	G40-D62 WeakPolarHBondContact O-CB 3.22Å; G40-H71 PolarHBondContact O-CE1 3.21Å; G40-H71 PolarHBondContact O-ND1 3.16Å
41	Q	77.4	Confident	81.4	Confident	34 Å²	34	70.8 Å²	70.8	16%	0.159	37%	0.367	C	S	.	.	S	Bend	trans	-87.4	-166.2	177.1	63.8	-175.9	-40.5	0	0	112.7	T34 P36 V38 E43	T34-Q41 PolarHBondContact OG1-OE1 3.06Å; P36-Q41 PolarHBondContact O-OE1 3.37Å; V38-Q41 WeakPolarHBondContact O-CB 3.31Å; V38-Q41 WeakPolarHBondContact O-CG 3.48Å; V38-Q41 PolarHBondContact O-NE2 3.44Å; Q41-E43 PolarHBondContact O-N 3.03Å
42	W	88.6	Confident	81	Confident	6 Å²	6	69.6 Å²	69.6	2%	0.023	37%	0.365	C	S	.	.			trans	-63.7	125	167.9	-72.9	94.8	0	0	0	110.3	T34 E59 V60 L73 F178 D180 M185 L187	T34-W42 HydrophobicContact CG2-CB 3.84Å; W42-E59 CarbonylContact C-O 3.54Å; W42-E59 WeakPolarHBondContact CA-O 3.33Å; W42-V60 HydrophobicContact CD2-CB 3.83Å; W42-V60 HydrophobicContact CD2-CG1 3.87Å; W42-V60 HydrophobicContact CE3-CB 3.95Å; W42-V60 HydrophobicContact CE3-CG1 3.88Å; W42-V60 HydrophobicContact CG-CB 4.18Å; W42-V60 HydrophobicContact CH2-CG1 3.84Å; W42-V60 HydrophobicContact CZ2-CG1 3.77Å; W42-V60 HydrophobicContact CZ3-CB 4.44Å; W42-V60 HydrophobicContact CZ3-CG1 3.89Å; W42-L73 HydrophobicContact CB-CB 4.21Å; W42-L73 HydrophobicContact CB-CD1 4.3Å; W42-L73 HydrophobicContact CD2-CB 3.94Å; W42-L73 HydrophobicContact CD2-CD2 3.89Å; W42-L73 HydrophobicContact CD2-CG 4.5Å; W42-L73 HydrophobicContact CE3-CD2 3.83Å; W42-L73 HydrophobicContact CG-CB 3.7Å; W42-L73 HydrophobicContact CG-CD2 4.24Å; W42-L73 HydrophobicContact CG-CG 4.42Å; W42-L73 HydrophobicContact CZ3-CD2 4.24Å; W42-F178 HydrophobicContact CZ2-CB 4.06Å; W42-D180 HydrophobicContact CZ2-CB 4.17Å; W42-M185 HydrophobicContact CH2-CE 3.8Å; W42-M185 HydrophobicContact CH2-CG 4.08Å; W42-M185 HydrophobicContact CH2-SD 3.73Å; W42-M185 HydrophobicContact CZ2-SD 4.35Å; W42-M185 HydrophobicContact CZ3-CE 4.41Å; W42-L187 HydrophobicContact CZ3-CB 4.15Å
43	E	89.8	Confident	80.4	Confident	103 Å²	103	73.6 Å²	73.6	48%	0.481	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.4	-179.7	-68.9	-177	-179.6	0	0	110.5	Q41 Y58 E59	Q41-E43 PolarHBondContact O-N 3.03Å; E43-Y58 CarbonylContact O-C 3.5Å; E43-Y58 VanDerWaalsContact O-CA 3.3Å; E43-Y58 WeakPolarHBondContact O-CA 3.42Å; E43-E59 PolarHBondContact N-O 3.14Å; E43-E59 PolarHBondContact O-N 3.4Å
44	E	90.2	Very high	79.8	Confident	57 Å²	57	75.7 Å²	75.7	27%	0.266	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.3	173.7	-167.9	174.1	158.8	0	0	109.7	D29 L30 K31 T57 Y58	D29-E44 WeakPolarHBondContact CA-OE1 3.43Å; L30-E44 PolarHBondContact N-OE1 2.81Å; K31-E44 PolarHBondContact N-OE2 2.88Å; K31-E44 VanDerWaalsContact N-OE2 3.13Å; E44-T57 WeakPolarHBondContact CA-O 3.3Å; E44-Y58 HydrophobicContact CB-CD1 4.07Å; E44-Y58 HydrophobicContact CB-CE1 3.51Å; E44-Y58 VanDerWaalsContact CD-OH 3.3Å; E44-Y58 HydrophobicContact CG-CE1 3.92Å; E44-Y58 HydrophobicContact CG-CE2 4.39Å; E44-Y58 PolarHBondContact OE2-OH 2.83Å
45	L	87.9	Confident	79.6	Confident	65 Å²	65	75.1 Å²	75.1	34%	0.34	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	157	-179.5	-62.1	179	0	0	0	111.3	R56 T57 E59	L45-R56 WeakPolarHBondContact O-CA 3.41Å; L45-T57 PolarHBondContact N-O 3.49Å; L45-T57 PolarHBondContact O-N 3.41Å; L45-E59 HydrophobicContact CD1-CB 4.13Å; L45-E59 HydrophobicContact CD1-CG 3.81Å; L45-E59 WeakPolarHBondContact CD1-OE2 3.45Å
46	S	84.8	Confident	79.6	Confident	76 Å²	76	74.6 Å²	74.6	53%	0.531	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.5	169.2	-62.9	0	0	0	0	109.4	R56	S46-R56 PolarHBondContact OG-NH1 2.81Å
47	G	78.1	Confident	79.9	Confident	22 Å²	22	74.3 Å²	74.3	23%	0.227	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	172.1	173.6	0	0	0	0	0	112.2	S54 V55	G47-S54 WeakPolarHBondContact O-CA 3.27Å; G47-V55 PolarHBondContact N-O 2.66Å; G47-V55 PolarHBondContact O-N 3.13Å
48	L	78.2	Confident	80.5	Confident	112 Å²	112	68.2 Å²	68.2	59%	0.586	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.8	165.4	-67.5	169	0	0	0	108.1	H53	L48-H53 WeakPolarHBondContact CA-O 3.44Å
49	D	73.7	Confident	81.4	Confident	23 Å²	23	68.3 Å²	68.3	12%	0.123	36%	0.357	C	S	.	.			trans	-80.3	-179.2	171.5	78.1	-3.6	0	0	0	112	E51 Q52 H53 V55	D49-E51 PolarHBondContact O-N 2.92Å; D49-E51 VanDerWaalsContact O-N 3.13Å; D49-E51 WeakPolarHBondContact OD1-CA 3.44Å; D49-E51 PolarHBondContact OD1-N 2.73Å; D49-Q52 PolarHBondContact O-N 2.57Å; D49-Q52 PolarHBondContact OD1-N 2.79Å; D49-Q52 VanDerWaalsContact OD1-N 3.15Å; D49-H53 PolarHBondContact N-O 2.96Å; D49-H53 WeakPolarHBondContact OD1-CB 3.42Å; D49-H53 IonicContact OD1-CG 2.68Å; D49-H53 PolarHBondContact OD1-N 2.65Å; D49-H53 IonicContact OD1-ND1 3.02Å; D49-V55 HydrophobicContact CB-CG1 3.98Å; D49-V55 HydrophobicContact CB-CG2 4.14Å
50	E	75.2	Confident	82.8	Confident	133 Å²	133	60.7 Å²	60.7	62%	0.621	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.7	-179.8	-65.2	170.1	140.6	0	0	112.6	R91	E50-R91 IonicContact OE2-CZ 3.75Å; E50-R91 IonicContact OE2-NH1 3.5Å; E50-R91 PolarHBondContact OE2-NH1 3.47Å; E50-R91 IonicContact OE2-NH2 3.29Å; E50-R91 PolarHBondContact OE2-NH2 2.87Å
51	E	78.4	Confident	84	Confident	137 Å²	137	62.4 Å²	62.4	64%	0.64	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	7.5	-179.1	-64.1	172.8	-171.3	0	0	112.4	D49 H53	D49-E51 PolarHBondContact O-N 2.92Å; D49-E51 VanDerWaalsContact O-N 3.13Å; D49-E51 WeakPolarHBondContact OD1-CA 3.44Å; D49-E51 PolarHBondContact OD1-N 2.73Å; E51-H53 PolarHBondContact O-N 2.82Å; E51-H53 IonicContact OE2-CE1 3.81Å; E51-H53 PolarHBondContact OE2-CE1 2.97Å; E51-H53 IonicContact OE2-ND1 3.74Å; E51-H53 PolarHBondContact OE2-ND1 3.2Å
52	Q	77	Confident	83.9	Confident	135 Å²	135	62.9 Å²	62.9	63%	0.631	33%	0.328	S	S	*	.	S	Bend	trans	64	22.5	-176.4	-56.8	-67.6	-69.8	0	0	114	D49	D49-Q52 PolarHBondContact O-N 2.57Å; D49-Q52 PolarHBondContact OD1-N 2.79Å; D49-Q52 VanDerWaalsContact OD1-N 3.15Å
53	H	80.2	Confident	82.8	Confident	107 Å²	107	66.6 Å²	66.6	50%	0.495	35%	0.351	S	S	.	.			trans	-81.6	140.6	169.1	-59.7	128.2	0	0	0	110.1	L48 D49 E51 V55	L48-H53 WeakPolarHBondContact CA-O 3.44Å; D49-H53 PolarHBondContact N-O 2.96Å; D49-H53 WeakPolarHBondContact OD1-CB 3.42Å; D49-H53 IonicContact OD1-CG 2.68Å; D49-H53 PolarHBondContact OD1-N 2.65Å; D49-H53 IonicContact OD1-ND1 3.02Å; E51-H53 PolarHBondContact O-N 2.82Å; E51-H53 IonicContact OE2-CE1 3.81Å; E51-H53 PolarHBondContact OE2-CE1 2.97Å; E51-H53 IonicContact OE2-ND1 3.74Å; E51-H53 PolarHBondContact OE2-ND1 3.2Å; H53-V55 PolarHBondContact O-N 3.42Å
54	S	81.8	Confident	81.4	Confident	80 Å²	80	70.2 Å²	70.2	56%	0.559	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.8	173.8	-173	0	0	0	0	109.5	G47	G47-S54 WeakPolarHBondContact O-CA 3.27Å
55	V	85.9	Confident	80.3	Confident	8 Å²	8	69.2 Å²	69.2	5%	0.048	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154	179.4	-65.8	0	0	0	0	110.3	G47 D49 H53 T57	G47-V55 PolarHBondContact N-O 2.66Å; G47-V55 PolarHBondContact O-N 3.13Å; D49-V55 HydrophobicContact CB-CG1 3.98Å; D49-V55 HydrophobicContact CB-CG2 4.14Å; H53-V55 PolarHBondContact O-N 3.42Å; V55-T57 HydrophobicContact CG2-CG2 4.22Å
56	R	88.1	Confident	79	Confident	57 Å²	57	68.7 Å²	68.7	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.6	172.8	-61.7	-60.1	178.7	150.1	9.5	110.3	D29 L30 L45 S46	D29-R56 IonicContact OD1-CZ 3.71Å; D29-R56 IonicContact OD1-NE 3.53Å; D29-R56 IonicContact OD1-NH1 3.49Å; D29-R56 PolarHBondContact OD1-NH1 3.26Å; D29-R56 IonicContact OD1-NH2 3.61Å; D29-R56 PolarHBondContact OD1-NH2 2.85Å; L30-R56 HydrophobicContact CD1-CB 3.76Å; L30-R56 HydrophobicContact CG-CB 3.93Å; L30-R56 HydrophobicContact CG-CG 4.46Å; L45-R56 WeakPolarHBondContact O-CA 3.41Å; S46-R56 PolarHBondContact OG-NH1 2.81Å
57	T	89.4	Confident	77.9	Confident	7 Å²	7	71.4 Å²	71.4	4%	0.043	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	157.1	179.9	63.4	0	0	0	0	110	E44 L45 V55 L187 L188	E44-T57 WeakPolarHBondContact CA-O 3.3Å; L45-T57 PolarHBondContact N-O 3.49Å; L45-T57 PolarHBondContact O-N 3.41Å; V55-T57 HydrophobicContact CG2-CG2 4.22Å; T57-L187 WeakPolarHBondContact CA-O 3.35Å; T57-L187 WeakPolarHBondContact CB-O 3.3Å; T57-L188 HydrophobicContact CG2-CD2 4.05Å
58	Y	92.7	Very high	77.2	Confident	6 Å²	6	74.7 Å²	74.7	2%	0.024	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.7	173.3	-80.8	-80.1	0	0	0	109.9	L30 K31 W32 E43 E44 L73 A186 L187	L30-Y58 HydrophobicContact CB-CE2 4.03Å; L30-Y58 HydrophobicContact CD1-CD2 4.43Å; L30-Y58 HydrophobicContact CD1-CE2 3.8Å; K31-Y58 PolarHBondContact N-OH 3.29Å; W32-Y58 HydrophobicContact CB-CE1 4.36Å; W32-Y58 HydrophobicContact CB-CE2 4.01Å; W32-Y58 WeakPolarHBondContact CB-OH 3.34Å; W32-Y58 HydrophobicContact CD2-CD2 4.36Å; W32-Y58 AromaticContact CD2-CE2 3.66Å; W32-Y58 HydrophobicContact CD2-CE2 3.66Å; W32-Y58 AromaticContact CE3-CD2 3.79Å; W32-Y58 HydrophobicContact CE3-CD2 3.79Å; W32-Y58 AromaticContact CE3-CE2 3.55Å; W32-Y58 HydrophobicContact CE3-CE2 3.55Å; W32-Y58 AromaticContact CG-CE2 3.9Å; W32-Y58 HydrophobicContact CG-CE2 3.9Å; W32-Y58 HydrophobicContact CZ3-CD2 4.08Å; W32-Y58 HydrophobicContact CZ3-CE2 4.18Å; W32-Y58 PolarHBondContact N-OH 3.46Å; E43-Y58 CarbonylContact O-C 3.5Å; E43-Y58 VanDerWaalsContact O-CA 3.3Å; E43-Y58 WeakPolarHBondContact O-CA 3.42Å; E44-Y58 HydrophobicContact CB-CD1 4.07Å; E44-Y58 HydrophobicContact CB-CE1 3.51Å; E44-Y58 VanDerWaalsContact CD-OH 3.3Å; E44-Y58 HydrophobicContact CG-CE1 3.92Å; E44-Y58 HydrophobicContact CG-CE2 4.39Å; E44-Y58 PolarHBondContact OE2-OH 2.83Å; Y58-L73 HydrophobicContact CD1-CD1 3.75Å; Y58-L73 HydrophobicContact CD1-CD2 4Å; Y58-L73 HydrophobicContact CD2-CD2 4.01Å; Y58-L73 HydrophobicContact CE1-CD1 3.75Å; Y58-L73 HydrophobicContact CG-CD1 4.17Å; Y58-L73 HydrophobicContact CG-CD2 3.63Å; Y58-A186 CarbonylContact O-C 3.38Å; Y58-A186 WeakPolarHBondContact O-CA 3.44Å; Y58-L187 PolarHBondContact N-O 2.92Å; Y58-L187 PolarHBondContact O-N 2.98Å
59	E	91.5	Very high	76.8	Confident	81 Å²	81	73.9 Å²	73.9	38%	0.379	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.4	-178.5	-56.6	-162.2	171.3	0	0	111.6	W42 E43 L45 M185 A186	W42-E59 CarbonylContact C-O 3.54Å; W42-E59 WeakPolarHBondContact CA-O 3.33Å; E43-E59 PolarHBondContact N-O 3.14Å; E43-E59 PolarHBondContact O-N 3.4Å; L45-E59 HydrophobicContact CD1-CB 4.13Å; L45-E59 HydrophobicContact CD1-CG 3.81Å; L45-E59 WeakPolarHBondContact CD1-OE2 3.45Å; E59-M185 WeakPolarHBondContact CA-O 3.44Å; E59-A186 HydrophobicContact CB-CB 4.47Å; E59-A186 HydrophobicContact CG-CB 3.6Å
60	V	90.1	Very high	77.3	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.4	173	63.1	0	0	0	0	109.1	W42 D180 C184 M185	W42-V60 HydrophobicContact CD2-CB 3.83Å; W42-V60 HydrophobicContact CD2-CG1 3.87Å; W42-V60 HydrophobicContact CE3-CB 3.95Å; W42-V60 HydrophobicContact CE3-CG1 3.88Å; W42-V60 HydrophobicContact CG-CB 4.18Å; W42-V60 HydrophobicContact CH2-CG1 3.84Å; W42-V60 HydrophobicContact CZ2-CG1 3.77Å; W42-V60 HydrophobicContact CZ3-CB 4.44Å; W42-V60 HydrophobicContact CZ3-CG1 3.89Å; V60-D180 HydrophobicContact CG1-CB 4.12Å; V60-C184 CarbonylContact O-C 3.57Å; V60-C184 VanDerWaalsContact O-CA 3.3Å; V60-C184 WeakPolarHBondContact O-CA 2.6Å; V60-M185 HydrophobicContact CG1-CG 3.74Å; V60-M185 PolarHBondContact N-O 2.68Å; V60-M185 PolarHBondContact O-N 2.72Å
61	C	84.6	Confident	78	Confident	59 Å²	59	67.6 Å²	67.6	40%	0.399	38%	0.383	S	S	.	.			trans	-158.5	66.1	177.8	-166.8	0	0	0	0	111.2	V63 C184	C61-V63 PolarHBondContact O-N 3.29Å; C61-C184 HydrophobicContact CB-CB 3.92Å; C61-C184 WeakPolarHBondContact CB-SG 3.45Å; C61-C184 WeakPolarHBondContact SG-CB 3.16Å; C61-C184 CovalentContact SG-SG 2.04Å; C61-C184 PolarHBondContact SG-SG 3.26Å
62	D	76.8	Confident	78.7	Confident	45 Å²	45	61.3 Å²	61.3	24%	0.241	35%	0.353	C	S	.	.			trans	-84.1	104.8	177	-176.2	8.6	0	0	0	112.1	G40 Q64 R65 H71	G40-D62 WeakPolarHBondContact O-CB 3.22Å; D62-Q64 PolarHBondContact OD1-N 2.85Å; D62-R65 PolarHBondContact OD1-N 2.94Å; D62-R65 WeakPolarHBondContact OD2-CA 3.25Å; D62-H71 IonicContact OD2-CE1 2.91Å
63	V	63.5	Low	79.6	Confident	83 Å²	83	54.9 Å²	54.9	50%	0.503	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12	-179.6	-167.3	0	0	0	0	112.2	C61 L100	C61-V63 PolarHBondContact O-N 3.29Å; V63-L100 HydrophobicContact CG2-CD2 4.5Å
64	Q	61.6	Low	80.3	Confident	180 Å²	180	50 Å²	50	84%	0.841	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	22.4	-177.3	-61.6	-166.4	17.2	0	0	113.2	D62	D62-Q64 PolarHBondContact OD1-N 2.85Å
65	R	66.4	Low	80.9	Confident	35 Å²	35	46.3 Å²	46.3	13%	0.132	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-60	139.5	-172.4	-156.6	-166.3	-161	118.4	-0.8	114.6	D62 Q69 H71 D180	D62-R65 PolarHBondContact OD1-N 2.94Å; D62-R65 WeakPolarHBondContact OD2-CA 3.25Å; R65-Q69 PolarHBondContact NE-O 3.13Å; R65-Q69 PolarHBondContact NH2-O 3.37Å; R65-H71 PolarHBondContact NH2-CD2 3.38Å; R65-H71 VanDerWaalsContact NH2-N 3.15Å; R65-D180 IonicContact CZ-OD2 2.76Å; R65-D180 IonicContact NH1-OD2 3.49Å; R65-D180 PolarHBondContact NH1-OD2 2.7Å; R65-D180 PolarHBondContact NH2-O 3.37Å; R65-D180 IonicContact NH2-OD2 3.69Å; R65-D180 PolarHBondContact NH2-OD2 3.29Å
66	A	61.1	Low	81.3	Confident	55 Å²	55	47.8 Å²	47.8	46%	0.455	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-70.3	139.7	165.3	0	0	0	0	0	111.4	G68	A66-G68 PolarHBondContact O-N 2.66Å
67	P	60.7	Low	81.6	Confident	132 Å²	132	48.3 Å²	48.3	86%	0.857	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	129	-179.9	-19.9	30.9	0	0	0	112.5
68	G	63.5	Low	82	Confident	91 Å²	91	48.3 Å²	48.3	94%	0.938	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	-1.3	169	0	0	0	0	0	117.2	A66	A66-G68 PolarHBondContact O-N 2.66Å
69	Q	71.3	Confident	82.1	Confident	95 Å²	95	50.1 Å²	50.1	44%	0.444	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-93.4	129.1	178.2	-167.9	165.4	16.5	0	0	111.7	R65	R65-Q69 PolarHBondContact NE-O 3.13Å; R65-Q69 PolarHBondContact NH2-O 3.37Å
70	A	84.2	Confident	82.2	Confident	20 Å²	20	48.5 Å²	48.5	17%	0.165	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-97.3	140.8	177.1	0	0	0	0	0	111.7	Q179 D180 Q181	A70-Q179 HydrophobicContact CB-CG 3.83Å; A70-D180 WeakPolarHBondContact CA-O 3.48Å; A70-Q181 HydrophobicContact CB-CG 4.23Å
71	H	90.1	Very high	82.1	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.019	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.1	176.6	-66.7	175.5	0	0	0	109	F35 G40 D62 R65 Q179 D180	F35-H71 CarbonylContact O-C 3.54Å; F35-H71 WeakPolarHBondContact O-CA 3.34Å; G40-H71 PolarHBondContact O-CE1 3.21Å; G40-H71 PolarHBondContact O-ND1 3.16Å; D62-H71 IonicContact OD2-CE1 2.91Å; R65-H71 PolarHBondContact NH2-CD2 3.38Å; R65-H71 VanDerWaalsContact NH2-N 3.15Å; H71-Q179 CarbonylContact O-C 3.39Å; H71-Q179 WeakPolarHBondContact O-CA 3.4Å; H71-D180 HydrophobicContact CB-CB 4.34Å; H71-D180 PolarHBondContact N-O 3.27Å; H71-D180 PolarHBondContact O-N 3.36Å
72	W	92.6	Very high	82.1	Confident	6 Å²	6	54.7 Å²	54.7	2%	0.023	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.1	-175.2	-65	80.4	0	0	0	111.1	T34 F35 F114 W130 Y135 A177 F178 Q179	T34-W72 CarbonylContact C-O 3.5Å; T34-W72 VanDerWaalsContact CA-O 3.27Å; T34-W72 WeakPolarHBondContact CA-O 3.26Å; F35-W72 HydrophobicContact CB-CB 4.37Å; F35-W72 PolarHBondContact N-O 2.97Å; F35-W72 PolarHBondContact O-N 2.72Å; W72-F114 HydrophobicContact CE3-CD2 4.49Å; W72-F114 HydrophobicContact CH2-CD1 4.37Å; W72-F114 AromaticContact CH2-CD2 3.89Å; W72-F114 HydrophobicContact CH2-CD2 3.89Å; W72-F114 HydrophobicContact CH2-CE1 4.31Å; W72-F114 AromaticContact CH2-CE2 3.79Å; W72-F114 HydrophobicContact CH2-CE2 3.79Å; W72-F114 HydrophobicContact CH2-CG 4.19Å; W72-F114 HydrophobicContact CH2-CZ 4.03Å; W72-F114 HydrophobicContact CZ3-CB 4.26Å; W72-F114 HydrophobicContact CZ3-CD1 4.44Å; W72-F114 AromaticContact CZ3-CD2 3.53Å; W72-F114 HydrophobicContact CZ3-CD2 3.53Å; W72-F114 AromaticContact CZ3-CE2 3.89Å; W72-F114 HydrophobicContact CZ3-CE2 3.89Å; W72-F114 AromaticContact CZ3-CG 3.85Å; W72-F114 HydrophobicContact CZ3-CG 3.85Å; W72-W130 HydrophobicContact CB-CD2 4.12Å; W72-W130 HydrophobicContact CB-CE3 3.31Å; W72-W130 HydrophobicContact CB-CH2 4.42Å; W72-W130 HydrophobicContact CB-CZ3 3.49Å; W72-W130 VanDerWaalsContact CB-CZ3 3.49Å; W72-W130 AromaticContact CD2-CE3 3.9Å; W72-W130 HydrophobicContact CD2-CE3 3.9Å; W72-W130 HydrophobicContact CE3-CE3 4.04Å; W72-W130 HydrophobicContact CE3-CZ3 4.47Å; W72-W130 HydrophobicContact CG-CB 4.35Å; W72-W130 HydrophobicContact CG-CD2 4.38Å; W72-W130 AromaticContact CG-CE3 3.65Å; W72-W130 HydrophobicContact CG-CE3 3.65Å; W72-W130 HydrophobicContact CG-CZ3 4.27Å; W72-Y135 HydrophobicContact CZ3-CG 4.47Å; W72-A177 HydrophobicContact CE3-CB 4.23Å; W72-A177 HydrophobicContact CZ3-CB 4.42Å; W72-F178 CarbonylContact C-O 3.49Å; W72-F178 VanDerWaalsContact CA-O 3.23Å; W72-F178 WeakPolarHBondContact CA-O 3.16Å; W72-Q179 HydrophobicContact CD2-CB 4.09Å; W72-Q179 HydrophobicContact CD2-CG 3.99Å; W72-Q179 VanDerWaalsContact CE2-NE2 3.33Å; W72-Q179 HydrophobicContact CE3-CB 4Å; W72-Q179 HydrophobicContact CE3-CG 4.38Å; W72-Q179 HydrophobicContact CG-CG 4.48Å; W72-Q179 HydrophobicContact CH2-CB 4.37Å; W72-Q179 HydrophobicContact CH2-CG 4.42Å; W72-Q179 HydrophobicContact CZ2-CB 4.47Å; W72-Q179 HydrophobicContact CZ2-CG 4.05Å; W72-Q179 HydrophobicContact CZ3-CB 4.14Å
73	L	95.1	Very high	82.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.1	171.7	171.5	69.5	0	0	0	107.8	W32 V33 T34 W42 Y58 A177 F178 L187	W32-L73 HydrophobicContact CB-CD1 3.65Å; W32-L73 HydrophobicContact CE3-CD1 4.12Å; W32-L73 HydrophobicContact CE3-CD2 3.87Å; W32-L73 HydrophobicContact CE3-CG 3.91Å; W32-L73 HydrophobicContact CZ3-CD2 4.25Å; V33-L73 CarbonylContact O-C 3.53Å; V33-L73 WeakPolarHBondContact O-CA 3.48Å; T34-L73 HydrophobicContact CG2-CD1 3.78Å; W42-L73 HydrophobicContact CB-CB 4.21Å; W42-L73 HydrophobicContact CB-CD1 4.3Å; W42-L73 HydrophobicContact CD2-CB 3.94Å; W42-L73 HydrophobicContact CD2-CD2 3.89Å; W42-L73 HydrophobicContact CD2-CG 4.5Å; W42-L73 HydrophobicContact CE3-CD2 3.83Å; W42-L73 HydrophobicContact CG-CB 3.7Å; W42-L73 HydrophobicContact CG-CD2 4.24Å; W42-L73 HydrophobicContact CG-CG 4.42Å; W42-L73 HydrophobicContact CZ3-CD2 4.24Å; Y58-L73 HydrophobicContact CD1-CD1 3.75Å; Y58-L73 HydrophobicContact CD1-CD2 4Å; Y58-L73 HydrophobicContact CD2-CD2 4.01Å; Y58-L73 HydrophobicContact CE1-CD1 3.75Å; Y58-L73 HydrophobicContact CG-CD1 4.17Å; Y58-L73 HydrophobicContact CG-CD2 3.63Å; L73-A177 CarbonylContact O-C 3.41Å; L73-A177 WeakPolarHBondContact O-CA 3.17Å; L73-F178 HydrophobicContact CB-CB 4.31Å; L73-F178 HydrophobicContact CB-CD2 4.45Å; L73-F178 HydrophobicContact CD2-CD2 4.09Å; L73-F178 HydrophobicContact CG-CD2 4.26Å; L73-F178 PolarHBondContact N-O 2.8Å; L73-F178 PolarHBondContact O-N 3.01Å; L73-L187 HydrophobicContact CD2-CD2 4.46Å
74	R	95.1	Very high	83.8	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.019	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.1	179.9	-173.5	-168.7	75.3	-154.6	1.1	111.5	W32 V33 A123 T124 T127 W130 Y135 Y175 L176 A177	W32-R74 CarbonylContact C-O 3.6Å; W32-R74 WeakPolarHBondContact CA-O 3.31Å; W32-R74 WeakPolarHBondContact CB-O 3.44Å; V33-R74 PolarHBondContact N-O 3.38Å; V33-R74 PolarHBondContact O-N 3.13Å; R74-A123 PolarHBondContact NH2-O 3.19Å; R74-T124 PolarHBondContact NH1-O 2.97Å; R74-T124 PolarHBondContact NH2-O 3.47Å; R74-T127 PolarHBondContact NH1-O 3.34Å; R74-T127 VanDerWaalsContact NH1-O 3.14Å; R74-W130 HydrophobicContact CB-CH2 3.43Å; R74-W130 VanDerWaalsContact CB-CH2 3.43Å; R74-W130 HydrophobicContact CB-CZ3 3.69Å; R74-W130 HydrophobicContact CG-CH2 4.48Å; R74-Y135 WeakPolarHBondContact CD-OH 3.29Å; R74-Y135 PolarHBondContact NH1-OH 3.39Å; R74-Y175 HydrophobicContact CG-CD1 4.36Å; R74-Y175 HydrophobicContact CG-CG 4.43Å; R74-L176 CarbonylContact C-O 3.53Å; R74-L176 WeakPolarHBondContact CA-O 3.4Å; R74-A177 HydrophobicContact CB-CB 4.29Å; R74-A177 HydrophobicContact CG-CB 4.32Å
75	T	95.4	Very high	85.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.6	169.5	175.1	68.5	0	0	0	0	112.6	W32 Y175 L176 F178 L190	W32-T75 HydrophobicContact CD2-CG2 3.93Å; W32-T75 HydrophobicContact CE3-CG2 3.97Å; W32-T75 HydrophobicContact CH2-CG2 3.71Å; W32-T75 HydrophobicContact CZ2-CG2 3.64Å; W32-T75 HydrophobicContact CZ3-CG2 3.87Å; T75-Y175 WeakPolarHBondContact O-CD1 3.29Å; T75-L176 HydrophobicContact CG2-CB 3.77Å; T75-L176 PolarHBondContact N-O 2.88Å; T75-L176 PolarHBondContact OG1-N 2.82Å; T75-L176 PolarHBondContact OG1-O 3.38Å; T75-F178 HydrophobicContact CG2-CE2 4.34Å; T75-L190 HydrophobicContact CG2-CD2 3.83Å
76	G	93.6	Very high	86.5	Confident	39 Å²	39	41 Å²	41	40%	0.402	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-63.7	170.2	158.2	0	0	0	0	0	112.1	V78	G76-V78 PolarHBondContact O-N 3.17Å
77	W	95.3	Very high	88.1	Confident	69 Å²	69	39.9 Å²	39.9	26%	0.261	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-69.6	127.6	176.9	-176.9	83.3	0	0	0	110.8	P79 S118 D121 A172 Y175	W77-P79 HydrophobicContact CE3-CB 4.48Å; W77-P79 HydrophobicContact CH2-CB 3.88Å; W77-P79 HydrophobicContact CZ3-CB 3.7Å; W77-P79 HydrophobicContact CZ3-CG 4.29Å; W77-S118 PolarHBondContact NE1-O 2.99Å; W77-D121 HydrophobicContact CB-CB 3.62Å; W77-D121 VanDerWaalsContact CB-CG 3.45Å; W77-D121 WeakPolarHBondContact CB-OD1 3.37Å; W77-D121 HydrophobicContact CD2-CB 4.21Å; W77-D121 HydrophobicContact CG-CB 3.84Å; W77-A172 HydrophobicContact CZ2-CB 4.27Å; W77-Y175 VanDerWaalsContact CA-CE1 3.47Å; W77-Y175 HydrophobicContact CB-CD1 4.22Å; W77-Y175 HydrophobicContact CB-CE1 3.5Å; W77-Y175 HydrophobicContact CB-CE2 4.47Å; W77-Y175 AromaticContact CD1-CE2 3.62Å; W77-Y175 AromaticContact CD1-CZ 3.61Å; W77-Y175 HydrophobicContact CG-CE1 4.3Å; W77-Y175 HydrophobicContact CG-CE2 4.45Å
78	V	96.2	Very high	89.8	Confident	6 Å²	6	33.6 Å²	33.6	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.9	-178.1	-176.1	0	0	0	0	109.2	L20 L21 G76 R80 G173 F174 L192	L20-V78 HydrophobicContact CB-CG1 3.82Å; L21-V78 HydrophobicContact CD2-CG2 4.15Å; G76-V78 PolarHBondContact O-N 3.17Å; V78-R80 PolarHBondContact O-N 2.85Å; V78-G173 CarbonylContact O-C 3.56Å; V78-G173 WeakPolarHBondContact O-CA 2.98Å; V78-F174 HydrophobicContact CB-CE1 4.14Å; V78-F174 HydrophobicContact CB-CE2 4.35Å; V78-F174 HydrophobicContact CB-CZ 4.02Å; V78-F174 HydrophobicContact CG1-CE1 4.02Å; V78-F174 HydrophobicContact CG1-CZ 3.88Å; V78-F174 PolarHBondContact N-O 2.69Å; V78-F174 PolarHBondContact O-N 3Å; V78-L192 HydrophobicContact CB-CD1 4.45Å; V78-L192 HydrophobicContact CG1-CD1 4.16Å; V78-L192 HydrophobicContact CG2-CD1 3.9Å
79	P	95.8	Very high	91.4	Very high	44 Å²	44	30.5 Å²	30.5	29%	0.286	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.8	176.1	26.3	-32.4	0	0	0	110.4	W77 R81	W77-P79 HydrophobicContact CE3-CB 4.48Å; W77-P79 HydrophobicContact CH2-CB 3.88Å; W77-P79 HydrophobicContact CZ3-CB 3.7Å; W77-P79 HydrophobicContact CZ3-CG 4.29Å; P79-R81 VanDerWaalsContact C-N 3.33Å; P79-R81 HydrophobicContact CB-CG 4.38Å; P79-R81 PolarHBondContact O-N 3.19Å
80	R	92.8	Very high	92.5	Very high	48 Å²	48	26 Å²	26	18%	0.181	14%	0.138	C	C	.	.			trans	-70.6	-24.4	-176.4	-177.3	172.1	74.8	89.9	-14.6	114.1	V78 G82 A83 L169 K171 A172	V78-R80 PolarHBondContact O-N 2.85Å; R80-G82 PolarHBondContact NH1-O 3.45Å; R80-G82 PolarHBondContact O-N 3.43Å; R80-A83 WeakPolarHBondContact CD-O 3.42Å; R80-A83 HydrophobicContact CG-CB 4.09Å; R80-A83 WeakPolarHBondContact CG-O 3.5Å; R80-A83 PolarHBondContact NH1-O 3.38Å; R80-A83 VanDerWaalsContact O-CB 3.24Å; R80-A83 WeakPolarHBondContact O-CB 3.5Å; R80-A83 PolarHBondContact O-N 3.16Å; R80-L169 VanDerWaalsContact CD-CB 3.47Å; R80-L169 HydrophobicContact CG-CB 4.44Å; R80-L169 HydrophobicContact CG-CD1 4.3Å; R80-K171 WeakPolarHBondContact CD-O 3.19Å; R80-K171 PolarHBondContact NE-O 3.49Å; R80-A172 VanDerWaalsContact CB-O 3.29Å; R80-A172 WeakPolarHBondContact CB-O 3.35Å; R80-A172 PolarHBondContact N-O 3.31Å
81	R	89.2	Confident	92.9	Very high	156 Å²	156	28.2 Å²	28.2	59%	0.589	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	30	-178.8	-59.5	-173	179.2	-176.4	1.9	115	L20 P79 Y194	L20-R81 HydrophobicContact CD2-CB 4Å; L20-R81 HydrophobicContact CD2-CG 4.06Å; P79-R81 VanDerWaalsContact C-N 3.33Å; P79-R81 HydrophobicContact CB-CG 4.38Å; P79-R81 PolarHBondContact O-N 3.19Å; R81-Y194 HydrophobicContact CB-CE1 4.45Å
82	G	83.4	Confident	93.1	Very high	34 Å²	34	28.1 Å²	28.1	35%	0.351	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-6	178.7	0	0	0	0	0	115.8	R80 V84	R80-G82 PolarHBondContact NH1-O 3.45Å; R80-G82 PolarHBondContact O-N 3.43Å; G82-V84 PolarHBondContact O-N 2.99Å
83	A	88.5	Confident	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.			trans	-61.7	128.5	177.1	0	0	0	0	0	111.9	R80 V86 Y194	R80-A83 WeakPolarHBondContact CD-O 3.42Å; R80-A83 HydrophobicContact CG-CB 4.09Å; R80-A83 WeakPolarHBondContact CG-O 3.5Å; R80-A83 PolarHBondContact NH1-O 3.38Å; R80-A83 VanDerWaalsContact O-CB 3.24Å; R80-A83 WeakPolarHBondContact O-CB 3.5Å; R80-A83 PolarHBondContact O-N 3.16Å; A83-V86 HydrophobicContact CB-CG2 3.85Å; A83-Y194 HydrophobicContact CB-CD1 3.62Å; A83-Y194 HydrophobicContact CB-CD2 4.05Å; A83-Y194 HydrophobicContact CB-CE1 4.27Å; A83-Y194 HydrophobicContact CB-CG 3.47Å; A83-Y194 VanDerWaalsContact CB-CG 3.47Å
84	V	87.8	Confident	92.7	Very high	20 Å²	20	29.7 Å²	29.7	12%	0.121	15%	0.152	C	C	.	.	S	Bend	trans	-85.4	-38.1	170.2	176.7	0	0	0	0	110.5	G82 P168 L169 R213	G82-V84 PolarHBondContact O-N 2.99Å; V84-P168 HydrophobicContact CG1-CB 3.87Å; V84-P168 CarbonylContact O-C 3.52Å; V84-P168 WeakPolarHBondContact O-CA 3.42Å; V84-L169 PolarHBondContact O-N 3.44Å; V84-R213 HydrophobicContact CG2-CB 3.92Å; V84-R213 HydrophobicContact CG2-CG 3.83Å
85	H	90.4	Very high	92.3	Very high	35 Å²	35	30.8 Å²	30.8	16%	0.162	16%	0.159	C	C	.	.	S	Bend	trans	-117.8	142.4	172	-65.6	-67.8	0	0	0	110.1	R165 L166 Y194	H85-R165 PolarHBondContact CD2-NH2 3Å; H85-R165 VanDerWaalsContact CE1-CZ 3.48Å; H85-R165 PolarHBondContact CE1-NH1 3.34Å; H85-R165 PolarHBondContact CE1-NH2 3.48Å; H85-R165 PolarHBondContact ND1-NH1 3.11Å; H85-R165 PolarHBondContact NE2-NH2 2.87Å; H85-R165 VanDerWaalsContact NE2-NH2 3.11Å; H85-L166 WeakPolarHBondContact CA-O 3.48Å; H85-L166 PolarHBondContact ND1-O 3.43Å; H85-Y194 WeakPolarHBondContact O-CB 3.41Å
86	V	93.7	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.5	175.5	174	0	0	0	0	108.3	L20 A83 L166 L169 F174 L192	L20-V86 HydrophobicContact CD1-CB 4.43Å; L20-V86 HydrophobicContact CD1-CG1 3.97Å; L20-V86 HydrophobicContact CD1-CG2 3.54Å; A83-V86 HydrophobicContact CB-CG2 3.85Å; V86-L166 HydrophobicContact CB-CB 4.28Å; V86-L166 PolarHBondContact N-O 3.14Å; V86-L166 VanDerWaalsContact N-O 3.17Å; V86-L166 WeakPolarHBondContact O-CB 3.35Å; V86-L166 PolarHBondContact O-N 3.04Å; V86-L169 HydrophobicContact CB-CD1 4.28Å; V86-L169 HydrophobicContact CG2-CD1 3.63Å; V86-F174 HydrophobicContact CB-CZ 4.26Å; V86-F174 HydrophobicContact CG1-CZ 3.89Å; V86-F174 HydrophobicContact CG2-CE1 3.98Å; V86-F174 HydrophobicContact CG2-CZ 4.08Å; V86-L192 HydrophobicContact CG1-CB 4.21Å; V86-L192 HydrophobicContact CG1-CD2 4.31Å
87	Y	94.6	Very high	91.3	Very high	33 Å²	33	31.1 Å²	31.1	13%	0.129	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.4	173.3	-62.2	-87.5	0	0	0	109	T163 L164 R165 L192 F193 K195	Y87-T163 HydrophobicContact CD1-CG2 4.32Å; Y87-L164 CarbonylContact C-O 3.55Å; Y87-L164 VanDerWaalsContact CA-O 3.29Å; Y87-L164 WeakPolarHBondContact CA-O 3.43Å; Y87-R165 HydrophobicContact CD1-CB 4.38Å; Y87-R165 HydrophobicContact CD1-CG 4.45Å; Y87-R165 HydrophobicContact CE1-CB 4.3Å; Y87-R165 HydrophobicContact CE1-CG 4.05Å; Y87-L192 WeakPolarHBondContact O-CA 3.45Å; Y87-F193 HydrophobicContact CD2-CE2 4.24Å; Y87-F193 HydrophobicContact CG-CE2 4.28Å; Y87-F193 HydrophobicContact CG-CZ 4.23Å; Y87-F193 PolarHBondContact N-O 3.48Å; Y87-F193 PolarHBondContact O-N 2.78Å; Y87-K195 HydrophobicContact CD2-CG 4.22Å; Y87-K195 HydrophobicContact CE2-CD 4.12Å; Y87-K195 HydrophobicContact CE2-CG 3.97Å
88	A	96.6	Very high	90.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	105.7	175.9	0	0	0	0	0	109.4	T163 L164 L166 L190 H191 L192	A88-T163 CarbonylContact O-C 3.43Å; A88-T163 WeakPolarHBondContact O-CA 3.32Å; A88-L164 HydrophobicContact CB-CB 4.46Å; A88-L164 PolarHBondContact N-O 2.99Å; A88-L164 PolarHBondContact O-N 3.22Å; A88-L166 HydrophobicContact CB-CD1 3.56Å; A88-L190 HydrophobicContact CB-CD1 4.2Å; A88-H191 WeakPolarHBondContact CA-O 3.47Å; A88-L192 HydrophobicContact CB-CD2 3.43Å; A88-L192 VanDerWaalsContact CB-CD2 3.43Å
89	T	97.1	Very high	89.5	Confident	25 Å²	25	36.1 Å²	36.1	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.1	171.2	-63	0	0	0	0	109.4	V161 K162 T163 H191	T89-V161 HydrophobicContact CG2-CG1 3.76Å; T89-K162 WeakPolarHBondContact CA-O 3.25Å; T89-T163 PolarHBondContact OG1-OG1 2.85Å; T89-H191 PolarHBondContact N-O 3.14Å; T89-H191 PolarHBondContact O-N 3.09Å
90	L	95.4	Very high	88.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.6	177.6	-51.9	-179.6	0	0	0	109.2	F92 F111 V113 V141 V161 K162 L164 F178 L187 L190	L90-F92 HydrophobicContact CB-CD1 4.34Å; L90-F111 HydrophobicContact CD1-CE2 4.1Å; L90-F111 HydrophobicContact CD1-CZ 4.05Å; L90-V113 HydrophobicContact CD1-CG2 3.9Å; L90-V141 HydrophobicContact CD1-CG2 4.39Å; L90-V161 CarbonylContact O-C 3.6Å; L90-V161 VanDerWaalsContact O-CA 3.3Å; L90-V161 WeakPolarHBondContact O-CA 3.4Å; L90-K162 PolarHBondContact N-O 3.42Å; L90-K162 PolarHBondContact O-N 3.38Å; L90-L164 HydrophobicContact CD1-CD1 3.74Å; L90-L164 HydrophobicContact CD1-CG 4.44Å; L90-F178 HydrophobicContact CD1-CE1 4.15Å; L90-F178 HydrophobicContact CD2-CE1 3.77Å; L90-F178 HydrophobicContact CD2-CZ 4.02Å; L90-L187 HydrophobicContact CB-CD1 4.47Å; L90-L187 HydrophobicContact CD2-CD1 4.41Å; L90-L190 HydrophobicContact CD2-CD1 3.4Å
91	R	93.3	Very high	87	Confident	67 Å²	67	39.2 Å²	39.2	25%	0.253	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.9	163.5	-65.4	-178	138.6	-146.1	1.8	108.5	K24 E50 V159 N160 V161 L188 S189	K24-R91 VanDerWaalsContact NZ-NH1 3.19Å; E50-R91 IonicContact OE2-CZ 3.75Å; E50-R91 IonicContact OE2-NH1 3.5Å; E50-R91 PolarHBondContact OE2-NH1 3.47Å; E50-R91 IonicContact OE2-NH2 3.29Å; E50-R91 PolarHBondContact OE2-NH2 2.87Å; R91-V159 HydrophobicContact CB-CG1 4.03Å; R91-N160 CarbonylContact C-O 3.43Å; R91-N160 VanDerWaalsContact CA-O 3.28Å; R91-N160 WeakPolarHBondContact CA-O 3.44Å; R91-V161 HydrophobicContact CG-CG1 4.47Å; R91-V161 HydrophobicContact CG-CG2 4.18Å; R91-L188 HydrophobicContact CB-CB 4.27Å; R91-L188 WeakPolarHBondContact O-CA 3.07Å; R91-L188 WeakPolarHBondContact O-CB 3.42Å; R91-L188 PolarHBondContact O-N 2.93Å; R91-S189 WeakPolarHBondContact CB-OG 3.45Å; R91-S189 VanDerWaalsContact CD-OG 3.29Å; R91-S189 WeakPolarHBondContact CD-OG 3.11Å; R91-S189 WeakPolarHBondContact CG-OG 3.43Å; R91-S189 PolarHBondContact N-O 2.75Å; R91-S189 PolarHBondContact O-N 2.88Å; R91-S189 VanDerWaalsContact O-N 3.16Å
92	F	92.7	Very high	85.7	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.3	-176.4	68.4	-81.1	0	0	0	112.8	L90 M94 F111 V141 A143 N160 K162 M185 A186 L187	L90-F92 HydrophobicContact CB-CD1 4.34Å; F92-M94 HydrophobicContact CE2-CB 4.5Å; F92-M94 HydrophobicContact CE2-CE 4.39Å; F92-F111 HydrophobicContact CD1-CE1 4.32Å; F92-F111 HydrophobicContact CD1-CZ 4.28Å; F92-F111 AromaticContact CD2-CE1 3.85Å; F92-F111 HydrophobicContact CD2-CE1 3.85Å; F92-F111 HydrophobicContact CE1-CE1 4.22Å; F92-F111 HydrophobicContact CE1-CZ 4.34Å; F92-F111 AromaticContact CE2-CE1 3.73Å; F92-F111 HydrophobicContact CE2-CE1 3.73Å; F92-F111 HydrophobicContact CG-CE1 4.15Å; F92-F111 HydrophobicContact CG-CZ 4.37Å; F92-F111 AromaticContact CZ-CE1 3.93Å; F92-F111 HydrophobicContact CZ-CE1 3.93Å; F92-F111 HydrophobicContact CZ-CZ 4.49Å; F92-V141 HydrophobicContact CE1-CG1 3.77Å; F92-V141 HydrophobicContact CE2-CG1 4.49Å; F92-V141 HydrophobicContact CZ-CG1 3.58Å; F92-A143 HydrophobicContact CE2-CB 3.92Å; F92-A143 HydrophobicContact CZ-CB 4.43Å; F92-N160 HydrophobicContact CD1-CB 3.99Å; F92-N160 HydrophobicContact CD2-CB 4.18Å; F92-N160 HydrophobicContact CE1-CB 3.64Å; F92-N160 HydrophobicContact CE2-CB 3.86Å; F92-N160 HydrophobicContact CG-CB 4.24Å; F92-N160 HydrophobicContact CZ-CB 3.56Å; F92-N160 PolarHBondContact N-O 3.21Å; F92-N160 WeakPolarHBondContact O-CB 3.45Å; F92-N160 PolarHBondContact O-N 2.95Å; F92-N160 PolarHBondContact O-ND2 2.84Å; F92-K162 HydrophobicContact CE1-CB 4.1Å; F92-M185 HydrophobicContact CB-CE 4.06Å; F92-M185 HydrophobicContact CD2-CE 4.21Å; F92-M185 HydrophobicContact CG-CE 4.36Å; F92-A186 CarbonylContact C-O 3.5Å; F92-A186 WeakPolarHBondContact CA-O 3.26Å; F92-A186 VanDerWaalsContact CB-O 3.23Å; F92-A186 WeakPolarHBondContact CB-O 3.3Å; F92-L187 HydrophobicContact CB-CD1 4.36Å
93	T	90.3	Very high	84.2	Confident	38 Å²	38	42.8 Å²	42.8	23%	0.233	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.9	168.4	61.8	0	0	0	0	109.4	V159 M185 A186 L188	T93-V159 HydrophobicContact CG2-CG2 4.37Å; T93-M185 VanDerWaalsContact O-CA 3.26Å; T93-M185 WeakPolarHBondContact O-CA 3.38Å; T93-M185 VanDerWaalsContact O-CB 3.26Å; T93-M185 WeakPolarHBondContact O-CB 3.43Å; T93-A186 PolarHBondContact N-O 2.77Å; T93-A186 PolarHBondContact O-N 3.2Å; T93-A186 WeakPolarHBondContact OG1-CB 3.26Å; T93-L188 HydrophobicContact CG2-CD1 3.97Å
94	M	89	Confident	82.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.3	-179	-175.6	166.9	-81	0	0	109.5	F92 E109 F111 A143 L146 T147 A183 M185	F92-M94 HydrophobicContact CE2-CB 4.5Å; F92-M94 HydrophobicContact CE2-CE 4.39Å; M94-E109 WeakPolarHBondContact SD-CA 3.21Å; M94-E109 HydrophobicContact SD-CB 4Å; M94-F111 HydrophobicContact CE-CD1 3.81Å; M94-F111 HydrophobicContact CE-CE1 4.4Å; M94-A143 HydrophobicContact CB-CB 3.74Å; M94-A143 HydrophobicContact CG-CB 4.26Å; M94-A143 HydrophobicContact SD-CB 3.78Å; M94-L146 HydrophobicContact CB-CD2 4.15Å; M94-L146 HydrophobicContact CG-CD2 3.87Å; M94-L146 WeakPolarHBondContact O-CA 3.35Å; M94-L146 HydrophobicContact SD-CD2 4.21Å; M94-T147 PolarHBondContact O-N 3.01Å; M94-T147 PolarHBondContact O-OG1 3.36Å; M94-A183 HydrophobicContact CE-CB 4.09Å; M94-M185 HydrophobicContact CB-CB 4.43Å; M94-M185 HydrophobicContact CE-CB 4.01Å; M94-M185 HydrophobicContact CE-CG 4.5Å; M94-M185 HydrophobicContact CE-SD 4.04Å; M94-M185 HydrophobicContact CG-CB 4.46Å
95	L	86.7	Confident	81.1	Confident	29 Å²	29	56.7 Å²	56.7	15%	0.152	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-86.2	139.5	-179.7	-164.5	75.2	0	0	0	110.6	C97 L100 T147 K149 C184	L95-C97 PolarHBondContact O-N 3.25Å; L95-L100 HydrophobicContact CD2-CD2 3.6Å; L95-L100 HydrophobicContact CD2-CG 3.9Å; L95-T147 HydrophobicContact CD1-CG2 4.16Å; L95-T147 WeakPolarHBondContact CD1-O 3.35Å; L95-K149 HydrophobicContact CD1-CB 4.2Å; L95-C184 HydrophobicContact CB-CB 4.04Å; L95-C184 HydrophobicContact CD2-CB 4.46Å; L95-C184 PolarHBondContact N-O 2.82Å
96	E	86.1	Confident	80.2	Confident	27 Å²	27	58.4 Å²	58.4	13%	0.126	30%	0.304	C	S	.	.			trans	-66.1	129.2	173.6	-170.6	179.1	-126.5	0	0	110.1	L98 S99 E109 L146 T147 R148	E96-L98 HydrophobicContact CG-CB 4.25Å; E96-L98 PolarHBondContact O-N 2.84Å; E96-S99 WeakPolarHBondContact O-CB 3.2Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-S99 PolarHBondContact OE2-OG 2.87Å; E96-E109 WeakPolarHBondContact CA-OE1 3.21Å; E96-L146 HydrophobicContact CB-CB 4Å; E96-L146 HydrophobicContact CB-CD1 4.39Å; E96-L146 HydrophobicContact CG-CD1 4.22Å; E96-T147 PolarHBondContact N-O 3.46Å; E96-R148 IonicContact OE1-CZ 3.26Å; E96-R148 IonicContact OE1-NE 3.42Å; E96-R148 PolarHBondContact OE1-NE 2.98Å; E96-R148 IonicContact OE1-NH2 3.01Å; E96-R148 PolarHBondContact OE1-NH2 2.83Å; E96-R148 WeakPolarHBondContact OE2-CG 3.33Å; E96-R148 IonicContact OE2-CZ 2.83Å; E96-R148 IonicContact OE2-NE 3.64Å; E96-R148 PolarHBondContact OE2-NE 3.48Å
97	C	82.6	Confident	79.6	Confident	19 Å²	19	60.1 Å²	60.1	13%	0.128	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.5	-176.6	-78.4	0	0	0	0	112.6	L95 S99 L100 C107 E109	L95-C97 PolarHBondContact O-N 3.25Å; C97-S99 PolarHBondContact O-N 3.36Å; C97-L100 PolarHBondContact O-N 3.49Å; C97-C107 VanDerWaalsContact CA-SG 3.5Å; C97-C107 HydrophobicContact CB-CB 3.8Å; C97-C107 WeakPolarHBondContact CB-SG 3.5Å; C97-C107 WeakPolarHBondContact SG-CB 3.32Å; C97-C107 CovalentContact SG-SG 2.04Å; C97-C107 PolarHBondContact SG-SG 2.99Å; C97-E109 HydrophobicContact CB-CG 4.43Å; C97-E109 PolarHBondContact N-OE1 2.85Å
98	L	78.6	Confident	79.1	Confident	147 Å²	147	62.3 Å²	62.3	77%	0.77	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.9	176.7	-65.8	172.3	0	0	0	113.4	E96 L100	E96-L98 HydrophobicContact CG-CB 4.25Å; E96-L98 PolarHBondContact O-N 2.84Å; L98-L100 VanDerWaalsContact C-N 3.26Å; L98-L100 PolarHBondContact O-N 2.77Å
99	S	74.8	Confident	78.7	Confident	33 Å²	33	65.5 Å²	65.5	23%	0.231	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-79.4	-7.5	177.6	-68.2	0	0	0	0	112.9	E96 C97	E96-S99 WeakPolarHBondContact O-CB 3.2Å; E96-S99 PolarHBondContact O-N 3.42Å; E96-S99 PolarHBondContact OE2-OG 2.87Å; C97-S99 PolarHBondContact O-N 3.36Å
100	L	74.6	Confident	78.3	Confident	28 Å²	28	66.6 Å²	66.6	15%	0.147	35%	0.347	C	S	.	.	S	Bend	trans	-86.2	129.7	179.8	-71.9	166.2	0	0	0	111.2	V63 L95 C97 L98 R102 A103 C184	V63-L100 HydrophobicContact CG2-CD2 4.5Å; L95-L100 HydrophobicContact CD2-CD2 3.6Å; L95-L100 HydrophobicContact CD2-CG 3.9Å; C97-L100 PolarHBondContact O-N 3.49Å; L98-L100 VanDerWaalsContact C-N 3.26Å; L98-L100 PolarHBondContact O-N 2.77Å; L100-R102 PolarHBondContact O-N 2.86Å; L100-A103 PolarHBondContact O-N 2.89Å; L100-C184 HydrophobicContact CD1-CB 4.41Å
101	P	62.8	Low	78.2	Confident	130 Å²	130	66.7 Å²	66.7	84%	0.844	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.4	-172.5	23.2	-32.6	0	0	0	114.9
102	R	59.9	Low	78.3	Confident	205 Å²	205	64 Å²	64	77%	0.774	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.5	73.2	170	-71.7	-177.1	176.8	165.4	-1.2	108.8	L100 G104	L100-R102 PolarHBondContact O-N 2.86Å; R102-G104 PolarHBondContact O-N 3.5Å
103	A	53.4	Low	78.5	Confident	59 Å²	59	63.9 Å²	63.9	49%	0.488	34%	0.339	S	S	.	.			trans	-64.8	85.1	173.1	0	0	0	0	0	109.6	L100	L100-A103 PolarHBondContact O-N 2.89Å
104	G	53.2	Low	78.8	Confident	41 Å²	41	62.1 Å²	62.1	42%	0.423	33%	0.328	S	S	.	.			trans	-59	150	167.2	0	0	0	0	0	108.9	R102 S106 C107	R102-G104 PolarHBondContact O-N 3.5Å; G104-S106 PolarHBondContact O-N 3.47Å; G104-C107 PolarHBondContact O-N 2.76Å
105	R	58	Low	79.1	Confident	271 Å²	271	63.1 Å²	63.1	100%	1.023	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	5.6	175.9	-70.1	177.4	168.9	-179.9	-3.9	114.6
106	S	71.3	Confident	79.6	Confident	71 Å²	71	64 Å²	64	50%	0.497	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-6	-174.1	51.5	0	0	0	0	115.1	G104	G104-S106 PolarHBondContact O-N 3.47Å
107	C	80.5	Confident	80	Confident	36 Å²	36	63.8 Å²	63.8	24%	0.243	33%	0.332	C	S	.	.			trans	-69.4	139.6	177.8	-176	0	0	0	0	111.7	C97 G104 G182	C97-C107 VanDerWaalsContact CA-SG 3.5Å; C97-C107 HydrophobicContact CB-CB 3.8Å; C97-C107 WeakPolarHBondContact CB-SG 3.5Å; C97-C107 WeakPolarHBondContact SG-CB 3.32Å; C97-C107 CovalentContact SG-SG 2.04Å; C97-C107 PolarHBondContact SG-SG 2.99Å; G104-C107 PolarHBondContact O-N 2.76Å; C107-G182 CarbonylContact C-O 3.58Å; C107-G182 WeakPolarHBondContact CA-O 3.46Å
108	K	84.8	Confident	80.5	Confident	79 Å²	79	63.3 Å²	63.3	34%	0.343	33%	0.329	S	S	.	.			trans	-128.8	147.4	178.4	-63.6	-167.9	-177.8	-171.8	0	111.3	Q181 G182 A183	K108-Q181 HydrophobicContact CD-CB 4.07Å; K108-G182 PolarHBondContact N-O 2.9Å; K108-A183 WeakPolarHBondContact O-CA 3.36Å; K108-A183 WeakPolarHBondContact O-CB 3.43Å
109	E	87.4	Confident	81.3	Confident	67 Å²	67	61.5 Å²	61.5	31%	0.313	32%	0.32	S	S	.	.	S	Bend	trans	-106.5	35.5	174.7	-65.3	169.5	164.9	0	0	110.5	M94 E96 C97 L146	M94-E109 WeakPolarHBondContact SD-CA 3.21Å; M94-E109 HydrophobicContact SD-CB 4Å; E96-E109 WeakPolarHBondContact CA-OE1 3.21Å; C97-E109 HydrophobicContact CB-CG 4.43Å; C97-E109 PolarHBondContact N-OE1 2.85Å; E109-L146 HydrophobicContact CB-CD2 4.14Å; E109-L146 VanDerWaalsContact CD-CD1 3.5Å; E109-L146 HydrophobicContact CG-CD1 4.38Å; E109-L146 HydrophobicContact CG-CD2 4.08Å; E109-L146 WeakPolarHBondContact OE2-CD1 3.28Å
110	T	89.6	Confident	82.2	Confident	48 Å²	48	62.2 Å²	62.2	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.5	-179.4	59.3	0	0	0	0	111	T140 V141 A142	T110-T140 HydrophobicContact CG2-CG2 4.42Å; T110-V141 VanDerWaalsContact CA-O 3.22Å; T110-V141 WeakPolarHBondContact CA-O 3.29Å; T110-A142 HydrophobicContact CG2-CB 3.86Å
111	F	92.9	Very high	83.1	Confident	2 Å²	2	66 Å²	66	1%	0.009	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161.4	168	67.4	-79.6	0	0	0	109.4	L90 F92 M94 V113 T140 V141 F178 M185	L90-F111 HydrophobicContact CD1-CE2 4.1Å; L90-F111 HydrophobicContact CD1-CZ 4.05Å; F92-F111 HydrophobicContact CD1-CE1 4.32Å; F92-F111 HydrophobicContact CD1-CZ 4.28Å; F92-F111 AromaticContact CD2-CE1 3.85Å; F92-F111 HydrophobicContact CD2-CE1 3.85Å; F92-F111 HydrophobicContact CE1-CE1 4.22Å; F92-F111 HydrophobicContact CE1-CZ 4.34Å; F92-F111 AromaticContact CE2-CE1 3.73Å; F92-F111 HydrophobicContact CE2-CE1 3.73Å; F92-F111 HydrophobicContact CG-CE1 4.15Å; F92-F111 HydrophobicContact CG-CZ 4.37Å; F92-F111 AromaticContact CZ-CE1 3.93Å; F92-F111 HydrophobicContact CZ-CE1 3.93Å; F92-F111 HydrophobicContact CZ-CZ 4.49Å; M94-F111 HydrophobicContact CE-CD1 3.81Å; M94-F111 HydrophobicContact CE-CE1 4.4Å; F111-V113 HydrophobicContact CD2-CG2 4.06Å; F111-V113 HydrophobicContact CE2-CG2 3.63Å; F111-T140 CarbonylContact O-C 3.48Å; F111-T140 WeakPolarHBondContact O-CA 3.31Å; F111-V141 HydrophobicContact CD1-CB 4.08Å; F111-V141 HydrophobicContact CD1-CG1 4.39Å; F111-V141 HydrophobicContact CD2-CB 4.49Å; F111-V141 HydrophobicContact CE1-CB 3.63Å; F111-V141 HydrophobicContact CE1-CG1 3.55Å; F111-V141 HydrophobicContact CE2-CB 4.07Å; F111-V141 HydrophobicContact CE2-CG2 4.18Å; F111-V141 HydrophobicContact CZ-CB 3.63Å; F111-V141 HydrophobicContact CZ-CG1 3.63Å; F111-V141 HydrophobicContact CZ-CG2 4.05Å; F111-V141 PolarHBondContact N-O 2.78Å; F111-V141 PolarHBondContact O-N 3.47Å; F111-F178 HydrophobicContact CD2-CD1 4.21Å; F111-F178 AromaticContact CE2-CD1 3.87Å; F111-F178 HydrophobicContact CE2-CD1 3.87Å; F111-F178 HydrophobicContact CE2-CE1 4.38Å; F111-M185 HydrophobicContact CB-SD 3.75Å; F111-M185 HydrophobicContact CD1-CE 3.72Å; F111-M185 HydrophobicContact CD1-SD 3.33Å; F111-M185 WeakPolarHBondContact CD1-SD 3.43Å; F111-M185 HydrophobicContact CD2-CE 4.41Å; F111-M185 HydrophobicContact CD2-SD 4.26Å; F111-M185 HydrophobicContact CE1-CE 3.63Å; F111-M185 HydrophobicContact CE1-SD 3.92Å; F111-M185 HydrophobicContact CE2-CE 4.35Å; F111-M185 HydrophobicContact CG-CE 4.11Å; F111-M185 HydrophobicContact CG-SD 3.52Å; F111-M185 VanDerWaalsContact CG-SD 3.52Å; F111-M185 HydrophobicContact CZ-CE 3.96Å
112	T	94.9	Very high	84.4	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.067	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139	-178.1	-57.3	0	0	0	0	111.1	F114 K137 D139 T140 F178 Q179	T112-F114 HydrophobicContact CG2-CD2 3.92Å; T112-F114 HydrophobicContact CG2-CE2 3.27Å; T112-F114 HydrophobicContact CG2-CZ 3.63Å; T112-K137 HydrophobicContact CG2-CD 3.92Å; T112-K137 HydrophobicContact CG2-CG 3.81Å; T112-D139 WeakPolarHBondContact CG2-O 3.28Å; T112-T140 PolarHBondContact OG1-OG1 2.97Å; T112-F178 CarbonylContact O-C 3.55Å; T112-F178 WeakPolarHBondContact O-CA 3.13Å; T112-Q179 PolarHBondContact N-O 2.76Å; T112-Q179 PolarHBondContact O-N 2.75Å
113	V	96.8	Very high	85.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138	178.3	-176.9	0	0	0	0	109.3	L90 F111 V138 D139 V141 L164 L176 A177 F178	L90-V113 HydrophobicContact CD1-CG2 3.9Å; F111-V113 HydrophobicContact CD2-CG2 4.06Å; F111-V113 HydrophobicContact CE2-CG2 3.63Å; V113-V138 HydrophobicContact CB-CB 4.3Å; V113-V138 HydrophobicContact CG1-CB 4.24Å; V113-V138 HydrophobicContact CG1-CG2 4.25Å; V113-V138 WeakPolarHBondContact O-CB 3.28Å; V113-V138 PolarHBondContact O-N 2.84Å; V113-D139 PolarHBondContact N-O 2.89Å; V113-D139 PolarHBondContact O-N 2.88Å; V113-V141 HydrophobicContact CG2-CG2 3.85Å; V113-L164 HydrophobicContact CB-CD1 3.84Å; V113-L164 HydrophobicContact CG1-CD1 3.98Å; V113-L164 HydrophobicContact CG2-CD1 3.71Å; V113-L176 HydrophobicContact CG1-CD1 3.69Å; V113-L176 HydrophobicContact CG1-CD2 4.49Å; V113-L176 HydrophobicContact CG1-CG 4.15Å; V113-A177 CarbonylContact C-O 3.56Å; V113-A177 WeakPolarHBondContact CA-O 3.45Å; V113-F178 HydrophobicContact CG1-CE1 4.49Å; V113-F178 HydrophobicContact CG2-CD1 3.96Å; V113-F178 HydrophobicContact CG2-CE1 4.15Å
114	F	96.2	Very high	87.5	Confident	1 Å²	1	55.6 Å²	55.6	0%	0.004	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.2	-178.6	-69	-95.2	0	0	0	110.4	W72 T112 E132 Y135 I136 K137 L176 A177 Q179	W72-F114 HydrophobicContact CE3-CD2 4.49Å; W72-F114 HydrophobicContact CH2-CD1 4.37Å; W72-F114 AromaticContact CH2-CD2 3.89Å; W72-F114 HydrophobicContact CH2-CD2 3.89Å; W72-F114 HydrophobicContact CH2-CE1 4.31Å; W72-F114 AromaticContact CH2-CE2 3.79Å; W72-F114 HydrophobicContact CH2-CE2 3.79Å; W72-F114 HydrophobicContact CH2-CG 4.19Å; W72-F114 HydrophobicContact CH2-CZ 4.03Å; W72-F114 HydrophobicContact CZ3-CB 4.26Å; W72-F114 HydrophobicContact CZ3-CD1 4.44Å; W72-F114 AromaticContact CZ3-CD2 3.53Å; W72-F114 HydrophobicContact CZ3-CD2 3.53Å; W72-F114 AromaticContact CZ3-CE2 3.89Å; W72-F114 HydrophobicContact CZ3-CE2 3.89Å; W72-F114 AromaticContact CZ3-CG 3.85Å; W72-F114 HydrophobicContact CZ3-CG 3.85Å; T112-F114 HydrophobicContact CG2-CD2 3.92Å; T112-F114 HydrophobicContact CG2-CE2 3.27Å; T112-F114 HydrophobicContact CG2-CZ 3.63Å; F114-E132 HydrophobicContact CE1-CG 3.97Å; F114-E132 HydrophobicContact CZ-CG 4.09Å; F114-Y135 HydrophobicContact CB-CD1 4.41Å; F114-I136 CarbonylContact C-O 3.56Å; F114-I136 WeakPolarHBondContact CA-O 3.45Å; F114-K137 HydrophobicContact CD1-CB 3.85Å; F114-K137 HydrophobicContact CD1-CG 4.44Å; F114-K137 HydrophobicContact CE1-CB 3.54Å; F114-K137 HydrophobicContact CE1-CD 4.45Å; F114-K137 HydrophobicContact CE1-CG 3.98Å; F114-K137 HydrophobicContact CZ-CB 4.27Å; F114-K137 HydrophobicContact CZ-CD 4.42Å; F114-K137 HydrophobicContact CZ-CG 4.22Å; F114-L176 WeakPolarHBondContact O-CD1 3.42Å; F114-A177 HydrophobicContact CB-CB 4.22Å; F114-A177 PolarHBondContact N-O 2.98Å; F114-A177 PolarHBondContact O-N 2.71Å; F114-Q179 HydrophobicContact CD2-CB 4.08Å; F114-Q179 HydrophobicContact CE2-CB 3.69Å; F114-Q179 HydrophobicContact CE2-CG 4.47Å
115	Y	96.8	Very high	89	Confident	21 Å²	21	55.4 Å²	55.4	8%	0.082	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.9	167	75.4	-76.9	0	0	0	112	E117 Y135 I136 V138 L166 L169 Y175	Y115-E117 HydrophobicContact CD2-CG 4.06Å; Y115-E117 HydrophobicContact CE2-CG 3.85Å; Y115-Y135 WeakPolarHBondContact O-CA 3.43Å; Y115-I136 HydrophobicContact CD1-CB 3.99Å; Y115-I136 HydrophobicContact CD1-CG2 4.29Å; Y115-I136 WeakPolarHBondContact CD1-O 3.32Å; Y115-I136 HydrophobicContact CE1-CB 3.6Å; Y115-I136 HydrophobicContact CE1-CD1 4.4Å; Y115-I136 HydrophobicContact CE1-CG2 3.51Å; Y115-I136 HydrophobicContact CE2-CD1 4.08Å; Y115-I136 PolarHBondContact N-O 3.34Å; Y115-I136 PolarHBondContact O-N 3.41Å; Y115-V138 HydrophobicContact CD1-CG2 3.54Å; Y115-V138 HydrophobicContact CE1-CG2 4.26Å; Y115-V138 HydrophobicContact CG-CG2 4.45Å; Y115-L166 HydrophobicContact CG-CD2 4.15Å; Y115-L169 HydrophobicContact CD2-CD2 3.78Å; Y115-L169 HydrophobicContact CE2-CD2 3.49Å; Y115-L169 VanDerWaalsContact CE2-CD2 3.49Å; Y115-Y175 CarbonylContact C-O 3.57Å; Y115-Y175 WeakPolarHBondContact CA-O 3.41Å; Y115-Y175 WeakPolarHBondContact CB-O 3.49Å
116	Y	95.6	Very high	90.3	Very high	48 Å²	48	48.3 Å²	48.3	19%	0.188	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	125.5	175.4	171.8	-108.8	0	0	0	110.5	P128 P134 F174 Y175	Y116-P128 HydrophobicContact CD1-CG 3.58Å; Y116-P128 HydrophobicContact CD2-CG 4.19Å; Y116-P128 HydrophobicContact CE1-CB 4.26Å; Y116-P128 HydrophobicContact CE1-CG 3.63Å; Y116-P128 HydrophobicContact CE2-CB 4.31Å; Y116-P128 HydrophobicContact CE2-CG 4.24Å; Y116-P128 HydrophobicContact CG-CG 3.87Å; Y116-P134 HydrophobicContact CD2-CB 3.89Å; Y116-P134 HydrophobicContact CD2-CG 4.05Å; Y116-P134 HydrophobicContact CE2-CB 3.7Å; Y116-P134 HydrophobicContact CE2-CG 3.9Å; Y116-F174 CarbonylContact O-C 3.58Å; Y116-F174 WeakPolarHBondContact O-CA 3.23Å; Y116-F174 WeakPolarHBondContact O-CB 3.38Å; Y116-Y175 AromaticContact CD1-CD2 3.74Å; Y116-Y175 HydrophobicContact CD1-CD2 3.74Å; Y116-Y175 HydrophobicContact CD1-CE2 4.17Å; Y116-Y175 HydrophobicContact CE1-CD2 4.47Å; Y116-Y175 HydrophobicContact CE1-CE2 4.47Å; Y116-Y175 PolarHBondContact N-O 3.39Å; Y116-Y175 PolarHBondContact O-N 2.95Å
117	E	95.1	Very high	91	Very high	23 Å²	23	48.1 Å²	48.1	11%	0.107	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.1	-179.4	-67.7	-168.4	-103	0	0	112.7	Y115 L169 S170 K171 F174	Y115-E117 HydrophobicContact CD2-CG 4.06Å; Y115-E117 HydrophobicContact CE2-CG 3.85Å; E117-L169 HydrophobicContact CG-CD2 3.85Å; E117-L169 WeakPolarHBondContact OE2-CA 3.45Å; E117-S170 PolarHBondContact OE2-N 3.36Å; E117-S170 PolarHBondContact OE2-OG 3.2Å; E117-K171 HydrophobicContact CB-CB 4.04Å; E117-K171 HydrophobicContact CB-CD 3.87Å; E117-K171 HydrophobicContact CB-CG 3.94Å; E117-K171 WeakPolarHBondContact O-CD 3.43Å; E117-K171 PolarHBondContact O-NZ 3.19Å; E117-K171 PolarHBondContact OE2-N 3.36Å; E117-F174 HydrophobicContact CG-CB 4.45Å
118	S	94.4	Very high	91.3	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.063	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.9	175.3	-172.1	0	0	0	0	112.1	W77 A120 T122 G173	W77-S118 PolarHBondContact NE1-O 2.99Å; S118-A120 VanDerWaalsContact C-N 3.26Å; S118-A120 WeakPolarHBondContact CB-O 3.33Å; S118-A120 PolarHBondContact O-N 2.91Å; S118-A120 PolarHBondContact OG-N 3.36Å; S118-A120 PolarHBondContact OG-O 2.91Å; S118-T122 PolarHBondContact OG-OG1 3.42Å; S118-G173 PolarHBondContact N-O 3.48Å; S118-G173 CarbonylContact O-C 3.59Å; S118-G173 PolarHBondContact O-N 2.79Å
119	D	94.3	Very high	91.5	Very high	108 Å²	108	45.7 Å²	45.7	58%	0.578	27%	0.269	S	S	*	.	S	Bend	trans	-75.6	-15.1	176.8	-66.2	-55.6	0	0	0	113.4	K171 A172	D119-K171 WeakPolarHBondContact OD1-CB 3.18Å; D119-A172 HydrophobicContact CB-CB 4.44Å; D119-A172 WeakPolarHBondContact O-CB 3.33Å; D119-A172 PolarHBondContact OD1-N 2.91Å
120	A	93.5	Very high	91.5	Very high	48 Å²	48	43.7 Å²	43.7	40%	0.397	26%	0.258	S	S	.	.	S	Bend	trans	-150.5	167.8	175.9	0	0	0	0	0	111.3	S118 T122	S118-A120 VanDerWaalsContact C-N 3.26Å; S118-A120 WeakPolarHBondContact CB-O 3.33Å; S118-A120 PolarHBondContact O-N 2.91Å; S118-A120 PolarHBondContact OG-N 3.36Å; S118-A120 PolarHBondContact OG-O 2.91Å; A120-T122 HydrophobicContact CB-CG2 4.02Å; A120-T122 PolarHBondContact O-N 2.86Å
121	D	93.7	Very high	91.3	Very high	109 Å²	109	46.4 Å²	46.4	58%	0.583	27%	0.269	S	S	*	.	S	Bend	trans	-74.7	85.6	174.1	-169.7	11.7	0	0	0	111	W77 Y175	W77-D121 HydrophobicContact CB-CB 3.62Å; W77-D121 VanDerWaalsContact CB-CG 3.45Å; W77-D121 WeakPolarHBondContact CB-OD1 3.37Å; W77-D121 HydrophobicContact CD2-CB 4.21Å; W77-D121 HydrophobicContact CG-CB 3.84Å; D121-Y175 VanDerWaalsContact CA-OH 3.22Å; D121-Y175 WeakPolarHBondContact CA-OH 3.49Å; D121-Y175 PolarHBondContact OD1-OH 2.92Å
122	T	90.8	Very high	90.5	Very high	85 Å²	85	51.7 Å²	51.7	52%	0.521	29%	0.294	S	S	.	.			trans	-115.8	-3.6	-174.2	58.5	0	0	0	0	113.6	S118 A120 Y175	S118-T122 PolarHBondContact OG-OG1 3.42Å; A120-T122 HydrophobicContact CB-CG2 4.02Å; A120-T122 PolarHBondContact O-N 2.86Å; T122-Y175 PolarHBondContact N-OH 3.3Å
123	A	89.1	Confident	89.8	Confident	16 Å²	16	57.2 Å²	57.2	13%	0.132	32%	0.323	C	S	.	.			trans	-79.9	128.4	-171.7	0	0	0	0	0	111.6	R74 T127 Y175	R74-A123 PolarHBondContact NH2-O 3.19Å; A123-T127 CarbonylContact C-O 3.4Å; A123-T127 VanDerWaalsContact CA-O 3.31Å; A123-T127 WeakPolarHBondContact CA-O 3.3Å; A123-T127 WeakPolarHBondContact CB-O 3.47Å; A123-Y175 HydrophobicContact CB-CD1 4.42Å; A123-Y175 HydrophobicContact CB-CD2 4.37Å; A123-Y175 HydrophobicContact CB-CE1 3.75Å; A123-Y175 HydrophobicContact CB-CE2 3.67Å; A123-Y175 VanDerWaalsContact CB-OH 3.3Å; A123-Y175 WeakPolarHBondContact CB-OH 2.94Å; A123-Y175 PolarHBondContact N-OH 2.72Å
124	T	88.9	Confident	89.3	Confident	74 Å²	74	59.8 Å²	59.8	45%	0.454	34%	0.34	S	S	.	.			trans	-101.9	-172.8	177.1	72.8	0	0	0	0	111.4	R74 L126 T127	R74-T124 PolarHBondContact NH1-O 2.97Å; R74-T124 PolarHBondContact NH2-O 3.47Å; T124-L126 PolarHBondContact O-N 3.39Å; T124-L126 PolarHBondContact OG1-N 3.4Å; T124-T127 PolarHBondContact N-O 2.93Å; T124-T127 PolarHBondContact N-OG1 3.23Å; T124-T127 PolarHBondContact OG1-N 3.28Å; T124-T127 PolarHBondContact OG1-OG1 2.99Å
125	A	85.3	Confident	89.1	Confident	36 Å²	36	59.8 Å²	59.8	30%	0.298	34%	0.34	S	S	.	.	S	Bend	trans	-63.5	-22.6	174.9	0	0	0	0	0	114	V33 W130	V33-A125 HydrophobicContact CG1-CB 4.34Å; A125-W130 PolarHBondContact O-NE1 2.8Å
126	L	84.9	Confident	88.9	Confident	122 Å²	122	62.3 Å²	62.3	64%	0.639	35%	0.354	S	S	*	.	S	Bend	trans	-120.4	-8.7	-177	-63.1	173.2	0	0	0	113.2	F35 T124	F35-L126 HydrophobicContact CD2-CD2 4.43Å; F35-L126 HydrophobicContact CE2-CD2 4.14Å; T124-L126 PolarHBondContact O-N 3.39Å; T124-L126 PolarHBondContact OG1-N 3.4Å
127	T	85	Confident	88.9	Confident	68 Å²	68	65 Å²	65	42%	0.417	37%	0.367	S	S	.	.			trans	-129	139.7	-177.8	64.2	0	0	0	0	111.1	R74 A123 T124	R74-T127 PolarHBondContact NH1-O 3.34Å; R74-T127 VanDerWaalsContact NH1-O 3.14Å; A123-T127 CarbonylContact C-O 3.4Å; A123-T127 VanDerWaalsContact CA-O 3.31Å; A123-T127 WeakPolarHBondContact CA-O 3.3Å; A123-T127 WeakPolarHBondContact CB-O 3.47Å; T124-T127 PolarHBondContact N-O 2.93Å; T124-T127 PolarHBondContact N-OG1 3.23Å; T124-T127 PolarHBondContact OG1-N 3.28Å; T124-T127 PolarHBondContact OG1-OG1 2.99Å
128	P	88	Confident	88.8	Confident	16 Å²	16	65.6 Å²	65.6	10%	0.104	37%	0.372	C	S	.	.	S	Bend	cis	-61.7	158.8	-12.7	30.1	-36.5	0	0	0	112	Y116 W130 P134 Y135	Y116-P128 HydrophobicContact CD1-CG 3.58Å; Y116-P128 HydrophobicContact CD2-CG 4.19Å; Y116-P128 HydrophobicContact CE1-CB 4.26Å; Y116-P128 HydrophobicContact CE1-CG 3.63Å; Y116-P128 HydrophobicContact CE2-CB 4.31Å; Y116-P128 HydrophobicContact CE2-CG 4.24Å; Y116-P128 HydrophobicContact CG-CG 3.87Å; P128-W130 PolarHBondContact O-N 3.46Å; P128-P134 HydrophobicContact CB-CG 3.41Å; P128-P134 VanDerWaalsContact CB-CG 3.41Å; P128-P134 HydrophobicContact CG-CG 4.24Å; P128-Y135 HydrophobicContact CB-CE2 4.32Å; P128-Y135 HydrophobicContact CG-CE1 4.46Å; P128-Y135 HydrophobicContact CG-CE2 3.7Å; P128-Y135 WeakPolarHBondContact CG-OH 3.08Å
129	A	88.1	Confident	88.7	Confident	48 Å²	48	68.3 Å²	68.3	40%	0.397	39%	0.385	S	S	.	.			trans	-57.1	136.9	-176.2	0	0	0	0	0	111.9	M131 Y135	A129-M131 HydrophobicContact CB-CG 4.03Å; A129-M131 HydrophobicContact CB-SD 4.05Å; A129-M131 PolarHBondContact O-N 3.32Å; A129-Y135 WeakPolarHBondContact O-CD2 3.29Å; A129-Y135 VanDerWaalsContact O-CE2 3.29Å; A129-Y135 WeakPolarHBondContact O-CE2 3.4Å
130	W	88.3	Confident	88.6	Confident	24 Å²	24	65.6 Å²	65.6	9%	0.091	37%	0.373	C	S	.	.	S	Bend	trans	-74.3	67.4	-177.9	-62.2	103.3	0	0	0	112.9	V33 F35 W72 R74 A125 P128 Y135	V33-W130 HydrophobicContact CB-CH2 4.4Å; V33-W130 HydrophobicContact CB-CZ2 4.39Å; V33-W130 HydrophobicContact CG1-CH2 4.2Å; V33-W130 HydrophobicContact CG1-CZ2 3.73Å; F35-W130 HydrophobicContact CB-CD2 3.58Å; F35-W130 HydrophobicContact CB-CE3 4.28Å; F35-W130 HydrophobicContact CB-CG 3.69Å; F35-W130 HydrophobicContact CB-CH2 4.47Å; F35-W130 HydrophobicContact CB-CZ2 3.87Å; F35-W130 HydrophobicContact CD1-CB 3.51Å; F35-W130 AromaticContact CD1-CD1 3.58Å; F35-W130 HydrophobicContact CD1-CD2 4.25Å; F35-W130 AromaticContact CD1-CG 3.51Å; F35-W130 HydrophobicContact CD1-CG 3.51Å; F35-W130 AromaticContact CD2-CD1 3.31Å; F35-W130 HydrophobicContact CD2-CG 4.08Å; F35-W130 AromaticContact CD2-NE1 3.54Å; F35-W130 HydrophobicContact CE1-CB 3.82Å; F35-W130 HydrophobicContact CE1-CG 4.13Å; F35-W130 AromaticContact CE2-CD1 3.82Å; F35-W130 HydrophobicContact CG-CB 4.04Å; F35-W130 AromaticContact CG-CD1 3.18Å; F35-W130 AromaticContact CG-CD2 3.97Å; F35-W130 HydrophobicContact CG-CD2 3.97Å; F35-W130 AromaticContact CG-CE2 3.94Å; F35-W130 AromaticContact CG-CG 3.48Å; F35-W130 HydrophobicContact CG-CG 3.48Å; F35-W130 VanDerWaalsContact CG-CG 3.48Å; F35-W130 AromaticContact CG-NE1 3.48Å; W72-W130 HydrophobicContact CB-CD2 4.12Å; W72-W130 HydrophobicContact CB-CE3 3.31Å; W72-W130 HydrophobicContact CB-CH2 4.42Å; W72-W130 HydrophobicContact CB-CZ3 3.49Å; W72-W130 VanDerWaalsContact CB-CZ3 3.49Å; W72-W130 AromaticContact CD2-CE3 3.9Å; W72-W130 HydrophobicContact CD2-CE3 3.9Å; W72-W130 HydrophobicContact CE3-CE3 4.04Å; W72-W130 HydrophobicContact CE3-CZ3 4.47Å; W72-W130 HydrophobicContact CG-CB 4.35Å; W72-W130 HydrophobicContact CG-CD2 4.38Å; W72-W130 AromaticContact CG-CE3 3.65Å; W72-W130 HydrophobicContact CG-CE3 3.65Å; W72-W130 HydrophobicContact CG-CZ3 4.27Å; R74-W130 HydrophobicContact CB-CH2 3.43Å; R74-W130 VanDerWaalsContact CB-CH2 3.43Å; R74-W130 HydrophobicContact CB-CZ3 3.69Å; R74-W130 HydrophobicContact CG-CH2 4.48Å; A125-W130 PolarHBondContact O-NE1 2.8Å; P128-W130 PolarHBondContact O-N 3.46Å; W130-Y135 HydrophobicContact CE3-CE2 4.46Å
131	M	85.4	Confident	88.6	Confident	105 Å²	105	63.3 Å²	63.3	52%	0.517	35%	0.354	S	S	.	.	S	Bend	trans	-150.4	163.6	-176.8	61	-174.6	-74.8	0	0	111.4	A129 N133	A129-M131 HydrophobicContact CB-CG 4.03Å; A129-M131 HydrophobicContact CB-SD 4.05Å; A129-M131 PolarHBondContact O-N 3.32Å; M131-N133 WeakPolarHBondContact CG-O 3.47Å; M131-N133 PolarHBondContact O-N 2.99Å
132	E	76.1	Confident	88.3	Confident	113 Å²	113	61 Å²	61	53%	0.528	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-63.5	122.3	168.3	-59.5	-173	167	0	0	108.1	F114	F114-E132 HydrophobicContact CE1-CG 3.97Å; F114-E132 HydrophobicContact CZ-CG 4.09Å
133	N	78.8	Confident	87.9	Confident	127 Å²	127	57.9 Å²	57.9	68%	0.679	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	106.6	-161.5	-57.1	-40.9	0	0	0	113.9	M131 Y135	M131-N133 WeakPolarHBondContact CG-O 3.47Å; M131-N133 PolarHBondContact O-N 2.99Å; N133-Y135 PolarHBondContact N-O 2.98Å
134	P	87.3	Confident	87.6	Confident	54 Å²	54	64.6 Å²	64.6	35%	0.351	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	cis	-95.2	-2.3	23.8	37.3	-37.8	0	0	0	114.6	Y116 P128 I136	Y116-P134 HydrophobicContact CD2-CB 3.89Å; Y116-P134 HydrophobicContact CD2-CG 4.05Å; Y116-P134 HydrophobicContact CE2-CB 3.7Å; Y116-P134 HydrophobicContact CE2-CG 3.9Å; P128-P134 HydrophobicContact CB-CG 3.41Å; P128-P134 VanDerWaalsContact CB-CG 3.41Å; P128-P134 HydrophobicContact CG-CG 4.24Å; P134-I136 PolarHBondContact O-N 2.8Å
135	Y	91.6	Very high	87.3	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.008	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-71.1	128.4	172.4	-70.4	-87.2	0	0	0	110.1	W72 R74 F114 Y115 P128 A129 W130 N133 A177	W72-Y135 HydrophobicContact CZ3-CG 4.47Å; R74-Y135 WeakPolarHBondContact CD-OH 3.29Å; R74-Y135 PolarHBondContact NH1-OH 3.39Å; F114-Y135 HydrophobicContact CB-CD1 4.41Å; Y115-Y135 WeakPolarHBondContact O-CA 3.43Å; P128-Y135 HydrophobicContact CB-CE2 4.32Å; P128-Y135 HydrophobicContact CG-CE1 4.46Å; P128-Y135 HydrophobicContact CG-CE2 3.7Å; P128-Y135 WeakPolarHBondContact CG-OH 3.08Å; A129-Y135 WeakPolarHBondContact O-CD2 3.29Å; A129-Y135 VanDerWaalsContact O-CE2 3.29Å; A129-Y135 WeakPolarHBondContact O-CE2 3.4Å; W130-Y135 HydrophobicContact CE3-CE2 4.46Å; N133-Y135 PolarHBondContact N-O 2.98Å; Y135-A177 HydrophobicContact CD1-CB 3.93Å; Y135-A177 HydrophobicContact CE1-CB 3.79Å
136	I	93.3	Very high	87.3	Confident	73 Å²	73	65.5 Å²	65.5	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.8	178.1	-58.6	171.7	0	0	0	108.1	F114 Y115 P134 V138	F114-I136 CarbonylContact C-O 3.56Å; F114-I136 WeakPolarHBondContact CA-O 3.45Å; Y115-I136 HydrophobicContact CD1-CB 3.99Å; Y115-I136 HydrophobicContact CD1-CG2 4.29Å; Y115-I136 WeakPolarHBondContact CD1-O 3.32Å; Y115-I136 HydrophobicContact CE1-CB 3.6Å; Y115-I136 HydrophobicContact CE1-CD1 4.4Å; Y115-I136 HydrophobicContact CE1-CG2 3.51Å; Y115-I136 HydrophobicContact CE2-CD1 4.08Å; Y115-I136 PolarHBondContact N-O 3.34Å; Y115-I136 PolarHBondContact O-N 3.41Å; P134-I136 PolarHBondContact O-N 2.8Å; I136-V138 PolarHBondContact O-N 3.44Å
137	K	94.2	Very high	87.1	Confident	106 Å²	106	60.5 Å²	60.5	46%	0.461	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.2	178.2	-174.2	171.6	172	168	0	110.3	T112 F114 T140	T112-K137 HydrophobicContact CG2-CD 3.92Å; T112-K137 HydrophobicContact CG2-CG 3.81Å; F114-K137 HydrophobicContact CD1-CB 3.85Å; F114-K137 HydrophobicContact CD1-CG 4.44Å; F114-K137 HydrophobicContact CE1-CB 3.54Å; F114-K137 HydrophobicContact CE1-CD 4.45Å; F114-K137 HydrophobicContact CE1-CG 3.98Å; F114-K137 HydrophobicContact CZ-CB 4.27Å; F114-K137 HydrophobicContact CZ-CD 4.42Å; F114-K137 HydrophobicContact CZ-CG 4.22Å; K137-T140 VanDerWaalsContact CE-OG1 3.24Å; K137-T140 WeakPolarHBondContact CE-OG1 3.21Å; K137-T140 PolarHBondContact NZ-OG1 3.35Å
138	V	93.3	Very high	86.6	Confident	35 Å²	35	63.5 Å²	63.5	21%	0.212	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-63.4	173.7	-178.3	0	0	0	0	109.6	V113 Y115 I136 L164 L166	V113-V138 HydrophobicContact CB-CB 4.3Å; V113-V138 HydrophobicContact CG1-CB 4.24Å; V113-V138 HydrophobicContact CG1-CG2 4.25Å; V113-V138 WeakPolarHBondContact O-CB 3.28Å; V113-V138 PolarHBondContact O-N 2.84Å; Y115-V138 HydrophobicContact CD1-CG2 3.54Å; Y115-V138 HydrophobicContact CE1-CG2 4.26Å; Y115-V138 HydrophobicContact CG-CG2 4.45Å; I136-V138 PolarHBondContact O-N 3.44Å; V138-L164 HydrophobicContact CG1-CB 4.01Å; V138-L164 HydrophobicContact CG1-CD1 4.26Å; V138-L166 HydrophobicContact CG2-CG 4.17Å
139	D	93.1	Very high	85.4	Confident	66 Å²	66	69.6 Å²	69.6	35%	0.353	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	159.8	-178.2	-160.8	5	0	0	0	110.7	T112 V113 L164	T112-D139 WeakPolarHBondContact CG2-O 3.28Å; V113-D139 PolarHBondContact N-O 2.89Å; V113-D139 PolarHBondContact O-N 2.88Å; D139-L164 HydrophobicContact CB-CD2 3.94Å
140	T	92.6	Very high	84	Confident	51 Å²	51	75.5 Å²	75.5	31%	0.313	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110.4	166	-65.2	0	0	0	0	108.5	T110 F111 T112 K137	T110-T140 HydrophobicContact CG2-CG2 4.42Å; F111-T140 CarbonylContact O-C 3.48Å; F111-T140 WeakPolarHBondContact O-CA 3.31Å; T112-T140 PolarHBondContact OG1-OG1 2.97Å; K137-T140 VanDerWaalsContact CE-OG1 3.24Å; K137-T140 WeakPolarHBondContact CE-OG1 3.21Å; K137-T140 PolarHBondContact NZ-OG1 3.35Å
141	V	91.9	Very high	82.2	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.2	-173.9	-177.1	0	0	0	0	110.2	L90 F92 T110 F111 V113 K162 L164	L90-V141 HydrophobicContact CD1-CG2 4.39Å; F92-V141 HydrophobicContact CE1-CG1 3.77Å; F92-V141 HydrophobicContact CE2-CG1 4.49Å; F92-V141 HydrophobicContact CZ-CG1 3.58Å; T110-V141 VanDerWaalsContact CA-O 3.22Å; T110-V141 WeakPolarHBondContact CA-O 3.29Å; F111-V141 HydrophobicContact CD1-CB 4.08Å; F111-V141 HydrophobicContact CD1-CG1 4.39Å; F111-V141 HydrophobicContact CD2-CB 4.49Å; F111-V141 HydrophobicContact CE1-CB 3.63Å; F111-V141 HydrophobicContact CE1-CG1 3.55Å; F111-V141 HydrophobicContact CE2-CB 4.07Å; F111-V141 HydrophobicContact CE2-CG2 4.18Å; F111-V141 HydrophobicContact CZ-CB 3.63Å; F111-V141 HydrophobicContact CZ-CG1 3.63Å; F111-V141 HydrophobicContact CZ-CG2 4.05Å; F111-V141 PolarHBondContact N-O 2.78Å; F111-V141 PolarHBondContact O-N 3.47Å; V113-V141 HydrophobicContact CG2-CG2 3.85Å; V141-K162 HydrophobicContact CG1-CB 4.22Å; V141-K162 HydrophobicContact CG1-CG 4.03Å; V141-K162 HydrophobicContact CG2-CG 4.44Å; V141-L164 HydrophobicContact CG2-CD1 3.89Å; V141-L164 HydrophobicContact CG2-CD2 4.28Å
142	A	88.3	Confident	80.6	Confident	59 Å²	59	80.3 Å²	80.3	49%	0.488	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	151.3	167.9	0	0	0	0	0	110.4	T110	T110-A142 HydrophobicContact CG2-CB 3.86Å
143	A	83.6	Confident	79.3	Confident	20 Å²	20	77.7 Å²	77.7	17%	0.165	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-79.7	137.5	171.7	0	0	0	0	0	111.2	F92 M94 L146	F92-A143 HydrophobicContact CE2-CB 3.92Å; F92-A143 HydrophobicContact CZ-CB 4.43Å; M94-A143 HydrophobicContact CB-CB 3.74Å; M94-A143 HydrophobicContact CG-CB 4.26Å; M94-A143 HydrophobicContact SD-CB 3.78Å; A143-L146 HydrophobicContact CB-CD2 3.84Å
144	E	81.1	Confident	78.1	Confident	157 Å²	157	80.2 Å²	80.2	73%	0.734	44%	0.435	S	S	*	.	S	Bend	trans	-79.8	-28.3	168.7	-66.6	-177.2	175.9	0	0	111.3	N160	E144-N160 PolarHBondContact N-OD1 3.48Å
145	H	83.7	Confident	76.6	Confident	80 Å²	80	80.9 Å²	80.9	37%	0.37	44%	0.444	S	S	.	.	S	Bend	trans	-126.3	118.8	-179.7	-63	-33.7	0	0	0	110.1	K158 N160	H145-K158 HydrophobicContact CB-CB 4.08Å; H145-N160 PolarHBondContact N-OD1 3.13Å; H145-N160 PolarHBondContact O-ND2 3.49Å; H145-N160 PolarHBondContact O-OD1 3.25Å
146	L	84.1	Confident	74.9	Confident	49 Å²	49	85.7 Å²	85.7	26%	0.257	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-98.1	132.8	175.5	-62.9	168.9	0	0	0	110.2	M94 E96 E109 A143	M94-L146 HydrophobicContact CB-CD2 4.15Å; M94-L146 HydrophobicContact CG-CD2 3.87Å; M94-L146 WeakPolarHBondContact O-CA 3.35Å; M94-L146 HydrophobicContact SD-CD2 4.21Å; E96-L146 HydrophobicContact CB-CB 4Å; E96-L146 HydrophobicContact CB-CD1 4.39Å; E96-L146 HydrophobicContact CG-CD1 4.22Å; E109-L146 HydrophobicContact CB-CD2 4.14Å; E109-L146 VanDerWaalsContact CD-CD1 3.5Å; E109-L146 HydrophobicContact CG-CD1 4.38Å; E109-L146 HydrophobicContact CG-CD2 4.08Å; E109-L146 WeakPolarHBondContact OE2-CD1 3.28Å; A143-L146 HydrophobicContact CB-CD2 3.84Å
147	T	80.6	Confident	73.2	Confident	18 Å²	18	83.8 Å²	83.8	11%	0.11	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-73.9	126.2	174.4	-56.4	0	0	0	0	109	M94 L95 E96 A155 G157	M94-T147 PolarHBondContact O-N 3.01Å; M94-T147 PolarHBondContact O-OG1 3.36Å; L95-T147 HydrophobicContact CD1-CG2 4.16Å; L95-T147 WeakPolarHBondContact CD1-O 3.35Å; E96-T147 PolarHBondContact N-O 3.46Å; T147-A155 HydrophobicContact CG2-CB 4.02Å; T147-G157 WeakPolarHBondContact OG1-CA 3.47Å
148	R	75.1	Confident	72.2	Confident	130 Å²	130	85.4 Å²	85.4	49%	0.491	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-102.7	125.6	174.2	-64.6	-170.2	166.9	153.4	3.1	109.6	E96	E96-R148 IonicContact OE1-CZ 3.26Å; E96-R148 IonicContact OE1-NE 3.42Å; E96-R148 PolarHBondContact OE1-NE 2.98Å; E96-R148 IonicContact OE1-NH2 3.01Å; E96-R148 PolarHBondContact OE1-NH2 2.83Å; E96-R148 WeakPolarHBondContact OE2-CG 3.33Å; E96-R148 IonicContact OE2-CZ 2.83Å; E96-R148 IonicContact OE2-NE 3.64Å; E96-R148 PolarHBondContact OE2-NE 3.48Å
149	K	63.9	Low	71.9	Confident	144 Å²	144	86 Å²	86	63%	0.626	48%	0.483	S	S	*	.			trans	-110.4	92.9	175.7	-162.9	173.1	-175.3	175.9	0	108.8	L95	L95-K149 HydrophobicContact CD1-CB 4.2Å
150	R	58.1	Low	71.7	Confident	173 Å²	173	83.2 Å²	83.2	65%	0.653	47%	0.468	S	S	*	.			trans	-79.3	139.8	171.4	-81.4	-175	-98.2	-173	-5.4	109.3	G152 A153	R150-G152 PolarHBondContact O-N 2.77Å; R150-G152 VanDerWaalsContact O-N 3.11Å; R150-A153 HydrophobicContact CB-CB 4.21Å; R150-A153 PolarHBondContact O-N 3.33Å
151	P	51.3	Low	71.7	Confident	137 Å²	137	84.3 Å²	84.3	89%	0.89	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	118.9	175.4	-20.8	31.1	0	0	0	110.3
152	G	50.3	Low	71.8	Confident	93 Å²	93	88 Å²	88	96%	0.959	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	7.6	177.6	0	0	0	0	0	117.1	R150	R150-G152 PolarHBondContact O-N 2.77Å; R150-G152 VanDerWaalsContact O-N 3.11Å
153	A	50.2	Low	72.1	Confident	57 Å²	57	88.7 Å²	88.7	47%	0.471	49%	0.489	S	S	.	.	S	Bend	trans	-119.8	148.3	174.6	0	0	0	0	0	111.9	R150	R150-A153 HydrophobicContact CB-CB 4.21Å; R150-A153 PolarHBondContact O-N 3.33Å
154	E	51.9	Low	72.6	Confident	181 Å²	181	88.1 Å²	88.1	85%	0.846	48%	0.483	S	S	*	.			trans	-59.7	143.1	173.3	-74.9	179.8	161.9	0	0	111.1	T156	E154-T156 PolarHBondContact O-N 2.84Å
155	A	56.2	Low	73.1	Confident	67 Å²	67	85.1 Å²	85.1	55%	0.554	47%	0.465	S	S	*	.			trans	-66.2	115.5	-179.5	0	0	0	0	0	110.4	T147 G157	T147-A155 HydrophobicContact CG2-CB 4.02Å; A155-G157 VanDerWaalsContact C-N 3.28Å; A155-G157 PolarHBondContact O-N 3.33Å
156	T	55.5	Low	73.5	Confident	104 Å²	104	81.4 Å²	81.4	64%	0.638	45%	0.448	S	S	*	.			trans	-90.3	28.6	-175.8	62.3	0	0	0	0	113.7	E154	E154-T156 PolarHBondContact O-N 2.84Å
157	G	58.9	Low	73.6	Confident	32 Å²	32	80 Å²	80	33%	0.33	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-79.9	137.7	-174.2	0	0	0	0	0	113.2	T147 A155	T147-G157 WeakPolarHBondContact OG1-CA 3.47Å; A155-G157 VanDerWaalsContact C-N 3.28Å; A155-G157 PolarHBondContact O-N 3.33Å
158	K	73.5	Confident	74.1	Confident	141 Å²	141	83.4 Å²	83.4	61%	0.613	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-94.3	147.9	169.7	-70.8	-177.3	178.7	-178.5	0	110.2	H145	H145-K158 HydrophobicContact CB-CB 4.08Å
159	V	85.9	Confident	74.8	Confident	48 Å²	48	77.5 Å²	77.5	29%	0.291	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-68	130.1	172.8	177.5	0	0	0	0	109.5	R91 T93 L188	R91-V159 HydrophobicContact CB-CG1 4.03Å; T93-V159 HydrophobicContact CG2-CG2 4.37Å; V159-L188 HydrophobicContact CB-CD1 4.42Å; V159-L188 HydrophobicContact CG1-CD1 3.88Å; V159-L188 HydrophobicContact CG2-CD1 3.71Å
160	N	89.1	Confident	76.1	Confident	6 Å²	6	75 Å²	75	3%	0.032	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.6	172.1	-63.3	-87.4	0	0	0	109.5	R91 F92 E144 H145	R91-N160 CarbonylContact C-O 3.43Å; R91-N160 VanDerWaalsContact CA-O 3.28Å; R91-N160 WeakPolarHBondContact CA-O 3.44Å; F92-N160 HydrophobicContact CD1-CB 3.99Å; F92-N160 HydrophobicContact CD2-CB 4.18Å; F92-N160 HydrophobicContact CE1-CB 3.64Å; F92-N160 HydrophobicContact CE2-CB 3.86Å; F92-N160 HydrophobicContact CG-CB 4.24Å; F92-N160 HydrophobicContact CZ-CB 3.56Å; F92-N160 PolarHBondContact N-O 3.21Å; F92-N160 WeakPolarHBondContact O-CB 3.45Å; F92-N160 PolarHBondContact O-N 2.95Å; F92-N160 PolarHBondContact O-ND2 2.84Å; E144-N160 PolarHBondContact N-OD1 3.48Å; H145-N160 PolarHBondContact N-OD1 3.13Å; H145-N160 PolarHBondContact O-ND2 3.49Å; H145-N160 PolarHBondContact O-OD1 3.25Å
161	V	92.7	Very high	77.8	Confident	75 Å²	75	70 Å²	70	46%	0.455	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.6	174.8	-171.1	0	0	0	0	109	T89 L90 R91	T89-V161 HydrophobicContact CG2-CG1 3.76Å; L90-V161 CarbonylContact O-C 3.6Å; L90-V161 VanDerWaalsContact O-CA 3.3Å; L90-V161 WeakPolarHBondContact O-CA 3.4Å; R91-V161 HydrophobicContact CG-CG1 4.47Å; R91-V161 HydrophobicContact CG-CG2 4.18Å
162	K	93.1	Very high	79.9	Confident	76 Å²	76	65.7 Å²	65.7	33%	0.33	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.7	178.4	-173.6	72.6	173.3	-174.3	0	110.1	T89 L90 F92 V141 L164	T89-K162 WeakPolarHBondContact CA-O 3.25Å; L90-K162 PolarHBondContact N-O 3.42Å; L90-K162 PolarHBondContact O-N 3.38Å; F92-K162 HydrophobicContact CE1-CB 4.1Å; V141-K162 HydrophobicContact CG1-CB 4.22Å; V141-K162 HydrophobicContact CG1-CG 4.03Å; V141-K162 HydrophobicContact CG2-CG 4.44Å; K162-L164 HydrophobicContact CD-CD2 4.43Å; K162-L164 HydrophobicContact CG-CD2 3.76Å; K162-L164 HydrophobicContact CG-CG 4.2Å
163	T	94.5	Very high	82.1	Confident	75 Å²	75	61.3 Å²	61.3	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.8	171.4	-55.1	0	0	0	0	109.7	Y87 A88 T89	Y87-T163 HydrophobicContact CD1-CG2 4.32Å; A88-T163 CarbonylContact O-C 3.43Å; A88-T163 WeakPolarHBondContact O-CA 3.32Å; T89-T163 PolarHBondContact OG1-OG1 2.85Å
164	L	94.4	Very high	84.3	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.042	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.4	178.7	-57	177.5	0	0	0	110	Y87 A88 L90 V113 V138 D139 V141 K162	Y87-L164 CarbonylContact C-O 3.55Å; Y87-L164 VanDerWaalsContact CA-O 3.29Å; Y87-L164 WeakPolarHBondContact CA-O 3.43Å; A88-L164 HydrophobicContact CB-CB 4.46Å; A88-L164 PolarHBondContact N-O 2.99Å; A88-L164 PolarHBondContact O-N 3.22Å; L90-L164 HydrophobicContact CD1-CD1 3.74Å; L90-L164 HydrophobicContact CD1-CG 4.44Å; V113-L164 HydrophobicContact CB-CD1 3.84Å; V113-L164 HydrophobicContact CG1-CD1 3.98Å; V113-L164 HydrophobicContact CG2-CD1 3.71Å; V138-L164 HydrophobicContact CG1-CB 4.01Å; V138-L164 HydrophobicContact CG1-CD1 4.26Å; D139-L164 HydrophobicContact CB-CD2 3.94Å; V141-L164 HydrophobicContact CG2-CD1 3.89Å; V141-L164 HydrophobicContact CG2-CD2 4.28Å; K162-L164 HydrophobicContact CD-CD2 4.43Å; K162-L164 HydrophobicContact CG-CD2 3.76Å; K162-L164 HydrophobicContact CG-CG 4.2Å
165	R	92.2	Very high	86.4	Confident	93 Å²	93	50 Å²	50	35%	0.351	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.9	176.6	-173.3	179.9	-175.3	-101.3	14.5	109.6	H85 Y87 E241	H85-R165 PolarHBondContact CD2-NH2 3Å; H85-R165 VanDerWaalsContact CE1-CZ 3.48Å; H85-R165 PolarHBondContact CE1-NH1 3.34Å; H85-R165 PolarHBondContact CE1-NH2 3.48Å; H85-R165 PolarHBondContact ND1-NH1 3.11Å; H85-R165 PolarHBondContact NE2-NH2 2.87Å; H85-R165 VanDerWaalsContact NE2-NH2 3.11Å; Y87-R165 HydrophobicContact CD1-CB 4.38Å; Y87-R165 HydrophobicContact CD1-CG 4.45Å; Y87-R165 HydrophobicContact CE1-CB 4.3Å; Y87-R165 HydrophobicContact CE1-CG 4.05Å; R165-E241 IonicContact CZ-OE2 3.41Å; R165-E241 IonicContact NH2-OE2 3.93Å; R165-E241 PolarHBondContact NH2-OE2 3.48Å
166	L	92.6	Very high	88.3	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.8	177.8	-72.4	81.8	0	0	0	110.8	H85 V86 A88 Y115 V138 F174 L176	H85-L166 WeakPolarHBondContact CA-O 3.48Å; H85-L166 PolarHBondContact ND1-O 3.43Å; V86-L166 HydrophobicContact CB-CB 4.28Å; V86-L166 PolarHBondContact N-O 3.14Å; V86-L166 VanDerWaalsContact N-O 3.17Å; V86-L166 WeakPolarHBondContact O-CB 3.35Å; V86-L166 PolarHBondContact O-N 3.04Å; A88-L166 HydrophobicContact CB-CD1 3.56Å; Y115-L166 HydrophobicContact CG-CD2 4.15Å; V138-L166 HydrophobicContact CG2-CG 4.17Å; L166-F174 HydrophobicContact CD2-CD2 4.22Å; L166-F174 HydrophobicContact CD2-CE2 4.01Å; L166-L176 HydrophobicContact CD1-CD1 4.45Å; L166-L176 HydrophobicContact CD2-CD1 3.58Å; L166-L176 HydrophobicContact CG-CD1 4.47Å
167	G	86.2	Confident	90.3	Very high	20 Å²	20	41.9 Å²	41.9	21%	0.206	24%	0.241	C	C	.	.			trans	97.6	-173.4	176.6	0	0	0	0	0	114.4
168	P	89.6	Confident	92	Very high	89 Å²	89	40.3 Å²	40.3	58%	0.578	23%	0.225	S	C	*	.			cis	-68.7	128.8	17.2	27.4	-34	0	0	0	113.2	V84	V84-P168 HydrophobicContact CG1-CB 3.87Å; V84-P168 CarbonylContact O-C 3.52Å; V84-P168 WeakPolarHBondContact O-CA 3.42Å
169	L	91	Very high	93	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	20%	0.198	C	C	.	.			trans	-89.9	132.3	179	-60.2	179.4	0	0	0	110.4	R80 V84 V86 Y115 E117 F174	R80-L169 VanDerWaalsContact CD-CB 3.47Å; R80-L169 HydrophobicContact CG-CB 4.44Å; R80-L169 HydrophobicContact CG-CD1 4.3Å; V84-L169 PolarHBondContact O-N 3.44Å; V86-L169 HydrophobicContact CB-CD1 4.28Å; V86-L169 HydrophobicContact CG2-CD1 3.63Å; Y115-L169 HydrophobicContact CD2-CD2 3.78Å; Y115-L169 HydrophobicContact CE2-CD2 3.49Å; Y115-L169 VanDerWaalsContact CE2-CD2 3.49Å; E117-L169 HydrophobicContact CG-CD2 3.85Å; E117-L169 WeakPolarHBondContact OE2-CA 3.45Å; L169-F174 HydrophobicContact CD1-CD1 3.58Å; L169-F174 HydrophobicContact CD1-CE1 3.79Å; L169-F174 HydrophobicContact CD1-CG 4.15Å; L169-F174 HydrophobicContact CD1-CZ 4.5Å
170	S	91.4	Very high	93.2	Very high	90 Å²	90	31.9 Å²	31.9	63%	0.629	19%	0.185	S	C	*	.			trans	-111.3	-35.7	-175.9	60.9	0	0	0	0	113.3	E117	E117-S170 PolarHBondContact OE2-N 3.36Å; E117-S170 PolarHBondContact OE2-OG 3.2Å
171	K	94.1	Very high	93.1	Very high	70 Å²	70	35.2 Å²	35.2	30%	0.304	20%	0.2	S	C	.	.	S	Bend	trans	-83	176.2	-174.8	-60.2	-162.6	-168.1	169.1	0	113.5	R80 E117 D119 G173	R80-K171 WeakPolarHBondContact CD-O 3.19Å; R80-K171 PolarHBondContact NE-O 3.49Å; E117-K171 HydrophobicContact CB-CB 4.04Å; E117-K171 HydrophobicContact CB-CD 3.87Å; E117-K171 HydrophobicContact CB-CG 3.94Å; E117-K171 WeakPolarHBondContact O-CD 3.43Å; E117-K171 PolarHBondContact O-NZ 3.19Å; E117-K171 PolarHBondContact OE2-N 3.36Å; D119-K171 WeakPolarHBondContact OD1-CB 3.18Å; K171-G173 VanDerWaalsContact C-N 3.29Å; K171-G173 PolarHBondContact O-N 2.95Å
172	A	94.3	Very high	92.7	Very high	46 Å²	46	32.1 Å²	32.1	38%	0.38	18%	0.183	S	C	.	.	S	Bend	trans	-65.3	-28.5	-177.1	0	0	0	0	0	114.3	W77 R80 D119	W77-A172 HydrophobicContact CZ2-CB 4.27Å; R80-A172 VanDerWaalsContact CB-O 3.29Å; R80-A172 WeakPolarHBondContact CB-O 3.35Å; R80-A172 PolarHBondContact N-O 3.31Å; D119-A172 HydrophobicContact CB-CB 4.44Å; D119-A172 WeakPolarHBondContact O-CB 3.33Å; D119-A172 PolarHBondContact OD1-N 2.91Å
173	G	95.8	Very high	92.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-174.9	177.2	0	0	0	0	0	112.5	V78 S118 K171	V78-G173 CarbonylContact O-C 3.56Å; V78-G173 WeakPolarHBondContact O-CA 2.98Å; S118-G173 PolarHBondContact N-O 3.48Å; S118-G173 CarbonylContact O-C 3.59Å; S118-G173 PolarHBondContact O-N 2.79Å; K171-G173 VanDerWaalsContact C-N 3.29Å; K171-G173 PolarHBondContact O-N 2.95Å
174	F	96.7	Very high	92.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	164	-175.5	64.7	-79.7	0	0	0	111.6	L20 V78 V86 Y116 E117 L166 L169 L192	L20-F174 HydrophobicContact CD1-CE1 4.2Å; L20-F174 HydrophobicContact CD1-CZ 4.33Å; V78-F174 HydrophobicContact CB-CE1 4.14Å; V78-F174 HydrophobicContact CB-CE2 4.35Å; V78-F174 HydrophobicContact CB-CZ 4.02Å; V78-F174 HydrophobicContact CG1-CE1 4.02Å; V78-F174 HydrophobicContact CG1-CZ 3.88Å; V78-F174 PolarHBondContact N-O 2.69Å; V78-F174 PolarHBondContact O-N 3Å; V86-F174 HydrophobicContact CB-CZ 4.26Å; V86-F174 HydrophobicContact CG1-CZ 3.89Å; V86-F174 HydrophobicContact CG2-CE1 3.98Å; V86-F174 HydrophobicContact CG2-CZ 4.08Å; Y116-F174 CarbonylContact O-C 3.58Å; Y116-F174 WeakPolarHBondContact O-CA 3.23Å; Y116-F174 WeakPolarHBondContact O-CB 3.38Å; E117-F174 HydrophobicContact CG-CB 4.45Å; L166-F174 HydrophobicContact CD2-CD2 4.22Å; L166-F174 HydrophobicContact CD2-CE2 4.01Å; L169-F174 HydrophobicContact CD1-CD1 3.58Å; L169-F174 HydrophobicContact CD1-CE1 3.79Å; L169-F174 HydrophobicContact CD1-CG 4.15Å; L169-F174 HydrophobicContact CD1-CZ 4.5Å; F174-L192 HydrophobicContact CE2-CD1 3.97Å; F174-L192 HydrophobicContact CZ-CD1 4.04Å
175	Y	96.4	Very high	91.9	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.1	169	-57	-93.3	0	0	0	108.8	R74 T75 W77 Y115 Y116 D121 T122 A123	R74-Y175 HydrophobicContact CG-CD1 4.36Å; R74-Y175 HydrophobicContact CG-CG 4.43Å; T75-Y175 WeakPolarHBondContact O-CD1 3.29Å; W77-Y175 VanDerWaalsContact CA-CE1 3.47Å; W77-Y175 HydrophobicContact CB-CD1 4.22Å; W77-Y175 HydrophobicContact CB-CE1 3.5Å; W77-Y175 HydrophobicContact CB-CE2 4.47Å; W77-Y175 AromaticContact CD1-CE2 3.62Å; W77-Y175 AromaticContact CD1-CZ 3.61Å; W77-Y175 HydrophobicContact CG-CE1 4.3Å; W77-Y175 HydrophobicContact CG-CE2 4.45Å; Y115-Y175 CarbonylContact C-O 3.57Å; Y115-Y175 WeakPolarHBondContact CA-O 3.41Å; Y115-Y175 WeakPolarHBondContact CB-O 3.49Å; Y116-Y175 AromaticContact CD1-CD2 3.74Å; Y116-Y175 HydrophobicContact CD1-CD2 3.74Å; Y116-Y175 HydrophobicContact CD1-CE2 4.17Å; Y116-Y175 HydrophobicContact CE1-CD2 4.47Å; Y116-Y175 HydrophobicContact CE1-CE2 4.47Å; Y116-Y175 PolarHBondContact N-O 3.39Å; Y116-Y175 PolarHBondContact O-N 2.95Å; D121-Y175 VanDerWaalsContact CA-OH 3.22Å; D121-Y175 WeakPolarHBondContact CA-OH 3.49Å; D121-Y175 PolarHBondContact OD1-OH 2.92Å; T122-Y175 PolarHBondContact N-OH 3.3Å; A123-Y175 HydrophobicContact CB-CD1 4.42Å; A123-Y175 HydrophobicContact CB-CD2 4.37Å; A123-Y175 HydrophobicContact CB-CE1 3.75Å; A123-Y175 HydrophobicContact CB-CE2 3.67Å; A123-Y175 VanDerWaalsContact CB-OH 3.3Å; A123-Y175 WeakPolarHBondContact CB-OH 2.94Å; A123-Y175 PolarHBondContact N-OH 2.72Å
176	L	96.9	Very high	91.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.4	167.7	-168.6	77.7	0	0	0	108.6	R74 T75 V113 F114 L166 F178 L190 L192	R74-L176 CarbonylContact C-O 3.53Å; R74-L176 WeakPolarHBondContact CA-O 3.4Å; T75-L176 HydrophobicContact CG2-CB 3.77Å; T75-L176 PolarHBondContact N-O 2.88Å; T75-L176 PolarHBondContact OG1-N 2.82Å; T75-L176 PolarHBondContact OG1-O 3.38Å; V113-L176 HydrophobicContact CG1-CD1 3.69Å; V113-L176 HydrophobicContact CG1-CD2 4.49Å; V113-L176 HydrophobicContact CG1-CG 4.15Å; F114-L176 WeakPolarHBondContact O-CD1 3.42Å; L166-L176 HydrophobicContact CD1-CD1 4.45Å; L166-L176 HydrophobicContact CD2-CD1 3.58Å; L166-L176 HydrophobicContact CG-CD1 4.47Å; L176-F178 HydrophobicContact CD2-CE1 4.12Å; L176-F178 HydrophobicContact CD2-CE2 3.87Å; L176-F178 HydrophobicContact CD2-CZ 3.39Å; L176-F178 HydrophobicContact CG-CE2 4.26Å; L176-F178 HydrophobicContact CG-CZ 4.13Å; L176-L190 HydrophobicContact CD2-CD1 3.64Å; L176-L190 HydrophobicContact CD2-CD2 3.68Å; L176-L190 HydrophobicContact CD2-CG 4.34Å; L176-L192 HydrophobicContact CD2-CD2 4.35Å
177	A	96.3	Very high	91.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.6	177.2	0	0	0	0	0	111.8	W72 L73 R74 V113 F114 Y135	W72-A177 HydrophobicContact CE3-CB 4.23Å; W72-A177 HydrophobicContact CZ3-CB 4.42Å; L73-A177 CarbonylContact O-C 3.41Å; L73-A177 WeakPolarHBondContact O-CA 3.17Å; R74-A177 HydrophobicContact CB-CB 4.29Å; R74-A177 HydrophobicContact CG-CB 4.32Å; V113-A177 CarbonylContact C-O 3.56Å; V113-A177 WeakPolarHBondContact CA-O 3.45Å; F114-A177 HydrophobicContact CB-CB 4.22Å; F114-A177 PolarHBondContact N-O 2.98Å; F114-A177 PolarHBondContact O-N 2.71Å; Y135-A177 HydrophobicContact CD1-CB 3.93Å; Y135-A177 HydrophobicContact CE1-CB 3.79Å
178	F	96.3	Very high	92.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	128.1	-179.7	-55.5	-91.4	0	0	0	108.1	W32 W42 W72 L73 T75 L90 F111 T112 V113 L176 L187 L190	W32-F178 HydrophobicContact CE3-CE2 4.47Å; W32-F178 HydrophobicContact CH2-CE2 4.47Å; W32-F178 HydrophobicContact CZ3-CD2 4.49Å; W32-F178 AromaticContact CZ3-CE2 3.77Å; W32-F178 HydrophobicContact CZ3-CE2 3.77Å; W42-F178 HydrophobicContact CZ2-CB 4.06Å; W72-F178 CarbonylContact C-O 3.49Å; W72-F178 VanDerWaalsContact CA-O 3.23Å; W72-F178 WeakPolarHBondContact CA-O 3.16Å; L73-F178 HydrophobicContact CB-CB 4.31Å; L73-F178 HydrophobicContact CB-CD2 4.45Å; L73-F178 HydrophobicContact CD2-CD2 4.09Å; L73-F178 HydrophobicContact CG-CD2 4.26Å; L73-F178 PolarHBondContact N-O 2.8Å; L73-F178 PolarHBondContact O-N 3.01Å; T75-F178 HydrophobicContact CG2-CE2 4.34Å; L90-F178 HydrophobicContact CD1-CE1 4.15Å; L90-F178 HydrophobicContact CD2-CE1 3.77Å; L90-F178 HydrophobicContact CD2-CZ 4.02Å; F111-F178 HydrophobicContact CD2-CD1 4.21Å; F111-F178 AromaticContact CE2-CD1 3.87Å; F111-F178 HydrophobicContact CE2-CD1 3.87Å; F111-F178 HydrophobicContact CE2-CE1 4.38Å; T112-F178 CarbonylContact O-C 3.55Å; T112-F178 WeakPolarHBondContact O-CA 3.13Å; V113-F178 HydrophobicContact CG1-CE1 4.49Å; V113-F178 HydrophobicContact CG2-CD1 3.96Å; V113-F178 HydrophobicContact CG2-CE1 4.15Å; L176-F178 HydrophobicContact CD2-CE1 4.12Å; L176-F178 HydrophobicContact CD2-CE2 3.87Å; L176-F178 HydrophobicContact CD2-CZ 3.39Å; L176-F178 HydrophobicContact CG-CE2 4.26Å; L176-F178 HydrophobicContact CG-CZ 4.13Å; F178-L187 HydrophobicContact CD1-CD2 4.4Å; F178-L187 HydrophobicContact CD2-CD2 4.3Å; F178-L187 HydrophobicContact CE1-CD1 4.45Å; F178-L187 HydrophobicContact CE1-CD2 3.99Å; F178-L187 HydrophobicContact CE2-CD2 3.89Å; F178-L187 HydrophobicContact CZ-CD2 3.7Å; F178-L190 HydrophobicContact CZ-CD1 4.49Å; F178-L190 HydrophobicContact CZ-CD2 4.39Å
179	Q	93.3	Very high	92.2	Very high	12 Å²	12	19.3 Å²	19.3	6%	0.056	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	120.5	178.3	-170.5	-165.6	62.8	0	0	109.6	A70 H71 W72 T112 F114 Q181	A70-Q179 HydrophobicContact CB-CG 3.83Å; H71-Q179 CarbonylContact O-C 3.39Å; H71-Q179 WeakPolarHBondContact O-CA 3.4Å; W72-Q179 HydrophobicContact CD2-CB 4.09Å; W72-Q179 HydrophobicContact CD2-CG 3.99Å; W72-Q179 VanDerWaalsContact CE2-NE2 3.33Å; W72-Q179 HydrophobicContact CE3-CB 4Å; W72-Q179 HydrophobicContact CE3-CG 4.38Å; W72-Q179 HydrophobicContact CG-CG 4.48Å; W72-Q179 HydrophobicContact CH2-CB 4.37Å; W72-Q179 HydrophobicContact CH2-CG 4.42Å; W72-Q179 HydrophobicContact CZ2-CB 4.47Å; W72-Q179 HydrophobicContact CZ2-CG 4.05Å; W72-Q179 HydrophobicContact CZ3-CB 4.14Å; T112-Q179 PolarHBondContact N-O 2.76Å; T112-Q179 PolarHBondContact O-N 2.75Å; F114-Q179 HydrophobicContact CD2-CB 4.08Å; F114-Q179 HydrophobicContact CE2-CB 3.69Å; F114-Q179 HydrophobicContact CE2-CG 4.47Å; Q179-Q181 HydrophobicContact CG-CG 4.46Å
180	D	90	Very high	92.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.1	170.5	166.2	51.7	0	0	0	110.6	W42 V60 R65 A70 H71 G182 A183	W42-D180 HydrophobicContact CZ2-CB 4.17Å; V60-D180 HydrophobicContact CG1-CB 4.12Å; R65-D180 IonicContact CZ-OD2 2.76Å; R65-D180 IonicContact NH1-OD2 3.49Å; R65-D180 PolarHBondContact NH1-OD2 2.7Å; R65-D180 PolarHBondContact NH2-O 3.37Å; R65-D180 IonicContact NH2-OD2 3.69Å; R65-D180 PolarHBondContact NH2-OD2 3.29Å; A70-D180 WeakPolarHBondContact CA-O 3.48Å; H71-D180 HydrophobicContact CB-CB 4.34Å; H71-D180 PolarHBondContact N-O 3.27Å; H71-D180 PolarHBondContact O-N 3.36Å; D180-G182 PolarHBondContact OD1-N 2.87Å; D180-A183 WeakPolarHBondContact OD1-CA 3.15Å; D180-A183 WeakPolarHBondContact OD1-CB 3.47Å; D180-A183 PolarHBondContact OD1-N 2.76Å
181	Q	87.1	Confident	92.6	Very high	75 Å²	75	16.5 Å²	16.5	35%	0.35	9%	0.092	S	C	.	.	S	Bend	trans	-128.1	17.3	176.9	-61.9	-176.1	-3.6	0	0	113	A70 K108 Q179	A70-Q181 HydrophobicContact CB-CG 4.23Å; K108-Q181 HydrophobicContact CD-CB 4.07Å; Q179-Q181 HydrophobicContact CG-CG 4.46Å
182	G	83.8	Confident	92.7	Very high	11 Å²	11	13.2 Å²	13.2	11%	0.113	8%	0.078	C	C	.	.	S	Bend	trans	142.3	17.4	177	0	0	0	0	0	115	C107 K108 D180	C107-G182 CarbonylContact C-O 3.58Å; C107-G182 WeakPolarHBondContact CA-O 3.46Å; K108-G182 PolarHBondContact N-O 2.9Å; D180-G182 PolarHBondContact OD1-N 2.87Å
183	A	87	Confident	92.7	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.017	6%	0.061	C	C	.	.			trans	-85.4	146.4	176.8	0	0	0	0	0	112.1	M94 K108 D180 M185	M94-A183 HydrophobicContact CE-CB 4.09Å; K108-A183 WeakPolarHBondContact O-CA 3.36Å; K108-A183 WeakPolarHBondContact O-CB 3.43Å; D180-A183 WeakPolarHBondContact OD1-CA 3.15Å; D180-A183 WeakPolarHBondContact OD1-CB 3.47Å; D180-A183 PolarHBondContact OD1-N 2.76Å; A183-M185 HydrophobicContact CB-CG 4.28Å
184	C	88.1	Confident	92.6	Very high	19 Å²	19	12.1 Å²	12.1	13%	0.128	6%	0.064	C	C	.	.			trans	-106.4	99	166	-174.1	0	0	0	0	107.4	V60 C61 L95 L100	V60-C184 CarbonylContact O-C 3.57Å; V60-C184 VanDerWaalsContact O-CA 3.3Å; V60-C184 WeakPolarHBondContact O-CA 2.6Å; C61-C184 HydrophobicContact CB-CB 3.92Å; C61-C184 WeakPolarHBondContact CB-SG 3.45Å; C61-C184 WeakPolarHBondContact SG-CB 3.16Å; C61-C184 CovalentContact SG-SG 2.04Å; C61-C184 PolarHBondContact SG-SG 3.26Å; L95-C184 HydrophobicContact CB-CB 4.04Å; L95-C184 HydrophobicContact CD2-CB 4.46Å; L95-C184 PolarHBondContact N-O 2.82Å; L100-C184 HydrophobicContact CD1-CB 4.41Å
185	M	90.5	Very high	92.3	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.039	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159	-169.9	68.1	165.5	-70.7	0	0	113.3	W42 E59 V60 F92 T93 M94 F111 A183 L187	W42-M185 HydrophobicContact CH2-CE 3.8Å; W42-M185 HydrophobicContact CH2-CG 4.08Å; W42-M185 HydrophobicContact CH2-SD 3.73Å; W42-M185 HydrophobicContact CZ2-SD 4.35Å; W42-M185 HydrophobicContact CZ3-CE 4.41Å; E59-M185 WeakPolarHBondContact CA-O 3.44Å; V60-M185 HydrophobicContact CG1-CG 3.74Å; V60-M185 PolarHBondContact N-O 2.68Å; V60-M185 PolarHBondContact O-N 2.72Å; F92-M185 HydrophobicContact CB-CE 4.06Å; F92-M185 HydrophobicContact CD2-CE 4.21Å; F92-M185 HydrophobicContact CG-CE 4.36Å; T93-M185 VanDerWaalsContact O-CA 3.26Å; T93-M185 WeakPolarHBondContact O-CA 3.38Å; T93-M185 VanDerWaalsContact O-CB 3.26Å; T93-M185 WeakPolarHBondContact O-CB 3.43Å; M94-M185 HydrophobicContact CB-CB 4.43Å; M94-M185 HydrophobicContact CE-CB 4.01Å; M94-M185 HydrophobicContact CE-CG 4.5Å; M94-M185 HydrophobicContact CE-SD 4.04Å; M94-M185 HydrophobicContact CG-CB 4.46Å; F111-M185 HydrophobicContact CB-SD 3.75Å; F111-M185 HydrophobicContact CD1-CE 3.72Å; F111-M185 HydrophobicContact CD1-SD 3.33Å; F111-M185 WeakPolarHBondContact CD1-SD 3.43Å; F111-M185 HydrophobicContact CD2-CE 4.41Å; F111-M185 HydrophobicContact CD2-SD 4.26Å; F111-M185 HydrophobicContact CE1-CE 3.63Å; F111-M185 HydrophobicContact CE1-SD 3.92Å; F111-M185 HydrophobicContact CE2-CE 4.35Å; F111-M185 HydrophobicContact CG-CE 4.11Å; F111-M185 HydrophobicContact CG-SD 3.52Å; F111-M185 VanDerWaalsContact CG-SD 3.52Å; F111-M185 HydrophobicContact CZ-CE 3.96Å; A183-M185 HydrophobicContact CB-CG 4.28Å; M185-L187 HydrophobicContact CE-CB 4.46Å
186	A	90.9	Very high	92	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.041	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.6	170.9	0	0	0	0	0	110.1	Y58 E59 F92 T93 L188	Y58-A186 CarbonylContact O-C 3.38Å; Y58-A186 WeakPolarHBondContact O-CA 3.44Å; E59-A186 HydrophobicContact CB-CB 4.47Å; E59-A186 HydrophobicContact CG-CB 3.6Å; F92-A186 CarbonylContact C-O 3.5Å; F92-A186 WeakPolarHBondContact CA-O 3.26Å; F92-A186 VanDerWaalsContact CB-O 3.23Å; F92-A186 WeakPolarHBondContact CB-O 3.3Å; T93-A186 PolarHBondContact N-O 2.77Å; T93-A186 PolarHBondContact O-N 3.2Å; T93-A186 WeakPolarHBondContact OG1-CB 3.26Å; A186-L188 HydrophobicContact CB-CD2 4.19Å; A186-L188 PolarHBondContact O-N 2.89Å
187	L	93.3	Very high	91.7	Very high	5 Å²	5	15.7 Å²	15.7	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.6	168.1	-177	65.8	0	0	0	108.6	W32 W42 T57 Y58 L73 L90 F92 F178 M185	W32-L187 HydrophobicContact CZ3-CD2 3.98Å; W42-L187 HydrophobicContact CZ3-CB 4.15Å; T57-L187 WeakPolarHBondContact CA-O 3.35Å; T57-L187 WeakPolarHBondContact CB-O 3.3Å; Y58-L187 PolarHBondContact N-O 2.92Å; Y58-L187 PolarHBondContact O-N 2.98Å; L73-L187 HydrophobicContact CD2-CD2 4.46Å; L90-L187 HydrophobicContact CB-CD1 4.47Å; L90-L187 HydrophobicContact CD2-CD1 4.41Å; F92-L187 HydrophobicContact CB-CD1 4.36Å; F178-L187 HydrophobicContact CD1-CD2 4.4Å; F178-L187 HydrophobicContact CD2-CD2 4.3Å; F178-L187 HydrophobicContact CE1-CD1 4.45Å; F178-L187 HydrophobicContact CE1-CD2 3.99Å; F178-L187 HydrophobicContact CE2-CD2 3.89Å; F178-L187 HydrophobicContact CZ-CD2 3.7Å; M185-L187 HydrophobicContact CE-CB 4.46Å
188	L	90.9	Very high	91.5	Very high	47 Å²	47	16.8 Å²	16.8	25%	0.246	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-40.8	-174.2	-57.9	-177	0	0	0	112.9	T57 R91 T93 V159 A186	T57-L188 HydrophobicContact CG2-CD2 4.05Å; R91-L188 HydrophobicContact CB-CB 4.27Å; R91-L188 WeakPolarHBondContact O-CA 3.07Å; R91-L188 WeakPolarHBondContact O-CB 3.42Å; R91-L188 PolarHBondContact O-N 2.93Å; T93-L188 HydrophobicContact CG2-CD1 3.97Å; V159-L188 HydrophobicContact CB-CD1 4.42Å; V159-L188 HydrophobicContact CG1-CD1 3.88Å; V159-L188 HydrophobicContact CG2-CD1 3.71Å; A186-L188 HydrophobicContact CB-CD2 4.19Å; A186-L188 PolarHBondContact O-N 2.89Å
189	S	92.1	Very high	91.2	Very high	8 Å²	8	21.2 Å²	21.2	6%	0.056	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	149.9	175.1	70.4	0	0	0	0	113.1	T23 R91	T23-S189 WeakPolarHBondContact OG1-CA 3.34Å; R91-S189 WeakPolarHBondContact CB-OG 3.45Å; R91-S189 VanDerWaalsContact CD-OG 3.29Å; R91-S189 WeakPolarHBondContact CD-OG 3.11Å; R91-S189 WeakPolarHBondContact CG-OG 3.43Å; R91-S189 PolarHBondContact N-O 2.75Å; R91-S189 PolarHBondContact O-N 2.88Å; R91-S189 VanDerWaalsContact O-N 3.16Å
190	L	94.7	Very high	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.1	170.8	171.8	66.5	0	0	0	109.6	L21 N22 T23 W32 T75 A88 L90 L176 F178 L192	L21-L190 HydrophobicContact CD2-CD2 3.98Å; N22-L190 WeakPolarHBondContact CA-O 3.48Å; T23-L190 HydrophobicContact CG2-CB 3.98Å; T23-L190 PolarHBondContact N-O 3.03Å; T23-L190 PolarHBondContact OG1-N 3.34Å; W32-L190 HydrophobicContact CH2-CB 3.99Å; W32-L190 HydrophobicContact CH2-CD2 3.5Å; W32-L190 VanDerWaalsContact CH2-CD2 3.5Å; W32-L190 HydrophobicContact CH2-CG 4.39Å; W32-L190 HydrophobicContact CZ2-CD2 3.98Å; W32-L190 HydrophobicContact CZ3-CD2 4.41Å; T75-L190 HydrophobicContact CG2-CD2 3.83Å; A88-L190 HydrophobicContact CB-CD1 4.2Å; L90-L190 HydrophobicContact CD2-CD1 3.4Å; L176-L190 HydrophobicContact CD2-CD1 3.64Å; L176-L190 HydrophobicContact CD2-CD2 3.68Å; L176-L190 HydrophobicContact CD2-CG 4.34Å; F178-L190 HydrophobicContact CZ-CD1 4.49Å; F178-L190 HydrophobicContact CZ-CD2 4.39Å; L190-L192 HydrophobicContact CD1-CD2 3.76Å; L190-L192 HydrophobicContact CD1-CG 4.12Å; L190-L192 HydrophobicContact CD2-CD1 4.29Å; L190-L192 HydrophobicContact CD2-CD2 4.45Å; L190-L192 HydrophobicContact CD2-CG 4.17Å; L190-L192 HydrophobicContact CG-CD2 4.26Å; L190-L192 HydrophobicContact CG-CG 4.07Å
191	H	95.9	Very high	90.8	Very high	38 Å²	38	24 Å²	24	18%	0.176	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.4	170.6	-179.9	-149.9	0	0	0	109.8	T19 L21 A88 T89 F193	T19-H191 PolarHBondContact OG1-NE2 3.43Å; L21-H191 CarbonylContact O-C 3.56Å; L21-H191 WeakPolarHBondContact O-CA 3.45Å; A88-H191 WeakPolarHBondContact CA-O 3.47Å; T89-H191 PolarHBondContact N-O 3.14Å; T89-H191 PolarHBondContact O-N 3.09Å; H191-F193 AromaticContact CE1-CD1 3.77Å; H191-F193 AromaticContact ND1-CD1 3.81Å
192	L	95.9	Very high	90.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.3	173.5	-60.2	180	0	0	0	109.3	L20 L21 V78 V86 Y87 A88 F174 L176 L190	L20-L192 HydrophobicContact CB-CB 4.15Å; L20-L192 PolarHBondContact N-O 3.16Å; L21-L192 HydrophobicContact CB-CB 4.03Å; L21-L192 HydrophobicContact CB-CD1 3.97Å; L21-L192 HydrophobicContact CB-CG 4.17Å; L21-L192 HydrophobicContact CD2-CD1 3.96Å; L21-L192 PolarHBondContact N-O 3.47Å; L21-L192 PolarHBondContact O-N 3.03Å; V78-L192 HydrophobicContact CB-CD1 4.45Å; V78-L192 HydrophobicContact CG1-CD1 4.16Å; V78-L192 HydrophobicContact CG2-CD1 3.9Å; V86-L192 HydrophobicContact CG1-CB 4.21Å; V86-L192 HydrophobicContact CG1-CD2 4.31Å; Y87-L192 WeakPolarHBondContact O-CA 3.45Å; A88-L192 HydrophobicContact CB-CD2 3.43Å; A88-L192 VanDerWaalsContact CB-CD2 3.43Å; F174-L192 HydrophobicContact CE2-CD1 3.97Å; F174-L192 HydrophobicContact CZ-CD1 4.04Å; L176-L192 HydrophobicContact CD2-CD2 4.35Å; L190-L192 HydrophobicContact CD1-CD2 3.76Å; L190-L192 HydrophobicContact CD1-CG 4.12Å; L190-L192 HydrophobicContact CD2-CD1 4.29Å; L190-L192 HydrophobicContact CD2-CD2 4.45Å; L190-L192 HydrophobicContact CD2-CG 4.17Å; L190-L192 HydrophobicContact CG-CD2 4.26Å; L190-L192 HydrophobicContact CG-CG 4.07Å
193	F	94.7	Very high	90.8	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.035	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	164.7	178.6	66.8	-80.3	0	0	0	111.5	E17 E18 Y87 H191 K195	E17-F193 HydrophobicContact CB-CD2 3.84Å; E17-F193 HydrophobicContact CB-CE2 4.39Å; E17-F193 HydrophobicContact CG-CD2 3.78Å; E17-F193 HydrophobicContact CG-CE2 3.83Å; E17-F193 VanDerWaalsContact OE1-CE2 3.26Å; E17-F193 WeakPolarHBondContact OE1-CE2 3.42Å; E18-F193 CarbonylContact O-C 3.54Å; E18-F193 WeakPolarHBondContact O-CA 3.38Å; E18-F193 VanDerWaalsContact O-CB 3.28Å; E18-F193 WeakPolarHBondContact O-CB 3.47Å; Y87-F193 HydrophobicContact CD2-CE2 4.24Å; Y87-F193 HydrophobicContact CG-CE2 4.28Å; Y87-F193 HydrophobicContact CG-CZ 4.23Å; Y87-F193 PolarHBondContact N-O 3.48Å; Y87-F193 PolarHBondContact O-N 2.78Å; H191-F193 AromaticContact CE1-CD1 3.77Å; H191-F193 AromaticContact ND1-CD1 3.81Å; F193-K195 HydrophobicContact CE2-CG 4.25Å
194	Y	93.2	Very high	91	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.059	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.4	168.7	70.6	-86.6	0	0	0	110.2	E18 L20 R81 A83 H85 K196 V211	E18-Y194 HydrophobicContact CB-CD1 3.95Å; E18-Y194 HydrophobicContact CB-CD2 4.47Å; E18-Y194 HydrophobicContact CB-CE1 3.48Å; E18-Y194 VanDerWaalsContact CB-CE1 3.48Å; E18-Y194 HydrophobicContact CB-CE2 4.03Å; E18-Y194 HydrophobicContact CB-CG 4.44Å; E18-Y194 HydrophobicContact CG-CD1 4.36Å; E18-Y194 HydrophobicContact CG-CE1 3.51Å; E18-Y194 PolarHBondContact N-O 2.86Å; E18-Y194 PolarHBondContact O-N 2.74Å; L20-Y194 HydrophobicContact CD1-CD1 4.23Å; L20-Y194 HydrophobicContact CD2-CD1 3.82Å; L20-Y194 HydrophobicContact CD2-CE1 3.79Å; L20-Y194 HydrophobicContact CG-CD1 4Å; L20-Y194 HydrophobicContact CG-CE1 4.45Å; R81-Y194 HydrophobicContact CB-CE1 4.45Å; A83-Y194 HydrophobicContact CB-CD1 3.62Å; A83-Y194 HydrophobicContact CB-CD2 4.05Å; A83-Y194 HydrophobicContact CB-CE1 4.27Å; A83-Y194 HydrophobicContact CB-CG 3.47Å; A83-Y194 VanDerWaalsContact CB-CG 3.47Å; H85-Y194 WeakPolarHBondContact O-CB 3.41Å; Y194-K196 HydrophobicContact CE2-CB 4.36Å; Y194-V211 HydrophobicContact CD2-CG1 3.9Å; Y194-V211 HydrophobicContact CE2-CB 4.44Å; Y194-V211 HydrophobicContact CE2-CG1 3.86Å; Y194-V211 HydrophobicContact CE2-CG2 3.69Å
195	K	91.1	Very high	91	Very high	55 Å²	55	24.3 Å²	24.3	24%	0.239	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141	-177.7	-60.1	-172.5	178.8	-175.3	0	110.3	A15 E17 Y87 F193 P212 D242	A15-K195 HydrophobicContact CB-CD 4.39Å; E17-K195 HydrophobicContact CG-CG 4.43Å; Y87-K195 HydrophobicContact CD2-CG 4.22Å; Y87-K195 HydrophobicContact CE2-CD 4.12Å; Y87-K195 HydrophobicContact CE2-CG 3.97Å; F193-K195 HydrophobicContact CE2-CG 4.25Å; K195-P212 WeakPolarHBondContact O-CD 3.46Å; K195-D242 VanDerWaalsContact CD-O 3.29Å; K195-D242 WeakPolarHBondContact CD-O 3.42Å
196	K	90.6	Very high	91.1	Very high	22 Å²	22	29.7 Å²	29.7	10%	0.096	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.7	174.6	61.6	175.4	172	168.6	0	111.2	L16 E18 Y194 A198 E209 T210 V211 G243	L16-K196 HydrophobicContact CB-CG 4.11Å; L16-K196 HydrophobicContact CD2-CD 4.42Å; L16-K196 HydrophobicContact CD2-CG 4.39Å; L16-K196 HydrophobicContact CG-CG 4.36Å; L16-K196 PolarHBondContact N-O 2.04Å; L16-K196 VanDerWaalsContact N-O 3.16Å; L16-K196 PolarHBondContact O-N 2.95Å; E18-K196 WeakPolarHBondContact OE2-CE 3.48Å; E18-K196 IonicContact OE2-NZ 2.76Å; E18-K196 PolarHBondContact OE2-NZ 2.63Å; Y194-K196 HydrophobicContact CE2-CB 4.36Å; K196-A198 PolarHBondContact O-N 2.98Å; K196-E209 IonicContact NZ-OE2 3.91Å; K196-E209 PolarHBondContact NZ-OE2 3.21Å; K196-T210 WeakPolarHBondContact CA-O 3.4Å; K196-T210 WeakPolarHBondContact CB-O 3.49Å; K196-V211 HydrophobicContact CB-CG2 4.11Å; K196-G243 CarbonylContact C-O 3.41Å
197	C	90.9	Very high	91.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-75	123.2	172	-58.9	0	0	0	0	109.6	E209 T210 C239 G243 W245	C197-E209 WeakPolarHBondContact O-CA 3.4Å; C197-T210 PolarHBondContact N-O 3.02Å; C197-T210 PolarHBondContact O-N 2.76Å; C197-T210 VanDerWaalsContact O-N 3.08Å; C197-C239 HydrophobicContact CB-CB 3.88Å; C197-C239 WeakPolarHBondContact CB-SG 3.19Å; C197-C239 WeakPolarHBondContact SG-CA 3.45Å; C197-C239 WeakPolarHBondContact SG-CB 3.05Å; C197-C239 CovalentContact SG-SG 2.03Å; C197-C239 PolarHBondContact SG-SG 3Å; C197-G243 WeakPolarHBondContact CA-O 3.14Å; C197-G243 VanDerWaalsContact SG-C 3.53Å; C197-W245 HydrophobicContact CB-CD2 4.03Å; C197-W245 HydrophobicContact CB-CG 4.43Å; C197-W245 HydrophobicContact CB-CH2 4.4Å; C197-W245 HydrophobicContact CB-CZ2 3.79Å
198	A	90.5	Very high	91	Very high	23 Å²	23	32.3 Å²	32.3	19%	0.19	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-65.4	156.7	177.9	0	0	0	0	0	111.6	L16 K196 L200 W245	L16-A198 HydrophobicContact CB-CB 4.38Å; L16-A198 HydrophobicContact CD2-CB 4.5Å; K196-A198 PolarHBondContact O-N 2.98Å; A198-L200 PolarHBondContact O-N 3.38Å; A198-W245 PolarHBondContact O-NE1 3.41Å
199	Q	90.3	Very high	91	Very high	93 Å²	93	35 Å²	35	44%	0.435	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-59	124.4	174.1	-166	-169.1	-77.5	0	0	109.7	R206 F207 E209	Q199-R206 VanDerWaalsContact NE2-NE 3.16Å; Q199-F207 WeakPolarHBondContact CA-O 3.47Å; Q199-F207 WeakPolarHBondContact CG-O 3.3Å; Q199-E209 HydrophobicContact CB-CG 4.02Å
200	L	87.9	Confident	90.9	Very high	28 Å²	28	35.6 Å²	35.6	15%	0.147	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.1	-176.8	-179.7	63.3	0	0	0	110.2	A198 V202 F207 L237 W245	A198-L200 PolarHBondContact O-N 3.38Å; L200-V202 HydrophobicContact CD2-CG1 4.04Å; L200-V202 HydrophobicContact CG-CB 4.34Å; L200-V202 HydrophobicContact CG-CG1 4.18Å; L200-F207 PolarHBondContact N-O 3.14Å; L200-F207 VanDerWaalsContact N-O 3.12Å; L200-F207 PolarHBondContact O-N 3.36Å; L200-L237 HydrophobicContact CD2-CD1 3.83Å; L200-W245 HydrophobicContact CD2-CB 4.18Å; L200-W245 HydrophobicContact CD2-CD2 4.45Å; L200-W245 HydrophobicContact CD2-CG 3.82Å
201	T	88.2	Confident	90.7	Very high	43 Å²	43	37.7 Å²	37.7	26%	0.264	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.4	167.6	-55.6	0	0	0	0	108.3	T205 V224 T266	T201-T205 VanDerWaalsContact CA-O 3.3Å; T201-T205 WeakPolarHBondContact CA-O 3.46Å; T201-V224 HydrophobicContact CG2-CG1 3.72Å; T201-T266 WeakPolarHBondContact CG2-O 3.43Å
202	V	85.8	Confident	90.2	Very high	39 Å²	39	36.4 Å²	36.4	24%	0.236	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	141.2	-177.5	64.9	0	0	0	0	108.8	L200 L204 T205 F207 L237 V250	L200-V202 HydrophobicContact CD2-CG1 4.04Å; L200-V202 HydrophobicContact CG-CB 4.34Å; L200-V202 HydrophobicContact CG-CG1 4.18Å; V202-L204 VanDerWaalsContact C-N 3.28Å; V202-L204 PolarHBondContact O-N 2.97Å; V202-T205 PolarHBondContact N-O 3.15Å; V202-T205 WeakPolarHBondContact O-CB 3.46Å; V202-T205 PolarHBondContact O-N 3.39Å; V202-F207 HydrophobicContact CG1-CD2 4.39Å; V202-F207 HydrophobicContact CG1-CE2 4Å; V202-L237 HydrophobicContact CG1-CD1 4.09Å; V202-V250 HydrophobicContact CG1-CB 4.37Å; V202-V250 HydrophobicContact CG1-CG2 3.93Å
203	N	85.4	Confident	89.5	Confident	62 Å²	62	45.1 Å²	45.1	33%	0.332	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	50.4	-179.9	-62.6	-15.8	0	0	0	113	T205 V250 N265	N203-T205 PolarHBondContact O-N 2.98Å; N203-T205 PolarHBondContact O-OG1 2.98Å; N203-V250 HydrophobicContact CB-CB 4.4Å; N203-V250 WeakPolarHBondContact CB-O 3.12Å; N203-V250 PolarHBondContact ND2-O 3.46Å; N203-N265 PolarHBondContact N-O 3.17Å
204	L	89.5	Confident	88.6	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.058	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	19.7	178.2	-53.8	172.3	0	0	0	114.2	V202 V224 A227 C253 C255 A261 N265 K267	V202-L204 VanDerWaalsContact C-N 3.28Å; V202-L204 PolarHBondContact O-N 2.97Å; L204-V224 HydrophobicContact CB-CG2 3.97Å; L204-V224 HydrophobicContact CD2-CG2 4.08Å; L204-V224 WeakPolarHBondContact O-CG2 3.47Å; L204-V224 PolarHBondContact O-N 3.43Å; L204-A227 HydrophobicContact CB-CB 4.33Å; L204-C253 HydrophobicContact CB-CB 4.04Å; L204-C253 WeakPolarHBondContact O-CB 3.38Å; L204-C255 HydrophobicContact CD1-CB 4.49Å; L204-C255 WeakPolarHBondContact CD1-SG 3.37Å; L204-A261 HydrophobicContact CD1-CB 4.43Å; L204-A261 HydrophobicContact CD2-CB 4.46Å; L204-N265 WeakPolarHBondContact CD2-O 3.3Å; L204-N265 PolarHBondContact N-O 2.86Å; L204-K267 WeakPolarHBondContact CD2-O 3.1Å
205	T	89.7	Confident	87.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.5	178.4	-49.8	0	0	0	0	109.8	T201 V202 N203 F207 S222 P235 C253	T201-T205 VanDerWaalsContact CA-O 3.3Å; T201-T205 WeakPolarHBondContact CA-O 3.46Å; V202-T205 PolarHBondContact N-O 3.15Å; V202-T205 WeakPolarHBondContact O-CB 3.46Å; V202-T205 PolarHBondContact O-N 3.39Å; N203-T205 PolarHBondContact O-N 2.98Å; N203-T205 PolarHBondContact O-OG1 2.98Å; T205-F207 HydrophobicContact CG2-CD2 4.29Å; T205-F207 HydrophobicContact CG2-CE1 4.22Å; T205-F207 HydrophobicContact CG2-CE2 3.59Å; T205-F207 HydrophobicContact CG2-CZ 3.56Å; T205-S222 CarbonylContact C-O 3.46Å; T205-S222 WeakPolarHBondContact CA-O 3.24Å; T205-P235 HydrophobicContact CG2-CB 3.64Å; T205-P235 HydrophobicContact CG2-CG 3.56Å; T205-C253 PolarHBondContact OG1-SG 2.88Å; T205-C253 VanDerWaalsContact OG1-SG 3.4Å
206	R	90.8	Very high	87.3	Confident	122 Å²	122	52.3 Å²	52.3	46%	0.46	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.4	174.8	-175	-179.5	-176.4	-169.3	-1.6	110.7	Q199 G221 S222 V224	Q199-R206 VanDerWaalsContact NE2-NE 3.16Å; R206-G221 WeakPolarHBondContact O-CA 3.24Å; R206-S222 PolarHBondContact N-O 2.98Å; R206-S222 PolarHBondContact O-N 3.47Å; R206-S222 PolarHBondContact O-OG 2.71Å; R206-V224 HydrophobicContact CB-CG1 4.47Å
207	F	90.9	Very high	87	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.7	174	-61.9	-85.9	0	0	0	110	Q199 L200 V202 T205 L237 W245 V250	Q199-F207 WeakPolarHBondContact CA-O 3.47Å; Q199-F207 WeakPolarHBondContact CG-O 3.3Å; L200-F207 PolarHBondContact N-O 3.14Å; L200-F207 VanDerWaalsContact N-O 3.12Å; L200-F207 PolarHBondContact O-N 3.36Å; V202-F207 HydrophobicContact CG1-CD2 4.39Å; V202-F207 HydrophobicContact CG1-CE2 4Å; T205-F207 HydrophobicContact CG2-CD2 4.29Å; T205-F207 HydrophobicContact CG2-CE1 4.22Å; T205-F207 HydrophobicContact CG2-CE2 3.59Å; T205-F207 HydrophobicContact CG2-CZ 3.56Å; F207-L237 HydrophobicContact CD1-CB 3.88Å; F207-L237 HydrophobicContact CD1-CD1 4.26Å; F207-L237 HydrophobicContact CD1-CG 4.3Å; F207-L237 HydrophobicContact CD2-CD1 3.56Å; F207-L237 HydrophobicContact CD2-CG 4.28Å; F207-L237 HydrophobicContact CE1-CB 3.62Å; F207-L237 HydrophobicContact CE1-CD1 4.13Å; F207-L237 HydrophobicContact CE1-CG 3.8Å; F207-L237 HydrophobicContact CE2-CB 4.4Å; F207-L237 HydrophobicContact CE2-CD1 3.39Å; F207-L237 HydrophobicContact CE2-CG 3.77Å; F207-L237 HydrophobicContact CG-CB 4.38Å; F207-L237 HydrophobicContact CG-CD1 3.99Å; F207-L237 HydrophobicContact CZ-CB 3.9Å; F207-L237 HydrophobicContact CZ-CD1 3.7Å; F207-L237 HydrophobicContact CZ-CG 3.5Å; F207-W245 HydrophobicContact CB-CH2 3.86Å; F207-W245 HydrophobicContact CB-CZ2 3.78Å; F207-W245 HydrophobicContact CG-CH2 4.48Å; F207-V250 HydrophobicContact CE2-CG1 3.95Å; F207-V250 HydrophobicContact CE2-CG2 4.27Å; F207-V250 HydrophobicContact CZ-CG1 3.68Å; F207-V250 HydrophobicContact CZ-CG2 4.25Å
208	P	91.6	Very high	86.8	Confident	64 Å²	64	56.5 Å²	56.5	42%	0.416	29%	0.288	S	S	.	.			trans	-73.3	162.6	180	31.8	-35.8	0	0	0	112.3	T210 V219	P208-T210 PolarHBondContact O-N 3.3Å; P208-T210 PolarHBondContact O-OG1 2.84Å; P208-T210 VanDerWaalsContact O-OG1 3.12Å; P208-V219 HydrophobicContact CG-CG1 4.08Å
209	E	91.4	Very high	86.6	Confident	103 Å²	103	56 Å²	56	48%	0.481	28%	0.283	S	S	.	.			trans	-56.8	131.8	167.4	-68.5	-171.7	-169.8	0	0	110.3	K196 C197 Q199	K196-E209 IonicContact NZ-OE2 3.91Å; K196-E209 PolarHBondContact NZ-OE2 3.21Å; C197-E209 WeakPolarHBondContact O-CA 3.4Å; Q199-E209 HydrophobicContact CB-CG 4.02Å
210	T	90.4	Very high	86.6	Confident	22 Å²	22	55.4 Å²	55.4	14%	0.135	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-135.7	129.2	-174.3	-56.8	0	0	0	0	111.2	K196 C197 P208 V217 V219 C239	K196-T210 WeakPolarHBondContact CA-O 3.4Å; K196-T210 WeakPolarHBondContact CB-O 3.49Å; C197-T210 PolarHBondContact N-O 3.02Å; C197-T210 PolarHBondContact O-N 2.76Å; C197-T210 VanDerWaalsContact O-N 3.08Å; P208-T210 PolarHBondContact O-N 3.3Å; P208-T210 PolarHBondContact O-OG1 2.84Å; P208-T210 VanDerWaalsContact O-OG1 3.12Å; T210-V217 HydrophobicContact CG2-CG1 4.49Å; T210-V219 HydrophobicContact CG2-CG2 3.72Å; T210-C239 HydrophobicContact CG2-CB 4.17Å; T210-C239 PolarHBondContact O-SG 3.08Å
211	V	90.4	Very high	86.6	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.261	30%	0.295	S	S	.	.			trans	-91.7	118.2	171.3	-173.5	0	0	0	0	108.6	Y194 K196 R213	Y194-V211 HydrophobicContact CD2-CG1 3.9Å; Y194-V211 HydrophobicContact CE2-CB 4.44Å; Y194-V211 HydrophobicContact CE2-CG1 3.86Å; Y194-V211 HydrophobicContact CE2-CG2 3.69Å; K196-V211 HydrophobicContact CB-CG2 4.11Å; V211-R213 PolarHBondContact O-N 3.49Å
212	P	85.9	Confident	86.6	Confident	11 Å²	11	56 Å²	56	7%	0.071	30%	0.304	C	S	.	.			trans	-67.6	123.9	-179.8	28.4	-33.6	0	0	0	109.9	K195 V217 R240	K195-P212 WeakPolarHBondContact O-CD 3.46Å; P212-V217 HydrophobicContact CB-CG2 4.31Å; P212-R240 WeakPolarHBondContact CG-O 3.04Å
213	R	79.9	Confident	86.9	Confident	183 Å²	183	56 Å²	56	69%	0.691	31%	0.305	S	S	*	.	S	Bend	trans	-94.8	-18.4	174.4	-62.4	-172.6	176.6	-144.6	0.5	113	V84 V211	V84-R213 HydrophobicContact CG2-CB 3.92Å; V84-R213 HydrophobicContact CG2-CG 3.83Å; V211-R213 PolarHBondContact O-N 3.49Å
214	E	76.8	Confident	87.2	Confident	134 Å²	134	54.1 Å²	54.1	63%	0.626	30%	0.296	S	S	*	.	S	Bend	trans	-131.8	172.8	-179.2	-63.2	175.7	-171.1	0	0	107.4	V216 V217	E214-V216 PolarHBondContact O-N 2.89Å; E214-V216 VanDerWaalsContact O-N 3.14Å; E214-V217 HydrophobicContact CB-CG2 4.29Å
215	L	75.9	Confident	87.3	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.225	33%	0.328	C	S	.	.	S	Bend	trans	-53.8	-35.5	178.7	-68.1	174.8	0	0	0	112.7	R240 E241 E628	L215-R240 CarbonylContact O-C 3.54Å; L215-R240 WeakPolarHBondContact O-CA 3.43Å; L215-E241 HydrophobicContact CD2-CG 3.98Å; L215-E241 WeakPolarHBondContact CD2-OE2 3.46Å; L215-E241 PolarHBondContact O-N 2.96Å; L215-E628 WeakPolarHBondContact CD2-OE2 3.42Å
216	V	80.4	Confident	87.4	Confident	52 Å²	52	62.8 Å²	62.8	32%	0.315	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	120.1	179.6	-174.2	0	0	0	0	108.3	E214 Y238 C239	E214-V216 PolarHBondContact O-N 2.89Å; E214-V216 VanDerWaalsContact O-N 3.14Å; V216-Y238 HydrophobicContact CG1-CD1 3.66Å; V216-Y238 HydrophobicContact CG1-CG 3.92Å; V216-C239 CarbonylContact C-O 3.43Å; V216-C239 WeakPolarHBondContact CA-O 3.48Å
217	V	83.5	Confident	87.5	Confident	29 Å²	29	57.7 Å²	57.7	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.4	179.1	178.7	0	0	0	0	109.9	T210 P212 E214 V219 Y238 C239	T210-V217 HydrophobicContact CG2-CG1 4.49Å; P212-V217 HydrophobicContact CB-CG2 4.31Å; E214-V217 HydrophobicContact CB-CG2 4.29Å; V217-V219 HydrophobicContact CG1-CG2 4.44Å; V217-V219 PolarHBondContact O-N 3.35Å; V217-Y238 CarbonylContact O-C 3.56Å; V217-Y238 WeakPolarHBondContact O-CA 3.21Å; V217-C239 PolarHBondContact N-O 3.23Å; V217-C239 PolarHBondContact O-N 3.44Å
218	P	87.1	Confident	87.5	Confident	82 Å²	82	60.2 Å²	60.2	53%	0.532	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.2	170.6	28.2	-32.1	0	0	0	110.4	Y238	P218-Y238 HydrophobicContact CB-CD1 3.96Å; P218-Y238 HydrophobicContact CB-CE1 3.73Å
219	V	87.7	Confident	87.2	Confident	13 Å²	13	61.9 Å²	61.9	8%	0.079	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.7	179.4	-171	0	0	0	0	109	P208 T210 V217 S236 L237 C239 W245	P208-V219 HydrophobicContact CG-CG1 4.08Å; T210-V219 HydrophobicContact CG2-CG2 3.72Å; V217-V219 HydrophobicContact CG1-CG2 4.44Å; V217-V219 PolarHBondContact O-N 3.35Å; V219-S236 VanDerWaalsContact O-CA 3.3Å; V219-S236 WeakPolarHBondContact O-CA 3.33Å; V219-L237 PolarHBondContact N-O 2.96Å; V219-L237 PolarHBondContact O-N 3.45Å; V219-C239 HydrophobicContact CG2-CB 4.06Å; V219-W245 HydrophobicContact CB-CH2 3.73Å; V219-W245 HydrophobicContact CB-CZ3 3.73Å; V219-W245 HydrophobicContact CG1-CH2 3.92Å; V219-W245 HydrophobicContact CG1-CZ3 4.42Å; V219-W245 HydrophobicContact CG2-CH2 3.67Å; V219-W245 HydrophobicContact CG2-CZ3 3.63Å
220	A	88.5	Confident	86.6	Confident	79 Å²	79	58.5 Å²	58.5	65%	0.653	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.7	174	0	0	0	0	0	110.1
221	G	87.9	Confident	85.7	Confident	17 Å²	17	64.2 Å²	64.2	18%	0.175	38%	0.384	C	S	.	.			trans	-89.1	156.9	173.7	0	0	0	0	0	111.9	R206 P235	R206-G221 WeakPolarHBondContact O-CA 3.24Å; G221-P235 WeakPolarHBondContact CA-O 3.47Å; G221-P235 PolarHBondContact N-O 3.43Å
222	S	90.1	Very high	84.8	Confident	66 Å²	66	65 Å²	65	46%	0.462	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.4	174.5	54.8	0	0	0	0	110	T205 R206	T205-S222 CarbonylContact C-O 3.46Å; T205-S222 WeakPolarHBondContact CA-O 3.24Å; R206-S222 PolarHBondContact N-O 2.98Å; R206-S222 PolarHBondContact O-N 3.47Å; R206-S222 PolarHBondContact O-OG 2.71Å
223	C	90.6	Very high	83.9	Confident	39 Å²	39	69.5 Å²	69.5	26%	0.264	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.7	176.3	-62.9	0	0	0	0	110.8	A227 C253	C223-A227 HydrophobicContact CB-CB 4.05Å; C223-C253 WeakPolarHBondContact CA-SG 3.41Å; C223-C253 HydrophobicContact CB-CB 3.82Å; C223-C253 WeakPolarHBondContact CB-SG 3.44Å; C223-C253 WeakPolarHBondContact SG-CB 3.42Å; C223-C253 CovalentContact SG-SG 2.04Å; C223-C253 PolarHBondContact SG-SG 3.39Å
224	V	91.9	Very high	83.5	Confident	24 Å²	24	65.6 Å²	65.6	15%	0.145	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-64.2	164.4	171.9	-60.3	0	0	0	0	110.6	T201 L204 R206 D226 A227	T201-V224 HydrophobicContact CG2-CG1 3.72Å; L204-V224 HydrophobicContact CB-CG2 3.97Å; L204-V224 HydrophobicContact CD2-CG2 4.08Å; L204-V224 WeakPolarHBondContact O-CG2 3.47Å; L204-V224 PolarHBondContact O-N 3.43Å; R206-V224 HydrophobicContact CB-CG1 4.47Å; V224-D226 PolarHBondContact O-N 2.92Å; V224-A227 HydrophobicContact CG2-CB 3.81Å; V224-A227 WeakPolarHBondContact O-CB 3.42Å; V224-A227 PolarHBondContact O-N 3.31Å
225	V	91.8	Very high	83.7	Confident	118 Å²	118	59.7 Å²	59.7	72%	0.715	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	139.3	178.3	-173.4	0	0	0	0	110.1	A227	V225-A227 PolarHBondContact O-N 3.04Å; V225-A227 VanDerWaalsContact O-N 3.17Å
226	D	93	Very high	84	Confident	75 Å²	75	60 Å²	60	40%	0.401	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	12.9	-176.5	-50.2	-50.1	0	0	0	115.5	V224 A256 F259 C268	V224-D226 PolarHBondContact O-N 2.92Å; D226-A256 VanDerWaalsContact O-CB 3.26Å; D226-A256 WeakPolarHBondContact O-CB 3.33Å; D226-A256 PolarHBondContact O-N 2.97Å; D226-F259 HydrophobicContact CB-CD1 3.53Å; D226-F259 HydrophobicContact CB-CD2 4.17Å; D226-F259 HydrophobicContact CB-CE1 3.57Å; D226-F259 HydrophobicContact CB-CE2 4.22Å; D226-F259 HydrophobicContact CB-CG 3.85Å; D226-F259 HydrophobicContact CB-CZ 3.93Å; D226-F259 WeakPolarHBondContact OD2-CE1 3.47Å; D226-C268 HydrophobicContact CB-CB 4.1Å
227	A	91.6	Very high	84.4	Confident	15 Å²	15	57.7 Å²	57.7	12%	0.124	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.9	165.2	0	0	0	0	0	111.3	L204 C223 V224 V225 C253 S254	L204-A227 HydrophobicContact CB-CB 4.33Å; C223-A227 HydrophobicContact CB-CB 4.05Å; V224-A227 HydrophobicContact CG2-CB 3.81Å; V224-A227 WeakPolarHBondContact O-CB 3.42Å; V224-A227 PolarHBondContact O-N 3.31Å; V225-A227 PolarHBondContact O-N 3.04Å; V225-A227 VanDerWaalsContact O-N 3.17Å; A227-C253 HydrophobicContact CB-CB 4.36Å; A227-S254 CarbonylContact C-O 3.57Å; A227-S254 WeakPolarHBondContact CA-O 3.28Å
228	V	90.5	Very high	84.5	Confident	52 Å²	52	60 Å²	60	32%	0.315	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.3	176.4	-66.3	0	0	0	0	110.3	A230 C253 S254 A256	V228-A230 PolarHBondContact O-N 3.46Å; V228-C253 WeakPolarHBondContact O-CA 3.16Å; V228-S254 PolarHBondContact N-O 3.04Å; V228-S254 PolarHBondContact O-N 3.07Å; V228-A256 HydrophobicContact CG1-CB 4.12Å
229	P	86.9	Confident	84.5	Confident	99 Å²	99	56.1 Å²	56.1	64%	0.643	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	131	175.6	-24	33.8	0	0	0	111.3	G252	P229-G252 CarbonylContact C-O 3.6Å; P229-G252 WeakPolarHBondContact CA-O 3.33Å
230	A	78.3	Confident	84.4	Confident	32 Å²	32	59.2 Å²	59.2	26%	0.264	39%	0.386	S	S	.	.			trans	-71.5	154.9	172.9	0	0	0	0	0	110.2	V228 G232 G252	V228-A230 PolarHBondContact O-N 3.46Å; A230-G232 PolarHBondContact O-N 2.93Å; A230-G252 PolarHBondContact N-O 3.45Å
231	P	71.3	Confident	84.1	Confident	143 Å²	143	58.1 Å²	58.1	93%	0.929	37%	0.368	S	S	*	.	S	Bend	trans	-62.6	110.4	175.3	-14.9	27.9	0	0	0	110
232	G	70.6	Confident	83.8	Confident	58 Å²	58	59.6 Å²	59.6	60%	0.598	37%	0.372	S	S	*	.	S	Bend	trans	155.3	-169	-175.3	0	0	0	0	0	113.6	A230	A230-G232 PolarHBondContact O-N 2.93Å
233	P	67.9	Low	83.6	Confident	107 Å²	107	56.6 Å²	56.6	70%	0.695	35%	0.351	S	S	*	.	S	Bend	trans	-62.6	147.9	172.5	27.3	-32.5	0	0	0	110.6
234	S	71.8	Confident	83.4	Confident	100 Å²	100	58.3 Å²	58.3	70%	0.699	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-58.7	140.8	174	-60	0	0	0	0	109.9	S236	S234-S236 PolarHBondContact O-N 3.38Å; S234-S236 VanDerWaalsContact O-N 3.15Å
235	P	79.8	Confident	83.1	Confident	10 Å²	10	58.2 Å²	58.2	7%	0.065	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-63.8	122.7	-176.9	26.3	-33.1	0	0	0	109.4	T205 G221 V250	T205-P235 HydrophobicContact CG2-CB 3.64Å; T205-P235 HydrophobicContact CG2-CG 3.56Å; G221-P235 WeakPolarHBondContact CA-O 3.47Å; G221-P235 PolarHBondContact N-O 3.43Å; P235-V250 HydrophobicContact CB-CG1 3.85Å
236	S	83.9	Confident	82.6	Confident	49 Å²	49	53.6 Å²	53.6	34%	0.343	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.6	176.1	59.2	0	0	0	0	109.8	V219 S234	V219-S236 VanDerWaalsContact O-CA 3.3Å; V219-S236 WeakPolarHBondContact O-CA 3.33Å; S234-S236 PolarHBondContact O-N 3.38Å; S234-S236 VanDerWaalsContact O-N 3.15Å
237	L	86.9	Confident	81.4	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	161.3	169.4	-86.6	-179	0	0	0	109.7	L200 V202 F207 V219 W245 V250	L200-L237 HydrophobicContact CD2-CD1 3.83Å; V202-L237 HydrophobicContact CG1-CD1 4.09Å; F207-L237 HydrophobicContact CD1-CB 3.88Å; F207-L237 HydrophobicContact CD1-CD1 4.26Å; F207-L237 HydrophobicContact CD1-CG 4.3Å; F207-L237 HydrophobicContact CD2-CD1 3.56Å; F207-L237 HydrophobicContact CD2-CG 4.28Å; F207-L237 HydrophobicContact CE1-CB 3.62Å; F207-L237 HydrophobicContact CE1-CD1 4.13Å; F207-L237 HydrophobicContact CE1-CG 3.8Å; F207-L237 HydrophobicContact CE2-CB 4.4Å; F207-L237 HydrophobicContact CE2-CD1 3.39Å; F207-L237 HydrophobicContact CE2-CG 3.77Å; F207-L237 HydrophobicContact CG-CB 4.38Å; F207-L237 HydrophobicContact CG-CD1 3.99Å; F207-L237 HydrophobicContact CZ-CB 3.9Å; F207-L237 HydrophobicContact CZ-CD1 3.7Å; F207-L237 HydrophobicContact CZ-CG 3.5Å; V219-L237 PolarHBondContact N-O 2.96Å; V219-L237 PolarHBondContact O-N 3.45Å; L237-W245 HydrophobicContact CB-CE3 3.59Å; L237-W245 HydrophobicContact CB-CZ3 3.73Å; L237-W245 HydrophobicContact CD1-CD2 4.35Å; L237-W245 HydrophobicContact CD1-CE3 4.19Å; L237-V250 HydrophobicContact CD1-CG2 3.77Å; L237-V250 HydrophobicContact CD2-CG2 3.28Å; L237-V250 HydrophobicContact CG-CG2 3.4Å; L237-V250 VanDerWaalsContact CG-CG2 3.4Å
238	Y	86.8	Confident	80	Confident	78 Å²	78	62.2 Å²	62.2	31%	0.306	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.1	-179.5	-66.1	-85.1	0	0	0	110.2	V216 V217 P218 W245 A246 Q248	V216-Y238 HydrophobicContact CG1-CD1 3.66Å; V216-Y238 HydrophobicContact CG1-CG 3.92Å; V217-Y238 CarbonylContact O-C 3.56Å; V217-Y238 WeakPolarHBondContact O-CA 3.21Å; P218-Y238 HydrophobicContact CB-CD1 3.96Å; P218-Y238 HydrophobicContact CB-CE1 3.73Å; Y238-W245 WeakPolarHBondContact O-CA 3.22Å; Y238-A246 PolarHBondContact O-N 2.79Å; Y238-Q248 VanDerWaalsContact CE2-OE1 3.28Å
239	C	87.6	Confident	78.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.9	172.2	176.9	0	0	0	0	109.1	C197 T210 V216 V217 V219 W245	C197-C239 HydrophobicContact CB-CB 3.88Å; C197-C239 WeakPolarHBondContact CB-SG 3.19Å; C197-C239 WeakPolarHBondContact SG-CA 3.45Å; C197-C239 WeakPolarHBondContact SG-CB 3.05Å; C197-C239 CovalentContact SG-SG 2.03Å; C197-C239 PolarHBondContact SG-SG 3Å; T210-C239 HydrophobicContact CG2-CB 4.17Å; T210-C239 PolarHBondContact O-SG 3.08Å; V216-C239 CarbonylContact C-O 3.43Å; V216-C239 WeakPolarHBondContact CA-O 3.48Å; V217-C239 PolarHBondContact N-O 3.23Å; V217-C239 PolarHBondContact O-N 3.44Å; V219-C239 HydrophobicContact CG2-CB 4.06Å; C239-W245 HydrophobicContact CB-CE3 4.14Å; C239-W245 HydrophobicContact CB-CH2 4.28Å; C239-W245 HydrophobicContact CB-CZ3 3.86Å
240	R	84.9	Confident	77.1	Confident	77 Å²	77	61 Å²	61	29%	0.291	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	161.1	-179.2	-60.3	-169.3	-51.7	-138	6.5	111.4	P212 L215 D242 G243 Q244 A246	P212-R240 WeakPolarHBondContact CG-O 3.04Å; L215-R240 CarbonylContact O-C 3.54Å; L215-R240 WeakPolarHBondContact O-CA 3.43Å; R240-D242 WeakPolarHBondContact CB-OD1 3.28Å; R240-D242 IonicContact CZ-OD1 3.64Å; R240-D242 IonicContact CZ-OD2 2.95Å; R240-D242 IonicContact NE-OD1 2.85Å; R240-D242 PolarHBondContact NE-OD1 3.36Å; R240-D242 IonicContact NE-OD2 3.46Å; R240-D242 PolarHBondContact NE-OD2 2.75Å; R240-D242 IonicContact NH2-OD1 3.51Å; R240-D242 IonicContact NH2-OD2 2.79Å; R240-D242 PolarHBondContact NH2-OD2 3.48Å; R240-D242 PolarHBondContact O-N 3.12Å; R240-G243 PolarHBondContact O-N 2.96Å; R240-Q244 WeakPolarHBondContact CB-O 3.23Å; R240-Q244 PolarHBondContact N-O 3.04Å; R240-A246 HydrophobicContact CG-CB 4.29Å
241	E	82.9	Confident	76.3	Confident	57 Å²	57	64.7 Å²	64.7	27%	0.266	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.3	177.7	60.2	155.7	-171.7	0	0	114.3	R165 L215 G243	R165-E241 IonicContact CZ-OE2 3.41Å; R165-E241 IonicContact NH2-OE2 3.93Å; R165-E241 PolarHBondContact NH2-OE2 3.48Å; L215-E241 HydrophobicContact CD2-CG 3.98Å; L215-E241 WeakPolarHBondContact CD2-OE2 3.46Å; L215-E241 PolarHBondContact O-N 2.96Å; E241-G243 PolarHBondContact O-N 2.78Å
242	D	81.3	Confident	76.4	Confident	48 Å²	48	58 Å²	58	26%	0.257	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.4	174.5	68.9	-10.1	0	0	0	112.8	A15 K195 R240 Q244	A15-D242 WeakPolarHBondContact CB-O 3.29Å; K195-D242 VanDerWaalsContact CD-O 3.29Å; K195-D242 WeakPolarHBondContact CD-O 3.42Å; R240-D242 WeakPolarHBondContact CB-OD1 3.28Å; R240-D242 IonicContact CZ-OD1 3.64Å; R240-D242 IonicContact CZ-OD2 2.95Å; R240-D242 IonicContact NE-OD1 2.85Å; R240-D242 PolarHBondContact NE-OD1 3.36Å; R240-D242 IonicContact NE-OD2 3.46Å; R240-D242 PolarHBondContact NE-OD2 2.75Å; R240-D242 IonicContact NH2-OD1 3.51Å; R240-D242 IonicContact NH2-OD2 2.79Å; R240-D242 PolarHBondContact NH2-OD2 3.48Å; R240-D242 PolarHBondContact O-N 3.12Å; D242-Q244 VanDerWaalsContact C-N 3.35Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.36Å; D242-Q244 PolarHBondContact OD1-N 2.79Å
243	G	84.8	Confident	77.2	Confident	2 Å²	2	56 Å²	56	2%	0.021	31%	0.307	C	S	.	.	S	Bend	trans	80.1	13.6	-178.8	0	0	0	0	0	113.8	K196 C197 R240 E241	K196-G243 CarbonylContact C-O 3.41Å; C197-G243 WeakPolarHBondContact CA-O 3.14Å; C197-G243 VanDerWaalsContact SG-C 3.53Å; R240-G243 PolarHBondContact O-N 2.96Å; E241-G243 PolarHBondContact O-N 2.78Å
244	Q	87.3	Confident	78.3	Confident	76 Å²	76	51.6 Å²	51.6	36%	0.355	28%	0.279	S	S	.	.			trans	-105.9	149.4	177.2	-59.8	-175.2	2.2	0	0	111.7	A15 R240 D242	A15-Q244 HydrophobicContact CB-CG 4.22Å; R240-Q244 WeakPolarHBondContact CB-O 3.23Å; R240-Q244 PolarHBondContact N-O 3.04Å; D242-Q244 VanDerWaalsContact C-N 3.35Å; D242-Q244 WeakPolarHBondContact OD1-CB 3.36Å; D242-Q244 PolarHBondContact OD1-N 2.79Å
245	W	86.2	Confident	79.3	Confident	22 Å²	22	47 Å²	47	8%	0.083	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-75.2	133.9	170.3	-69.4	106.6	0	0	0	110.1	C197 A198 L200 F207 V219 L237 Y238 C239	C197-W245 HydrophobicContact CB-CD2 4.03Å; C197-W245 HydrophobicContact CB-CG 4.43Å; C197-W245 HydrophobicContact CB-CH2 4.4Å; C197-W245 HydrophobicContact CB-CZ2 3.79Å; A198-W245 PolarHBondContact O-NE1 3.41Å; L200-W245 HydrophobicContact CD2-CB 4.18Å; L200-W245 HydrophobicContact CD2-CD2 4.45Å; L200-W245 HydrophobicContact CD2-CG 3.82Å; F207-W245 HydrophobicContact CB-CH2 3.86Å; F207-W245 HydrophobicContact CB-CZ2 3.78Å; F207-W245 HydrophobicContact CG-CH2 4.48Å; V219-W245 HydrophobicContact CB-CH2 3.73Å; V219-W245 HydrophobicContact CB-CZ3 3.73Å; V219-W245 HydrophobicContact CG1-CH2 3.92Å; V219-W245 HydrophobicContact CG1-CZ3 4.42Å; V219-W245 HydrophobicContact CG2-CH2 3.67Å; V219-W245 HydrophobicContact CG2-CZ3 3.63Å; L237-W245 HydrophobicContact CB-CE3 3.59Å; L237-W245 HydrophobicContact CB-CZ3 3.73Å; L237-W245 HydrophobicContact CD1-CD2 4.35Å; L237-W245 HydrophobicContact CD1-CE3 4.19Å; Y238-W245 WeakPolarHBondContact O-CA 3.22Å; C239-W245 HydrophobicContact CB-CE3 4.14Å; C239-W245 HydrophobicContact CB-CH2 4.28Å; C239-W245 HydrophobicContact CB-CZ3 3.86Å
246	A	81.2	Confident	79.9	Confident	20 Å²	20	47.5 Å²	47.5	17%	0.165	25%	0.252	C	S	.	.			trans	-68.4	137.2	174.9	0	0	0	0	0	110.9	Y238 R240 Q248	Y238-A246 PolarHBondContact O-N 2.79Å; R240-A246 HydrophobicContact CG-CB 4.29Å; A246-Q248 PolarHBondContact O-N 2.95Å
247	E	66	Low	80.3	Confident	177 Å²	177	46.8 Å²	46.8	83%	0.827	25%	0.249	S	C	*	.			trans	-71.2	99.3	176.7	-65.3	-177.5	-179.6	0	0	109.9
248	Q	62.6	Low	80.6	Confident	95 Å²	95	46.5 Å²	46.5	44%	0.444	25%	0.248	S	C	.	.			trans	-134.7	147.4	168.7	-72	-168.1	-4.7	0	0	109.8	Y238 A246 V250	Y238-Q248 VanDerWaalsContact CE2-OE1 3.28Å; A246-Q248 PolarHBondContact O-N 2.95Å; Q248-V250 PolarHBondContact O-N 2.98Å
249	P	58.5	Low	81	Confident	117 Å²	117	44.7 Å²	44.7	76%	0.76	24%	0.242	S	C	*	.			trans	-65.2	105.7	172.8	26.2	-31.4	0	0	0	109.3	T251	P249-T251 PolarHBondContact O-N 2.99Å; P249-T251 VanDerWaalsContact O-N 3.13Å
250	V	59.2	Low	81.2	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.042	25%	0.248	C	C	.	.			trans	-76.8	99.8	172.6	-172.3	0	0	0	0	107.8	V202 N203 F207 P235 L237 Q248	V202-V250 HydrophobicContact CG1-CB 4.37Å; V202-V250 HydrophobicContact CG1-CG2 3.93Å; N203-V250 HydrophobicContact CB-CB 4.4Å; N203-V250 WeakPolarHBondContact CB-O 3.12Å; N203-V250 PolarHBondContact ND2-O 3.46Å; F207-V250 HydrophobicContact CE2-CG1 3.95Å; F207-V250 HydrophobicContact CE2-CG2 4.27Å; F207-V250 HydrophobicContact CZ-CG1 3.68Å; F207-V250 HydrophobicContact CZ-CG2 4.25Å; P235-V250 HydrophobicContact CB-CG1 3.85Å; L237-V250 HydrophobicContact CD1-CG2 3.77Å; L237-V250 HydrophobicContact CD2-CG2 3.28Å; L237-V250 HydrophobicContact CG-CG2 3.4Å; L237-V250 VanDerWaalsContact CG-CG2 3.4Å; Q248-V250 PolarHBondContact O-N 2.98Å
251	T	61.4	Low	81.5	Confident	111 Å²	111	44.3 Å²	44.3	68%	0.681	25%	0.25	S	C	*	.			trans	-113.1	114.1	167.1	52.1	0	0	0	0	107.9	P249	P249-T251 PolarHBondContact O-N 2.99Å; P249-T251 VanDerWaalsContact O-N 3.13Å
252	G	72.9	Confident	81.7	Confident	3 Å²	3	42.4 Å²	42.4	3%	0.031	24%	0.244	C	C	.	.			trans	-170.9	-10.1	177	0	0	0	0	0	115.7	P229 A230	P229-G252 CarbonylContact C-O 3.6Å; P229-G252 WeakPolarHBondContact CA-O 3.33Å; A230-G252 PolarHBondContact N-O 3.45Å
253	C	87.9	Confident	81.8	Confident	14 Å²	14	46.4 Å²	46.4	10%	0.095	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.7	173.4	-61.3	0	0	0	0	111.3	L204 T205 C223 A227 V228	L204-C253 HydrophobicContact CB-CB 4.04Å; L204-C253 WeakPolarHBondContact O-CB 3.38Å; T205-C253 PolarHBondContact OG1-SG 2.88Å; T205-C253 VanDerWaalsContact OG1-SG 3.4Å; C223-C253 WeakPolarHBondContact CA-SG 3.41Å; C223-C253 HydrophobicContact CB-CB 3.82Å; C223-C253 WeakPolarHBondContact CB-SG 3.44Å; C223-C253 WeakPolarHBondContact SG-CB 3.42Å; C223-C253 CovalentContact SG-SG 2.04Å; C223-C253 PolarHBondContact SG-SG 3.39Å; A227-C253 HydrophobicContact CB-CB 4.36Å; V228-C253 WeakPolarHBondContact O-CA 3.16Å
254	S	90.4	Very high	81.5	Confident	16 Å²	16	49.8 Å²	49.8	11%	0.112	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.7	175.9	65.1	0	0	0	0	110.2	A227 V228 A256 G281	A227-S254 CarbonylContact C-O 3.57Å; A227-S254 WeakPolarHBondContact CA-O 3.28Å; V228-S254 PolarHBondContact N-O 3.04Å; V228-S254 PolarHBondContact O-N 3.07Å; S254-A256 PolarHBondContact O-N 2.8Å; S254-G281 PolarHBondContact OG-N 2.98Å
255	C	92	Very high	81.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.6	179.2	-64	0	0	0	0	111.1	L204 F259 E260 C268 K277 S280 G281	L204-C255 HydrophobicContact CD1-CB 4.49Å; L204-C255 WeakPolarHBondContact CD1-SG 3.37Å; C255-F259 HydrophobicContact CB-CB 4Å; C255-F259 WeakPolarHBondContact CB-O 3.48Å; C255-E260 VanDerWaalsContact SG-C 3.5Å; C255-C268 WeakPolarHBondContact CA-SG 3.35Å; C255-C268 HydrophobicContact CB-CB 3.9Å; C255-C268 WeakPolarHBondContact CB-SG 3.29Å; C255-C268 WeakPolarHBondContact SG-CA 3.35Å; C255-C268 WeakPolarHBondContact SG-CB 3.33Å; C255-C268 CovalentContact SG-SG 2.04Å; C255-C268 PolarHBondContact SG-SG 3.49Å; C255-K277 PolarHBondContact O-NZ 2.76Å; C255-S280 WeakPolarHBondContact O-CA 3.4Å; C255-G281 PolarHBondContact O-N 3.24Å
256	A	93.2	Very high	81.3	Confident	21 Å²	21	50.8 Å²	50.8	17%	0.174	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-60.6	167.5	178.8	0	0	0	0	0	112	D226 V228 S254 G258 F259	D226-A256 VanDerWaalsContact O-CB 3.26Å; D226-A256 WeakPolarHBondContact O-CB 3.33Å; D226-A256 PolarHBondContact O-N 2.97Å; V228-A256 HydrophobicContact CG1-CB 4.12Å; S254-A256 PolarHBondContact O-N 2.8Å; A256-G258 PolarHBondContact O-N 2.73Å; A256-F259 HydrophobicContact CB-CD2 4.36Å; A256-F259 PolarHBondContact O-N 3.01Å
257	A	92.4	Very high	81.8	Confident	34 Å²	34	54.9 Å²	54.9	28%	0.281	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.6	172.8	0	0	0	0	0	110.1	A300	A257-A300 HydrophobicContact CB-CB 3.73Å
258	G	93.1	Very high	83.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-2.7	-171.1	0	0	0	0	0	115.8	A256 C271 K277 G298	A256-G258 PolarHBondContact O-N 2.73Å; G258-C271 VanDerWaalsContact C-SG 3.54Å; G258-C271 PolarHBondContact O-N 2.97Å; G258-C271 PolarHBondContact O-SG 2.77Å; G258-K277 PolarHBondContact N-O 3.22Å; G258-G298 WeakPolarHBondContact CA-O 3.45Å; G258-G298 VanDerWaalsContact O-CA 3.32Å; G258-G298 WeakPolarHBondContact O-CA 3.34Å
259	F	94.3	Very high	84.6	Confident	40 Å²	40	49.8 Å²	49.8	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.6	-178.9	-63.9	-103.1	0	0	0	112.4	D226 C255 A256 C268 R269 A270 K277	D226-F259 HydrophobicContact CB-CD1 3.53Å; D226-F259 HydrophobicContact CB-CD2 4.17Å; D226-F259 HydrophobicContact CB-CE1 3.57Å; D226-F259 HydrophobicContact CB-CE2 4.22Å; D226-F259 HydrophobicContact CB-CG 3.85Å; D226-F259 HydrophobicContact CB-CZ 3.93Å; D226-F259 WeakPolarHBondContact OD2-CE1 3.47Å; C255-F259 HydrophobicContact CB-CB 4Å; C255-F259 WeakPolarHBondContact CB-O 3.48Å; A256-F259 HydrophobicContact CB-CD2 4.36Å; A256-F259 PolarHBondContact O-N 3.01Å; F259-C268 HydrophobicContact CB-CB 4.15Å; F259-R269 CarbonylContact C-O 3.57Å; F259-R269 VanDerWaalsContact CA-O 3.31Å; F259-R269 WeakPolarHBondContact CA-O 3.47Å; F259-A270 HydrophobicContact CD1-CB 3.86Å; F259-A270 HydrophobicContact CE1-CB 3.62Å; F259-A270 HydrophobicContact CZ-CB 4.24Å; F259-K277 WeakPolarHBondContact O-CD 3.48Å; F259-K277 PolarHBondContact O-NZ 2.95Å
260	E	92.4	Very high	86.3	Confident	29 Å²	29	45.6 Å²	45.6	14%	0.136	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	157.8	176	64.3	177.8	-168.9	0	0	111.6	C255 C268 R269 S284 C285	C255-E260 VanDerWaalsContact SG-C 3.5Å; E260-C268 CarbonylContact O-C 3.5Å; E260-C268 WeakPolarHBondContact O-CA 3.5Å; E260-R269 PolarHBondContact N-O 2.84Å; E260-R269 PolarHBondContact O-N 2.94Å; E260-R269 IonicContact OE1-CZ 3.88Å; E260-R269 IonicContact OE1-NE 3.17Å; E260-R269 IonicContact OE1-NH2 2.72Å; E260-R269 PolarHBondContact OE1-NH2 2.9Å; E260-S284 WeakPolarHBondContact OE2-CB 3.31Å; E260-C285 VanDerWaalsContact CD-SG 3.6Å; E260-C285 VanDerWaalsContact CG-SG 3.6Å; E260-C285 WeakPolarHBondContact OE2-CB 3.35Å; E260-C285 PolarHBondContact OE2-N 2.78Å; E260-C285 PolarHBondContact OE2-SG 2.83Å
261	A	90.4	Very high	88	Confident	40 Å²	40	45.3 Å²	45.3	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	137	177.1	0	0	0	0	0	110.9	L204 N265	L204-A261 HydrophobicContact CD1-CB 4.43Å; L204-A261 HydrophobicContact CD2-CB 4.46Å; A261-N265 VanDerWaalsContact CB-OD1 3.25Å; A261-N265 WeakPolarHBondContact CB-OD1 3.12Å
262	A	87.3	Confident	89.5	Confident	17 Å²	17	43 Å²	43	14%	0.14	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	167.9	179.1	0	0	0	0	0	110.9	G264 N265 T266 K267 R269	A262-G264 VanDerWaalsContact C-N 3.31Å; A262-G264 PolarHBondContact O-N 2.04Å; A262-N265 PolarHBondContact O-N 3.48Å; A262-T266 PolarHBondContact O-N 3.26Å; A262-K267 PolarHBondContact N-O 3.39Å; A262-K267 PolarHBondContact O-N 2.95Å; A262-R269 HydrophobicContact CB-CB 3.77Å
263	E	84.2	Confident	90.5	Very high	132 Å²	132	49.1 Å²	49.1	62%	0.617	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	47.5	176	-63.8	177.6	-157.9	0	0	112.9	T266 K267	E263-T266 PolarHBondContact O-OG1 2.86Å; E263-K267 IonicContact OE1-NZ 3.02Å; E263-K267 PolarHBondContact OE1-NZ 2.81Å; E263-K267 WeakPolarHBondContact OE2-CD 3.49Å; E263-K267 WeakPolarHBondContact OE2-CE 3.33Å; E263-K267 IonicContact OE2-NZ 2.85Å; E263-K267 PolarHBondContact OE2-NZ 2.78Å
264	G	77.8	Confident	90.6	Very high	72 Å²	72	50 Å²	50	74%	0.742	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	39.3	178.9	0	0	0	0	0	114.2	A262 T266	A262-G264 VanDerWaalsContact C-N 3.31Å; A262-G264 PolarHBondContact O-N 2.04Å; G264-T266 VanDerWaalsContact C-N 3.35Å; G264-T266 PolarHBondContact O-N 3.34Å
265	N	83.1	Confident	90.8	Very high	79 Å²	79	50.7 Å²	50.7	42%	0.422	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	29.5	-178.6	-58.4	-20.1	0	0	0	114.7	N203 L204 A261 A262	N203-N265 PolarHBondContact N-O 3.17Å; L204-N265 WeakPolarHBondContact CD2-O 3.3Å; L204-N265 PolarHBondContact N-O 2.86Å; A261-N265 VanDerWaalsContact CB-OD1 3.25Å; A261-N265 WeakPolarHBondContact CB-OD1 3.12Å; A262-N265 PolarHBondContact O-N 3.48Å
266	T	86.8	Confident	90.9	Very high	41 Å²	41	50.7 Å²	50.7	25%	0.252	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-16	176.4	61.4	0	0	0	0	113.2	T201 A262 E263 G264	T201-T266 WeakPolarHBondContact CG2-O 3.43Å; A262-T266 PolarHBondContact O-N 3.26Å; E263-T266 PolarHBondContact O-OG1 2.86Å; G264-T266 VanDerWaalsContact C-N 3.35Å; G264-T266 PolarHBondContact O-N 3.34Å
267	K	91.4	Very high	90.9	Very high	106 Å²	106	50.1 Å²	50.1	46%	0.461	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.2	178.4	-64.6	179.6	-171.4	151.7	0	111.8	L204 A262 E263	L204-K267 WeakPolarHBondContact CD2-O 3.1Å; A262-K267 PolarHBondContact N-O 3.39Å; A262-K267 PolarHBondContact O-N 2.95Å; E263-K267 IonicContact OE1-NZ 3.02Å; E263-K267 PolarHBondContact OE1-NZ 2.81Å; E263-K267 WeakPolarHBondContact OE2-CD 3.49Å; E263-K267 WeakPolarHBondContact OE2-CE 3.33Å; E263-K267 IonicContact OE2-NZ 2.85Å; E263-K267 PolarHBondContact OE2-NZ 2.78Å
268	C	93.1	Very high	90.8	Very high	18 Å²	18	49.9 Å²	49.9	12%	0.122	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.6	168.5	-67.9	0	0	0	0	110.4	D226 C255 F259 E260	D226-C268 HydrophobicContact CB-CB 4.1Å; C255-C268 WeakPolarHBondContact CA-SG 3.35Å; C255-C268 HydrophobicContact CB-CB 3.9Å; C255-C268 WeakPolarHBondContact CB-SG 3.29Å; C255-C268 WeakPolarHBondContact SG-CA 3.35Å; C255-C268 WeakPolarHBondContact SG-CB 3.33Å; C255-C268 CovalentContact SG-SG 2.04Å; C255-C268 PolarHBondContact SG-SG 3.49Å; F259-C268 HydrophobicContact CB-CB 4.15Å; E260-C268 CarbonylContact O-C 3.5Å; E260-C268 WeakPolarHBondContact O-CA 3.5Å
269	R	93.9	Very high	90.6	Very high	146 Å²	146	55.9 Å²	55.9	55%	0.551	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	134.4	177.3	-177.6	177.5	67.2	-177.9	0.4	109.6	F259 E260 A262	F259-R269 CarbonylContact C-O 3.57Å; F259-R269 VanDerWaalsContact CA-O 3.31Å; F259-R269 WeakPolarHBondContact CA-O 3.47Å; E260-R269 PolarHBondContact N-O 2.84Å; E260-R269 PolarHBondContact O-N 2.94Å; E260-R269 IonicContact OE1-CZ 3.88Å; E260-R269 IonicContact OE1-NE 3.17Å; E260-R269 IonicContact OE1-NH2 2.72Å; E260-R269 PolarHBondContact OE1-NH2 2.9Å; A262-R269 HydrophobicContact CB-CB 3.77Å
270	A	94.4	Very high	90.3	Very high	30 Å²	30	57.2 Å²	57.2	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	142.4	178.3	0	0	0	0	0	111.8	F259 A272 I297	F259-A270 HydrophobicContact CD1-CB 3.86Å; F259-A270 HydrophobicContact CE1-CB 3.62Å; F259-A270 HydrophobicContact CZ-CB 4.24Å; A270-A272 PolarHBondContact O-N 3.04Å; A270-I297 HydrophobicContact CB-CG2 3.59Å
271	C	94.4	Very high	89.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-59.1	134.2	176.3	-67	0	0	0	0	111.6	G258 T275 C285 I297 G298	G258-C271 VanDerWaalsContact C-SG 3.54Å; G258-C271 PolarHBondContact O-N 2.97Å; G258-C271 PolarHBondContact O-SG 2.77Å; C271-T275 WeakPolarHBondContact CB-OG1 3.47Å; C271-C285 WeakPolarHBondContact CA-SG 3.36Å; C271-C285 HydrophobicContact CB-CB 3.72Å; C271-C285 WeakPolarHBondContact CB-SG 3.26Å; C271-C285 WeakPolarHBondContact SG-CB 3.22Å; C271-C285 CovalentContact SG-SG 2.03Å; C271-C285 PolarHBondContact SG-SG 3.24Å; C271-I297 CarbonylContact O-C 3.58Å; C271-I297 VanDerWaalsContact O-CA 3.27Å; C271-I297 WeakPolarHBondContact O-CA 3.02Å; C271-I297 VanDerWaalsContact O-CG2 3.28Å; C271-I297 WeakPolarHBondContact O-CG2 3.01Å; C271-G298 PolarHBondContact O-N 3.35Å
272	A	93.6	Very high	88.9	Confident	62 Å²	62	64.6 Å²	64.6	51%	0.512	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-64.7	162	177.4	0	0	0	0	0	111.9	A270 G274 T275	A270-A272 PolarHBondContact O-N 3.04Å; A272-G274 PolarHBondContact O-N 3.48Å; A272-T275 PolarHBondContact N-OG1 3.13Å; A272-T275 VanDerWaalsContact N-OG1 3.08Å; A272-T275 PolarHBondContact O-N 3.48Å; A272-T275 PolarHBondContact O-OG1 3.02Å
273	Q	93.4	Very high	88.6	Confident	132 Å²	132	66 Å²	66	62%	0.617	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	139.2	175	-169.8	176.1	9.2	0	0	111.2	T275	Q273-T275 PolarHBondContact O-N 2.92Å
274	G	90.7	Very high	88.8	Confident	32 Å²	32	63.2 Å²	63.2	33%	0.33	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-3.5	-174.2	0	0	0	0	0	115.1	A272 C288 S294	A272-G274 PolarHBondContact O-N 3.48Å; G274-C288 PolarHBondContact O-N 3.06Å; G274-S294 PolarHBondContact N-O 3.22Å
275	T	94.5	Very high	89.6	Confident	32 Å²	32	60.8 Å²	60.8	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	160.4	174.2	71.2	0	0	0	0	111.6	C271 A272 Q273 Q286	C271-T275 WeakPolarHBondContact CB-OG1 3.47Å; A272-T275 PolarHBondContact N-OG1 3.13Å; A272-T275 VanDerWaalsContact N-OG1 3.08Å; A272-T275 PolarHBondContact O-N 3.48Å; A272-T275 PolarHBondContact O-OG1 3.02Å; Q273-T275 PolarHBondContact O-N 2.92Å; T275-Q286 CarbonylContact C-O 3.47Å; T275-Q286 WeakPolarHBondContact CA-O 3.49Å; T275-Q286 VanDerWaalsContact CB-O 3.26Å; T275-Q286 WeakPolarHBondContact CB-O 3.3Å
276	F	94.1	Very high	90	Very high	2 Å²	2	62 Å²	62	1%	0.009	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.8	179.3	82.1	-61.2	0	0	0	111.6	P278 Q286 S299 C302	F276-P278 HydrophobicContact CD2-CB 4.3Å; F276-P278 HydrophobicContact CD2-CG 4.48Å; F276-P278 HydrophobicContact CE2-CB 3.88Å; F276-P278 HydrophobicContact CE2-CG 3.87Å; F276-P278 HydrophobicContact CZ-CG 4.49Å; F276-Q286 WeakPolarHBondContact CD1-O 3.35Å; F276-Q286 HydrophobicContact CE1-CB 4.23Å; F276-Q286 PolarHBondContact N-O 3.2Å; F276-Q286 PolarHBondContact O-N 3.11Å; F276-S299 WeakPolarHBondContact CA-O 3.44Å; F276-S299 VanDerWaalsContact CB-O 3.26Å; F276-S299 WeakPolarHBondContact CB-O 3.4Å; F276-C302 WeakPolarHBondContact CD1-SG 3.42Å; F276-C302 WeakPolarHBondContact CG-SG 3.44Å
277	K	93.6	Very high	90.4	Very high	8 Å²	8	64.9 Å²	64.9	4%	0.035	37%	0.374	C	S	.	.			trans	-135.7	112	168.7	-175.2	-169.7	-177.8	-171.6	0	110	C255 G258 F259 L279 G281 G283 S299 A300	C255-K277 PolarHBondContact O-NZ 2.76Å; G258-K277 PolarHBondContact N-O 3.22Å; F259-K277 WeakPolarHBondContact O-CD 3.48Å; F259-K277 PolarHBondContact O-NZ 2.95Å; K277-L279 VanDerWaalsContact CE-O 3.25Å; K277-L279 WeakPolarHBondContact CE-O 3.35Å; K277-L279 PolarHBondContact O-N 2.98Å; K277-G281 PolarHBondContact NZ-O 3.19Å; K277-G283 VanDerWaalsContact CE-O 3.26Å; K277-G283 WeakPolarHBondContact CE-O 3.47Å; K277-G283 PolarHBondContact NZ-O 3.26Å; K277-S299 PolarHBondContact N-O 3.17Å; K277-S299 VanDerWaalsContact N-O 3.1Å; K277-A300 WeakPolarHBondContact O-CA 3.16Å
278	P	90.3	Very high	90.5	Very high	29 Å²	29	61.2 Å²	61.2	19%	0.188	36%	0.361	C	S	.	.			trans	-74.3	-29.4	-166.9	25.6	-32.3	0	0	0	115.8	F276 A300 R316	F276-P278 HydrophobicContact CD2-CB 4.3Å; F276-P278 HydrophobicContact CD2-CG 4.48Å; F276-P278 HydrophobicContact CE2-CB 3.88Å; F276-P278 HydrophobicContact CE2-CG 3.87Å; F276-P278 HydrophobicContact CZ-CG 4.49Å; P278-A300 VanDerWaalsContact CA-O 3.3Å; P278-A300 WeakPolarHBondContact CA-O 3.5Å; P278-R316 HydrophobicContact CB-CB 3.77Å
279	L	89.3	Confident	90.5	Very high	126 Å²	126	61.5 Å²	61.5	66%	0.66	36%	0.363	S	S	*	.	S	Bend	trans	-128.2	151.7	-172.5	-60.8	174.6	0	0	0	110.1	K277	K277-L279 VanDerWaalsContact CE-O 3.25Å; K277-L279 WeakPolarHBondContact CE-O 3.35Å; K277-L279 PolarHBondContact O-N 2.98Å
280	S	87.3	Confident	90.5	Very high	68 Å²	68	57.5 Å²	57.5	48%	0.476	36%	0.361	S	S	.	.	S	Bend	trans	-69.8	148.9	162.9	50.6	0	0	0	0	109.9	C255	C255-S280 WeakPolarHBondContact O-CA 3.4Å
281	G	80.9	Confident	90.5	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	36%	0.362	C	S	.	.	S	Bend	trans	126.2	-161.9	-179.2	0	0	0	0	0	113.2	S254 C255 K277	S254-G281 PolarHBondContact OG-N 2.98Å; C255-G281 PolarHBondContact O-N 3.24Å; K277-G281 PolarHBondContact NZ-O 3.19Å
282	E	72.3	Confident	90.5	Very high	203 Å²	203	58.7 Å²	58.7	95%	0.949	36%	0.364	S	S	*	.	S	Bend	trans	-69.1	140.7	176.2	-63.9	-169.6	161.9	0	0	111.2
283	G	80.4	Confident	90.4	Very high	47 Å²	47	58.8 Å²	58.8	49%	0.485	35%	0.354	S	S	.	.			trans	133.3	146.8	-179.3	0	0	0	0	0	113.3	K277	K277-G283 VanDerWaalsContact CE-O 3.26Å; K277-G283 WeakPolarHBondContact CE-O 3.47Å; K277-G283 PolarHBondContact NZ-O 3.26Å
284	S	89.8	Confident	90.4	Very high	72 Å²	72	52.9 Å²	52.9	50%	0.503	33%	0.327	S	S	.	.			trans	-92.3	166.2	175.3	52.7	0	0	0	0	111.7	E260 Q286	E260-S284 WeakPolarHBondContact OE2-CB 3.31Å; S284-Q286 PolarHBondContact O-N 3.09Å
285	C	93.3	Very high	90.3	Very high	21 Å²	21	56.3 Å²	56.3	14%	0.142	34%	0.338	C	S	.	.			trans	-63.5	130.6	171.8	-62.9	0	0	0	0	110.2	E260 C271	E260-C285 VanDerWaalsContact CD-SG 3.6Å; E260-C285 VanDerWaalsContact CG-SG 3.6Å; E260-C285 WeakPolarHBondContact OE2-CB 3.35Å; E260-C285 PolarHBondContact OE2-N 2.78Å; E260-C285 PolarHBondContact OE2-SG 2.83Å; C271-C285 WeakPolarHBondContact CA-SG 3.36Å; C271-C285 HydrophobicContact CB-CB 3.72Å; C271-C285 WeakPolarHBondContact CB-SG 3.26Å; C271-C285 WeakPolarHBondContact SG-CB 3.22Å; C271-C285 CovalentContact SG-SG 2.03Å; C271-C285 PolarHBondContact SG-SG 3.24Å
286	Q	93.4	Very high	90	Very high	106 Å²	106	59.9 Å²	59.9	50%	0.495	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.9	-178.2	-65.4	-179.2	1.8	0	0	110.3	T275 F276 S284	T275-Q286 CarbonylContact C-O 3.47Å; T275-Q286 WeakPolarHBondContact CA-O 3.49Å; T275-Q286 VanDerWaalsContact CB-O 3.26Å; T275-Q286 WeakPolarHBondContact CB-O 3.3Å; F276-Q286 WeakPolarHBondContact CD1-O 3.35Å; F276-Q286 HydrophobicContact CE1-CB 4.23Å; F276-Q286 PolarHBondContact N-O 3.2Å; F276-Q286 PolarHBondContact O-N 3.11Å; S284-Q286 PolarHBondContact O-N 3.09Å
287	P	94.3	Very high	89.9	Confident	101 Å²	101	65.8 Å²	65.8	66%	0.656	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	148	172.5	27.5	-34.4	0	0	0	110.6
288	C	93.8	Very high	89.8	Confident	28 Å²	28	66.3 Å²	66.3	19%	0.189	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-57	135.6	176.3	-77.4	0	0	0	0	111.7	G274 H293 S294 C302	G274-C288 PolarHBondContact O-N 3.06Å; C288-H293 VanDerWaalsContact SG-C 3.57Å; C288-S294 WeakPolarHBondContact SG-CB 3.39Å; C288-S294 PolarHBondContact SG-N 3.41Å; C288-C302 WeakPolarHBondContact CA-SG 3.25Å; C288-C302 HydrophobicContact CB-CB 3.74Å; C288-C302 WeakPolarHBondContact CB-SG 3.36Å; C288-C302 WeakPolarHBondContact SG-CB 3.29Å; C288-C302 CovalentContact SG-SG 2.04Å; C288-C302 PolarHBondContact SG-SG 3.37Å
289	P	93.6	Very high	90	Very high	24 Å²	24	65.7 Å²	65.7	16%	0.156	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68.3	166.6	-179.2	30.6	-37.1	0	0	0	111.3	S292 A318 P319	P289-S292 VanDerWaalsContact CD-OG 3.25Å; P289-S292 WeakPolarHBondContact CD-OG 3.46Å; P289-S292 WeakPolarHBondContact CG-OG 3.42Å; P289-S292 WeakPolarHBondContact O-CB 3.49Å; P289-S292 PolarHBondContact O-N 3.47Å; P289-S292 VanDerWaalsContact O-N 3.17Å; P289-S292 PolarHBondContact O-OG 3.11Å; P289-A318 WeakPolarHBondContact CG-O 3.34Å; P289-P319 HydrophobicContact CB-CB 4.44Å
290	A	93.1	Very high	90.1	Very high	62 Å²	62	61 Å²	61	51%	0.512	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	142.1	-175.3	0	0	0	0	0	112.7	S292 P319 C320	A290-S292 PolarHBondContact O-N 3.33Å; A290-P319 HydrophobicContact CB-CB 4.04Å; A290-C320 PolarHBondContact O-N 2.8Å
291	N	93.7	Very high	90.3	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.262	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	25.8	-178.9	-48.3	-47.4	0	0	0	114.9	R305 Y308 C320	N291-R305 WeakPolarHBondContact O-CG 3.39Å; N291-R305 PolarHBondContact O-N 2.82Å; N291-Y308 HydrophobicContact CB-CD1 3.44Å; N291-Y308 VanDerWaalsContact CB-CD1 3.44Å; N291-Y308 HydrophobicContact CB-CD2 3.97Å; N291-Y308 HydrophobicContact CB-CE1 3.74Å; N291-Y308 HydrophobicContact CB-CE2 4.23Å; N291-Y308 HydrophobicContact CB-CG 3.57Å; N291-Y308 VanDerWaalsContact CG-CD1 3.49Å; N291-Y308 WeakPolarHBondContact ND2-CD1 3.3Å; N291-Y308 WeakPolarHBondContact ND2-CE1 3.25Å; N291-C320 HydrophobicContact CB-CB 4.13Å; N291-C320 PolarHBondContact ND2-O 3.26Å; N291-C320 VanDerWaalsContact ND2-O 3.13Å
292	S	94.4	Very high	90.9	Very high	6 Å²	6	60 Å²	60	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	168.6	173.8	78.2	0	0	0	0	112.2	P289 A290 C302 Q303	P289-S292 VanDerWaalsContact CD-OG 3.25Å; P289-S292 WeakPolarHBondContact CD-OG 3.46Å; P289-S292 WeakPolarHBondContact CG-OG 3.42Å; P289-S292 WeakPolarHBondContact O-CB 3.49Å; P289-S292 PolarHBondContact O-N 3.47Å; P289-S292 VanDerWaalsContact O-N 3.17Å; P289-S292 PolarHBondContact O-OG 3.11Å; A290-S292 PolarHBondContact O-N 3.33Å; S292-C302 VanDerWaalsContact OG-CB 3.26Å; S292-C302 WeakPolarHBondContact OG-CB 2.98Å; S292-Q303 CarbonylContact C-O 3.56Å; S292-Q303 WeakPolarHBondContact CA-O 3.31Å; S292-Q303 WeakPolarHBondContact CB-O 3.43Å
293	H	92.8	Very high	91.9	Very high	65 Å²	65	56.3 Å²	56.3	30%	0.301	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.8	-180	70.4	-62.5	0	0	0	112.2	C288 C302 Q303	C288-H293 VanDerWaalsContact SG-C 3.57Å; H293-C302 CarbonylContact O-C 3.59Å; H293-C302 WeakPolarHBondContact O-CA 3.32Å; H293-Q303 PolarHBondContact N-O 2.94Å; H293-Q303 PolarHBondContact ND1-O 3.16Å; H293-Q303 PolarHBondContact O-N 2.86Å
294	S	92.6	Very high	92.5	Very high	8 Å²	8	56 Å²	56	6%	0.056	33%	0.328	C	S	.	.			trans	-142.5	119.5	176.6	170	0	0	0	0	109.6	G274 C288 N296 S299	G274-S294 PolarHBondContact N-O 3.22Å; C288-S294 WeakPolarHBondContact SG-CB 3.39Å; C288-S294 PolarHBondContact SG-N 3.41Å; S294-N296 PolarHBondContact OG-O 3.35Å; S294-S299 WeakPolarHBondContact OG-CB 3.49Å; S294-S299 PolarHBondContact OG-OG 2.74Å
295	N	88.4	Confident	92.7	Very high	103 Å²	103	59.4 Å²	59.4	55%	0.551	33%	0.33	S	S	*	.			trans	-96.5	-14.4	-179.9	-65.1	-22.4	0	0	0	113.1
296	N	88	Confident	92.5	Very high	108 Å²	108	66.8 Å²	66.8	58%	0.578	37%	0.367	S	S	*	.	S	Bend	trans	-102	141.7	-175.7	-62	-21.6	0	0	0	110.9	S294 S299	S294-N296 PolarHBondContact OG-O 3.35Å; N296-S299 PolarHBondContact O-OG 3.08Å
297	I	92.8	Very high	92.3	Very high	125 Å²	125	63.7 Å²	63.7	64%	0.641	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	142	167.3	-57.3	175.2	0	0	0	108.1	A270 C271	A270-I297 HydrophobicContact CB-CG2 3.59Å; C271-I297 CarbonylContact O-C 3.58Å; C271-I297 VanDerWaalsContact O-CA 3.27Å; C271-I297 WeakPolarHBondContact O-CA 3.02Å; C271-I297 VanDerWaalsContact O-CG2 3.28Å; C271-I297 WeakPolarHBondContact O-CG2 3.01Å
298	G	92	Very high	92.2	Very high	19 Å²	19	62.8 Å²	62.8	20%	0.196	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	22.9	178.3	0	0	0	0	0	114.8	G258 C271	G258-G298 WeakPolarHBondContact CA-O 3.45Å; G258-G298 VanDerWaalsContact O-CA 3.32Å; G258-G298 WeakPolarHBondContact O-CA 3.34Å; C271-G298 PolarHBondContact O-N 3.35Å
299	S	93.6	Very high	92.2	Very high	17 Å²	17	64 Å²	64	12%	0.119	35%	0.35	C	S	.	.			trans	-74.4	130.2	-174	-69.1	0	0	0	0	113	F276 K277 S294 N296	F276-S299 WeakPolarHBondContact CA-O 3.44Å; F276-S299 VanDerWaalsContact CB-O 3.26Å; F276-S299 WeakPolarHBondContact CB-O 3.4Å; K277-S299 PolarHBondContact N-O 3.17Å; K277-S299 VanDerWaalsContact N-O 3.1Å; S294-S299 WeakPolarHBondContact OG-CB 3.49Å; S294-S299 PolarHBondContact OG-OG 2.74Å; N296-S299 PolarHBondContact O-OG 3.08Å
300	A	91.4	Very high	92.1	Very high	27 Å²	27	65 Å²	65	22%	0.223	35%	0.35	C	S	.	.	S	Bend	trans	-90.4	-7.7	173.2	0	0	0	0	0	113.6	A257 K277 P278	A257-A300 HydrophobicContact CB-CB 3.73Å; K277-A300 WeakPolarHBondContact O-CA 3.16Å; P278-A300 VanDerWaalsContact CA-O 3.3Å; P278-A300 WeakPolarHBondContact CA-O 3.5Å
301	V	91.4	Very high	92	Very high	70 Å²	70	62.6 Å²	62.6	42%	0.424	33%	0.331	S	S	.	.	S	Bend	trans	-153.1	140.5	-180	63.4	0	0	0	0	109.6
302	C	93.1	Very high	91.7	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-90.8	132.5	171.8	-61.3	0	0	0	0	110.1	F276 C288 S292 H293 R310	F276-C302 WeakPolarHBondContact CD1-SG 3.42Å; F276-C302 WeakPolarHBondContact CG-SG 3.44Å; C288-C302 WeakPolarHBondContact CA-SG 3.25Å; C288-C302 HydrophobicContact CB-CB 3.74Å; C288-C302 WeakPolarHBondContact CB-SG 3.36Å; C288-C302 WeakPolarHBondContact SG-CB 3.29Å; C288-C302 CovalentContact SG-SG 2.04Å; C288-C302 PolarHBondContact SG-SG 3.37Å; S292-C302 VanDerWaalsContact OG-CB 3.26Å; S292-C302 WeakPolarHBondContact OG-CB 2.98Å; H293-C302 CarbonylContact O-C 3.59Å; H293-C302 WeakPolarHBondContact O-CA 3.32Å; C302-R310 PolarHBondContact O-NH1 2.86Å
303	Q	93.4	Very high	91.4	Very high	124 Å²	124	78.4 Å²	78.4	58%	0.579	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.6	178.2	-63.3	-179.9	1.8	0	0	110.7	S292 H293	S292-Q303 CarbonylContact C-O 3.56Å; S292-Q303 WeakPolarHBondContact CA-O 3.31Å; S292-Q303 WeakPolarHBondContact CB-O 3.43Å; H293-Q303 PolarHBondContact N-O 2.94Å; H293-Q303 PolarHBondContact ND1-O 3.16Å; H293-Q303 PolarHBondContact O-N 2.86Å
304	C	93.4	Very high	91.3	Very high	40 Å²	40	76.7 Å²	76.7	27%	0.27	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.1	177.1	-65.8	0	0	0	0	111.5	Y308 C320	C304-Y308 VanDerWaalsContact CB-O 3.27Å; C304-Y308 WeakPolarHBondContact CB-O 3.08Å; C304-C320 WeakPolarHBondContact CA-SG 3.26Å; C304-C320 HydrophobicContact CB-CB 3.72Å; C304-C320 WeakPolarHBondContact CB-SG 3.48Å; C304-C320 WeakPolarHBondContact SG-CB 3.45Å; C304-C320 CovalentContact SG-SG 2.04Å; C304-C320 PolarHBondContact SG-SG 2.86Å
305	R	93.3	Very high	91.1	Very high	144 Å²	144	80.7 Å²	80.7	54%	0.543	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-69.6	157.4	170	-66	-178.5	-175	-170.2	-2	109.9	N291 G307 Y308	N291-R305 WeakPolarHBondContact O-CG 3.39Å; N291-R305 PolarHBondContact O-N 2.82Å; R305-G307 PolarHBondContact O-N 3.49Å; R305-Y308 HydrophobicContact CB-CD2 4.19Å; R305-Y308 PolarHBondContact O-N 2.99Å
306	I	90.8	Very high	90.9	Very high	176 Å²	176	82.8 Å²	82.8	90%	0.903	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.2	179.2	-60.1	172	0	0	0	109.7
307	G	88.3	Confident	90.8	Very high	42 Å²	42	79.3 Å²	79.3	43%	0.433	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-6.1	-178.1	0	0	0	0	0	115.2	R305 F309	R305-G307 PolarHBondContact O-N 3.49Å; G307-F309 VanDerWaalsContact O-CE2 3.27Å; G307-F309 WeakPolarHBondContact O-CE2 3.48Å
308	Y	93	Very high	90.7	Very high	82 Å²	82	74.2 Å²	74.2	32%	0.322	39%	0.385	S	S	.	.			trans	-115.6	150.4	176.8	-63.7	-97.1	0	0	0	111.5	N291 C304 R305 C320 T322	N291-Y308 HydrophobicContact CB-CD1 3.44Å; N291-Y308 VanDerWaalsContact CB-CD1 3.44Å; N291-Y308 HydrophobicContact CB-CD2 3.97Å; N291-Y308 HydrophobicContact CB-CE1 3.74Å; N291-Y308 HydrophobicContact CB-CE2 4.23Å; N291-Y308 HydrophobicContact CB-CG 3.57Å; N291-Y308 VanDerWaalsContact CG-CD1 3.49Å; N291-Y308 WeakPolarHBondContact ND2-CD1 3.3Å; N291-Y308 WeakPolarHBondContact ND2-CE1 3.25Å; C304-Y308 VanDerWaalsContact CB-O 3.27Å; C304-Y308 WeakPolarHBondContact CB-O 3.08Å; R305-Y308 HydrophobicContact CB-CD2 4.19Å; R305-Y308 PolarHBondContact O-N 2.99Å; Y308-C320 WeakPolarHBondContact CD1-O 3.38Å; Y308-T322 HydrophobicContact CD1-CG2 3.41Å; Y308-T322 VanDerWaalsContact CD1-CG2 3.41Å; Y308-T322 HydrophobicContact CE1-CG2 3.44Å; Y308-T322 VanDerWaalsContact CE1-CG2 3.44Å; Y308-T322 HydrophobicContact CG-CG2 4.06Å
309	F	92.7	Very high	90.7	Very high	54 Å²	54	76.2 Å²	76.2	24%	0.237	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-141.3	162.3	-170.5	-50.6	-82.8	0	0	0	111.7	G307 C320 T321 V412 L415 A416	G307-F309 VanDerWaalsContact O-CE2 3.27Å; G307-F309 WeakPolarHBondContact O-CE2 3.48Å; F309-C320 WeakPolarHBondContact O-CA 3.34Å; F309-T321 PolarHBondContact N-O 3.4Å; F309-T321 PolarHBondContact O-N 2.89Å; F309-T321 PolarHBondContact O-OG1 2.82Å; F309-V412 HydrophobicContact CB-CB 3.98Å; F309-V412 HydrophobicContact CB-CG1 4.02Å; F309-L415 HydrophobicContact CB-CB 4.3Å; F309-L415 HydrophobicContact CB-CD1 3.94Å; F309-L415 HydrophobicContact CD1-CB 3.93Å; F309-L415 HydrophobicContact CE1-CB 4.47Å; F309-L415 HydrophobicContact CG-CB 4.05Å; F309-A416 HydrophobicContact CE2-CB 4.13Å; F309-A416 HydrophobicContact CZ-CB 4.47Å
310	R	92.8	Very high	90.8	Very high	44 Å²	44	75.5 Å²	75.5	17%	0.166	39%	0.389	C	S	.	.			trans	-123.6	135.7	165.1	-73	-172.8	-166.8	101.7	-3.9	109.1	C302 D314 A318 L415	C302-R310 PolarHBondContact O-NH1 2.86Å; R310-D314 WeakPolarHBondContact CA-OD2 3.34Å; R310-D314 HydrophobicContact CB-CB 4.24Å; R310-A318 VanDerWaalsContact CZ-O 3.31Å; R310-A318 PolarHBondContact NE-O 3.43Å; R310-A318 PolarHBondContact NH2-O 3.04Å; R310-L415 WeakPolarHBondContact O-CD1 3.48Å
311	A	91.1	Very high	91	Very high	12 Å²	12	74.7 Å²	74.7	10%	0.099	38%	0.382	C	S	.	.			trans	-69.5	159.9	170.7	0	0	0	0	0	110.1	T313 D314 V412	A311-T313 PolarHBondContact O-N 3.02Å; A311-D314 PolarHBondContact N-OD2 2.85Å; A311-D314 WeakPolarHBondContact O-CB 3.43Å; A311-D314 PolarHBondContact O-N 3.46Å; A311-D314 VanDerWaalsContact O-N 3.07Å; A311-V412 HydrophobicContact CB-CG1 4.29Å
312	R	87.1	Confident	91	Very high	261 Å²	261	73.1 Å²	73.1	99%	0.985	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.7	178.3	-68.9	-173.3	177.3	-148.2	0.3	113.3	D314	R312-D314 VanDerWaalsContact C-N 3.34Å
313	T	87.4	Confident	91.1	Very high	125 Å²	125	75 Å²	75	77%	0.767	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.8	177.1	47.9	0	0	0	0	112.9	A311	A311-T313 PolarHBondContact O-N 3.02Å
314	D	89.9	Confident	91.1	Very high	30 Å²	30	69.4 Å²	69.4	16%	0.16	36%	0.359	C	S	.	.	S	Bend	trans	-73.8	136.4	-178.6	-65.1	-17.2	0	0	0	110.3	R310 A311 R312 A318 R352	R310-D314 WeakPolarHBondContact CA-OD2 3.34Å; R310-D314 HydrophobicContact CB-CB 4.24Å; A311-D314 PolarHBondContact N-OD2 2.85Å; A311-D314 WeakPolarHBondContact O-CB 3.43Å; A311-D314 PolarHBondContact O-N 3.46Å; A311-D314 VanDerWaalsContact O-N 3.07Å; R312-D314 VanDerWaalsContact C-N 3.34Å; D314-A318 HydrophobicContact CB-CB 4.16Å; D314-R352 IonicContact OD1-CZ 2.85Å; D314-R352 IonicContact OD1-NH1 3.84Å; D314-R352 PolarHBondContact OD1-NH1 2.85Å; D314-R352 IonicContact OD1-NH2 3.19Å; D314-R352 PolarHBondContact OD1-NH2 3.12Å; D314-R352 IonicContact OD2-CZ 3.59Å; D314-R352 IonicContact OD2-NH1 3.9Å; D314-R352 PolarHBondContact OD2-NH1 3.28Å; D314-R352 IonicContact OD2-NH2 3.32Å
315	P	88.7	Confident	91.1	Very high	92 Å²	92	69 Å²	69	60%	0.597	36%	0.356	S	S	*	.			trans	-64	150.9	173.9	26.3	-31.8	0	0	0	110.1	G317 A318	P315-G317 PolarHBondContact O-N 3.43Å; P315-A318 HydrophobicContact CG-CB 3.99Å; P315-A318 VanDerWaalsContact O-CB 3.29Å; P315-A318 WeakPolarHBondContact O-CB 3.16Å; P315-A318 PolarHBondContact O-N 3.05Å
316	R	85.3	Confident	91.1	Very high	147 Å²	147	63.1 Å²	63.1	56%	0.555	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.6	-179.4	-67.5	-176.9	-179.6	178.1	-0.8	113.8	P278	P278-R316 HydrophobicContact CB-CB 3.77Å
317	G	85.5	Confident	91.3	Very high	35 Å²	35	54.9 Å²	54.9	36%	0.361	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.3	175.2	0	0	0	0	0	115.7	P315	P315-G317 PolarHBondContact O-N 3.43Å
318	A	90.7	Very high	91.6	Very high	17 Å²	17	58.4 Å²	58.4	14%	0.14	30%	0.297	C	S	.	.	S	Bend	trans	-66.6	151.1	177.6	0	0	0	0	0	111.9	P289 R310 D314 P315	P289-A318 WeakPolarHBondContact CG-O 3.34Å; R310-A318 VanDerWaalsContact CZ-O 3.31Å; R310-A318 PolarHBondContact NE-O 3.43Å; R310-A318 PolarHBondContact NH2-O 3.04Å; D314-A318 HydrophobicContact CB-CB 4.16Å; P315-A318 HydrophobicContact CG-CB 3.99Å; P315-A318 VanDerWaalsContact O-CB 3.29Å; P315-A318 WeakPolarHBondContact O-CB 3.16Å; P315-A318 PolarHBondContact O-N 3.05Å
319	P	92.9	Very high	91.5	Very high	62 Å²	62	58.9 Å²	58.9	40%	0.403	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.6	156.5	168.1	30.1	-35	0	0	0	111.1	P289 A290	P289-P319 HydrophobicContact CB-CB 4.44Å; A290-P319 HydrophobicContact CB-CB 4.04Å
320	C	94.4	Very high	91.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-83.7	136.1	170.6	-54.9	0	0	0	0	109.7	A290 N291 C304 Y308 F309	A290-C320 PolarHBondContact O-N 2.8Å; N291-C320 HydrophobicContact CB-CB 4.13Å; N291-C320 PolarHBondContact ND2-O 3.26Å; N291-C320 VanDerWaalsContact ND2-O 3.13Å; C304-C320 WeakPolarHBondContact CA-SG 3.26Å; C304-C320 HydrophobicContact CB-CB 3.72Å; C304-C320 WeakPolarHBondContact CB-SG 3.48Å; C304-C320 WeakPolarHBondContact SG-CB 3.45Å; C304-C320 CovalentContact SG-SG 2.04Å; C304-C320 PolarHBondContact SG-SG 2.86Å; Y308-C320 WeakPolarHBondContact CD1-O 3.38Å; F309-C320 WeakPolarHBondContact O-CA 3.34Å
321	T	95	Very high	91.5	Very high	10 Å²	10	59 Å²	59	6%	0.061	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-120	167.1	-170.9	50.2	0	0	0	0	111.4	F309 G350 R352	F309-T321 PolarHBondContact N-O 3.4Å; F309-T321 PolarHBondContact O-N 2.89Å; F309-T321 PolarHBondContact O-OG1 2.82Å; T321-G350 WeakPolarHBondContact CB-O 3.42Å; T321-R352 HydrophobicContact CG2-CG 3.71Å; T321-R352 WeakPolarHBondContact OG1-CD 3.3Å; T321-R352 PolarHBondContact OG1-NH1 3.05Å
322	T	93.3	Very high	91.5	Very high	37 Å²	37	60.9 Å²	60.9	23%	0.227	34%	0.335	C	S	.	.			trans	-115.4	165.1	178.9	58	0	0	0	0	111.3	Y308 G350 N410 V412	Y308-T322 HydrophobicContact CD1-CG2 3.41Å; Y308-T322 VanDerWaalsContact CD1-CG2 3.41Å; Y308-T322 HydrophobicContact CE1-CG2 3.44Å; Y308-T322 VanDerWaalsContact CE1-CG2 3.44Å; Y308-T322 HydrophobicContact CG-CG2 4.06Å; T322-G350 PolarHBondContact N-O 3.21Å; T322-G350 VanDerWaalsContact N-O 3.17Å; T322-G350 WeakPolarHBondContact O-CA 3.12Å; T322-G350 VanDerWaalsContact OG1-CA 3.27Å; T322-G350 WeakPolarHBondContact OG1-CA 3.46Å; T322-N410 PolarHBondContact O-ND2 2.81Å; T322-V412 WeakPolarHBondContact O-CG2 3.31Å
323	P	93.3	Very high	91.6	Very high	40 Å²	40	55.4 Å²	55.4	26%	0.26	31%	0.314	S	S	.	.			trans	-60.6	156.2	165	-19.8	32.2	0	0	0	111.7	A416	P323-A416 HydrophobicContact CG-CB 3.42Å; P323-A416 VanDerWaalsContact CG-CB 3.42Å
324	P	94.5	Very high	91.4	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.045	29%	0.292	C	S	.	.			trans	-79.3	164.7	179.7	35	-34.2	0	0	0	112.2	P346 E348 L355 A408 S413	P324-P346 HydrophobicContact CB-CG 4.15Å; P324-E348 CarbonylContact C-O 3.45Å; P324-E348 WeakPolarHBondContact CA-O 3.49Å; P324-E348 WeakPolarHBondContact CB-O 3.36Å; P324-L355 HydrophobicContact CB-CD2 3.8Å; P324-L355 HydrophobicContact CG-CD2 3.99Å; P324-A408 HydrophobicContact CB-CB 4.38Å; P324-A408 HydrophobicContact CG-CB 3.97Å; P324-A408 WeakPolarHBondContact CG-O 3.31Å; P324-S413 VanDerWaalsContact CD-OG 3.31Å; P324-S413 WeakPolarHBondContact CD-OG 3.33Å
325	S	93.9	Very high	90.8	Very high	30 Å²	30	57.4 Å²	57.4	21%	0.21	32%	0.319	C	S	.	.			trans	-74.2	176	168	75.3	0	0	0	0	111.6	P346 L347 E348	S325-P346 VanDerWaalsContact O-CB 3.22Å; S325-P346 WeakPolarHBondContact O-CB 3.49Å; S325-P346 WeakPolarHBondContact OG-CB 3.17Å; S325-L347 PolarHBondContact OG-N 3.02Å; S325-L347 VanDerWaalsContact OG-N 3.11Å; S325-E348 PolarHBondContact N-O 3.14Å; S325-E348 PolarHBondContact OG-N 2.72Å
326	A	93.4	Very high	90.1	Very high	22 Å²	22	55.7 Å²	55.7	18%	0.182	32%	0.318	C	S	.	.			trans	-63.6	151.1	173.4	0	0	0	0	0	111.9	P346 P421	A326-P346 WeakPolarHBondContact O-CA 3.41Å; A326-P346 WeakPolarHBondContact O-CB 3.37Å; A326-P421 HydrophobicContact CB-CB 3.9Å
327	P	94.4	Very high	89.7	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.013	31%	0.314	C	S	.	.			trans	-57.7	160.7	168.7	-19.5	30.5	0	0	0	112.1	W343 Y357 V406 A408	P327-W343 HydrophobicContact CB-CB 4.5Å; P327-W343 HydrophobicContact CB-CG 4.32Å; P327-Y357 HydrophobicContact CG-CD1 4.13Å; P327-Y357 HydrophobicContact CG-CE1 4.3Å; P327-V406 HydrophobicContact CB-CG1 4.41Å; P327-V406 WeakPolarHBondContact CD-O 3.42Å; P327-V406 HydrophobicContact CG-CB 4.29Å; P327-V406 HydrophobicContact CG-CG1 3.89Å; P327-A408 HydrophobicContact CG-CB 4.03Å
328	R	93.8	Very high	89.6	Confident	117 Å²	117	51.9 Å²	51.9	44%	0.442	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	156.3	-177.8	-62.9	-177	-64.5	165.1	2.5	111.6	V330 S344 A345	R328-V330 PolarHBondContact O-N 3.47Å; R328-S344 VanDerWaalsContact CB-OG 3.31Å; R328-S344 WeakPolarHBondContact CB-OG 3.34Å; R328-S344 PolarHBondContact N-O 2.85Å; R328-S344 WeakPolarHBondContact O-CA 3.45Å; R328-S344 PolarHBondContact O-N 3.5Å; R328-S344 PolarHBondContact O-OG 3.37Å; R328-A345 PolarHBondContact NE-O 3.28Å; R328-A345 PolarHBondContact NH2-O 3.25Å
329	S	92.1	Very high	89.5	Confident	91 Å²	91	51.1 Å²	51.1	64%	0.636	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.9	53.2	168.9	-51.3	0	0	0	0	113.9	V331	S329-V331 PolarHBondContact O-N 3.41Å
330	V	92.8	Very high	89.5	Confident	30 Å²	30	50.9 Å²	50.9	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.3	176.6	-175.1	0	0	0	0	109.5	R328 E342 W343 V406 E423 V425	R328-V330 PolarHBondContact O-N 3.47Å; V330-E342 CarbonylContact C-O 3.56Å; V330-E342 WeakPolarHBondContact CA-O 3.14Å; V330-W343 HydrophobicContact CB-CB 4.41Å; V330-W343 HydrophobicContact CG2-CB 3.88Å; V330-V406 HydrophobicContact CG1-CG2 4.12Å; V330-V406 HydrophobicContact CG2-CG2 4.09Å; V330-E423 HydrophobicContact CB-CG 4.41Å; V330-E423 HydrophobicContact CG2-CB 3.93Å; V330-E423 HydrophobicContact CG2-CG 3.54Å; V330-V425 HydrophobicContact CG1-CB 3.98Å; V330-V425 HydrophobicContact CG1-CG1 3.91Å; V330-V425 HydrophobicContact CG1-CG2 4.4Å
331	V	92.3	Very high	89.5	Confident	70 Å²	70	50.8 Å²	50.8	42%	0.424	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.7	-180	-178.2	0	0	0	0	109.7	S329 R333 L341 E342	S329-V331 PolarHBondContact O-N 3.41Å; V331-R333 HydrophobicContact CG1-CG 4.47Å; V331-L341 WeakPolarHBondContact O-CA 3.05Å; V331-E342 PolarHBondContact N-O 3.29Å; V331-E342 PolarHBondContact O-N 3.27Å
332	S	90.4	Very high	89.5	Confident	53 Å²	53	54 Å²	54	37%	0.371	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129	176.6	57.9	0	0	0	0	112.2
333	R	89.6	Confident	89.6	Confident	146 Å²	146	52.7 Å²	52.7	55%	0.551	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.3	173.7	-50.3	-176.2	-150.8	-160.6	8.8	110.1	V331 H340 E342	V331-R333 HydrophobicContact CG1-CG 4.47Å; R333-H340 HydrophobicContact CB-CB 4.44Å; R333-H340 PolarHBondContact N-O 2.97Å; R333-H340 PolarHBondContact O-N 3.42Å; R333-E342 IonicContact CZ-OE2 2.73Å; R333-E342 IonicContact NH2-OE2 2.81Å; R333-E342 PolarHBondContact NH2-OE2 3.11Å
334	L	83.1	Confident	89.7	Confident	57 Å²	57	52.7 Å²	52.7	30%	0.298	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.6	-179.8	-170.8	75.3	0	0	0	111.2	L339 L396 V427 T428 T429	L334-L339 HydrophobicContact CD1-CB 4.24Å; L334-L396 HydrophobicContact CD1-CD1 3.75Å; L334-V427 HydrophobicContact CD1-CG1 4.11Å; L334-T428 WeakPolarHBondContact CD2-O 3.43Å; L334-T429 HydrophobicContact CD1-CG2 4.11Å; L334-T429 HydrophobicContact CD2-CG2 4.11Å
335	N	78.4	Confident	89.6	Confident	139 Å²	139	54.6 Å²	54.6	74%	0.743	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	92.9	174	-174	4.4	0	0	0	109.4	S337 S338	N335-S337 PolarHBondContact O-N 2.71Å; N335-S338 PolarHBondContact N-O 3.48Å; N335-S338 PolarHBondContact O-N 3.05Å; N335-S338 VanDerWaalsContact O-N 3.14Å
336	G	73.3	Confident	89.6	Confident	56 Å²	56	53.7 Å²	53.7	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	-118.1	-173.6	0	0	0	0	0	111.9
337	S	75.6	Confident	89.6	Confident	66 Å²	66	58.6 Å²	58.6	46%	0.462	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	8.7	178.5	61.9	0	0	0	0	114.4	N335 G395 L396	N335-S337 PolarHBondContact O-N 2.71Å; S337-G395 PolarHBondContact O-N 2.87Å; S337-G395 VanDerWaalsContact O-N 3.16Å; S337-L396 WeakPolarHBondContact CB-O 3.45Å; S337-L396 PolarHBondContact O-N 3.15Å
338	S	84.8	Confident	89.5	Confident	36 Å²	36	64.7 Å²	64.7	25%	0.252	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134	179.7	-60.6	0	0	0	0	111.7	N335 V393	N335-S338 PolarHBondContact N-O 3.48Å; N335-S338 PolarHBondContact O-N 3.05Å; N335-S338 VanDerWaalsContact O-N 3.14Å; S338-V393 CarbonylContact C-O 3.54Å; S338-V393 WeakPolarHBondContact CA-O 3.39Å
339	L	88.7	Confident	89.3	Confident	1 Å²	1	61 Å²	61	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.7	177.5	166.5	66.4	0	0	0	109.7	L334 L341 V392 V393 L396 F404 V427	L334-L339 HydrophobicContact CD1-CB 4.24Å; L339-L341 HydrophobicContact CD1-CD2 4.02Å; L339-L341 HydrophobicContact CD1-CG 4.35Å; L339-L341 HydrophobicContact CD2-CD1 4.17Å; L339-L341 HydrophobicContact CD2-CD2 4.01Å; L339-L341 HydrophobicContact CD2-CG 3.91Å; L339-L341 HydrophobicContact CG-CD2 4.14Å; L339-L341 HydrophobicContact CG-CG 3.98Å; L339-V392 CarbonylContact O-C 3.6Å; L339-V392 WeakPolarHBondContact O-CA 3.32Å; L339-V393 HydrophobicContact CB-CB 4.39Å; L339-V393 PolarHBondContact N-O 3.32Å; L339-V393 PolarHBondContact O-N 3Å; L339-L396 HydrophobicContact CB-CD1 3.52Å; L339-F404 HydrophobicContact CD2-CD2 3.89Å; L339-F404 HydrophobicContact CD2-CE2 3.31Å; L339-F404 HydrophobicContact CD2-CZ 3.83Å; L339-V427 HydrophobicContact CD1-CG1 4.12Å; L339-V427 HydrophobicContact CD1-CG2 3.98Å; L339-V427 HydrophobicContact CD2-CB 4.27Å; L339-V427 HydrophobicContact CD2-CG1 4.29Å; L339-V427 HydrophobicContact CD2-CG2 3.81Å
340	H	92.9	Very high	89.2	Confident	57 Å²	57	57.2 Å²	57.2	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.6	167.9	-174.2	71.9	0	0	0	109.1	R333 W390 V392	R333-H340 HydrophobicContact CB-CB 4.44Å; R333-H340 PolarHBondContact N-O 2.97Å; R333-H340 PolarHBondContact O-N 3.42Å; H340-W390 AromaticContact CE1-CE3 3.77Å; H340-V392 VanDerWaalsContact ND1-CG2 3.35Å; H340-V392 WeakPolarHBondContact ND1-CG2 3.32Å
341	L	94.5	Very high	89	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.1	173.2	-69.1	177.1	0	0	0	109.4	V331 L339 W343 L359 W390 V391 F404 V425	V331-L341 WeakPolarHBondContact O-CA 3.05Å; L339-L341 HydrophobicContact CD1-CD2 4.02Å; L339-L341 HydrophobicContact CD1-CG 4.35Å; L339-L341 HydrophobicContact CD2-CD1 4.17Å; L339-L341 HydrophobicContact CD2-CD2 4.01Å; L339-L341 HydrophobicContact CD2-CG 3.91Å; L339-L341 HydrophobicContact CG-CD2 4.14Å; L339-L341 HydrophobicContact CG-CG 3.98Å; L341-W343 HydrophobicContact CB-CE3 4.45Å; L341-W343 HydrophobicContact CB-CZ3 4.08Å; L341-L359 HydrophobicContact CD1-CD1 4.41Å; L341-L359 HydrophobicContact CD1-CD2 4Å; L341-W390 CarbonylContact O-C 3.56Å; L341-W390 WeakPolarHBondContact O-CA 3.49Å; L341-W390 WeakPolarHBondContact O-CB 3.5Å; L341-V391 HydrophobicContact CB-CG1 4.04Å; L341-V391 HydrophobicContact CD1-CG1 4.42Å; L341-V391 PolarHBondContact N-O 3.44Å; L341-V391 PolarHBondContact O-N 3.12Å; L341-F404 HydrophobicContact CD1-CB 3.89Å; L341-F404 HydrophobicContact CD1-CD1 4.25Å; L341-F404 HydrophobicContact CD1-CD2 4.08Å; L341-F404 HydrophobicContact CD1-CG 3.82Å; L341-V425 HydrophobicContact CD1-CG1 4.21Å; L341-V425 HydrophobicContact CD2-CG1 3.84Å; L341-V425 HydrophobicContact CD2-CG2 4.31Å
342	E	95.1	Very high	89	Confident	76 Å²	76	57.2 Å²	57.2	36%	0.355	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.8	179.2	-176.3	-179.7	-167.9	0	0	108.5	V330 V331 R333 P389 W390	V330-E342 CarbonylContact C-O 3.56Å; V330-E342 WeakPolarHBondContact CA-O 3.14Å; V331-E342 PolarHBondContact N-O 3.29Å; V331-E342 PolarHBondContact O-N 3.27Å; R333-E342 IonicContact CZ-OE2 2.73Å; R333-E342 IonicContact NH2-OE2 2.81Å; R333-E342 PolarHBondContact NH2-OE2 3.11Å; E342-P389 CarbonylContact C-O 3.52Å; E342-P389 WeakPolarHBondContact CA-O 3.45Å; E342-W390 HydrophobicContact CB-CB 4.39Å; E342-W390 HydrophobicContact CG-CB 4.45Å
343	W	95.4	Very high	89	Confident	11 Å²	11	64 Å²	64	4%	0.042	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	174.6	179.8	55.7	87.6	0	0	0	111.9	P327 V330 L341 Y357 L359 L386 P389 V391 V406	P327-W343 HydrophobicContact CB-CB 4.5Å; P327-W343 HydrophobicContact CB-CG 4.32Å; V330-W343 HydrophobicContact CB-CB 4.41Å; V330-W343 HydrophobicContact CG2-CB 3.88Å; L341-W343 HydrophobicContact CB-CE3 4.45Å; L341-W343 HydrophobicContact CB-CZ3 4.08Å; W343-Y357 AromaticContact CD1-CE1 3.95Å; W343-Y357 AromaticContact CE2-CG 3.99Å; W343-Y357 HydrophobicContact CZ2-CD2 4.41Å; W343-Y357 HydrophobicContact CZ2-CG 4.04Å; W343-Y357 AromaticContact NE1-CD1 3.26Å; W343-Y357 VanDerWaalsContact NE1-CD1 3.26Å; W343-Y357 AromaticContact NE1-CD2 3.7Å; W343-Y357 AromaticContact NE1-CE1 3.53Å; W343-Y357 AromaticContact NE1-CE2 3.97Å; W343-Y357 AromaticContact NE1-CG 3.36Å; W343-Y357 AromaticContact NE1-CZ 3.9Å; W343-L359 HydrophobicContact CH2-CD1 3.92Å; W343-L359 HydrophobicContact CZ3-CD1 3.88Å; W343-L386 HydrophobicContact CH2-CD1 4.05Å; W343-L386 HydrophobicContact CZ2-CD1 4.26Å; W343-P389 HydrophobicContact CG-CB 4.27Å; W343-P389 PolarHBondContact N-O 2.98Å; W343-P389 WeakPolarHBondContact O-CB 3.3Å; W343-V391 HydrophobicContact CH2-CB 4.36Å; W343-V391 HydrophobicContact CH2-CG1 3.99Å; W343-V391 HydrophobicContact CZ3-CG1 3.92Å; W343-V406 HydrophobicContact CD2-CG1 3.66Å; W343-V406 HydrophobicContact CE3-CG1 3.93Å; W343-V406 HydrophobicContact CE3-CG2 4.31Å; W343-V406 HydrophobicContact CG-CG1 4.15Å; W343-V406 HydrophobicContact CH2-CG1 4.24Å; W343-V406 HydrophobicContact CZ2-CG1 3.98Å; W343-V406 HydrophobicContact CZ3-CG1 4.2Å
344	S	94.7	Very high	89.1	Confident	40 Å²	40	60 Å²	60	28%	0.28	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	157	175.1	65.2	0	0	0	0	111.3	R328	R328-S344 VanDerWaalsContact CB-OG 3.31Å; R328-S344 WeakPolarHBondContact CB-OG 3.34Å; R328-S344 PolarHBondContact N-O 2.85Å; R328-S344 WeakPolarHBondContact O-CA 3.45Å; R328-S344 PolarHBondContact O-N 3.5Å; R328-S344 PolarHBondContact O-OG 3.37Å
345	A	92.6	Very high	89.6	Confident	47 Å²	47	58.9 Å²	58.9	39%	0.388	35%	0.349	S	S	.	.			trans	-56.3	149.6	-178.6	0	0	0	0	0	112.6	R328	R328-A345 PolarHBondContact NE-O 3.28Å; R328-A345 PolarHBondContact NH2-O 3.25Å
346	P	94.6	Very high	90.4	Very high	10 Å²	10	54 Å²	54	7%	0.065	33%	0.325	C	S	.	.			trans	-58	155.7	177.6	26.1	-35.7	0	0	0	112	P324 S325 A326 E348 L355 A408	P324-P346 HydrophobicContact CB-CG 4.15Å; S325-P346 VanDerWaalsContact O-CB 3.22Å; S325-P346 WeakPolarHBondContact O-CB 3.49Å; S325-P346 WeakPolarHBondContact OG-CB 3.17Å; A326-P346 WeakPolarHBondContact O-CA 3.41Å; A326-P346 WeakPolarHBondContact O-CB 3.37Å; P346-E348 VanDerWaalsContact C-N 3.33Å; P346-L355 HydrophobicContact CG-CD1 4.05Å; P346-L355 HydrophobicContact CG-CD2 4.21Å; P346-A408 HydrophobicContact CB-CB 4.44Å; P346-A408 HydrophobicContact CG-CB 4.09Å
347	L	92.4	Very high	91.4	Very high	125 Å²	125	52 Å²	52	65%	0.654	30%	0.3	S	S	*	.	S	Bend	trans	-65	-41.4	176.6	-176.4	64.5	0	0	0	111.1	S325	S325-L347 PolarHBondContact OG-N 3.02Å; S325-L347 VanDerWaalsContact OG-N 3.11Å
348	E	92.2	Very high	92.3	Very high	131 Å²	131	49.5 Å²	49.5	61%	0.612	28%	0.283	S	S	*	.			trans	-117.8	115.9	176.2	-61.8	-174.7	150.6	0	0	109	P324 S325 P346 G350	P324-E348 CarbonylContact C-O 3.45Å; P324-E348 WeakPolarHBondContact CA-O 3.49Å; P324-E348 WeakPolarHBondContact CB-O 3.36Å; S325-E348 PolarHBondContact N-O 3.14Å; S325-E348 PolarHBondContact OG-N 2.72Å; P346-E348 VanDerWaalsContact C-N 3.33Å; E348-G350 PolarHBondContact O-N 2.88Å
349	S	90.8	Very high	92.7	Very high	39 Å²	39	48.6 Å²	48.6	27%	0.273	28%	0.275	S	S	.	.			trans	-78.5	-5.2	173.5	67.5	0	0	0	0	113.3	G351 R352 N410	S349-G351 VanDerWaalsContact C-N 3.27Å; S349-G351 PolarHBondContact OG-N 3.47Å; S349-R352 VanDerWaalsContact CB-O 3.24Å; S349-R352 WeakPolarHBondContact CB-O 3.31Å; S349-R352 PolarHBondContact OG-O 2.03Å; S349-R352 VanDerWaalsContact OG-O 3.05Å; S349-N410 PolarHBondContact O-ND2 3.1Å; S349-N410 VanDerWaalsContact O-ND2 3.14Å
350	G	89	Confident	92.9	Very high	12 Å²	12	54.6 Å²	54.6	12%	0.124	30%	0.298	C	S	.	.			trans	73.5	17	-170.8	0	0	0	0	0	114.1	T321 T322 E348	T321-G350 WeakPolarHBondContact CB-O 3.42Å; T322-G350 PolarHBondContact N-O 3.21Å; T322-G350 VanDerWaalsContact N-O 3.17Å; T322-G350 WeakPolarHBondContact O-CA 3.12Å; T322-G350 VanDerWaalsContact OG1-CA 3.27Å; T322-G350 WeakPolarHBondContact OG1-CA 3.46Å; E348-G350 PolarHBondContact O-N 2.88Å
351	G	89.2	Confident	92.8	Very high	67 Å²	67	52.5 Å²	52.5	69%	0.691	29%	0.29	S	S	*	.	S	Bend	trans	82.3	22	179.2	0	0	0	0	0	113.9	S349	S349-G351 VanDerWaalsContact C-N 3.27Å; S349-G351 PolarHBondContact OG-N 3.47Å
352	R	91.5	Very high	92.5	Very high	32 Å²	32	56.4 Å²	56.4	12%	0.121	30%	0.304	C	S	.	.			trans	-127.1	159.6	178.4	-50.4	-177.1	70.8	90.6	0.2	111.6	D314 T321 S349 D354	D314-R352 IonicContact OD1-CZ 2.85Å; D314-R352 IonicContact OD1-NH1 3.84Å; D314-R352 PolarHBondContact OD1-NH1 2.85Å; D314-R352 IonicContact OD1-NH2 3.19Å; D314-R352 PolarHBondContact OD1-NH2 3.12Å; D314-R352 IonicContact OD2-CZ 3.59Å; D314-R352 IonicContact OD2-NH1 3.9Å; D314-R352 PolarHBondContact OD2-NH1 3.28Å; D314-R352 IonicContact OD2-NH2 3.32Å; T321-R352 HydrophobicContact CG2-CG 3.71Å; T321-R352 WeakPolarHBondContact OG1-CD 3.3Å; T321-R352 PolarHBondContact OG1-NH1 3.05Å; S349-R352 VanDerWaalsContact CB-O 3.24Å; S349-R352 WeakPolarHBondContact CB-O 3.31Å; S349-R352 PolarHBondContact OG-O 2.03Å; S349-R352 VanDerWaalsContact OG-O 3.05Å; R352-D354 WeakPolarHBondContact CB-OD1 3.35Å; R352-D354 WeakPolarHBondContact CD-OD1 3.3Å; R352-D354 IonicContact CZ-OD1 3.38Å; R352-D354 IonicContact CZ-OD2 3.45Å; R352-D354 IonicContact NE-OD1 2.85Å; R352-D354 PolarHBondContact NE-OD1 2.87Å; R352-D354 IonicContact NE-OD2 2.67Å; R352-D354 PolarHBondContact NE-OD2 2.99Å; R352-D354 IonicContact NH2-OD2 3.08Å; R352-D354 PolarHBondContact NH2-OD2 3.23Å
353	E	90.1	Very high	92.1	Very high	196 Å²	196	54.3 Å²	54.3	92%	0.916	29%	0.294	S	S	*	.	S	Bend	trans	-111.9	-6.6	178.2	-62.4	179.2	176.6	0	0	112.3	L355	E353-L355 PolarHBondContact O-N 3.22Å
354	D	92.8	Very high	91.5	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	30%	0.298	S	S	.	.			trans	-79.8	44.3	177.5	62.9	-11.6	0	0	0	112.2	R352 G411	R352-D354 WeakPolarHBondContact CB-OD1 3.35Å; R352-D354 WeakPolarHBondContact CD-OD1 3.3Å; R352-D354 IonicContact CZ-OD1 3.38Å; R352-D354 IonicContact CZ-OD2 3.45Å; R352-D354 IonicContact NE-OD1 2.85Å; R352-D354 PolarHBondContact NE-OD1 2.87Å; R352-D354 IonicContact NE-OD2 2.67Å; R352-D354 PolarHBondContact NE-OD2 2.99Å; R352-D354 IonicContact NH2-OD2 3.08Å; R352-D354 PolarHBondContact NH2-OD2 3.23Å; D354-G411 WeakPolarHBondContact OD2-CA 3.37Å; D354-G411 PolarHBondContact OD2-N 2.83Å
355	L	93.4	Very high	90.6	Very high	33 Å²	33	61.4 Å²	61.4	17%	0.173	32%	0.318	C	S	.	.			trans	-72.9	132.7	180	-72	171.5	0	0	0	110.9	P324 P346 E353 L409 N410	P324-L355 HydrophobicContact CB-CD2 3.8Å; P324-L355 HydrophobicContact CG-CD2 3.99Å; P346-L355 HydrophobicContact CG-CD1 4.05Å; P346-L355 HydrophobicContact CG-CD2 4.21Å; E353-L355 PolarHBondContact O-N 3.22Å; L355-L409 CarbonylContact C-O 3.59Å; L355-L409 WeakPolarHBondContact CA-O 3.4Å; L355-N410 HydrophobicContact CD2-CB 4.32Å
356	T	94.9	Very high	89.2	Confident	37 Å²	37	65.5 Å²	65.5	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.5	170.9	52.2	0	0	0	0	109.2	L386 A408 L409	T356-L386 CarbonylContact C-O 3.39Å; T356-L386 WeakPolarHBondContact CA-O 3.33Å; T356-A408 CarbonylContact O-C 3.54Å; T356-L409 PolarHBondContact N-O 3.17Å; T356-L409 PolarHBondContact O-N 3.18Å; T356-L409 PolarHBondContact OG1-O 2.97Å
357	Y	95	Very high	87.7	Confident	13 Å²	13	69.3 Å²	69.3	5%	0.051	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.7	179.4	-52	-84.9	0	0	0	110.7	P327 W343 D385 L386 P389 T407 A408	P327-Y357 HydrophobicContact CG-CD1 4.13Å; P327-Y357 HydrophobicContact CG-CE1 4.3Å; W343-Y357 AromaticContact CD1-CE1 3.95Å; W343-Y357 AromaticContact CE2-CG 3.99Å; W343-Y357 HydrophobicContact CZ2-CD2 4.41Å; W343-Y357 HydrophobicContact CZ2-CG 4.04Å; W343-Y357 AromaticContact NE1-CD1 3.26Å; W343-Y357 VanDerWaalsContact NE1-CD1 3.26Å; W343-Y357 AromaticContact NE1-CD2 3.7Å; W343-Y357 AromaticContact NE1-CE1 3.53Å; W343-Y357 AromaticContact NE1-CE2 3.97Å; W343-Y357 AromaticContact NE1-CG 3.36Å; W343-Y357 AromaticContact NE1-CZ 3.9Å; Y357-D385 PolarHBondContact O-N 2.84Å; Y357-L386 WeakPolarHBondContact CD2-O 3.46Å; Y357-L386 PolarHBondContact N-O 2.95Å; Y357-L386 WeakPolarHBondContact O-CB 3.38Å; Y357-L386 PolarHBondContact O-N 3.12Å; Y357-P389 HydrophobicContact CE2-CB 4.33Å; Y357-T407 VanDerWaalsContact CA-O 3.22Å; Y357-T407 WeakPolarHBondContact CA-O 3.37Å; Y357-A408 HydrophobicContact CD1-CB 3.95Å; Y357-A408 HydrophobicContact CE1-CB 3.89Å
358	A	94.4	Very high	86.5	Confident	14 Å²	14	66.4 Å²	66.4	12%	0.116	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	144.8	172.5	0	0	0	0	0	110.1	P383 R384 T407 L409	A358-P383 WeakPolarHBondContact CA-O 3.45Å; A358-R384 HydrophobicContact CB-CG 4.47Å; A358-T407 PolarHBondContact N-O 2.79Å; A358-T407 PolarHBondContact O-N 2.73Å; A358-T407 PolarHBondContact O-OG1 2.82Å; A358-L409 HydrophobicContact CB-CD1 4.27Å
359	L	92.9	Very high	85.5	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.089	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.4	-175.9	-141.3	91.5	0	0	0	110	L341 W343 F379 P383 V391 F404 E405 V406	L341-L359 HydrophobicContact CD1-CD1 4.41Å; L341-L359 HydrophobicContact CD1-CD2 4Å; W343-L359 HydrophobicContact CH2-CD1 3.92Å; W343-L359 HydrophobicContact CZ3-CD1 3.88Å; L359-F379 HydrophobicContact CD2-CD1 4.36Å; L359-F379 HydrophobicContact CD2-CE1 3.98Å; L359-P383 HydrophobicContact CB-CB 4.34Å; L359-P383 PolarHBondContact N-O 3.09Å; L359-V391 HydrophobicContact CD1-CG1 4.12Å; L359-V391 HydrophobicContact CD2-CG1 3.96Å; L359-F404 HydrophobicContact CD2-CB 4.22Å; L359-F404 HydrophobicContact CD2-CD1 3.55Å; L359-F404 HydrophobicContact CD2-CE1 4.31Å; L359-F404 HydrophobicContact CD2-CG 4.23Å; L359-F404 HydrophobicContact CG-CB 4.49Å; L359-E405 WeakPolarHBondContact CA-O 3.48Å; L359-V406 HydrophobicContact CD1-CB 4.25Å; L359-V406 HydrophobicContact CD1-CG1 4.08Å; L359-V406 HydrophobicContact CD1-CG2 3.7Å
360	R	92	Very high	85.1	Confident	127 Å²	127	65.9 Å²	65.9	48%	0.479	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.5	171	-171.9	169.2	73.2	169.2	-2.7	110.4	F404 E405	R360-F404 CarbonylContact O-C 3.54Å; R360-F404 WeakPolarHBondContact O-CA 3.4Å; R360-E405 HydrophobicContact CB-CB 4.31Å; R360-E405 IonicContact CZ-OE1 2.66Å; R360-E405 IonicContact CZ-OE2 2.81Å; R360-E405 PolarHBondContact N-O 3.2Å; R360-E405 IonicContact NE-OE1 3.68Å; R360-E405 IonicContact NE-OE2 2.67Å; R360-E405 PolarHBondContact NE-OE2 2.84Å; R360-E405 VanDerWaalsContact NH2-CD 3.34Å; R360-E405 IonicContact NH2-OE1 2.65Å; R360-E405 PolarHBondContact NH2-OE1 3.16Å; R360-E405 VanDerWaalsContact NH2-OE1 3.17Å; R360-E405 IonicContact NH2-OE2 3.16Å; R360-E405 PolarHBondContact NH2-OE2 2.84Å; R360-E405 PolarHBondContact O-N 3.47Å
361	C	90.6	Very high	84.9	Confident	13 Å²	13	67.8 Å²	67.8	9%	0.088	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136	-178.5	-175.4	0	0	0	0	111.4	C373 F379 F404	C361-C373 HydrophobicContact CB-CB 3.66Å; C361-C373 WeakPolarHBondContact CB-SG 3.5Å; C361-C373 PolarHBondContact O-N 3.45Å; C361-C373 PolarHBondContact O-SG 3.43Å; C361-C373 WeakPolarHBondContact SG-CB 3.47Å; C361-C373 CovalentContact SG-SG 2.02Å; C361-C373 PolarHBondContact SG-SG 2.96Å; C361-F379 HydrophobicContact CB-CZ 4.12Å; C361-F404 HydrophobicContact CB-CD1 3.84Å; C361-F404 HydrophobicContact CB-CE1 3.8Å; C361-F404 WeakPolarHBondContact SG-CE1 3.42Å
362	R	89.5	Confident	84.7	Confident	82 Å²	82	69.8 Å²	69.8	31%	0.309	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.7	170.8	-61	179.2	179.5	-116.9	5	111.2	C370 A371 C373 Y402 T403 E405	R362-C370 HydrophobicContact CB-CB 4.2Å; R362-A371 CarbonylContact C-O 3.55Å; R362-A371 WeakPolarHBondContact CA-O 3.08Å; R362-C373 VanDerWaalsContact CA-SG 3.6Å; R362-C373 PolarHBondContact N-SG 3.13Å; R362-Y402 CarbonylContact O-C 3.58Å; R362-Y402 WeakPolarHBondContact O-CA 3.49Å; R362-T403 PolarHBondContact N-O 3.31Å; R362-T403 PolarHBondContact O-N 3.34Å; R362-E405 IonicContact CZ-OE1 2.64Å; R362-E405 IonicContact NE-OE1 3.69Å; R362-E405 PolarHBondContact NE-OE1 2.9Å; R362-E405 IonicContact NH2-OE1 3.62Å
363	E	87	Confident	84.4	Confident	32 Å²	32	69.6 Å²	69.6	15%	0.15	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	173.4	-84.4	171.7	-143.7	0	0	109.8	C370 A371 C373 G374 R397 F400 Y402	E363-C370 CarbonylContact O-C 3.56Å; E363-C370 WeakPolarHBondContact O-CA 3.42Å; E363-A371 PolarHBondContact N-O 3.15Å; E363-A371 PolarHBondContact O-N 3.3Å; E363-C373 HydrophobicContact CG-CB 4.25Å; E363-C373 WeakPolarHBondContact OE1-CA 3.04Å; E363-G374 PolarHBondContact OE1-N 2.89Å; E363-G374 VanDerWaalsContact OE1-N 3.13Å; E363-R397 IonicContact OE2-CZ 2.68Å; E363-R397 IonicContact OE2-NH1 2.64Å; E363-R397 IonicContact OE2-NH2 2.83Å; E363-R397 PolarHBondContact OE2-NH2 3.26Å; E363-F400 HydrophobicContact CB-CE1 4.1Å; E363-F400 HydrophobicContact CG-CE1 4.25Å; E363-Y402 HydrophobicContact CG-CD1 3.62Å; E363-Y402 HydrophobicContact CG-CE1 3.3Å
364	C	82	Confident	83.4	Confident	17 Å²	17	62 Å²	62	12%	0.115	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.9	-176.5	-61.7	0	0	0	0	110.7	C370 T401 T403	C364-C370 HydrophobicContact CB-CB 4.17Å; C364-C370 WeakPolarHBondContact CB-SG 3.31Å; C364-C370 WeakPolarHBondContact SG-CB 3.32Å; C364-C370 CovalentContact SG-SG 2.04Å; C364-C370 PolarHBondContact SG-SG 2.79Å; C364-T401 PolarHBondContact N-O 3.45Å; C364-T403 PolarHBondContact SG-OG1 2.77Å
365	R	75	Confident	82.2	Confident	183 Å²	183	63 Å²	63	69%	0.691	41%	0.409	S	S	*	.			trans	-84.8	148.1	172.5	-68.8	-175.8	-177.6	172.4	1.3	111.4	G367 G368 F400	R365-G367 PolarHBondContact O-N 3.22Å; R365-G368 PolarHBondContact O-N 3.42Å; R365-F400 HydrophobicContact CG-CZ 3.96Å
366	P	63.3	Low	81.1	Confident	132 Å²	132	68 Å²	68	86%	0.857	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	112.2	171	-15.2	27.9	0	0	0	109.4
367	G	63.9	Low	80.5	Confident	91 Å²	91	67 Å²	67	94%	0.938	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	5.4	177	0	0	0	0	0	117.7	R365	R365-G367 PolarHBondContact O-N 3.22Å
368	G	66.4	Low	80.2	Confident	64 Å²	64	70.1 Å²	70.1	66%	0.66	45%	0.45	S	S	*	.	S	Bend	trans	114.2	89.9	153.4	0	0	0	0	0	117.5	R365	R365-G368 PolarHBondContact O-N 3.42Å
369	S	72.8	Confident	79.9	Confident	96 Å²	96	72 Å²	72	67%	0.671	46%	0.456	S	S	*	.			trans	171.8	131.5	137.8	43.4	0	0	0	0	107
370	C	80.4	Confident	79.7	Confident	62 Å²	62	74.7 Å²	74.7	42%	0.419	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.6	178.9	-57.8	0	0	0	0	109.9	R362 E363 C364	R362-C370 HydrophobicContact CB-CB 4.2Å; E363-C370 CarbonylContact O-C 3.56Å; E363-C370 WeakPolarHBondContact O-CA 3.42Å; C364-C370 HydrophobicContact CB-CB 4.17Å; C364-C370 WeakPolarHBondContact CB-SG 3.31Å; C364-C370 WeakPolarHBondContact SG-CB 3.32Å; C364-C370 CovalentContact SG-SG 2.04Å; C364-C370 PolarHBondContact SG-SG 2.79Å
371	A	84.9	Confident	79.6	Confident	52 Å²	52	70.9 Å²	70.9	43%	0.43	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	154.9	176.8	0	0	0	0	0	110.3	R362 E363	R362-A371 CarbonylContact C-O 3.55Å; R362-A371 WeakPolarHBondContact CA-O 3.08Å; E363-A371 PolarHBondContact N-O 3.15Å; E363-A371 PolarHBondContact O-N 3.3Å
372	P	86.5	Confident	79.5	Confident	109 Å²	109	72 Å²	72	71%	0.708	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	140.6	169.1	24.8	-32.4	0	0	0	110.2
373	C	84.6	Confident	79.5	Confident	28 Å²	28	70.3 Å²	70.3	19%	0.189	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-61.6	146.5	-178.6	-57.5	0	0	0	0	112.1	C361 R362 E363 L377	C361-C373 HydrophobicContact CB-CB 3.66Å; C361-C373 WeakPolarHBondContact CB-SG 3.5Å; C361-C373 PolarHBondContact O-N 3.45Å; C361-C373 PolarHBondContact O-SG 3.43Å; C361-C373 WeakPolarHBondContact SG-CB 3.47Å; C361-C373 CovalentContact SG-SG 2.02Å; C361-C373 PolarHBondContact SG-SG 2.96Å; R362-C373 VanDerWaalsContact CA-SG 3.6Å; R362-C373 PolarHBondContact N-SG 3.13Å; E363-C373 HydrophobicContact CG-CB 4.25Å; E363-C373 WeakPolarHBondContact OE1-CA 3.04Å; C373-L377 HydrophobicContact CB-CD1 3.7Å
374	G	69.6	Low	79.7	Confident	38 Å²	38	77.9 Å²	77.9	39%	0.392	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-71.7	169.7	178.1	0	0	0	0	0	113.9	E363 D376	E363-G374 PolarHBondContact OE1-N 2.89Å; E363-G374 VanDerWaalsContact OE1-N 3.13Å; G374-D376 PolarHBondContact O-N 2.97Å; G374-D376 VanDerWaalsContact O-N 3.12Å
375	G	66.3	Low	80.1	Confident	82 Å²	82	83 Å²	83	85%	0.845	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	1.8	-180	0	0	0	0	0	115.7	L377	G375-L377 VanDerWaalsContact C-N 3.29Å
376	D	70.2	Confident	80.9	Confident	139 Å²	139	74.5 Å²	74.5	74%	0.743	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.5	-178.4	-56.6	-34.3	0	0	0	112.7	G374	G374-D376 PolarHBondContact O-N 2.97Å; G374-D376 VanDerWaalsContact O-N 3.12Å
377	L	84.1	Confident	82.3	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.079	49%	0.486	C	S	.	.			trans	-88.5	131.2	176	-62.1	-177.4	0	0	0	111.5	C373 G375 F379 V393 R394 G395 L396 Y402	C373-L377 HydrophobicContact CB-CD1 3.7Å; G375-L377 VanDerWaalsContact C-N 3.29Å; L377-F379 HydrophobicContact CB-CE2 4.01Å; L377-F379 HydrophobicContact CB-CZ 4.39Å; L377-V393 HydrophobicContact CB-CG1 4.42Å; L377-V393 HydrophobicContact CD1-CG1 4.37Å; L377-R394 WeakPolarHBondContact CA-O 3.34Å; L377-G395 WeakPolarHBondContact CD2-O 3.47Å; L377-L396 HydrophobicContact CD2-CD2 3.93Å; L377-Y402 HydrophobicContact CD1-CD1 4.34Å; L377-Y402 HydrophobicContact CD1-CE1 4Å
378	T	86.9	Confident	83.6	Confident	80 Å²	80	74.1 Å²	74.1	49%	0.491	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.3	174.2	59.8	0	0	0	0	110.5	V393 R394	T378-V393 WeakPolarHBondContact O-CA 3.49Å; T378-R394 PolarHBondContact N-O 3.1Å; T378-R394 PolarHBondContact O-N 3.02Å; T378-R394 WeakPolarHBondContact OG1-CB 3.35Å
379	F	90	Very high	84.9	Confident	53 Å²	53	73 Å²	73	23%	0.232	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	131.2	177	-62.1	-96.1	0	0	0	109.9	L359 C361 L377 P381 P383 V391 V392 V393 F404	L359-F379 HydrophobicContact CD2-CD1 4.36Å; L359-F379 HydrophobicContact CD2-CE1 3.98Å; C361-F379 HydrophobicContact CB-CZ 4.12Å; L377-F379 HydrophobicContact CB-CE2 4.01Å; L377-F379 HydrophobicContact CB-CZ 4.39Å; F379-P381 CarbonylContact C-O 3.59Å; F379-P381 VanDerWaalsContact C-O 3.25Å; F379-P383 HydrophobicContact CB-CB 4.39Å; F379-P383 HydrophobicContact CD1-CB 4.02Å; F379-P383 HydrophobicContact CD2-CB 4.35Å; F379-P383 HydrophobicContact CD2-CG 4.28Å; F379-P383 HydrophobicContact CE1-CB 4.43Å; F379-P383 HydrophobicContact CG-CB 3.99Å; F379-P383 HydrophobicContact CG-CG 4.28Å; F379-V391 HydrophobicContact CB-CG2 4.37Å; F379-V391 HydrophobicContact CD1-CG2 4.37Å; F379-V392 WeakPolarHBondContact CA-O 3.43Å; F379-V393 HydrophobicContact CD1-CG1 4.35Å; F379-V393 HydrophobicContact CD1-CG2 3.76Å; F379-V393 HydrophobicContact CE1-CG1 4Å; F379-V393 HydrophobicContact CE1-CG2 3.74Å; F379-V393 HydrophobicContact CZ-CG1 4.28Å; F379-F404 HydrophobicContact CE1-CE1 4.16Å; F379-F404 HydrophobicContact CZ-CE1 4.5Å
380	D	87.7	Confident	85.9	Confident	73 Å²	73	72.8 Å²	72.8	39%	0.39	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	106.1	-177.6	-177	18.8	0	0	0	109.9	V392 R394	D380-V392 PolarHBondContact N-O 3.02Å; D380-V392 WeakPolarHBondContact O-CB 3.41Å; D380-V392 PolarHBondContact O-N 3.17Å; D380-R394 IonicContact OD2-CZ 2.73Å; D380-R394 IonicContact OD2-NH1 3.52Å; D380-R394 PolarHBondContact OD2-NH1 3.16Å; D380-R394 IonicContact OD2-NH2 3.56Å; D380-R394 PolarHBondContact OD2-NH2 3.42Å; D380-R394 VanDerWaalsContact OD2-NH2 3.08Å
381	P	89.2	Confident	86.6	Confident	48 Å²	48	69.9 Å²	69.9	31%	0.312	41%	0.412	S	S	.	.	S	Bend	cis	-67.1	173.1	-7.6	25.5	-30.9	0	0	0	113.8	F379 L386 V391	F379-P381 CarbonylContact C-O 3.59Å; F379-P381 VanDerWaalsContact C-O 3.25Å; P381-L386 HydrophobicContact CB-CD2 4.05Å; P381-L386 HydrophobicContact CG-CD2 3.55Å; P381-V391 VanDerWaalsContact O-CG2 3.23Å; P381-V391 WeakPolarHBondContact O-CG2 3.46Å
382	G	89	Confident	86.9	Confident	37 Å²	37	68.5 Å²	68.5	38%	0.381	40%	0.399	S	S	.	.			trans	-58	159.1	-174.8	0	0	0	0	0	114.6	R384 L386	G382-R384 PolarHBondContact O-N 3.46Å; G382-L386 WeakPolarHBondContact O-CD2 3.35Å; G382-L386 WeakPolarHBondContact O-CG 3.14Å
383	P	89	Confident	87.2	Confident	46 Å²	46	63.3 Å²	63.3	30%	0.299	37%	0.365	S	S	.	.	S	Bend	trans	-78.5	7.8	-165.1	33	-36.8	0	0	0	115.5	A358 L359 F379	A358-P383 WeakPolarHBondContact CA-O 3.45Å; L359-P383 HydrophobicContact CB-CB 4.34Å; L359-P383 PolarHBondContact N-O 3.09Å; F379-P383 HydrophobicContact CB-CB 4.39Å; F379-P383 HydrophobicContact CD1-CB 4.02Å; F379-P383 HydrophobicContact CD2-CB 4.35Å; F379-P383 HydrophobicContact CD2-CG 4.28Å; F379-P383 HydrophobicContact CE1-CB 4.43Å; F379-P383 HydrophobicContact CG-CB 3.99Å; F379-P383 HydrophobicContact CG-CG 4.28Å
384	R	91.5	Very high	87.3	Confident	191 Å²	191	66.9 Å²	66.9	72%	0.721	37%	0.374	S	S	*	.	S	Bend	trans	-138.1	157.6	-177.7	-67.4	179.9	178.9	-111.2	0.8	109.5	A358 G382 L386	A358-R384 HydrophobicContact CB-CG 4.47Å; G382-R384 PolarHBondContact O-N 3.46Å; R384-L386 PolarHBondContact O-N 2.87Å; R384-L386 VanDerWaalsContact O-N 3.16Å
385	D	90.6	Very high	87.8	Confident	123 Å²	123	66.8 Å²	66.8	66%	0.658	37%	0.374	S	S	*	.	S	Bend	trans	54.4	32.3	177.8	-51	-45.7	0	0	0	112.7	Y357 V387	Y357-D385 PolarHBondContact O-N 2.84Å; D385-V387 PolarHBondContact O-N 3.32Å
386	L	92.5	Very high	88.6	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-69.7	121	178.3	-69.6	165.8	0	0	0	108.8	W343 T356 Y357 P381 G382 R384	W343-L386 HydrophobicContact CH2-CD1 4.05Å; W343-L386 HydrophobicContact CZ2-CD1 4.26Å; T356-L386 CarbonylContact C-O 3.39Å; T356-L386 WeakPolarHBondContact CA-O 3.33Å; Y357-L386 WeakPolarHBondContact CD2-O 3.46Å; Y357-L386 PolarHBondContact N-O 2.95Å; Y357-L386 WeakPolarHBondContact O-CB 3.38Å; Y357-L386 PolarHBondContact O-N 3.12Å; P381-L386 HydrophobicContact CB-CD2 4.05Å; P381-L386 HydrophobicContact CG-CD2 3.55Å; G382-L386 WeakPolarHBondContact O-CD2 3.35Å; G382-L386 WeakPolarHBondContact O-CG 3.14Å; R384-L386 PolarHBondContact O-N 2.87Å; R384-L386 VanDerWaalsContact O-N 3.16Å
387	V	91.3	Very high	89	Confident	103 Å²	103	61.5 Å²	61.5	62%	0.624	32%	0.318	S	S	*	.			trans	-86.6	-42.1	174.4	-179.3	0	0	0	0	110.2	D385	D385-V387 PolarHBondContact O-N 3.32Å
388	E	92.6	Very high	88.4	Confident	111 Å²	111	65.5 Å²	65.5	52%	0.519	35%	0.345	S	S	.	.	S	Bend	trans	-79.2	143.2	177.6	-62.7	-60.2	152.4	0	0	111.2	W390	E388-W390 PolarHBondContact O-N 2.83Å
389	P	93.3	Very high	87.8	Confident	40 Å²	40	67 Å²	67	26%	0.26	35%	0.35	S	S	.	.	S	Bend	trans	-86	42.5	-173.6	38.6	-39.1	0	0	0	112.4	E342 W343 Y357	E342-P389 CarbonylContact C-O 3.52Å; E342-P389 WeakPolarHBondContact CA-O 3.45Å; W343-P389 HydrophobicContact CG-CB 4.27Å; W343-P389 PolarHBondContact N-O 2.98Å; W343-P389 WeakPolarHBondContact O-CB 3.3Å; Y357-P389 HydrophobicContact CE2-CB 4.33Å
390	W	94.1	Very high	87.3	Confident	93 Å²	93	66.5 Å²	66.5	35%	0.352	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	156.8	178.4	66.7	-92.1	0	0	0	112	H340 L341 E342 E388 V392	H340-W390 AromaticContact CE1-CE3 3.77Å; L341-W390 CarbonylContact O-C 3.56Å; L341-W390 WeakPolarHBondContact O-CA 3.49Å; L341-W390 WeakPolarHBondContact O-CB 3.5Å; E342-W390 HydrophobicContact CB-CB 4.39Å; E342-W390 HydrophobicContact CG-CB 4.45Å; E388-W390 PolarHBondContact O-N 2.83Å; W390-V392 HydrophobicContact CE3-CG2 4.36Å; W390-V392 HydrophobicContact CZ3-CG2 4.06Å
391	V	94.6	Very high	87.1	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	145.2	173.3	65.1	0	0	0	0	111.4	L341 W343 L359 F379 P381	L341-V391 HydrophobicContact CB-CG1 4.04Å; L341-V391 HydrophobicContact CD1-CG1 4.42Å; L341-V391 PolarHBondContact N-O 3.44Å; L341-V391 PolarHBondContact O-N 3.12Å; W343-V391 HydrophobicContact CH2-CB 4.36Å; W343-V391 HydrophobicContact CH2-CG1 3.99Å; W343-V391 HydrophobicContact CZ3-CG1 3.92Å; L359-V391 HydrophobicContact CD1-CG1 4.12Å; L359-V391 HydrophobicContact CD2-CG1 3.96Å; F379-V391 HydrophobicContact CB-CG2 4.37Å; F379-V391 HydrophobicContact CD1-CG2 4.37Å; P381-V391 VanDerWaalsContact O-CG2 3.23Å; P381-V391 WeakPolarHBondContact O-CG2 3.46Å
392	V	91.8	Very high	87.1	Confident	24 Å²	24	62.8 Å²	62.8	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.8	170.9	179.1	0	0	0	0	109.7	L339 H340 F379 D380 W390 R394	L339-V392 CarbonylContact O-C 3.6Å; L339-V392 WeakPolarHBondContact O-CA 3.32Å; H340-V392 VanDerWaalsContact ND1-CG2 3.35Å; H340-V392 WeakPolarHBondContact ND1-CG2 3.32Å; F379-V392 WeakPolarHBondContact CA-O 3.43Å; D380-V392 PolarHBondContact N-O 3.02Å; D380-V392 WeakPolarHBondContact O-CB 3.41Å; D380-V392 PolarHBondContact O-N 3.17Å; W390-V392 HydrophobicContact CE3-CG2 4.36Å; W390-V392 HydrophobicContact CZ3-CG2 4.06Å; V392-R394 HydrophobicContact CG1-CG 3.94Å
393	V	91.4	Very high	87.2	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.4	176	-170.3	0	0	0	0	108.4	S338 L339 L377 T378 F379 L396 F404	S338-V393 CarbonylContact C-O 3.54Å; S338-V393 WeakPolarHBondContact CA-O 3.39Å; L339-V393 HydrophobicContact CB-CB 4.39Å; L339-V393 PolarHBondContact N-O 3.32Å; L339-V393 PolarHBondContact O-N 3Å; L377-V393 HydrophobicContact CB-CG1 4.42Å; L377-V393 HydrophobicContact CD1-CG1 4.37Å; T378-V393 WeakPolarHBondContact O-CA 3.49Å; F379-V393 HydrophobicContact CD1-CG1 4.35Å; F379-V393 HydrophobicContact CD1-CG2 3.76Å; F379-V393 HydrophobicContact CE1-CG1 4Å; F379-V393 HydrophobicContact CE1-CG2 3.74Å; F379-V393 HydrophobicContact CZ-CG1 4.28Å; V393-L396 HydrophobicContact CG1-CD2 4.3Å; V393-F404 HydrophobicContact CB-CZ 4.5Å; V393-F404 HydrophobicContact CG1-CE1 4.14Å; V393-F404 HydrophobicContact CG1-CZ 4.13Å; V393-F404 HydrophobicContact CG2-CE1 4.01Å; V393-F404 HydrophobicContact CG2-CZ 4.31Å
394	R	87.7	Confident	87.3	Confident	102 Å²	102	59.8 Å²	59.8	39%	0.385	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	157.6	178	-44.3	-178.8	177.5	100.6	1.5	110.7	L377 T378 D380 V392	L377-R394 WeakPolarHBondContact CA-O 3.34Å; T378-R394 PolarHBondContact N-O 3.1Å; T378-R394 PolarHBondContact O-N 3.02Å; T378-R394 WeakPolarHBondContact OG1-CB 3.35Å; D380-R394 IonicContact OD2-CZ 2.73Å; D380-R394 IonicContact OD2-NH1 3.52Å; D380-R394 PolarHBondContact OD2-NH1 3.16Å; D380-R394 IonicContact OD2-NH2 3.56Å; D380-R394 PolarHBondContact OD2-NH2 3.42Å; D380-R394 VanDerWaalsContact OD2-NH2 3.08Å; V392-R394 HydrophobicContact CG1-CG 3.94Å
395	G	80.1	Confident	87.4	Confident	37 Å²	37	51.5 Å²	51.5	38%	0.381	27%	0.27	S	S	.	.			trans	92.5	19.4	179.7	0	0	0	0	0	114	S337 L377 R397	S337-G395 PolarHBondContact O-N 2.87Å; S337-G395 VanDerWaalsContact O-N 3.16Å; L377-G395 WeakPolarHBondContact CD2-O 3.47Å; G395-R397 PolarHBondContact O-N 3.22Å
396	L	84	Confident	87.6	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-66	133.6	176.9	-60.5	172.5	0	0	0	110.5	L334 S337 L339 L377 V393 Y402 F404 T429	L334-L396 HydrophobicContact CD1-CD1 3.75Å; S337-L396 WeakPolarHBondContact CB-O 3.45Å; S337-L396 PolarHBondContact O-N 3.15Å; L339-L396 HydrophobicContact CB-CD1 3.52Å; L377-L396 HydrophobicContact CD2-CD2 3.93Å; V393-L396 HydrophobicContact CG1-CD2 4.3Å; L396-Y402 HydrophobicContact CB-CE2 4.21Å; L396-Y402 HydrophobicContact CD2-CD1 4.19Å; L396-Y402 HydrophobicContact CD2-CD2 3.8Å; L396-Y402 HydrophobicContact CD2-CE1 4.14Å; L396-Y402 HydrophobicContact CD2-CE2 3.75Å; L396-Y402 HydrophobicContact CD2-CG 4.02Å; L396-F404 HydrophobicContact CD2-CZ 4.34Å; L396-T429 HydrophobicContact CB-CG2 3.89Å; L396-T429 HydrophobicContact CD1-CG2 4.3Å
397	R	76.8	Confident	87.7	Confident	104 Å²	104	46.6 Å²	46.6	39%	0.392	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-73.4	139.1	176.6	-66.4	-171.2	-62.4	-138.6	-6	110.3	E363 G395 F400 Y402 T429	E363-R397 IonicContact OE2-CZ 2.68Å; E363-R397 IonicContact OE2-NH1 2.64Å; E363-R397 IonicContact OE2-NH2 2.83Å; E363-R397 PolarHBondContact OE2-NH2 3.26Å; G395-R397 PolarHBondContact O-N 3.22Å; R397-F400 HydrophobicContact CB-CB 4.22Å; R397-F400 VanDerWaalsContact NH2-CE1 3.27Å; R397-F400 WeakPolarHBondContact O-CB 3.44Å; R397-Y402 PolarHBondContact N-OH 3.36Å; R397-T429 PolarHBondContact O-OG1 2.78Å
398	P	72.7	Confident	87.9	Confident	100 Å²	100	41.7 Å²	41.7	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	152.6	175.1	28.2	-33.9	0	0	0	111.2	F400 T429	P398-F400 VanDerWaalsContact C-N 3.31Å; P398-F400 PolarHBondContact O-N 2.92Å; P398-T429 VanDerWaalsContact C-OG1 3.3Å; P398-T429 WeakPolarHBondContact CA-OG1 3.48Å
399	D	73.4	Confident	88	Confident	112 Å²	112	38.7 Å²	38.7	60%	0.599	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	37.2	-177.4	-155.4	31.7	0	0	0	115	T429	D399-T429 PolarHBondContact N-O 3.39Å; D399-T429 PolarHBondContact N-OG1 2.95Å
400	F	79.3	Confident	88	Confident	41 Å²	41	37.2 Å²	37.2	18%	0.18	19%	0.192	C	C	.	.			trans	-131	148.3	-176.9	-138.2	-93.9	0	0	0	113.5	E363 R365 R397 P398 Y402 T428 T429	E363-F400 HydrophobicContact CB-CE1 4.1Å; E363-F400 HydrophobicContact CG-CE1 4.25Å; R365-F400 HydrophobicContact CG-CZ 3.96Å; R397-F400 HydrophobicContact CB-CB 4.22Å; R397-F400 VanDerWaalsContact NH2-CE1 3.27Å; R397-F400 WeakPolarHBondContact O-CB 3.44Å; P398-F400 VanDerWaalsContact C-N 3.31Å; P398-F400 PolarHBondContact O-N 2.92Å; F400-Y402 HydrophobicContact CB-CE2 3.9Å; F400-Y402 HydrophobicContact CD1-CE2 4.08Å; F400-Y402 HydrophobicContact CG-CE2 4.42Å; F400-T428 WeakPolarHBondContact O-CA 3.41Å; F400-T429 PolarHBondContact N-OG1 2.9Å; F400-T429 VanDerWaalsContact N-OG1 3.15Å; F400-T429 PolarHBondContact O-N 2.9Å
401	T	85	Confident	87.9	Confident	42 Å²	42	34.2 Å²	34.2	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128	178.4	-54.9	0	0	0	0	112.2	C364 V427 T428	C364-T401 PolarHBondContact N-O 3.45Å; T401-V427 CarbonylContact C-O 3.57Å; T401-V427 VanDerWaalsContact CA-O 3.3Å; T401-V427 WeakPolarHBondContact CA-O 3.43Å; T401-T428 PolarHBondContact OG1-OG1 3.4Å
402	Y	88.4	Confident	87.8	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.7	178.4	-66	-95.9	0	0	0	110.9	R362 E363 L377 L396 R397 F400 N426 V427	R362-Y402 CarbonylContact O-C 3.58Å; R362-Y402 WeakPolarHBondContact O-CA 3.49Å; E363-Y402 HydrophobicContact CG-CD1 3.62Å; E363-Y402 HydrophobicContact CG-CE1 3.3Å; L377-Y402 HydrophobicContact CD1-CD1 4.34Å; L377-Y402 HydrophobicContact CD1-CE1 4Å; L396-Y402 HydrophobicContact CB-CE2 4.21Å; L396-Y402 HydrophobicContact CD2-CD1 4.19Å; L396-Y402 HydrophobicContact CD2-CD2 3.8Å; L396-Y402 HydrophobicContact CD2-CE1 4.14Å; L396-Y402 HydrophobicContact CD2-CE2 3.75Å; L396-Y402 HydrophobicContact CD2-CG 4.02Å; R397-Y402 PolarHBondContact N-OH 3.36Å; F400-Y402 HydrophobicContact CB-CE2 3.9Å; F400-Y402 HydrophobicContact CD1-CE2 4.08Å; F400-Y402 HydrophobicContact CG-CE2 4.42Å; Y402-N426 CarbonylContact O-C 3.6Å; Y402-N426 WeakPolarHBondContact O-CA 3.38Å; Y402-V427 PolarHBondContact N-O 3.45Å; Y402-V427 PolarHBondContact O-N 3.1Å
403	T	90.6	Very high	87.8	Confident	20 Å²	20	34 Å²	34	12%	0.123	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.9	171.7	-59.4	0	0	0	0	109.5	R362 C364 V425 N426	R362-T403 PolarHBondContact N-O 3.31Å; R362-T403 PolarHBondContact O-N 3.34Å; C364-T403 PolarHBondContact SG-OG1 2.77Å; T403-V425 CarbonylContact C-O 3.57Å; T403-V425 VanDerWaalsContact CA-O 3.31Å; T403-V425 WeakPolarHBondContact CA-O 3.47Å; T403-N426 WeakPolarHBondContact CB-OD1 3.32Å; T403-N426 VanDerWaalsContact CG2-OD1 3.27Å; T403-N426 WeakPolarHBondContact CG2-OD1 3.39Å; T403-N426 PolarHBondContact OG1-OD1 2.83Å
404	F	92.5	Very high	87.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131.8	173.6	-58.5	-92.2	0	0	0	109.9	L339 L341 L359 R360 C361 F379 V393 L396 P424 V425	L339-F404 HydrophobicContact CD2-CD2 3.89Å; L339-F404 HydrophobicContact CD2-CE2 3.31Å; L339-F404 HydrophobicContact CD2-CZ 3.83Å; L341-F404 HydrophobicContact CD1-CB 3.89Å; L341-F404 HydrophobicContact CD1-CD1 4.25Å; L341-F404 HydrophobicContact CD1-CD2 4.08Å; L341-F404 HydrophobicContact CD1-CG 3.82Å; L359-F404 HydrophobicContact CD2-CB 4.22Å; L359-F404 HydrophobicContact CD2-CD1 3.55Å; L359-F404 HydrophobicContact CD2-CE1 4.31Å; L359-F404 HydrophobicContact CD2-CG 4.23Å; L359-F404 HydrophobicContact CG-CB 4.49Å; R360-F404 CarbonylContact O-C 3.54Å; R360-F404 WeakPolarHBondContact O-CA 3.4Å; C361-F404 HydrophobicContact CB-CD1 3.84Å; C361-F404 HydrophobicContact CB-CE1 3.8Å; C361-F404 WeakPolarHBondContact SG-CE1 3.42Å; F379-F404 HydrophobicContact CE1-CE1 4.16Å; F379-F404 HydrophobicContact CZ-CE1 4.5Å; V393-F404 HydrophobicContact CB-CZ 4.5Å; V393-F404 HydrophobicContact CG1-CE1 4.14Å; V393-F404 HydrophobicContact CG1-CZ 4.13Å; V393-F404 HydrophobicContact CG2-CE1 4.01Å; V393-F404 HydrophobicContact CG2-CZ 4.31Å; L396-F404 HydrophobicContact CD2-CZ 4.34Å; F404-P424 CarbonylContact O-C 3.6Å; F404-P424 WeakPolarHBondContact O-CA 3.33Å; F404-V425 HydrophobicContact CB-CG1 3.7Å; F404-V425 HydrophobicContact CD2-CG1 4.43Å; F404-V425 PolarHBondContact N-O 3.5Å; F404-V425 PolarHBondContact O-N 2.73Å
405	E	93.6	Very high	87.8	Confident	17 Å²	17	38.1 Å²	38.1	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.2	174.8	-60	168.5	-170	0	0	108.6	L359 R360 R362 F422	L359-E405 WeakPolarHBondContact CA-O 3.48Å; R360-E405 HydrophobicContact CB-CB 4.31Å; R360-E405 IonicContact CZ-OE1 2.66Å; R360-E405 IonicContact CZ-OE2 2.81Å; R360-E405 PolarHBondContact N-O 3.2Å; R360-E405 IonicContact NE-OE1 3.68Å; R360-E405 IonicContact NE-OE2 2.67Å; R360-E405 PolarHBondContact NE-OE2 2.84Å; R360-E405 VanDerWaalsContact NH2-CD 3.34Å; R360-E405 IonicContact NH2-OE1 2.65Å; R360-E405 PolarHBondContact NH2-OE1 3.16Å; R360-E405 VanDerWaalsContact NH2-OE1 3.17Å; R360-E405 IonicContact NH2-OE2 3.16Å; R360-E405 PolarHBondContact NH2-OE2 2.84Å; R360-E405 PolarHBondContact O-N 3.47Å; R362-E405 IonicContact CZ-OE1 2.64Å; R362-E405 IonicContact NE-OE1 3.69Å; R362-E405 PolarHBondContact NE-OE1 2.9Å; R362-E405 IonicContact NH2-OE1 3.62Å; E405-F422 HydrophobicContact CB-CB 4.36Å; E405-F422 HydrophobicContact CB-CD2 3.74Å; E405-F422 HydrophobicContact CB-CE2 4.36Å; E405-F422 HydrophobicContact CB-CG 4.22Å; E405-F422 HydrophobicContact CG-CD2 3.72Å; E405-F422 HydrophobicContact CG-CE2 3.81Å
406	V	94.7	Very high	88.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.2	179.5	-164.1	0	0	0	0	109.3	P327 V330 W343 L359 F422 E423	P327-V406 HydrophobicContact CB-CG1 4.41Å; P327-V406 WeakPolarHBondContact CD-O 3.42Å; P327-V406 HydrophobicContact CG-CB 4.29Å; P327-V406 HydrophobicContact CG-CG1 3.89Å; V330-V406 HydrophobicContact CG1-CG2 4.12Å; V330-V406 HydrophobicContact CG2-CG2 4.09Å; W343-V406 HydrophobicContact CD2-CG1 3.66Å; W343-V406 HydrophobicContact CE3-CG1 3.93Å; W343-V406 HydrophobicContact CE3-CG2 4.31Å; W343-V406 HydrophobicContact CG-CG1 4.15Å; W343-V406 HydrophobicContact CH2-CG1 4.24Å; W343-V406 HydrophobicContact CZ2-CG1 3.98Å; W343-V406 HydrophobicContact CZ3-CG1 4.2Å; L359-V406 HydrophobicContact CD1-CB 4.25Å; L359-V406 HydrophobicContact CD1-CG1 4.08Å; L359-V406 HydrophobicContact CD1-CG2 3.7Å; V406-F422 CarbonylContact O-C 3.55Å; V406-F422 VanDerWaalsContact O-CA 3.24Å; V406-F422 WeakPolarHBondContact O-CA 3.38Å; V406-E423 PolarHBondContact N-O 2.75Å; V406-E423 PolarHBondContact O-N 3.47Å
407	T	94.8	Very high	87.9	Confident	25 Å²	25	44.9 Å²	44.9	15%	0.153	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.4	176.3	51	0	0	0	0	110.9	Y357 A358 V420 F422	Y357-T407 VanDerWaalsContact CA-O 3.22Å; Y357-T407 WeakPolarHBondContact CA-O 3.37Å; A358-T407 PolarHBondContact N-O 2.79Å; A358-T407 PolarHBondContact O-N 2.73Å; A358-T407 PolarHBondContact O-OG1 2.82Å; T407-V420 HydrophobicContact CG2-CG1 3.89Å; T407-F422 HydrophobicContact CG2-CB 3.55Å
408	A	95.1	Very high	87.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139	164.8	0	0	0	0	0	109.3	P324 P327 P346 T356 Y357	P324-A408 HydrophobicContact CB-CB 4.38Å; P324-A408 HydrophobicContact CG-CB 3.97Å; P324-A408 WeakPolarHBondContact CG-O 3.31Å; P327-A408 HydrophobicContact CG-CB 4.03Å; P346-A408 HydrophobicContact CB-CB 4.44Å; P346-A408 HydrophobicContact CG-CB 4.09Å; T356-A408 CarbonylContact O-C 3.54Å; Y357-A408 HydrophobicContact CD1-CB 3.95Å; Y357-A408 HydrophobicContact CE1-CB 3.89Å
409	L	94.3	Very high	88.2	Confident	47 Å²	47	43.5 Å²	43.5	25%	0.246	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.6	-178.3	-61.1	173.5	0	0	0	109.3	L355 T356 A358 V420	L355-L409 CarbonylContact C-O 3.59Å; L355-L409 WeakPolarHBondContact CA-O 3.4Å; T356-L409 PolarHBondContact N-O 3.17Å; T356-L409 PolarHBondContact O-N 3.18Å; T356-L409 PolarHBondContact OG1-O 2.97Å; A358-L409 HydrophobicContact CB-CD1 4.27Å; L409-V420 HydrophobicContact CD2-CG1 3.89Å
410	N	93.5	Very high	88.9	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.053	27%	0.27	C	S	.	.			trans	-139.6	177.6	173.3	71.6	9.1	0	0	0	110.6	T322 S349 L355 V412 S413	T322-N410 PolarHBondContact O-ND2 2.81Å; S349-N410 PolarHBondContact O-ND2 3.1Å; S349-N410 VanDerWaalsContact O-ND2 3.14Å; L355-N410 HydrophobicContact CD2-CB 4.32Å; N410-V412 PolarHBondContact O-N 2.8Å; N410-V412 WeakPolarHBondContact OD1-CG2 3.28Å; N410-V412 PolarHBondContact OD1-N 2.71Å; N410-V412 VanDerWaalsContact OD1-N 3.17Å; N410-S413 PolarHBondContact N-OG 3.42Å; N410-S413 WeakPolarHBondContact O-CB 3.45Å; N410-S413 PolarHBondContact O-N 3.15Å; N410-S413 PolarHBondContact O-OG 3.33Å; N410-S413 PolarHBondContact OD1-N 3.12Å; N410-S413 VanDerWaalsContact OD1-N 3.11Å; N410-S413 PolarHBondContact OD1-OG 2.61Å
411	G	90.9	Very high	89.4	Confident	30 Å²	30	42.4 Å²	42.4	31%	0.309	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.2	-175.1	0	0	0	0	0	116.3	D354	D354-G411 WeakPolarHBondContact OD2-CA 3.37Å; D354-G411 PolarHBondContact OD2-N 2.83Å
412	V	93.3	Very high	89.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-3.3	177.2	-61.6	0	0	0	0	114.1	F309 A311 T322 N410 S414 L415	F309-V412 HydrophobicContact CB-CB 3.98Å; F309-V412 HydrophobicContact CB-CG1 4.02Å; A311-V412 HydrophobicContact CB-CG1 4.29Å; T322-V412 WeakPolarHBondContact O-CG2 3.31Å; N410-V412 PolarHBondContact O-N 2.8Å; N410-V412 WeakPolarHBondContact OD1-CG2 3.28Å; N410-V412 PolarHBondContact OD1-N 2.71Å; N410-V412 VanDerWaalsContact OD1-N 3.17Å; V412-S414 PolarHBondContact O-N 3.5Å; V412-L415 WeakPolarHBondContact O-CB 3.44Å; V412-L415 PolarHBondContact O-N 2.89Å
413	S	91.9	Very high	90	Very high	19 Å²	19	48.4 Å²	48.4	13%	0.133	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28	-175.4	-64.8	0	0	0	0	113.1	P324 N410 L415	P324-S413 VanDerWaalsContact CD-OG 3.31Å; P324-S413 WeakPolarHBondContact CD-OG 3.33Å; N410-S413 PolarHBondContact N-OG 3.42Å; N410-S413 WeakPolarHBondContact O-CB 3.45Å; N410-S413 PolarHBondContact O-N 3.15Å; N410-S413 PolarHBondContact O-OG 3.33Å; N410-S413 PolarHBondContact OD1-N 3.12Å; N410-S413 VanDerWaalsContact OD1-N 3.11Å; N410-S413 PolarHBondContact OD1-OG 2.61Å; S413-L415 VanDerWaalsContact C-N 3.31Å; S413-L415 PolarHBondContact O-N 3.42Å
414	S	88.9	Confident	90.1	Very high	107 Å²	107	50.6 Å²	50.6	75%	0.748	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-74.9	-15.9	175.4	58.9	0	0	0	0	114.5	V412	V412-S414 PolarHBondContact O-N 3.5Å
415	L	89.3	Confident	90	Very high	82 Å²	82	51.3 Å²	51.3	43%	0.429	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-90.4	-16.4	-179.1	-58.8	176.3	0	0	0	112.5	F309 R310 V412 S413	F309-L415 HydrophobicContact CB-CB 4.3Å; F309-L415 HydrophobicContact CB-CD1 3.94Å; F309-L415 HydrophobicContact CD1-CB 3.93Å; F309-L415 HydrophobicContact CE1-CB 4.47Å; F309-L415 HydrophobicContact CG-CB 4.05Å; R310-L415 WeakPolarHBondContact O-CD1 3.48Å; V412-L415 WeakPolarHBondContact O-CB 3.44Å; V412-L415 PolarHBondContact O-N 2.89Å; S413-L415 VanDerWaalsContact C-N 3.31Å; S413-L415 PolarHBondContact O-N 3.42Å
416	A	87	Confident	89.9	Confident	31 Å²	31	55.8 Å²	55.8	26%	0.256	35%	0.347	S	S	.	.			trans	-82.2	136	178.5	0	0	0	0	0	111.2	F309 P323 G418	F309-A416 HydrophobicContact CE2-CB 4.13Å; F309-A416 HydrophobicContact CZ-CB 4.47Å; P323-A416 HydrophobicContact CG-CB 3.42Å; P323-A416 VanDerWaalsContact CG-CB 3.42Å; A416-G418 VanDerWaalsContact C-N 3.35Å
417	T	80.3	Confident	89.5	Confident	153 Å²	153	56.2 Å²	56.2	94%	0.939	35%	0.349	S	S	*	.			trans	-93.6	14.3	-179	52.6	0	0	0	0	113.5
418	G	76.8	Confident	88.9	Confident	46 Å²	46	58.9 Å²	58.9	47%	0.474	37%	0.365	S	S	.	.	S	Bend	trans	-99.8	167.1	-177.8	0	0	0	0	0	113.9	A416	A416-G418 VanDerWaalsContact C-N 3.35Å
419	P	79.6	Confident	88	Confident	128 Å²	128	59.1 Å²	59.1	83%	0.831	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-64.5	135.7	174.3	27.8	-33.3	0	0	0	110.9	P421	P419-P421 WeakPolarHBondContact O-CD 3.42Å
420	V	87.1	Confident	86.7	Confident	74 Å²	74	63.2 Å²	63.2	45%	0.448	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-75.2	122	179.6	-177.3	0	0	0	0	109.6	T407 L409	T407-V420 HydrophobicContact CG2-CG1 3.89Å; L409-V420 HydrophobicContact CD2-CG1 3.89Å
421	P	90	Very high	85.1	Confident	57 Å²	57	73 Å²	73	37%	0.37	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.7	175.6	-21.6	34	0	0	0	112	A326 P419	A326-P421 HydrophobicContact CB-CB 3.9Å; P419-P421 WeakPolarHBondContact O-CD 3.42Å
422	F	92.8	Very high	83.7	Confident	89 Å²	89	79.8 Å²	79.8	39%	0.39	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.2	178.1	66	-91.8	0	0	0	111.6	E405 V406 T407 P424	E405-F422 HydrophobicContact CB-CB 4.36Å; E405-F422 HydrophobicContact CB-CD2 3.74Å; E405-F422 HydrophobicContact CB-CE2 4.36Å; E405-F422 HydrophobicContact CB-CG 4.22Å; E405-F422 HydrophobicContact CG-CD2 3.72Å; E405-F422 HydrophobicContact CG-CE2 3.81Å; V406-F422 CarbonylContact O-C 3.55Å; V406-F422 VanDerWaalsContact O-CA 3.24Å; V406-F422 WeakPolarHBondContact O-CA 3.38Å; T407-F422 HydrophobicContact CG2-CB 3.55Å; F422-P424 HydrophobicContact CE2-CB 4.35Å; F422-P424 HydrophobicContact CE2-CG 4.5Å
423	E	93.6	Very high	82.2	Confident	80 Å²	80	83.2 Å²	83.2	37%	0.374	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	173.8	-171.9	60.6	-158.1	0	0	110.1	V330 V406	V330-E423 HydrophobicContact CB-CG 4.41Å; V330-E423 HydrophobicContact CG2-CB 3.93Å; V330-E423 HydrophobicContact CG2-CG 3.54Å; V406-E423 PolarHBondContact N-O 2.75Å; V406-E423 PolarHBondContact O-N 3.47Å
424	P	91.8	Very high	81.3	Confident	66 Å²	66	82.5 Å²	82.5	43%	0.429	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.8	-178.6	33.9	-32.8	0	0	0	113.3	F404 F422	F404-P424 CarbonylContact O-C 3.6Å; F404-P424 WeakPolarHBondContact O-CA 3.33Å; F422-P424 HydrophobicContact CE2-CB 4.35Å; F422-P424 HydrophobicContact CE2-CG 4.5Å
425	V	91.4	Very high	80.6	Confident	15 Å²	15	80.4 Å²	80.4	9%	0.091	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.7	173.5	60	0	0	0	0	111.3	V330 L341 T403 F404 V427	V330-V425 HydrophobicContact CG1-CB 3.98Å; V330-V425 HydrophobicContact CG1-CG1 3.91Å; V330-V425 HydrophobicContact CG1-CG2 4.4Å; L341-V425 HydrophobicContact CD1-CG1 4.21Å; L341-V425 HydrophobicContact CD2-CG1 3.84Å; L341-V425 HydrophobicContact CD2-CG2 4.31Å; T403-V425 CarbonylContact C-O 3.57Å; T403-V425 VanDerWaalsContact CA-O 3.31Å; T403-V425 WeakPolarHBondContact CA-O 3.47Å; F404-V425 HydrophobicContact CB-CG1 3.7Å; F404-V425 HydrophobicContact CD2-CG1 4.43Å; F404-V425 PolarHBondContact N-O 3.5Å; F404-V425 PolarHBondContact O-N 2.73Å; V425-V427 HydrophobicContact CG2-CG2 4.31Å
426	N	89.9	Confident	80.1	Confident	111 Å²	111	78.6 Å²	78.6	59%	0.594	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.7	-179.3	-66.6	-24.4	0	0	0	111.1	Y402 T403	Y402-N426 CarbonylContact O-C 3.6Å; Y402-N426 WeakPolarHBondContact O-CA 3.38Å; T403-N426 WeakPolarHBondContact CB-OD1 3.32Å; T403-N426 VanDerWaalsContact CG2-OD1 3.27Å; T403-N426 WeakPolarHBondContact CG2-OD1 3.39Å; T403-N426 PolarHBondContact OG1-OD1 2.83Å
427	V	86.8	Confident	80	Confident	10 Å²	10	77.3 Å²	77.3	6%	0.061	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.3	-176.2	-178.2	0	0	0	0	110.7	L334 L339 T401 Y402 V425	L334-V427 HydrophobicContact CD1-CG1 4.11Å; L339-V427 HydrophobicContact CD1-CG1 4.12Å; L339-V427 HydrophobicContact CD1-CG2 3.98Å; L339-V427 HydrophobicContact CD2-CB 4.27Å; L339-V427 HydrophobicContact CD2-CG1 4.29Å; L339-V427 HydrophobicContact CD2-CG2 3.81Å; T401-V427 CarbonylContact C-O 3.57Å; T401-V427 VanDerWaalsContact CA-O 3.3Å; T401-V427 WeakPolarHBondContact CA-O 3.43Å; Y402-V427 PolarHBondContact N-O 3.45Å; Y402-V427 PolarHBondContact O-N 3.1Å; V425-V427 HydrophobicContact CG2-CG2 4.31Å
428	T	82.1	Confident	79.9	Confident	80 Å²	80	73.4 Å²	73.4	49%	0.491	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.6	177.6	-52.5	0	0	0	0	110.6	L334 F400 T401	L334-T428 WeakPolarHBondContact CD2-O 3.43Å; F400-T428 WeakPolarHBondContact O-CA 3.41Å; T401-T428 PolarHBondContact OG1-OG1 3.4Å
429	T	77.1	Confident	80.1	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.043	42%	0.417	C	S	.	.			trans	-100.4	145.9	-171.8	54.6	0	0	0	0	115.9	L334 L396 R397 P398 D399 F400	L334-T429 HydrophobicContact CD1-CG2 4.11Å; L334-T429 HydrophobicContact CD2-CG2 4.11Å; L396-T429 HydrophobicContact CB-CG2 3.89Å; L396-T429 HydrophobicContact CD1-CG2 4.3Å; R397-T429 PolarHBondContact O-OG1 2.78Å; P398-T429 VanDerWaalsContact C-OG1 3.3Å; P398-T429 WeakPolarHBondContact CA-OG1 3.48Å; D399-T429 PolarHBondContact N-O 3.39Å; D399-T429 PolarHBondContact N-OG1 2.95Å; F400-T429 PolarHBondContact N-OG1 2.9Å; F400-T429 VanDerWaalsContact N-OG1 3.15Å; F400-T429 PolarHBondContact O-N 2.9Å
430	D	66.7	Low	80.5	Confident	133 Å²	133	70.7 Å²	70.7	71%	0.711	38%	0.381	S	S	*	.			trans	-82.1	178.8	-173.3	-60.8	-39.6	0	0	0	117.3
431	R	60.1	Low	80.5	Confident	215 Å²	215	75.3 Å²	75.3	81%	0.811	39%	0.39	S	S	*	.			trans	-96	159.1	-176.2	-63.8	-176.9	170.8	-170.1	-3.9	115.2
432	E	60.7	Low	80.2	Confident	173 Å²	173	75.3 Å²	75.3	81%	0.808	39%	0.389	S	S	*	.			trans	-61.6	152.5	-158.6	-120.7	173.4	-177.9	0	0	121.5
433	V	63.4	Low	79.8	Confident	71 Å²	71	75.3 Å²	75.3	43%	0.43	40%	0.397	S	S	.	.			trans	-123.3	164.6	179.4	-82.6	0	0	0	0	114.3	A513	V433-A513 HydrophobicContact CG1-CB 4.03Å; V433-A513 WeakPolarHBondContact CG1-O 3.35Å
434	P	71.8	Confident	79.2	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.032	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-63.1	150.6	-174.4	-24	35.2	0	0	0	115.7	A459 S511 G516 P517	P434-A459 HydrophobicContact CB-CB 4.35Å; P434-S511 VanDerWaalsContact CD-OG 3.27Å; P434-S511 WeakPolarHBondContact CD-OG 3.42Å; P434-S511 VanDerWaalsContact CG-CB 3.42Å; P434-S511 VanDerWaalsContact CG-OG 3.25Å; P434-S511 WeakPolarHBondContact CG-OG 3.28Å; P434-G516 WeakPolarHBondContact O-CA 3.46Å; P434-P517 WeakPolarHBondContact O-CD 3.48Å
435	P	74.8	Confident	78.7	Confident	62 Å²	62	79.6 Å²	79.6	40%	0.403	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-73.8	162.5	179	30.1	-33.7	0	0	0	113.3	P457	P435-P457 HydrophobicContact CG-CB 4.35Å
436	A	79.4	Confident	78.1	Confident	45 Å²	45	80.4 Å²	80.4	37%	0.372	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-62.5	142.1	-177.9	0	0	0	0	0	113.3	P517	A436-P517 HydrophobicContact CB-CG 4.2Å
437	V	83.1	Confident	77.5	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.018	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-74.6	135.6	177.9	179.3	0	0	0	0	110.4	W454 P457 Y467 V507 A509 G519	V437-W454 HydrophobicContact CG1-CB 4.02Å; V437-W454 HydrophobicContact CG1-CG 3.84Å; V437-P457 HydrophobicContact CG2-CG 3.94Å; V437-Y467 HydrophobicContact CG2-CD1 4.17Å; V437-Y467 HydrophobicContact CG2-CE1 4.18Å; V437-V507 HydrophobicContact CB-CB 4.22Å; V437-V507 HydrophobicContact CB-CG1 4.32Å; V437-V507 HydrophobicContact CG1-CB 4.07Å; V437-V507 HydrophobicContact CG1-CG1 4.09Å; V437-V507 HydrophobicContact CG2-CG1 4.24Å; V437-A509 HydrophobicContact CG2-CB 3.84Å; V437-G519 VanDerWaalsContact O-CA 3.31Å; V437-G519 WeakPolarHBondContact O-CA 3.5Å
438	S	80.1	Confident	77.2	Confident	72 Å²	72	79.1 Å²	79.1	50%	0.503	41%	0.412	S	S	.	.			trans	-127.3	172.6	-179.8	45.5	0	0	0	0	111.9
439	D	80.7	Confident	77.4	Confident	103 Å²	103	76.3 Å²	76.3	55%	0.551	40%	0.396	S	S	*	.			trans	60.7	48.6	177.8	-65.4	-23.6	0	0	0	116.2	A455	D439-A455 HydrophobicContact CB-CB 4.18Å
440	I	87.6	Confident	77.9	Confident	14 Å²	14	76 Å²	76	7%	0.072	39%	0.394	C	S	.	.			trans	-69.7	130.7	171.4	-56.1	166.1	0	0	0	109.5	L452 A453 W454 V507 H522	I440-L452 HydrophobicContact CG2-CD2 4.41Å; I440-A453 CarbonylContact C-O 3.53Å; I440-W454 HydrophobicContact CG1-CB 4.2Å; I440-V507 HydrophobicContact CD1-CB 4.37Å; I440-V507 HydrophobicContact CD1-CG2 3.78Å; I440-V507 HydrophobicContact CG1-CG2 4.16Å; I440-H522 HydrophobicContact CB-CB 4.07Å; I440-H522 HydrophobicContact CD1-CB 4.06Å; I440-H522 HydrophobicContact CG2-CB 4.2Å; I440-H522 PolarHBondContact O-CE1 3.26Å; I440-H522 PolarHBondContact O-ND1 3.16Å; I440-H522 PolarHBondContact O-NE2 3.05Å
441	R	85.9	Confident	79	Confident	170 Å²	170	70.7 Å²	70.7	64%	0.642	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.7	-179.6	-56.9	-178.5	-173.1	-167.1	-0	111.7	L452 A453	R441-L452 CarbonylContact O-C 3.57Å; R441-L452 WeakPolarHBondContact O-CA 3.38Å; R441-A453 PolarHBondContact N-O 2.81Å; R441-A453 PolarHBondContact O-N 2.88Å
442	V	85.1	Confident	80.5	Confident	58 Å²	58	60.6 Å²	60.6	35%	0.352	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.8	171.9	-174.7	0	0	0	0	109.6	L450 S451 L452 S524	V442-L450 HydrophobicContact CG1-CD2 4.16Å; V442-S451 CarbonylContact C-O 3.56Å; V442-S451 WeakPolarHBondContact CA-O 3.44Å; V442-L452 HydrophobicContact CB-CD2 4.43Å; V442-L452 HydrophobicContact CG2-CD2 3.75Å; V442-S524 WeakPolarHBondContact CG2-OG 3.41Å
443	T	83.7	Confident	81.9	Confident	89 Å²	89	53.6 Å²	53.6	55%	0.546	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-31.1	-178.3	53.5	0	0	0	0	113.1	S451 A453	T443-S451 PolarHBondContact N-O 3.37Å; T443-S451 VanDerWaalsContact OG1-CB 3.27Å; T443-S451 WeakPolarHBondContact OG1-CB 3.15Å; T443-S451 PolarHBondContact OG1-O 3.06Å; T443-A453 HydrophobicContact CG2-CB 4.08Å
444	R	80.8	Confident	83.2	Confident	197 Å²	197	50.7 Å²	50.7	74%	0.743	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.1	173.3	-64.2	-174.1	-174.4	-163	0.6	110.1	S451	R444-S451 PolarHBondContact O-N 2.87Å
445	S	81.3	Confident	83.8	Confident	39 Å²	39	52.4 Å²	52.4	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.7	173.4	-177.8	0	0	0	0	109.4	L450 Q525 Q527	S445-L450 WeakPolarHBondContact OG-CD2 3.25Å; S445-Q525 PolarHBondContact OG-O 2.88Å; S445-Q525 VanDerWaalsContact OG-O 3.05Å; S445-Q527 PolarHBondContact O-OE1 3.35Å
446	S	79.6	Confident	84.1	Confident	31 Å²	31	53.5 Å²	53.5	22%	0.217	30%	0.303	C	S	.	.			trans	-125.4	175	173.3	82.5	0	0	0	0	109.6	S448 S449 T526 Q527	S446-S448 PolarHBondContact O-N 2.62Å; S446-S448 VanDerWaalsContact O-N 3.12Å; S446-S448 PolarHBondContact OG-N 3.13Å; S446-S449 PolarHBondContact N-O 2.91Å; S446-S449 PolarHBondContact OG-N 3.15Å; S446-S449 PolarHBondContact OG-O 2.98Å; S446-S449 PolarHBondContact OG-OG 2.04Å; S446-T526 WeakPolarHBondContact O-CB 3.06Å; S446-Q527 PolarHBondContact O-N 2.89Å
447	P	77.4	Confident	84	Confident	38 Å²	38	52.1 Å²	52.1	25%	0.247	29%	0.29	C	S	.	.	S	Bend	trans	-60	-19.6	174.4	-25.5	35.4	0	0	0	114.1	R499	P447-R499 HydrophobicContact CB-CG 4.14Å; P447-R499 VanDerWaalsContact O-CA 3.24Å; P447-R499 WeakPolarHBondContact O-CA 3.5Å; P447-R499 VanDerWaalsContact O-CG 3.26Å; P447-R499 WeakPolarHBondContact O-CG 3.14Å
448	S	80.4	Confident	83.1	Confident	56 Å²	56	63.3 Å²	63.3	39%	0.392	33%	0.332	S	S	.	.	S	Bend	trans	-138.1	9	-176.3	64.1	0	0	0	0	115.7	S446 G496 L497	S446-S448 PolarHBondContact O-N 2.62Å; S446-S448 VanDerWaalsContact O-N 3.12Å; S446-S448 PolarHBondContact OG-N 3.13Å; S448-G496 PolarHBondContact O-N 2.79Å; S448-L497 WeakPolarHBondContact CA-O 3.4Å; S448-L497 PolarHBondContact O-N 2.91Å
449	S	85	Confident	82.1	Confident	22 Å²	22	61.1 Å²	61.1	15%	0.154	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.8	177.3	68.3	0	0	0	0	113.9	S446 L494	S446-S449 PolarHBondContact N-O 2.91Å; S446-S449 PolarHBondContact OG-N 3.15Å; S446-S449 PolarHBondContact OG-O 2.98Å; S446-S449 PolarHBondContact OG-OG 2.04Å; S449-L494 CarbonylContact C-O 3.59Å; S449-L494 WeakPolarHBondContact CA-O 3.03Å; S449-L494 VanDerWaalsContact CB-O 3.28Å; S449-L494 WeakPolarHBondContact CB-O 3.06Å
450	L	88.8	Confident	81	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.1	175.2	-70.4	172.8	0	0	0	110.1	V442 S445 L494 L497 T526	V442-L450 HydrophobicContact CG1-CD2 4.16Å; S445-L450 WeakPolarHBondContact OG-CD2 3.25Å; L450-L494 HydrophobicContact CB-CB 4.42Å; L450-L494 PolarHBondContact N-O 2.82Å; L450-L494 PolarHBondContact O-N 2.93Å; L450-L497 HydrophobicContact CB-CD1 3.9Å; L450-L497 HydrophobicContact CD1-CD1 3.64Å; L450-L497 HydrophobicContact CG-CD1 3.6Å; L450-T526 HydrophobicContact CD1-CG2 4.46Å; L450-T526 HydrophobicContact CD2-CG2 4.38Å; L450-T526 HydrophobicContact CG-CG2 4.1Å
451	S	89.1	Confident	79.5	Confident	22 Å²	22	66.5 Å²	66.5	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130	172.7	-61.7	0	0	0	0	110.8	V442 T443 R444	V442-S451 CarbonylContact C-O 3.56Å; V442-S451 WeakPolarHBondContact CA-O 3.44Å; T443-S451 PolarHBondContact N-O 3.37Å; T443-S451 VanDerWaalsContact OG1-CB 3.27Å; T443-S451 WeakPolarHBondContact OG1-CB 3.15Å; T443-S451 PolarHBondContact OG1-O 3.06Å; R444-S451 PolarHBondContact O-N 2.87Å
452	L	91.6	Very high	78.5	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.8	-172.3	-57.5	174.1	0	0	0	112	I440 R441 V442 W454 R491 A492 L494 V505	I440-L452 HydrophobicContact CG2-CD2 4.41Å; R441-L452 CarbonylContact O-C 3.57Å; R441-L452 WeakPolarHBondContact O-CA 3.38Å; V442-L452 HydrophobicContact CB-CD2 4.43Å; V442-L452 HydrophobicContact CG2-CD2 3.75Å; L452-W454 HydrophobicContact CB-CZ3 4.35Å; L452-R491 CarbonylContact O-C 3.58Å; L452-R491 WeakPolarHBondContact O-CA 3.18Å; L452-R491 WeakPolarHBondContact O-CB 3.42Å; L452-A492 PolarHBondContact N-O 3.09Å; L452-A492 PolarHBondContact O-N 3.17Å; L452-L494 HydrophobicContact CD1-CD1 3.73Å; L452-L494 HydrophobicContact CD1-CG 4.06Å; L452-V505 HydrophobicContact CD1-CB 4.43Å; L452-V505 HydrophobicContact CD1-CG1 3.73Å; L452-V505 HydrophobicContact CD1-CG2 4.22Å
453	A	89.4	Confident	77.8	Confident	27 Å²	27	61.4 Å²	61.4	22%	0.223	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.5	170.3	0	0	0	0	0	111	I440 R441 T443 N490 R491	I440-A453 CarbonylContact C-O 3.53Å; R441-A453 PolarHBondContact N-O 2.81Å; R441-A453 PolarHBondContact O-N 2.88Å; T443-A453 HydrophobicContact CG2-CB 4.08Å; A453-N490 WeakPolarHBondContact CA-O 3.18Å; A453-R491 HydrophobicContact CB-CB 4.27Å
454	W	90.8	Very high	77.6	Confident	9 Å²	9	58.8 Å²	58.8	3%	0.034	35%	0.35	C	S	.	.			trans	-139.7	164.5	-179.3	53.6	86	0	0	0	113.3	V437 I440 L452 Y467 V469 T487 N490 A492 V507	V437-W454 HydrophobicContact CG1-CB 4.02Å; V437-W454 HydrophobicContact CG1-CG 3.84Å; I440-W454 HydrophobicContact CG1-CB 4.2Å; L452-W454 HydrophobicContact CB-CZ3 4.35Å; W454-Y467 HydrophobicContact CZ2-CD1 4.38Å; W454-Y467 HydrophobicContact CZ2-CD2 4.31Å; W454-Y467 AromaticContact CZ2-CG 3.89Å; W454-Y467 HydrophobicContact CZ2-CG 3.89Å; W454-Y467 AromaticContact NE1-CD1 3.26Å; W454-Y467 VanDerWaalsContact NE1-CD1 3.26Å; W454-Y467 AromaticContact NE1-CD2 3.96Å; W454-Y467 AromaticContact NE1-CE1 3.44Å; W454-Y467 AromaticContact NE1-CG 3.54Å; W454-Y467 AromaticContact NE1-CZ 3.9Å; W454-V469 HydrophobicContact CH2-CG2 3.35Å; W454-V469 HydrophobicContact CZ2-CG2 4.15Å; W454-V469 HydrophobicContact CZ3-CG2 3.8Å; W454-T487 HydrophobicContact CH2-CG2 3.68Å; W454-T487 HydrophobicContact CZ2-CG2 3.7Å; W454-N490 PolarHBondContact N-O 3.45Å; W454-N490 PolarHBondContact O-ND2 2.98Å; W454-A492 HydrophobicContact CH2-CB 3.86Å; W454-A492 HydrophobicContact CZ3-CB 4.07Å; W454-V507 HydrophobicContact CD2-CG1 4.02Å; W454-V507 HydrophobicContact CD2-CG2 4.12Å; W454-V507 HydrophobicContact CE3-CG1 4.49Å; W454-V507 HydrophobicContact CE3-CG2 3.87Å; W454-V507 HydrophobicContact CG-CG1 4.47Å; W454-V507 HydrophobicContact CH2-CG1 4.37Å; W454-V507 HydrophobicContact CH2-CG2 4.48Å; W454-V507 HydrophobicContact CZ2-CG1 3.89Å; W454-V507 HydrophobicContact CZ3-CG2 4.06Å
455	A	85	Confident	77.6	Confident	42 Å²	42	53.3 Å²	53.3	35%	0.347	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-76.4	141.6	174.9	0	0	0	0	0	111.4	D439 P457	D439-A455 HydrophobicContact CB-CB 4.18Å; A455-P457 WeakPolarHBondContact O-CD 3.36Å
456	V	81.5	Confident	77.8	Confident	84 Å²	84	52.9 Å²	52.9	51%	0.509	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-76.5	118.9	176.2	175.2	0	0	0	0	109.1	V464 Y467 N490	V456-V464 HydrophobicContact CG1-CG2 4.49Å; V456-Y467 VanDerWaalsContact CG1-OH 3.31Å; V456-Y467 WeakPolarHBondContact CG1-OH 3.38Å; V456-Y467 WeakPolarHBondContact CG2-OH 3.31Å; V456-N490 HydrophobicContact CG2-CB 4.02Å
457	P	76.3	Confident	78.3	Confident	17 Å²	17	51.9 Å²	51.9	11%	0.11	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.9	134	179.7	27.6	-34.1	0	0	0	110.6	P435 V437 A455 A459 V464 A509	P435-P457 HydrophobicContact CG-CB 4.35Å; V437-P457 HydrophobicContact CG2-CG 3.94Å; A455-P457 WeakPolarHBondContact O-CD 3.36Å; P457-A459 PolarHBondContact O-N 2.75Å; P457-V464 HydrophobicContact CG-CG2 4.29Å; P457-A509 HydrophobicContact CG-CB 3.77Å
458	R	65.9	Low	78.9	Confident	237 Å²	237	51 Å²	51	89%	0.894	31%	0.314	S	S	*	.			trans	-76.4	104.6	175.5	-68.1	179.7	-178.3	163.3	0.4	109
459	A	59.1	Low	79.4	Confident	26 Å²	26	48.3 Å²	48.3	22%	0.215	30%	0.295	C	S	.	.			trans	-89.4	129.6	171.1	0	0	0	0	0	110	P434 P457 S461	P434-A459 HydrophobicContact CB-CB 4.35Å; P457-A459 PolarHBondContact O-N 2.75Å; A459-S461 PolarHBondContact O-N 2.79Å
460	P	57.3	Low	79.6	Confident	132 Å²	132	49.6 Å²	49.6	86%	0.857	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.5	178.3	-21.7	32.4	0	0	0	114.8
461	S	55.8	Low	79.6	Confident	98 Å²	98	50.8 Å²	50.8	69%	0.685	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	9.6	-165.2	53.2	0	0	0	0	116	A459	A459-S461 PolarHBondContact O-N 2.79Å
462	G	63.9	Low	79.5	Confident	39 Å²	39	51.3 Å²	51.3	40%	0.402	30%	0.303	S	S	.	.	S	Bend	trans	170.2	161.2	174.8	0	0	0	0	0	115.4
463	A	70.6	Confident	79.2	Confident	83 Å²	83	53.9 Å²	53.9	69%	0.686	32%	0.315	S	S	*	.			trans	-70.2	140.6	175.8	0	0	0	0	0	111.2	L465	A463-L465 PolarHBondContact O-N 2.98Å
464	V	79	Confident	78.6	Confident	34 Å²	34	58.6 Å²	58.6	21%	0.206	33%	0.33	C	S	.	.			trans	-69.6	123.5	172	178.2	0	0	0	0	108.8	V456 P457 Y467 A509	V456-V464 HydrophobicContact CG1-CG2 4.49Å; P457-V464 HydrophobicContact CG-CG2 4.29Å; V464-Y467 HydrophobicContact CG1-CD1 4.46Å; V464-Y467 HydrophobicContact CG1-CE1 3.84Å; V464-Y467 HydrophobicContact CG1-CE2 3.95Å; V464-A509 HydrophobicContact CG1-CB 3.76Å; V464-A509 HydrophobicContact CG2-CB 4.24Å
465	L	81.7	Confident	77.7	Confident	81 Å²	81	61.8 Å²	61.8	42%	0.424	37%	0.366	S	S	.	.			trans	-83.3	-50.5	-175.9	-60.7	177	0	0	0	112	A463 R510 E512	A463-L465 PolarHBondContact O-N 2.98Å; L465-R510 PolarHBondContact N-O 2.86Å; L465-E512 HydrophobicContact CD1-CG 4.43Å
466	D	84.8	Confident	76.9	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.16	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	171	178.1	59.9	22.5	0	0	0	111.6	R510	D466-R510 VanDerWaalsContact CG-NH2 3.3Å; D466-R510 PolarHBondContact O-N 3.04Å; D466-R510 VanDerWaalsContact OD1-CB 3.31Å; D466-R510 WeakPolarHBondContact OD1-CB 3.47Å; D466-R510 IonicContact OD1-CZ 3.46Å; D466-R510 IonicContact OD1-NE 2.86Å; D466-R510 PolarHBondContact OD1-NE 3.41Å; D466-R510 IonicContact OD1-NH2 3.92Å; D466-R510 PolarHBondContact OD1-NH2 2.82Å; D466-R510 IonicContact OD2-CZ 2.7Å; D466-R510 IonicContact OD2-NE 2.71Å; D466-R510 PolarHBondContact OD2-NE 3.38Å; D466-R510 IonicContact OD2-NH2 3.68Å; D466-R510 PolarHBondContact OD2-NH2 2.88Å
467	Y	90.1	Very high	75.7	Confident	11 Å²	11	67 Å²	67	4%	0.043	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	149.2	177.7	-59	-89	0	0	0	111.3	V437 W454 V456 V464 K486 T487 V507 R508 A509	V437-Y467 HydrophobicContact CG2-CD1 4.17Å; V437-Y467 HydrophobicContact CG2-CE1 4.18Å; W454-Y467 HydrophobicContact CZ2-CD1 4.38Å; W454-Y467 HydrophobicContact CZ2-CD2 4.31Å; W454-Y467 AromaticContact CZ2-CG 3.89Å; W454-Y467 HydrophobicContact CZ2-CG 3.89Å; W454-Y467 AromaticContact NE1-CD1 3.26Å; W454-Y467 VanDerWaalsContact NE1-CD1 3.26Å; W454-Y467 AromaticContact NE1-CD2 3.96Å; W454-Y467 AromaticContact NE1-CE1 3.44Å; W454-Y467 AromaticContact NE1-CG 3.54Å; W454-Y467 AromaticContact NE1-CZ 3.9Å; V456-Y467 VanDerWaalsContact CG1-OH 3.31Å; V456-Y467 WeakPolarHBondContact CG1-OH 3.38Å; V456-Y467 WeakPolarHBondContact CG2-OH 3.31Å; V464-Y467 HydrophobicContact CG1-CD1 4.46Å; V464-Y467 HydrophobicContact CG1-CE1 3.84Å; V464-Y467 HydrophobicContact CG1-CE2 3.95Å; Y467-K486 WeakPolarHBondContact O-CA 3.33Å; Y467-T487 PolarHBondContact N-O 2.73Å; Y467-T487 PolarHBondContact O-N 3.46Å; Y467-V507 HydrophobicContact CD1-CG1 4.13Å; Y467-R508 WeakPolarHBondContact CA-O 3.37Å; Y467-A509 HydrophobicContact CD1-CB 4.03Å; Y467-A509 HydrophobicContact CE1-CB 3.87Å
468	E	91.6	Very high	74.7	Confident	18 Å²	18	67.8 Å²	67.8	8%	0.084	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.2	171.5	-171.1	176.3	-111.6	0	0	109.9	F484 K486 V507 R508 Y515	E468-F484 HydrophobicContact CG-CD1 4.23Å; E468-K486 HydrophobicContact CB-CG 4.46Å; E468-K486 HydrophobicContact CG-CG 4.19Å; E468-K486 WeakPolarHBondContact OE1-CE 3.32Å; E468-K486 IonicContact OE1-NZ 3.47Å; E468-V507 WeakPolarHBondContact O-CA 3.41Å; E468-R508 HydrophobicContact CB-CG 4.13Å; E468-R508 PolarHBondContact N-O 2.89Å; E468-R508 PolarHBondContact O-N 2.83Å; E468-R508 IonicContact OE2-CZ 3.68Å; E468-R508 IonicContact OE2-NE 3.6Å; E468-R508 PolarHBondContact OE2-NE 3.37Å; E468-R508 IonicContact OE2-NH2 3.8Å; E468-R508 PolarHBondContact OE2-NH2 3.05Å; E468-Y515 HydrophobicContact CB-CE1 4.2Å
469	V	89.9	Confident	74.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.1	179.3	-173.7	0	0	0	0	108.6	W454 F484 L485 A492 V505 Q506 V507	W454-V469 HydrophobicContact CH2-CG2 3.35Å; W454-V469 HydrophobicContact CZ2-CG2 4.15Å; W454-V469 HydrophobicContact CZ3-CG2 3.8Å; V469-F484 CarbonylContact O-C 3.5Å; V469-F484 VanDerWaalsContact O-CA 3.28Å; V469-F484 WeakPolarHBondContact O-CA 3.34Å; V469-L485 HydrophobicContact CB-CB 4.39Å; V469-L485 PolarHBondContact N-O 2.97Å; V469-L485 PolarHBondContact O-N 3.49Å; V469-A492 HydrophobicContact CG2-CB 4.29Å; V469-V505 HydrophobicContact CG1-CG1 3.54Å; V469-Q506 CarbonylContact C-O 3.16Å; V469-Q506 WeakPolarHBondContact CA-O 3.34Å; V469-V507 HydrophobicContact CG1-CG2 4.24Å; V469-V507 HydrophobicContact CG2-CG1 4.41Å; V469-V507 HydrophobicContact CG2-CG2 4.09Å
470	K	89.5	Confident	74.2	Confident	50 Å²	50	67 Å²	67	22%	0.217	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.4	174.5	178	-172.1	170.1	-153.4	0	108.7	V482 R483 F484 V505 Q506 F518	K470-V482 HydrophobicContact CD-CG1 4.09Å; K470-V482 HydrophobicContact CG-CG1 3.52Å; K470-R483 WeakPolarHBondContact CA-O 3.26Å; K470-F484 HydrophobicContact CB-CD1 3.89Å; K470-F484 HydrophobicContact CB-CE1 3.7Å; K470-F484 HydrophobicContact CD-CE1 3.9Å; K470-F484 HydrophobicContact CD-CZ 4.19Å; K470-F484 HydrophobicContact CG-CD1 4.13Å; K470-F484 HydrophobicContact CG-CE1 3.56Å; K470-F484 HydrophobicContact CG-CZ 3.98Å; K470-V505 CarbonylContact O-C 3.55Å; K470-V505 WeakPolarHBondContact O-CA 3.21Å; K470-Q506 HydrophobicContact CB-CB 4.47Å; K470-Q506 PolarHBondContact N-O 2.88Å; K470-Q506 PolarHBondContact O-N 3.18Å; K470-F518 HydrophobicContact CB-CD1 4.41Å; K470-F518 HydrophobicContact CB-CE1 3.8Å; K470-F518 HydrophobicContact CB-CZ 4.22Å; K470-F518 HydrophobicContact CD-CZ 4.43Å
471	Y	89.1	Confident	74.7	Confident	24 Å²	24	62.2 Å²	62.2	9%	0.094	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.2	177.4	70.5	-76.9	0	0	0	113.8	R483 L494 L497 Y503 L504	Y471-R483 HydrophobicContact CD1-CB 3.97Å; Y471-R483 WeakPolarHBondContact CD1-O 3.21Å; Y471-R483 HydrophobicContact CD2-CB 4.42Å; Y471-R483 HydrophobicContact CE1-CB 3.44Å; Y471-R483 VanDerWaalsContact CE1-CB 3.44Å; Y471-R483 HydrophobicContact CE2-CB 3.97Å; Y471-R483 HydrophobicContact CE2-CG 4.48Å; Y471-R483 HydrophobicContact CG-CB 4.43Å; Y471-R483 VanDerWaalsContact CZ-CB 3.45Å; Y471-R483 PolarHBondContact N-O 3.31Å; Y471-R483 PolarHBondContact O-N 3.15Å; Y471-R483 WeakPolarHBondContact OH-CD 3.42Å; Y471-L494 HydrophobicContact CD1-CD1 4.29Å; Y471-L494 HydrophobicContact CD1-CD2 3.81Å; Y471-L494 HydrophobicContact CD2-CD1 3.99Å; Y471-L494 HydrophobicContact CE1-CD2 3.75Å; Y471-L494 HydrophobicContact CE2-CD1 4.46Å; Y471-L494 HydrophobicContact CG-CD1 3.89Å; Y471-L494 HydrophobicContact CG-CD2 4.25Å; Y471-L497 HydrophobicContact CD2-CD2 4.39Å; Y471-L497 HydrophobicContact CE2-CD2 3.87Å; Y471-Y503 HydrophobicContact CD2-CD1 4.32Å; Y471-L504 WeakPolarHBondContact CA-O 3.28Å
472	H	87.3	Confident	75.8	Confident	34 Å²	34	59.3 Å²	59.3	16%	0.157	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	161.4	174.5	66.5	104.6	0	0	0	112	V482 Y503 L504	H472-V482 HydrophobicContact CB-CG2 4.36Å; H472-Y503 CarbonylContact O-C 3.54Å; H472-Y503 WeakPolarHBondContact O-CA 3.42Å; H472-Y503 WeakPolarHBondContact O-CD1 3.46Å; H472-L504 VanDerWaalsContact CE1-CD1 3.48Å; H472-L504 WeakPolarHBondContact CE1-CD1 3.27Å; H472-L504 PolarHBondContact N-O 3.05Å; H472-L504 PolarHBondContact O-N 3.37Å
473	E	84.1	Confident	76.7	Confident	55 Å²	55	64 Å²	64	26%	0.257	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.7	176.5	-173.4	176.9	-176	0	0	110.1	G475 A476 K498 Y503	E473-G475 PolarHBondContact O-N 3Å; E473-A476 HydrophobicContact CB-CB 4.22Å; E473-A476 PolarHBondContact O-N 3.23Å; E473-A476 VanDerWaalsContact O-N 3.15Å; E473-K498 IonicContact OE1-NZ 3.41Å; E473-K498 PolarHBondContact OE1-NZ 3.2Å; E473-K498 WeakPolarHBondContact OE2-CE 3.22Å; E473-K498 IonicContact OE2-NZ 3.52Å; E473-K498 PolarHBondContact OE2-NZ 3.44Å; E473-Y503 HydrophobicContact CB-CD1 4.25Å; E473-Y503 HydrophobicContact CB-CE1 3.88Å
474	K	78.2	Confident	77.5	Confident	126 Å²	126	65.5 Å²	65.5	55%	0.548	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	115.2	179.4	-172.6	-179	179.8	-177.5	0	109.3	S502 L504	K474-S502 WeakPolarHBondContact CB-O 3.23Å; K474-S502 PolarHBondContact N-O 2.96Å; K474-L504 HydrophobicContact CB-CG 4.46Å
475	G	71	Confident	77.8	Confident	77 Å²	77	66.8 Å²	66.8	79%	0.794	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	-0.2	-177.1	0	0	0	0	0	115	E473	E473-G475 PolarHBondContact O-N 3Å
476	A	68.1	Low	78	Confident	35 Å²	35	69 Å²	69	29%	0.289	38%	0.378	S	S	.	.			trans	-81.2	116.9	169.1	0	0	0	0	0	110.2	E473	E473-A476 HydrophobicContact CB-CB 4.22Å; E473-A476 PolarHBondContact O-N 3.23Å; E473-A476 VanDerWaalsContact O-N 3.15Å
477	E	56.5	Low	78.1	Confident	199 Å²	199	68.9 Å²	68.9	93%	0.93	38%	0.378	S	S	*	.			trans	-100.6	129.3	175.5	-69.8	-172.8	167.7	0	0	111
478	G	56.3	Low	77.9	Confident	35 Å²	35	73.1 Å²	73.1	36%	0.361	41%	0.409	S	S	.	.	S	Bend	trans	130.2	144.3	175.2	0	0	0	0	0	113.6	S480 S481	G478-S480 PolarHBondContact O-N 3.09Å; G478-S480 VanDerWaalsContact O-N 3.14Å; G478-S481 PolarHBondContact O-N 2.91Å; G478-S481 VanDerWaalsContact O-N 3.11Å; G478-S481 PolarHBondContact O-OG 3.39Å
479	P	55.6	Low	77.6	Confident	127 Å²	127	77.5 Å²	77.5	83%	0.825	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-65	-18.5	-174	23.9	-32.5	0	0	0	114.3	S481	P479-S481 VanDerWaalsContact C-N 3.34Å
480	S	57.8	Low	77.5	Confident	118 Å²	118	80.3 Å²	80.3	83%	0.825	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-79.3	-11.3	176.7	49	0	0	0	0	114.3	G478	G478-S480 PolarHBondContact O-N 3.09Å; G478-S480 VanDerWaalsContact O-N 3.14Å
481	S	68.1	Low	77.5	Confident	32 Å²	32	85.2 Å²	85.2	22%	0.224	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-85.9	-15.6	178.7	69.3	0	0	0	0	113.5	G478 P479	G478-S481 PolarHBondContact O-N 2.91Å; G478-S481 VanDerWaalsContact O-N 3.11Å; G478-S481 PolarHBondContact O-OG 3.39Å; P479-S481 VanDerWaalsContact C-N 3.34Å
482	V	79	Confident	77.5	Confident	37 Å²	37	84.6 Å²	84.6	22%	0.224	46%	0.462	C	S	.	.			trans	-85	125.7	-178.4	-175.4	0	0	0	0	110.2	K470 H472 F484	K470-V482 HydrophobicContact CD-CG1 4.09Å; K470-V482 HydrophobicContact CG-CG1 3.52Å; H472-V482 HydrophobicContact CB-CG2 4.36Å; V482-F484 HydrophobicContact CB-CE2 4.38Å; V482-F484 HydrophobicContact CG1-CD2 4.38Å; V482-F484 HydrophobicContact CG1-CE1 4.43Å; V482-F484 HydrophobicContact CG1-CE2 3.65Å; V482-F484 HydrophobicContact CG1-CZ 3.68Å
483	R	83.1	Confident	77.6	Confident	139 Å²	139	86.6 Å²	86.6	53%	0.525	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.6	178	-63.1	-174	-177.2	-173.9	2.9	110.4	K470 Y471	K470-R483 WeakPolarHBondContact CA-O 3.26Å; Y471-R483 HydrophobicContact CD1-CB 3.97Å; Y471-R483 WeakPolarHBondContact CD1-O 3.21Å; Y471-R483 HydrophobicContact CD2-CB 4.42Å; Y471-R483 HydrophobicContact CE1-CB 3.44Å; Y471-R483 VanDerWaalsContact CE1-CB 3.44Å; Y471-R483 HydrophobicContact CE2-CB 3.97Å; Y471-R483 HydrophobicContact CE2-CG 4.48Å; Y471-R483 HydrophobicContact CG-CB 4.43Å; Y471-R483 VanDerWaalsContact CZ-CB 3.45Å; Y471-R483 PolarHBondContact N-O 3.31Å; Y471-R483 PolarHBondContact O-N 3.15Å; Y471-R483 WeakPolarHBondContact OH-CD 3.42Å
484	F	86.1	Confident	77.9	Confident	114 Å²	114	84 Å²	84	50%	0.5	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.9	179.1	-63.3	-90.2	0	0	0	110.5	E468 V469 K470 V482 F518	E468-F484 HydrophobicContact CG-CD1 4.23Å; V469-F484 CarbonylContact O-C 3.5Å; V469-F484 VanDerWaalsContact O-CA 3.28Å; V469-F484 WeakPolarHBondContact O-CA 3.34Å; K470-F484 HydrophobicContact CB-CD1 3.89Å; K470-F484 HydrophobicContact CB-CE1 3.7Å; K470-F484 HydrophobicContact CD-CE1 3.9Å; K470-F484 HydrophobicContact CD-CZ 4.19Å; K470-F484 HydrophobicContact CG-CD1 4.13Å; K470-F484 HydrophobicContact CG-CE1 3.56Å; K470-F484 HydrophobicContact CG-CZ 3.98Å; V482-F484 HydrophobicContact CB-CE2 4.38Å; V482-F484 HydrophobicContact CG1-CD2 4.38Å; V482-F484 HydrophobicContact CG1-CE1 4.43Å; V482-F484 HydrophobicContact CG1-CE2 3.65Å; V482-F484 HydrophobicContact CG1-CZ 3.68Å; F484-F518 HydrophobicContact CE1-CZ 4.15Å
485	L	86.6	Confident	78.3	Confident	61 Å²	61	86.3 Å²	86.3	32%	0.319	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127	175.7	178	68.4	0	0	0	108.9	V469 A492 L494	V469-L485 HydrophobicContact CB-CB 4.39Å; V469-L485 PolarHBondContact N-O 2.97Å; V469-L485 PolarHBondContact O-N 3.49Å; L485-A492 HydrophobicContact CD2-CB 3.86Å; L485-L494 HydrophobicContact CD2-CD2 3.94Å
486	K	85.9	Confident	78.7	Confident	127 Å²	127	85.4 Å²	85.4	55%	0.552	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.1	175.1	-67.7	-175.9	178.6	-178.1	0	110.4	Y467 E468	Y467-K486 WeakPolarHBondContact O-CA 3.33Å; E468-K486 HydrophobicContact CB-CG 4.46Å; E468-K486 HydrophobicContact CG-CG 4.19Å; E468-K486 WeakPolarHBondContact OE1-CE 3.32Å; E468-K486 IonicContact OE1-NZ 3.47Å
487	T	86.4	Confident	79.5	Confident	27 Å²	27	84.2 Å²	84.2	17%	0.166	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	141	176.9	-179.5	0	0	0	0	110.3	W454 Y467 E489 R491 A492	W454-T487 HydrophobicContact CH2-CG2 3.68Å; W454-T487 HydrophobicContact CZ2-CG2 3.7Å; Y467-T487 PolarHBondContact N-O 2.73Å; Y467-T487 PolarHBondContact O-N 3.46Å; T487-E489 VanDerWaalsContact C-N 3.33Å; T487-E489 WeakPolarHBondContact CG2-O 3.48Å; T487-E489 PolarHBondContact OG1-N 3.49Å; T487-E489 VanDerWaalsContact OG1-N 3.13Å; T487-E489 PolarHBondContact OG1-O 2.94Å; T487-R491 PolarHBondContact OG1-O 3.35Å; T487-A492 HydrophobicContact CG2-CB 4.33Å
488	S	84.8	Confident	80.6	Confident	101 Å²	101	80.5 Å²	80.5	71%	0.706	43%	0.425	S	S	*	.	S	Bend	trans	-84.5	-11.5	170.7	49.7	0	0	0	0	112.3
489	E	86.7	Confident	81.7	Confident	109 Å²	109	88 Å²	88	51%	0.509	44%	0.442	S	S	.	.	S	Bend	trans	-99.2	157.2	177.5	-60.3	-172.8	-176.1	0	0	111.4	T487 R491	T487-E489 VanDerWaalsContact C-N 3.33Å; T487-E489 WeakPolarHBondContact CG2-O 3.48Å; T487-E489 PolarHBondContact OG1-N 3.49Å; T487-E489 VanDerWaalsContact OG1-N 3.13Å; T487-E489 PolarHBondContact OG1-O 2.94Å; E489-R491 HydrophobicContact CB-CG 4.08Å; E489-R491 PolarHBondContact O-N 2.96Å; E489-R491 WeakPolarHBondContact OE2-CD 3.32Å; E489-R491 WeakPolarHBondContact OE2-CG 3.31Å; E489-R491 IonicContact OE2-NE 3.39Å
490	N	88.2	Confident	82.7	Confident	59 Å²	59	82.7 Å²	82.7	32%	0.316	41%	0.411	S	S	.	.	S	Bend	trans	-78.8	26.1	174.7	72.9	-43.9	0	0	0	113.7	A453 W454 V456	A453-N490 WeakPolarHBondContact CA-O 3.18Å; W454-N490 PolarHBondContact N-O 3.45Å; W454-N490 PolarHBondContact O-ND2 2.98Å; V456-N490 HydrophobicContact CG2-CB 4.02Å
491	R	88.8	Confident	83.8	Confident	153 Å²	153	77.8 Å²	77.8	58%	0.577	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.1	179.4	69.7	-177.7	82.3	-169.6	7.1	110.7	L452 A453 T487 E489	L452-R491 CarbonylContact O-C 3.58Å; L452-R491 WeakPolarHBondContact O-CA 3.18Å; L452-R491 WeakPolarHBondContact O-CB 3.42Å; A453-R491 HydrophobicContact CB-CB 4.27Å; T487-R491 PolarHBondContact OG1-O 3.35Å; E489-R491 HydrophobicContact CB-CG 4.08Å; E489-R491 PolarHBondContact O-N 2.96Å; E489-R491 WeakPolarHBondContact OE2-CD 3.32Å; E489-R491 WeakPolarHBondContact OE2-CG 3.31Å; E489-R491 IonicContact OE2-NE 3.39Å
492	A	89.6	Confident	84.6	Confident	12 Å²	12	78.4 Å²	78.4	10%	0.099	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	149	178	0	0	0	0	0	112.5	L452 W454 V469 L485 T487	L452-A492 PolarHBondContact N-O 3.09Å; L452-A492 PolarHBondContact O-N 3.17Å; W454-A492 HydrophobicContact CH2-CB 3.86Å; W454-A492 HydrophobicContact CZ3-CB 4.07Å; V469-A492 HydrophobicContact CG2-CB 4.29Å; L485-A492 HydrophobicContact CD2-CB 3.86Å; T487-A492 HydrophobicContact CG2-CB 4.33Å
493	E	89.2	Confident	85	Confident	76 Å²	76	77.5 Å²	77.5	36%	0.355	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.1	173.7	-172.4	-174.7	-174.7	0	0	110.9	R495	E493-R495 VanDerWaalsContact CD-NE 3.26Å; E493-R495 HydrophobicContact CG-CG 4.01Å; E493-R495 IonicContact OE1-CZ 3.95Å; E493-R495 IonicContact OE1-NE 3.45Å; E493-R495 PolarHBondContact OE1-NE 3.19Å; E493-R495 IonicContact OE1-NH2 3.81Å; E493-R495 IonicContact OE2-CZ 3.22Å; E493-R495 VanDerWaalsContact OE2-CZ 3.22Å; E493-R495 IonicContact OE2-NE 2.9Å; E493-R495 PolarHBondContact OE2-NE 3.19Å; E493-R495 IonicContact OE2-NH2 2.7Å; E493-R495 PolarHBondContact OE2-NH2 2.92Å
494	L	89.6	Confident	85.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.2	174.4	-52.3	-176.5	0	0	0	109	S449 L450 L452 Y471 L485 L497 V505	S449-L494 CarbonylContact C-O 3.59Å; S449-L494 WeakPolarHBondContact CA-O 3.03Å; S449-L494 VanDerWaalsContact CB-O 3.28Å; S449-L494 WeakPolarHBondContact CB-O 3.06Å; L450-L494 HydrophobicContact CB-CB 4.42Å; L450-L494 PolarHBondContact N-O 2.82Å; L450-L494 PolarHBondContact O-N 2.93Å; L452-L494 HydrophobicContact CD1-CD1 3.73Å; L452-L494 HydrophobicContact CD1-CG 4.06Å; Y471-L494 HydrophobicContact CD1-CD1 4.29Å; Y471-L494 HydrophobicContact CD1-CD2 3.81Å; Y471-L494 HydrophobicContact CD2-CD1 3.99Å; Y471-L494 HydrophobicContact CE1-CD2 3.75Å; Y471-L494 HydrophobicContact CE2-CD1 4.46Å; Y471-L494 HydrophobicContact CG-CD1 3.89Å; Y471-L494 HydrophobicContact CG-CD2 4.25Å; L485-L494 HydrophobicContact CD2-CD2 3.94Å; L494-L497 HydrophobicContact CB-CD1 4.05Å; L494-L497 HydrophobicContact CB-CD2 4.43Å; L494-V505 HydrophobicContact CD1-CG2 4.13Å
495	R	86.1	Confident	85.5	Confident	173 Å²	173	66.3 Å²	66.3	65%	0.653	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	158.4	-178.1	-61.8	-176.7	177.3	-157.3	-0.5	112.1	E493	E493-R495 VanDerWaalsContact CD-NE 3.26Å; E493-R495 HydrophobicContact CG-CG 4.01Å; E493-R495 IonicContact OE1-CZ 3.95Å; E493-R495 IonicContact OE1-NE 3.45Å; E493-R495 PolarHBondContact OE1-NE 3.19Å; E493-R495 IonicContact OE1-NH2 3.81Å; E493-R495 IonicContact OE2-CZ 3.22Å; E493-R495 VanDerWaalsContact OE2-CZ 3.22Å; E493-R495 IonicContact OE2-NE 2.9Å; E493-R495 PolarHBondContact OE2-NE 3.19Å; E493-R495 IonicContact OE2-NH2 2.7Å; E493-R495 PolarHBondContact OE2-NH2 2.92Å
496	G	80.1	Confident	85.6	Confident	59 Å²	59	64.8 Å²	64.8	61%	0.608	32%	0.321	S	S	*	.	S	Bend	trans	73.9	33	176.1	0	0	0	0	0	113.5	S448	S448-G496 PolarHBondContact O-N 2.79Å
497	L	85.1	Confident	85.8	Confident	9 Å²	9	58.7 Å²	58.7	5%	0.047	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-83.6	154	178.5	-56.7	-179.1	0	0	0	111	S448 L450 Y471 L494 Y503 T526	S448-L497 WeakPolarHBondContact CA-O 3.4Å; S448-L497 PolarHBondContact O-N 2.91Å; L450-L497 HydrophobicContact CB-CD1 3.9Å; L450-L497 HydrophobicContact CD1-CD1 3.64Å; L450-L497 HydrophobicContact CG-CD1 3.6Å; Y471-L497 HydrophobicContact CD2-CD2 4.39Å; Y471-L497 HydrophobicContact CE2-CD2 3.87Å; L494-L497 HydrophobicContact CB-CD1 4.05Å; L494-L497 HydrophobicContact CB-CD2 4.43Å; L497-Y503 HydrophobicContact CB-CE2 3.75Å; L497-Y503 HydrophobicContact CD1-CD2 4.26Å; L497-Y503 HydrophobicContact CD1-CE2 4.24Å; L497-Y503 HydrophobicContact CD2-CD1 4.24Å; L497-Y503 HydrophobicContact CD2-CD2 4.46Å; L497-Y503 HydrophobicContact CD2-CE1 3.82Å; L497-Y503 HydrophobicContact CD2-CE2 4.05Å; L497-Y503 HydrophobicContact CG-CE2 4.22Å; L497-T526 HydrophobicContact CB-CG2 3.94Å; L497-T526 HydrophobicContact CD1-CG2 4.05Å
498	K	79.8	Confident	85.9	Confident	121 Å²	121	60.3 Å²	60.3	53%	0.526	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-70.6	143.9	175.7	-71.3	179.6	-176.9	165.8	0	110.5	E473 A501 Y503 T526	E473-K498 IonicContact OE1-NZ 3.41Å; E473-K498 PolarHBondContact OE1-NZ 3.2Å; E473-K498 WeakPolarHBondContact OE2-CE 3.22Å; E473-K498 IonicContact OE2-NZ 3.52Å; E473-K498 PolarHBondContact OE2-NZ 3.44Å; K498-A501 HydrophobicContact CB-CB 3.78Å; K498-Y503 PolarHBondContact N-OH 2.98Å; K498-T526 PolarHBondContact O-OG1 2.85Å
499	R	79.9	Confident	85.9	Confident	193 Å²	193	55.5 Å²	55.5	73%	0.728	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	131.9	179.7	-62	177.6	178.9	-179.3	-1.2	110.4	P447 A501	P447-R499 HydrophobicContact CB-CG 4.14Å; P447-R499 VanDerWaalsContact O-CA 3.24Å; P447-R499 WeakPolarHBondContact O-CA 3.5Å; P447-R499 VanDerWaalsContact O-CG 3.26Å; P447-R499 WeakPolarHBondContact O-CG 3.14Å; R499-A501 PolarHBondContact O-N 3.44Å
500	G	75.3	Confident	85.8	Confident	16 Å²	16	53.7 Å²	53.7	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	1.3	-179.3	0	0	0	0	0	117	Q525 T526	G500-Q525 PolarHBondContact O-NE2 3.18Å; G500-T526 WeakPolarHBondContact CA-O 3.47Å; G500-T526 PolarHBondContact N-OG1 3.02Å
501	A	82	Confident	85.2	Confident	14 Å²	14	51.4 Å²	51.4	12%	0.116	24%	0.242	C	C	.	.			trans	-86.3	148.9	-173.2	0	0	0	0	0	112.8	K498 R499 Y503 T526	K498-A501 HydrophobicContact CB-CB 3.78Å; R499-A501 PolarHBondContact O-N 3.44Å; A501-Y503 HydrophobicContact CB-CE2 3.96Å; A501-T526 PolarHBondContact N-OG1 3.41Å; A501-T526 VanDerWaalsContact N-OG1 3.16Å; A501-T526 PolarHBondContact O-N 2.88Å; A501-T526 PolarHBondContact O-OG1 3.22Å
502	S	85.1	Confident	84.4	Confident	45 Å²	45	53.1 Å²	53.1	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134	176	-69.1	0	0	0	0	111.5	K474 S524	K474-S502 WeakPolarHBondContact CB-O 3.23Å; K474-S502 PolarHBondContact N-O 2.96Å; S502-S524 WeakPolarHBondContact CA-O 3.09Å
503	Y	87.7	Confident	83.2	Confident	18 Å²	18	55.7 Å²	55.7	7%	0.071	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	143.1	178.9	-71.8	-90.6	0	0	0	111.5	Y471 H472 E473 L497 K498 A501 S524	Y471-Y503 HydrophobicContact CD2-CD1 4.32Å; H472-Y503 CarbonylContact O-C 3.54Å; H472-Y503 WeakPolarHBondContact O-CA 3.42Å; H472-Y503 WeakPolarHBondContact O-CD1 3.46Å; E473-Y503 HydrophobicContact CB-CD1 4.25Å; E473-Y503 HydrophobicContact CB-CE1 3.88Å; L497-Y503 HydrophobicContact CB-CE2 3.75Å; L497-Y503 HydrophobicContact CD1-CD2 4.26Å; L497-Y503 HydrophobicContact CD1-CE2 4.24Å; L497-Y503 HydrophobicContact CD2-CD1 4.24Å; L497-Y503 HydrophobicContact CD2-CD2 4.46Å; L497-Y503 HydrophobicContact CD2-CE1 3.82Å; L497-Y503 HydrophobicContact CD2-CE2 4.05Å; L497-Y503 HydrophobicContact CG-CE2 4.22Å; K498-Y503 PolarHBondContact N-OH 2.98Å; A501-Y503 HydrophobicContact CB-CE2 3.96Å; Y503-S524 PolarHBondContact N-O 2.93Å; Y503-S524 PolarHBondContact O-N 3.18Å
504	L	89.1	Confident	82.1	Confident	18 Å²	18	53.2 Å²	53.2	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.1	171.3	-66.6	171.4	0	0	0	108.8	Y471 H472 K474 E521 H523	Y471-L504 WeakPolarHBondContact CA-O 3.28Å; H472-L504 VanDerWaalsContact CE1-CD1 3.48Å; H472-L504 WeakPolarHBondContact CE1-CD1 3.27Å; H472-L504 PolarHBondContact N-O 3.05Å; H472-L504 PolarHBondContact O-N 3.37Å; K474-L504 HydrophobicContact CB-CG 4.46Å; L504-E521 HydrophobicContact CD2-CB 4.48Å; L504-H523 WeakPolarHBondContact CD2-CE1 3.35Å; L504-H523 WeakPolarHBondContact CD2-ND1 3.23Å
505	V	89.1	Confident	81.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.3	-176.6	-170.1	0	0	0	0	111.4	L452 V469 K470 L494 H522	L452-V505 HydrophobicContact CD1-CB 4.43Å; L452-V505 HydrophobicContact CD1-CG1 3.73Å; L452-V505 HydrophobicContact CD1-CG2 4.22Å; V469-V505 HydrophobicContact CG1-CG1 3.54Å; K470-V505 CarbonylContact O-C 3.55Å; K470-V505 WeakPolarHBondContact O-CA 3.21Å; L494-V505 HydrophobicContact CD1-CG2 4.13Å; V505-H522 PolarHBondContact N-O 2.87Å; V505-H522 PolarHBondContact O-N 2.9Å
506	Q	89.8	Confident	80.7	Confident	29 Å²	29	48.2 Å²	48.2	14%	0.136	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.2	174.1	-60.2	-178.1	-74.8	0	0	110.5	V469 K470 F518 G519 E521	V469-Q506 CarbonylContact C-O 3.16Å; V469-Q506 WeakPolarHBondContact CA-O 3.34Å; K470-Q506 HydrophobicContact CB-CB 4.47Å; K470-Q506 PolarHBondContact N-O 2.88Å; K470-Q506 PolarHBondContact O-N 3.18Å; Q506-F518 HydrophobicContact CB-CB 4.32Å; Q506-F518 HydrophobicContact CB-CD1 4Å; Q506-F518 HydrophobicContact CB-CG 4.49Å; Q506-G519 PolarHBondContact NE2-O 2.77Å; Q506-E521 HydrophobicContact CG-CB 4.38Å; Q506-E521 HydrophobicContact CG-CG 3.71Å
507	V	90	Very high	80.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.5	178.3	-172.4	0	0	0	0	110.1	V437 I440 W454 Y467 E468 V469 G519	V437-V507 HydrophobicContact CB-CB 4.22Å; V437-V507 HydrophobicContact CB-CG1 4.32Å; V437-V507 HydrophobicContact CG1-CB 4.07Å; V437-V507 HydrophobicContact CG1-CG1 4.09Å; V437-V507 HydrophobicContact CG2-CG1 4.24Å; I440-V507 HydrophobicContact CD1-CB 4.37Å; I440-V507 HydrophobicContact CD1-CG2 3.78Å; I440-V507 HydrophobicContact CG1-CG2 4.16Å; W454-V507 HydrophobicContact CD2-CG1 4.02Å; W454-V507 HydrophobicContact CD2-CG2 4.12Å; W454-V507 HydrophobicContact CE3-CG1 4.49Å; W454-V507 HydrophobicContact CE3-CG2 3.87Å; W454-V507 HydrophobicContact CG-CG1 4.47Å; W454-V507 HydrophobicContact CH2-CG1 4.37Å; W454-V507 HydrophobicContact CH2-CG2 4.48Å; W454-V507 HydrophobicContact CZ2-CG1 3.89Å; W454-V507 HydrophobicContact CZ3-CG2 4.06Å; Y467-V507 HydrophobicContact CD1-CG1 4.13Å; E468-V507 WeakPolarHBondContact O-CA 3.41Å; V469-V507 HydrophobicContact CG1-CG2 4.24Å; V469-V507 HydrophobicContact CG2-CG1 4.41Å; V469-V507 HydrophobicContact CG2-CG2 4.09Å; V507-G519 PolarHBondContact O-N 2.87Å
508	R	87.9	Confident	80.5	Confident	60 Å²	60	51.5 Å²	51.5	23%	0.226	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	154.5	168.1	66.9	179	177.2	172.8	-0.9	111.8	Y467 E468 Y515 F518	Y467-R508 WeakPolarHBondContact CA-O 3.37Å; E468-R508 HydrophobicContact CB-CG 4.13Å; E468-R508 PolarHBondContact N-O 2.89Å; E468-R508 PolarHBondContact O-N 2.83Å; E468-R508 IonicContact OE2-CZ 3.68Å; E468-R508 IonicContact OE2-NE 3.6Å; E468-R508 PolarHBondContact OE2-NE 3.37Å; E468-R508 IonicContact OE2-NH2 3.8Å; E468-R508 PolarHBondContact OE2-NH2 3.05Å; R508-Y515 HydrophobicContact CG-CD1 3.97Å; R508-F518 HydrophobicContact CB-CD1 3.79Å; R508-F518 HydrophobicContact CB-CE1 4.07Å; R508-F518 HydrophobicContact CB-CG 4.13Å; R508-F518 VanDerWaalsContact CD-CZ 3.44Å; R508-F518 HydrophobicContact CG-CD1 3.83Å; R508-F518 HydrophobicContact CG-CE1 3.56Å; R508-F518 HydrophobicContact CG-CE2 4.38Å; R508-F518 HydrophobicContact CG-CG 4.35Å; R508-F518 HydrophobicContact CG-CZ 3.86Å; R508-F518 VanDerWaalsContact NE-CZ 3.3Å
509	A	84.4	Confident	80.5	Confident	1 Å²	1	46 Å²	46	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.7	178.2	0	0	0	0	0	111.3	V437 P457 V464 Y467 G516	V437-A509 HydrophobicContact CG2-CB 3.84Å; P457-A509 HydrophobicContact CG-CB 3.77Å; V464-A509 HydrophobicContact CG1-CB 3.76Å; V464-A509 HydrophobicContact CG2-CB 4.24Å; Y467-A509 HydrophobicContact CD1-CB 4.03Å; Y467-A509 HydrophobicContact CE1-CB 3.87Å; A509-G516 PolarHBondContact O-N 3.17Å
510	R	84.2	Confident	80.5	Confident	71 Å²	71	45.2 Å²	45.2	27%	0.268	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.6	177.1	-172.1	170.5	63.3	89	-1.8	112.5	L465 D466 Y515	L465-R510 PolarHBondContact N-O 2.86Å; D466-R510 VanDerWaalsContact CG-NH2 3.3Å; D466-R510 PolarHBondContact O-N 3.04Å; D466-R510 VanDerWaalsContact OD1-CB 3.31Å; D466-R510 WeakPolarHBondContact OD1-CB 3.47Å; D466-R510 IonicContact OD1-CZ 3.46Å; D466-R510 IonicContact OD1-NE 2.86Å; D466-R510 PolarHBondContact OD1-NE 3.41Å; D466-R510 IonicContact OD1-NH2 3.92Å; D466-R510 PolarHBondContact OD1-NH2 2.82Å; D466-R510 IonicContact OD2-CZ 2.7Å; D466-R510 IonicContact OD2-NE 2.71Å; D466-R510 PolarHBondContact OD2-NE 3.38Å; D466-R510 IonicContact OD2-NH2 3.68Å; D466-R510 PolarHBondContact OD2-NH2 2.88Å; R510-Y515 HydrophobicContact CB-CD1 3.71Å; R510-Y515 HydrophobicContact CB-CE1 3.78Å; R510-Y515 HydrophobicContact CB-CG 4.28Å; R510-Y515 VanDerWaalsContact CD-CZ 3.48Å; R510-Y515 HydrophobicContact CG-CD1 4.13Å; R510-Y515 HydrophobicContact CG-CD2 4.4Å; R510-Y515 HydrophobicContact CG-CE1 4.21Å; R510-Y515 HydrophobicContact CG-CE2 4.46Å; R510-Y515 HydrophobicContact CG-CG 4.23Å
511	S	77.1	Confident	80.9	Confident	11 Å²	11	48.7 Å²	48.7	8%	0.077	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-176.3	167.6	70	0	0	0	0	110.9	P434 A513 G514	P434-S511 VanDerWaalsContact CD-OG 3.27Å; P434-S511 WeakPolarHBondContact CD-OG 3.42Å; P434-S511 VanDerWaalsContact CG-CB 3.42Å; P434-S511 VanDerWaalsContact CG-OG 3.25Å; P434-S511 WeakPolarHBondContact CG-OG 3.28Å; S511-A513 PolarHBondContact O-N 3.27Å; S511-A513 PolarHBondContact OG-N 3.25Å; S511-G514 PolarHBondContact N-O 2.93Å; S511-G514 PolarHBondContact O-N 3.3Å
512	E	71.1	Confident	80.9	Confident	189 Å²	189	50.8 Å²	50.8	88%	0.883	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.8	172.6	-66	-170.9	167.3	0	0	113.2	L465 G514	L465-E512 HydrophobicContact CD1-CG 4.43Å; E512-G514 VanDerWaalsContact C-N 3.26Å; E512-G514 PolarHBondContact O-N 2.87Å
513	A	63.9	Low	81	Confident	65 Å²	65	54.1 Å²	54.1	54%	0.537	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8	176.7	0	0	0	0	0	113.8	V433 S511	V433-A513 HydrophobicContact CG1-CB 4.03Å; V433-A513 WeakPolarHBondContact CG1-O 3.35Å; S511-A513 PolarHBondContact O-N 3.27Å; S511-A513 PolarHBondContact OG-N 3.25Å
514	G	66.6	Low	80.6	Confident	25 Å²	25	53.7 Å²	53.7	26%	0.258	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.2	-169.5	179.9	0	0	0	0	0	114.3	S511 E512	S511-G514 PolarHBondContact N-O 2.93Å; S511-G514 PolarHBondContact O-N 3.3Å; E512-G514 VanDerWaalsContact C-N 3.26Å; E512-G514 PolarHBondContact O-N 2.87Å
515	Y	72.4	Confident	80.3	Confident	66 Å²	66	58 Å²	58	26%	0.259	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.2	179.9	-75.2	-81.6	0	0	0	111.2	E468 R508 R510	E468-Y515 HydrophobicContact CB-CE1 4.2Å; R508-Y515 HydrophobicContact CG-CD1 3.97Å; R510-Y515 HydrophobicContact CB-CD1 3.71Å; R510-Y515 HydrophobicContact CB-CE1 3.78Å; R510-Y515 HydrophobicContact CB-CG 4.28Å; R510-Y515 VanDerWaalsContact CD-CZ 3.48Å; R510-Y515 HydrophobicContact CG-CD1 4.13Å; R510-Y515 HydrophobicContact CG-CD2 4.4Å; R510-Y515 HydrophobicContact CG-CE1 4.21Å; R510-Y515 HydrophobicContact CG-CE2 4.46Å; R510-Y515 HydrophobicContact CG-CG 4.23Å
516	G	74	Confident	80	Confident	3 Å²	3	58.2 Å²	58.2	3%	0.031	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-70.5	171.8	164.4	0	0	0	0	0	112.6	P434 A509	P434-G516 WeakPolarHBondContact O-CA 3.46Å; A509-G516 PolarHBondContact O-N 3.17Å
517	P	78.4	Confident	79.3	Confident	77 Å²	77	62.3 Å²	62.3	50%	0.5	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-63.9	155.1	174.1	26.7	-32.2	0	0	0	112.2	P434 A436	P434-P517 WeakPolarHBondContact O-CD 3.48Å; A436-P517 HydrophobicContact CB-CG 4.2Å
518	F	82.8	Confident	78.1	Confident	60 Å²	60	68.5 Å²	68.5	26%	0.263	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.3	142	171.9	-78.2	-78.9	0	0	0	111.5	K470 F484 Q506 R508	K470-F518 HydrophobicContact CB-CD1 4.41Å; K470-F518 HydrophobicContact CB-CE1 3.8Å; K470-F518 HydrophobicContact CB-CZ 4.22Å; K470-F518 HydrophobicContact CD-CZ 4.43Å; F484-F518 HydrophobicContact CE1-CZ 4.15Å; Q506-F518 HydrophobicContact CB-CB 4.32Å; Q506-F518 HydrophobicContact CB-CD1 4Å; Q506-F518 HydrophobicContact CB-CG 4.49Å; R508-F518 HydrophobicContact CB-CD1 3.79Å; R508-F518 HydrophobicContact CB-CE1 4.07Å; R508-F518 HydrophobicContact CB-CG 4.13Å; R508-F518 VanDerWaalsContact CD-CZ 3.44Å; R508-F518 HydrophobicContact CG-CD1 3.83Å; R508-F518 HydrophobicContact CG-CE1 3.56Å; R508-F518 HydrophobicContact CG-CE2 4.38Å; R508-F518 HydrophobicContact CG-CG 4.35Å; R508-F518 HydrophobicContact CG-CZ 3.86Å; R508-F518 VanDerWaalsContact NE-CZ 3.3Å
519	G	79.4	Confident	76.3	Confident	4 Å²	4	72.3 Å²	72.3	4%	0.041	37%	0.368	C	S	.	.			trans	-67.4	174.2	171.9	0	0	0	0	0	114.2	V437 Q506 V507	V437-G519 VanDerWaalsContact O-CA 3.31Å; V437-G519 WeakPolarHBondContact O-CA 3.5Å; Q506-G519 PolarHBondContact NE2-O 2.77Å; V507-G519 PolarHBondContact O-N 2.87Å
520	Q	79.6	Confident	74.7	Confident	178 Å²	178	81.7 Å²	81.7	83%	0.832	41%	0.412	S	S	*	.			trans	-61.9	147.7	176.6	-167.8	177	17	0	0	111.4	H522	Q520-H522 PolarHBondContact O-N 3.41Å
521	E	83.4	Confident	72.8	Confident	88 Å²	88	85.7 Å²	85.7	41%	0.411	44%	0.439	S	S	.	.			trans	-65.6	125.3	178.4	-63.9	-175.3	160.8	0	0	111.8	L504 Q506	L504-E521 HydrophobicContact CD2-CB 4.48Å; Q506-E521 HydrophobicContact CG-CB 4.38Å; Q506-E521 HydrophobicContact CG-CG 3.71Å
522	H	83.9	Confident	70.9	Confident	59 Å²	59	93.2 Å²	93.2	27%	0.273	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.5	175.2	-168.5	77.3	0	0	0	110.8	I440 V505 Q520 S524	I440-H522 HydrophobicContact CB-CB 4.07Å; I440-H522 HydrophobicContact CD1-CB 4.06Å; I440-H522 HydrophobicContact CG2-CB 4.2Å; I440-H522 PolarHBondContact O-CE1 3.26Å; I440-H522 PolarHBondContact O-ND1 3.16Å; I440-H522 PolarHBondContact O-NE2 3.05Å; V505-H522 PolarHBondContact N-O 2.87Å; V505-H522 PolarHBondContact O-N 2.9Å; Q520-H522 PolarHBondContact O-N 3.41Å; H522-S524 PolarHBondContact CD2-OG 2.87Å
523	H	85.3	Confident	69.6	Low	115 Å²	115	87.2 Å²	87.2	53%	0.532	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.3	-176.8	-64.1	-99.7	0	0	0	111.3	L504	L504-H523 WeakPolarHBondContact CD2-CE1 3.35Å; L504-H523 WeakPolarHBondContact CD2-ND1 3.23Å
524	S	80.6	Confident	69	Low	8 Å²	8	95.4 Å²	95.4	6%	0.056	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.4	-179.6	-57	0	0	0	0	112	V442 S502 Y503 H522	V442-S524 WeakPolarHBondContact CG2-OG 3.41Å; S502-S524 WeakPolarHBondContact CA-O 3.09Å; Y503-S524 PolarHBondContact N-O 2.93Å; Y503-S524 PolarHBondContact O-N 3.18Å; H522-S524 PolarHBondContact CD2-OG 2.87Å
525	Q	82.2	Confident	67.7	Low	110 Å²	110	105.8 Å²	105.8	51%	0.514	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	141.9	-178.2	-168	178.6	4.9	0	0	112.4	S445 G500	S445-Q525 PolarHBondContact OG-O 2.88Å; S445-Q525 VanDerWaalsContact OG-O 3.05Å; G500-Q525 PolarHBondContact O-NE2 3.18Å
526	T	82.7	Confident	66.4	Low	4 Å²	4	111.9 Å²	111.9	3%	0.025	54%	0.541	C	S	.	.			trans	-82.8	150.8	172.8	51.8	0	0	0	0	111.8	S446 L450 L497 K498 G500 A501	S446-T526 WeakPolarHBondContact O-CB 3.06Å; L450-T526 HydrophobicContact CD1-CG2 4.46Å; L450-T526 HydrophobicContact CD2-CG2 4.38Å; L450-T526 HydrophobicContact CG-CG2 4.1Å; L497-T526 HydrophobicContact CB-CG2 3.94Å; L497-T526 HydrophobicContact CD1-CG2 4.05Å; K498-T526 PolarHBondContact O-OG1 2.85Å; G500-T526 WeakPolarHBondContact CA-O 3.47Å; G500-T526 PolarHBondContact N-OG1 3.02Å; A501-T526 PolarHBondContact N-OG1 3.41Å; A501-T526 VanDerWaalsContact N-OG1 3.16Å; A501-T526 PolarHBondContact O-N 2.88Å; A501-T526 PolarHBondContact O-OG1 3.22Å
527	Q	75.3	Confident	64.8	Low	115 Å²	115	120.2 Å²	120.2	54%	0.537	58%	0.579	S	S	.	*			trans	-70	153.5	-176.1	-69.8	179.7	-30.1	0	0	113.6	S445 S446	S445-Q527 PolarHBondContact O-OE1 3.35Å; S446-Q527 PolarHBondContact O-N 2.89Å
528	L	64.9	Low	63.1	Low	129 Å²	129	125.4 Å²	125.4	68%	0.675	60%	0.601	S	S	*	*			trans	-112.3	138.2	173.9	-75.5	164.3	0	0	0	109.9
529	D	51.2	Low	61.1	Low	141 Å²	141	127.5 Å²	127.5	75%	0.754	63%	0.63	S	S	*	*			trans	-83.4	134.8	173.4	-80.1	-32	0	0	0	111.1	N531	D529-N531 PolarHBondContact O-N 2.94Å
530	E	50.9	Low	59.4	Low	198 Å²	198	135 Å²	135	93%	0.925	67%	0.669	S	S	*	*			trans	-79.2	97.2	176.2	-69.9	-175.3	134.6	0	0	111.8
531	N	42.9	Very low	58	Low	155 Å²	155	134.4 Å²	134.4	83%	0.829	67%	0.669	S	S	*	*			trans	-173.7	153.3	143.9	-128.1	-9.1	0	0	0	110.5	D529	D529-N531 PolarHBondContact O-N 2.94Å
532	E	37.7	Very low	56.1	Low	168 Å²	168	134.6 Å²	134.6	79%	0.785	69%	0.686	S	S	*	*			trans	90	62.8	-178.2	-58.9	-70.3	143	0	0	115.7
533	G	44.4	Very low	54.4	Low	63 Å²	63	134.6 Å²	134.6	65%	0.649	70%	0.701	S	S	*	*			trans	-107.3	51.1	171	0	0	0	0	0	113.8
534	W	50.4	Low	52.9	Low	238 Å²	238	135 Å²	135	90%	0.902	71%	0.713	S	S	*	*			trans	-155.2	76	166.3	-70.2	101.1	0	0	0	111.7
535	R	39.3	Very low	51.4	Low	243 Å²	243	138 Å²	138	92%	0.917	74%	0.737	S	S	*	*	S	Bend	trans	-160.3	16.8	164	-115.1	161.8	-175.7	-151	-2.1	119.4
536	E	45	Very low	50.2	Low	194 Å²	194	137.5 Å²	137.5	91%	0.907	74%	0.742	S	S	*	*	S	Bend	trans	-131.5	55.1	175.1	-72.5	-157.2	154.5	0	0	114
537	Q	41	Very low	48.9	Very low	178 Å²	178	142 Å²	142	83%	0.832	77%	0.769	S	S	*	*	S	Bend	trans	-144.6	35.4	172.7	-126.6	178.4	-13.8	0	0	115.4
538	L	41.9	Very low	48	Very low	185 Å²	185	138.3 Å²	138.3	97%	0.969	76%	0.761	S	S	*	*	S	Bend	trans	-134.1	23.3	172.8	-76.2	176.5	0	0	0	115.2
539	A	40.7	Very low	47.8	Very low	105 Å²	105	136.2 Å²	136.2	87%	0.868	75%	0.754	S	S	*	*	S	Bend	trans	-114.9	8.9	179.7	0	0	0	0	0	115.5
540	L	44.2	Very low	48.5	Very low	162 Å²	162	133.4 Å²	133.4	85%	0.848	74%	0.742	S	S	*	*	S	Bend	trans	-116.5	11.8	-168.9	-119.2	151.8	0	0	0	116.2
541	I	50	Low	49.1	Very low	165 Å²	165	129.1 Å²	129.1	85%	0.846	72%	0.724	S	S	*	*	S	Bend	trans	-118.6	-1.1	-179.4	-57.8	-179.3	0	0	0	114.2
542	A	43.3	Very low	50.4	Low	92 Å²	92	125.8 Å²	125.8	76%	0.76	71%	0.71	S	S	*	*	S	Bend	trans	-107.8	1.4	-179.9	0	0	0	0	0	115.7
543	G	49	Very low	51.9	Low	58 Å²	58	122.4 Å²	122.4	60%	0.598	70%	0.696	S	S	*	*	S	Bend	trans	-101.2	-4.7	-169	0	0	0	0	0	117.2
544	T	53.1	Low	53.2	Low	125 Å²	125	123.2 Å²	123.2	77%	0.767	69%	0.688	S	S	*	*	S	Bend	trans	-104.9	-6.6	-170.9	49.2	0	0	0	0	114.9
545	A	50.2	Low	54.2	Low	70 Å²	70	116.1 Å²	116.1	58%	0.579	67%	0.672	S	S	*	*	S	Bend	trans	-92.7	-26.3	179.4	0	0	0	0	0	114.2	V549	A545-V549 VanDerWaalsContact O-CG2 3.25Å; A545-V549 WeakPolarHBondContact O-CG2 3.47Å; A545-V549 PolarHBondContact O-N 3.07Å
546	V	55.5	Low	55.8	Low	100 Å²	100	108.7 Å²	108.7	61%	0.606	65%	0.649	S	S	*	*	H	α-helix	trans	-83.7	-35.4	-172.3	-178.5	0	0	0	0	112.4	V550	V546-V550 VanDerWaalsContact O-CG2 3.29Å; V546-V550 WeakPolarHBondContact O-CG2 3.45Å; V546-V550 PolarHBondContact O-N 3.38Å
547	V	55.7	Low	57.1	Low	98 Å²	98	103.4 Å²	103.4	59%	0.594	63%	0.63	S	S	*	*	H	α-helix	trans	-74.1	-35.5	179.5	-179.1	0	0	0	0	111.5	L551	V547-L551 HydrophobicContact CG1-CD1 4.23Å; V547-L551 WeakPolarHBondContact O-CB 3.42Å; V547-L551 PolarHBondContact O-N 3Å
548	G	56.2	Low	58.5	Low	37 Å²	37	98.5 Å²	98.5	38%	0.381	61%	0.612	S	S	.	*	H	α-helix	trans	-67	-40.7	175.6	0	0	0	0	0	113	V552	G548-V552 WeakPolarHBondContact O-CB 3.46Å; G548-V552 WeakPolarHBondContact O-CG2 3.47Å; G548-V552 PolarHBondContact O-N 2.96Å
549	V	62.3	Low	59.7	Low	86 Å²	86	91.5 Å²	91.5	52%	0.521	58%	0.581	S	S	.	*	H	α-helix	trans	-70.4	-36.3	178.3	173.2	0	0	0	0	111.5	A545 L553	A545-V549 VanDerWaalsContact O-CG2 3.25Å; A545-V549 WeakPolarHBondContact O-CG2 3.47Å; A545-V549 PolarHBondContact O-N 3.07Å; V549-L553 HydrophobicContact CG1-CD1 3.83Å; V549-L553 HydrophobicContact CG1-CG 4.37Å; V549-L553 VanDerWaalsContact O-CB 3.27Å; V549-L553 WeakPolarHBondContact O-CB 3.4Å; V549-L553 VanDerWaalsContact O-CG 3.22Å; V549-L553 WeakPolarHBondContact O-CG 3.18Å; V549-L553 PolarHBondContact O-N 2.96Å
550	V	65.8	Low	61.1	Low	81 Å²	81	89.6 Å²	89.6	49%	0.491	56%	0.558	S	S	.	*	H	α-helix	trans	-70.5	-39.9	175.9	174.1	0	0	0	0	111.6	V546 L553 V554	V546-V550 VanDerWaalsContact O-CG2 3.29Å; V546-V550 WeakPolarHBondContact O-CG2 3.45Å; V546-V550 PolarHBondContact O-N 3.38Å; V550-L553 PolarHBondContact O-N 3.44Å; V550-V554 HydrophobicContact CG1-CG2 4.5Å; V550-V554 WeakPolarHBondContact O-CB 3.42Å; V550-V554 VanDerWaalsContact O-CG2 3.26Å; V550-V554 WeakPolarHBondContact O-CG2 3.41Å; V550-V554 PolarHBondContact O-N 3.06Å
551	L	63.6	Low	62.1	Low	108 Å²	108	87.1 Å²	87.1	57%	0.565	55%	0.545	S	S	*	.	H	α-helix	trans	-66.2	-39.9	174.4	-101.4	154.6	0	0	0	112.3	V547 V554 V555	V547-L551 HydrophobicContact CG1-CD1 4.23Å; V547-L551 WeakPolarHBondContact O-CB 3.42Å; V547-L551 PolarHBondContact O-N 3Å; L551-V554 PolarHBondContact O-N 3.19Å; L551-V555 WeakPolarHBondContact O-CB 3.26Å; L551-V555 VanDerWaalsContact O-CG2 3.25Å; L551-V555 WeakPolarHBondContact O-CG2 3.43Å; L551-V555 PolarHBondContact O-N 2.86Å
552	V	68.5	Low	62.6	Low	85 Å²	85	82.4 Å²	82.4	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-69	-37.4	175.3	171.3	0	0	0	0	111.2	G548 V555 I556	G548-V552 WeakPolarHBondContact O-CB 3.46Å; G548-V552 WeakPolarHBondContact O-CG2 3.47Å; G548-V552 PolarHBondContact O-N 2.96Å; V552-V555 PolarHBondContact O-N 3.41Å; V552-I556 HydrophobicContact CG1-CD1 3.58Å; V552-I556 HydrophobicContact CG1-CG1 4.21Å; V552-I556 VanDerWaalsContact O-CB 3.29Å; V552-I556 WeakPolarHBondContact O-CB 3.3Å; V552-I556 WeakPolarHBondContact O-CG1 3.18Å; V552-I556 PolarHBondContact O-N 3.47Å
553	L	69.5	Low	63.4	Low	97 Å²	97	83 Å²	83	51%	0.508	52%	0.516	S	S	.	.	H	α-helix	trans	-68.5	-36.3	173.8	-76.7	169	0	0	0	112.3	V549 V550 I556 V557	V549-L553 HydrophobicContact CG1-CD1 3.83Å; V549-L553 HydrophobicContact CG1-CG 4.37Å; V549-L553 VanDerWaalsContact O-CB 3.27Å; V549-L553 WeakPolarHBondContact O-CB 3.4Å; V549-L553 VanDerWaalsContact O-CG 3.22Å; V549-L553 WeakPolarHBondContact O-CG 3.18Å; V549-L553 PolarHBondContact O-N 2.96Å; V550-L553 PolarHBondContact O-N 3.44Å; L553-I556 PolarHBondContact O-N 2.78Å; L553-V557 VanDerWaalsContact O-CB 3.28Å; L553-V557 WeakPolarHBondContact O-CB 3.47Å; L553-V557 WeakPolarHBondContact O-CG2 3.45Å; L553-V557 PolarHBondContact O-N 3.37Å
554	V	71.7	Confident	63.7	Low	80 Å²	80	89.4 Å²	89.4	49%	0.485	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-41.4	172.6	170.8	0	0	0	0	110.6	V550 L551 V557 V558	V550-V554 HydrophobicContact CG1-CG2 4.5Å; V550-V554 WeakPolarHBondContact O-CB 3.42Å; V550-V554 VanDerWaalsContact O-CG2 3.26Å; V550-V554 WeakPolarHBondContact O-CG2 3.41Å; V550-V554 PolarHBondContact O-N 3.06Å; L551-V554 PolarHBondContact O-N 3.19Å; V554-V557 PolarHBondContact O-N 3.15Å; V554-V558 HydrophobicContact CG1-CG2 4.3Å; V554-V558 VanDerWaalsContact O-CB 3.26Å; V554-V558 WeakPolarHBondContact O-CB 3.42Å; V554-V558 WeakPolarHBondContact O-CG2 3.31Å; V554-V558 PolarHBondContact O-N 3.33Å
555	V	71.8	Confident	63.4	Low	90 Å²	90	91.6 Å²	91.6	55%	0.545	52%	0.521	S	S	.	.	H	α-helix	trans	-68.2	-35.2	175.1	172.3	0	0	0	0	111.6	L551 V552 A559	L551-V555 WeakPolarHBondContact O-CB 3.26Å; L551-V555 VanDerWaalsContact O-CG2 3.25Å; L551-V555 WeakPolarHBondContact O-CG2 3.43Å; L551-V555 PolarHBondContact O-N 2.86Å; V552-V555 PolarHBondContact O-N 3.41Å; V555-A559 WeakPolarHBondContact O-CA 3.21Å; V555-A559 WeakPolarHBondContact O-CB 3.34Å; V555-A559 PolarHBondContact O-N 3.15Å
556	I	73.1	Confident	63.2	Low	86 Å²	86	95.2 Å²	95.2	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-72.5	-38	174.5	-70.6	168.4	0	0	0	110.7	V552 L553 A559 V560	V552-I556 HydrophobicContact CG1-CD1 3.58Å; V552-I556 HydrophobicContact CG1-CG1 4.21Å; V552-I556 VanDerWaalsContact O-CB 3.29Å; V552-I556 WeakPolarHBondContact O-CB 3.3Å; V552-I556 WeakPolarHBondContact O-CG1 3.18Å; V552-I556 PolarHBondContact O-N 3.47Å; L553-I556 PolarHBondContact O-N 2.78Å; I556-A559 CarbonylContact O-C 3.49Å; I556-A559 PolarHBondContact O-N 3.39Å; I556-V560 HydrophobicContact CG2-CG2 4.12Å; I556-V560 WeakPolarHBondContact O-CB 3.47Å; I556-V560 WeakPolarHBondContact O-CG2 3.34Å; I556-V560 PolarHBondContact O-N 3.46Å
557	V	71.3	Confident	62.5	Low	83 Å²	83	95.5 Å²	95.5	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-67.4	-43.6	173.6	168.2	0	0	0	0	110.1	L553 V554 V560 L561	L553-V557 VanDerWaalsContact O-CB 3.28Å; L553-V557 WeakPolarHBondContact O-CB 3.47Å; L553-V557 WeakPolarHBondContact O-CG2 3.45Å; L553-V557 PolarHBondContact O-N 3.37Å; V554-V557 PolarHBondContact O-N 3.15Å; V557-V560 PolarHBondContact O-N 3.45Å; V557-L561 HydrophobicContact CG1-CD1 3.82Å; V557-L561 HydrophobicContact CG1-CG 4.34Å; V557-L561 WeakPolarHBondContact O-CB 3.4Å; V557-L561 WeakPolarHBondContact O-CG 3.34Å; V557-L561 PolarHBondContact O-N 3.31Å
558	V	71	Confident	62	Low	76 Å²	76	98.4 Å²	98.4	46%	0.461	55%	0.545	S	S	.	.	H	α-helix	trans	-64.4	-40.4	173.3	171.2	0	0	0	0	110.6	V554 L561 C562	V554-V558 HydrophobicContact CG1-CG2 4.3Å; V554-V558 VanDerWaalsContact O-CB 3.26Å; V554-V558 WeakPolarHBondContact O-CB 3.42Å; V554-V558 WeakPolarHBondContact O-CG2 3.31Å; V554-V558 PolarHBondContact O-N 3.33Å; V558-L561 CarbonylContact O-C 3.54Å; V558-L561 PolarHBondContact O-N 3.11Å; V558-C562 WeakPolarHBondContact O-CB 3.47Å; V558-C562 PolarHBondContact O-N 2.86Å; V558-C562 PolarHBondContact O-SG 2.84Å
559	A	68	Low	61.1	Low	38 Å²	38	98.8 Å²	98.8	31%	0.314	55%	0.549	S	S	.	.	H	α-helix	trans	-71.6	-35.8	177.3	0	0	0	0	0	112.1	V555 I556 C562 L563	V555-A559 WeakPolarHBondContact O-CA 3.21Å; V555-A559 WeakPolarHBondContact O-CB 3.34Å; V555-A559 PolarHBondContact O-N 3.15Å; I556-A559 CarbonylContact O-C 3.49Å; I556-A559 PolarHBondContact O-N 3.39Å; A559-C562 CarbonylContact O-C 3.4Å; A559-C562 PolarHBondContact O-N 2.83Å; A559-L563 WeakPolarHBondContact O-CA 3.49Å; A559-L563 WeakPolarHBondContact O-CB 3.5Å; A559-L563 WeakPolarHBondContact O-CD1 3.24Å; A559-L563 WeakPolarHBondContact O-CG 3.41Å; A559-L563 PolarHBondContact O-N 3.03Å
560	V	68.6	Low	60.1	Low	65 Å²	65	106.7 Å²	106.7	39%	0.394	57%	0.569	S	S	.	*	H	α-helix	trans	-72.6	-34.5	173.5	169.1	0	0	0	0	110.3	I556 V557 R564	I556-V560 HydrophobicContact CG2-CG2 4.12Å; I556-V560 WeakPolarHBondContact O-CB 3.47Å; I556-V560 WeakPolarHBondContact O-CG2 3.34Å; I556-V560 PolarHBondContact O-N 3.46Å; V557-V560 PolarHBondContact O-N 3.45Å; V560-R564 HydrophobicContact CG1-CG 4.34Å; V560-R564 WeakPolarHBondContact O-CA 3.46Å; V560-R564 WeakPolarHBondContact O-CB 3.42Å; V560-R564 VanDerWaalsContact O-CG 3.24Å; V560-R564 WeakPolarHBondContact O-CG 3.32Å; V560-R564 PolarHBondContact O-N 3.25Å
561	L	65.5	Low	58.6	Low	110 Å²	110	111.9 Å²	111.9	58%	0.576	59%	0.588	S	S	*	*	H	α-helix	trans	-68.9	-39.8	170.1	-71.4	171.1	0	0	0	111.1	V557 V558 K565	V557-L561 HydrophobicContact CG1-CD1 3.82Å; V557-L561 HydrophobicContact CG1-CG 4.34Å; V557-L561 WeakPolarHBondContact O-CB 3.4Å; V557-L561 WeakPolarHBondContact O-CG 3.34Å; V557-L561 PolarHBondContact O-N 3.31Å; V558-L561 CarbonylContact O-C 3.54Å; V558-L561 PolarHBondContact O-N 3.11Å; L561-K565 WeakPolarHBondContact O-CB 3.26Å; L561-K565 PolarHBondContact O-N 2.69Å
562	C	61.5	Low	57.1	Low	65 Å²	65	111.3 Å²	111.3	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-72.5	-36	176.3	-74.9	0	0	0	0	112.4	V558 A559 K565 Q566	V558-C562 WeakPolarHBondContact O-CB 3.47Å; V558-C562 PolarHBondContact O-N 2.86Å; V558-C562 PolarHBondContact O-SG 2.84Å; A559-C562 CarbonylContact O-C 3.4Å; A559-C562 PolarHBondContact O-N 2.83Å; C562-K565 CarbonylContact O-C 3.59Å; C562-K565 PolarHBondContact O-N 3.34Å; C562-Q566 VanDerWaalsContact O-CB 3.3Å; C562-Q566 WeakPolarHBondContact O-CB 3.45Å; C562-Q566 PolarHBondContact O-N 3.4Å
563	L	60.1	Low	55.2	Low	106 Å²	106	116.7 Å²	116.7	56%	0.555	62%	0.618	S	S	*	*	H	α-helix	trans	-81.4	-32.3	177.3	-69.3	170.3	0	0	0	111.8	A559 K565 Q566 S567	A559-L563 WeakPolarHBondContact O-CA 3.49Å; A559-L563 WeakPolarHBondContact O-CB 3.5Å; A559-L563 WeakPolarHBondContact O-CD1 3.24Å; A559-L563 WeakPolarHBondContact O-CG 3.41Å; A559-L563 PolarHBondContact O-N 3.03Å; L563-K565 VanDerWaalsContact C-N 3.27Å; L563-Q566 PolarHBondContact O-N 3.43Å; L563-S567 WeakPolarHBondContact O-CB 3.46Å; L563-S567 PolarHBondContact O-N 2.64Å
564	R	54.2	Low	53.4	Low	192 Å²	192	118.3 Å²	118.3	73%	0.725	62%	0.619	S	S	*	*	H	α-helix	trans	-68.3	-28.5	164.1	-76.1	-177.4	165	176.6	-3.6	111.6	V560	V560-R564 HydrophobicContact CG1-CG 4.34Å; V560-R564 WeakPolarHBondContact O-CA 3.46Å; V560-R564 WeakPolarHBondContact O-CB 3.42Å; V560-R564 VanDerWaalsContact O-CG 3.24Å; V560-R564 WeakPolarHBondContact O-CG 3.32Å; V560-R564 PolarHBondContact O-N 3.25Å
565	K	46.8	Very low	51.4	Low	170 Å²	170	119.2 Å²	119.2	74%	0.739	63%	0.628	S	S	*	*	H	α-helix	trans	-79.1	-25.8	171.4	-168.5	173.7	-179.8	179.1	0	113.3	L561 C562 L563	L561-K565 WeakPolarHBondContact O-CB 3.26Å; L561-K565 PolarHBondContact O-N 2.69Å; C562-K565 CarbonylContact O-C 3.59Å; C562-K565 PolarHBondContact O-N 3.34Å; L563-K565 VanDerWaalsContact C-N 3.27Å
566	Q	45.8	Very low	49.6	Very low	146 Å²	146	120.9 Å²	120.9	68%	0.682	63%	0.634	S	S	*	*	H	α-helix	trans	-92.4	-26.1	176.4	-99.4	-177.4	-23.3	0	0	114.1	C562 L563 N568	C562-Q566 VanDerWaalsContact O-CB 3.3Å; C562-Q566 WeakPolarHBondContact O-CB 3.45Å; C562-Q566 PolarHBondContact O-N 3.4Å; L563-Q566 PolarHBondContact O-N 3.43Å; Q566-N568 VanDerWaalsContact C-N 3.28Å
567	S	41.4	Very low	47.9	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-6.8	173.9	-171.8	0	0	0	0	113.1	L563	L563-S567 WeakPolarHBondContact O-CB 3.46Å; L563-S567 PolarHBondContact O-N 2.64Å
568	N	45.4	Very low	46.3	Very low	159 Å²	159	126.8 Å²	126.8	85%	0.85	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	21.4	173.7	-133.1	31.5	0	0	0	112.5	Q566	Q566-N568 VanDerWaalsContact C-N 3.28Å
569	G	37.4	Very low	44.6	Very low	45 Å²	45	125.7 Å²	125.7	46%	0.464	66%	0.655	S	S	.	*			trans	-144.2	60.5	-169.4	0	0	0	0	0	112.4
570	R	40.6	Very low	43.2	Very low	251 Å²	251	131.2 Å²	131.2	95%	0.947	68%	0.675	S	S	*	*			trans	-139.4	55.7	160.9	-134.7	-178.3	176	164.2	-1.4	110.7
571	E	34.6	Very low	41.8	Very low	191 Å²	191	137.3 Å²	137.3	89%	0.893	69%	0.692	S	S	*	*	S	Bend	trans	-149.1	145	151.3	-127.6	174.3	176.6	0	0	108.9
572	A	32.3	Very low	40.5	Very low	95 Å²	95	138 Å²	138	79%	0.785	70%	0.695	S	S	*	*			trans	-58.8	139.6	-158.3	0	0	0	0	0	114.8	Y574	A572-Y574 PolarHBondContact O-N 3Å
573	E	29.4	Very low	39.3	Very low	199 Å²	199	142.1 Å²	142.1	93%	0.93	71%	0.712	S	S	*	*			trans	-52.4	103.9	173.1	-161.2	169.1	-159.5	0	0	111
574	Y	31.2	Very low	38.4	Very low	131 Å²	131	140.1 Å²	140.1	51%	0.514	72%	0.717	S	S	.	*			trans	-118.6	123	159.9	-135.2	-81.1	0	0	0	106.8	A572 D576 K608	A572-Y574 PolarHBondContact O-N 3Å; Y574-D576 PolarHBondContact O-N 3.4Å; Y574-K608 HydrophobicContact CE1-CD 3.7Å; Y574-K608 HydrophobicContact CE1-CG 3.52Å; Y574-K608 WeakPolarHBondContact OH-CD 2.98Å; Y574-K608 WeakPolarHBondContact OH-CE 3.25Å; Y574-K608 PolarHBondContact OH-NZ 2.86Å
575	S	29.9	Very low	37.6	Very low	99 Å²	99	139.6 Å²	139.6	69%	0.692	72%	0.722	S	S	*	*			trans	-51.9	107	-176.2	173.6	0	0	0	0	112.4
576	D	34.1	Very low	37.5	Very low	125 Å²	125	134.8 Å²	134.8	67%	0.668	72%	0.721	S	S	*	*			trans	-92.1	99	165.4	-169	19.1	0	0	0	109.1	Y574 H578	Y574-D576 PolarHBondContact O-N 3.4Å; D576-H578 IonicContact OD1-CE1 3.46Å; D576-H578 IonicContact OD1-CG 3.43Å; D576-H578 PolarHBondContact OD1-N 3.4Å; D576-H578 IonicContact OD1-ND1 3.07Å; D576-H578 PolarHBondContact OD1-ND1 2.78Å
577	K	36.1	Very low	37.7	Very low	188 Å²	188	132.4 Å²	132.4	82%	0.817	72%	0.717	S	S	*	*			trans	-123	64.7	161	-78.8	-170.9	176.8	-179.5	0	107.6
578	H	38.4	Very low	38.8	Very low	104 Å²	104	133.2 Å²	133.2	48%	0.481	71%	0.706	S	S	.	*			trans	-95	111.2	164.4	-65.6	87.3	0	0	0	109.3	D576 Q580 E605	D576-H578 IonicContact OD1-CE1 3.46Å; D576-H578 IonicContact OD1-CG 3.43Å; D576-H578 PolarHBondContact OD1-N 3.4Å; D576-H578 IonicContact OD1-ND1 3.07Å; D576-H578 PolarHBondContact OD1-ND1 2.78Å; H578-Q580 PolarHBondContact O-N 2.89Å; H578-E605 PolarHBondContact CD2-O 2.79Å; H578-E605 PolarHBondContact NE2-O 3.21Å
579	G	35.8	Very low	40.2	Very low	53 Å²	53	129.7 Å²	129.7	55%	0.546	69%	0.69	S	S	.	*			trans	-64.2	96.1	166.2	0	0	0	0	0	109.5	Y581	G579-Y581 PolarHBondContact O-N 3.05Å; G579-Y581 VanDerWaalsContact O-N 3.17Å
580	Q	38.4	Very low	42.4	Very low	155 Å²	155	129.2 Å²	129.2	72%	0.724	68%	0.675	S	S	*	*			trans	-75.7	101.6	179.5	-94.7	166.4	1.6	0	0	111.3	H578 L582	H578-Q580 PolarHBondContact O-N 2.89Å; Q580-L582 VanDerWaalsContact C-N 3.32Å; Q580-L582 PolarHBondContact O-N 3.2Å
581	Y	39.9	Very low	44.5	Very low	192 Å²	192	119.8 Å²	119.8	75%	0.753	64%	0.643	S	S	*	*			trans	-74.2	85.3	162.8	-72.1	-86.2	0	0	0	109.9	G579 I583	G579-Y581 PolarHBondContact O-N 3.05Å; G579-Y581 VanDerWaalsContact O-N 3.17Å; Y581-I583 PolarHBondContact O-N 2.95Å
582	L	36.6	Very low	46.7	Very low	124 Å²	124	112.6 Å²	112.6	65%	0.649	61%	0.611	S	S	*	*			trans	-76.2	104.4	167.2	-76.2	161	0	0	0	109.1	Q580	Q580-L582 VanDerWaalsContact C-N 3.32Å; Q580-L582 PolarHBondContact O-N 3.2Å
583	I	37.2	Very low	48.9	Very low	152 Å²	152	108.4 Å²	108.4	78%	0.779	58%	0.575	S	S	*	*			trans	-84.3	130.7	160.1	-57.2	179.7	0	0	0	107.1	Y581 H585	Y581-I583 PolarHBondContact O-N 2.95Å; I583-H585 PolarHBondContact O-N 3.21Å
584	G	40.1	Very low	51.1	Low	64 Å²	64	102 Å²	102	66%	0.66	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-36.6	129.4	-168.2	0	0	0	0	0	115.2
585	H	38.6	Very low	53.3	Low	181 Å²	181	100.7 Å²	100.7	84%	0.838	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.7	41	-173.1	-56.7	-69.6	0	0	0	117.3	I583 T587	I583-H585 PolarHBondContact O-N 3.21Å; H585-T587 WeakPolarHBondContact O-CB 3.03Å; H585-T587 PolarHBondContact O-N 2.84Å; H585-T587 PolarHBondContact O-OG1 2.79Å
586	G	43.7	Very low	55.4	Low	69 Å²	69	97.7 Å²	97.7	71%	0.711	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	18.8	150.9	0	0	0	0	0	118.1
587	T	51.4	Low	57.3	Low	97 Å²	97	100.3 Å²	100.3	60%	0.595	53%	0.532	S	S	*	.			trans	-109.6	119.8	-174.2	-49.6	0	0	0	0	106.5	H585 V589	H585-T587 WeakPolarHBondContact O-CB 3.03Å; H585-T587 PolarHBondContact O-N 2.84Å; H585-T587 PolarHBondContact O-OG1 2.79Å; T587-V589 PolarHBondContact O-N 2.04Å
588	K	63.1	Low	59.2	Low	123 Å²	123	94.1 Å²	94.1	54%	0.535	51%	0.508	S	S	.	.			trans	-65.6	121.7	175.9	-157.7	-172	-176.7	-169.5	0	107.4	Q670 M734	K588-Q670 PolarHBondContact NZ-O 2.87Å; K588-M734 HydrophobicContact CB-CE 4.13Å; K588-M734 HydrophobicContact CB-SD 3.98Å; K588-M734 HydrophobicContact CD-CE 3.95Å; K588-M734 HydrophobicContact CD-SD 4.31Å; K588-M734 HydrophobicContact CG-CE 3.89Å; K588-M734 HydrophobicContact CG-SD 4.34Å
589	V	75.9	Confident	61.1	Low	85 Å²	85	90 Å²	90	52%	0.515	49%	0.491	S	S	.	.			trans	-112	140.2	177.9	-177.3	0	0	0	0	108.3	T587	T587-V589 PolarHBondContact O-N 2.04Å
590	Y	83.6	Confident	63.4	Low	36 Å²	36	89 Å²	89	14%	0.141	47%	0.472	C	S	.	.			trans	-61.6	134.3	173.6	167.3	-98.8	0	0	0	111.3	D592 P593 I667 F671 M734 Y736	Y590-D592 HydrophobicContact CE1-CB 3.99Å; Y590-P593 VanDerWaalsContact OH-CD 3.22Å; Y590-P593 WeakPolarHBondContact OH-CD 3.29Å; Y590-I667 HydrophobicContact CE2-CB 4.47Å; Y590-I667 HydrophobicContact CE2-CG1 4.18Å; Y590-I667 HydrophobicContact CE2-CG2 4.05Å; Y590-F671 AromaticContact CD2-CE1 3.93Å; Y590-F671 HydrophobicContact CD2-CE1 3.93Å; Y590-F671 AromaticContact CD2-CZ 3.67Å; Y590-F671 HydrophobicContact CD2-CZ 3.67Å; Y590-F671 HydrophobicContact CE2-CZ 4.11Å; Y590-F671 HydrophobicContact CG-CZ 4.5Å; Y590-M734 WeakPolarHBondContact CB-O 3.22Å; Y590-M734 PolarHBondContact N-O 2.84Å; Y590-Y736 AromaticContact CD1-CD2 3.8Å; Y590-Y736 HydrophobicContact CD1-CD2 3.8Å; Y590-Y736 AromaticContact CD2-CD2 3.68Å; Y590-Y736 HydrophobicContact CD2-CD2 3.68Å; Y590-Y736 HydrophobicContact CD2-CE2 4.26Å; Y590-Y736 AromaticContact CE1-CD2 3.73Å; Y590-Y736 HydrophobicContact CE1-CD2 3.73Å; Y590-Y736 HydrophobicContact CE1-CE2 4.06Å; Y590-Y736 AromaticContact CE2-CD2 3.61Å; Y590-Y736 HydrophobicContact CE2-CD2 3.61Å; Y590-Y736 AromaticContact CE2-CE2 3.72Å; Y590-Y736 HydrophobicContact CE2-CE2 3.72Å; Y590-Y736 AromaticContact CG-CD2 3.76Å; Y590-Y736 HydrophobicContact CG-CD2 3.76Å; Y590-Y736 AromaticContact CZ-CD2 3.63Å; Y590-Y736 AromaticContact CZ-CE2 3.59Å
591	I	83.9	Confident	65.6	Low	53 Å²	53	86.3 Å²	86.3	27%	0.272	46%	0.46	S	S	.	.			trans	-107.6	125.9	173.7	-58.3	175.6	0	0	0	107.7	P593 Y596 F606 Q670	I591-P593 WeakPolarHBondContact O-CD 3.42Å; I591-Y596 HydrophobicContact CG2-CE2 4.17Å; I591-F606 HydrophobicContact CB-CZ 4.04Å; I591-F606 HydrophobicContact CD1-CE1 4.42Å; I591-F606 HydrophobicContact CD1-CZ 4.19Å; I591-F606 HydrophobicContact CG2-CZ 4.21Å; I591-Q670 PolarHBondContact O-NE2 3.47Å; I591-Q670 PolarHBondContact O-OE1 2.87Å
592	D	80.3	Confident	67.7	Low	40 Å²	40	77.2 Å²	77.2	21%	0.214	43%	0.425	C	S	.	.			trans	-71	114	179.4	-169.2	-17.9	0	0	0	110.3	Y590 F594 T595 R763	Y590-D592 HydrophobicContact CE1-CB 3.99Å; D592-F594 PolarHBondContact O-N 3.44Å; D592-F594 VanDerWaalsContact OD1-CD2 3.28Å; D592-F594 WeakPolarHBondContact OD1-CD2 3.29Å; D592-F594 PolarHBondContact OD1-N 3.44Å; D592-F594 VanDerWaalsContact OD1-N 3.17Å; D592-T595 HydrophobicContact CB-CG2 4.33Å; D592-T595 WeakPolarHBondContact O-CG2 3.27Å; D592-T595 PolarHBondContact O-N 3.29Å; D592-T595 PolarHBondContact O-OG1 3.48Å; D592-R763 WeakPolarHBondContact OD2-CD 3.2Å
593	P	80.1	Confident	70.1	Confident	7 Å²	7	71.5 Å²	71.5	5%	0.045	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-59.6	-18.4	-178.2	-27.2	38.8	0	0	0	114	Y590 I591 T595 Y596 A602 I667	Y590-P593 VanDerWaalsContact OH-CD 3.22Å; Y590-P593 WeakPolarHBondContact OH-CD 3.29Å; I591-P593 WeakPolarHBondContact O-CD 3.42Å; P593-T595 PolarHBondContact O-N 2.78Å; P593-Y596 WeakPolarHBondContact O-CD2 3.44Å; P593-Y596 PolarHBondContact O-N 2.88Å; P593-A602 HydrophobicContact CB-CB 4.03Å; P593-I667 HydrophobicContact CG-CG1 3.84Å
594	F	74.9	Confident	72.5	Confident	63 Å²	63	72.3 Å²	72.3	28%	0.276	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-71.8	-6.4	174.5	-68.6	-79.8	0	0	0	113.8	D592 Y596 R659	D592-F594 PolarHBondContact O-N 3.44Å; D592-F594 VanDerWaalsContact OD1-CD2 3.28Å; D592-F594 WeakPolarHBondContact OD1-CD2 3.29Å; D592-F594 PolarHBondContact OD1-N 3.44Å; D592-F594 VanDerWaalsContact OD1-N 3.17Å; F594-Y596 PolarHBondContact O-N 3.31Å; F594-R659 HydrophobicContact CE1-CG 4.38Å
595	T	76.8	Confident	74.7	Confident	104 Å²	104	71.3 Å²	71.3	64%	0.638	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-73.3	-13.4	168.9	61.1	0	0	0	0	113	D592 P593	D592-T595 HydrophobicContact CB-CG2 4.33Å; D592-T595 WeakPolarHBondContact O-CG2 3.27Å; D592-T595 PolarHBondContact O-N 3.29Å; D592-T595 PolarHBondContact O-OG1 3.48Å; P593-T595 PolarHBondContact O-N 2.78Å
596	Y	74.2	Confident	77.1	Confident	37 Å²	37	63.8 Å²	63.8	15%	0.145	33%	0.331	C	S	.	.	S	Bend	trans	-89.9	138.5	177.1	-64.3	-106.1	0	0	0	110.3	I591 P593 F594 E601 A602 E605 F606	I591-Y596 HydrophobicContact CG2-CE2 4.17Å; P593-Y596 WeakPolarHBondContact O-CD2 3.44Å; P593-Y596 PolarHBondContact O-N 2.88Å; F594-Y596 PolarHBondContact O-N 3.31Å; Y596-E601 HydrophobicContact CD1-CB 4.18Å; Y596-E601 HydrophobicContact CD1-CG 3.97Å; Y596-E601 HydrophobicContact CE1-CG 4.32Å; Y596-A602 HydrophobicContact CD1-CB 4.33Å; Y596-A602 HydrophobicContact CD2-CB 3.9Å; Y596-A602 HydrophobicContact CE2-CB 4.42Å; Y596-A602 HydrophobicContact CG-CB 3.88Å; Y596-E605 VanDerWaalsContact CE1-OE2 3.25Å; Y596-E605 WeakPolarHBondContact CE1-OE2 3.35Å; Y596-E605 PolarHBondContact OH-OE1 3.4Å; Y596-E605 PolarHBondContact OH-OE2 3.49Å; Y596-F606 AromaticContact CE2-CE2 3.89Å; Y596-F606 HydrophobicContact CE2-CE2 3.89Å; Y596-F606 HydrophobicContact CE2-CZ 4.28Å; Y596-F606 WeakPolarHBondContact OH-CZ 3.26Å
597	E	73.5	Confident	79.4	Confident	180 Å²	180	61.2 Å²	61.2	84%	0.841	30%	0.303	S	S	*	.	S	Bend	trans	-72.3	-41.2	176.1	-66.3	-173.8	171	0	0	111.4	R659	E597-R659 PolarHBondContact O-NH2 3.17Å
598	D	77.4	Confident	81.3	Confident	57 Å²	57	59.3 Å²	59.3	31%	0.305	29%	0.287	S	S	.	.	S	Bend	trans	-100.7	116.2	176.2	177.5	17.1	0	0	0	111.6	N600 E601 R604	D598-N600 PolarHBondContact O-N 3.46Å; D598-N600 WeakPolarHBondContact OD1-CB 3.09Å; D598-N600 PolarHBondContact OD1-N 3.17Å; D598-N600 PolarHBondContact OD1-ND2 3.25Å; D598-E601 HydrophobicContact CB-CB 4.28Å; D598-E601 WeakPolarHBondContact O-CB 3.42Å; D598-E601 PolarHBondContact O-N 3.28Å; D598-R604 IonicContact OD2-NH2 3.25Å; D598-R604 PolarHBondContact OD2-NH2 3.38Å
599	P	78.4	Confident	82.8	Confident	18 Å²	18	56.5 Å²	56.5	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-28.6	177.2	-23.6	34.7	0	0	0	113.6	E601 A602 V603 R659 L662	P599-E601 VanDerWaalsContact C-N 3.26Å; P599-E601 PolarHBondContact O-N 2.82Å; P599-A602 PolarHBondContact O-N 3.37Å; P599-V603 VanDerWaalsContact O-CG2 3.27Å; P599-V603 WeakPolarHBondContact O-CG2 3.35Å; P599-V603 PolarHBondContact O-N 3.23Å; P599-V603 VanDerWaalsContact O-N 3.1Å; P599-R659 HydrophobicContact CB-CG 4.39Å; P599-R659 HydrophobicContact CG-CB 3.88Å; P599-R659 HydrophobicContact CG-CG 3.66Å; P599-L662 HydrophobicContact CB-CB 4.23Å; P599-L662 HydrophobicContact CB-CD1 4.19Å
600	N	82.8	Confident	83.6	Confident	31 Å²	31	52.8 Å²	52.8	17%	0.166	25%	0.252	C	S	.	.	H	α-helix	trans	-69.5	-26.5	177.8	-56.9	-74.7	0	0	0	112	D598 R604 R658	D598-N600 PolarHBondContact O-N 3.46Å; D598-N600 WeakPolarHBondContact OD1-CB 3.09Å; D598-N600 PolarHBondContact OD1-N 3.17Å; D598-N600 PolarHBondContact OD1-ND2 3.25Å; N600-R604 WeakPolarHBondContact O-CB 3.42Å; N600-R604 VanDerWaalsContact O-CG 3.26Å; N600-R604 WeakPolarHBondContact O-CG 3.25Å; N600-R604 PolarHBondContact O-N 3.38Å; N600-R604 PolarHBondContact O-NE 3.09Å; N600-R658 PolarHBondContact ND2-NH1 2.77Å; N600-R658 PolarHBondContact OD1-NH1 2.81Å; N600-R658 PolarHBondContact OD1-NH2 3.2Å
601	E	84.5	Confident	83.9	Confident	100 Å²	100	55.1 Å²	55.1	47%	0.467	27%	0.267	S	S	.	.	H	α-helix	trans	-68.8	-48	176	-169.2	175.4	-168.8	0	0	110.9	Y596 D598 P599 V603 R604 E605	Y596-E601 HydrophobicContact CD1-CB 4.18Å; Y596-E601 HydrophobicContact CD1-CG 3.97Å; Y596-E601 HydrophobicContact CE1-CG 4.32Å; D598-E601 HydrophobicContact CB-CB 4.28Å; D598-E601 WeakPolarHBondContact O-CB 3.42Å; D598-E601 PolarHBondContact O-N 3.28Å; P599-E601 VanDerWaalsContact C-N 3.26Å; P599-E601 PolarHBondContact O-N 2.82Å; E601-V603 VanDerWaalsContact C-N 3.28Å; E601-V603 PolarHBondContact O-N 3.36Å; E601-R604 PolarHBondContact O-N 3.3Å; E601-R604 VanDerWaalsContact O-N 3.17Å; E601-E605 PolarHBondContact O-N 2.98Å
602	A	83.9	Confident	84.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-40.9	173.9	0	0	0	0	0	112	P593 Y596 P599 E605 F606	P593-A602 HydrophobicContact CB-CB 4.03Å; Y596-A602 HydrophobicContact CD1-CB 4.33Å; Y596-A602 HydrophobicContact CD2-CB 3.9Å; Y596-A602 HydrophobicContact CE2-CB 4.42Å; Y596-A602 HydrophobicContact CG-CB 3.88Å; P599-A602 PolarHBondContact O-N 3.37Å; A602-E605 PolarHBondContact O-N 3.46Å; A602-F606 HydrophobicContact CB-CD2 4.39Å; A602-F606 HydrophobicContact CB-CE2 4.48Å; A602-F606 WeakPolarHBondContact O-CD2 3.36Å; A602-F606 PolarHBondContact O-N 2.88Å
603	V	87.9	Confident	84.6	Confident	4 Å²	4	58 Å²	58	2%	0.024	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-43.1	176.7	172.4	0	0	0	0	111.4	P599 E601 E605 F606 A607 L662 S666 V682 T684	P599-V603 VanDerWaalsContact O-CG2 3.27Å; P599-V603 WeakPolarHBondContact O-CG2 3.35Å; P599-V603 PolarHBondContact O-N 3.23Å; P599-V603 VanDerWaalsContact O-N 3.1Å; E601-V603 VanDerWaalsContact C-N 3.28Å; E601-V603 PolarHBondContact O-N 3.36Å; V603-E605 PolarHBondContact O-N 3.39Å; V603-F606 PolarHBondContact O-N 3.11Å; V603-A607 HydrophobicContact CG1-CB 4.07Å; V603-A607 CarbonylContact O-C 3.48Å; V603-A607 WeakPolarHBondContact O-CA 3.15Å; V603-A607 WeakPolarHBondContact O-CB 3.26Å; V603-A607 PolarHBondContact O-N 3.07Å; V603-A607 VanDerWaalsContact O-O 3.08Å; V603-L662 HydrophobicContact CG2-CB 3.72Å; V603-L662 HydrophobicContact CG2-CD1 4.45Å; V603-L662 HydrophobicContact CG2-CD2 4.09Å; V603-L662 HydrophobicContact CG2-CG 4.27Å; V603-S666 WeakPolarHBondContact CA-OG 3.25Å; V603-S666 WeakPolarHBondContact CG2-OG 3.3Å; V603-S666 PolarHBondContact N-OG 3.09Å; V603-V682 HydrophobicContact CG1-CB 4.49Å; V603-V682 HydrophobicContact CG1-CG1 4.45Å; V603-V682 HydrophobicContact CG1-CG2 3.64Å; V603-T684 HydrophobicContact CG1-CG2 4.15Å
604	R	86.8	Confident	85.1	Confident	168 Å²	168	61.9 Å²	61.9	63%	0.634	31%	0.307	S	S	*	.	H	α-helix	trans	-63.1	-29.5	176.5	-77.2	-178.1	-64.2	-101.6	0.3	112.6	D598 N600 E601	D598-R604 IonicContact OD2-NH2 3.25Å; D598-R604 PolarHBondContact OD2-NH2 3.38Å; N600-R604 WeakPolarHBondContact O-CB 3.42Å; N600-R604 VanDerWaalsContact O-CG 3.26Å; N600-R604 WeakPolarHBondContact O-CG 3.25Å; N600-R604 PolarHBondContact O-N 3.38Å; N600-R604 PolarHBondContact O-NE 3.09Å; E601-R604 PolarHBondContact O-N 3.3Å; E601-R604 VanDerWaalsContact O-N 3.17Å
605	E	86.2	Confident	85.9	Confident	43 Å²	43	59.9 Å²	59.9	20%	0.201	30%	0.3	C	S	.	.	H	α-helix	trans	-80.8	-40.3	178.9	-171.5	172.5	162.4	0	0	112.9	H578 Y596 E601 A602 V603	H578-E605 PolarHBondContact CD2-O 2.79Å; H578-E605 PolarHBondContact NE2-O 3.21Å; Y596-E605 VanDerWaalsContact CE1-OE2 3.25Å; Y596-E605 WeakPolarHBondContact CE1-OE2 3.35Å; Y596-E605 PolarHBondContact OH-OE1 3.4Å; Y596-E605 PolarHBondContact OH-OE2 3.49Å; E601-E605 PolarHBondContact O-N 2.98Å; A602-E605 PolarHBondContact O-N 3.46Å; V603-E605 PolarHBondContact O-N 3.39Å
606	F	89.7	Confident	86.5	Confident	24 Å²	24	61.3 Å²	61.3	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-108.4	-15.6	-170.7	-56.7	-53.9	0	0	0	114.7	I591 Y596 A602 V603 S666 G669 Q670	I591-F606 HydrophobicContact CB-CZ 4.04Å; I591-F606 HydrophobicContact CD1-CE1 4.42Å; I591-F606 HydrophobicContact CD1-CZ 4.19Å; I591-F606 HydrophobicContact CG2-CZ 4.21Å; Y596-F606 AromaticContact CE2-CE2 3.89Å; Y596-F606 HydrophobicContact CE2-CE2 3.89Å; Y596-F606 HydrophobicContact CE2-CZ 4.28Å; Y596-F606 WeakPolarHBondContact OH-CZ 3.26Å; A602-F606 HydrophobicContact CB-CD2 4.39Å; A602-F606 HydrophobicContact CB-CE2 4.48Å; A602-F606 WeakPolarHBondContact O-CD2 3.36Å; A602-F606 PolarHBondContact O-N 2.88Å; V603-F606 PolarHBondContact O-N 3.11Å; F606-S666 WeakPolarHBondContact CB-O 3.43Å; F606-G669 CarbonylContact O-C 3.55Å; F606-G669 WeakPolarHBondContact O-CA 3.12Å; F606-Q670 HydrophobicContact CB-CG 4Å; F606-Q670 HydrophobicContact CD1-CG 3.53Å; F606-Q670 HydrophobicContact CD2-CG 4.3Å; F606-Q670 HydrophobicContact CE1-CG 4.07Å; F606-Q670 HydrophobicContact CG-CG 3.67Å
607	A	92	Very high	87.2	Confident	14 Å²	14	62.5 Å²	62.5	12%	0.116	31%	0.305	C	S	.	.	S	Bend	trans	-124.3	149	-176.8	0	0	0	0	0	112.3	V603 L679 V682	V603-A607 HydrophobicContact CG1-CB 4.07Å; V603-A607 CarbonylContact O-C 3.48Å; V603-A607 WeakPolarHBondContact O-CA 3.15Å; V603-A607 WeakPolarHBondContact O-CB 3.26Å; V603-A607 PolarHBondContact O-N 3.07Å; V603-A607 VanDerWaalsContact O-O 3.08Å; A607-L679 HydrophobicContact CB-CD2 3.68Å; A607-V682 HydrophobicContact CB-CG1 4.01Å; A607-V682 HydrophobicContact CB-CG2 4.05Å
608	K	92.1	Very high	87.7	Confident	58 Å²	58	57.5 Å²	57.5	25%	0.252	28%	0.282	S	S	.	.			trans	-87.2	121.2	178.4	-176.1	-136.9	-101.4	-150.3	0	110.6	Y574 I610 G681 V682	Y574-K608 HydrophobicContact CE1-CD 3.7Å; Y574-K608 HydrophobicContact CE1-CG 3.52Å; Y574-K608 WeakPolarHBondContact OH-CD 2.98Å; Y574-K608 WeakPolarHBondContact OH-CE 3.25Å; Y574-K608 PolarHBondContact OH-NZ 2.86Å; K608-I610 HydrophobicContact CD-CG1 3.95Å; K608-G681 CarbonylContact O-C 3.25Å; K608-G681 WeakPolarHBondContact O-CA 3.22Å; K608-V682 PolarHBondContact O-N 3.43Å
609	E	93.8	Very high	87.9	Confident	63 Å²	63	59.8 Å²	59.8	29%	0.294	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-68.4	132.5	168.8	-170.8	69.6	-170.2	0	0	110.8	V682 T684 N685	E609-V682 CarbonylContact C-O 3.55Å; E609-V682 WeakPolarHBondContact CA-O 3.43Å; E609-T684 VanDerWaalsContact CD-OG1 3.26Å; E609-T684 PolarHBondContact OE1-N 3.43Å; E609-T684 PolarHBondContact OE1-OG1 3.31Å; E609-T684 PolarHBondContact OE2-N 3.01Å; E609-T684 PolarHBondContact OE2-OG1 3.08Å; E609-N685 WeakPolarHBondContact CG-ND2 3.5Å; E609-N685 PolarHBondContact OE1-N 2.9Å; E609-N685 PolarHBondContact OE1-ND2 3.41Å
610	I	92.3	Very high	88	Confident	7 Å²	7	62.5 Å²	62.5	4%	0.036	31%	0.307	C	S	.	.			trans	-115.1	133.6	178.1	-65.8	176.5	0	0	0	108.5	K608 V612 V615 L634 E680 V682 V683 L692	K608-I610 HydrophobicContact CD-CG1 3.95Å; I610-V612 PolarHBondContact O-N 3.08Å; I610-V615 HydrophobicContact CG2-CG2 3.69Å; I610-L634 HydrophobicContact CD1-CD1 4.16Å; I610-L634 HydrophobicContact CD1-CD2 4.09Å; I610-L634 HydrophobicContact CG2-CD1 3.83Å; I610-E680 HydrophobicContact CD1-CB 4.5Å; I610-V682 PolarHBondContact N-O 3.2Å; I610-V683 HydrophobicContact CB-CG2 4.21Å; I610-V683 HydrophobicContact CG2-CG2 4.47Å; I610-L692 HydrophobicContact CD1-CD2 4.1Å
611	D	90	Very high	87.8	Confident	86 Å²	86	64.9 Å²	64.9	46%	0.46	32%	0.319	S	S	.	.			trans	-69.2	129.7	171.2	-167.4	-66	0	0	0	110.1	S613 Y614	D611-S613 PolarHBondContact O-N 3.13Å; D611-S613 VanDerWaalsContact O-N 3.12Å; D611-S613 VanDerWaalsContact OD1-CB 3.24Å; D611-S613 WeakPolarHBondContact OD1-CB 3.47Å; D611-S613 PolarHBondContact OD1-N 3.47Å; D611-S613 PolarHBondContact OD1-OG 3.43Å; D611-Y614 HydrophobicContact CB-CD2 3.68Å; D611-Y614 HydrophobicContact CB-CE2 3.58Å; D611-Y614 HydrophobicContact CB-CG 4.42Å; D611-Y614 WeakPolarHBondContact O-CB 3.26Å; D611-Y614 PolarHBondContact O-N 3.14Å
612	V	90.1	Very high	87.1	Confident	65 Å²	65	61.6 Å²	61.6	39%	0.394	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-57	-28.8	-177.7	69	0	0	0	0	112.8	I610 Y614 V615 V683 M690	I610-V612 PolarHBondContact O-N 3.08Å; V612-Y614 PolarHBondContact O-N 3.04Å; V612-V615 PolarHBondContact O-N 3.36Å; V612-V683 HydrophobicContact CB-CG1 4.09Å; V612-V683 HydrophobicContact CG2-CG1 4.49Å; V612-M690 HydrophobicContact CG2-CE 3.79Å
613	S	88.6	Confident	86.3	Confident	88 Å²	88	65.6 Å²	65.6	62%	0.615	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64.1	-18.8	177.4	65.1	0	0	0	0	113.9	D611	D611-S613 PolarHBondContact O-N 3.13Å; D611-S613 VanDerWaalsContact O-N 3.12Å; D611-S613 VanDerWaalsContact OD1-CB 3.24Å; D611-S613 WeakPolarHBondContact OD1-CB 3.47Å; D611-S613 PolarHBondContact OD1-N 3.47Å; D611-S613 PolarHBondContact OD1-OG 3.43Å
614	Y	91.5	Very high	85	Confident	89 Å²	89	66.9 Å²	66.9	35%	0.349	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-88	-6.5	175.9	-55.3	-33.8	0	0	0	113.4	D611 V612 L634 K635 P637	D611-Y614 HydrophobicContact CB-CD2 3.68Å; D611-Y614 HydrophobicContact CB-CE2 3.58Å; D611-Y614 HydrophobicContact CB-CG 4.42Å; D611-Y614 WeakPolarHBondContact O-CB 3.26Å; D611-Y614 PolarHBondContact O-N 3.14Å; V612-Y614 PolarHBondContact O-N 3.04Å; Y614-L634 WeakPolarHBondContact O-CA 3.42Å; Y614-K635 PolarHBondContact O-N 2.65Å; Y614-P637 HydrophobicContact CD1-CG 4.48Å; Y614-P637 HydrophobicContact CE1-CG 3.69Å; Y614-P637 HydrophobicContact CE2-CG 3.93Å; Y614-P637 VanDerWaalsContact CZ-CD 3.44Å; Y614-P637 VanDerWaalsContact OH-CG 3.31Å; Y614-P637 WeakPolarHBondContact OH-CG 3.39Å
615	V	91.9	Very high	83.7	Confident	21 Å²	21	65.4 Å²	65.4	13%	0.127	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.5	-174.9	-174.4	0	0	0	0	109.4	I610 V612 L634 I646 V683 L692	I610-V615 HydrophobicContact CG2-CG2 3.69Å; V612-V615 PolarHBondContact O-N 3.36Å; V615-L634 HydrophobicContact CG2-CD1 4.05Å; V615-I646 HydrophobicContact CG1-CD1 3.56Å; V615-V683 HydrophobicContact CG2-CG2 4.3Å; V615-L692 HydrophobicContact CB-CD2 4.42Å; V615-L692 HydrophobicContact CG1-CD2 3.91Å; V615-L692 HydrophobicContact CG2-CD2 3.6Å
616	K	89.9	Confident	82.6	Confident	133 Å²	133	63.9 Å²	63.9	58%	0.578	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.3	171.6	-175.5	-176.9	178.9	-172.8	0	109.3	G632 R633	K616-G632 CarbonylContact O-C 3.56Å; K616-G632 WeakPolarHBondContact O-CA 3.11Å; K616-R633 HydrophobicContact CB-CB 4.33Å; K616-R633 PolarHBondContact N-O 3.19Å; K616-R633 PolarHBondContact O-N 3.3Å
617	I	88.8	Confident	81.7	Confident	63 Å²	63	62.8 Å²	62.8	32%	0.323	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.2	172.5	-57.3	173.8	0	0	0	107.9	C630 I646 M690	I617-C630 HydrophobicContact CG2-CB 3.56Å; I617-I646 HydrophobicContact CB-CD1 4.48Å; I617-I646 HydrophobicContact CG1-CD1 3.76Å; I617-M690 HydrophobicContact CD1-SD 4.26Å
618	E	83.3	Confident	81.1	Confident	74 Å²	74	63.6 Å²	63.6	35%	0.346	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-62.6	-179	-67.9	-176	157	0	0	111.6	R631 R633	E618-R631 WeakPolarHBondContact CA-O 3.44Å; E618-R631 WeakPolarHBondContact CB-O 3.48Å; E618-R631 PolarHBondContact N-O 3.15Å; E618-R631 IonicContact OE2-CZ 4Å; E618-R631 VanDerWaalsContact OE2-CZ 3.3Å; E618-R631 IonicContact OE2-NH1 3.56Å; E618-R631 PolarHBondContact OE2-NH1 2.97Å; E618-R631 IonicContact OE2-NH2 3.04Å; E618-R633 HydrophobicContact CG-CG 4.35Å; E618-R633 WeakPolarHBondContact OE1-CG 3.39Å; E618-R633 IonicContact OE1-CZ 3.97Å; E618-R633 IonicContact OE1-NE 2.86Å; E618-R633 PolarHBondContact OE1-NE 2.64Å; E618-R633 IonicContact OE1-NH2 3.12Å; E618-R633 IonicContact OE2-NE 2.97Å
619	E	80.9	Confident	80.7	Confident	105 Å²	105	62.5 Å²	62.5	49%	0.491	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.2	-174.5	64.9	-173.8	161.5	0	0	111.8	I621 C630 R631	E619-I621 HydrophobicContact CG-CG2 4.18Å; E619-C630 CarbonylContact O-C 3.57Å; E619-C630 WeakPolarHBondContact O-CA 3.41Å; E619-C630 WeakPolarHBondContact O-CB 3.01Å; E619-R631 HydrophobicContact CG-CB 3.93Å; E619-R631 PolarHBondContact N-O 2.98Å; E619-R631 PolarHBondContact O-N 2.9Å; E619-R631 WeakPolarHBondContact OE1-CD 3.05Å; E619-R631 IonicContact OE1-NH1 2.71Å
620	V	82	Confident	80.5	Confident	76 Å²	76	59.5 Å²	59.5	46%	0.461	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122	173.8	-178.1	0	0	0	0	108.8	E628	V620-E628 HydrophobicContact CG1-CB 4.19Å; V620-E628 HydrophobicContact CG1-CG 4.44Å; V620-E628 WeakPolarHBondContact CG2-OE2 3.4Å
621	I	78.3	Confident	80.4	Confident	81 Å²	81	61.5 Å²	61.5	42%	0.415	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-14.3	-180	59	175.2	0	0	0	112.9	E619 V629 R631 F695	E619-I621 HydrophobicContact CG-CG2 4.18Å; I621-V629 HydrophobicContact CD1-CG1 3.87Å; I621-V629 HydrophobicContact CG1-CB 4.16Å; I621-V629 HydrophobicContact CG1-CG1 3.86Å; I621-V629 WeakPolarHBondContact CG1-O 3.47Å; I621-V629 PolarHBondContact N-O 3.42Å; I621-R631 HydrophobicContact CD1-CB 4.49Å; I621-R631 HydrophobicContact CG2-CB 3.6Å; I621-F695 HydrophobicContact CD1-CD2 4.26Å; I621-F695 HydrophobicContact CD1-CE2 3.72Å
622	G	70.2	Confident	80.6	Confident	31 Å²	31	57.4 Å²	57.4	32%	0.32	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	171.8	175.9	0	0	0	0	0	113	V629	G622-V629 PolarHBondContact N-O 3.18Å; G622-V629 VanDerWaalsContact N-O 3.1Å; G622-V629 PolarHBondContact O-N 3.06Å
623	A	65.4	Low	80.7	Confident	85 Å²	85	57.7 Å²	57.7	70%	0.702	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.7	170.2	0	0	0	0	0	108.6
624	G	61	Low	81	Confident	31 Å²	31	54 Å²	54	32%	0.32	29%	0.285	S	S	.	.			trans	-105	179.7	174.2	0	0	0	0	0	112.2	F626 G627	G624-F626 VanDerWaalsContact C-N 3.3Å; G624-F626 PolarHBondContact O-N 3.37Å; G624-G627 CarbonylContact C-O 3.26Å; G624-G627 PolarHBondContact N-O 3.06Å; G624-G627 PolarHBondContact O-N 2.87Å; G624-G627 VanDerWaalsContact O-O 3.06Å
625	E	60.8	Low	81	Confident	136 Å²	136	56 Å²	56	64%	0.636	30%	0.296	S	S	*	.	S	Bend	trans	-56.5	-39.8	-179.1	-177.8	174.7	-165	0	0	113.6
626	F	62	Low	80.6	Confident	12 Å²	12	55.7 Å²	55.7	5%	0.053	30%	0.296	C	S	.	.	S	Bend	trans	-95.6	-13.1	-175	-57.4	-71	0	0	0	114.1	G624 L649 K650 Q657 E660 F661	G624-F626 VanDerWaalsContact C-N 3.3Å; G624-F626 PolarHBondContact O-N 3.37Å; F626-L649 HydrophobicContact CB-CD1 3.84Å; F626-L649 HydrophobicContact CD1-CD1 4.36Å; F626-L649 HydrophobicContact CG-CD1 4.47Å; F626-K650 PolarHBondContact O-N 2.95Å; F626-K650 VanDerWaalsContact O-N 3.15Å; F626-Q657 HydrophobicContact CD1-CB 4.36Å; F626-E660 HydrophobicContact CE1-CB 3.73Å; F626-E660 HydrophobicContact CZ-CB 3.72Å; F626-F661 HydrophobicContact CB-CD2 3.52Å; F626-F661 HydrophobicContact CB-CE2 4.02Å; F626-F661 HydrophobicContact CB-CG 4.47Å; F626-F661 HydrophobicContact CD1-CB 4.18Å; F626-F661 HydrophobicContact CD1-CD2 4.43Å; F626-F661 AromaticContact CD2-CD2 3.82Å; F626-F661 HydrophobicContact CD2-CD2 3.82Å; F626-F661 HydrophobicContact CG-CB 4.21Å; F626-F661 AromaticContact CG-CD2 3.66Å; F626-F661 HydrophobicContact CG-CD2 3.66Å; F626-F661 HydrophobicContact CG-CG 4.42Å
627	G	70.1	Confident	80.2	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	30%	0.296	C	S	.	.	S	Bend	trans	163.3	-148.9	-175.4	0	0	0	0	0	114.8	G624 T648	G624-G627 CarbonylContact C-O 3.26Å; G624-G627 PolarHBondContact N-O 3.06Å; G624-G627 PolarHBondContact O-N 2.87Å; G624-G627 VanDerWaalsContact O-O 3.06Å; G627-T648 WeakPolarHBondContact CA-O 3.29Å
628	E	79.6	Confident	79.7	Confident	30 Å²	30	55 Å²	55	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.6	178.7	-63	-173.8	162.2	0	0	110.1	L215 V620 T648	L215-E628 WeakPolarHBondContact CD2-OE2 3.42Å; V620-E628 HydrophobicContact CG1-CB 4.19Å; V620-E628 HydrophobicContact CG1-CG 4.44Å; V620-E628 WeakPolarHBondContact CG2-OE2 3.4Å; E628-T648 PolarHBondContact N-OG1 2.72Å; E628-T648 PolarHBondContact O-N 3.04Å; E628-T648 PolarHBondContact O-OG1 3.4Å
629	V	85.3	Confident	79.7	Confident	36 Å²	36	57.9 Å²	57.9	22%	0.218	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.5	168.1	-170.4	0	0	0	0	106.5	I621 G622 I646 K647	I621-V629 HydrophobicContact CD1-CG1 3.87Å; I621-V629 HydrophobicContact CG1-CB 4.16Å; I621-V629 HydrophobicContact CG1-CG1 3.86Å; I621-V629 WeakPolarHBondContact CG1-O 3.47Å; I621-V629 PolarHBondContact N-O 3.42Å; G622-V629 PolarHBondContact N-O 3.18Å; G622-V629 VanDerWaalsContact N-O 3.1Å; G622-V629 PolarHBondContact O-N 3.06Å; V629-I646 CarbonylContact C-O 3.5Å; V629-I646 WeakPolarHBondContact CA-O 3.12Å; V629-K647 HydrophobicContact CG2-CG 4.3Å
630	C	87.8	Confident	79.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.8	-179	-52.3	0	0	0	0	110.6	I617 E619 A645 I646	I617-C630 HydrophobicContact CG2-CB 3.56Å; E619-C630 CarbonylContact O-C 3.57Å; E619-C630 WeakPolarHBondContact O-CA 3.41Å; E619-C630 WeakPolarHBondContact O-CB 3.01Å; C630-A645 CarbonylContact O-C 3.55Å; C630-A645 WeakPolarHBondContact O-CA 3.26Å; C630-I646 HydrophobicContact CB-CB 4.43Å; C630-I646 PolarHBondContact N-O 3.39Å; C630-I646 PolarHBondContact O-N 3.46Å
631	R	90.9	Very high	80.3	Confident	48 Å²	48	63.1 Å²	63.1	18%	0.181	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	142.4	162	179.1	176.5	177.4	-86.2	-20.1	108.9	E618 E619 I621 C643 F695	E618-R631 WeakPolarHBondContact CA-O 3.44Å; E618-R631 WeakPolarHBondContact CB-O 3.48Å; E618-R631 PolarHBondContact N-O 3.15Å; E618-R631 IonicContact OE2-CZ 4Å; E618-R631 VanDerWaalsContact OE2-CZ 3.3Å; E618-R631 IonicContact OE2-NH1 3.56Å; E618-R631 PolarHBondContact OE2-NH1 2.97Å; E618-R631 IonicContact OE2-NH2 3.04Å; E619-R631 HydrophobicContact CG-CB 3.93Å; E619-R631 PolarHBondContact N-O 2.98Å; E619-R631 PolarHBondContact O-N 2.9Å; E619-R631 WeakPolarHBondContact OE1-CD 3.05Å; E619-R631 IonicContact OE1-NH1 2.71Å; I621-R631 HydrophobicContact CD1-CB 4.49Å; I621-R631 HydrophobicContact CG2-CB 3.6Å; R631-C643 PolarHBondContact NE-SG 3.22Å; R631-C643 VanDerWaalsContact NE-SG 3.45Å; R631-C643 PolarHBondContact NH2-SG 3.1Å; R631-C643 VanDerWaalsContact NH2-SG 3.4Å; R631-F695 HydrophobicContact CB-CD2 4.39Å; R631-F695 HydrophobicContact CB-CE2 4Å; R631-F695 HydrophobicContact CB-CZ 4.49Å; R631-F695 VanDerWaalsContact CD-CZ 3.49Å; R631-F695 HydrophobicContact CG-CD2 4.08Å; R631-F695 HydrophobicContact CG-CE1 4.4Å; R631-F695 HydrophobicContact CG-CE2 3.85Å; R631-F695 HydrophobicContact CG-CG 4.49Å; R631-F695 HydrophobicContact CG-CZ 4.03Å
632	G	93.8	Very high	80.9	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	-175.8	178.7	0	0	0	0	0	114.1	K616 C643 V644	K616-G632 CarbonylContact O-C 3.56Å; K616-G632 WeakPolarHBondContact O-CA 3.11Å; G632-C643 WeakPolarHBondContact O-CA 3.48Å; G632-V644 PolarHBondContact N-O 3.45Å; G632-V644 PolarHBondContact O-N 3.26Å
633	R	93.2	Very high	82	Confident	71 Å²	71	61.2 Å²	61.2	27%	0.268	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.9	176.6	-57.3	-66.3	-177.9	165.5	3.8	110.3	K616 E618 E641 S642	K616-R633 HydrophobicContact CB-CB 4.33Å; K616-R633 PolarHBondContact N-O 3.19Å; K616-R633 PolarHBondContact O-N 3.3Å; E618-R633 HydrophobicContact CG-CG 4.35Å; E618-R633 WeakPolarHBondContact OE1-CG 3.39Å; E618-R633 IonicContact OE1-CZ 3.97Å; E618-R633 IonicContact OE1-NE 2.86Å; E618-R633 PolarHBondContact OE1-NE 2.64Å; E618-R633 IonicContact OE1-NH2 3.12Å; E618-R633 IonicContact OE2-NE 2.97Å; R633-E641 HydrophobicContact CB-CG 4.04Å; R633-E641 HydrophobicContact CG-CG 4.45Å; R633-S642 WeakPolarHBondContact CA-O 3.37Å
634	L	94.7	Very high	83.4	Confident	11 Å²	11	57.1 Å²	57.1	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.4	171.3	178.2	64.3	0	0	0	109.1	I610 Y614 V615 E641 S642 V644 E680 L692	I610-L634 HydrophobicContact CD1-CD1 4.16Å; I610-L634 HydrophobicContact CD1-CD2 4.09Å; I610-L634 HydrophobicContact CG2-CD1 3.83Å; Y614-L634 WeakPolarHBondContact O-CA 3.42Å; V615-L634 HydrophobicContact CG2-CD1 4.05Å; L634-E641 WeakPolarHBondContact O-CA 3.48Å; L634-S642 PolarHBondContact N-O 2.66Å; L634-S642 PolarHBondContact O-N 3.37Å; L634-V644 HydrophobicContact CB-CG1 3.68Å; L634-V644 HydrophobicContact CB-CG2 4.18Å; L634-V644 HydrophobicContact CD2-CG1 4.24Å; L634-E680 HydrophobicContact CD2-CB 4.04Å; L634-E680 HydrophobicContact CD2-CG 4.38Å; L634-L692 HydrophobicContact CD1-CD2 4.24Å
635	K	91.8	Very high	85.1	Confident	131 Å²	131	56.2 Å²	56.2	57%	0.57	30%	0.298	S	S	*	.			trans	-125.9	76.7	178.4	-169.3	179.4	179.6	178.7	0	110.5	Y614 E641	Y614-K635 PolarHBondContact O-N 2.65Å; K635-E641 HydrophobicContact CB-CG 4.47Å
636	A	82.6	Confident	86.6	Confident	15 Å²	15	49.8 Å²	49.8	12%	0.124	27%	0.268	C	S	.	.			trans	-71.3	149.7	174	0	0	0	0	0	111.5	G638 K639	A636-G638 PolarHBondContact O-N 2.84Å; A636-K639 HydrophobicContact CB-CB 4.42Å; A636-K639 PolarHBondContact O-N 2.9Å; A636-K639 VanDerWaalsContact O-N 3.1Å
637	P	81.6	Confident	88	Confident	90 Å²	90	50.9 Å²	50.9	58%	0.584	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	129	177.4	-25	33.3	0	0	0	111.8	Y614 K639	Y614-P637 HydrophobicContact CD1-CG 4.48Å; Y614-P637 HydrophobicContact CE1-CG 3.69Å; Y614-P637 HydrophobicContact CE2-CG 3.93Å; Y614-P637 VanDerWaalsContact CZ-CD 3.44Å; Y614-P637 VanDerWaalsContact OH-CG 3.31Å; Y614-P637 WeakPolarHBondContact OH-CG 3.39Å; P637-K639 PolarHBondContact O-N 3.11Å
638	G	78.4	Confident	88.8	Confident	92 Å²	92	51.3 Å²	51.3	95%	0.948	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	1.7	178.5	0	0	0	0	0	115.9	A636	A636-G638 PolarHBondContact O-N 2.84Å
639	K	83.5	Confident	88.9	Confident	134 Å²	134	50 Å²	50	58%	0.583	27%	0.269	S	S	*	.	S	Bend	trans	-109	153.2	173.9	-67.2	-164.2	176.9	-165.7	0	111.9	A636 P637	A636-K639 HydrophobicContact CB-CB 4.42Å; A636-K639 PolarHBondContact O-N 2.9Å; A636-K639 VanDerWaalsContact O-N 3.1Å; P637-K639 PolarHBondContact O-N 3.11Å
640	K	85	Confident	88.3	Confident	194 Å²	194	53.4 Å²	53.4	84%	0.843	28%	0.281	S	S	*	.			trans	-66.9	142.5	170.2	-171	178.7	178.7	-177.1	0	109	S642	K640-S642 PolarHBondContact O-N 2.97Å
641	E	89.7	Confident	87.4	Confident	97 Å²	97	56.7 Å²	56.7	45%	0.453	32%	0.315	S	S	.	.			trans	-58.9	128.3	173.7	-173.8	177.3	-97.4	0	0	110.6	R633 L634 K635	R633-E641 HydrophobicContact CB-CG 4.04Å; R633-E641 HydrophobicContact CG-CG 4.45Å; L634-E641 WeakPolarHBondContact O-CA 3.48Å; K635-E641 HydrophobicContact CB-CG 4.47Å
642	S	91.1	Very high	86.4	Confident	39 Å²	39	58.4 Å²	58.4	27%	0.273	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	151.9	177.6	62.3	0	0	0	0	111.3	R633 L634 K640	R633-S642 WeakPolarHBondContact CA-O 3.37Å; L634-S642 PolarHBondContact N-O 2.66Å; L634-S642 PolarHBondContact O-N 3.37Å; K640-S642 PolarHBondContact O-N 2.97Å
643	C	93.7	Very high	85.5	Confident	32 Å²	32	61.1 Å²	61.1	22%	0.216	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.2	172.5	-159.8	0	0	0	0	109.1	R631 G632 F695	R631-C643 PolarHBondContact NE-SG 3.22Å; R631-C643 VanDerWaalsContact NE-SG 3.45Å; R631-C643 PolarHBondContact NH2-SG 3.1Å; R631-C643 VanDerWaalsContact NH2-SG 3.4Å; G632-C643 WeakPolarHBondContact O-CA 3.48Å; C643-F695 HydrophobicContact CB-CB 4.03Å; C643-F695 HydrophobicContact CB-CD1 4.33Å; C643-F695 HydrophobicContact CB-CG 4.48Å; C643-F695 WeakPolarHBondContact O-CB 3.06Å; C643-F695 PolarHBondContact O-N 3.31Å; C643-F695 VanDerWaalsContact SG-CD1 3.53Å
644	V	96	Very high	84.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.8	-176.7	-65.4	0	0	0	0	111.1	G632 L634 I646 E680 L692 T693	G632-V644 PolarHBondContact N-O 3.45Å; G632-V644 PolarHBondContact O-N 3.26Å; L634-V644 HydrophobicContact CB-CG1 3.68Å; L634-V644 HydrophobicContact CB-CG2 4.18Å; L634-V644 HydrophobicContact CD2-CG1 4.24Å; V644-I646 HydrophobicContact CG2-CD1 4.01Å; V644-I646 HydrophobicContact CG2-CG1 3.8Å; V644-E680 HydrophobicContact CG1-CG 3.94Å; V644-L692 HydrophobicContact CG2-CD2 4.29Å; V644-T693 CarbonylContact C-O 3.59Å; V644-T693 WeakPolarHBondContact CA-O 3.34Å; V644-T693 WeakPolarHBondContact CB-O 3.17Å
645	A	94.8	Very high	83.9	Confident	12 Å²	12	67 Å²	67	10%	0.099	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	163.3	0	0	0	0	0	108.2	C630 L692 T693 F695	C630-A645 CarbonylContact O-C 3.55Å; C630-A645 WeakPolarHBondContact O-CA 3.26Å; A645-L692 WeakPolarHBondContact O-CA 3.32Å; A645-T693 PolarHBondContact N-O 2.99Å; A645-T693 PolarHBondContact O-N 3.17Å; A645-F695 HydrophobicContact CB-CD2 4.26Å
646	I	93.7	Very high	83.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	104.1	-172	-52.8	175.5	0	0	0	106.9	V615 I617 V629 C630 V644 T648 M690 I691 L692	V615-I646 HydrophobicContact CG1-CD1 3.56Å; I617-I646 HydrophobicContact CB-CD1 4.48Å; I617-I646 HydrophobicContact CG1-CD1 3.76Å; V629-I646 CarbonylContact C-O 3.5Å; V629-I646 WeakPolarHBondContact CA-O 3.12Å; C630-I646 HydrophobicContact CB-CB 4.43Å; C630-I646 PolarHBondContact N-O 3.39Å; C630-I646 PolarHBondContact O-N 3.46Å; V644-I646 HydrophobicContact CG2-CD1 4.01Å; V644-I646 HydrophobicContact CG2-CG1 3.8Å; I646-T648 HydrophobicContact CG2-CG2 4.08Å; I646-M690 HydrophobicContact CG2-CB 3.98Å; I646-M690 HydrophobicContact CG2-CG 4.22Å; I646-M690 HydrophobicContact CG2-SD 3.87Å; I646-I691 WeakPolarHBondContact CA-O 3.31Å; I646-L692 HydrophobicContact CG1-CG 4.28Å
647	K	91	Very high	82.8	Confident	36 Å²	36	70.2 Å²	70.2	16%	0.157	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.3	170.3	-155.4	-178.6	-169.2	176.4	0	107.1	V629 F661 E664 M690 I691	V629-K647 HydrophobicContact CG2-CG 4.3Å; K647-F661 HydrophobicContact CB-CE2 4.21Å; K647-F661 HydrophobicContact CB-CZ 4.45Å; K647-F661 HydrophobicContact CD-CD2 4.49Å; K647-F661 HydrophobicContact CD-CE2 3.93Å; K647-F661 HydrophobicContact CG-CE2 3.87Å; K647-F661 WeakPolarHBondContact O-CZ 3.12Å; K647-E664 IonicContact NZ-OE1 3.89Å; K647-E664 PolarHBondContact NZ-OE1 3.45Å; K647-E664 IonicContact NZ-OE2 2.64Å; K647-E664 PolarHBondContact NZ-OE2 3.01Å; K647-M690 CarbonylContact O-C 3.44Å; K647-M690 VanDerWaalsContact O-CA 3.29Å; K647-M690 WeakPolarHBondContact O-CA 3.5Å; K647-I691 HydrophobicContact CB-CB 4.26Å; K647-I691 PolarHBondContact N-O 3.39Å; K647-I691 PolarHBondContact O-N 3.36Å
648	T	87.3	Confident	82.9	Confident	10 Å²	10	67.5 Å²	67.5	6%	0.061	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143	179.5	58.7	0	0	0	0	110.6	G627 E628 I646 P688 M690	G627-T648 WeakPolarHBondContact CA-O 3.29Å; E628-T648 PolarHBondContact N-OG1 2.72Å; E628-T648 PolarHBondContact O-N 3.04Å; E628-T648 PolarHBondContact O-OG1 3.4Å; I646-T648 HydrophobicContact CG2-CG2 4.08Å; T648-P688 HydrophobicContact CG2-CG 4.25Å; T648-M690 HydrophobicContact CG2-CG 4.29Å
649	L	81.8	Confident	83.1	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-91.7	116.7	172.3	-171.3	63.5	0	0	0	109.5	F626 Y653 R658 F661 V689	F626-L649 HydrophobicContact CB-CD1 3.84Å; F626-L649 HydrophobicContact CD1-CD1 4.36Å; F626-L649 HydrophobicContact CG-CD1 4.47Å; L649-Y653 HydrophobicContact CB-CD1 4.49Å; L649-Y653 HydrophobicContact CD1-CD1 4.3Å; L649-Y653 HydrophobicContact CD1-CG 4.31Å; L649-Y653 HydrophobicContact CD2-CD1 3.4Å; L649-Y653 VanDerWaalsContact CD2-CD1 3.4Å; L649-Y653 HydrophobicContact CD2-CD2 4.12Å; L649-Y653 HydrophobicContact CD2-CE1 3.45Å; L649-Y653 VanDerWaalsContact CD2-CE1 3.45Å; L649-Y653 HydrophobicContact CD2-CE2 4.23Å; L649-Y653 HydrophobicContact CD2-CG 3.74Å; L649-Y653 HydrophobicContact CG-CD1 3.42Å; L649-Y653 VanDerWaalsContact CG-CD1 3.42Å; L649-Y653 HydrophobicContact CG-CE1 3.89Å; L649-Y653 HydrophobicContact CG-CG 3.88Å; L649-R658 HydrophobicContact CD2-CB 4.3Å; L649-R658 HydrophobicContact CD2-CG 4.13Å; L649-F661 HydrophobicContact CB-CD1 4Å; L649-F661 HydrophobicContact CB-CD2 4.41Å; L649-F661 HydrophobicContact CB-CE1 3.83Å; L649-F661 HydrophobicContact CB-CE2 4.23Å; L649-F661 HydrophobicContact CB-CG 4.27Å; L649-F661 HydrophobicContact CB-CZ 3.94Å; L649-F661 HydrophobicContact CD1-CB 3.98Å; L649-F661 HydrophobicContact CD1-CD1 4.38Å; L649-F661 HydrophobicContact CD1-CD2 4.06Å; L649-F661 HydrophobicContact CD1-CG 3.9Å; L649-F661 HydrophobicContact CD2-CB 4.42Å; L649-F661 HydrophobicContact CD2-CD1 4.06Å; L649-F661 HydrophobicContact CD2-CG 4.32Å; L649-F661 HydrophobicContact CG-CD1 4.37Å; L649-F661 HydrophobicContact CG-CG 4.38Å; L649-V689 HydrophobicContact CB-CB 4.1Å; L649-V689 HydrophobicContact CD2-CB 4.31Å; L649-V689 HydrophobicContact CD2-CG2 4.48Å; L649-V689 PolarHBondContact N-O 2.92Å
650	K	71.8	Confident	82.9	Confident	107 Å²	107	63.4 Å²	63.4	47%	0.465	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-63.9	144	-177	-79.6	172.5	176.2	167.6	0	112.6	F626 Y653	F626-K650 PolarHBondContact O-N 2.95Å; F626-K650 VanDerWaalsContact O-N 3.15Å; K650-Y653 VanDerWaalsContact O-CD1 3.23Å; K650-Y653 WeakPolarHBondContact O-CD1 3.32Å
651	G	69.9	Low	83	Confident	69 Å²	69	54.1 Å²	54.1	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	142.9	173.3	0	0	0	0	0	112.7
652	G	68.9	Low	82.9	Confident	85 Å²	85	49.6 Å²	49.6	88%	0.876	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	15	-176.8	0	0	0	0	0	115.1
653	Y	74.4	Confident	82.6	Confident	56 Å²	56	48.1 Å²	48.1	22%	0.22	26%	0.263	C	S	.	.			trans	-63.5	152.8	174.3	63.6	-107.4	0	0	0	112.3	L649 K650 R658 M687	L649-Y653 HydrophobicContact CB-CD1 4.49Å; L649-Y653 HydrophobicContact CD1-CD1 4.3Å; L649-Y653 HydrophobicContact CD1-CG 4.31Å; L649-Y653 HydrophobicContact CD2-CD1 3.4Å; L649-Y653 VanDerWaalsContact CD2-CD1 3.4Å; L649-Y653 HydrophobicContact CD2-CD2 4.12Å; L649-Y653 HydrophobicContact CD2-CE1 3.45Å; L649-Y653 VanDerWaalsContact CD2-CE1 3.45Å; L649-Y653 HydrophobicContact CD2-CE2 4.23Å; L649-Y653 HydrophobicContact CD2-CG 3.74Å; L649-Y653 HydrophobicContact CG-CD1 3.42Å; L649-Y653 VanDerWaalsContact CG-CD1 3.42Å; L649-Y653 HydrophobicContact CG-CE1 3.89Å; L649-Y653 HydrophobicContact CG-CG 3.88Å; K650-Y653 VanDerWaalsContact O-CD1 3.23Å; K650-Y653 WeakPolarHBondContact O-CD1 3.32Å; Y653-R658 HydrophobicContact CD2-CB 3.69Å; Y653-R658 HydrophobicContact CD2-CG 4.28Å; Y653-R658 HydrophobicContact CE2-CB 3.55Å; Y653-R658 HydrophobicContact CE2-CG 3.67Å; Y653-M687 HydrophobicContact CE1-CE 4.11Å
654	T	78	Confident	82.3	Confident	75 Å²	75	47.2 Å²	47.2	46%	0.46	26%	0.255	S	S	.	.			trans	-80.5	153.5	169.4	62.2	0	0	0	0	111.2	R656 Q657 R658	T654-R656 PolarHBondContact O-N 2.95Å; T654-Q657 PolarHBondContact O-N 2.91Å; T654-Q657 WeakPolarHBondContact OG1-CG 3.25Å; T654-Q657 PolarHBondContact OG1-N 2.97Å; T654-Q657 PolarHBondContact OG1-OE1 3.02Å; T654-R658 PolarHBondContact O-N 3.24Å
655	E	77.2	Confident	82.1	Confident	132 Å²	132	47.2 Å²	47.2	62%	0.617	26%	0.255	S	S	*	.	H	α-helix	trans	-55.7	-27.5	174	-78.9	-56.5	127.4	0	0	113.1	R659	E655-R659 WeakPolarHBondContact O-CB 3.46Å; E655-R659 PolarHBondContact O-N 3.39Å
656	R	74.6	Confident	81.9	Confident	139 Å²	139	46.7 Å²	46.7	53%	0.525	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-51.6	171.9	179.5	177.1	171.5	178.4	-3.4	111.9	T654 R658 R659 E660 E766	T654-R656 PolarHBondContact O-N 2.95Å; R656-R658 PolarHBondContact O-N 2.8Å; R656-R659 WeakPolarHBondContact O-CB 3.45Å; R656-R659 PolarHBondContact O-N 3.38Å; R656-R659 VanDerWaalsContact O-N 3.1Å; R656-E660 WeakPolarHBondContact CG-OE1 3.07Å; R656-E660 IonicContact CZ-OE1 2.93Å; R656-E660 IonicContact NE-OE1 3.78Å; R656-E660 PolarHBondContact NE-OE1 2.87Å; R656-E660 IonicContact NH2-OE1 3.97Å; R656-E660 WeakPolarHBondContact O-CG 3.23Å; R656-E660 PolarHBondContact O-N 2.99Å; R656-E766 PolarHBondContact NH2-O 3.07Å
657	Q	76.6	Confident	81.6	Confident	74 Å²	74	46.7 Å²	46.7	35%	0.346	25%	0.251	S	S	.	.	H	α-helix	trans	-60.8	-36.9	176.9	-73.8	166.3	-49.1	0	0	111.6	F626 T654 E660 F661	F626-Q657 HydrophobicContact CD1-CB 4.36Å; T654-Q657 PolarHBondContact O-N 2.91Å; T654-Q657 WeakPolarHBondContact OG1-CG 3.25Å; T654-Q657 PolarHBondContact OG1-N 2.97Å; T654-Q657 PolarHBondContact OG1-OE1 3.02Å; Q657-E660 PolarHBondContact O-N 2.59Å; Q657-F661 VanDerWaalsContact O-CB 3.22Å; Q657-F661 WeakPolarHBondContact O-CB 3.4Å; Q657-F661 PolarHBondContact O-N 2.88Å
658	R	84.2	Confident	81.7	Confident	32 Å²	32	45.2 Å²	45.2	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-48.1	172.5	-167.2	-172.1	-178.4	-90.8	-8.4	111.7	N600 L649 Y653 T654 R656 F661 L662	N600-R658 PolarHBondContact ND2-NH1 2.77Å; N600-R658 PolarHBondContact OD1-NH1 2.81Å; N600-R658 PolarHBondContact OD1-NH2 3.2Å; L649-R658 HydrophobicContact CD2-CB 4.3Å; L649-R658 HydrophobicContact CD2-CG 4.13Å; Y653-R658 HydrophobicContact CD2-CB 3.69Å; Y653-R658 HydrophobicContact CD2-CG 4.28Å; Y653-R658 HydrophobicContact CE2-CB 3.55Å; Y653-R658 HydrophobicContact CE2-CG 3.67Å; T654-R658 PolarHBondContact O-N 3.24Å; R656-R658 PolarHBondContact O-N 2.8Å; R658-F661 PolarHBondContact O-N 3.02Å; R658-L662 HydrophobicContact CG-CD1 4.32Å; R658-L662 WeakPolarHBondContact O-CB 3.49Å; R658-L662 WeakPolarHBondContact O-CG 3.44Å; R658-L662 PolarHBondContact O-N 3.36Å
659	R	82.6	Confident	81.9	Confident	100 Å²	100	46.1 Å²	46.1	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-46.5	178.2	175.4	178.3	-56.4	-121.9	-0.2	111.5	F594 E597 P599 E655 R656 L662 S663	F594-R659 HydrophobicContact CE1-CG 4.38Å; E597-R659 PolarHBondContact O-NH2 3.17Å; P599-R659 HydrophobicContact CB-CG 4.39Å; P599-R659 HydrophobicContact CG-CB 3.88Å; P599-R659 HydrophobicContact CG-CG 3.66Å; E655-R659 WeakPolarHBondContact O-CB 3.46Å; E655-R659 PolarHBondContact O-N 3.39Å; R656-R659 WeakPolarHBondContact O-CB 3.45Å; R656-R659 PolarHBondContact O-N 3.38Å; R656-R659 VanDerWaalsContact O-N 3.1Å; R659-L662 PolarHBondContact O-N 2.82Å; R659-S663 VanDerWaalsContact O-CB 3.25Å; R659-S663 WeakPolarHBondContact O-CB 3.36Å; R659-S663 PolarHBondContact O-N 3.41Å; R659-S663 PolarHBondContact O-OG 2.92Å
660	E	79.2	Confident	82.3	Confident	40 Å²	40	46.5 Å²	46.5	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-48.4	178	-71.8	165.7	179.5	0	0	110.7	F626 R656 Q657 L662 S663 E664	F626-E660 HydrophobicContact CE1-CB 3.73Å; F626-E660 HydrophobicContact CZ-CB 3.72Å; R656-E660 WeakPolarHBondContact CG-OE1 3.07Å; R656-E660 IonicContact CZ-OE1 2.93Å; R656-E660 IonicContact NE-OE1 3.78Å; R656-E660 PolarHBondContact NE-OE1 2.87Å; R656-E660 IonicContact NH2-OE1 3.97Å; R656-E660 WeakPolarHBondContact O-CG 3.23Å; R656-E660 PolarHBondContact O-N 2.99Å; Q657-E660 PolarHBondContact O-N 2.59Å; E660-L662 PolarHBondContact O-N 3.35Å; E660-S663 WeakPolarHBondContact CA-OG 3.43Å; E660-S663 PolarHBondContact O-N 3.12Å; E660-S663 PolarHBondContact O-OG 3.33Å; E660-E664 PolarHBondContact O-N 2.68Å; E660-E664 VanDerWaalsContact O-N 3.07Å
661	F	86.3	Confident	83.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-51.2	176.2	-173.7	-102.1	0	0	0	112.4	F626 K647 L649 Q657 R658 S663 E664 A665 V689 I691	F626-F661 HydrophobicContact CB-CD2 3.52Å; F626-F661 HydrophobicContact CB-CE2 4.02Å; F626-F661 HydrophobicContact CB-CG 4.47Å; F626-F661 HydrophobicContact CD1-CB 4.18Å; F626-F661 HydrophobicContact CD1-CD2 4.43Å; F626-F661 AromaticContact CD2-CD2 3.82Å; F626-F661 HydrophobicContact CD2-CD2 3.82Å; F626-F661 HydrophobicContact CG-CB 4.21Å; F626-F661 AromaticContact CG-CD2 3.66Å; F626-F661 HydrophobicContact CG-CD2 3.66Å; F626-F661 HydrophobicContact CG-CG 4.42Å; K647-F661 HydrophobicContact CB-CE2 4.21Å; K647-F661 HydrophobicContact CB-CZ 4.45Å; K647-F661 HydrophobicContact CD-CD2 4.49Å; K647-F661 HydrophobicContact CD-CE2 3.93Å; K647-F661 HydrophobicContact CG-CE2 3.87Å; K647-F661 WeakPolarHBondContact O-CZ 3.12Å; L649-F661 HydrophobicContact CB-CD1 4Å; L649-F661 HydrophobicContact CB-CD2 4.41Å; L649-F661 HydrophobicContact CB-CE1 3.83Å; L649-F661 HydrophobicContact CB-CE2 4.23Å; L649-F661 HydrophobicContact CB-CG 4.27Å; L649-F661 HydrophobicContact CB-CZ 3.94Å; L649-F661 HydrophobicContact CD1-CB 3.98Å; L649-F661 HydrophobicContact CD1-CD1 4.38Å; L649-F661 HydrophobicContact CD1-CD2 4.06Å; L649-F661 HydrophobicContact CD1-CG 3.9Å; L649-F661 HydrophobicContact CD2-CB 4.42Å; L649-F661 HydrophobicContact CD2-CD1 4.06Å; L649-F661 HydrophobicContact CD2-CG 4.32Å; L649-F661 HydrophobicContact CG-CD1 4.37Å; L649-F661 HydrophobicContact CG-CG 4.38Å; Q657-F661 VanDerWaalsContact O-CB 3.22Å; Q657-F661 WeakPolarHBondContact O-CB 3.4Å; Q657-F661 PolarHBondContact O-N 2.88Å; R658-F661 PolarHBondContact O-N 3.02Å; F661-S663 VanDerWaalsContact C-N 3.33Å; F661-S663 PolarHBondContact O-N 3.47Å; F661-E664 WeakPolarHBondContact O-CB 3.49Å; F661-E664 PolarHBondContact O-N 3.24Å; F661-A665 PolarHBondContact O-N 3.07Å; F661-V689 HydrophobicContact CD1-CG1 4.18Å; F661-V689 HydrophobicContact CE1-CB 4.25Å; F661-V689 HydrophobicContact CE1-CG1 3.82Å; F661-I691 HydrophobicContact CD1-CD1 3.83Å; F661-I691 HydrophobicContact CD1-CG1 4.17Å; F661-I691 HydrophobicContact CD2-CD1 3.92Å; F661-I691 HydrophobicContact CE1-CD1 3.63Å; F661-I691 HydrophobicContact CE1-CG1 3.54Å; F661-I691 HydrophobicContact CE2-CD1 3.76Å; F661-I691 HydrophobicContact CE2-CG1 4.24Å; F661-I691 HydrophobicContact CG-CD1 3.98Å; F661-I691 HydrophobicContact CZ-CB 4.31Å; F661-I691 HydrophobicContact CZ-CD1 3.61Å; F661-I691 HydrophobicContact CZ-CG1 3.6Å; F661-I691 WeakPolarHBondContact O-CD1 3.44Å
662	L	88.4	Confident	84.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-34.7	178.8	-70.9	-175	0	0	0	112.7	P599 V603 R658 R659 E660 E664 A665 S666 T684 V689	P599-L662 HydrophobicContact CB-CB 4.23Å; P599-L662 HydrophobicContact CB-CD1 4.19Å; V603-L662 HydrophobicContact CG2-CB 3.72Å; V603-L662 HydrophobicContact CG2-CD1 4.45Å; V603-L662 HydrophobicContact CG2-CD2 4.09Å; V603-L662 HydrophobicContact CG2-CG 4.27Å; R658-L662 HydrophobicContact CG-CD1 4.32Å; R658-L662 WeakPolarHBondContact O-CB 3.49Å; R658-L662 WeakPolarHBondContact O-CG 3.44Å; R658-L662 PolarHBondContact O-N 3.36Å; R659-L662 PolarHBondContact O-N 2.82Å; E660-L662 PolarHBondContact O-N 3.35Å; L662-E664 VanDerWaalsContact C-N 3.31Å; L662-E664 PolarHBondContact O-N 3.31Å; L662-A665 WeakPolarHBondContact O-CB 3.44Å; L662-A665 PolarHBondContact O-N 3.32Å; L662-S666 PolarHBondContact O-N 3.04Å; L662-S666 PolarHBondContact O-OG 3.33Å; L662-T684 HydrophobicContact CD2-CG2 3.96Å; L662-V689 HydrophobicContact CD2-CG1 3.93Å
663	S	85.1	Confident	85.7	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-37.1	176.6	73.6	0	0	0	0	112.1	R659 E660 F661 A665 S666 I667	R659-S663 VanDerWaalsContact O-CB 3.25Å; R659-S663 WeakPolarHBondContact O-CB 3.36Å; R659-S663 PolarHBondContact O-N 3.41Å; R659-S663 PolarHBondContact O-OG 2.92Å; E660-S663 WeakPolarHBondContact CA-OG 3.43Å; E660-S663 PolarHBondContact O-N 3.12Å; E660-S663 PolarHBondContact O-OG 3.33Å; F661-S663 VanDerWaalsContact C-N 3.33Å; F661-S663 PolarHBondContact O-N 3.47Å; S663-A665 VanDerWaalsContact C-N 3.31Å; S663-A665 PolarHBondContact O-N 3.36Å; S663-S666 PolarHBondContact O-N 2.91Å; S663-I667 VanDerWaalsContact O-CG1 3.26Å; S663-I667 WeakPolarHBondContact O-CG1 3.43Å; S663-I667 PolarHBondContact O-N 3.26Å
664	E	87.1	Confident	86.7	Confident	13 Å²	13	44.9 Å²	44.9	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.5	-166.4	-175.4	157	0	0	110.7	K647 E660 F661 L662 I667 M668	K647-E664 IonicContact NZ-OE1 3.89Å; K647-E664 PolarHBondContact NZ-OE1 3.45Å; K647-E664 IonicContact NZ-OE2 2.64Å; K647-E664 PolarHBondContact NZ-OE2 3.01Å; E660-E664 PolarHBondContact O-N 2.68Å; E660-E664 VanDerWaalsContact O-N 3.07Å; F661-E664 WeakPolarHBondContact O-CB 3.49Å; F661-E664 PolarHBondContact O-N 3.24Å; L662-E664 VanDerWaalsContact C-N 3.31Å; L662-E664 PolarHBondContact O-N 3.31Å; E664-I667 PolarHBondContact O-N 3.2Å; E664-M668 HydrophobicContact CG-CE 4.02Å; E664-M668 WeakPolarHBondContact O-CE 3.42Å; E664-M668 WeakPolarHBondContact O-CG 3.19Å; E664-M668 PolarHBondContact O-N 3.3Å
665	A	90.9	Very high	87.7	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-44.9	174.7	0	0	0	0	0	112.4	F661 L662 S663 I667 M668 G669 L679 V682 I691	F661-A665 PolarHBondContact O-N 3.07Å; L662-A665 WeakPolarHBondContact O-CB 3.44Å; L662-A665 PolarHBondContact O-N 3.32Å; S663-A665 VanDerWaalsContact C-N 3.31Å; S663-A665 PolarHBondContact O-N 3.36Å; A665-I667 VanDerWaalsContact C-N 3.29Å; A665-I667 PolarHBondContact O-N 3.48Å; A665-M668 PolarHBondContact O-N 3.16Å; A665-G669 PolarHBondContact O-N 3.04Å; A665-L679 WeakPolarHBondContact O-CD2 3.31Å; A665-V682 HydrophobicContact CB-CG1 3.56Å; A665-I691 HydrophobicContact CB-CD1 3.91Å; A665-I691 HydrophobicContact CB-CG1 3.95Å; A665-I691 HydrophobicContact CB-CG2 4.22Å
666	S	90.3	Very high	88.6	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-63.7	-32.2	178.5	-61	0	0	0	0	113.3	V603 F606 L662 S663 Q670	V603-S666 WeakPolarHBondContact CA-OG 3.25Å; V603-S666 WeakPolarHBondContact CG2-OG 3.3Å; V603-S666 PolarHBondContact N-OG 3.09Å; F606-S666 WeakPolarHBondContact CB-O 3.43Å; L662-S666 PolarHBondContact O-N 3.04Å; L662-S666 PolarHBondContact O-OG 3.33Å; S663-S666 PolarHBondContact O-N 2.91Å; S666-Q670 WeakPolarHBondContact O-CG 3.31Å; S666-Q670 PolarHBondContact O-NE2 3.14Å; S666-Q670 VanDerWaalsContact O-NE2 3.12Å
667	I	89.1	Confident	89.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.1	-51.9	173.4	-66.1	168	0	0	0	109.7	Y590 P593 S663 E664 A665 G669 Q670 F671 Y736 F759 S762	Y590-I667 HydrophobicContact CE2-CB 4.47Å; Y590-I667 HydrophobicContact CE2-CG1 4.18Å; Y590-I667 HydrophobicContact CE2-CG2 4.05Å; P593-I667 HydrophobicContact CG-CG1 3.84Å; S663-I667 VanDerWaalsContact O-CG1 3.26Å; S663-I667 WeakPolarHBondContact O-CG1 3.43Å; S663-I667 PolarHBondContact O-N 3.26Å; E664-I667 PolarHBondContact O-N 3.2Å; A665-I667 VanDerWaalsContact C-N 3.29Å; A665-I667 PolarHBondContact O-N 3.48Å; I667-G669 VanDerWaalsContact C-N 3.27Å; I667-G669 PolarHBondContact O-N 3.25Å; I667-Q670 PolarHBondContact O-N 2.95Å; I667-F671 HydrophobicContact CG2-CD2 4.37Å; I667-F671 HydrophobicContact CG2-CE2 3.5Å; I667-F671 VanDerWaalsContact CG2-CE2 3.5Å; I667-F671 HydrophobicContact CG2-CZ 4.07Å; I667-F671 WeakPolarHBondContact O-CD2 3.42Å; I667-Y736 HydrophobicContact CG2-CE2 3.85Å; I667-F759 HydrophobicContact CB-CB 4.3Å; I667-F759 HydrophobicContact CG2-CB 3.74Å; I667-F759 HydrophobicContact CG2-CD1 4.09Å; I667-F759 HydrophobicContact CG2-CG 3.96Å; I667-S762 VanDerWaalsContact CD1-OG 3.28Å; I667-S762 WeakPolarHBondContact CD1-OG 3.49Å
668	M	91.3	Very high	90.4	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-38.7	-179.5	-72.2	-174.7	-66.5	0	0	112.5	E664 A665 Q670 F671 I677 L679 I691 T693 F759	E664-M668 HydrophobicContact CG-CE 4.02Å; E664-M668 WeakPolarHBondContact O-CE 3.42Å; E664-M668 WeakPolarHBondContact O-CG 3.19Å; E664-M668 PolarHBondContact O-N 3.3Å; A665-M668 PolarHBondContact O-N 3.16Å; M668-Q670 PolarHBondContact O-N 3.41Å; M668-Q670 VanDerWaalsContact O-N 3.16Å; M668-F671 PolarHBondContact O-N 2.94Å; M668-F671 VanDerWaalsContact O-N 3.1Å; M668-I677 HydrophobicContact SD-CG2 4.17Å; M668-L679 HydrophobicContact CB-CB 4.06Å; M668-L679 HydrophobicContact CE-CD1 4.24Å; M668-I691 HydrophobicContact CE-CG2 3.63Å; M668-T693 HydrophobicContact CE-CG2 4.2Å; M668-T693 HydrophobicContact SD-CG2 4.01Å; M668-F759 HydrophobicContact CG-CD2 3.36Å; M668-F759 HydrophobicContact CG-CE2 3.78Å; M668-F759 HydrophobicContact CG-CG 4.34Å; M668-F759 HydrophobicContact SD-CD2 4.14Å
669	G	91.4	Very high	91	Very high	28 Å²	28	29.8 Å²	29.8	29%	0.289	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	-179.3	0	0	0	0	0	114.8	F606 A665 I667	F606-G669 CarbonylContact O-C 3.55Å; F606-G669 WeakPolarHBondContact O-CA 3.12Å; A665-G669 PolarHBondContact O-N 3.04Å; I667-G669 VanDerWaalsContact C-N 3.27Å; I667-G669 PolarHBondContact O-N 3.25Å
670	Q	91.9	Very high	91.5	Very high	10 Å²	10	26.5 Å²	26.5	5%	0.047	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.9	177.2	-66.9	177.4	62.8	0	0	113.5	K588 I591 F606 S666 I667 M668	K588-Q670 PolarHBondContact NZ-O 2.87Å; I591-Q670 PolarHBondContact O-NE2 3.47Å; I591-Q670 PolarHBondContact O-OE1 2.87Å; F606-Q670 HydrophobicContact CB-CG 4Å; F606-Q670 HydrophobicContact CD1-CG 3.53Å; F606-Q670 HydrophobicContact CD2-CG 4.3Å; F606-Q670 HydrophobicContact CE1-CG 4.07Å; F606-Q670 HydrophobicContact CG-CG 3.67Å; S666-Q670 WeakPolarHBondContact O-CG 3.31Å; S666-Q670 PolarHBondContact O-NE2 3.14Å; S666-Q670 VanDerWaalsContact O-NE2 3.12Å; I667-Q670 PolarHBondContact O-N 2.95Å; M668-Q670 PolarHBondContact O-N 3.41Å; M668-Q670 VanDerWaalsContact O-N 3.16Å
671	F	92.6	Very high	92.2	Very high	9 Å²	9	24.6 Å²	24.6	4%	0.039	13%	0.128	C	C	.	.			trans	-104.6	136.5	-171.5	-57.7	-38.2	0	0	0	112.8	Y590 I667 M668 I676 Y730 L731 M734 Y736 F759	Y590-F671 AromaticContact CD2-CE1 3.93Å; Y590-F671 HydrophobicContact CD2-CE1 3.93Å; Y590-F671 AromaticContact CD2-CZ 3.67Å; Y590-F671 HydrophobicContact CD2-CZ 3.67Å; Y590-F671 HydrophobicContact CE2-CZ 4.11Å; Y590-F671 HydrophobicContact CG-CZ 4.5Å; I667-F671 HydrophobicContact CG2-CD2 4.37Å; I667-F671 HydrophobicContact CG2-CE2 3.5Å; I667-F671 VanDerWaalsContact CG2-CE2 3.5Å; I667-F671 HydrophobicContact CG2-CZ 4.07Å; I667-F671 WeakPolarHBondContact O-CD2 3.42Å; M668-F671 PolarHBondContact O-N 2.94Å; M668-F671 VanDerWaalsContact O-N 3.1Å; F671-I676 HydrophobicContact CB-CG2 4.04Å; F671-Y730 HydrophobicContact CB-CE1 3.96Å; F671-Y730 HydrophobicContact CD1-CE1 4.04Å; F671-Y730 HydrophobicContact CG-CE1 4.29Å; F671-L731 HydrophobicContact CD1-CD2 4.07Å; F671-L731 HydrophobicContact CD2-CD2 3.86Å; F671-L731 HydrophobicContact CE1-CD2 4Å; F671-L731 HydrophobicContact CE2-CD2 3.75Å; F671-L731 HydrophobicContact CG-CD2 4.02Å; F671-L731 HydrophobicContact CZ-CD2 3.86Å; F671-M734 HydrophobicContact CD1-CG 4.48Å; F671-M734 HydrophobicContact CE1-CB 4.29Å; F671-Y736 HydrophobicContact CE1-CG 4.4Å; F671-Y736 HydrophobicContact CE2-CD1 4.28Å; F671-Y736 HydrophobicContact CE2-CD2 4.38Å; F671-Y736 HydrophobicContact CE2-CE1 4.36Å; F671-Y736 HydrophobicContact CE2-CE2 4.45Å; F671-Y736 HydrophobicContact CE2-CG 4.28Å; F671-Y736 AromaticContact CZ-CD1 3.99Å; F671-Y736 HydrophobicContact CZ-CD1 3.99Å; F671-Y736 AromaticContact CZ-CD2 3.66Å; F671-Y736 HydrophobicContact CZ-CD2 3.66Å; F671-Y736 HydrophobicContact CZ-CE1 4.43Å; F671-Y736 HydrophobicContact CZ-CE2 4.12Å; F671-Y736 AromaticContact CZ-CG 3.57Å; F671-Y736 HydrophobicContact CZ-CG 3.57Å; F671-F759 HydrophobicContact CD2-CE1 4.07Å; F671-F759 HydrophobicContact CD2-CZ 4.06Å; F671-F759 HydrophobicContact CE2-CD1 4.09Å; F671-F759 AromaticContact CE2-CE1 3.86Å; F671-F759 HydrophobicContact CE2-CE1 3.86Å; F671-F759 HydrophobicContact CE2-CZ 4.31Å
672	E	92.3	Very high	92.7	Very high	154 Å²	154	24.6 Å²	24.6	72%	0.72	13%	0.128	S	C	*	.			trans	-142.6	102.1	175.8	-171.1	174.2	-171.4	0	0	109.8	Y730	E672-Y730 PolarHBondContact N-OH 2.89Å
673	H	95.9	Very high	92.9	Very high	35 Å²	35	24.7 Å²	24.7	16%	0.162	13%	0.129	C	C	.	.			trans	-159.2	143.7	-179.9	-178.9	-87.5	0	0	0	110.5	N675 I676 S726 Y730	H673-N675 PolarHBondContact ND1-N 3.06Å; H673-N675 PolarHBondContact O-N 2.73Å; H673-N675 VanDerWaalsContact O-N 3.09Å; H673-I676 HydrophobicContact CB-CB 4.23Å; H673-I676 HydrophobicContact CB-CG1 3.87Å; H673-I676 PolarHBondContact O-N 2.97Å; H673-S726 PolarHBondContact CE1-O 2.64Å; H673-S726 PolarHBondContact CE1-OG 2.83Å; H673-S726 PolarHBondContact NE2-OG 3.43Å; H673-Y730 HydrophobicContact CB-CD1 3.73Å; H673-Y730 HydrophobicContact CB-CD2 4.17Å; H673-Y730 HydrophobicContact CB-CE1 4.01Å; H673-Y730 HydrophobicContact CB-CE2 4.42Å; H673-Y730 HydrophobicContact CB-CG 3.8Å; H673-Y730 AromaticContact CD2-CG 3.92Å; H673-Y730 AromaticContact CG-CG 3.91Å
674	P	96.3	Very high	93.2	Very high	85 Å²	85	25.7 Å²	25.7	55%	0.552	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.9	-175.5	21.9	-35.7	0	0	0	115.3	K755	P674-K755 WeakPolarHBondContact O-CE 3.48Å; P674-K755 PolarHBondContact O-NZ 2.62Å
675	N	97.9	Very high	93.1	Very high	14 Å²	14	31.7 Å²	31.7	8%	0.075	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	19.1	177.2	-58.6	106.2	0	0	0	113.8	H673 G723 C754 K755 V756	H673-N675 PolarHBondContact ND1-N 3.06Å; H673-N675 PolarHBondContact O-N 2.73Å; H673-N675 VanDerWaalsContact O-N 3.09Å; N675-G723 WeakPolarHBondContact CB-O 3.16Å; N675-G723 WeakPolarHBondContact ND2-CA 3.5Å; N675-G723 PolarHBondContact OD1-O 3.14Å; N675-C754 PolarHBondContact ND2-O 3.04Å; N675-K755 WeakPolarHBondContact O-CA 3.29Å; N675-V756 PolarHBondContact O-N 2.92Å
676	I	96.8	Very high	92.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-118.8	138.7	169.6	-60.5	-59.5	0	0	0	107.3	F671 H673 R678 Y730 L731 V756 F759	F671-I676 HydrophobicContact CB-CG2 4.04Å; H673-I676 HydrophobicContact CB-CB 4.23Å; H673-I676 HydrophobicContact CB-CG1 3.87Å; H673-I676 PolarHBondContact O-N 2.97Å; I676-R678 PolarHBondContact O-N 3.35Å; I676-Y730 HydrophobicContact CG1-CD1 4.02Å; I676-L731 HydrophobicContact CD1-CD1 3.86Å; I676-L731 HydrophobicContact CD1-CD2 4.15Å; I676-L731 HydrophobicContact CD1-CG 3.81Å; I676-V756 HydrophobicContact CD1-CB 3.74Å; I676-V756 HydrophobicContact CD1-CG2 4.06Å; I676-F759 HydrophobicContact CG2-CE2 4.32Å; I676-F759 HydrophobicContact CG2-CZ 3.82Å
677	I	95.6	Very high	91.8	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-61.6	127.2	178	-168.2	69.1	0	0	0	109.8	M668 T693 E694 M696 L747 V756 F759	M668-I677 HydrophobicContact SD-CG2 4.17Å; I677-T693 HydrophobicContact CG1-CG2 4.44Å; I677-E694 HydrophobicContact CD1-CG 3.46Å; I677-E694 VanDerWaalsContact CD1-CG 3.46Å; I677-E694 HydrophobicContact CG1-CG 4.35Å; I677-M696 HydrophobicContact CD1-CG 3.61Å; I677-M696 HydrophobicContact CD1-SD 4.03Å; I677-L747 HydrophobicContact CD1-CD1 3.96Å; I677-L747 HydrophobicContact CG1-CD1 4.36Å; I677-V756 WeakPolarHBondContact CG2-O 3.42Å; I677-V756 PolarHBondContact N-O 3.22Å; I677-F759 HydrophobicContact CG2-CE2 3.84Å
678	R	94.3	Very high	91.5	Very high	93 Å²	93	40.4 Å²	40.4	35%	0.351	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-90.4	130.9	-176.2	-172.7	176.1	56.9	77.1	4.8	111.3	I676 E680 T693 E694	I676-R678 PolarHBondContact O-N 3.35Å; R678-E680 IonicContact CZ-OE1 3.53Å; R678-E680 VanDerWaalsContact CZ-OE1 3.32Å; R678-E680 IonicContact CZ-OE2 2.71Å; R678-E680 IonicContact NH1-OE1 3.33Å; R678-E680 PolarHBondContact NH1-OE1 3.35Å; R678-E680 IonicContact NH1-OE2 3.6Å; R678-E680 PolarHBondContact NH1-OE2 3.28Å; R678-E680 VanDerWaalsContact NH2-CD 3.32Å; R678-E680 IonicContact NH2-OE1 3.54Å; R678-E680 PolarHBondContact NH2-OE1 3.5Å; R678-E680 IonicContact NH2-OE2 3.67Å; R678-T693 VanDerWaalsContact O-CA 3.31Å; R678-T693 WeakPolarHBondContact O-CA 3.14Å; R678-T693 WeakPolarHBondContact O-CB 3.49Å; R678-E694 HydrophobicContact CB-CG 4.33Å; R678-E694 WeakPolarHBondContact CB-OE1 3.27Å; R678-E694 PolarHBondContact N-OE1 2.79Å; R678-E694 PolarHBondContact O-N 3.5Å
679	L	95.2	Very high	91.4	Very high	22 Å²	22	40.3 Å²	40.3	12%	0.115	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.4	166.6	-175.9	71.1	0	0	0	109.9	A607 A665 M668 I691 L692 T693	A607-L679 HydrophobicContact CB-CD2 3.68Å; A665-L679 WeakPolarHBondContact O-CD2 3.31Å; M668-L679 HydrophobicContact CB-CB 4.06Å; M668-L679 HydrophobicContact CE-CD1 4.24Å; L679-I691 HydrophobicContact CD1-CG2 3.54Å; L679-L692 WeakPolarHBondContact CD1-O 3.21Å; L679-T693 HydrophobicContact CD1-CG2 4.43Å
680	E	94.4	Very high	91.5	Very high	30 Å²	30	39.2 Å²	39.2	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-37.6	170.4	-68.8	-77	-167.5	0	0	111.4	I610 L634 V644 R678 L692	I610-E680 HydrophobicContact CD1-CB 4.5Å; L634-E680 HydrophobicContact CD2-CB 4.04Å; L634-E680 HydrophobicContact CD2-CG 4.38Å; V644-E680 HydrophobicContact CG1-CG 3.94Å; R678-E680 IonicContact CZ-OE1 3.53Å; R678-E680 VanDerWaalsContact CZ-OE1 3.32Å; R678-E680 IonicContact CZ-OE2 2.71Å; R678-E680 IonicContact NH1-OE1 3.33Å; R678-E680 PolarHBondContact NH1-OE1 3.35Å; R678-E680 IonicContact NH1-OE2 3.6Å; R678-E680 PolarHBondContact NH1-OE2 3.28Å; R678-E680 VanDerWaalsContact NH2-CD 3.32Å; R678-E680 IonicContact NH2-OE1 3.54Å; R678-E680 PolarHBondContact NH2-OE1 3.5Å; R678-E680 IonicContact NH2-OE2 3.67Å; E680-L692 HydrophobicContact CB-CB 4.06Å; E680-L692 WeakPolarHBondContact CB-O 3.33Å; E680-L692 PolarHBondContact N-O 3.15Å
681	G	94.1	Very high	91.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-170.9	176.1	0	0	0	0	0	112.2	K608 L692	K608-G681 CarbonylContact O-C 3.25Å; K608-G681 WeakPolarHBondContact O-CA 3.22Å; G681-L692 PolarHBondContact N-O 2.97Å; G681-L692 PolarHBondContact O-N 3.13Å
682	V	95.1	Very high	91.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	156	-179.4	-65.8	0	0	0	0	110.2	V603 A607 K608 E609 I610 A665 T684 M690 I691	V603-V682 HydrophobicContact CG1-CB 4.49Å; V603-V682 HydrophobicContact CG1-CG1 4.45Å; V603-V682 HydrophobicContact CG1-CG2 3.64Å; A607-V682 HydrophobicContact CB-CG1 4.01Å; A607-V682 HydrophobicContact CB-CG2 4.05Å; K608-V682 PolarHBondContact O-N 3.43Å; E609-V682 CarbonylContact C-O 3.55Å; E609-V682 WeakPolarHBondContact CA-O 3.43Å; I610-V682 PolarHBondContact N-O 3.2Å; A665-V682 HydrophobicContact CB-CG1 3.56Å; V682-T684 HydrophobicContact CB-CG2 4.11Å; V682-T684 HydrophobicContact CG2-CG2 3.94Å; V682-M690 CarbonylContact C-O 3.58Å; V682-M690 VanDerWaalsContact CA-O 3.29Å; V682-M690 WeakPolarHBondContact CA-O 3.42Å; V682-I691 HydrophobicContact CG1-CG1 4.4Å
683	V	93.1	Very high	91.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	103.7	168.4	-174.5	0	0	0	0	106.4	I610 V612 V615 S686 V689 M690 L692	I610-V683 HydrophobicContact CB-CG2 4.21Å; I610-V683 HydrophobicContact CG2-CG2 4.47Å; V612-V683 HydrophobicContact CB-CG1 4.09Å; V612-V683 HydrophobicContact CG2-CG1 4.49Å; V615-V683 HydrophobicContact CG2-CG2 4.3Å; V683-S686 WeakPolarHBondContact CG1-OG 3.46Å; V683-V689 CarbonylContact O-C 3.56Å; V683-V689 VanDerWaalsContact O-CA 3.31Å; V683-V689 WeakPolarHBondContact O-CA 3.47Å; V683-V689 WeakPolarHBondContact O-CG1 3.41Å; V683-M690 HydrophobicContact CB-CB 4.02Å; V683-M690 HydrophobicContact CB-CE 4.46Å; V683-M690 HydrophobicContact CB-CG 4.25Å; V683-M690 HydrophobicContact CG1-CE 4.3Å; V683-M690 HydrophobicContact CG2-CB 4.23Å; V683-M690 PolarHBondContact N-O 3.4Å; V683-M690 PolarHBondContact O-N 3.4Å; V683-L692 HydrophobicContact CG2-CD1 3.78Å
684	T	90.9	Very high	91.7	Very high	30 Å²	30	31.8 Å²	31.8	18%	0.184	17%	0.169	C	C	.	.			trans	-112.9	-21.5	-177.3	64.3	0	0	0	0	112.9	V603 E609 L662 V682 S686 V689	V603-T684 HydrophobicContact CG1-CG2 4.15Å; E609-T684 VanDerWaalsContact CD-OG1 3.26Å; E609-T684 PolarHBondContact OE1-N 3.43Å; E609-T684 PolarHBondContact OE1-OG1 3.31Å; E609-T684 PolarHBondContact OE2-N 3.01Å; E609-T684 PolarHBondContact OE2-OG1 3.08Å; L662-T684 HydrophobicContact CD2-CG2 3.96Å; V682-T684 HydrophobicContact CB-CG2 4.11Å; V682-T684 HydrophobicContact CG2-CG2 3.94Å; T684-S686 VanDerWaalsContact C-N 3.27Å; T684-S686 PolarHBondContact O-N 3.06Å; T684-V689 HydrophobicContact CG2-CG1 4.22Å
685	N	85.1	Confident	91.7	Very high	140 Å²	140	29.5 Å²	29.5	75%	0.749	15%	0.15	S	C	*	.	S	Bend	trans	-83.3	4.7	178.7	-64.9	-47.3	0	0	0	114.4	E609	E609-N685 WeakPolarHBondContact CG-ND2 3.5Å; E609-N685 PolarHBondContact OE1-N 2.9Å; E609-N685 PolarHBondContact OE1-ND2 3.41Å
686	S	80	Confident	91.5	Very high	23 Å²	23	29.4 Å²	29.4	16%	0.161	15%	0.149	C	C	.	.	S	Bend	trans	-140.3	162.1	176.5	75.3	0	0	0	0	111.5	V683 T684 P688	V683-S686 WeakPolarHBondContact CG1-OG 3.46Å; T684-S686 VanDerWaalsContact C-N 3.27Å; T684-S686 PolarHBondContact O-N 3.06Å; S686-P688 CarbonylContact O-C 3.5Å
687	M	75.5	Confident	91.4	Very high	123 Å²	123	33.8 Å²	33.8	61%	0.606	17%	0.17	S	C	*	.	S	Bend	trans	-106.4	134.3	174.4	-73.3	-70.3	-77.6	0	0	110.9	Y653 V689	Y653-M687 HydrophobicContact CE1-CE 4.11Å; M687-V689 HydrophobicContact SD-CG2 4.08Å
688	P	82.4	Confident	91.3	Very high	37 Å²	37	36.1 Å²	36.1	24%	0.24	18%	0.183	C	C	.	.	S	Bend	cis	-72.8	155.2	-0.3	31.5	-35.3	0	0	0	112.5	T648 S686 M690	T648-P688 HydrophobicContact CG2-CG 4.25Å; S686-P688 CarbonylContact O-C 3.5Å; P688-M690 HydrophobicContact CG-CE 4.26Å; P688-M690 HydrophobicContact CG-CG 4.43Å; P688-M690 WeakPolarHBondContact O-CE 3.39Å; P688-M690 VanDerWaalsContact O-CG 3.27Å; P688-M690 WeakPolarHBondContact O-CG 3.42Å
689	V	88.9	Confident	91.2	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	18%	0.18	C	C	.	.			trans	-66.9	134.7	169	-174.7	0	0	0	0	108.2	L649 F661 L662 V683 T684 M687	L649-V689 HydrophobicContact CB-CB 4.1Å; L649-V689 HydrophobicContact CD2-CB 4.31Å; L649-V689 HydrophobicContact CD2-CG2 4.48Å; L649-V689 PolarHBondContact N-O 2.92Å; F661-V689 HydrophobicContact CD1-CG1 4.18Å; F661-V689 HydrophobicContact CE1-CB 4.25Å; F661-V689 HydrophobicContact CE1-CG1 3.82Å; L662-V689 HydrophobicContact CD2-CG1 3.93Å; V683-V689 CarbonylContact O-C 3.56Å; V683-V689 VanDerWaalsContact O-CA 3.31Å; V683-V689 WeakPolarHBondContact O-CA 3.47Å; V683-V689 WeakPolarHBondContact O-CG1 3.41Å; T684-V689 HydrophobicContact CG2-CG1 4.22Å; M687-V689 HydrophobicContact SD-CG2 4.08Å
690	M	92.4	Very high	91.1	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.5	-174	-45.8	-177.9	-137.5	0	0	112.6	V612 I617 I646 K647 T648 V682 V683 P688 L692	V612-M690 HydrophobicContact CG2-CE 3.79Å; I617-M690 HydrophobicContact CD1-SD 4.26Å; I646-M690 HydrophobicContact CG2-CB 3.98Å; I646-M690 HydrophobicContact CG2-CG 4.22Å; I646-M690 HydrophobicContact CG2-SD 3.87Å; K647-M690 CarbonylContact O-C 3.44Å; K647-M690 VanDerWaalsContact O-CA 3.29Å; K647-M690 WeakPolarHBondContact O-CA 3.5Å; T648-M690 HydrophobicContact CG2-CG 4.29Å; V682-M690 CarbonylContact C-O 3.58Å; V682-M690 VanDerWaalsContact CA-O 3.29Å; V682-M690 WeakPolarHBondContact CA-O 3.42Å; V683-M690 HydrophobicContact CB-CB 4.02Å; V683-M690 HydrophobicContact CB-CE 4.46Å; V683-M690 HydrophobicContact CB-CG 4.25Å; V683-M690 HydrophobicContact CG1-CE 4.3Å; V683-M690 HydrophobicContact CG2-CB 4.23Å; V683-M690 PolarHBondContact N-O 3.4Å; V683-M690 PolarHBondContact O-N 3.4Å; P688-M690 HydrophobicContact CG-CE 4.26Å; P688-M690 HydrophobicContact CG-CG 4.43Å; P688-M690 WeakPolarHBondContact O-CE 3.39Å; P688-M690 VanDerWaalsContact O-CG 3.27Å; P688-M690 WeakPolarHBondContact O-CG 3.42Å; M690-L692 HydrophobicContact CB-CD1 3.84Å
691	I	93.5	Very high	91.2	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.1	167.8	-59.2	169.9	0	0	0	107.2	I646 K647 F661 A665 M668 L679 V682 T693	I646-I691 WeakPolarHBondContact CA-O 3.31Å; K647-I691 HydrophobicContact CB-CB 4.26Å; K647-I691 PolarHBondContact N-O 3.39Å; K647-I691 PolarHBondContact O-N 3.36Å; F661-I691 HydrophobicContact CD1-CD1 3.83Å; F661-I691 HydrophobicContact CD1-CG1 4.17Å; F661-I691 HydrophobicContact CD2-CD1 3.92Å; F661-I691 HydrophobicContact CE1-CD1 3.63Å; F661-I691 HydrophobicContact CE1-CG1 3.54Å; F661-I691 HydrophobicContact CE2-CD1 3.76Å; F661-I691 HydrophobicContact CE2-CG1 4.24Å; F661-I691 HydrophobicContact CG-CD1 3.98Å; F661-I691 HydrophobicContact CZ-CB 4.31Å; F661-I691 HydrophobicContact CZ-CD1 3.61Å; F661-I691 HydrophobicContact CZ-CG1 3.6Å; F661-I691 WeakPolarHBondContact O-CD1 3.44Å; A665-I691 HydrophobicContact CB-CD1 3.91Å; A665-I691 HydrophobicContact CB-CG1 3.95Å; A665-I691 HydrophobicContact CB-CG2 4.22Å; M668-I691 HydrophobicContact CE-CG2 3.63Å; L679-I691 HydrophobicContact CD1-CG2 3.54Å; V682-I691 HydrophobicContact CG1-CG1 4.4Å; I691-T693 HydrophobicContact CG2-CG2 4.38Å
692	L	95.1	Very high	91.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.7	-178.4	-70	78.8	0	0	0	108.9	I610 V615 L634 V644 A645 I646 L679 E680 G681 V683 M690	I610-L692 HydrophobicContact CD1-CD2 4.1Å; V615-L692 HydrophobicContact CB-CD2 4.42Å; V615-L692 HydrophobicContact CG1-CD2 3.91Å; V615-L692 HydrophobicContact CG2-CD2 3.6Å; L634-L692 HydrophobicContact CD1-CD2 4.24Å; V644-L692 HydrophobicContact CG2-CD2 4.29Å; A645-L692 WeakPolarHBondContact O-CA 3.32Å; I646-L692 HydrophobicContact CG1-CG 4.28Å; L679-L692 WeakPolarHBondContact CD1-O 3.21Å; E680-L692 HydrophobicContact CB-CB 4.06Å; E680-L692 WeakPolarHBondContact CB-O 3.33Å; E680-L692 PolarHBondContact N-O 3.15Å; G681-L692 PolarHBondContact N-O 2.97Å; G681-L692 PolarHBondContact O-N 3.13Å; V683-L692 HydrophobicContact CG2-CD1 3.78Å; M690-L692 HydrophobicContact CB-CD1 3.84Å
693	T	95.3	Very high	91	Very high	20 Å²	20	36 Å²	36	12%	0.123	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	165.4	172.7	58	0	0	0	0	110.2	V644 A645 M668 I677 R678 L679 I691	V644-T693 CarbonylContact C-O 3.59Å; V644-T693 WeakPolarHBondContact CA-O 3.34Å; V644-T693 WeakPolarHBondContact CB-O 3.17Å; A645-T693 PolarHBondContact N-O 2.99Å; A645-T693 PolarHBondContact O-N 3.17Å; M668-T693 HydrophobicContact CE-CG2 4.2Å; M668-T693 HydrophobicContact SD-CG2 4.01Å; I677-T693 HydrophobicContact CG1-CG2 4.44Å; R678-T693 VanDerWaalsContact O-CA 3.31Å; R678-T693 WeakPolarHBondContact O-CA 3.14Å; R678-T693 WeakPolarHBondContact O-CB 3.49Å; L679-T693 HydrophobicContact CD1-CG2 4.43Å; I691-T693 HydrophobicContact CG2-CG2 4.38Å
694	E	94.4	Very high	91.1	Very high	28 Å²	28	36.7 Å²	36.7	13%	0.131	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	140.8	169.6	66.7	-174.9	133.2	0	0	111.3	I677 R678 M696 K755	I677-E694 HydrophobicContact CD1-CG 3.46Å; I677-E694 VanDerWaalsContact CD1-CG 3.46Å; I677-E694 HydrophobicContact CG1-CG 4.35Å; R678-E694 HydrophobicContact CB-CG 4.33Å; R678-E694 WeakPolarHBondContact CB-OE1 3.27Å; R678-E694 PolarHBondContact N-OE1 2.79Å; R678-E694 PolarHBondContact O-N 3.5Å; E694-M696 HydrophobicContact CG-SD 4.24Å; E694-K755 VanDerWaalsContact OE1-CD 3.26Å; E694-K755 WeakPolarHBondContact OE1-CD 3.27Å; E694-K755 WeakPolarHBondContact OE1-CE 3.42Å; E694-K755 IonicContact OE1-NZ 2.72Å; E694-K755 PolarHBondContact OE1-NZ 3.47Å; E694-K755 WeakPolarHBondContact OE2-CE 3.35Å; E694-K755 IonicContact OE2-NZ 3.41Å; E694-K755 PolarHBondContact OE2-NZ 3.46Å
695	F	95.2	Very high	91.1	Very high	38 Å²	38	35.2 Å²	35.2	17%	0.167	20%	0.199	C	C	.	.			trans	-79.3	133.6	178.6	-176.3	-112.3	0	0	0	111.5	I621 R631 C643 A645 E697	I621-F695 HydrophobicContact CD1-CD2 4.26Å; I621-F695 HydrophobicContact CD1-CE2 3.72Å; R631-F695 HydrophobicContact CB-CD2 4.39Å; R631-F695 HydrophobicContact CB-CE2 4Å; R631-F695 HydrophobicContact CB-CZ 4.49Å; R631-F695 VanDerWaalsContact CD-CZ 3.49Å; R631-F695 HydrophobicContact CG-CD2 4.08Å; R631-F695 HydrophobicContact CG-CE1 4.4Å; R631-F695 HydrophobicContact CG-CE2 3.85Å; R631-F695 HydrophobicContact CG-CG 4.49Å; R631-F695 HydrophobicContact CG-CZ 4.03Å; C643-F695 HydrophobicContact CB-CB 4.03Å; C643-F695 HydrophobicContact CB-CD1 4.33Å; C643-F695 HydrophobicContact CB-CG 4.48Å; C643-F695 WeakPolarHBondContact O-CB 3.06Å; C643-F695 PolarHBondContact O-N 3.31Å; C643-F695 VanDerWaalsContact SG-CD1 3.53Å; A645-F695 HydrophobicContact CB-CD2 4.26Å; F695-E697 HydrophobicContact CD1-CG 3.92Å; F695-E697 HydrophobicContact CE1-CB 4.15Å; F695-E697 HydrophobicContact CE1-CG 3.79Å
696	M	95	Very high	91.3	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.054	19%	0.185	C	C	.	.			trans	-114.6	101.4	-178.5	-60.6	-65.6	-71.6	0	0	109	I677 E694 N698 G699 L747 V748 N749 K755	I677-M696 HydrophobicContact CD1-CG 3.61Å; I677-M696 HydrophobicContact CD1-SD 4.03Å; E694-M696 HydrophobicContact CG-SD 4.24Å; M696-N698 VanDerWaalsContact C-N 3.25Å; M696-N698 PolarHBondContact O-N 2.83Å; M696-N698 VanDerWaalsContact O-N 3.17Å; M696-G699 PolarHBondContact O-N 3.22Å; M696-G699 VanDerWaalsContact O-N 3.1Å; M696-L747 HydrophobicContact CB-CB 3.78Å; M696-L747 HydrophobicContact CB-CD1 4.36Å; M696-L747 VanDerWaalsContact CE-C 3.49Å; M696-L747 HydrophobicContact CE-CB 3.92Å; M696-L747 VanDerWaalsContact CE-O 3.28Å; M696-L747 WeakPolarHBondContact CE-O 3.23Å; M696-L747 HydrophobicContact CG-CB 3.64Å; M696-L747 HydrophobicContact CG-CD1 3.96Å; M696-L747 HydrophobicContact CG-CG 4.42Å; M696-V748 CarbonylContact C-O 3.57Å; M696-N749 HydrophobicContact CE-CB 3.86Å; M696-N749 HydrophobicContact SD-CB 4.02Å; M696-K755 HydrophobicContact CE-CB 3.91Å; M696-K755 HydrophobicContact CE-CD 3.82Å; M696-K755 HydrophobicContact CE-CG 3.61Å; M696-K755 HydrophobicContact SD-CD 3.89Å; M696-K755 HydrophobicContact SD-CG 4.36Å
697	E	93.1	Very high	91.7	Very high	94 Å²	94	40.2 Å²	40.2	44%	0.439	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.4	-162.7	-56.7	93.3	144.2	0	0	114.4	F695 N749 S750	F695-E697 HydrophobicContact CD1-CG 3.92Å; F695-E697 HydrophobicContact CE1-CB 4.15Å; F695-E697 HydrophobicContact CE1-CG 3.79Å; E697-N749 VanDerWaalsContact OE2-CA 3.25Å; E697-N749 WeakPolarHBondContact OE2-CA 3.02Å; E697-N749 VanDerWaalsContact OE2-CB 3.3Å; E697-N749 WeakPolarHBondContact OE2-CB 3.34Å; E697-S750 PolarHBondContact OE1-OG 3.2Å; E697-S750 PolarHBondContact OE2-N 3.33Å; E697-S750 PolarHBondContact OE2-OG 2.88Å
698	N	93.3	Very high	92.3	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.294	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	3.2	-177.8	-71.2	-41.6	0	0	0	112.9	M696 F704 V748 N749	M696-N698 VanDerWaalsContact C-N 3.25Å; M696-N698 PolarHBondContact O-N 2.83Å; M696-N698 VanDerWaalsContact O-N 3.17Å; N698-F704 HydrophobicContact CB-CD2 3.57Å; N698-F704 HydrophobicContact CB-CE2 3.67Å; N698-F704 HydrophobicContact CB-CG 4.18Å; N698-F704 HydrophobicContact CB-CZ 4.36Å; N698-F704 VanDerWaalsContact CG-CE2 3.47Å; N698-V748 WeakPolarHBondContact CA-O 3.44Å; N698-V748 HydrophobicContact CB-CB 3.93Å; N698-V748 HydrophobicContact CB-CG1 4.15Å; N698-V748 WeakPolarHBondContact CB-O 3.4Å; N698-V748 PolarHBondContact N-O 3.03Å; N698-N749 PolarHBondContact ND2-O 3.43Å
699	G	92.7	Very high	92.3	Very high	29 Å²	29	39.2 Å²	39.2	30%	0.299	21%	0.21	S	C	.	.			trans	64.7	-149.4	177.2	0	0	0	0	0	113.7	M696 L747 V748	M696-G699 PolarHBondContact O-N 3.22Å; M696-G699 VanDerWaalsContact O-N 3.1Å; G699-L747 CarbonylContact O-C 3.59Å; G699-L747 WeakPolarHBondContact O-CA 3.07Å; G699-V748 PolarHBondContact O-N 3.21Å
700	A	94	Very high	91.8	Very high	27 Å²	27	41.5 Å²	41.5	22%	0.223	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-72.5	138.6	-179	0	0	0	0	0	112.5	D702 S703 F704 I746	A700-D702 VanDerWaalsContact C-N 3.33Å; A700-D702 WeakPolarHBondContact CB-OD1 3.38Å; A700-D702 PolarHBondContact O-N 3.1Å; A700-S703 PolarHBondContact O-N 2.91Å; A700-F704 WeakPolarHBondContact O-CB 3.41Å; A700-F704 PolarHBondContact O-N 3.42Å; A700-I746 CarbonylContact C-O 3.56Å; A700-I746 WeakPolarHBondContact CA-O 3.26Å
701	L	96.9	Very high	91.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.2	-37.6	-171.8	175.7	63.2	0	0	0	112.5	F704 L705 M720 I724 A743 I746 V748 V813	L701-F704 HydrophobicContact CD1-CD1 4.37Å; L701-F704 PolarHBondContact O-N 3.5Å; L701-L705 HydrophobicContact CD1-CD1 3.82Å; L701-L705 HydrophobicContact CD1-CD2 4.3Å; L701-L705 HydrophobicContact CD1-CG 3.79Å; L701-L705 HydrophobicContact CD2-CD1 4.5Å; L701-L705 HydrophobicContact CG-CD1 3.74Å; L701-L705 HydrophobicContact CG-CG 4.2Å; L701-L705 WeakPolarHBondContact O-CB 3.47Å; L701-L705 WeakPolarHBondContact O-CD1 3.19Å; L701-L705 WeakPolarHBondContact O-CG 3.38Å; L701-L705 PolarHBondContact O-N 2.82Å; L701-M720 HydrophobicContact CD1-SD 4.05Å; L701-I724 HydrophobicContact CD2-CD1 3.71Å; L701-A743 WeakPolarHBondContact CB-O 3.43Å; L701-I746 HydrophobicContact CB-CB 3.87Å; L701-I746 HydrophobicContact CB-CG2 4.07Å; L701-I746 WeakPolarHBondContact CB-O 3.25Å; L701-I746 HydrophobicContact CD2-CB 3.94Å; L701-I746 HydrophobicContact CD2-CG1 4.38Å; L701-I746 HydrophobicContact CD2-CG2 3.8Å; L701-I746 PolarHBondContact N-O 2.76Å; L701-V748 HydrophobicContact CB-CG2 3.75Å; L701-V748 HydrophobicContact CD1-CG2 3.59Å; L701-V748 HydrophobicContact CG-CG2 4.24Å; L701-V813 HydrophobicContact CD2-CG2 3.84Å
702	D	93.1	Very high	91.2	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-46.9	-179.3	74.6	-40.2	0	0	0	112.1	A700 L705 R706 A743	A700-D702 VanDerWaalsContact C-N 3.33Å; A700-D702 WeakPolarHBondContact CB-OD1 3.38Å; A700-D702 PolarHBondContact O-N 3.1Å; D702-L705 PolarHBondContact O-N 3.08Å; D702-R706 VanDerWaalsContact CG-NH2 3.34Å; D702-R706 WeakPolarHBondContact O-CG 3.25Å; D702-R706 PolarHBondContact O-N 3.36Å; D702-R706 VanDerWaalsContact O-N 3.11Å; D702-R706 IonicContact OD1-NH2 3.38Å; D702-R706 IonicContact OD2-CZ 3.87Å; D702-R706 IonicContact OD2-NH1 3.38Å; D702-R706 PolarHBondContact OD2-NH1 2.99Å; D702-R706 IonicContact OD2-NH2 3.58Å; D702-R706 PolarHBondContact OD2-NH2 2.03Å; D702-A743 HydrophobicContact CB-CB 3.84Å
703	S	90.8	Very high	91.1	Very high	62 Å²	62	53 Å²	53	43%	0.434	29%	0.292	S	S	.	.	H	α-helix	trans	-71.1	-38.6	178.6	-60.7	0	0	0	0	110.9	A700 R706 L707	A700-S703 PolarHBondContact O-N 2.91Å; S703-R706 PolarHBondContact O-N 2.84Å; S703-R706 PolarHBondContact OG-NH2 2.91Å; S703-L707 WeakPolarHBondContact O-CB 3.02Å; S703-L707 PolarHBondContact O-N 3.48Å
704	F	94.5	Very high	90.8	Very high	17 Å²	17	54 Å²	54	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-44.2	173.8	178.5	-109.9	0	0	0	112.3	N698 A700 L701 L707 N708 F712 M720 V748 L752	N698-F704 HydrophobicContact CB-CD2 3.57Å; N698-F704 HydrophobicContact CB-CE2 3.67Å; N698-F704 HydrophobicContact CB-CG 4.18Å; N698-F704 HydrophobicContact CB-CZ 4.36Å; N698-F704 VanDerWaalsContact CG-CE2 3.47Å; A700-F704 WeakPolarHBondContact O-CB 3.41Å; A700-F704 PolarHBondContact O-N 3.42Å; L701-F704 HydrophobicContact CD1-CD1 4.37Å; L701-F704 PolarHBondContact O-N 3.5Å; F704-L707 PolarHBondContact O-N 3.04Å; F704-N708 WeakPolarHBondContact CE2-ND2 3.45Å; F704-N708 WeakPolarHBondContact O-CB 3.37Å; F704-N708 PolarHBondContact O-N 2.82Å; F704-N708 PolarHBondContact O-ND2 3.46Å; F704-F712 HydrophobicContact CD1-CE2 4.39Å; F704-F712 HydrophobicContact CD1-CZ 4.38Å; F704-F712 HydrophobicContact CE1-CE1 4.33Å; F704-F712 AromaticContact CE1-CE2 3.79Å; F704-F712 HydrophobicContact CE1-CE2 3.79Å; F704-F712 AromaticContact CE1-CZ 3.41Å; F704-F712 HydrophobicContact CE1-CZ 3.41Å; F704-F712 VanDerWaalsContact CE1-CZ 3.41Å; F704-F712 HydrophobicContact CE2-CZ 4.45Å; F704-F712 HydrophobicContact CZ-CE1 4.27Å; F704-F712 HydrophobicContact CZ-CE2 4.24Å; F704-F712 AromaticContact CZ-CZ 3.47Å; F704-F712 HydrophobicContact CZ-CZ 3.47Å; F704-F712 VanDerWaalsContact CZ-CZ 3.47Å; F704-M720 HydrophobicContact CE1-CE 3.92Å; F704-V748 HydrophobicContact CD1-CB 4.43Å; F704-V748 HydrophobicContact CD1-CG1 4.21Å; F704-V748 HydrophobicContact CD1-CG2 4.24Å; F704-V748 HydrophobicContact CE1-CG1 4.09Å; F704-L752 HydrophobicContact CE1-CD2 3.82Å; F704-L752 HydrophobicContact CZ-CD2 3.51Å
705	L	92.7	Very high	90.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-45.6	177.6	-73.9	165.7	0	0	0	112	L701 D702 L707 N708 D709 F712 L717 V813 F816	L701-L705 HydrophobicContact CD1-CD1 3.82Å; L701-L705 HydrophobicContact CD1-CD2 4.3Å; L701-L705 HydrophobicContact CD1-CG 3.79Å; L701-L705 HydrophobicContact CD2-CD1 4.5Å; L701-L705 HydrophobicContact CG-CD1 3.74Å; L701-L705 HydrophobicContact CG-CG 4.2Å; L701-L705 WeakPolarHBondContact O-CB 3.47Å; L701-L705 WeakPolarHBondContact O-CD1 3.19Å; L701-L705 WeakPolarHBondContact O-CG 3.38Å; L701-L705 PolarHBondContact O-N 2.82Å; D702-L705 PolarHBondContact O-N 3.08Å; L705-L707 VanDerWaalsContact C-N 3.3Å; L705-L707 PolarHBondContact O-N 2.66Å; L705-N708 CarbonylContact O-C 3.42Å; L705-N708 VanDerWaalsContact O-C 3.24Å; L705-N708 PolarHBondContact O-N 2.73Å; L705-D709 PolarHBondContact O-N 3.13Å; L705-D709 VanDerWaalsContact O-N 3.09Å; L705-F712 HydrophobicContact CD2-CD2 4.24Å; L705-F712 HydrophobicContact CD2-CE2 4.35Å; L705-L717 HydrophobicContact CD2-CD2 3.85Å; L705-V813 HydrophobicContact CD1-CB 4.3Å; L705-V813 HydrophobicContact CD1-CG2 4.06Å; L705-F816 CarbonylContact C-O 3.45Å; L705-F816 HydrophobicContact CD2-CD1 4.27Å
706	R	89.3	Confident	90.6	Very high	117 Å²	117	57.7 Å²	57.7	44%	0.442	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-38.7	178.2	-74.7	-173.8	-65.6	-94.3	0.2	112.6	D702 S703 N708 F816 G817	D702-R706 VanDerWaalsContact CG-NH2 3.34Å; D702-R706 WeakPolarHBondContact O-CG 3.25Å; D702-R706 PolarHBondContact O-N 3.36Å; D702-R706 VanDerWaalsContact O-N 3.11Å; D702-R706 IonicContact OD1-NH2 3.38Å; D702-R706 IonicContact OD2-CZ 3.87Å; D702-R706 IonicContact OD2-NH1 3.38Å; D702-R706 PolarHBondContact OD2-NH1 2.99Å; D702-R706 IonicContact OD2-NH2 3.58Å; D702-R706 PolarHBondContact OD2-NH2 2.03Å; S703-R706 PolarHBondContact O-N 2.84Å; S703-R706 PolarHBondContact OG-NH2 2.91Å; R706-N708 PolarHBondContact O-N 2.98Å; R706-F816 WeakPolarHBondContact CA-O 3.21Å; R706-F816 WeakPolarHBondContact CG-O 3.41Å; R706-F816 PolarHBondContact N-O 3.13Å; R706-G817 WeakPolarHBondContact CD-O 3.49Å; R706-G817 PolarHBondContact NH1-O 3.06Å
707	L	88.2	Confident	90.6	Very high	150 Å²	150	57.3 Å²	57.3	79%	0.785	32%	0.316	S	S	*	.	H	α-helix	trans	-69.4	-23.1	177.8	-169.6	65.5	0	0	0	112.5	S703 F704 L705	S703-L707 WeakPolarHBondContact O-CB 3.02Å; S703-L707 PolarHBondContact O-N 3.48Å; F704-L707 PolarHBondContact O-N 3.04Å; L705-L707 VanDerWaalsContact C-N 3.3Å; L705-L707 PolarHBondContact O-N 2.66Å
708	N	86.9	Confident	90.8	Very high	44 Å²	44	52.8 Å²	52.8	24%	0.235	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	32.2	-176	-66.3	-82.7	0	0	0	111.9	F704 L705 R706 G710 Q711 F712 F816	F704-N708 WeakPolarHBondContact CE2-ND2 3.45Å; F704-N708 WeakPolarHBondContact O-CB 3.37Å; F704-N708 PolarHBondContact O-N 2.82Å; F704-N708 PolarHBondContact O-ND2 3.46Å; L705-N708 CarbonylContact O-C 3.42Å; L705-N708 VanDerWaalsContact O-C 3.24Å; L705-N708 PolarHBondContact O-N 2.73Å; R706-N708 PolarHBondContact O-N 2.98Å; N708-G710 PolarHBondContact O-N 3.28Å; N708-Q711 HydrophobicContact CB-CB 4.23Å; N708-Q711 HydrophobicContact CB-CG 4.34Å; N708-Q711 VanDerWaalsContact O-CB 3.31Å; N708-Q711 WeakPolarHBondContact O-CB 3.41Å; N708-Q711 WeakPolarHBondContact O-CG 3.41Å; N708-Q711 PolarHBondContact O-N 3.02Å; N708-F712 HydrophobicContact CB-CD2 4.37Å; N708-F712 HydrophobicContact CB-CE2 3.44Å; N708-F712 VanDerWaalsContact CB-CE2 3.44Å; N708-F712 HydrophobicContact CB-CZ 3.66Å; N708-F816 WeakPolarHBondContact O-CE1 3.43Å
709	D	83.7	Confident	90.9	Very high	95 Å²	95	51.9 Å²	51.9	51%	0.508	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	124.8	-177.8	-177.9	27.3	0	0	0	111.8	L705 Q711 F816	L705-D709 PolarHBondContact O-N 3.13Å; L705-D709 VanDerWaalsContact O-N 3.09Å; D709-Q711 PolarHBondContact O-N 3.32Å; D709-F816 HydrophobicContact CB-CB 4.36Å; D709-F816 HydrophobicContact CB-CD1 4.49Å; D709-F816 WeakPolarHBondContact OD1-CB 3.2Å; D709-F816 WeakPolarHBondContact OD1-CG 3.43Å
710	G	77.1	Confident	91.2	Very high	52 Å²	52	50.6 Å²	50.6	54%	0.536	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	3.6	-178.4	0	0	0	0	0	116.3	N708	N708-G710 PolarHBondContact O-N 3.28Å
711	Q	84.9	Confident	91.4	Very high	146 Å²	146	49.3 Å²	49.3	68%	0.682	27%	0.274	S	S	*	.			trans	-84.9	-14.9	-178.1	-60.9	-65.1	-25.2	0	0	113.9	N708 D709	N708-Q711 HydrophobicContact CB-CB 4.23Å; N708-Q711 HydrophobicContact CB-CG 4.34Å; N708-Q711 VanDerWaalsContact O-CB 3.31Å; N708-Q711 WeakPolarHBondContact O-CB 3.41Å; N708-Q711 WeakPolarHBondContact O-CG 3.41Å; N708-Q711 PolarHBondContact O-N 3.02Å; D709-Q711 PolarHBondContact O-N 3.32Å
712	F	89.6	Confident	91.4	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.127	29%	0.288	C	S	.	.	S	Bend	trans	-102.4	138.3	-178	-58.6	-59.6	0	0	0	111.9	F704 L705 N708 Q716 L717 M720 L752 F816	F704-F712 HydrophobicContact CD1-CE2 4.39Å; F704-F712 HydrophobicContact CD1-CZ 4.38Å; F704-F712 HydrophobicContact CE1-CE1 4.33Å; F704-F712 AromaticContact CE1-CE2 3.79Å; F704-F712 HydrophobicContact CE1-CE2 3.79Å; F704-F712 AromaticContact CE1-CZ 3.41Å; F704-F712 HydrophobicContact CE1-CZ 3.41Å; F704-F712 VanDerWaalsContact CE1-CZ 3.41Å; F704-F712 HydrophobicContact CE2-CZ 4.45Å; F704-F712 HydrophobicContact CZ-CE1 4.27Å; F704-F712 HydrophobicContact CZ-CE2 4.24Å; F704-F712 AromaticContact CZ-CZ 3.47Å; F704-F712 HydrophobicContact CZ-CZ 3.47Å; F704-F712 VanDerWaalsContact CZ-CZ 3.47Å; L705-F712 HydrophobicContact CD2-CD2 4.24Å; L705-F712 HydrophobicContact CD2-CE2 4.35Å; N708-F712 HydrophobicContact CB-CD2 4.37Å; N708-F712 HydrophobicContact CB-CE2 3.44Å; N708-F712 VanDerWaalsContact CB-CE2 3.44Å; N708-F712 HydrophobicContact CB-CZ 3.66Å; F712-Q716 HydrophobicContact CB-CB 4.42Å; F712-L717 HydrophobicContact CB-CD2 3.76Å; F712-L717 HydrophobicContact CB-CG 4Å; F712-L717 HydrophobicContact CD2-CD2 4.05Å; F712-L717 HydrophobicContact CG-CD2 4.23Å; F712-M720 HydrophobicContact CD1-CE 4.41Å; F712-M720 HydrophobicContact CD2-CE 4.49Å; F712-M720 HydrophobicContact CE1-CE 4.33Å; F712-M720 HydrophobicContact CE2-CE 4.4Å; F712-M720 HydrophobicContact CZ-CE 4.35Å; F712-L752 HydrophobicContact CE1-CD1 4.21Å; F712-L752 HydrophobicContact CE1-CD2 4.23Å; F712-F816 HydrophobicContact CB-CE1 4.31Å; F712-F816 HydrophobicContact CB-CZ 4.39Å; F712-F816 AromaticContact CD2-CE1 3.79Å; F712-F816 HydrophobicContact CD2-CE1 3.79Å
713	T	91.5	Very high	91.6	Very high	74 Å²	74	52.3 Å²	52.3	45%	0.454	29%	0.286	S	S	.	.			trans	-68.5	150.8	167.2	62.1	0	0	0	0	110.3	I715 Q716 L717	T713-I715 PolarHBondContact O-N 2.87Å; T713-I715 VanDerWaalsContact O-N 3.13Å; T713-I715 VanDerWaalsContact OG1-CG2 3.25Å; T713-I715 WeakPolarHBondContact OG1-CG2 3.41Å; T713-Q716 WeakPolarHBondContact O-CB 3.4Å; T713-Q716 PolarHBondContact O-N 3.31Å; T713-Q716 VanDerWaalsContact OG1-CG 3.31Å; T713-Q716 WeakPolarHBondContact OG1-CG 3.41Å; T713-Q716 PolarHBondContact OG1-N 3.42Å; T713-Q716 PolarHBondContact OG1-OE1 3.19Å; T713-L717 PolarHBondContact O-N 3.32Å; T713-L717 VanDerWaalsContact O-N 3.15Å
714	V	90.4	Very high	92	Very high	43 Å²	43	49.4 Å²	49.4	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-53.3	-37.4	176.5	177.2	0	0	0	0	111.9	Q716 L717 V718 M814 P846 L884	V714-Q716 VanDerWaalsContact C-N 3.35Å; V714-Q716 PolarHBondContact O-N 3.02Å; V714-L717 PolarHBondContact O-N 3.09Å; V714-V718 HydrophobicContact CG1-CG2 4.28Å; V714-V718 VanDerWaalsContact O-CG2 3.26Å; V714-V718 WeakPolarHBondContact O-CG2 3.3Å; V714-V718 PolarHBondContact O-N 2.86Å; V714-M814 HydrophobicContact CG1-CE 4.41Å; V714-P846 HydrophobicContact CG1-CG 3.51Å; V714-L884 HydrophobicContact CG1-CB 4.17Å; V714-L884 HydrophobicContact CG1-CD1 4.4Å; V714-L884 HydrophobicContact CG1-CD2 4.22Å
715	I	92.1	Very high	92.2	Very high	66 Å²	66	48.6 Å²	48.6	34%	0.338	26%	0.261	S	S	.	.	H	α-helix	trans	-66.5	-34.4	178.7	-169.9	66.9	0	0	0	112.6	T713 V718 G719 I878 L884	T713-I715 PolarHBondContact O-N 2.87Å; T713-I715 VanDerWaalsContact O-N 3.13Å; T713-I715 VanDerWaalsContact OG1-CG2 3.25Å; T713-I715 WeakPolarHBondContact OG1-CG2 3.41Å; I715-V718 PolarHBondContact O-N 3.4Å; I715-G719 PolarHBondContact O-N 3.38Å; I715-I878 HydrophobicContact CD1-CB 4.23Å; I715-I878 HydrophobicContact CD1-CG1 4.04Å; I715-I878 HydrophobicContact CD1-CG2 4.25Å; I715-L884 HydrophobicContact CB-CD1 4.41Å; I715-L884 HydrophobicContact CD1-CD1 3.66Å
716	Q	93.6	Very high	92.5	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.36	26%	0.263	S	S	.	.	H	α-helix	trans	-67.6	-42.8	174	-73.5	165.9	-57.7	0	0	111	F712 T713 V714 V718 G719 M720	F712-Q716 HydrophobicContact CB-CB 4.42Å; T713-Q716 WeakPolarHBondContact O-CB 3.4Å; T713-Q716 PolarHBondContact O-N 3.31Å; T713-Q716 VanDerWaalsContact OG1-CG 3.31Å; T713-Q716 WeakPolarHBondContact OG1-CG 3.41Å; T713-Q716 PolarHBondContact OG1-N 3.42Å; T713-Q716 PolarHBondContact OG1-OE1 3.19Å; V714-Q716 VanDerWaalsContact C-N 3.35Å; V714-Q716 PolarHBondContact O-N 3.02Å; Q716-V718 PolarHBondContact O-N 3.08Å; Q716-G719 WeakPolarHBondContact O-CA 3.4Å; Q716-G719 PolarHBondContact O-N 3.49Å; Q716-G719 VanDerWaalsContact O-N 3.09Å; Q716-M720 PolarHBondContact O-N 2.9Å
717	L	95.3	Very high	92.9	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-43.6	174.8	-62.3	178.8	0	0	0	111.5	L705 F712 T713 V714 G719 M720 L721 V813 M814 F816	L705-L717 HydrophobicContact CD2-CD2 3.85Å; F712-L717 HydrophobicContact CB-CD2 3.76Å; F712-L717 HydrophobicContact CB-CG 4Å; F712-L717 HydrophobicContact CD2-CD2 4.05Å; F712-L717 HydrophobicContact CG-CD2 4.23Å; T713-L717 PolarHBondContact O-N 3.32Å; T713-L717 VanDerWaalsContact O-N 3.15Å; V714-L717 PolarHBondContact O-N 3.09Å; L717-G719 VanDerWaalsContact C-N 3.27Å; L717-G719 PolarHBondContact O-N 3.24Å; L717-M720 HydrophobicContact CD2-SD 4.3Å; L717-M720 WeakPolarHBondContact O-CB 3.44Å; L717-M720 PolarHBondContact O-N 2.91Å; L717-L721 WeakPolarHBondContact O-CG 3.36Å; L717-L721 PolarHBondContact O-N 3.44Å; L717-V813 HydrophobicContact CB-CG1 3.97Å; L717-V813 HydrophobicContact CD2-CG1 3.91Å; L717-V813 HydrophobicContact CG-CG1 4.43Å; L717-M814 HydrophobicContact CB-SD 4.12Å; L717-M814 HydrophobicContact CD1-CE 4.38Å; L717-M814 HydrophobicContact CD1-SD 3.97Å; L717-F816 HydrophobicContact CD1-CE2 3.97Å; L717-F816 HydrophobicContact CD1-CZ 3.91Å; L717-F816 HydrophobicContact CD2-CZ 4.47Å
718	V	95.6	Very high	93.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-35.1	173.7	175.1	0	0	0	0	111.3	V714 I715 Q716 L721 R722 L849 L874 I878 L884	V714-V718 HydrophobicContact CG1-CG2 4.28Å; V714-V718 VanDerWaalsContact O-CG2 3.26Å; V714-V718 WeakPolarHBondContact O-CG2 3.3Å; V714-V718 PolarHBondContact O-N 2.86Å; I715-V718 PolarHBondContact O-N 3.4Å; Q716-V718 PolarHBondContact O-N 3.08Å; V718-L721 PolarHBondContact O-N 3.09Å; V718-R722 VanDerWaalsContact O-CB 3.28Å; V718-R722 WeakPolarHBondContact O-CB 3.45Å; V718-R722 PolarHBondContact O-N 3.38Å; V718-L849 HydrophobicContact CG2-CD2 4.27Å; V718-L874 HydrophobicContact CG1-CD2 4.17Å; V718-I878 HydrophobicContact CG1-CD1 4.08Å; V718-I878 HydrophobicContact CG1-CG1 3.61Å; V718-L884 HydrophobicContact CG2-CD1 4.2Å; V718-L884 HydrophobicContact CG2-CD2 3.94Å
719	G	96.2	Very high	93.8	Very high	35 Å²	35	37.6 Å²	37.6	36%	0.361	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-45.3	172.4	0	0	0	0	0	113	I715 Q716 L717 R722 G723	I715-G719 PolarHBondContact O-N 3.38Å; Q716-G719 WeakPolarHBondContact O-CA 3.4Å; Q716-G719 PolarHBondContact O-N 3.49Å; Q716-G719 VanDerWaalsContact O-N 3.09Å; L717-G719 VanDerWaalsContact C-N 3.27Å; L717-G719 PolarHBondContact O-N 3.24Å; G719-R722 PolarHBondContact O-N 3.34Å; G719-G723 PolarHBondContact O-N 3.03Å
720	M	98.1	Very high	94.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-49.7	173.8	-68.8	176.1	-177.9	0	0	111	L701 F704 F712 Q716 L717 R722 G723 I724 L752 C754	L701-M720 HydrophobicContact CD1-SD 4.05Å; F704-M720 HydrophobicContact CE1-CE 3.92Å; F712-M720 HydrophobicContact CD1-CE 4.41Å; F712-M720 HydrophobicContact CD2-CE 4.49Å; F712-M720 HydrophobicContact CE1-CE 4.33Å; F712-M720 HydrophobicContact CE2-CE 4.4Å; F712-M720 HydrophobicContact CZ-CE 4.35Å; Q716-M720 PolarHBondContact O-N 2.9Å; L717-M720 HydrophobicContact CD2-SD 4.3Å; L717-M720 WeakPolarHBondContact O-CB 3.44Å; L717-M720 PolarHBondContact O-N 2.91Å; M720-R722 PolarHBondContact O-N 2.89Å; M720-G723 PolarHBondContact O-N 2.97Å; M720-G723 VanDerWaalsContact O-N 3.14Å; M720-I724 WeakPolarHBondContact O-CG1 3.39Å; M720-I724 PolarHBondContact O-N 3.12Å; M720-I724 VanDerWaalsContact O-N 3.08Å; M720-L752 HydrophobicContact CE-CB 3.97Å; M720-L752 HydrophobicContact CE-CD1 4.16Å; M720-L752 HydrophobicContact CE-CD2 3.96Å; M720-L752 HydrophobicContact CE-CG 4.26Å; M720-C754 VanDerWaalsContact CB-SG 3.51Å
721	L	98.4	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.1	-45.1	176.9	-70.1	177.2	0	0	0	112.4	L717 V718 G723 I724 A725 Y806 M810 V813 L849 L874	L717-L721 WeakPolarHBondContact O-CG 3.36Å; L717-L721 PolarHBondContact O-N 3.44Å; V718-L721 PolarHBondContact O-N 3.09Å; L721-G723 VanDerWaalsContact C-N 3.29Å; L721-G723 PolarHBondContact O-N 3.02Å; L721-I724 HydrophobicContact CD2-CD1 4.49Å; L721-I724 PolarHBondContact O-N 3.37Å; L721-A725 WeakPolarHBondContact O-CB 3.47Å; L721-A725 PolarHBondContact O-N 2.99Å; L721-Y806 PolarHBondContact O-OH 3.17Å; L721-M810 HydrophobicContact CD1-CB 4.34Å; L721-M810 HydrophobicContact CD1-CG 4.03Å; L721-M810 HydrophobicContact CD2-CB 4.32Å; L721-M810 HydrophobicContact CD2-CG 3.87Å; L721-M810 HydrophobicContact CG-CG 4.47Å; L721-V813 HydrophobicContact CD1-CG1 4.39Å; L721-V813 HydrophobicContact CD2-CB 3.8Å; L721-V813 HydrophobicContact CD2-CG1 4.14Å; L721-V813 HydrophobicContact CD2-CG2 3.61Å; L721-V813 HydrophobicContact CG-CB 4.22Å; L721-V813 HydrophobicContact CG-CG1 4.04Å; L721-V813 HydrophobicContact CG-CG2 4.39Å; L721-L849 HydrophobicContact CD1-CD1 4.15Å; L721-L849 HydrophobicContact CD1-CD2 4.1Å; L721-L874 HydrophobicContact CB-CD1 4.4Å; L721-L874 HydrophobicContact CB-CD2 4.48Å
722	R	98.1	Very high	95.5	Very high	80 Å²	80	26.6 Å²	26.6	30%	0.302	14%	0.142	S	C	.	.	H	α-helix	trans	-60.7	-39.1	177.3	-173.4	-87.3	-175.5	-160	-1.7	111.6	V718 G719 M720 S726 L874 D875 I878	V718-R722 VanDerWaalsContact O-CB 3.28Å; V718-R722 WeakPolarHBondContact O-CB 3.45Å; V718-R722 PolarHBondContact O-N 3.38Å; G719-R722 PolarHBondContact O-N 3.34Å; M720-R722 PolarHBondContact O-N 2.89Å; R722-S726 WeakPolarHBondContact O-CB 3.34Å; R722-S726 PolarHBondContact O-N 2.71Å; R722-L874 HydrophobicContact CB-CB 4.12Å; R722-L874 HydrophobicContact CB-CD1 4.31Å; R722-L874 HydrophobicContact CG-CB 4.22Å; R722-D875 WeakPolarHBondContact CG-OD1 3.34Å; R722-D875 IonicContact CZ-OD1 3.83Å; R722-D875 IonicContact NE-OD1 3.93Å; R722-D875 PolarHBondContact NE-OD1 3.31Å; R722-D875 IonicContact NH2-OD1 3.86Å; R722-D875 IonicContact NH2-OD2 2.88Å; R722-I878 HydrophobicContact CB-CD1 3.92Å; R722-I878 HydrophobicContact CG-CD1 3.94Å
723	G	97.4	Very high	95.6	Very high	7 Å²	7	30.6 Å²	30.6	7%	0.072	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-51.7	173	0	0	0	0	0	112.1	N675 G719 M720 L721 A725 S726 G727	N675-G723 WeakPolarHBondContact CB-O 3.16Å; N675-G723 WeakPolarHBondContact ND2-CA 3.5Å; N675-G723 PolarHBondContact OD1-O 3.14Å; G719-G723 PolarHBondContact O-N 3.03Å; M720-G723 PolarHBondContact O-N 2.97Å; M720-G723 VanDerWaalsContact O-N 3.14Å; L721-G723 VanDerWaalsContact C-N 3.29Å; L721-G723 PolarHBondContact O-N 3.02Å; G723-A725 PolarHBondContact O-N 3.42Å; G723-S726 WeakPolarHBondContact O-CB 3.46Å; G723-S726 PolarHBondContact O-N 3.16Å; G723-S726 VanDerWaalsContact O-N 3.13Å; G723-G727 PolarHBondContact O-N 3.48Å; G723-G727 VanDerWaalsContact O-N 3.08Å
724	I	98.6	Very high	95.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.6	-47.3	178.2	-59.8	162.1	0	0	0	110.7	L701 M720 L721 S726 G727 M728 L741 I746 C754 V756 Y806 V809	L701-I724 HydrophobicContact CD2-CD1 3.71Å; M720-I724 WeakPolarHBondContact O-CG1 3.39Å; M720-I724 PolarHBondContact O-N 3.12Å; M720-I724 VanDerWaalsContact O-N 3.08Å; L721-I724 HydrophobicContact CD2-CD1 4.49Å; L721-I724 PolarHBondContact O-N 3.37Å; I724-S726 VanDerWaalsContact C-N 3.29Å; I724-S726 PolarHBondContact O-N 3.44Å; I724-G727 PolarHBondContact O-N 2.86Å; I724-G727 VanDerWaalsContact O-N 3.16Å; I724-M728 WeakPolarHBondContact O-CG 3.43Å; I724-M728 PolarHBondContact O-N 3.45Å; I724-L741 HydrophobicContact CG2-CD1 4.47Å; I724-I746 HydrophobicContact CD1-CG1 4.1Å; I724-I746 HydrophobicContact CD1-CG2 3.95Å; I724-I746 HydrophobicContact CG1-CD1 4.28Å; I724-I746 HydrophobicContact CG1-CG1 4.27Å; I724-I746 HydrophobicContact CG1-CG2 3.85Å; I724-I746 HydrophobicContact CG2-CD1 3.9Å; I724-I746 HydrophobicContact CG2-CG1 4.45Å; I724-C754 HydrophobicContact CD1-CB 4.21Å; I724-C754 HydrophobicContact CG1-CB 3.67Å; I724-V756 HydrophobicContact CG2-CG2 4.3Å; I724-Y806 HydrophobicContact CB-CE2 4.06Å; I724-Y806 HydrophobicContact CG2-CD2 3.96Å; I724-Y806 HydrophobicContact CG2-CE2 3.78Å; I724-V809 HydrophobicContact CD1-CG1 4.03Å
725	A	98.6	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-36.9	177.2	0	0	0	0	0	112.7	L721 G723 M728 R729 Y806 V870 V871 L874	L721-A725 WeakPolarHBondContact O-CB 3.47Å; L721-A725 PolarHBondContact O-N 2.99Å; G723-A725 PolarHBondContact O-N 3.42Å; A725-M728 PolarHBondContact O-N 3.03Å; A725-R729 WeakPolarHBondContact O-CB 3.17Å; A725-R729 PolarHBondContact O-N 3.4Å; A725-Y806 HydrophobicContact CB-CE1 4.49Å; A725-Y806 HydrophobicContact CB-CE2 3.92Å; A725-V870 HydrophobicContact CB-CG1 3.98Å; A725-V871 HydrophobicContact CB-CG2 3.71Å; A725-L874 HydrophobicContact CB-CD1 3.91Å
726	S	98.5	Very high	95	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-40.8	176	-166.6	0	0	0	0	111.8	H673 R722 G723 I724 Y730	H673-S726 PolarHBondContact CE1-O 2.64Å; H673-S726 PolarHBondContact CE1-OG 2.83Å; H673-S726 PolarHBondContact NE2-OG 3.43Å; R722-S726 WeakPolarHBondContact O-CB 3.34Å; R722-S726 PolarHBondContact O-N 2.71Å; G723-S726 WeakPolarHBondContact O-CB 3.46Å; G723-S726 PolarHBondContact O-N 3.16Å; G723-S726 VanDerWaalsContact O-N 3.13Å; I724-S726 VanDerWaalsContact C-N 3.29Å; I724-S726 PolarHBondContact O-N 3.44Å; S726-Y730 PolarHBondContact O-N 3.36Å
727	G	97.6	Very high	94.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-46.3	173.7	0	0	0	0	0	112	G723 I724 R729 Y730 L731	G723-G727 PolarHBondContact O-N 3.48Å; G723-G727 VanDerWaalsContact O-N 3.08Å; I724-G727 PolarHBondContact O-N 2.86Å; I724-G727 VanDerWaalsContact O-N 3.16Å; G727-R729 VanDerWaalsContact C-N 3.34Å; G727-R729 PolarHBondContact O-N 2.78Å; G727-Y730 WeakPolarHBondContact O-CB 3.46Å; G727-Y730 PolarHBondContact O-N 3.22Å; G727-Y730 VanDerWaalsContact O-N 3.14Å; G727-L731 PolarHBondContact O-N 3.13Å
728	M	97.9	Very high	94.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-31.7	179	-68.1	-55.1	-55	0	0	113.8	I724 A725 Y730 L731 A732 H738 L741 V756 D802 F867	I724-M728 WeakPolarHBondContact O-CG 3.43Å; I724-M728 PolarHBondContact O-N 3.45Å; A725-M728 PolarHBondContact O-N 3.03Å; M728-Y730 VanDerWaalsContact C-N 3.34Å; M728-L731 HydrophobicContact CE-CD1 4.42Å; M728-L731 PolarHBondContact O-N 2.82Å; M728-L731 HydrophobicContact SD-CD1 3.91Å; M728-A732 WeakPolarHBondContact O-CB 3.26Å; M728-A732 PolarHBondContact O-N 3.34Å; M728-H738 HydrophobicContact CE-CB 3.88Å; M728-H738 HydrophobicContact SD-CB 4.36Å; M728-L741 HydrophobicContact CE-CD2 4.01Å; M728-L741 HydrophobicContact CG-CD1 4.23Å; M728-L741 HydrophobicContact CG-CD2 3.81Å; M728-L741 HydrophobicContact SD-CD1 3.76Å; M728-L741 HydrophobicContact SD-CD2 3.87Å; M728-L741 HydrophobicContact SD-CG 4.37Å; M728-V756 HydrophobicContact CG-CG2 4.32Å; M728-V756 HydrophobicContact SD-CG1 4.07Å; M728-V756 HydrophobicContact SD-CG2 4.15Å; M728-D802 HydrophobicContact CE-CB 3.74Å; M728-F867 HydrophobicContact CB-CD1 3.5Å; M728-F867 HydrophobicContact CB-CD2 4.02Å; M728-F867 HydrophobicContact CB-CE1 3.3Å; M728-F867 HydrophobicContact CB-CE2 3.84Å; M728-F867 HydrophobicContact CB-CG 3.87Å; M728-F867 HydrophobicContact CB-CZ 3.49Å; M728-F867 VanDerWaalsContact CB-CZ 3.49Å; M728-F867 HydrophobicContact CE-CE2 4.01Å; M728-F867 HydrophobicContact CE-CZ 3.86Å; M728-F867 HydrophobicContact CG-CE1 3.93Å; M728-F867 HydrophobicContact CG-CZ 4.01Å
729	R	97.4	Very high	94.3	Very high	75 Å²	75	26.9 Å²	26.9	28%	0.283	14%	0.143	S	C	.	.	H	α-helix	trans	-57.7	-49	168.8	-179.9	-173.1	65.4	-175	-1.7	110.8	A725 G727 A732 E733 F867 P868 V871	A725-R729 WeakPolarHBondContact O-CB 3.17Å; A725-R729 PolarHBondContact O-N 3.4Å; G727-R729 VanDerWaalsContact C-N 3.34Å; G727-R729 PolarHBondContact O-N 2.78Å; R729-A732 PolarHBondContact O-N 3.29Å; R729-E733 WeakPolarHBondContact CG-OE1 3.21Å; R729-E733 WeakPolarHBondContact O-CG 3.27Å; R729-E733 PolarHBondContact O-N 3.04Å; R729-F867 HydrophobicContact CB-CB 3.82Å; R729-F867 HydrophobicContact CG-CB 4.46Å; R729-P868 HydrophobicContact CG-CG 3.99Å; R729-V871 HydrophobicContact CB-CG2 4.45Å
730	Y	96.3	Very high	94	Very high	35 Å²	35	25.5 Å²	25.5	14%	0.137	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-45.7	179.4	171	-97.1	0	0	0	112	F671 E672 H673 I676 S726 G727 M728 A732 E733 M734	F671-Y730 HydrophobicContact CB-CE1 3.96Å; F671-Y730 HydrophobicContact CD1-CE1 4.04Å; F671-Y730 HydrophobicContact CG-CE1 4.29Å; E672-Y730 PolarHBondContact N-OH 2.89Å; H673-Y730 HydrophobicContact CB-CD1 3.73Å; H673-Y730 HydrophobicContact CB-CD2 4.17Å; H673-Y730 HydrophobicContact CB-CE1 4.01Å; H673-Y730 HydrophobicContact CB-CE2 4.42Å; H673-Y730 HydrophobicContact CB-CG 3.8Å; H673-Y730 AromaticContact CD2-CG 3.92Å; H673-Y730 AromaticContact CG-CG 3.91Å; I676-Y730 HydrophobicContact CG1-CD1 4.02Å; S726-Y730 PolarHBondContact O-N 3.36Å; G727-Y730 WeakPolarHBondContact O-CB 3.46Å; G727-Y730 PolarHBondContact O-N 3.22Å; G727-Y730 VanDerWaalsContact O-N 3.14Å; M728-Y730 VanDerWaalsContact C-N 3.34Å; Y730-A732 VanDerWaalsContact C-N 3.32Å; Y730-A732 PolarHBondContact O-N 3.46Å; Y730-E733 PolarHBondContact O-N 3.5Å; Y730-M734 HydrophobicContact CD1-CG 4.43Å; Y730-M734 HydrophobicContact CE1-CG 3.98Å; Y730-M734 HydrophobicContact CE2-CG 4.09Å; Y730-M734 HydrophobicContact CE2-SD 4.43Å; Y730-M734 WeakPolarHBondContact O-CG 3.4Å; Y730-M734 PolarHBondContact O-N 3.19Å
731	L	93.9	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-41.9	176.2	-67.3	178.5	0	0	0	112.1	F671 I676 G727 M728 E733 M734 S735 Y736 V756 F759	F671-L731 HydrophobicContact CD1-CD2 4.07Å; F671-L731 HydrophobicContact CD2-CD2 3.86Å; F671-L731 HydrophobicContact CE1-CD2 4Å; F671-L731 HydrophobicContact CE2-CD2 3.75Å; F671-L731 HydrophobicContact CG-CD2 4.02Å; F671-L731 HydrophobicContact CZ-CD2 3.86Å; I676-L731 HydrophobicContact CD1-CD1 3.86Å; I676-L731 HydrophobicContact CD1-CD2 4.15Å; I676-L731 HydrophobicContact CD1-CG 3.81Å; G727-L731 PolarHBondContact O-N 3.13Å; M728-L731 HydrophobicContact CE-CD1 4.42Å; M728-L731 PolarHBondContact O-N 2.82Å; M728-L731 HydrophobicContact SD-CD1 3.91Å; L731-E733 PolarHBondContact O-N 3.44Å; L731-M734 CarbonylContact O-C 3.54Å; L731-M734 WeakPolarHBondContact O-CB 3.28Å; L731-M734 PolarHBondContact O-N 2.77Å; L731-S735 PolarHBondContact O-N 2.82Å; L731-Y736 CarbonylContact C-O 3.24Å; L731-Y736 HydrophobicContact CB-CD1 4.31Å; L731-Y736 HydrophobicContact CD1-CD1 4.22Å; L731-Y736 HydrophobicContact CD2-CD1 3.98Å; L731-Y736 HydrophobicContact CG-CD1 4.39Å; L731-Y736 PolarHBondContact O-N 3.4Å; L731-V756 HydrophobicContact CD1-CG1 4.41Å; L731-F759 HydrophobicContact CD1-CE1 4.06Å; L731-F759 HydrophobicContact CD2-CE1 4.24Å
732	A	91.2	Very high	93.7	Very high	27 Å²	27	25.3 Å²	25.3	22%	0.223	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-37.8	176.8	0	0	0	0	0	112.7	M728 R729 Y730 M734 S735 F867	M728-A732 WeakPolarHBondContact O-CB 3.26Å; M728-A732 PolarHBondContact O-N 3.34Å; R729-A732 PolarHBondContact O-N 3.29Å; Y730-A732 VanDerWaalsContact C-N 3.32Å; Y730-A732 PolarHBondContact O-N 3.46Å; A732-M734 VanDerWaalsContact C-N 3.33Å; A732-S735 PolarHBondContact O-N 3.04Å; A732-S735 VanDerWaalsContact O-N 3.08Å; A732-F867 HydrophobicContact CB-CD2 4.1Å
733	E	91.3	Very high	93.6	Very high	112 Å²	112	21.5 Å²	21.5	52%	0.523	11%	0.112	S	C	.	.	H	α-helix	trans	-65.4	-36.5	173.5	-73.6	168.1	-176.1	0	0	111.8	R729 Y730 L731 S735	R729-E733 WeakPolarHBondContact CG-OE1 3.21Å; R729-E733 WeakPolarHBondContact O-CG 3.27Å; R729-E733 PolarHBondContact O-N 3.04Å; Y730-E733 PolarHBondContact O-N 3.5Å; L731-E733 PolarHBondContact O-N 3.44Å; E733-S735 PolarHBondContact O-N 3.39Å
734	M	87.3	Confident	93.4	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.049	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	1.3	171.5	-69	-65.1	-60.3	0	0	113.4	K588 Y590 F671 Y730 L731 A732 Y736	K588-M734 HydrophobicContact CB-CE 4.13Å; K588-M734 HydrophobicContact CB-SD 3.98Å; K588-M734 HydrophobicContact CD-CE 3.95Å; K588-M734 HydrophobicContact CD-SD 4.31Å; K588-M734 HydrophobicContact CG-CE 3.89Å; K588-M734 HydrophobicContact CG-SD 4.34Å; Y590-M734 WeakPolarHBondContact CB-O 3.22Å; Y590-M734 PolarHBondContact N-O 2.84Å; F671-M734 HydrophobicContact CD1-CG 4.48Å; F671-M734 HydrophobicContact CE1-CB 4.29Å; Y730-M734 HydrophobicContact CD1-CG 4.43Å; Y730-M734 HydrophobicContact CE1-CG 3.98Å; Y730-M734 HydrophobicContact CE2-CG 4.09Å; Y730-M734 HydrophobicContact CE2-SD 4.43Å; Y730-M734 WeakPolarHBondContact O-CG 3.4Å; Y730-M734 PolarHBondContact O-N 3.19Å; L731-M734 CarbonylContact O-C 3.54Å; L731-M734 WeakPolarHBondContact O-CB 3.28Å; L731-M734 PolarHBondContact O-N 2.77Å; A732-M734 VanDerWaalsContact C-N 3.33Å; M734-Y736 PolarHBondContact O-N 3.38Å
735	S	85.1	Confident	93.2	Very high	84 Å²	84	24.4 Å²	24.4	59%	0.587	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	26.5	-173.9	-57.8	0	0	0	0	114	L731 A732 E733	L731-S735 PolarHBondContact O-N 2.82Å; A732-S735 PolarHBondContact O-N 3.04Å; A732-S735 VanDerWaalsContact O-N 3.08Å; E733-S735 PolarHBondContact O-N 3.39Å
736	Y	89.3	Confident	93.2	Very high	8 Å²	8	24.4 Å²	24.4	3%	0.031	12%	0.121	C	C	.	.			trans	-96.3	140.7	175.4	-172.6	-96.1	0	0	0	111	Y590 I667 F671 L731 M734 F759 S762	Y590-Y736 AromaticContact CD1-CD2 3.8Å; Y590-Y736 HydrophobicContact CD1-CD2 3.8Å; Y590-Y736 AromaticContact CD2-CD2 3.68Å; Y590-Y736 HydrophobicContact CD2-CD2 3.68Å; Y590-Y736 HydrophobicContact CD2-CE2 4.26Å; Y590-Y736 AromaticContact CE1-CD2 3.73Å; Y590-Y736 HydrophobicContact CE1-CD2 3.73Å; Y590-Y736 HydrophobicContact CE1-CE2 4.06Å; Y590-Y736 AromaticContact CE2-CD2 3.61Å; Y590-Y736 HydrophobicContact CE2-CD2 3.61Å; Y590-Y736 AromaticContact CE2-CE2 3.72Å; Y590-Y736 HydrophobicContact CE2-CE2 3.72Å; Y590-Y736 AromaticContact CG-CD2 3.76Å; Y590-Y736 HydrophobicContact CG-CD2 3.76Å; Y590-Y736 AromaticContact CZ-CD2 3.63Å; Y590-Y736 AromaticContact CZ-CE2 3.59Å; I667-Y736 HydrophobicContact CG2-CE2 3.85Å; F671-Y736 HydrophobicContact CE1-CG 4.4Å; F671-Y736 HydrophobicContact CE2-CD1 4.28Å; F671-Y736 HydrophobicContact CE2-CD2 4.38Å; F671-Y736 HydrophobicContact CE2-CE1 4.36Å; F671-Y736 HydrophobicContact CE2-CE2 4.45Å; F671-Y736 HydrophobicContact CE2-CG 4.28Å; F671-Y736 AromaticContact CZ-CD1 3.99Å; F671-Y736 HydrophobicContact CZ-CD1 3.99Å; F671-Y736 AromaticContact CZ-CD2 3.66Å; F671-Y736 HydrophobicContact CZ-CD2 3.66Å; F671-Y736 HydrophobicContact CZ-CE1 4.43Å; F671-Y736 HydrophobicContact CZ-CE2 4.12Å; F671-Y736 AromaticContact CZ-CG 3.57Å; F671-Y736 HydrophobicContact CZ-CG 3.57Å; L731-Y736 CarbonylContact C-O 3.24Å; L731-Y736 HydrophobicContact CB-CD1 4.31Å; L731-Y736 HydrophobicContact CD1-CD1 4.22Å; L731-Y736 HydrophobicContact CD2-CD1 3.98Å; L731-Y736 HydrophobicContact CG-CD1 4.39Å; L731-Y736 PolarHBondContact O-N 3.4Å; M734-Y736 PolarHBondContact O-N 3.38Å; Y736-F759 AromaticContact CE1-CD1 3.62Å; Y736-F759 HydrophobicContact CE1-CD1 3.62Å; Y736-F759 AromaticContact CE1-CE1 3.97Å; Y736-F759 HydrophobicContact CE1-CE1 3.97Å; Y736-F759 AromaticContact CZ-CD1 3.82Å; Y736-S762 WeakPolarHBondContact OH-CB 3.46Å
737	V	89.5	Confident	93.1	Very high	26 Å²	26	26.1 Å²	26.1	16%	0.158	13%	0.13	C	C	.	.			trans	-118.4	123.1	177	-175.3	0	0	0	0	108	R739 F797 D802	V737-R739 HydrophobicContact CB-CG 4.43Å; V737-R739 HydrophobicContact CG1-CG 3.9Å; V737-F797 HydrophobicContact CG1-CB 4.13Å; V737-D802 WeakPolarHBondContact CA-OD2 3.3Å; V737-D802 WeakPolarHBondContact CG1-OD2 3.5Å
738	H	91	Very high	93.1	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.014	13%	0.13	C	C	.	.			trans	-73.3	-41.4	-173	-168.1	-68.6	0	0	0	112.9	M728 D740 L741 V756 S757 D758 D802	M728-H738 HydrophobicContact CE-CB 3.88Å; M728-H738 HydrophobicContact SD-CB 4.36Å; H738-D740 PolarHBondContact CE1-O 2.93Å; H738-D740 VanDerWaalsContact CE1-O 3.24Å; H738-D740 PolarHBondContact ND1-N 2.92Å; H738-D740 PolarHBondContact ND1-O 2.95Å; H738-D740 PolarHBondContact O-N 3.43Å; H738-L741 PolarHBondContact ND1-N 2.99Å; H738-V756 WeakPolarHBondContact CD2-CG1 3.47Å; H738-V756 VanDerWaalsContact NE2-CG1 3.29Å; H738-V756 WeakPolarHBondContact NE2-CG1 3.49Å; H738-S757 PolarHBondContact CE1-O 3.49Å; H738-S757 PolarHBondContact NE2-O 2.91Å; H738-D758 PolarHBondContact CE1-O 2.75Å; H738-D802 PolarHBondContact N-OD2 3.41Å
739	R	88.8	Confident	92.9	Very high	54 Å²	54	27.2 Å²	27.2	20%	0.204	14%	0.136	C	C	.	.	S	Bend	trans	68.9	-26.3	176.9	-46.8	-173.9	-172	-169	2.6	117.1	V737 S762 F797 D802	V737-R739 HydrophobicContact CB-CG 4.43Å; V737-R739 HydrophobicContact CG1-CG 3.9Å; R739-S762 VanDerWaalsContact CD-O 3.22Å; R739-S762 WeakPolarHBondContact CD-O 3.14Å; R739-S762 PolarHBondContact NE-O 2.98Å; R739-S762 PolarHBondContact NH1-O 3.2Å; R739-F797 HydrophobicContact CB-CD1 3.87Å; R739-F797 HydrophobicContact CB-CE1 4.15Å; R739-F797 HydrophobicContact CB-CG 4.49Å; R739-F797 HydrophobicContact CG-CB 4.04Å; R739-F797 HydrophobicContact CG-CD1 3.81Å; R739-F797 HydrophobicContact CG-CG 3.98Å; R739-D802 PolarHBondContact N-OD1 2.69Å
740	D	89.5	Confident	92.7	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	14%	0.144	C	C	.	.			trans	-125.2	54	173	-163.6	9.1	0	0	0	112.8	H738 A742 R744 N745 L761 Y774 P783	H738-D740 PolarHBondContact CE1-O 2.93Å; H738-D740 VanDerWaalsContact CE1-O 3.24Å; H738-D740 PolarHBondContact ND1-N 2.92Å; H738-D740 PolarHBondContact ND1-O 2.95Å; H738-D740 PolarHBondContact O-N 3.43Å; D740-A742 PolarHBondContact O-N 2.99Å; D740-R744 VanDerWaalsContact CG-NH2 3.27Å; D740-R744 IonicContact OD1-CZ 2.79Å; D740-R744 IonicContact OD1-NH2 3.06Å; D740-R744 PolarHBondContact OD1-NH2 3.4Å; D740-R744 IonicContact OD2-NH2 3.65Å; D740-R744 PolarHBondContact OD2-NH2 3.49Å; D740-N745 PolarHBondContact O-ND2 3.26Å; D740-N745 PolarHBondContact OD2-ND2 3.31Å; D740-L761 HydrophobicContact CB-CD1 4.13Å; D740-L761 WeakPolarHBondContact OD2-CD1 3.5Å; D740-Y774 PolarHBondContact OD2-OH 3.01Å; D740-P783 WeakPolarHBondContact OD1-CG 3.25Å
741	L	95.3	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.			trans	-80	111.4	177.1	-177.6	67.3	0	0	0	110	I724 M728 H738 I746 V756 S805 Y806 V809	I724-L741 HydrophobicContact CG2-CD1 4.47Å; M728-L741 HydrophobicContact CE-CD2 4.01Å; M728-L741 HydrophobicContact CG-CD1 4.23Å; M728-L741 HydrophobicContact CG-CD2 3.81Å; M728-L741 HydrophobicContact SD-CD1 3.76Å; M728-L741 HydrophobicContact SD-CD2 3.87Å; M728-L741 HydrophobicContact SD-CG 4.37Å; H738-L741 PolarHBondContact ND1-N 2.99Å; L741-I746 HydrophobicContact CD1-CD1 3.88Å; L741-V756 HydrophobicContact CD1-CG1 4.19Å; L741-S805 WeakPolarHBondContact O-CB 3.38Å; L741-Y806 HydrophobicContact CD2-CD2 4.26Å; L741-V809 HydrophobicContact CG-CG2 4.19Å
742	A	95.4	Very high	92.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.			trans	-150.6	160.1	179	0	0	0	0	0	110.3	D740 R744 N745 W786	D740-A742 PolarHBondContact O-N 2.99Å; A742-R744 HydrophobicContact CB-CG 4.02Å; A742-R744 PolarHBondContact O-N 3.27Å; A742-N745 PolarHBondContact O-N 2.84Å; A742-W786 HydrophobicContact CB-CD2 4.18Å; A742-W786 HydrophobicContact CB-CG 4.01Å
743	A	96.4	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.8	-31.5	-179.4	0	0	0	0	0	113.4	L701 D702 N745 I746 E812	L701-A743 WeakPolarHBondContact CB-O 3.43Å; D702-A743 HydrophobicContact CB-CB 3.84Å; A743-N745 PolarHBondContact O-N 2.67Å; A743-I746 PolarHBondContact O-N 3.07Å; A743-I746 VanDerWaalsContact O-N 3.16Å; A743-E812 HydrophobicContact CB-CB 3.99Å; A743-E812 HydrophobicContact CB-CG 4.46Å; A743-E812 WeakPolarHBondContact CB-OE2 3.39Å; A743-E812 PolarHBondContact N-OE2 3.34Å
744	R	93.1	Very high	93.2	Very high	55 Å²	55	29.4 Å²	29.4	21%	0.208	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-62.3	-23.6	173.8	66.5	-180	-174.1	-75.3	-6.7	114.4	D740 A742 Y774	D740-R744 VanDerWaalsContact CG-NH2 3.27Å; D740-R744 IonicContact OD1-CZ 2.79Å; D740-R744 IonicContact OD1-NH2 3.06Å; D740-R744 PolarHBondContact OD1-NH2 3.4Å; D740-R744 IonicContact OD2-NH2 3.65Å; D740-R744 PolarHBondContact OD2-NH2 3.49Å; A742-R744 HydrophobicContact CB-CG 4.02Å; A742-R744 PolarHBondContact O-N 3.27Å; R744-Y774 PolarHBondContact NH2-OH 3.4Å
745	N	94.6	Very high	93.7	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.064	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-100.5	9.9	180	-67.2	-8.9	0	0	0	112.1	D740 A742 A743 S757 D758	D740-N745 PolarHBondContact O-ND2 3.26Å; D740-N745 PolarHBondContact OD2-ND2 3.31Å; A742-N745 PolarHBondContact O-N 2.84Å; A743-N745 PolarHBondContact O-N 2.67Å; N745-S757 CarbonylContact O-C 3.54Å; N745-S757 PolarHBondContact O-N 2.67Å; N745-S757 PolarHBondContact O-OG 2.79Å; N745-D758 HydrophobicContact CB-CB 4.13Å; N745-D758 PolarHBondContact OD1-OD2 3.45Å
746	I	97.8	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.9	171.3	-54.5	-55	0	0	0	108.4	A700 L701 I724 L741 A743 C754 K755 V756	A700-I746 CarbonylContact C-O 3.56Å; A700-I746 WeakPolarHBondContact CA-O 3.26Å; L701-I746 HydrophobicContact CB-CB 3.87Å; L701-I746 HydrophobicContact CB-CG2 4.07Å; L701-I746 WeakPolarHBondContact CB-O 3.25Å; L701-I746 HydrophobicContact CD2-CB 3.94Å; L701-I746 HydrophobicContact CD2-CG1 4.38Å; L701-I746 HydrophobicContact CD2-CG2 3.8Å; L701-I746 PolarHBondContact N-O 2.76Å; I724-I746 HydrophobicContact CD1-CG1 4.1Å; I724-I746 HydrophobicContact CD1-CG2 3.95Å; I724-I746 HydrophobicContact CG1-CD1 4.28Å; I724-I746 HydrophobicContact CG1-CG1 4.27Å; I724-I746 HydrophobicContact CG1-CG2 3.85Å; I724-I746 HydrophobicContact CG2-CD1 3.9Å; I724-I746 HydrophobicContact CG2-CG1 4.45Å; L741-I746 HydrophobicContact CD1-CD1 3.88Å; A743-I746 PolarHBondContact O-N 3.07Å; A743-I746 VanDerWaalsContact O-N 3.16Å; I746-C754 HydrophobicContact CG2-CB 3.68Å; I746-K755 WeakPolarHBondContact CA-O 3.43Å; I746-V756 HydrophobicContact CD1-CB 4.18Å; I746-V756 HydrophobicContact CD1-CG1 4.22Å; I746-V756 HydrophobicContact CD1-CG2 3.9Å
747	L	96.7	Very high	94.4	Very high	42 Å²	42	26 Å²	26	22%	0.22	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.5	175.2	-63.1	174.1	0	0	0	111.2	I677 M696 G699 C754 K755	I677-L747 HydrophobicContact CD1-CD1 3.96Å; I677-L747 HydrophobicContact CG1-CD1 4.36Å; M696-L747 HydrophobicContact CB-CB 3.78Å; M696-L747 HydrophobicContact CB-CD1 4.36Å; M696-L747 VanDerWaalsContact CE-C 3.49Å; M696-L747 HydrophobicContact CE-CB 3.92Å; M696-L747 VanDerWaalsContact CE-O 3.28Å; M696-L747 WeakPolarHBondContact CE-O 3.23Å; M696-L747 HydrophobicContact CG-CB 3.64Å; M696-L747 HydrophobicContact CG-CD1 3.96Å; M696-L747 HydrophobicContact CG-CG 4.42Å; G699-L747 CarbonylContact O-C 3.59Å; G699-L747 WeakPolarHBondContact O-CA 3.07Å; L747-C754 CarbonylContact O-C 3.54Å; L747-C754 WeakPolarHBondContact O-CA 3.4Å; L747-K755 PolarHBondContact N-O 3.44Å; L747-K755 PolarHBondContact O-N 3.49Å
748	V	97.1	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.3	-176.8	-169.3	0	0	0	0	110.1	M696 N698 G699 L701 F704	M696-V748 CarbonylContact C-O 3.57Å; N698-V748 WeakPolarHBondContact CA-O 3.44Å; N698-V748 HydrophobicContact CB-CB 3.93Å; N698-V748 HydrophobicContact CB-CG1 4.15Å; N698-V748 WeakPolarHBondContact CB-O 3.4Å; N698-V748 PolarHBondContact N-O 3.03Å; G699-V748 PolarHBondContact O-N 3.21Å; L701-V748 HydrophobicContact CB-CG2 3.75Å; L701-V748 HydrophobicContact CD1-CG2 3.59Å; L701-V748 HydrophobicContact CG-CG2 4.24Å; F704-V748 HydrophobicContact CD1-CB 4.43Å; F704-V748 HydrophobicContact CD1-CG1 4.21Å; F704-V748 HydrophobicContact CD1-CG2 4.24Å; F704-V748 HydrophobicContact CE1-CG1 4.09Å
749	N	94.9	Very high	93.5	Very high	24 Å²	24	27 Å²	27	13%	0.128	14%	0.143	C	C	.	.			trans	-94.7	175	174.7	77.2	2.8	0	0	0	111.9	M696 E697 N698 N751 L752 V753	M696-N749 HydrophobicContact CE-CB 3.86Å; M696-N749 HydrophobicContact SD-CB 4.02Å; E697-N749 VanDerWaalsContact OE2-CA 3.25Å; E697-N749 WeakPolarHBondContact OE2-CA 3.02Å; E697-N749 VanDerWaalsContact OE2-CB 3.3Å; E697-N749 WeakPolarHBondContact OE2-CB 3.34Å; N698-N749 PolarHBondContact ND2-O 3.43Å; N749-N751 PolarHBondContact O-N 2.95Å; N749-N751 VanDerWaalsContact O-N 3.09Å; N749-N751 WeakPolarHBondContact OD1-CA 3.43Å; N749-N751 PolarHBondContact OD1-N 3.37Å; N749-L752 PolarHBondContact O-N 3.19Å; N749-L752 PolarHBondContact OD1-N 3.47Å; N749-V753 PolarHBondContact N-O 3.45Å; N749-V753 WeakPolarHBondContact OD1-CB 3.42Å; N749-V753 PolarHBondContact OD1-N 3.4Å
750	S	92.9	Very high	92.2	Very high	65 Å²	65	25.7 Å²	25.7	46%	0.455	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.5	178.7	50.1	0	0	0	0	114.7	E697	E697-S750 PolarHBondContact OE1-OG 3.2Å; E697-S750 PolarHBondContact OE2-N 3.33Å; E697-S750 PolarHBondContact OE2-OG 2.88Å
751	N	93.6	Very high	90.4	Very high	129 Å²	129	28.6 Å²	28.6	69%	0.69	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	14.6	177.4	-63.9	-52	0	0	0	113.5	N749 V753	N749-N751 PolarHBondContact O-N 2.95Å; N749-N751 VanDerWaalsContact O-N 3.09Å; N749-N751 WeakPolarHBondContact OD1-CA 3.43Å; N749-N751 PolarHBondContact OD1-N 3.37Å; N751-V753 HydrophobicContact CB-CG2 4.26Å; N751-V753 PolarHBondContact O-N 2.96Å
752	L	94.2	Very high	88.3	Confident	50 Å²	50	28.9 Å²	28.9	26%	0.262	16%	0.163	S	C	.	.			trans	61.4	20.7	-176.3	-50.6	179.2	0	0	0	114.2	F704 F712 M720 N749 C754	F704-L752 HydrophobicContact CE1-CD2 3.82Å; F704-L752 HydrophobicContact CZ-CD2 3.51Å; F712-L752 HydrophobicContact CE1-CD1 4.21Å; F712-L752 HydrophobicContact CE1-CD2 4.23Å; M720-L752 HydrophobicContact CE-CB 3.97Å; M720-L752 HydrophobicContact CE-CD1 4.16Å; M720-L752 HydrophobicContact CE-CD2 3.96Å; M720-L752 HydrophobicContact CE-CG 4.26Å; N749-L752 PolarHBondContact O-N 3.19Å; N749-L752 PolarHBondContact OD1-N 3.47Å; L752-C754 PolarHBondContact O-N 2.94Å
753	V	96.8	Very high	86.3	Confident	49 Å²	49	35 Å²	35	30%	0.297	19%	0.186	S	C	.	.			trans	-78.4	119.1	173.6	-178.1	0	0	0	0	108.6	N749 N751	N749-V753 PolarHBondContact N-O 3.45Å; N749-V753 WeakPolarHBondContact OD1-CB 3.42Å; N749-V753 PolarHBondContact OD1-N 3.4Å; N751-V753 HydrophobicContact CB-CG2 4.26Å; N751-V753 PolarHBondContact O-N 2.96Å
754	C	97.9	Very high	83.9	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	134.8	174.3	-64.7	0	0	0	0	111.2	N675 M720 I724 I746 L747 L752	N675-C754 PolarHBondContact ND2-O 3.04Å; M720-C754 VanDerWaalsContact CB-SG 3.51Å; I724-C754 HydrophobicContact CD1-CB 4.21Å; I724-C754 HydrophobicContact CG1-CB 3.67Å; I746-C754 HydrophobicContact CG2-CB 3.68Å; L747-C754 CarbonylContact O-C 3.54Å; L747-C754 WeakPolarHBondContact O-CA 3.4Å; L752-C754 PolarHBondContact O-N 2.94Å
755	K	97.9	Very high	81.4	Confident	20 Å²	20	43 Å²	43	9%	0.087	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.7	175.3	-58	-166.1	178.3	-152.1	0	111	P674 N675 E694 M696 I746 L747	P674-K755 WeakPolarHBondContact O-CE 3.48Å; P674-K755 PolarHBondContact O-NZ 2.62Å; N675-K755 WeakPolarHBondContact O-CA 3.29Å; E694-K755 VanDerWaalsContact OE1-CD 3.26Å; E694-K755 WeakPolarHBondContact OE1-CD 3.27Å; E694-K755 WeakPolarHBondContact OE1-CE 3.42Å; E694-K755 IonicContact OE1-NZ 2.72Å; E694-K755 PolarHBondContact OE1-NZ 3.47Å; E694-K755 WeakPolarHBondContact OE2-CE 3.35Å; E694-K755 IonicContact OE2-NZ 3.41Å; E694-K755 PolarHBondContact OE2-NZ 3.46Å; M696-K755 HydrophobicContact CE-CB 3.91Å; M696-K755 HydrophobicContact CE-CD 3.82Å; M696-K755 HydrophobicContact CE-CG 3.61Å; M696-K755 HydrophobicContact SD-CD 3.89Å; M696-K755 HydrophobicContact SD-CG 4.36Å; I746-K755 WeakPolarHBondContact CA-O 3.43Å; L747-K755 PolarHBondContact N-O 3.44Å; L747-K755 PolarHBondContact O-N 3.49Å
756	V	97.2	Very high	79.2	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	133.9	173.8	-172.2	0	0	0	0	108.9	N675 I676 I677 I724 M728 L731 H738 L741 I746	N675-V756 PolarHBondContact O-N 2.92Å; I676-V756 HydrophobicContact CD1-CB 3.74Å; I676-V756 HydrophobicContact CD1-CG2 4.06Å; I677-V756 WeakPolarHBondContact CG2-O 3.42Å; I677-V756 PolarHBondContact N-O 3.22Å; I724-V756 HydrophobicContact CG2-CG2 4.3Å; M728-V756 HydrophobicContact CG-CG2 4.32Å; M728-V756 HydrophobicContact SD-CG1 4.07Å; M728-V756 HydrophobicContact SD-CG2 4.15Å; L731-V756 HydrophobicContact CD1-CG1 4.41Å; H738-V756 WeakPolarHBondContact CD2-CG1 3.47Å; H738-V756 VanDerWaalsContact NE2-CG1 3.29Å; H738-V756 WeakPolarHBondContact NE2-CG1 3.49Å; L741-V756 HydrophobicContact CD1-CG1 4.19Å; I746-V756 HydrophobicContact CD1-CB 4.18Å; I746-V756 HydrophobicContact CD1-CG1 4.22Å; I746-V756 HydrophobicContact CD1-CG2 3.9Å
757	S	92.6	Very high	76.4	Confident	11 Å²	11	52.9 Å²	52.9	8%	0.077	27%	0.271	C	S	.	.			trans	-141.3	-178.6	-176.7	70.5	0	0	0	0	111	H738 N745	H738-S757 PolarHBondContact CE1-O 3.49Å; H738-S757 PolarHBondContact NE2-O 2.91Å; N745-S757 CarbonylContact O-C 3.54Å; N745-S757 PolarHBondContact O-N 2.67Å; N745-S757 PolarHBondContact O-OG 2.79Å
758	D	82.8	Confident	73.6	Confident	50 Å²	50	59 Å²	59	27%	0.267	30%	0.304	S	S	.	.			trans	63.6	81.1	179.5	-164.7	9	0	0	0	114.4	H738 N745 G760	H738-D758 PolarHBondContact CE1-O 2.75Å; N745-D758 HydrophobicContact CB-CB 4.13Å; N745-D758 PolarHBondContact OD1-OD2 3.45Å; D758-G760 PolarHBondContact OD1-N 2.95Å
759	F	78.9	Confident	70.8	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	33%	0.326	C	S	.	.			trans	-96.7	3.2	177.5	-57.8	-81.3	0	0	0	113.1	I667 M668 F671 I676 I677 L731 Y736 L761 S762	I667-F759 HydrophobicContact CB-CB 4.3Å; I667-F759 HydrophobicContact CG2-CB 3.74Å; I667-F759 HydrophobicContact CG2-CD1 4.09Å; I667-F759 HydrophobicContact CG2-CG 3.96Å; M668-F759 HydrophobicContact CG-CD2 3.36Å; M668-F759 HydrophobicContact CG-CE2 3.78Å; M668-F759 HydrophobicContact CG-CG 4.34Å; M668-F759 HydrophobicContact SD-CD2 4.14Å; F671-F759 HydrophobicContact CD2-CE1 4.07Å; F671-F759 HydrophobicContact CD2-CZ 4.06Å; F671-F759 HydrophobicContact CE2-CD1 4.09Å; F671-F759 AromaticContact CE2-CE1 3.86Å; F671-F759 HydrophobicContact CE2-CE1 3.86Å; F671-F759 HydrophobicContact CE2-CZ 4.31Å; I676-F759 HydrophobicContact CG2-CE2 4.32Å; I676-F759 HydrophobicContact CG2-CZ 3.82Å; I677-F759 HydrophobicContact CG2-CE2 3.84Å; L731-F759 HydrophobicContact CD1-CE1 4.06Å; L731-F759 HydrophobicContact CD2-CE1 4.24Å; Y736-F759 AromaticContact CE1-CD1 3.62Å; Y736-F759 HydrophobicContact CE1-CD1 3.62Å; Y736-F759 AromaticContact CE1-CE1 3.97Å; Y736-F759 HydrophobicContact CE1-CE1 3.97Å; Y736-F759 AromaticContact CZ-CD1 3.82Å; F759-L761 VanDerWaalsContact C-N 3.28Å; F759-L761 PolarHBondContact O-N 3.39Å; F759-S762 WeakPolarHBondContact O-CB 3.22Å; F759-S762 PolarHBondContact O-N 3.1Å; F759-S762 PolarHBondContact O-OG 2.99Å
760	G	60.1	Low	68.3	Low	25 Å²	25	67.2 Å²	67.2	26%	0.258	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.8	-172	0	0	0	0	0	114.3	D758 S762	D758-G760 PolarHBondContact OD1-N 2.95Å; G760-S762 VanDerWaalsContact C-N 3.34Å; G760-S762 PolarHBondContact O-N 3.35Å
761	L	52.4	Low	66.1	Low	67 Å²	67	67.2 Å²	67.2	35%	0.351	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	11.9	-177.7	-64.8	172.9	0	0	0	114	D740 F759 R763 Y774	D740-L761 HydrophobicContact CB-CD1 4.13Å; D740-L761 WeakPolarHBondContact OD2-CD1 3.5Å; F759-L761 VanDerWaalsContact C-N 3.28Å; F759-L761 PolarHBondContact O-N 3.39Å; L761-R763 VanDerWaalsContact C-N 3.34Å; L761-R763 PolarHBondContact O-N 2.94Å; L761-Y774 HydrophobicContact CD1-CE1 4.38Å
762	S	51.5	Low	63.7	Low	6 Å²	6	65.5 Å²	65.5	4%	0.042	35%	0.354	C	S	.	.	S	Bend	trans	-65.2	-26.7	-164.9	58.9	0	0	0	0	114.6	I667 Y736 R739 F759 G760	I667-S762 VanDerWaalsContact CD1-OG 3.28Å; I667-S762 WeakPolarHBondContact CD1-OG 3.49Å; Y736-S762 WeakPolarHBondContact OH-CB 3.46Å; R739-S762 VanDerWaalsContact CD-O 3.22Å; R739-S762 WeakPolarHBondContact CD-O 3.14Å; R739-S762 PolarHBondContact NE-O 2.98Å; R739-S762 PolarHBondContact NH1-O 3.2Å; F759-S762 WeakPolarHBondContact O-CB 3.22Å; F759-S762 PolarHBondContact O-N 3.1Å; F759-S762 PolarHBondContact O-OG 2.99Å; G760-S762 VanDerWaalsContact C-N 3.34Å; G760-S762 PolarHBondContact O-N 3.35Å
763	R	52.7	Low	61.5	Low	129 Å²	129	64.4 Å²	64.4	49%	0.487	35%	0.349	S	S	.	.	S	Bend	trans	-151	-0.6	-179	-76.6	-159.3	70.6	105.7	2.1	122.3	D592 L761	D592-R763 WeakPolarHBondContact OD2-CD 3.2Å; L761-R763 VanDerWaalsContact C-N 3.34Å; L761-R763 PolarHBondContact O-N 2.94Å
764	F	46.3	Very low	59.3	Low	151 Å²	151	64 Å²	64	66%	0.662	34%	0.343	S	S	*	.			trans	-130.6	139.1	178	-80.6	-83.4	0	0	0	116.1
765	L	40.6	Very low	57.1	Low	72 Å²	72	66.6 Å²	66.6	38%	0.377	36%	0.359	S	S	.	.			trans	-109	144.8	-164.1	-81.2	154.2	0	0	0	108.6	G779 G780 K781	L765-G779 WeakPolarHBondContact CB-O 3.26Å; L765-G779 VanDerWaalsContact CD1-O 3.23Å; L765-G779 WeakPolarHBondContact CD1-O 3.22Å; L765-G779 WeakPolarHBondContact CD2-O 3.28Å; L765-G779 WeakPolarHBondContact CG-O 3.43Å; L765-G780 VanDerWaalsContact CD2-CA 3.44Å; L765-K781 VanDerWaalsContact CD2-N 3.3Å; L765-K781 WeakPolarHBondContact CD2-O 3.34Å
766	E	48.3	Very low	54.6	Low	94 Å²	94	68.5 Å²	68.5	44%	0.439	38%	0.375	S	S	.	.			trans	86.4	146.7	169.4	-57.5	179.2	178	0	0	117.1	R656 G779 G780	R656-E766 PolarHBondContact NH2-O 3.07Å; E766-G779 VanDerWaalsContact OE1-C 3.25Å; E766-G779 WeakPolarHBondContact OE1-CA 3.35Å; E766-G780 PolarHBondContact OE1-N 2.89Å
767	E	38.7	Very low	51.9	Low	125 Å²	125	70.5 Å²	70.5	58%	0.584	39%	0.389	S	S	*	.			cis	-161.7	114.9	-9.8	-114.9	-178.8	177.7	0	0	101.2
768	N	38.2	Very low	49.5	Very low	170 Å²	170	79 Å²	79	91%	0.909	43%	0.433	S	S	*	.			trans	156.1	56.2	165.4	-78.3	-21.2	0	0	0	112.2
769	S	39.1	Very low	47.8	Very low	67 Å²	67	78 Å²	78	47%	0.469	43%	0.434	S	S	.	.			trans	-134.3	138.7	163	70.2	0	0	0	0	110.1	D771 K781	S769-D771 PolarHBondContact O-N 2.91Å; S769-K781 VanDerWaalsContact N-NZ 3.1Å; S769-K781 PolarHBondContact O-NZ 3.45Å; S769-K781 PolarHBondContact OG-NZ 3.35Å
770	S	41.8	Very low	46.6	Very low	130 Å²	130	78 Å²	78	91%	0.909	43%	0.434	S	S	*	.			trans	-83.4	12.2	-179	45.3	0	0	0	0	113	P772	S770-P772 WeakPolarHBondContact O-CD 3.46Å
771	D	46	Very low	46.8	Very low	64 Å²	64	79.4 Å²	79.4	34%	0.342	43%	0.433	S	S	.	.			trans	-75.8	116.6	-176.9	-173.6	-7.6	0	0	0	111.7	S769 T773 Y774	S769-D771 PolarHBondContact O-N 2.91Å; D771-T773 PolarHBondContact O-N 3.34Å; D771-T773 VanDerWaalsContact O-N 3.11Å; D771-T773 WeakPolarHBondContact OD1-CB 3.35Å; D771-T773 PolarHBondContact OD1-N 3.1Å; D771-T773 PolarHBondContact OD1-OG1 2.04Å; D771-Y774 HydrophobicContact CB-CD2 4.42Å; D771-Y774 PolarHBondContact O-N 3.45Å
772	P	43.8	Very low	47.9	Very low	94 Å²	94	76.5 Å²	76.5	61%	0.61	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-8	177.6	28.1	-35.5	0	0	0	114.3	S770 Y774 N826	S770-P772 WeakPolarHBondContact O-CD 3.46Å; P772-Y774 VanDerWaalsContact C-N 3.3Å; P772-N826 PolarHBondContact O-ND2 2.99Å
773	T	47.8	Very low	49.5	Very low	26 Å²	26	76.5 Å²	76.5	16%	0.16	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-26	176.6	-49.9	0	0	0	0	112.4	D771 W786	D771-T773 PolarHBondContact O-N 3.34Å; D771-T773 VanDerWaalsContact O-N 3.11Å; D771-T773 WeakPolarHBondContact OD1-CB 3.35Å; D771-T773 PolarHBondContact OD1-N 3.1Å; D771-T773 PolarHBondContact OD1-OG1 2.04Å; T773-W786 HydrophobicContact CG2-CH2 4.15Å; T773-W786 HydrophobicContact CG2-CZ3 3.64Å
774	Y	50.8	Low	51.3	Low	41 Å²	41	70.5 Å²	70.5	16%	0.161	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.7	-175.4	-66.6	-94.9	0	0	0	111.6	D740 R744 L761 D771 P772 K781 P783	D740-Y774 PolarHBondContact OD2-OH 3.01Å; R744-Y774 PolarHBondContact NH2-OH 3.4Å; L761-Y774 HydrophobicContact CD1-CE1 4.38Å; D771-Y774 HydrophobicContact CB-CD2 4.42Å; D771-Y774 PolarHBondContact O-N 3.45Å; P772-Y774 VanDerWaalsContact C-N 3.3Å; Y774-K781 HydrophobicContact CD1-CB 4.27Å; Y774-P783 HydrophobicContact CD1-CB 4.18Å; Y774-P783 HydrophobicContact CE1-CB 3.79Å; Y774-P783 HydrophobicContact CE1-CG 4.06Å
775	T	51.5	Low	53.5	Low	55 Å²	55	63.6 Å²	63.6	34%	0.337	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139	177.1	-56.5	0	0	0	0	110.9	I782 N826	T775-I782 PolarHBondContact N-O 2.83Å; T775-I782 PolarHBondContact O-N 2.89Å; T775-N826 PolarHBondContact OG1-ND2 2.97Å
776	S	46.3	Very low	56.1	Low	60 Å²	60	61 Å²	61	42%	0.42	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.6	170.8	-171.6	0	0	0	0	109.3
777	S	39.9	Very low	58.2	Low	43 Å²	43	56.8 Å²	56.8	30%	0.301	33%	0.33	S	S	.	.			trans	-122.4	102.1	169.7	51.2	0	0	0	0	109	G779 R795	S777-G779 VanDerWaalsContact C-N 3.34Å; S777-G779 PolarHBondContact O-N 2.73Å; S777-G779 VanDerWaalsContact O-N 3.1Å; S777-R795 PolarHBondContact O-NH2 3.16Å; S777-R795 PolarHBondContact OG-NH2 3.19Å
778	L	41.7	Very low	60.8	Low	190 Å²	190	50.9 Å²	50.9	100%	0.995	30%	0.303	S	S	*	.	S	Bend	trans	44	49.7	168	-71.7	154.6	0	0	0	114.5
779	G	47.5	Very low	63.3	Low	29 Å²	29	44.2 Å²	44.2	30%	0.299	27%	0.269	S	S	.	.	S	Bend	trans	133.9	22.5	-179.4	0	0	0	0	0	116	L765 E766 S777	L765-G779 WeakPolarHBondContact CB-O 3.26Å; L765-G779 VanDerWaalsContact CD1-O 3.23Å; L765-G779 WeakPolarHBondContact CD1-O 3.22Å; L765-G779 WeakPolarHBondContact CD2-O 3.28Å; L765-G779 WeakPolarHBondContact CG-O 3.43Å; E766-G779 VanDerWaalsContact OE1-C 3.25Å; E766-G779 WeakPolarHBondContact OE1-CA 3.35Å; S777-G779 VanDerWaalsContact C-N 3.34Å; S777-G779 PolarHBondContact O-N 2.73Å; S777-G779 VanDerWaalsContact O-N 3.1Å
780	G	53.7	Low	65.7	Low	0 Å²	0	42 Å²	42	0%	0	25%	0.251	C	S	.	.			trans	113.8	179.1	165.7	0	0	0	0	0	118.9	L765 E766 R795	L765-G780 VanDerWaalsContact CD2-CA 3.44Å; E766-G780 PolarHBondContact OE1-N 2.89Å; G780-R795 PolarHBondContact O-NH1 3.1Å; G780-R795 PolarHBondContact O-NH2 2.78Å
781	K	64.9	Low	68	Low	54 Å²	54	35.9 Å²	35.9	24%	0.235	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.7	-164	-69.1	-172.7	176.8	-145.7	0	114.7	L765 S769 Y774	L765-K781 VanDerWaalsContact CD2-N 3.3Å; L765-K781 WeakPolarHBondContact CD2-O 3.34Å; S769-K781 VanDerWaalsContact N-NZ 3.1Å; S769-K781 PolarHBondContact O-NZ 3.45Å; S769-K781 PolarHBondContact OG-NZ 3.35Å; Y774-K781 HydrophobicContact CD1-CB 4.27Å
782	I	73.9	Confident	69.9	Low	6 Å²	6	33.9 Å²	33.9	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.9	169.7	45.3	167.4	0	0	0	111.9	T775 I784 T787 I792 F797	T775-I782 PolarHBondContact N-O 2.83Å; T775-I782 PolarHBondContact O-N 2.89Å; I782-I784 HydrophobicContact CD1-CD1 3.59Å; I782-I784 HydrophobicContact CG1-CD1 3.7Å; I782-I784 PolarHBondContact O-N 3.22Å; I782-T787 HydrophobicContact CD1-CG2 4.46Å; I782-I792 HydrophobicContact CD1-CB 4.49Å; I782-I792 HydrophobicContact CD1-CG1 4.28Å; I782-F797 HydrophobicContact CG2-CZ 3.88Å
783	P	86.9	Confident	71.7	Confident	6 Å²	6	32.4 Å²	32.4	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	84.5	178.5	33.1	-33.6	0	0	0	110.2	D740 Y774 R785 W786 T787	D740-P783 WeakPolarHBondContact OD1-CG 3.25Å; Y774-P783 HydrophobicContact CD1-CB 4.18Å; Y774-P783 HydrophobicContact CE1-CB 3.79Å; Y774-P783 HydrophobicContact CE1-CG 4.06Å; P783-R785 VanDerWaalsContact C-N 3.25Å; P783-R785 PolarHBondContact O-N 2.66Å; P783-W786 HydrophobicContact CB-CE3 4.04Å; P783-W786 PolarHBondContact O-N 3Å; P783-T787 PolarHBondContact O-N 3.12Å; P783-T787 PolarHBondContact O-OG1 3.06Å
784	I	88.8	Confident	73.1	Confident	3 Å²	3	38 Å²	38	2%	0.015	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-40.7	-166.2	-65.1	-63	0	0	0	113.8	I782 W786 T787 I792 N826 V829 I830	I782-I784 HydrophobicContact CD1-CD1 3.59Å; I782-I784 HydrophobicContact CG1-CD1 3.7Å; I782-I784 PolarHBondContact O-N 3.22Å; I784-W786 VanDerWaalsContact C-N 3.3Å; I784-W786 PolarHBondContact O-N 3.2Å; I784-T787 PolarHBondContact O-N 2.83Å; I784-I792 HydrophobicContact CD1-CG1 4.4Å; I784-I792 HydrophobicContact CD1-CG2 4.45Å; I784-I792 HydrophobicContact CG2-CD1 4.4Å; I784-N826 HydrophobicContact CB-CB 4.09Å; I784-N826 HydrophobicContact CG1-CB 4.13Å; I784-N826 HydrophobicContact CG2-CB 4.08Å; I784-V829 HydrophobicContact CG2-CG1 4.33Å; I784-I830 HydrophobicContact CD1-CD1 4.26Å; I784-I830 HydrophobicContact CG2-CD1 4.16Å; I784-I830 HydrophobicContact CG2-CG1 3.76Å
785	R	93.3	Very high	74.4	Confident	6 Å²	6	39.2 Å²	39.2	2%	0.023	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.1	-174.3	-61.9	168.2	-174	-91.7	-7.4	114.7	P783 P820 Y821 W822 M824 N826 V829	P783-R785 VanDerWaalsContact C-N 3.25Å; P783-R785 PolarHBondContact O-N 2.66Å; R785-P820 HydrophobicContact CB-CB 4.34Å; R785-P820 WeakPolarHBondContact CD-O 3.34Å; R785-P820 PolarHBondContact NH1-O 3.06Å; R785-Y821 HydrophobicContact CB-CD2 4.3Å; R785-Y821 HydrophobicContact CG-CD2 4.48Å; R785-W822 PolarHBondContact NH1-O 3.31Å; R785-M824 PolarHBondContact NH1-O 3.06Å; R785-M824 PolarHBondContact NH2-O 3.31Å; R785-N826 PolarHBondContact NE-OD1 3.17Å; R785-N826 PolarHBondContact NH2-OD1 2.04Å; R785-V829 HydrophobicContact CG-CG2 4.43Å
786	W	94.8	Very high	75.6	Confident	19 Å²	19	42.3 Å²	42.3	7%	0.072	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15.1	177.8	-64	-99.5	0	0	0	112.1	A742 T773 P783 I784 W804 S805 I808 E812 P820	A742-W786 HydrophobicContact CB-CD2 4.18Å; A742-W786 HydrophobicContact CB-CG 4.01Å; T773-W786 HydrophobicContact CG2-CH2 4.15Å; T773-W786 HydrophobicContact CG2-CZ3 3.64Å; P783-W786 HydrophobicContact CB-CE3 4.04Å; P783-W786 PolarHBondContact O-N 3Å; I784-W786 VanDerWaalsContact C-N 3.3Å; I784-W786 PolarHBondContact O-N 3.2Å; W786-W804 VanDerWaalsContact O-CD1 3.32Å; W786-S805 WeakPolarHBondContact O-CA 3.46Å; W786-S805 PolarHBondContact O-OG 3.31Å; W786-I808 HydrophobicContact CG-CB 4.5Å; W786-I808 HydrophobicContact CG-CG2 4.01Å; W786-E812 WeakPolarHBondContact CZ2-OE1 3.1Å; W786-E812 PolarHBondContact NE1-OE1 3.07Å; W786-E812 PolarHBondContact NE1-OE2 3.25Å; W786-P820 HydrophobicContact CZ2-CG 3.82Å
787	T	92.1	Very high	77.5	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.025	22%	0.218	C	C	.	.	S	Bend	trans	-82.9	137.9	-170	-55	0	0	0	0	111.8	I782 P783 I784 A791 I792 F797 W804	I782-T787 HydrophobicContact CD1-CG2 4.46Å; P783-T787 PolarHBondContact O-N 3.12Å; P783-T787 PolarHBondContact O-OG1 3.06Å; I784-T787 PolarHBondContact O-N 2.83Å; T787-A791 HydrophobicContact CG2-CB 3.51Å; T787-I792 HydrophobicContact CG2-CG1 3.67Å; T787-I792 WeakPolarHBondContact O-CD1 3.44Å; T787-F797 HydrophobicContact CG2-CE1 4.46Å; T787-W804 PolarHBondContact O-NE1 3.38Å
788	A	93.8	Very high	79.8	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	22%	0.215	C	C	.	.			trans	-67.3	150.9	176.7	0	0	0	0	0	113	E790 A791 I792 W804	A788-E790 VanDerWaalsContact C-N 3.3Å; A788-E790 WeakPolarHBondContact CB-OE1 3.39Å; A788-E790 WeakPolarHBondContact CB-OE2 3.31Å; A788-E790 PolarHBondContact O-N 3.03Å; A788-A791 HydrophobicContact CB-CB 4.44Å; A788-A791 WeakPolarHBondContact O-CA 3.17Å; A788-A791 WeakPolarHBondContact O-CB 3.4Å; A788-A791 PolarHBondContact O-N 3.47Å; A788-I792 WeakPolarHBondContact O-CG1 3.18Å; A788-I792 PolarHBondContact O-N 3.29Å; A788-W804 HydrophobicContact CB-CB 3.78Å; A788-W804 HydrophobicContact CB-CD2 4.16Å; A788-W804 HydrophobicContact CB-CG 3.75Å
789	P	92	Very high	82.2	Confident	30 Å²	30	34.4 Å²	34.4	20%	0.195	18%	0.182	C	C	.	.	H	α-helix	trans	-53.5	-41.4	-178.5	-22.4	28.5	0	0	0	114.1	A791 I792 A793 W804 I833	P789-A791 VanDerWaalsContact C-N 3.32Å; P789-A791 PolarHBondContact O-N 2.96Å; P789-I792 PolarHBondContact O-N 3Å; P789-A793 VanDerWaalsContact O-CB 3.31Å; P789-A793 WeakPolarHBondContact O-CB 3.41Å; P789-A793 PolarHBondContact O-N 3.46Å; P789-W804 HydrophobicContact CG-CE3 4.37Å; P789-W804 HydrophobicContact CG-CH2 3.67Å; P789-W804 HydrophobicContact CG-CZ2 4.14Å; P789-W804 HydrophobicContact CG-CZ3 3.78Å; P789-I833 HydrophobicContact CB-CG2 4.35Å; P789-I833 HydrophobicContact CG-CG2 3.69Å
790	E	89.4	Confident	84.4	Confident	22 Å²	22	34.1 Å²	34.1	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-71.7	-25.9	179.4	72.4	-78.4	-171.6	0	0	113.6	A788 F794 R795 K796 R864	A788-E790 VanDerWaalsContact C-N 3.3Å; A788-E790 WeakPolarHBondContact CB-OE1 3.39Å; A788-E790 WeakPolarHBondContact CB-OE2 3.31Å; A788-E790 PolarHBondContact O-N 3.03Å; E790-F794 HydrophobicContact CB-CD2 4.29Å; E790-F794 CarbonylContact O-C 3.56Å; E790-F794 WeakPolarHBondContact O-CA 3.27Å; E790-F794 WeakPolarHBondContact O-CB 3.22Å; E790-F794 PolarHBondContact O-N 3.21Å; E790-R795 PolarHBondContact O-N 3.4Å; E790-K796 PolarHBondContact O-N 3.17Å; E790-R864 IonicContact OE1-CZ 3.54Å; E790-R864 IonicContact OE1-NH1 2.73Å; E790-R864 PolarHBondContact OE1-NH1 3.12Å; E790-R864 IonicContact OE1-NH2 3.96Å; E790-R864 PolarHBondContact OE1-NH2 2.02Å; E790-R864 IonicContact OE2-CZ 3.18Å; E790-R864 IonicContact OE2-NH1 3.71Å; E790-R864 PolarHBondContact OE2-NH1 3.13Å; E790-R864 IonicContact OE2-NH2 2.82Å; E790-R864 PolarHBondContact OE2-NH2 3.25Å
791	A	88.4	Confident	86.4	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-80.1	-34.4	174.4	0	0	0	0	0	110.9	T787 A788 P789 R795 F797	T787-A791 HydrophobicContact CG2-CB 3.51Å; A788-A791 HydrophobicContact CB-CB 4.44Å; A788-A791 WeakPolarHBondContact O-CA 3.17Å; A788-A791 WeakPolarHBondContact O-CB 3.4Å; A788-A791 PolarHBondContact O-N 3.47Å; P789-A791 VanDerWaalsContact C-N 3.32Å; P789-A791 PolarHBondContact O-N 2.96Å; A791-R795 VanDerWaalsContact O-CA 3.25Å; A791-R795 WeakPolarHBondContact O-CA 3.37Å; A791-R795 PolarHBondContact O-N 2.98Å; A791-R795 VanDerWaalsContact O-N 3.14Å; A791-F797 HydrophobicContact CB-CD1 3.99Å; A791-F797 HydrophobicContact CB-CE1 3.82Å; A791-F797 HydrophobicContact CB-CZ 4.22Å
792	I	85.8	Confident	87.8	Confident	23 Å²	23	31.8 Å²	31.8	12%	0.118	17%	0.167	C	C	.	.	H	α-helix	trans	-65.5	-53.3	171.3	-63.9	171.6	0	0	0	110.3	I782 I784 T787 A788 P789 I830	I782-I792 HydrophobicContact CD1-CB 4.49Å; I782-I792 HydrophobicContact CD1-CG1 4.28Å; I784-I792 HydrophobicContact CD1-CG1 4.4Å; I784-I792 HydrophobicContact CD1-CG2 4.45Å; I784-I792 HydrophobicContact CG2-CD1 4.4Å; T787-I792 HydrophobicContact CG2-CG1 3.67Å; T787-I792 WeakPolarHBondContact O-CD1 3.44Å; A788-I792 WeakPolarHBondContact O-CG1 3.18Å; A788-I792 PolarHBondContact O-N 3.29Å; P789-I792 PolarHBondContact O-N 3Å; I792-I830 HydrophobicContact CG2-CD1 4.24Å; I792-I830 HydrophobicContact CG2-CG1 4.19Å
793	A	82	Confident	89	Confident	62 Å²	62	31.6 Å²	31.6	51%	0.512	17%	0.166	S	C	.	.	H	α-helix	trans	-77.9	-39.1	-171.4	0	0	0	0	0	113.6	P789	P789-A793 VanDerWaalsContact O-CB 3.31Å; P789-A793 WeakPolarHBondContact O-CB 3.41Å; P789-A793 PolarHBondContact O-N 3.46Å
794	F	78.1	Confident	89.5	Confident	144 Å²	144	31.3 Å²	31.3	63%	0.632	17%	0.165	S	C	*	.	H	α-helix	trans	-123.9	4.1	-169.6	-48.7	-66.4	0	0	0	114.1	E790 K796	E790-F794 HydrophobicContact CB-CD2 4.29Å; E790-F794 CarbonylContact O-C 3.56Å; E790-F794 WeakPolarHBondContact O-CA 3.27Å; E790-F794 WeakPolarHBondContact O-CB 3.22Å; E790-F794 PolarHBondContact O-N 3.21Å; F794-K796 HydrophobicContact CB-CD 4.19Å; F794-K796 HydrophobicContact CB-CG 4.08Å; F794-K796 PolarHBondContact O-N 3.4Å; F794-K796 VanDerWaalsContact O-N 3.14Å
795	R	77.6	Confident	90	Very high	67 Å²	67	31.4 Å²	31.4	25%	0.253	17%	0.166	S	C	.	.			trans	54.9	29.5	-176.6	-56.8	-61.7	-171.7	144.8	-1.3	113.8	S777 G780 E790 A791 F797	S777-R795 PolarHBondContact O-NH2 3.16Å; S777-R795 PolarHBondContact OG-NH2 3.19Å; G780-R795 PolarHBondContact O-NH1 3.1Å; G780-R795 PolarHBondContact O-NH2 2.78Å; E790-R795 PolarHBondContact O-N 3.4Å; A791-R795 VanDerWaalsContact O-CA 3.25Å; A791-R795 WeakPolarHBondContact O-CA 3.37Å; A791-R795 PolarHBondContact O-N 2.98Å; A791-R795 VanDerWaalsContact O-N 3.14Å; R795-F797 WeakPolarHBondContact O-CD2 3.19Å; R795-F797 PolarHBondContact O-N 2.91Å
796	K	76.8	Confident	90.2	Very high	120 Å²	120	31.1 Å²	31.1	52%	0.522	16%	0.164	S	C	.	.			trans	-93.1	94.7	179.4	-71.9	-177.9	-179.2	175.3	0	111.1	E790 F794	E790-K796 PolarHBondContact O-N 3.17Å; F794-K796 HydrophobicContact CB-CD 4.19Å; F794-K796 HydrophobicContact CB-CG 4.08Å; F794-K796 PolarHBondContact O-N 3.4Å; F794-K796 VanDerWaalsContact O-N 3.14Å
797	F	85.8	Confident	90.4	Very high	44 Å²	44	30.2 Å²	30.2	19%	0.193	16%	0.161	C	C	.	.			trans	-88.3	130.7	175.2	-62	-86.8	0	0	0	111.4	V737 R739 I782 T787 A791 R795	V737-F797 HydrophobicContact CG1-CB 4.13Å; R739-F797 HydrophobicContact CB-CD1 3.87Å; R739-F797 HydrophobicContact CB-CE1 4.15Å; R739-F797 HydrophobicContact CB-CG 4.49Å; R739-F797 HydrophobicContact CG-CB 4.04Å; R739-F797 HydrophobicContact CG-CD1 3.81Å; R739-F797 HydrophobicContact CG-CG 3.98Å; I782-F797 HydrophobicContact CG2-CZ 3.88Å; T787-F797 HydrophobicContact CG2-CE1 4.46Å; A791-F797 HydrophobicContact CB-CD1 3.99Å; A791-F797 HydrophobicContact CB-CE1 3.82Å; A791-F797 HydrophobicContact CB-CZ 4.22Å; R795-F797 WeakPolarHBondContact O-CD2 3.19Å; R795-F797 PolarHBondContact O-N 2.91Å
798	T	88.6	Confident	90.7	Very high	39 Å²	39	30 Å²	30	24%	0.239	16%	0.16	C	C	.	.			trans	-148.1	169.3	179.3	62.2	0	0	0	0	110.3	A800 S801 D802	T798-A800 PolarHBondContact O-N 3.34Å; T798-A800 PolarHBondContact OG1-N 3.04Å; T798-S801 PolarHBondContact N-OG 3.39Å; T798-S801 PolarHBondContact O-N 2.76Å; T798-S801 PolarHBondContact O-OG 2.91Å; T798-S801 PolarHBondContact OG1-N 3.49Å; T798-D802 PolarHBondContact O-N 3.43Å
799	S	92.2	Very high	90.9	Very high	43 Å²	43	30 Å²	30	30%	0.301	16%	0.159	S	C	.	.	H	α-helix	trans	-57.7	-22.8	172	-44.1	0	0	0	0	112.9	A803	S799-A803 PolarHBondContact O-N 3.22Å
800	A	94.1	Very high	91.2	Very high	24 Å²	24	28.6 Å²	28.6	20%	0.198	15%	0.15	C	C	.	.	H	α-helix	trans	-76.8	-26.9	173.8	0	0	0	0	0	113.6	T798 A803 W804 R861 R864	T798-A800 PolarHBondContact O-N 3.34Å; T798-A800 PolarHBondContact OG1-N 3.04Å; A800-A803 PolarHBondContact O-N 2.81Å; A800-W804 PolarHBondContact O-N 3.31Å; A800-R861 HydrophobicContact CB-CB 4.04Å; A800-R864 WeakPolarHBondContact O-CD 3.31Å; A800-R864 PolarHBondContact O-NH1 3.17Å
801	S	94.5	Very high	91.6	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-74.8	-32.7	170.4	62.6	0	0	0	0	111.2	T798 A803 W804 S805	T798-S801 PolarHBondContact N-OG 3.39Å; T798-S801 PolarHBondContact O-N 2.76Å; T798-S801 PolarHBondContact O-OG 2.91Å; T798-S801 PolarHBondContact OG1-N 3.49Å; S801-A803 VanDerWaalsContact C-N 3.32Å; S801-W804 WeakPolarHBondContact O-CB 3.25Å; S801-W804 PolarHBondContact O-N 2.87Å; S801-S805 PolarHBondContact O-N 2.88Å; S801-S805 VanDerWaalsContact O-N 3.13Å; S801-S805 PolarHBondContact O-OG 2.75Å
802	D	95.8	Very high	92	Very high	2 Å²	2	28 Å²	28	1%	0.011	15%	0.148	C	C	.	.	H	α-helix	trans	-67.4	-33.8	169.8	-72.6	-14.6	0	0	0	111.6	M728 V737 H738 R739 T798 W804 S805 Y806 F867	M728-D802 HydrophobicContact CE-CB 3.74Å; V737-D802 WeakPolarHBondContact CA-OD2 3.3Å; V737-D802 WeakPolarHBondContact CG1-OD2 3.5Å; H738-D802 PolarHBondContact N-OD2 3.41Å; R739-D802 PolarHBondContact N-OD1 2.69Å; T798-D802 PolarHBondContact O-N 3.43Å; D802-W804 VanDerWaalsContact C-N 3.31Å; D802-W804 PolarHBondContact O-N 3.29Å; D802-S805 WeakPolarHBondContact O-CB 3.08Å; D802-S805 PolarHBondContact O-N 3.12Å; D802-Y806 WeakPolarHBondContact O-CB 3.42Å; D802-Y806 PolarHBondContact O-N 2.91Å; D802-F867 HydrophobicContact CB-CE2 3.99Å; D802-F867 HydrophobicContact CB-CZ 3.96Å
803	A	98.3	Very high	92.5	Very high	2 Å²	2	27 Å²	27	2%	0.017	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-35.6	173.9	0	0	0	0	0	112.6	S799 A800 S801 G807 C856 F867	S799-A803 PolarHBondContact O-N 3.22Å; A800-A803 PolarHBondContact O-N 2.81Å; S801-A803 VanDerWaalsContact C-N 3.32Å; A803-G807 PolarHBondContact O-N 3.01Å; A803-G807 VanDerWaalsContact O-N 3.11Å; A803-C856 WeakPolarHBondContact O-CB 3.48Å; A803-C856 PolarHBondContact O-SG 3.05Å; A803-C856 VanDerWaalsContact O-SG 3.37Å; A803-F867 HydrophobicContact CB-CZ 4.41Å
804	W	98.2	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-47.5	170.8	174.9	-74	0	0	0	111.4	W786 T787 A788 P789 A800 S801 D802 Y806 G807 I808 I833 W857	W786-W804 VanDerWaalsContact O-CD1 3.32Å; T787-W804 PolarHBondContact O-NE1 3.38Å; A788-W804 HydrophobicContact CB-CB 3.78Å; A788-W804 HydrophobicContact CB-CD2 4.16Å; A788-W804 HydrophobicContact CB-CG 3.75Å; P789-W804 HydrophobicContact CG-CE3 4.37Å; P789-W804 HydrophobicContact CG-CH2 3.67Å; P789-W804 HydrophobicContact CG-CZ2 4.14Å; P789-W804 HydrophobicContact CG-CZ3 3.78Å; A800-W804 PolarHBondContact O-N 3.31Å; S801-W804 WeakPolarHBondContact O-CB 3.25Å; S801-W804 PolarHBondContact O-N 2.87Å; D802-W804 VanDerWaalsContact C-N 3.31Å; D802-W804 PolarHBondContact O-N 3.29Å; W804-Y806 VanDerWaalsContact C-N 3.28Å; W804-Y806 PolarHBondContact O-N 3.33Å; W804-G807 WeakPolarHBondContact O-CA 3.39Å; W804-G807 PolarHBondContact O-N 3.02Å; W804-I808 PolarHBondContact O-N 3.44Å; W804-I833 HydrophobicContact CH2-CG2 3.99Å; W804-I833 HydrophobicContact CZ2-CD1 4.26Å; W804-I833 HydrophobicContact CZ2-CG1 4.44Å; W804-I833 HydrophobicContact CZ2-CG2 4.06Å; W804-W857 AromaticContact CD2-CD1 3.77Å; W804-W857 AromaticContact CE2-CD1 3.87Å; W804-W857 HydrophobicContact CE3-CB 4.14Å; W804-W857 HydrophobicContact CH2-CB 4.17Å; W804-W857 VanDerWaalsContact CZ3-C 3.49Å; W804-W857 HydrophobicContact CZ3-CB 3.92Å; W804-W857 VanDerWaalsContact CZ3-O 3.23Å; W804-W857 WeakPolarHBondContact CZ3-O 3.34Å; W804-W857 PolarHBondContact O-NE1 2.69Å
805	S	97.8	Very high	93.7	Very high	5 Å²	5	18.1 Å²	18.1	4%	0.035	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-40.8	178.5	-49.7	0	0	0	0	110.9	L741 W786 S801 D802 G807 I808 V809	L741-S805 WeakPolarHBondContact O-CB 3.38Å; W786-S805 WeakPolarHBondContact O-CA 3.46Å; W786-S805 PolarHBondContact O-OG 3.31Å; S801-S805 PolarHBondContact O-N 2.88Å; S801-S805 VanDerWaalsContact O-N 3.13Å; S801-S805 PolarHBondContact O-OG 2.75Å; D802-S805 WeakPolarHBondContact O-CB 3.08Å; D802-S805 PolarHBondContact O-N 3.12Å; S805-G807 VanDerWaalsContact C-N 3.28Å; S805-G807 PolarHBondContact O-N 3.05Å; S805-I808 WeakPolarHBondContact O-CA 3.24Å; S805-I808 WeakPolarHBondContact O-CB 3.17Å; S805-I808 PolarHBondContact O-N 3.14Å; S805-V809 PolarHBondContact O-N 3.41Å
806	Y	98.6	Very high	94.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-35.5	172.6	-178.4	-96	0	0	0	112.4	L721 I724 A725 L741 D802 W804 I808 V809 M810 F867 V870 L874	L721-Y806 PolarHBondContact O-OH 3.17Å; I724-Y806 HydrophobicContact CB-CE2 4.06Å; I724-Y806 HydrophobicContact CG2-CD2 3.96Å; I724-Y806 HydrophobicContact CG2-CE2 3.78Å; A725-Y806 HydrophobicContact CB-CE1 4.49Å; A725-Y806 HydrophobicContact CB-CE2 3.92Å; L741-Y806 HydrophobicContact CD2-CD2 4.26Å; D802-Y806 WeakPolarHBondContact O-CB 3.42Å; D802-Y806 PolarHBondContact O-N 2.91Å; W804-Y806 VanDerWaalsContact C-N 3.28Å; W804-Y806 PolarHBondContact O-N 3.33Å; Y806-I808 VanDerWaalsContact C-N 3.3Å; Y806-I808 PolarHBondContact O-N 3.15Å; Y806-V809 PolarHBondContact O-N 3.27Å; Y806-M810 HydrophobicContact CD1-CE 3.72Å; Y806-M810 HydrophobicContact CD1-CG 4.1Å; Y806-M810 HydrophobicContact CD1-SD 4.09Å; Y806-M810 HydrophobicContact CE1-CE 3.67Å; Y806-M810 HydrophobicContact CE1-CG 3.54Å; Y806-M810 HydrophobicContact CE1-SD 3.41Å; Y806-M810 WeakPolarHBondContact CE1-SD 3.44Å; Y806-M810 WeakPolarHBondContact O-CG 3.07Å; Y806-M810 PolarHBondContact O-N 3.41Å; Y806-F867 HydrophobicContact CD2-CE1 4.24Å; Y806-F867 AromaticContact CG-CE1 3.95Å; Y806-F867 HydrophobicContact CG-CE1 3.95Å; Y806-V870 HydrophobicContact CD1-CG1 3.92Å; Y806-V870 HydrophobicContact CE1-CG1 3.31Å; Y806-L874 WeakPolarHBondContact OH-CD1 3.17Å
807	G	98.3	Very high	94.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-55.6	-44.1	169.3	0	0	0	0	0	113	A803 W804 S805 M810 W811 W857	A803-G807 PolarHBondContact O-N 3.01Å; A803-G807 VanDerWaalsContact O-N 3.11Å; W804-G807 WeakPolarHBondContact O-CA 3.39Å; W804-G807 PolarHBondContact O-N 3.02Å; S805-G807 VanDerWaalsContact C-N 3.28Å; S805-G807 PolarHBondContact O-N 3.05Å; G807-M810 WeakPolarHBondContact O-CB 3.49Å; G807-M810 PolarHBondContact O-N 3Å; G807-W811 PolarHBondContact O-N 3.28Å; G807-W857 VanDerWaalsContact C-CZ2 3.43Å; G807-W857 WeakPolarHBondContact O-CZ2 3.37Å
808	I	98.2	Very high	94.9	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.8	-40.7	175.9	-55.7	-69	0	0	0	110.8	W786 W804 S805 Y806 M810 W811 E812 P820 Y821 L839 W857	W786-I808 HydrophobicContact CG-CB 4.5Å; W786-I808 HydrophobicContact CG-CG2 4.01Å; W804-I808 PolarHBondContact O-N 3.44Å; S805-I808 WeakPolarHBondContact O-CA 3.24Å; S805-I808 WeakPolarHBondContact O-CB 3.17Å; S805-I808 PolarHBondContact O-N 3.14Å; Y806-I808 VanDerWaalsContact C-N 3.3Å; Y806-I808 PolarHBondContact O-N 3.15Å; I808-M810 VanDerWaalsContact C-N 3.32Å; I808-M810 PolarHBondContact O-N 2.73Å; I808-W811 CarbonylContact O-C 3.48Å; I808-W811 WeakPolarHBondContact O-CA 3.24Å; I808-W811 WeakPolarHBondContact O-CB 3.15Å; I808-W811 PolarHBondContact O-N 3.19Å; I808-E812 HydrophobicContact CG2-CG 4.46Å; I808-E812 WeakPolarHBondContact O-CG 3.03Å; I808-E812 PolarHBondContact O-N 2.99Å; I808-P820 HydrophobicContact CG2-CB 3.81Å; I808-P820 HydrophobicContact CG2-CG 3.55Å; I808-Y821 HydrophobicContact CD1-CE2 4.15Å; I808-L839 HydrophobicContact CD1-CD1 3.86Å; I808-W857 HydrophobicContact CD1-CZ2 3.71Å; I808-W857 HydrophobicContact CG1-CZ2 4.43Å
809	V	98.4	Very high	94.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.5	-40.9	174	176	0	0	0	0	111.7	I724 L741 S805 Y806 W811 E812 V813	I724-V809 HydrophobicContact CD1-CG1 4.03Å; L741-V809 HydrophobicContact CG-CG2 4.19Å; S805-V809 PolarHBondContact O-N 3.41Å; Y806-V809 PolarHBondContact O-N 3.27Å; V809-W811 VanDerWaalsContact C-N 3.25Å; V809-W811 PolarHBondContact O-N 2.97Å; V809-E812 PolarHBondContact O-N 3.14Å; V809-V813 HydrophobicContact CG1-CG2 4.27Å; V809-V813 VanDerWaalsContact O-CG2 3.31Å; V809-V813 WeakPolarHBondContact O-CG2 3.5Å; V809-V813 PolarHBondContact O-N 2.83Å
810	M	98.3	Very high	94.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-57.8	-41.4	173.2	-73.4	-170.5	-72.5	0	0	111.6	L721 Y806 G807 I808 M814 L849 L852 M853 C856	L721-M810 HydrophobicContact CD1-CB 4.34Å; L721-M810 HydrophobicContact CD1-CG 4.03Å; L721-M810 HydrophobicContact CD2-CB 4.32Å; L721-M810 HydrophobicContact CD2-CG 3.87Å; L721-M810 HydrophobicContact CG-CG 4.47Å; Y806-M810 HydrophobicContact CD1-CE 3.72Å; Y806-M810 HydrophobicContact CD1-CG 4.1Å; Y806-M810 HydrophobicContact CD1-SD 4.09Å; Y806-M810 HydrophobicContact CE1-CE 3.67Å; Y806-M810 HydrophobicContact CE1-CG 3.54Å; Y806-M810 HydrophobicContact CE1-SD 3.41Å; Y806-M810 WeakPolarHBondContact CE1-SD 3.44Å; Y806-M810 WeakPolarHBondContact O-CG 3.07Å; Y806-M810 PolarHBondContact O-N 3.41Å; G807-M810 WeakPolarHBondContact O-CB 3.49Å; G807-M810 PolarHBondContact O-N 3Å; I808-M810 VanDerWaalsContact C-N 3.32Å; I808-M810 PolarHBondContact O-N 2.73Å; M810-M814 VanDerWaalsContact O-CG 3.31Å; M810-M814 WeakPolarHBondContact O-CG 3.35Å; M810-M814 PolarHBondContact O-N 3.1Å; M810-M814 VanDerWaalsContact O-N 3.15Å; M810-L849 HydrophobicContact SD-CD1 4.36Å; M810-L852 HydrophobicContact CE-CG 4.13Å; M810-L852 HydrophobicContact SD-CD2 3.97Å; M810-L852 HydrophobicContact SD-CG 4.09Å; M810-M853 HydrophobicContact CB-CE 3.96Å; M810-M853 HydrophobicContact CB-CG 3.78Å; M810-M853 HydrophobicContact CB-SD 4.39Å; M810-M853 HydrophobicContact CE-CB 4.4Å; M810-M853 HydrophobicContact CE-CG 4.04Å; M810-M853 WeakPolarHBondContact O-CE 3.07Å; M810-M853 HydrophobicContact SD-CG 4.39Å; M810-C856 HydrophobicContact CE-CB 4.24Å
811	W	97.1	Very high	94.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.015	6%	0.06	C	C	.	.	H	α-helix	trans	-65.8	-47.3	175.5	-171.6	93.3	0	0	0	111.9	G807 I808 V809 V813 M814 S815 E818 P820 W822 L839 P840 P842 M853 W857	G807-W811 PolarHBondContact O-N 3.28Å; I808-W811 CarbonylContact O-C 3.48Å; I808-W811 WeakPolarHBondContact O-CA 3.24Å; I808-W811 WeakPolarHBondContact O-CB 3.15Å; I808-W811 PolarHBondContact O-N 3.19Å; V809-W811 VanDerWaalsContact C-N 3.25Å; V809-W811 PolarHBondContact O-N 2.97Å; W811-V813 VanDerWaalsContact C-N 3.32Å; W811-V813 PolarHBondContact O-N 3.43Å; W811-M814 PolarHBondContact O-N 2.78Å; W811-S815 WeakPolarHBondContact CZ3-OG 3.05Å; W811-S815 WeakPolarHBondContact O-CB 3.06Å; W811-S815 PolarHBondContact O-N 3.4Å; W811-S815 PolarHBondContact O-OG 2.85Å; W811-E818 HydrophobicContact CH2-CB 3.79Å; W811-E818 HydrophobicContact CZ3-CB 3.87Å; W811-P820 HydrophobicContact CE3-CG 4.42Å; W811-P820 HydrophobicContact CZ3-CG 4.45Å; W811-W822 HydrophobicContact CZ2-CZ2 4.39Å; W811-L839 HydrophobicContact CB-CD1 4.44Å; W811-L839 HydrophobicContact CD2-CD1 3.85Å; W811-L839 HydrophobicContact CE3-CD1 4.26Å; W811-L839 HydrophobicContact CG-CB 4.3Å; W811-L839 HydrophobicContact CG-CD1 3.91Å; W811-P840 PolarHBondContact NE1-O 3.35Å; W811-P842 HydrophobicContact CD2-CG 4.4Å; W811-P842 HydrophobicContact CG-CG 4.2Å; W811-M853 HydrophobicContact CB-SD 4.14Å; W811-W857 HydrophobicContact CB-CH2 4.06Å; W811-W857 HydrophobicContact CB-CZ2 4.14Å; W811-W857 HydrophobicContact CG-CH2 4.37Å
812	E	97.1	Very high	93.8	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-57	-43.2	176.7	-70.3	179.5	113.8	0	0	111.9	A743 W786 I808 V809 S815 F816 G817 P820	A743-E812 HydrophobicContact CB-CB 3.99Å; A743-E812 HydrophobicContact CB-CG 4.46Å; A743-E812 WeakPolarHBondContact CB-OE2 3.39Å; A743-E812 PolarHBondContact N-OE2 3.34Å; W786-E812 WeakPolarHBondContact CZ2-OE1 3.1Å; W786-E812 PolarHBondContact NE1-OE1 3.07Å; W786-E812 PolarHBondContact NE1-OE2 3.25Å; I808-E812 HydrophobicContact CG2-CG 4.46Å; I808-E812 WeakPolarHBondContact O-CG 3.03Å; I808-E812 PolarHBondContact O-N 2.99Å; V809-E812 PolarHBondContact O-N 3.14Å; E812-S815 WeakPolarHBondContact CA-OG 3.32Å; E812-S815 CarbonylContact O-C 3.37Å; E812-S815 PolarHBondContact O-N 2.86Å; E812-S815 PolarHBondContact O-OG 3.48Å; E812-F816 PolarHBondContact O-N 3.05Å; E812-F816 VanDerWaalsContact O-N 3.16Å; E812-G817 PolarHBondContact O-N 3.2Å; E812-P820 HydrophobicContact CG-CG 3.78Å
813	V	96.6	Very high	93.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-43.2	178.7	174.2	0	0	0	0	111.5	L701 L705 L717 L721 V809 W811 S815 F816	L701-V813 HydrophobicContact CD2-CG2 3.84Å; L705-V813 HydrophobicContact CD1-CB 4.3Å; L705-V813 HydrophobicContact CD1-CG2 4.06Å; L717-V813 HydrophobicContact CB-CG1 3.97Å; L717-V813 HydrophobicContact CD2-CG1 3.91Å; L717-V813 HydrophobicContact CG-CG1 4.43Å; L721-V813 HydrophobicContact CD1-CG1 4.39Å; L721-V813 HydrophobicContact CD2-CB 3.8Å; L721-V813 HydrophobicContact CD2-CG1 4.14Å; L721-V813 HydrophobicContact CD2-CG2 3.61Å; L721-V813 HydrophobicContact CG-CB 4.22Å; L721-V813 HydrophobicContact CG-CG1 4.04Å; L721-V813 HydrophobicContact CG-CG2 4.39Å; V809-V813 HydrophobicContact CG1-CG2 4.27Å; V809-V813 VanDerWaalsContact O-CG2 3.31Å; V809-V813 WeakPolarHBondContact O-CG2 3.5Å; V809-V813 PolarHBondContact O-N 2.83Å; W811-V813 VanDerWaalsContact C-N 3.32Å; W811-V813 PolarHBondContact O-N 3.43Å; V813-S815 VanDerWaalsContact C-N 3.33Å; V813-F816 PolarHBondContact O-N 2.86Å
814	M	94.1	Very high	92.1	Very high	9 Å²	9	27 Å²	27	4%	0.044	13%	0.125	C	C	.	.	H	α-helix	trans	-75.4	-21.7	-179.5	-67.6	-55.1	-58	0	0	113.5	V714 L717 M810 W811 P842 C845 L849 M853	V714-M814 HydrophobicContact CG1-CE 4.41Å; L717-M814 HydrophobicContact CB-SD 4.12Å; L717-M814 HydrophobicContact CD1-CE 4.38Å; L717-M814 HydrophobicContact CD1-SD 3.97Å; M810-M814 VanDerWaalsContact O-CG 3.31Å; M810-M814 WeakPolarHBondContact O-CG 3.35Å; M810-M814 PolarHBondContact O-N 3.1Å; M810-M814 VanDerWaalsContact O-N 3.15Å; W811-M814 PolarHBondContact O-N 2.78Å; M814-P842 HydrophobicContact CB-CB 4.26Å; M814-P842 HydrophobicContact CB-CG 3.93Å; M814-C845 HydrophobicContact CE-CB 4.33Å; M814-L849 HydrophobicContact CE-CD2 4.1Å; M814-L849 HydrophobicContact CG-CD2 3.48Å; M814-L849 VanDerWaalsContact CG-CD2 3.48Å; M814-L849 HydrophobicContact SD-CD2 3.39Å; M814-L849 WeakPolarHBondContact SD-CD2 3.03Å; M814-M853 HydrophobicContact CB-CE 4.18Å; M814-M853 HydrophobicContact CG-CE 3.79Å
815	S	90.9	Very high	91.1	Very high	11 Å²	11	29.5 Å²	29.5	8%	0.077	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	10.8	173	66.7	0	0	0	0	113.3	W811 E812 V813 G817 E818	W811-S815 WeakPolarHBondContact CZ3-OG 3.05Å; W811-S815 WeakPolarHBondContact O-CB 3.06Å; W811-S815 PolarHBondContact O-N 3.4Å; W811-S815 PolarHBondContact O-OG 2.85Å; E812-S815 WeakPolarHBondContact CA-OG 3.32Å; E812-S815 CarbonylContact O-C 3.37Å; E812-S815 PolarHBondContact O-N 2.86Å; E812-S815 PolarHBondContact O-OG 3.48Å; V813-S815 VanDerWaalsContact C-N 3.33Å; S815-G817 VanDerWaalsContact C-N 3.26Å; S815-G817 PolarHBondContact O-N 2.76Å; S815-E818 PolarHBondContact O-N 2.88Å
816	F	90.7	Very high	90.4	Very high	28 Å²	28	30.1 Å²	30.1	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.5	-178.6	-73.4	-97.7	0	0	0	114	L705 R706 N708 D709 F712 L717 E812 V813	L705-F816 CarbonylContact C-O 3.45Å; L705-F816 HydrophobicContact CD2-CD1 4.27Å; R706-F816 WeakPolarHBondContact CA-O 3.21Å; R706-F816 WeakPolarHBondContact CG-O 3.41Å; R706-F816 PolarHBondContact N-O 3.13Å; N708-F816 WeakPolarHBondContact O-CE1 3.43Å; D709-F816 HydrophobicContact CB-CB 4.36Å; D709-F816 HydrophobicContact CB-CD1 4.49Å; D709-F816 WeakPolarHBondContact OD1-CB 3.2Å; D709-F816 WeakPolarHBondContact OD1-CG 3.43Å; F712-F816 HydrophobicContact CB-CE1 4.31Å; F712-F816 HydrophobicContact CB-CZ 4.39Å; F712-F816 AromaticContact CD2-CE1 3.79Å; F712-F816 HydrophobicContact CD2-CE1 3.79Å; L717-F816 HydrophobicContact CD1-CE2 3.97Å; L717-F816 HydrophobicContact CD1-CZ 3.91Å; L717-F816 HydrophobicContact CD2-CZ 4.47Å; E812-F816 PolarHBondContact O-N 3.05Å; E812-F816 VanDerWaalsContact O-N 3.16Å; V813-F816 PolarHBondContact O-N 2.86Å
817	G	88.9	Confident	89.6	Confident	3 Å²	3	35.3 Å²	35.3	3%	0.031	17%	0.17	C	C	.	.	S	Bend	trans	83.7	25	173.8	0	0	0	0	0	114.5	R706 E812 S815	R706-G817 WeakPolarHBondContact CD-O 3.49Å; R706-G817 PolarHBondContact NH1-O 3.06Å; E812-G817 PolarHBondContact O-N 3.2Å; S815-G817 VanDerWaalsContact C-N 3.26Å; S815-G817 PolarHBondContact O-N 2.76Å
818	E	86.9	Confident	88.7	Confident	92 Å²	92	39 Å²	39	43%	0.43	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-60.5	153.6	167.3	-77.4	-168.5	-178.1	0	0	111.7	W811 S815 P820 W822	W811-E818 HydrophobicContact CH2-CB 3.79Å; W811-E818 HydrophobicContact CZ3-CB 3.87Å; S815-E818 PolarHBondContact O-N 2.88Å; E818-P820 WeakPolarHBondContact O-CD 3.37Å; E818-W822 PolarHBondContact OE2-NE1 3.13Å
819	R	85.6	Confident	87.9	Confident	110 Å²	110	39 Å²	39	42%	0.415	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-71.7	121	177	-178.6	177.1	172.2	122.6	-0.8	110.7	Y821 W822	R819-Y821 PolarHBondContact O-N 3.21Å; R819-W822 WeakPolarHBondContact CD-O 3.35Å; R819-W822 PolarHBondContact NE-O 2.76Å; R819-W822 VanDerWaalsContact NE-O 3.12Å; R819-W822 WeakPolarHBondContact O-CA 3.22Å; R819-W822 PolarHBondContact O-N 3.14Å
820	P	89.6	Confident	87.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	134.7	177	-25.4	35.2	0	0	0	111.9	R785 W786 I808 W811 E812 E818 W822 L839	R785-P820 HydrophobicContact CB-CB 4.34Å; R785-P820 WeakPolarHBondContact CD-O 3.34Å; R785-P820 PolarHBondContact NH1-O 3.06Å; W786-P820 HydrophobicContact CZ2-CG 3.82Å; I808-P820 HydrophobicContact CG2-CB 3.81Å; I808-P820 HydrophobicContact CG2-CG 3.55Å; W811-P820 HydrophobicContact CE3-CG 4.42Å; W811-P820 HydrophobicContact CZ3-CG 4.45Å; E812-P820 HydrophobicContact CG-CG 3.78Å; E818-P820 WeakPolarHBondContact O-CD 3.37Å; P820-W822 PolarHBondContact O-N 2.83Å; P820-W822 VanDerWaalsContact O-N 3.17Å; P820-L839 HydrophobicContact CB-CD1 4.24Å
821	Y	84.1	Confident	86.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	18.7	-174.2	-54.1	-87.5	0	0	0	114.5	R785 I808 R819 D823 M824 V829 I833 Y837 L839	R785-Y821 HydrophobicContact CB-CD2 4.3Å; R785-Y821 HydrophobicContact CG-CD2 4.48Å; I808-Y821 HydrophobicContact CD1-CE2 4.15Å; R819-Y821 PolarHBondContact O-N 3.21Å; Y821-D823 PolarHBondContact O-N 3.18Å; Y821-M824 HydrophobicContact CD1-SD 4.24Å; Y821-M824 VanDerWaalsContact O-CB 3.3Å; Y821-M824 WeakPolarHBondContact O-CB 3.09Å; Y821-M824 VanDerWaalsContact O-CG 3.31Å; Y821-M824 WeakPolarHBondContact O-CG 3.06Å; Y821-M824 PolarHBondContact O-N 3.48Å; Y821-M824 VanDerWaalsContact O-N 3.15Å; Y821-V829 HydrophobicContact CD1-CG1 4.36Å; Y821-V829 HydrophobicContact CD1-CG2 4.42Å; Y821-V829 HydrophobicContact CD2-CG1 3.77Å; Y821-V829 HydrophobicContact CD2-CG2 4.22Å; Y821-V829 HydrophobicContact CE2-CG1 3.94Å; Y821-V829 HydrophobicContact CG-CG1 4Å; Y821-V829 HydrophobicContact CG-CG2 3.84Å; Y821-I833 HydrophobicContact CE1-CG1 4.44Å; Y821-I833 HydrophobicContact CE2-CD1 4.47Å; Y821-Y837 HydrophobicContact CD1-CD1 4.36Å; Y821-Y837 HydrophobicContact CD1-CE1 4.15Å; Y821-Y837 HydrophobicContact CE1-CD1 4.03Å; Y821-Y837 HydrophobicContact CE1-CE1 4.14Å; Y821-L839 HydrophobicContact CD1-CD2 3.71Å; Y821-L839 HydrophobicContact CD1-CG 4.24Å; Y821-L839 HydrophobicContact CD2-CD1 4.41Å; Y821-L839 HydrophobicContact CD2-CD2 4.33Å; Y821-L839 HydrophobicContact CE1-CD2 3.92Å; Y821-L839 HydrophobicContact CE1-CG 3.94Å; Y821-L839 HydrophobicContact CE2-CD1 4.13Å; Y821-L839 HydrophobicContact CE2-CG 4.26Å; Y821-L839 HydrophobicContact CG-CD2 3.92Å
822	W	87.1	Confident	85.5	Confident	97 Å²	97	43.5 Å²	43.5	37%	0.367	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-127.1	173.8	-49.2	-68.8	0	0	0	113.1	R785 W811 E818 R819 P820 P840	R785-W822 PolarHBondContact NH1-O 3.31Å; W811-W822 HydrophobicContact CZ2-CZ2 4.39Å; E818-W822 PolarHBondContact OE2-NE1 3.13Å; R819-W822 WeakPolarHBondContact CD-O 3.35Å; R819-W822 PolarHBondContact NE-O 2.76Å; R819-W822 VanDerWaalsContact NE-O 3.12Å; R819-W822 WeakPolarHBondContact O-CA 3.22Å; R819-W822 PolarHBondContact O-N 3.14Å; P820-W822 PolarHBondContact O-N 2.83Å; P820-W822 VanDerWaalsContact O-N 3.17Å; W822-P840 HydrophobicContact CH2-CG 3.81Å; W822-P840 HydrophobicContact CZ2-CG 4.35Å
823	D	80.2	Confident	85.1	Confident	147 Å²	147	43.4 Å²	43.4	79%	0.786	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.4	-175.3	-59.3	-35.4	0	0	0	113.7	Y821 S825	Y821-D823 PolarHBondContact O-N 3.18Å; D823-S825 PolarHBondContact O-N 2.89Å
824	M	77.8	Confident	84.5	Confident	52 Å²	52	49.1 Å²	49.1	26%	0.256	24%	0.241	S	C	.	.			trans	-55.6	139.5	174.5	-68.5	177.3	64.9	0	0	110	R785 Y821 D828 V829 A832	R785-M824 PolarHBondContact NH1-O 3.06Å; R785-M824 PolarHBondContact NH2-O 3.31Å; Y821-M824 HydrophobicContact CD1-SD 4.24Å; Y821-M824 VanDerWaalsContact O-CB 3.3Å; Y821-M824 WeakPolarHBondContact O-CB 3.09Å; Y821-M824 VanDerWaalsContact O-CG 3.31Å; Y821-M824 WeakPolarHBondContact O-CG 3.06Å; Y821-M824 PolarHBondContact O-N 3.48Å; Y821-M824 VanDerWaalsContact O-N 3.15Å; M824-D828 HydrophobicContact CB-CB 4.15Å; M824-D828 HydrophobicContact CE-CB 3.87Å; M824-D828 WeakPolarHBondContact CE-O 3.24Å; M824-V829 HydrophobicContact CB-CG2 3.83Å; M824-V829 HydrophobicContact CE-CG2 4.39Å; M824-A832 HydrophobicContact CE-CB 3.65Å
825	S	77.8	Confident	84	Confident	54 Å²	54	56.1 Å²	56.1	38%	0.378	27%	0.274	S	S	.	.			trans	-67.2	160.5	173.5	75.3	0	0	0	0	110.7	D823 Q827 D828 V829	D823-S825 PolarHBondContact O-N 2.89Å; S825-Q827 PolarHBondContact O-N 2.87Å; S825-D828 VanDerWaalsContact CB-OD2 3.31Å; S825-D828 WeakPolarHBondContact CB-OD2 3.22Å; S825-D828 PolarHBondContact N-OD2 3.17Å; S825-D828 VanDerWaalsContact N-OD2 3.13Å; S825-D828 PolarHBondContact O-N 3.24Å; S825-D828 PolarHBondContact OG-N 3.08Å; S825-D828 VanDerWaalsContact OG-N 3.15Å; S825-D828 PolarHBondContact OG-OD2 3.29Å; S825-V829 WeakPolarHBondContact O-CG2 3.42Å; S825-V829 PolarHBondContact O-N 3.02Å
826	N	82.9	Confident	83.6	Confident	18 Å²	18	59.9 Å²	59.9	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-29.8	177.4	-70.5	-7.4	0	0	0	111.8	P772 T775 I784 R785 I830	P772-N826 PolarHBondContact O-ND2 2.99Å; T775-N826 PolarHBondContact OG1-ND2 2.97Å; I784-N826 HydrophobicContact CB-CB 4.09Å; I784-N826 HydrophobicContact CG1-CB 4.13Å; I784-N826 HydrophobicContact CG2-CB 4.08Å; R785-N826 PolarHBondContact NE-OD1 3.17Å; R785-N826 PolarHBondContact NH2-OD1 2.04Å; N826-I830 VanDerWaalsContact O-CG1 3.31Å; N826-I830 WeakPolarHBondContact O-CG1 3.46Å; N826-I830 PolarHBondContact O-N 3.17Å; N826-I830 VanDerWaalsContact O-N 3.15Å
827	Q	81.1	Confident	83.4	Confident	109 Å²	109	62.6 Å²	62.6	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-69.3	-41.8	173.7	-169.5	60.9	47	0	0	112.1	S825 V829 I830 N831	S825-Q827 PolarHBondContact O-N 2.87Å; Q827-V829 VanDerWaalsContact C-N 3.28Å; Q827-V829 PolarHBondContact O-N 3.35Å; Q827-I830 PolarHBondContact O-N 2.91Å; Q827-N831 PolarHBondContact NE2-OD1 3.24Å; Q827-N831 VanDerWaalsContact O-CG 3.22Å; Q827-N831 PolarHBondContact O-N 3.26Å; Q827-N831 PolarHBondContact O-ND2 2.96Å; Q827-N831 PolarHBondContact O-OD1 3.45Å
828	D	80.3	Confident	83.4	Confident	77 Å²	77	64.3 Å²	64.3	41%	0.412	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-35.8	176.9	-59.6	-42	0	0	0	111.5	M824 S825 N831 A832	M824-D828 HydrophobicContact CB-CB 4.15Å; M824-D828 HydrophobicContact CE-CB 3.87Å; M824-D828 WeakPolarHBondContact CE-O 3.24Å; S825-D828 VanDerWaalsContact CB-OD2 3.31Å; S825-D828 WeakPolarHBondContact CB-OD2 3.22Å; S825-D828 PolarHBondContact N-OD2 3.17Å; S825-D828 VanDerWaalsContact N-OD2 3.13Å; S825-D828 PolarHBondContact O-N 3.24Å; S825-D828 PolarHBondContact OG-N 3.08Å; S825-D828 VanDerWaalsContact OG-N 3.15Å; S825-D828 PolarHBondContact OG-OD2 3.29Å; D828-N831 PolarHBondContact O-N 2.86Å; D828-A832 VanDerWaalsContact O-CB 3.25Å; D828-A832 WeakPolarHBondContact O-CB 3.15Å; D828-A832 PolarHBondContact O-N 2.95Å
829	V	81.1	Confident	83.4	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-45.8	174.8	173.7	0	0	0	0	110.9	I784 R785 Y821 M824 S825 Q827 N831 A832 I833	I784-V829 HydrophobicContact CG2-CG1 4.33Å; R785-V829 HydrophobicContact CG-CG2 4.43Å; Y821-V829 HydrophobicContact CD1-CG1 4.36Å; Y821-V829 HydrophobicContact CD1-CG2 4.42Å; Y821-V829 HydrophobicContact CD2-CG1 3.77Å; Y821-V829 HydrophobicContact CD2-CG2 4.22Å; Y821-V829 HydrophobicContact CE2-CG1 3.94Å; Y821-V829 HydrophobicContact CG-CG1 4Å; Y821-V829 HydrophobicContact CG-CG2 3.84Å; M824-V829 HydrophobicContact CB-CG2 3.83Å; M824-V829 HydrophobicContact CE-CG2 4.39Å; S825-V829 WeakPolarHBondContact O-CG2 3.42Å; S825-V829 PolarHBondContact O-N 3.02Å; Q827-V829 VanDerWaalsContact C-N 3.28Å; Q827-V829 PolarHBondContact O-N 3.35Å; V829-N831 PolarHBondContact O-N 3.1Å; V829-A832 PolarHBondContact O-N 3.48Å; V829-I833 HydrophobicContact CG1-CD1 3.71Å; V829-I833 HydrophobicContact CG1-CG1 4.4Å; V829-I833 WeakPolarHBondContact O-CB 3.25Å; V829-I833 VanDerWaalsContact O-CG1 3.26Å; V829-I833 WeakPolarHBondContact O-CG1 3.02Å; V829-I833 PolarHBondContact O-N 3.02Å
830	I	82.3	Confident	83.2	Confident	28 Å²	28	57.2 Å²	57.2	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-57.6	-51.7	175.5	-66.6	164.1	0	0	0	109.9	I784 I792 N826 Q827 A832 I833 E834	I784-I830 HydrophobicContact CD1-CD1 4.26Å; I784-I830 HydrophobicContact CG2-CD1 4.16Å; I784-I830 HydrophobicContact CG2-CG1 3.76Å; I792-I830 HydrophobicContact CG2-CD1 4.24Å; I792-I830 HydrophobicContact CG2-CG1 4.19Å; N826-I830 VanDerWaalsContact O-CG1 3.31Å; N826-I830 WeakPolarHBondContact O-CG1 3.46Å; N826-I830 PolarHBondContact O-N 3.17Å; N826-I830 VanDerWaalsContact O-N 3.15Å; Q827-I830 PolarHBondContact O-N 2.91Å; I830-A832 VanDerWaalsContact C-N 3.32Å; I830-A832 PolarHBondContact O-N 2.94Å; I830-I833 PolarHBondContact O-N 3.23Å; I830-E834 WeakPolarHBondContact O-CG 3.41Å; I830-E834 PolarHBondContact O-N 2.99Å
831	N	80.9	Confident	82.9	Confident	59 Å²	59	60.3 Å²	60.3	32%	0.316	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-41.5	-179	-65.2	-14.3	0	0	0	112	Q827 D828 V829 E834 Q835	Q827-N831 PolarHBondContact NE2-OD1 3.24Å; Q827-N831 VanDerWaalsContact O-CG 3.22Å; Q827-N831 PolarHBondContact O-N 3.26Å; Q827-N831 PolarHBondContact O-ND2 2.96Å; Q827-N831 PolarHBondContact O-OD1 3.45Å; D828-N831 PolarHBondContact O-N 2.86Å; V829-N831 PolarHBondContact O-N 3.1Å; N831-E834 PolarHBondContact O-N 3.3Å; N831-Q835 WeakPolarHBondContact O-CB 3.43Å; N831-Q835 VanDerWaalsContact O-CG 3.25Å; N831-Q835 WeakPolarHBondContact O-CG 3.34Å; N831-Q835 PolarHBondContact O-N 3.47Å
832	A	80.8	Confident	82.9	Confident	11 Å²	11	60.8 Å²	60.8	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-66.4	-44.6	178.7	0	0	0	0	0	111.7	M824 D828 V829 I830 E834 Q835 D836 Y837	M824-A832 HydrophobicContact CE-CB 3.65Å; D828-A832 VanDerWaalsContact O-CB 3.25Å; D828-A832 WeakPolarHBondContact O-CB 3.15Å; D828-A832 PolarHBondContact O-N 2.95Å; V829-A832 PolarHBondContact O-N 3.48Å; I830-A832 VanDerWaalsContact C-N 3.32Å; I830-A832 PolarHBondContact O-N 2.94Å; A832-E834 VanDerWaalsContact C-N 3.29Å; A832-E834 PolarHBondContact O-N 3.42Å; A832-Q835 CarbonylContact O-C 3.54Å; A832-Q835 PolarHBondContact O-N 3.29Å; A832-Q835 VanDerWaalsContact O-N 3.16Å; A832-D836 PolarHBondContact O-N 2.96Å; A832-Y837 HydrophobicContact CB-CD1 4.1Å; A832-Y837 HydrophobicContact CB-CG 4.25Å; A832-Y837 WeakPolarHBondContact O-CB 3.43Å; A832-Y837 PolarHBondContact O-N 3.01Å
833	I	86.9	Confident	82.4	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-41.8	176.7	-71.4	169.5	0	0	0	110.9	P789 W804 Y821 V829 I830 Q835 D836 R838	P789-I833 HydrophobicContact CB-CG2 4.35Å; P789-I833 HydrophobicContact CG-CG2 3.69Å; W804-I833 HydrophobicContact CH2-CG2 3.99Å; W804-I833 HydrophobicContact CZ2-CD1 4.26Å; W804-I833 HydrophobicContact CZ2-CG1 4.44Å; W804-I833 HydrophobicContact CZ2-CG2 4.06Å; Y821-I833 HydrophobicContact CE1-CG1 4.44Å; Y821-I833 HydrophobicContact CE2-CD1 4.47Å; V829-I833 HydrophobicContact CG1-CD1 3.71Å; V829-I833 HydrophobicContact CG1-CG1 4.4Å; V829-I833 WeakPolarHBondContact O-CB 3.25Å; V829-I833 VanDerWaalsContact O-CG1 3.26Å; V829-I833 WeakPolarHBondContact O-CG1 3.02Å; V829-I833 PolarHBondContact O-N 3.02Å; I830-I833 PolarHBondContact O-N 3.23Å; I833-Q835 VanDerWaalsContact C-N 3.31Å; I833-Q835 PolarHBondContact O-N 2.98Å; I833-D836 PolarHBondContact O-N 3.17Å; I833-D836 VanDerWaalsContact O-N 3.09Å; I833-R838 PolarHBondContact O-NH1 3.33Å
834	E	84.6	Confident	82.3	Confident	120 Å²	120	60.3 Å²	60.3	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-62.9	-36.3	176.3	-75.7	-175.4	169.7	0	0	112.8	I830 N831 A832 D836 K859	I830-E834 WeakPolarHBondContact O-CG 3.41Å; I830-E834 PolarHBondContact O-N 2.99Å; N831-E834 PolarHBondContact O-N 3.3Å; A832-E834 VanDerWaalsContact C-N 3.29Å; A832-E834 PolarHBondContact O-N 3.42Å; E834-D836 PolarHBondContact O-N 3.24Å; E834-K859 PolarHBondContact O-NZ 2.89Å
835	Q	83.1	Confident	82.7	Confident	156 Å²	156	58 Å²	58	73%	0.729	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	17.1	173.3	-66.8	173.3	14.2	0	0	113.4	N831 A832 I833 Y837	N831-Q835 WeakPolarHBondContact O-CB 3.43Å; N831-Q835 VanDerWaalsContact O-CG 3.25Å; N831-Q835 WeakPolarHBondContact O-CG 3.34Å; N831-Q835 PolarHBondContact O-N 3.47Å; A832-Q835 CarbonylContact O-C 3.54Å; A832-Q835 PolarHBondContact O-N 3.29Å; A832-Q835 VanDerWaalsContact O-N 3.16Å; I833-Q835 VanDerWaalsContact C-N 3.31Å; I833-Q835 PolarHBondContact O-N 2.98Å; Q835-Y837 PolarHBondContact O-N 2.95Å; Q835-Y837 VanDerWaalsContact O-N 3.14Å
836	D	84.2	Confident	83.3	Confident	91 Å²	91	55.4 Å²	55.4	49%	0.487	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	19.7	178.2	-66.8	-51.7	0	0	0	115.1	A832 I833 E834 R838 K859	A832-D836 PolarHBondContact O-N 2.96Å; I833-D836 PolarHBondContact O-N 3.17Å; I833-D836 VanDerWaalsContact O-N 3.09Å; E834-D836 PolarHBondContact O-N 3.24Å; D836-R838 IonicContact OD1-NH2 2.9Å; D836-R838 PolarHBondContact OD1-NH2 3.44Å; D836-K859 IonicContact OD1-NZ 3.3Å; D836-K859 IonicContact OD2-NZ 3.52Å
837	Y	84.8	Confident	83.6	Confident	85 Å²	85	57.2 Å²	57.2	33%	0.333	30%	0.301	S	S	.	.			trans	-68.3	135.6	168.5	-176.4	-95.9	0	0	0	110.5	Y821 A832 Q835	Y821-Y837 HydrophobicContact CD1-CD1 4.36Å; Y821-Y837 HydrophobicContact CD1-CE1 4.15Å; Y821-Y837 HydrophobicContact CE1-CD1 4.03Å; Y821-Y837 HydrophobicContact CE1-CE1 4.14Å; A832-Y837 HydrophobicContact CB-CD1 4.1Å; A832-Y837 HydrophobicContact CB-CG 4.25Å; A832-Y837 WeakPolarHBondContact O-CB 3.43Å; A832-Y837 PolarHBondContact O-N 3.01Å; Q835-Y837 PolarHBondContact O-N 2.95Å; Q835-Y837 VanDerWaalsContact O-N 3.14Å
838	R	89.3	Confident	84	Confident	38 Å²	38	53.8 Å²	53.8	14%	0.143	29%	0.289	C	S	.	.			trans	-131.1	153.7	175.3	-60.2	-61.1	-180	-90.3	-9.9	109.6	I833 D836 L854 W857	I833-R838 PolarHBondContact O-NH1 3.33Å; D836-R838 IonicContact OD1-NH2 2.9Å; D836-R838 PolarHBondContact OD1-NH2 3.44Å; R838-L854 HydrophobicContact CB-CD2 4.14Å; R838-W857 HydrophobicContact CB-CE3 4.12Å; R838-W857 HydrophobicContact CG-CB 4.44Å; R838-W857 PolarHBondContact NE-O 2.79Å; R838-W857 PolarHBondContact NH2-O 3.38Å
839	L	86.3	Confident	84.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-62.4	134.8	-178.7	-70.1	168.5	0	0	0	111	I808 W811 P820 Y821 H850 W857	I808-L839 HydrophobicContact CD1-CD1 3.86Å; W811-L839 HydrophobicContact CB-CD1 4.44Å; W811-L839 HydrophobicContact CD2-CD1 3.85Å; W811-L839 HydrophobicContact CE3-CD1 4.26Å; W811-L839 HydrophobicContact CG-CB 4.3Å; W811-L839 HydrophobicContact CG-CD1 3.91Å; P820-L839 HydrophobicContact CB-CD1 4.24Å; Y821-L839 HydrophobicContact CD1-CD2 3.71Å; Y821-L839 HydrophobicContact CD1-CG 4.24Å; Y821-L839 HydrophobicContact CD2-CD1 4.41Å; Y821-L839 HydrophobicContact CD2-CD2 4.33Å; Y821-L839 HydrophobicContact CE1-CD2 3.92Å; Y821-L839 HydrophobicContact CE1-CG 3.94Å; Y821-L839 HydrophobicContact CE2-CD1 4.13Å; Y821-L839 HydrophobicContact CE2-CG 4.26Å; Y821-L839 HydrophobicContact CG-CD2 3.92Å; L839-H850 PolarHBondContact O-NE2 3.34Å; L839-W857 HydrophobicContact CB-CH2 3.83Å; L839-W857 HydrophobicContact CB-CZ3 4.11Å; L839-W857 HydrophobicContact CD1-CH2 4.35Å; L839-W857 HydrophobicContact CD1-CZ2 4.36Å
840	P	83.2	Confident	85.3	Confident	53 Å²	53	51.6 Å²	51.6	34%	0.344	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-69.6	160.2	175.4	30.2	-34.5	0	0	0	111.1	W811 W822	W811-P840 PolarHBondContact NE1-O 3.35Å; W822-P840 HydrophobicContact CH2-CG 3.81Å; W822-P840 HydrophobicContact CZ2-CG 4.35Å
841	P	81.9	Confident	85.9	Confident	66 Å²	66	54.7 Å²	54.7	43%	0.429	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.2	133.3	175.7	24.8	-31	0	0	0	110.4	C845 H850	P841-C845 HydrophobicContact CB-CB 4.2Å; P841-H850 HydrophobicContact CB-CB 4.08Å
842	P	85.1	Confident	86.7	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.058	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-59.6	160.5	169.7	-25.5	36.2	0	0	0	112.2	W811 M814 D844 C845	W811-P842 HydrophobicContact CD2-CG 4.4Å; W811-P842 HydrophobicContact CG-CG 4.2Å; M814-P842 HydrophobicContact CB-CB 4.26Å; M814-P842 HydrophobicContact CB-CG 3.93Å; P842-D844 PolarHBondContact O-N 3.11Å; P842-C845 HydrophobicContact CB-CB 4.39Å; P842-C845 WeakPolarHBondContact O-CB 3.15Å; P842-C845 PolarHBondContact O-N 3.14Å; P842-C845 VanDerWaalsContact O-N 3.12Å
843	P	76.8	Confident	87.5	Confident	104 Å²	104	51.8 Å²	51.8	68%	0.675	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	137.8	174	-25.1	34.7	0	0	0	111.7	C845	P843-C845 PolarHBondContact O-N 2.81Å
844	D	76.4	Confident	87.9	Confident	131 Å²	131	53.8 Å²	53.8	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	17.3	179.6	-54	-48.3	0	0	0	115.2	P842	P842-D844 PolarHBondContact O-N 3.11Å
845	C	86.4	Confident	88.5	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.02	27%	0.272	C	S	.	.			trans	-72.9	126.5	176.5	-174.6	0	0	0	0	111.5	M814 P841 P842 P843	M814-C845 HydrophobicContact CE-CB 4.33Å; P841-C845 HydrophobicContact CB-CB 4.2Å; P842-C845 HydrophobicContact CB-CB 4.39Å; P842-C845 WeakPolarHBondContact O-CB 3.15Å; P842-C845 PolarHBondContact O-N 3.14Å; P842-C845 VanDerWaalsContact O-N 3.12Å; P843-C845 PolarHBondContact O-N 2.81Å
846	P	90.9	Very high	89.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-63.3	138.4	176.3	-20.4	31.3	0	0	0	112.4	V714 S848 L849 H850 L884	V714-P846 HydrophobicContact CG1-CG 3.51Å; P846-S848 PolarHBondContact O-N 2.82Å; P846-L849 HydrophobicContact CB-CB 4.39Å; P846-L849 WeakPolarHBondContact O-CB 3.19Å; P846-L849 PolarHBondContact O-N 3.38Å; P846-H850 PolarHBondContact O-N 3.06Å; P846-H850 VanDerWaalsContact O-N 3.09Å; P846-L884 HydrophobicContact CB-CD2 4.13Å; P846-L884 HydrophobicContact CG-CB 4.26Å; P846-L884 HydrophobicContact CG-CD2 3.93Å; P846-L884 WeakPolarHBondContact CG-O 3.39Å
847	T	88.6	Confident	89.9	Confident	56 Å²	56	39.2 Å²	39.2	34%	0.344	22%	0.215	S	C	.	.	H	α-helix	trans	-56.7	-39.1	-178.1	-51.8	0	0	0	0	112.2	L849 H850 Q851 I886 A888	T847-L849 VanDerWaalsContact C-N 3.26Å; T847-L849 PolarHBondContact O-N 2.75Å; T847-H850 PolarHBondContact O-N 3.17Å; T847-Q851 WeakPolarHBondContact O-CB 3.16Å; T847-Q851 PolarHBondContact O-N 2.79Å; T847-I886 PolarHBondContact N-O 2.98Å; T847-I886 PolarHBondContact OG1-O 3.06Å; T847-A888 HydrophobicContact CG2-CB 4.46Å; T847-A888 WeakPolarHBondContact OG1-CA 3.14Å; T847-A888 PolarHBondContact OG1-N 3.49Å
848	S	90.2	Very high	90.5	Very high	37 Å²	37	39 Å²	39	26%	0.259	22%	0.217	S	C	.	.	H	α-helix	trans	-64.1	-31.9	179	60.1	0	0	0	0	112.9	P846 L852 M877	P846-S848 PolarHBondContact O-N 2.82Å; S848-L852 PolarHBondContact O-N 3.38Å; S848-M877 VanDerWaalsContact O-CE 3.23Å; S848-M877 WeakPolarHBondContact O-CE 3.35Å
849	L	94.3	Very high	90.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-79.4	-42.8	179.9	-168.6	64.9	0	0	0	110.7	V718 L721 M810 M814 P846 T847 Q851 L852 M853 L874 M877	V718-L849 HydrophobicContact CG2-CD2 4.27Å; L721-L849 HydrophobicContact CD1-CD1 4.15Å; L721-L849 HydrophobicContact CD1-CD2 4.1Å; M810-L849 HydrophobicContact SD-CD1 4.36Å; M814-L849 HydrophobicContact CE-CD2 4.1Å; M814-L849 HydrophobicContact CG-CD2 3.48Å; M814-L849 VanDerWaalsContact CG-CD2 3.48Å; M814-L849 HydrophobicContact SD-CD2 3.39Å; M814-L849 WeakPolarHBondContact SD-CD2 3.03Å; P846-L849 HydrophobicContact CB-CB 4.39Å; P846-L849 WeakPolarHBondContact O-CB 3.19Å; P846-L849 PolarHBondContact O-N 3.38Å; T847-L849 VanDerWaalsContact C-N 3.26Å; T847-L849 PolarHBondContact O-N 2.75Å; L849-Q851 VanDerWaalsContact C-N 3.31Å; L849-Q851 PolarHBondContact O-N 3.33Å; L849-L852 WeakPolarHBondContact O-CB 3.47Å; L849-L852 PolarHBondContact O-N 3.24Å; L849-M853 HydrophobicContact CD2-CE 4.34Å; L849-M853 HydrophobicContact CG-CE 4.07Å; L849-M853 WeakPolarHBondContact O-CG 3.26Å; L849-M853 PolarHBondContact O-N 2.72Å; L849-L874 HydrophobicContact CD1-CD2 3.79Å; L849-M877 HydrophobicContact CB-SD 4.41Å; L849-M877 HydrophobicContact CD1-SD 4.17Å
850	H	94.5	Very high	90.8	Very high	30 Å²	30	46.6 Å²	46.6	14%	0.139	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-38.7	173.3	-176.8	-112.9	0	0	0	112.2	L839 P841 P846 T847 L852 M853 L854	L839-H850 PolarHBondContact O-NE2 3.34Å; P841-H850 HydrophobicContact CB-CB 4.08Å; P846-H850 PolarHBondContact O-N 3.06Å; P846-H850 VanDerWaalsContact O-N 3.09Å; T847-H850 PolarHBondContact O-N 3.17Å; H850-L852 VanDerWaalsContact C-N 3.3Å; H850-L852 PolarHBondContact O-N 2.79Å; H850-M853 WeakPolarHBondContact O-CA 3.21Å; H850-M853 VanDerWaalsContact O-CB 3.3Å; H850-M853 WeakPolarHBondContact O-CB 3.1Å; H850-M853 PolarHBondContact O-N 3.17Å; H850-L854 PolarHBondContact O-N 2.97Å
851	Q	94.8	Very high	91.2	Very high	93 Å²	93	48.9 Å²	48.9	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-59.1	-42.6	173.5	-174	58.8	55.1	0	0	111.7	T847 L849 M853 L854 D855	T847-Q851 WeakPolarHBondContact O-CB 3.16Å; T847-Q851 PolarHBondContact O-N 2.79Å; L849-Q851 VanDerWaalsContact C-N 3.31Å; L849-Q851 PolarHBondContact O-N 3.33Å; Q851-M853 VanDerWaalsContact C-N 3.29Å; Q851-M853 PolarHBondContact O-N 2.91Å; Q851-L854 WeakPolarHBondContact O-CB 3.49Å; Q851-L854 PolarHBondContact O-N 3.25Å; Q851-L854 VanDerWaalsContact O-N 3.15Å; Q851-D855 PolarHBondContact NE2-OD1 2.94Å; Q851-D855 PolarHBondContact O-N 2.55Å
852	L	96.9	Very high	91.6	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-34.7	175.1	-176.3	61.2	0	0	0	112.2	M810 S848 L849 H850 D855 C856 P865 V870 A873 L874 M877	M810-L852 HydrophobicContact CE-CG 4.13Å; M810-L852 HydrophobicContact SD-CD2 3.97Å; M810-L852 HydrophobicContact SD-CG 4.09Å; S848-L852 PolarHBondContact O-N 3.38Å; L849-L852 WeakPolarHBondContact O-CB 3.47Å; L849-L852 PolarHBondContact O-N 3.24Å; H850-L852 VanDerWaalsContact C-N 3.3Å; H850-L852 PolarHBondContact O-N 2.79Å; L852-D855 PolarHBondContact O-N 2.64Å; L852-C856 PolarHBondContact O-N 2.93Å; L852-P865 HydrophobicContact CD1-CG 4.43Å; L852-V870 HydrophobicContact CD2-CG1 4.43Å; L852-A873 HydrophobicContact CD1-CB 4.16Å; L852-A873 HydrophobicContact CD2-CB 4.01Å; L852-L874 HydrophobicContact CD2-CD2 4.02Å; L852-L874 HydrophobicContact CD2-CG 4.14Å; L852-M877 HydrophobicContact CB-CE 4.41Å; L852-M877 HydrophobicContact CD2-CE 4.2Å
853	M	97.8	Very high	92.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-45.2	171.6	-57.6	173.2	-165.4	0	0	111.3	M810 W811 M814 L849 H850 Q851 D855 C856 W857	M810-M853 HydrophobicContact CB-CE 3.96Å; M810-M853 HydrophobicContact CB-CG 3.78Å; M810-M853 HydrophobicContact CB-SD 4.39Å; M810-M853 HydrophobicContact CE-CB 4.4Å; M810-M853 HydrophobicContact CE-CG 4.04Å; M810-M853 WeakPolarHBondContact O-CE 3.07Å; M810-M853 HydrophobicContact SD-CG 4.39Å; W811-M853 HydrophobicContact CB-SD 4.14Å; M814-M853 HydrophobicContact CB-CE 4.18Å; M814-M853 HydrophobicContact CG-CE 3.79Å; L849-M853 HydrophobicContact CD2-CE 4.34Å; L849-M853 HydrophobicContact CG-CE 4.07Å; L849-M853 WeakPolarHBondContact O-CG 3.26Å; L849-M853 PolarHBondContact O-N 2.72Å; H850-M853 WeakPolarHBondContact O-CA 3.21Å; H850-M853 VanDerWaalsContact O-CB 3.3Å; H850-M853 WeakPolarHBondContact O-CB 3.1Å; H850-M853 PolarHBondContact O-N 3.17Å; Q851-M853 VanDerWaalsContact C-N 3.29Å; Q851-M853 PolarHBondContact O-N 2.91Å; M853-D855 VanDerWaalsContact C-N 3.32Å; M853-D855 PolarHBondContact O-N 2.89Å; M853-C856 WeakPolarHBondContact O-CB 3.32Å; M853-C856 PolarHBondContact O-N 3.43Å; M853-C856 VanDerWaalsContact O-N 3.17Å; M853-W857 HydrophobicContact CB-CD2 4.5Å; M853-W857 HydrophobicContact CB-CE3 4.09Å; M853-W857 HydrophobicContact CB-CH2 3.71Å; M853-W857 HydrophobicContact CB-CZ2 4.14Å; M853-W857 HydrophobicContact CB-CZ3 3.69Å; M853-W857 HydrophobicContact CG-CH2 4.35Å; M853-W857 VanDerWaalsContact O-CD2 3.23Å; M853-W857 PolarHBondContact O-N 2.83Å; M853-W857 HydrophobicContact SD-CH2 4.14Å
854	L	96.8	Very high	93.1	Very high	48 Å²	48	49.5 Å²	49.5	25%	0.251	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-37.9	176.4	-65.8	173.8	0	0	0	112.2	R838 H850 Q851 C856 W857 Q858	R838-L854 HydrophobicContact CB-CD2 4.14Å; H850-L854 PolarHBondContact O-N 2.97Å; Q851-L854 WeakPolarHBondContact O-CB 3.49Å; Q851-L854 PolarHBondContact O-N 3.25Å; Q851-L854 VanDerWaalsContact O-N 3.15Å; L854-C856 VanDerWaalsContact C-N 3.32Å; L854-W857 HydrophobicContact CD2-CE3 4.21Å; L854-W857 CarbonylContact O-C 3.52Å; L854-W857 PolarHBondContact O-N 2.84Å; L854-W857 VanDerWaalsContact O-N 3.12Å; L854-Q858 PolarHBondContact O-N 2.76Å; L854-Q858 PolarHBondContact O-NE2 3.15Å
855	D	97.5	Very high	94.1	Very high	58 Å²	58	44.1 Å²	44.1	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-64.3	-38.1	174.6	-61.3	-15.6	0	0	0	111.1	Q851 L852 M853 W857 Q858 P865	Q851-D855 PolarHBondContact NE2-OD1 2.94Å; Q851-D855 PolarHBondContact O-N 2.55Å; L852-D855 PolarHBondContact O-N 2.64Å; M853-D855 VanDerWaalsContact C-N 3.32Å; M853-D855 PolarHBondContact O-N 2.89Å; D855-W857 VanDerWaalsContact C-N 3.31Å; D855-W857 PolarHBondContact O-N 3.41Å; D855-Q858 VanDerWaalsContact O-CG 3.32Å; D855-Q858 WeakPolarHBondContact O-CG 3.47Å; D855-P865 HydrophobicContact CB-CG 4.29Å; D855-P865 WeakPolarHBondContact O-CD 3.23Å
856	C	98.1	Very high	94.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-29.9	171.3	-78.7	0	0	0	0	113.1	A803 M810 L852 M853 L854 R864	A803-C856 WeakPolarHBondContact O-CB 3.48Å; A803-C856 PolarHBondContact O-SG 3.05Å; A803-C856 VanDerWaalsContact O-SG 3.37Å; M810-C856 HydrophobicContact CE-CB 4.24Å; L852-C856 PolarHBondContact O-N 2.93Å; M853-C856 WeakPolarHBondContact O-CB 3.32Å; M853-C856 PolarHBondContact O-N 3.43Å; M853-C856 VanDerWaalsContact O-N 3.17Å; L854-C856 VanDerWaalsContact C-N 3.32Å; C856-R864 VanDerWaalsContact O-CD 3.25Å; C856-R864 WeakPolarHBondContact O-CD 3.27Å; C856-R864 WeakPolarHBondContact O-CG 3.34Å
857	W	97.7	Very high	94.9	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.011	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	23.6	-178.4	-56.8	-40.5	0	0	0	115	W804 G807 I808 W811 R838 L839 M853 L854 D855 K859	W804-W857 AromaticContact CD2-CD1 3.77Å; W804-W857 AromaticContact CE2-CD1 3.87Å; W804-W857 HydrophobicContact CE3-CB 4.14Å; W804-W857 HydrophobicContact CH2-CB 4.17Å; W804-W857 VanDerWaalsContact CZ3-C 3.49Å; W804-W857 HydrophobicContact CZ3-CB 3.92Å; W804-W857 VanDerWaalsContact CZ3-O 3.23Å; W804-W857 WeakPolarHBondContact CZ3-O 3.34Å; W804-W857 PolarHBondContact O-NE1 2.69Å; G807-W857 VanDerWaalsContact C-CZ2 3.43Å; G807-W857 WeakPolarHBondContact O-CZ2 3.37Å; I808-W857 HydrophobicContact CD1-CZ2 3.71Å; I808-W857 HydrophobicContact CG1-CZ2 4.43Å; W811-W857 HydrophobicContact CB-CH2 4.06Å; W811-W857 HydrophobicContact CB-CZ2 4.14Å; W811-W857 HydrophobicContact CG-CH2 4.37Å; R838-W857 HydrophobicContact CB-CE3 4.12Å; R838-W857 HydrophobicContact CG-CB 4.44Å; R838-W857 PolarHBondContact NE-O 2.79Å; R838-W857 PolarHBondContact NH2-O 3.38Å; L839-W857 HydrophobicContact CB-CH2 3.83Å; L839-W857 HydrophobicContact CB-CZ3 4.11Å; L839-W857 HydrophobicContact CD1-CH2 4.35Å; L839-W857 HydrophobicContact CD1-CZ2 4.36Å; M853-W857 HydrophobicContact CB-CD2 4.5Å; M853-W857 HydrophobicContact CB-CE3 4.09Å; M853-W857 HydrophobicContact CB-CH2 3.71Å; M853-W857 HydrophobicContact CB-CZ2 4.14Å; M853-W857 HydrophobicContact CB-CZ3 3.69Å; M853-W857 HydrophobicContact CG-CH2 4.35Å; M853-W857 VanDerWaalsContact O-CD2 3.23Å; M853-W857 PolarHBondContact O-N 2.83Å; M853-W857 HydrophobicContact SD-CH2 4.14Å; L854-W857 HydrophobicContact CD2-CE3 4.21Å; L854-W857 CarbonylContact O-C 3.52Å; L854-W857 PolarHBondContact O-N 2.84Å; L854-W857 VanDerWaalsContact O-N 3.12Å; D855-W857 VanDerWaalsContact C-N 3.31Å; D855-W857 PolarHBondContact O-N 3.41Å; W857-K859 PolarHBondContact O-N 2.71Å
858	Q	96.5	Very high	95.3	Very high	81 Å²	81	54 Å²	54	38%	0.379	27%	0.269	S	S	.	.			trans	-61.3	136.7	169.4	-68.1	-61.5	-34	0	0	110.8	L854 D855 A863 R864	L854-Q858 PolarHBondContact O-N 2.76Å; L854-Q858 PolarHBondContact O-NE2 3.15Å; D855-Q858 VanDerWaalsContact O-CG 3.32Å; D855-Q858 WeakPolarHBondContact O-CG 3.47Å; Q858-A863 HydrophobicContact CB-CB 4.01Å; Q858-A863 HydrophobicContact CG-CB 4.25Å; Q858-R864 HydrophobicContact CB-CG 3.98Å; Q858-R864 PolarHBondContact O-NE 3.41Å; Q858-R864 PolarHBondContact O-NH2 2.79Å
859	K	90.3	Very high	95.7	Very high	109 Å²	109	57.7 Å²	57.7	47%	0.474	28%	0.282	S	S	.	.	S	Bend	trans	-63.9	-45.4	-179.6	-168.8	174	-165.1	156.4	0	111	E834 D836 W857 R861 R864	E834-K859 PolarHBondContact O-NZ 2.89Å; D836-K859 IonicContact OD1-NZ 3.3Å; D836-K859 IonicContact OD2-NZ 3.52Å; W857-K859 PolarHBondContact O-N 2.71Å; K859-R861 PolarHBondContact O-N 2.67Å; K859-R864 PolarHBondContact O-NH2 3.49Å
860	D	91.5	Very high	95.9	Very high	89 Å²	89	57.7 Å²	57.7	48%	0.476	28%	0.282	S	S	.	.	S	Bend	trans	-72.1	120	170.2	-179.6	9.8	0	0	0	110.4	N862 A863	D860-N862 PolarHBondContact O-N 2.71Å; D860-N862 PolarHBondContact OD1-N 3.05Å; D860-A863 HydrophobicContact CB-CB 4.17Å; D860-A863 PolarHBondContact O-N 3.34Å; D860-A863 VanDerWaalsContact O-N 3.14Å
861	R	92.6	Very high	96.1	Very high	101 Å²	101	56.4 Å²	56.4	38%	0.381	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-58.7	-30.4	178	74.5	179.2	-170.2	179.2	1.1	113.1	A800 K859 A863 R864	A800-R861 HydrophobicContact CB-CB 4.04Å; K859-R861 PolarHBondContact O-N 2.67Å; R861-A863 VanDerWaalsContact C-N 3.3Å; R861-R864 PolarHBondContact O-N 3.17Å
862	N	91.1	Very high	96.2	Very high	122 Å²	122	54.3 Å²	54.3	65%	0.652	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-78.4	-19.7	-177.4	-61.5	-38.1	0	0	0	112.2	D860 R864	D860-N862 PolarHBondContact O-N 2.71Å; D860-N862 PolarHBondContact OD1-N 3.05Å; N862-R864 VanDerWaalsContact C-N 3.33Å
863	A	95.3	Very high	96.2	Very high	58 Å²	58	55.1 Å²	55.1	48%	0.479	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-82.1	-11.8	176	0	0	0	0	0	112.8	Q858 D860 R861	Q858-A863 HydrophobicContact CB-CB 4.01Å; Q858-A863 HydrophobicContact CG-CB 4.25Å; D860-A863 HydrophobicContact CB-CB 4.17Å; D860-A863 PolarHBondContact O-N 3.34Å; D860-A863 VanDerWaalsContact O-N 3.14Å; R861-A863 VanDerWaalsContact C-N 3.3Å
864	R	97.5	Very high	96.1	Very high	11 Å²	11	55.1 Å²	55.1	4%	0.042	28%	0.279	C	S	.	.	S	Bend	trans	-74.6	144.5	178.2	-60.6	177.3	-165.4	153.3	10.7	111	E790 A800 C856 Q858 K859 R861 N862	E790-R864 IonicContact OE1-CZ 3.54Å; E790-R864 IonicContact OE1-NH1 2.73Å; E790-R864 PolarHBondContact OE1-NH1 3.12Å; E790-R864 IonicContact OE1-NH2 3.96Å; E790-R864 PolarHBondContact OE1-NH2 2.02Å; E790-R864 IonicContact OE2-CZ 3.18Å; E790-R864 IonicContact OE2-NH1 3.71Å; E790-R864 PolarHBondContact OE2-NH1 3.13Å; E790-R864 IonicContact OE2-NH2 2.82Å; E790-R864 PolarHBondContact OE2-NH2 3.25Å; A800-R864 WeakPolarHBondContact O-CD 3.31Å; A800-R864 PolarHBondContact O-NH1 3.17Å; C856-R864 VanDerWaalsContact O-CD 3.25Å; C856-R864 WeakPolarHBondContact O-CD 3.27Å; C856-R864 WeakPolarHBondContact O-CG 3.34Å; Q858-R864 HydrophobicContact CB-CG 3.98Å; Q858-R864 PolarHBondContact O-NE 3.41Å; Q858-R864 PolarHBondContact O-NH2 2.79Å; K859-R864 PolarHBondContact O-NH2 3.49Å; R861-R864 PolarHBondContact O-N 3.17Å; N862-R864 VanDerWaalsContact C-N 3.33Å
865	P	97.4	Very high	96.1	Very high	18 Å²	18	54.4 Å²	54.4	12%	0.117	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.8	138.2	175.9	28.5	-34.7	0	0	0	110.7	L852 D855 Q869 V870	L852-P865 HydrophobicContact CD1-CG 4.43Å; D855-P865 HydrophobicContact CB-CG 4.29Å; D855-P865 WeakPolarHBondContact O-CD 3.23Å; P865-Q869 HydrophobicContact CB-CB 4.19Å; P865-V870 HydrophobicContact CB-CG2 3.9Å; P865-V870 HydrophobicContact CG-CG2 3.84Å
866	R	95.8	Very high	95.9	Very high	198 Å²	198	58 Å²	58	75%	0.747	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-72.9	152.8	168	-60	-174.4	179.9	-170.6	-0	109.6	P868 Q869 V870	R866-P868 VanDerWaalsContact C-CD 3.44Å; R866-P868 VanDerWaalsContact C-N 3.33Å; R866-P868 VanDerWaalsContact O-N 3.14Å; R866-Q869 WeakPolarHBondContact O-CA 3.32Å; R866-Q869 VanDerWaalsContact O-CB 3.3Å; R866-Q869 WeakPolarHBondContact O-CB 3.36Å; R866-Q869 PolarHBondContact O-N 2.97Å; R866-V870 PolarHBondContact O-N 2.75Å; R866-V870 VanDerWaalsContact O-N 3.12Å
867	F	97.9	Very high	95.7	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-52.5	-36.7	-178.5	-74.4	-68.3	0	0	0	115.8	M728 R729 A732 D802 A803 Y806 Q869 V870 V871	M728-F867 HydrophobicContact CB-CD1 3.5Å; M728-F867 HydrophobicContact CB-CD2 4.02Å; M728-F867 HydrophobicContact CB-CE1 3.3Å; M728-F867 HydrophobicContact CB-CE2 3.84Å; M728-F867 HydrophobicContact CB-CG 3.87Å; M728-F867 HydrophobicContact CB-CZ 3.49Å; M728-F867 VanDerWaalsContact CB-CZ 3.49Å; M728-F867 HydrophobicContact CE-CE2 4.01Å; M728-F867 HydrophobicContact CE-CZ 3.86Å; M728-F867 HydrophobicContact CG-CE1 3.93Å; M728-F867 HydrophobicContact CG-CZ 4.01Å; R729-F867 HydrophobicContact CB-CB 3.82Å; R729-F867 HydrophobicContact CG-CB 4.46Å; A732-F867 HydrophobicContact CB-CD2 4.1Å; D802-F867 HydrophobicContact CB-CE2 3.99Å; D802-F867 HydrophobicContact CB-CZ 3.96Å; A803-F867 HydrophobicContact CB-CZ 4.41Å; Y806-F867 HydrophobicContact CD2-CE1 4.24Å; Y806-F867 AromaticContact CG-CE1 3.95Å; Y806-F867 HydrophobicContact CG-CE1 3.95Å; F867-Q869 VanDerWaalsContact C-N 3.27Å; F867-Q869 PolarHBondContact O-N 3.05Å; F867-V870 PolarHBondContact O-N 3.16Å; F867-V871 WeakPolarHBondContact O-CG2 3.49Å; F867-V871 PolarHBondContact O-N 2.77Å
868	P	97.3	Very high	95.4	Very high	66 Å²	66	61.3 Å²	61.3	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-36.6	171.1	-25.7	33.8	0	0	0	114.1	R729 R866 S872	R729-P868 HydrophobicContact CG-CG 3.99Å; R866-P868 VanDerWaalsContact C-CD 3.44Å; R866-P868 VanDerWaalsContact C-N 3.33Å; R866-P868 VanDerWaalsContact O-N 3.14Å; P868-S872 WeakPolarHBondContact O-CB 3.22Å; P868-S872 PolarHBondContact O-N 2.82Å; P868-S872 VanDerWaalsContact O-N 3.09Å
869	Q	97.8	Very high	95.2	Very high	113 Å²	113	65.6 Å²	65.6	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-72.3	-39.6	177.2	-62	168.4	-45.8	0	0	110.9	P865 R866 F867 S872 A873	P865-Q869 HydrophobicContact CB-CB 4.19Å; R866-Q869 WeakPolarHBondContact O-CA 3.32Å; R866-Q869 VanDerWaalsContact O-CB 3.3Å; R866-Q869 WeakPolarHBondContact O-CB 3.36Å; R866-Q869 PolarHBondContact O-N 2.97Å; F867-Q869 VanDerWaalsContact C-N 3.27Å; F867-Q869 PolarHBondContact O-N 3.05Å; Q869-S872 PolarHBondContact O-N 3.01Å; Q869-A873 WeakPolarHBondContact O-CB 3.36Å; Q869-A873 PolarHBondContact O-N 3.36Å
870	V	98.2	Very high	95.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-49.4	174.7	176.9	0	0	0	0	111.1	A725 Y806 L852 P865 R866 F867 S872 A873 L874	A725-V870 HydrophobicContact CB-CG1 3.98Å; Y806-V870 HydrophobicContact CD1-CG1 3.92Å; Y806-V870 HydrophobicContact CE1-CG1 3.31Å; L852-V870 HydrophobicContact CD2-CG1 4.43Å; P865-V870 HydrophobicContact CB-CG2 3.9Å; P865-V870 HydrophobicContact CG-CG2 3.84Å; R866-V870 PolarHBondContact O-N 2.75Å; R866-V870 VanDerWaalsContact O-N 3.12Å; F867-V870 PolarHBondContact O-N 3.16Å; V870-S872 VanDerWaalsContact C-N 3.32Å; V870-S872 PolarHBondContact O-N 2.95Å; V870-A873 WeakPolarHBondContact O-CB 3.44Å; V870-A873 PolarHBondContact O-N 2.75Å; V870-L874 HydrophobicContact CG1-CD1 4.04Å; V870-L874 WeakPolarHBondContact O-CG 3.29Å; V870-L874 PolarHBondContact O-N 3.41Å
871	V	98.3	Very high	94.7	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-58.6	-44.8	176.1	173.6	0	0	0	0	110.8	A725 R729 F867 A873 L874 D875	A725-V871 HydrophobicContact CB-CG2 3.71Å; R729-V871 HydrophobicContact CB-CG2 4.45Å; F867-V871 WeakPolarHBondContact O-CG2 3.49Å; F867-V871 PolarHBondContact O-N 2.77Å; V871-A873 VanDerWaalsContact C-N 3.33Å; V871-A873 PolarHBondContact O-N 2.82Å; V871-L874 PolarHBondContact O-N 2.91Å; V871-D875 WeakPolarHBondContact O-CB 3.28Å; V871-D875 PolarHBondContact O-N 2.04Å
872	S	97.4	Very high	94.1	Very high	49 Å²	49	61.7 Å²	61.7	34%	0.343	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-39.3	177.4	-174.3	0	0	0	0	112.7	P868 Q869 V870 K876	P868-S872 WeakPolarHBondContact O-CB 3.22Å; P868-S872 PolarHBondContact O-N 2.82Å; P868-S872 VanDerWaalsContact O-N 3.09Å; Q869-S872 PolarHBondContact O-N 3.01Å; V870-S872 VanDerWaalsContact C-N 3.32Å; V870-S872 PolarHBondContact O-N 2.95Å; S872-K876 VanDerWaalsContact O-CG 3.26Å; S872-K876 WeakPolarHBondContact O-CG 3.32Å; S872-K876 PolarHBondContact O-N 2.89Å
873	A	96.5	Very high	93.6	Very high	25 Å²	25	57.1 Å²	57.1	21%	0.207	30%	0.3	C	S	.	.	H	α-helix	trans	-63.9	-46.4	176.1	0	0	0	0	0	111.6	L852 Q869 V870 V871 K876 M877	L852-A873 HydrophobicContact CD1-CB 4.16Å; L852-A873 HydrophobicContact CD2-CB 4.01Å; Q869-A873 WeakPolarHBondContact O-CB 3.36Å; Q869-A873 PolarHBondContact O-N 3.36Å; V870-A873 WeakPolarHBondContact O-CB 3.44Å; V870-A873 PolarHBondContact O-N 2.75Å; V871-A873 VanDerWaalsContact C-N 3.33Å; V871-A873 PolarHBondContact O-N 2.82Å; A873-K876 WeakPolarHBondContact O-CB 3.43Å; A873-K876 PolarHBondContact O-N 3.19Å; A873-M877 WeakPolarHBondContact O-CG 3.49Å; A873-M877 PolarHBondContact O-N 2.76Å; A873-M877 VanDerWaalsContact O-N 3.11Å
874	L	97.1	Very high	93	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-43.1	178.1	-64.3	165.2	0	0	0	111.8	V718 L721 R722 A725 Y806 L849 L852 V870 V871 K876 M877 I878	V718-L874 HydrophobicContact CG1-CD2 4.17Å; L721-L874 HydrophobicContact CB-CD1 4.4Å; L721-L874 HydrophobicContact CB-CD2 4.48Å; R722-L874 HydrophobicContact CB-CB 4.12Å; R722-L874 HydrophobicContact CB-CD1 4.31Å; R722-L874 HydrophobicContact CG-CB 4.22Å; A725-L874 HydrophobicContact CB-CD1 3.91Å; Y806-L874 WeakPolarHBondContact OH-CD1 3.17Å; L849-L874 HydrophobicContact CD1-CD2 3.79Å; L852-L874 HydrophobicContact CD2-CD2 4.02Å; L852-L874 HydrophobicContact CD2-CG 4.14Å; V870-L874 HydrophobicContact CG1-CD1 4.04Å; V870-L874 WeakPolarHBondContact O-CG 3.29Å; V870-L874 PolarHBondContact O-N 3.41Å; V871-L874 PolarHBondContact O-N 2.91Å; L874-K876 VanDerWaalsContact C-N 3.26Å; L874-K876 PolarHBondContact O-N 3.11Å; L874-M877 WeakPolarHBondContact O-CB 3.45Å; L874-M877 PolarHBondContact O-N 3.44Å; L874-I878 WeakPolarHBondContact O-CG1 3.39Å; L874-I878 PolarHBondContact O-N 2.7Å
875	D	95.7	Very high	92.1	Very high	34 Å²	34	63 Å²	63	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-60.6	-35.8	175.3	-77.7	-16.1	0	0	0	111.6	R722 V871 I878 R879	R722-D875 WeakPolarHBondContact CG-OD1 3.34Å; R722-D875 IonicContact CZ-OD1 3.83Å; R722-D875 IonicContact NE-OD1 3.93Å; R722-D875 PolarHBondContact NE-OD1 3.31Å; R722-D875 IonicContact NH2-OD1 3.86Å; R722-D875 IonicContact NH2-OD2 2.88Å; V871-D875 WeakPolarHBondContact O-CB 3.28Å; V871-D875 PolarHBondContact O-N 2.04Å; D875-I878 PolarHBondContact O-N 2.88Å; D875-R879 WeakPolarHBondContact O-CB 3.35Å; D875-R879 WeakPolarHBondContact O-CG 3.49Å; D875-R879 PolarHBondContact O-N 2.7Å; D875-R879 PolarHBondContact O-NE 2.87Å
876	K	94.2	Very high	91.1	Very high	133 Å²	133	67.4 Å²	67.4	58%	0.578	34%	0.337	S	S	*	.	H	α-helix	trans	-64.4	-41.9	173	-75.5	171.6	-173.7	179.9	0	111.8	S872 A873 L874 R879 N880	S872-K876 VanDerWaalsContact O-CG 3.26Å; S872-K876 WeakPolarHBondContact O-CG 3.32Å; S872-K876 PolarHBondContact O-N 2.89Å; A873-K876 WeakPolarHBondContact O-CB 3.43Å; A873-K876 PolarHBondContact O-N 3.19Å; L874-K876 VanDerWaalsContact C-N 3.26Å; L874-K876 PolarHBondContact O-N 3.11Å; K876-R879 PolarHBondContact O-N 3.42Å; K876-N880 PolarHBondContact O-N 3.41Å; K876-N880 VanDerWaalsContact O-N 3.09Å
877	M	92.8	Very high	89.9	Confident	15 Å²	15	61.1 Å²	61.1	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-38.4	176.7	-63.9	179.9	-152.9	0	0	112	S848 L849 L852 A873 L874 N880 L884	S848-M877 VanDerWaalsContact O-CE 3.23Å; S848-M877 WeakPolarHBondContact O-CE 3.35Å; L849-M877 HydrophobicContact CB-SD 4.41Å; L849-M877 HydrophobicContact CD1-SD 4.17Å; L852-M877 HydrophobicContact CB-CE 4.41Å; L852-M877 HydrophobicContact CD2-CE 4.2Å; A873-M877 WeakPolarHBondContact O-CG 3.49Å; A873-M877 PolarHBondContact O-N 2.76Å; A873-M877 VanDerWaalsContact O-N 3.11Å; L874-M877 WeakPolarHBondContact O-CB 3.45Å; L874-M877 PolarHBondContact O-N 3.44Å; M877-N880 CarbonylContact O-C 3.58Å; M877-N880 PolarHBondContact O-N 3.42Å; M877-L884 HydrophobicContact CB-CD2 4.02Å; M877-L884 HydrophobicContact CB-CG 4.43Å; M877-L884 HydrophobicContact CG-CD2 4.49Å; M877-L884 HydrophobicContact SD-CD2 4.28Å
878	I	92.9	Very high	88	Confident	57 Å²	57	64.3 Å²	64.3	29%	0.292	35%	0.347	S	S	.	.	H	α-helix	trans	-65.8	-42.6	175.9	-67.2	168.7	0	0	0	111.2	I715 V718 R722 L874 D875 N880 P881	I715-I878 HydrophobicContact CD1-CB 4.23Å; I715-I878 HydrophobicContact CD1-CG1 4.04Å; I715-I878 HydrophobicContact CD1-CG2 4.25Å; V718-I878 HydrophobicContact CG1-CD1 4.08Å; V718-I878 HydrophobicContact CG1-CG1 3.61Å; R722-I878 HydrophobicContact CB-CD1 3.92Å; R722-I878 HydrophobicContact CG-CD1 3.94Å; L874-I878 WeakPolarHBondContact O-CG1 3.39Å; L874-I878 PolarHBondContact O-N 2.7Å; D875-I878 PolarHBondContact O-N 2.88Å; I878-N880 PolarHBondContact O-N 2.77Å; I878-P881 WeakPolarHBondContact O-CD 3.3Å
879	R	91.3	Very high	85.3	Confident	171 Å²	171	72.6 Å²	72.6	65%	0.645	37%	0.37	S	S	*	.	H	α-helix	trans	-69	-20.8	176.9	-74.9	-175.3	-68.1	-107.6	-4.5	113.5	D875 K876	D875-R879 WeakPolarHBondContact O-CB 3.35Å; D875-R879 WeakPolarHBondContact O-CG 3.49Å; D875-R879 PolarHBondContact O-N 2.7Å; D875-R879 PolarHBondContact O-NE 2.87Å; K876-R879 PolarHBondContact O-N 3.42Å
880	N	89.1	Confident	82.6	Confident	89 Å²	89	74.9 Å²	74.9	48%	0.476	38%	0.381	S	S	.	.			trans	-126.1	74.9	176	-174.9	11.2	0	0	0	111.9	K876 M877 I878 A882 S883	K876-N880 PolarHBondContact O-N 3.41Å; K876-N880 VanDerWaalsContact O-N 3.09Å; M877-N880 CarbonylContact O-C 3.58Å; M877-N880 PolarHBondContact O-N 3.42Å; I878-N880 PolarHBondContact O-N 2.77Å; N880-A882 PolarHBondContact O-N 2.67Å; N880-S883 PolarHBondContact O-N 2.78Å; N880-S883 PolarHBondContact O-OG 3.45Å
881	P	83.1	Confident	79.4	Confident	69 Å²	69	81.4 Å²	81.4	45%	0.448	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-59.6	-17.6	-177.8	-24.5	34.5	0	0	0	114.6	I878 S883 L884	I878-P881 WeakPolarHBondContact O-CD 3.3Å; P881-S883 VanDerWaalsContact C-N 3.28Å; P881-S883 PolarHBondContact O-N 2.91Å; P881-L884 WeakPolarHBondContact O-CB 3.37Å; P881-L884 PolarHBondContact O-N 3.04Å
882	A	79.5	Confident	76.4	Confident	60 Å²	60	85.4 Å²	85.4	50%	0.496	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-65	-31.6	175.3	0	0	0	0	0	112.3	N880 L884 K885	N880-A882 PolarHBondContact O-N 2.67Å; A882-L884 PolarHBondContact O-N 3.21Å; A882-K885 PolarHBondContact O-N 2.87Å; A882-K885 VanDerWaalsContact O-N 3.15Å
883	S	79.9	Confident	72.9	Confident	25 Å²	25	86.8 Å²	86.8	18%	0.175	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-66.6	-24.4	176	70.5	0	0	0	0	112.4	N880 P881 K885 I886	N880-S883 PolarHBondContact O-N 2.78Å; N880-S883 PolarHBondContact O-OG 3.45Å; P881-S883 VanDerWaalsContact C-N 3.28Å; P881-S883 PolarHBondContact O-N 2.91Å; S883-K885 PolarHBondContact O-N 3.03Å; S883-I886 PolarHBondContact O-N 2.85Å
884	L	83.6	Confident	69.6	Low	14 Å²	14	90.3 Å²	90.3	7%	0.073	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-77	-8	176.9	-62.7	174.3	0	0	0	113.3	V714 I715 V718 P846 M877 P881 A882	V714-L884 HydrophobicContact CG1-CB 4.17Å; V714-L884 HydrophobicContact CG1-CD1 4.4Å; V714-L884 HydrophobicContact CG1-CD2 4.22Å; I715-L884 HydrophobicContact CB-CD1 4.41Å; I715-L884 HydrophobicContact CD1-CD1 3.66Å; V718-L884 HydrophobicContact CG2-CD1 4.2Å; V718-L884 HydrophobicContact CG2-CD2 3.94Å; P846-L884 HydrophobicContact CB-CD2 4.13Å; P846-L884 HydrophobicContact CG-CB 4.26Å; P846-L884 HydrophobicContact CG-CD2 3.93Å; P846-L884 WeakPolarHBondContact CG-O 3.39Å; M877-L884 HydrophobicContact CB-CD2 4.02Å; M877-L884 HydrophobicContact CB-CG 4.43Å; M877-L884 HydrophobicContact CG-CD2 4.49Å; M877-L884 HydrophobicContact SD-CD2 4.28Å; P881-L884 WeakPolarHBondContact O-CB 3.37Å; P881-L884 PolarHBondContact O-N 3.04Å; A882-L884 PolarHBondContact O-N 3.21Å
885	K	78.6	Confident	66.4	Low	179 Å²	179	96 Å²	96	78%	0.778	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-90	-12.1	174.5	-62.7	-175.3	178.7	-178	0	113.1	A882 S883 V887	A882-K885 PolarHBondContact O-N 2.87Å; A882-K885 VanDerWaalsContact O-N 3.15Å; S883-K885 PolarHBondContact O-N 3.03Å; K885-V887 PolarHBondContact O-N 2.79Å
886	I	75.4	Confident	63.4	Low	110 Å²	110	102.1 Å²	102.1	56%	0.564	58%	0.576	S	S	*	*			trans	-84	97.7	-179.6	-54.7	174.4	0	0	0	107.6	T847 S883	T847-I886 PolarHBondContact N-O 2.98Å; T847-I886 PolarHBondContact OG1-O 3.06Å; S883-I886 PolarHBondContact O-N 2.85Å
887	V	72.1	Confident	60.4	Low	67 Å²	67	101.9 Å²	101.9	41%	0.406	59%	0.588	S	S	.	*	B	Isolated β-bridge	trans	-96.8	136.8	169.9	-177.3	0	0	0	0	107.5	K885 R889	K885-V887 PolarHBondContact O-N 2.79Å; V887-R889 PolarHBondContact O-N 2.66Å; V887-R889 VanDerWaalsContact O-N 3.1Å
888	A	57	Low	57.8	Low	70 Å²	70	109 Å²	109	58%	0.579	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-60	116.9	-177.9	0	0	0	0	0	110.2	T847	T847-A888 HydrophobicContact CG2-CB 4.46Å; T847-A888 WeakPolarHBondContact OG1-CA 3.14Å; T847-A888 PolarHBondContact OG1-N 3.49Å
889	R	41.3	Very low	55.1	Low	241 Å²	241	113.4 Å²	113.4	91%	0.909	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-79.9	127.3	163.1	-96.4	178.3	151.7	174.5	-6.5	107.8	V887 N891	V887-R889 PolarHBondContact O-N 2.66Å; V887-R889 VanDerWaalsContact O-N 3.1Å; R889-N891 PolarHBondContact O-N 2.84Å
890	E	39.8	Very low	52.1	Low	161 Å²	161	112 Å²	112	75%	0.752	65%	0.654	S	S	*	*	S	Bend	trans	-51.8	108.4	173.9	-70.1	179.7	156.7	0	0	111
891	N	31.2	Very low	49.7	Very low	137 Å²	137	113 Å²	113	73%	0.733	66%	0.656	S	S	*	*			trans	-173.9	121.4	146.3	-97.3	-22.9	0	0	0	111.8	R889	R889-N891 PolarHBondContact O-N 2.84Å
892	G	35.1	Very low	47.4	Very low	88 Å²	88	118.2 Å²	118.2	91%	0.907	67%	0.667	S	S	*	*			trans	104.5	90.1	142.6	0	0	0	0	0	118.3
893	G	25.3	Very low	45.5	Very low	77 Å²	77	121.6 Å²	121.6	79%	0.794	67%	0.672	S	S	*	*	S	Bend	trans	170.7	109.2	159.2	0	0	0	0	0	115.3
894	A	26.3	Very low	44	Very low	99 Å²	99	123.3 Å²	123.3	82%	0.818	68%	0.683	S	S	*	*			trans	55.4	95.1	170.7	0	0	0	0	0	118	H896	A894-H896 PolarHBondContact O-N 2.84Å
895	S	31.1	Very low	42.4	Very low	121 Å²	121	127.3 Å²	127.3	85%	0.846	70%	0.701	S	S	*	*			trans	-53.6	114	170.2	43	0	0	0	0	113.7
896	H	32.3	Very low	41.4	Very low	162 Å²	162	122 Å²	122	75%	0.75	68%	0.676	S	S	*	*			trans	-104.9	132.8	151.7	-91.1	-76	0	0	0	109.2	A894 L898	A894-H896 PolarHBondContact O-N 2.84Å; H896-L898 PolarHBondContact O-N 2.81Å
897	P	30.1	Very low	40.5	Very low	128 Å²	128	121.2 Å²	121.2	83%	0.831	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	26.8	-165.2	-12	30.2	0	0	0	115.3
898	L	39.6	Very low	39.8	Very low	163 Å²	163	120.9 Å²	120.9	85%	0.853	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-3.1	-175.8	-80.2	167.5	0	0	0	114.6	H896	H896-L898 PolarHBondContact O-N 2.81Å
899	L	36.1	Very low	40.6	Very low	150 Å²	150	119.1 Å²	119.1	79%	0.785	66%	0.664	S	S	*	*			trans	-146.4	43.9	-178.7	-74.1	172	0	0	0	113.3	Q901	L899-Q901 PolarHBondContact O-N 3.44Å
900	D	27.1	Very low	42	Very low	143 Å²	143	111.2 Å²	111.2	77%	0.765	66%	0.657	S	S	*	*			trans	-84.7	104.1	160.7	-162.3	4.2	0	0	0	108.5
901	Q	38.4	Very low	44.2	Very low	110 Å²	110	105.8 Å²	105.8	51%	0.514	64%	0.638	S	S	.	*			trans	-135.4	73.1	164.3	-82.1	-167.9	-2	0	0	109.2	L899 Q903 A918	L899-Q901 PolarHBondContact O-N 3.44Å; Q901-Q903 PolarHBondContact O-N 2.71Å; Q901-A918 PolarHBondContact OE1-O 3.33Å
902	R	35.8	Very low	46.8	Very low	178 Å²	178	99.6 Å²	99.6	67%	0.672	61%	0.605	S	S	*	*			trans	-53.5	118.8	139.7	-79	178.9	172.4	173.1	-0	106.6	P904	R902-P904 WeakPolarHBondContact O-CD 3.45Å
903	Q	39.6	Very low	49	Very low	130 Å²	130	95.9 Å²	95.9	61%	0.607	57%	0.566	S	S	*	*			trans	-56.2	114.5	171.3	-93.2	-176.2	10.4	0	0	108.1	Q901	Q901-Q903 PolarHBondContact O-N 2.71Å
904	P	47.3	Very low	51.6	Low	61 Å²	61	96.1 Å²	96.1	40%	0.396	55%	0.546	S	S	.	.			trans	-75.4	154.9	176	35.6	-35.5	0	0	0	108.8	R902 A908 F909	R902-P904 WeakPolarHBondContact O-CD 3.45Å; P904-A908 HydrophobicContact CB-CB 3.59Å; P904-A908 HydrophobicContact CG-CB 4.11Å; P904-F909 HydrophobicContact CG-CD1 4.46Å; P904-F909 HydrophobicContact CG-CE1 3.59Å; P904-F909 HydrophobicContact CG-CE2 4.22Å; P904-F909 HydrophobicContact CG-CZ 3.46Å; P904-F909 VanDerWaalsContact CG-CZ 3.46Å
905	H	50.3	Low	54.6	Low	99 Å²	99	91.6 Å²	91.6	46%	0.458	51%	0.508	S	S	.	.			trans	-49.6	146.8	175.9	-159.8	-101.5	0	0	0	110	S907 A908	H905-S907 PolarHBondContact ND1-OG 3.46Å; H905-S907 PolarHBondContact O-N 3Å; H905-A908 WeakPolarHBondContact O-CA 3.44Å; H905-A908 WeakPolarHBondContact O-CB 3.44Å; H905-A908 PolarHBondContact O-N 2.78Å
906	Y	57.5	Low	56.9	Low	67 Å²	67	85.8 Å²	85.8	26%	0.263	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-60.2	-19.5	-178.7	59.4	-88.8	0	0	0	113.1	A908 F909 M968 Q971	Y906-A908 PolarHBondContact O-N 3.03Å; Y906-F909 PolarHBondContact O-N 3.38Å; Y906-M968 HydrophobicContact CD1-CG 4.04Å; Y906-M968 HydrophobicContact CG-CG 3.9Å; Y906-Q971 HydrophobicContact CE1-CB 3.83Å
907	S	56.8	Low	59	Low	93 Å²	93	84 Å²	84	65%	0.65	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-71.2	-5.3	169.9	66.6	0	0	0	0	114.8	H905	H905-S907 PolarHBondContact ND1-OG 3.46Å; H905-S907 PolarHBondContact O-N 3Å
908	A	58	Low	60.7	Low	61 Å²	61	79 Å²	79	50%	0.504	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-94	-8.1	177.4	0	0	0	0	0	113.1	P904 H905 Y906	P904-A908 HydrophobicContact CB-CB 3.59Å; P904-A908 HydrophobicContact CG-CB 4.11Å; H905-A908 WeakPolarHBondContact O-CA 3.44Å; H905-A908 WeakPolarHBondContact O-CB 3.44Å; H905-A908 PolarHBondContact O-N 2.78Å; Y906-A908 PolarHBondContact O-N 3.03Å
909	F	72.6	Confident	62.3	Low	33 Å²	33	71.7 Å²	71.7	15%	0.145	39%	0.385	C	S	.	.			trans	-98.9	129.1	175.1	-54.3	-65.3	0	0	0	109.5	P904 Y906 S911 E914 W915 A918 F936	P904-F909 HydrophobicContact CG-CD1 4.46Å; P904-F909 HydrophobicContact CG-CE1 3.59Å; P904-F909 HydrophobicContact CG-CE2 4.22Å; P904-F909 HydrophobicContact CG-CZ 3.46Å; P904-F909 VanDerWaalsContact CG-CZ 3.46Å; Y906-F909 PolarHBondContact O-N 3.38Å; F909-S911 VanDerWaalsContact C-N 3.3Å; F909-S911 PolarHBondContact O-N 2.87Å; F909-E914 HydrophobicContact CD1-CG 4.38Å; F909-W915 HydrophobicContact CB-CB 4.31Å; F909-W915 HydrophobicContact CD2-CB 4.1Å; F909-W915 HydrophobicContact CG-CB 4.14Å; F909-A918 HydrophobicContact CD1-CB 4.3Å; F909-A918 HydrophobicContact CE1-CB 3.46Å; F909-A918 VanDerWaalsContact CE1-CB 3.46Å; F909-A918 HydrophobicContact CZ-CB 3.8Å; F909-F936 HydrophobicContact CB-CE2 4.19Å; F909-F936 HydrophobicContact CB-CZ 3.69Å
910	G	72.4	Confident	63.6	Low	74 Å²	74	71.5 Å²	71.5	76%	0.763	38%	0.378	S	S	*	.	S	Bend	trans	-78.4	-12.8	-179.5	0	0	0	0	0	113.9	E914	G910-E914 PolarHBondContact N-OE2 3.41Å
911	S	84.8	Confident	66.2	Low	48 Å²	48	65 Å²	65	34%	0.336	34%	0.343	S	S	.	.	S	Bend	trans	-158.3	161.3	-178.8	65	0	0	0	0	112.9	F909 G913 E914 W915 F936	F909-S911 VanDerWaalsContact C-N 3.3Å; F909-S911 PolarHBondContact O-N 2.87Å; S911-G913 VanDerWaalsContact C-N 3.25Å; S911-G913 PolarHBondContact O-N 2.86Å; S911-E914 PolarHBondContact O-N 3.39Å; S911-E914 WeakPolarHBondContact OG-CB 3.25Å; S911-E914 PolarHBondContact OG-N 3.5Å; S911-W915 PolarHBondContact O-N 2.85Å; S911-W915 VanDerWaalsContact O-N 3.13Å; S911-F936 VanDerWaalsContact O-CZ 3.31Å; S911-F936 WeakPolarHBondContact O-CZ 3.36Å
912	V	86.5	Confident	67.6	Low	7 Å²	7	60.8 Å²	60.8	4%	0.042	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-36.2	172.2	173.8	0	0	0	0	111.6	E914 W915 L916 F928 F933 G934 F936 V939	V912-E914 PolarHBondContact O-N 2.78Å; V912-W915 HydrophobicContact CG1-CE3 3.89Å; V912-W915 HydrophobicContact CG1-CZ3 4.12Å; V912-W915 PolarHBondContact O-N 3.4Å; V912-L916 HydrophobicContact CG1-CD1 4.03Å; V912-L916 HydrophobicContact CG1-CG 4.29Å; V912-L916 WeakPolarHBondContact O-CB 3.31Å; V912-L916 WeakPolarHBondContact O-CG 3.22Å; V912-L916 PolarHBondContact O-N 3.05Å; V912-F928 HydrophobicContact CG1-CB 4.41Å; V912-F928 HydrophobicContact CG1-CD1 3.98Å; V912-F933 WeakPolarHBondContact CG1-O 3.4Å; V912-G934 WeakPolarHBondContact CG2-O 3.41Å; V912-F936 HydrophobicContact CG2-CD1 4.47Å; V912-V939 HydrophobicContact CB-CG2 4.34Å; V912-V939 HydrophobicContact CG1-CG2 3.68Å; V912-V939 HydrophobicContact CG2-CG2 3.65Å
913	G	82.1	Confident	69.5	Low	9 Å²	9	60.5 Å²	60.5	9%	0.093	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-39.9	176.8	0	0	0	0	0	113.3	S911 L916 R917 E925	S911-G913 VanDerWaalsContact C-N 3.25Å; S911-G913 PolarHBondContact O-N 2.86Å; G913-L916 PolarHBondContact O-N 3.36Å; G913-R917 PolarHBondContact O-N 2.78Å; G913-E925 VanDerWaalsContact CA-CD 3.49Å; G913-E925 WeakPolarHBondContact CA-OE1 3.4Å
914	E	79.8	Confident	71.7	Confident	82 Å²	82	54.9 Å²	54.9	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-67.9	-39.1	175.6	-165.7	170.5	-145.5	0	0	112.4	F909 G910 S911 V912 R917 A918	F909-E914 HydrophobicContact CD1-CG 4.38Å; G910-E914 PolarHBondContact N-OE2 3.41Å; S911-E914 PolarHBondContact O-N 3.39Å; S911-E914 WeakPolarHBondContact OG-CB 3.25Å; S911-E914 PolarHBondContact OG-N 3.5Å; V912-E914 PolarHBondContact O-N 2.78Å; E914-R917 PolarHBondContact O-N 3.16Å; E914-A918 WeakPolarHBondContact O-CB 3.27Å; E914-A918 PolarHBondContact O-N 2.88Å
915	W	87.6	Confident	73.5	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-63.6	-45	171.1	163.1	72.9	0	0	0	112.5	F909 S911 V912 R917 A918 I919 F928 F936 V939 I961 S964 V965 M968	F909-W915 HydrophobicContact CB-CB 4.31Å; F909-W915 HydrophobicContact CD2-CB 4.1Å; F909-W915 HydrophobicContact CG-CB 4.14Å; S911-W915 PolarHBondContact O-N 2.85Å; S911-W915 VanDerWaalsContact O-N 3.13Å; V912-W915 HydrophobicContact CG1-CE3 3.89Å; V912-W915 HydrophobicContact CG1-CZ3 4.12Å; V912-W915 PolarHBondContact O-N 3.4Å; W915-R917 VanDerWaalsContact C-N 3.33Å; W915-R917 PolarHBondContact O-N 3.08Å; W915-A918 WeakPolarHBondContact O-CA 3.26Å; W915-A918 WeakPolarHBondContact O-CB 3.33Å; W915-A918 PolarHBondContact O-N 3.02Å; W915-I919 HydrophobicContact CH2-CD1 4.22Å; W915-I919 HydrophobicContact CZ2-CD1 3.76Å; W915-I919 WeakPolarHBondContact O-CG1 3.48Å; W915-I919 PolarHBondContact O-N 2.9Å; W915-F928 HydrophobicContact CZ3-CE1 4.11Å; W915-F936 HydrophobicContact CB-CE1 3.47Å; W915-F936 VanDerWaalsContact CB-CE1 3.47Å; W915-F936 HydrophobicContact CB-CZ 3.65Å; W915-F936 HydrophobicContact CD2-CE1 4.11Å; W915-F936 HydrophobicContact CE3-CE1 4.44Å; W915-F936 AromaticContact CG-CE1 3.7Å; W915-F936 HydrophobicContact CG-CE1 3.7Å; W915-F936 HydrophobicContact CG-CZ 4.37Å; W915-V939 HydrophobicContact CE3-CG1 4.18Å; W915-V939 HydrophobicContact CH2-CG1 3.37Å; W915-V939 HydrophobicContact CZ2-CG1 4.16Å; W915-V939 HydrophobicContact CZ3-CG1 3.4Å; W915-V939 VanDerWaalsContact CZ3-CG1 3.4Å; W915-V939 HydrophobicContact CZ3-CG2 4.36Å; W915-I961 HydrophobicContact CH2-CG2 3.97Å; W915-S964 PolarHBondContact NE1-OG 2.85Å; W915-V965 HydrophobicContact CH2-CG2 3.98Å; W915-V965 HydrophobicContact CZ2-CG2 4.12Å; W915-M968 HydrophobicContact CD2-CE 4.07Å; W915-M968 HydrophobicContact CH2-CE 4.11Å; W915-M968 HydrophobicContact CZ2-CE 3.36Å
916	L	79.4	Confident	74.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-44.9	176.5	-77.1	170.4	0	0	0	110.8	V912 G913 A918 I919 K920 M921 G922 E925 F928	V912-L916 HydrophobicContact CG1-CD1 4.03Å; V912-L916 HydrophobicContact CG1-CG 4.29Å; V912-L916 WeakPolarHBondContact O-CB 3.31Å; V912-L916 WeakPolarHBondContact O-CG 3.22Å; V912-L916 PolarHBondContact O-N 3.05Å; G913-L916 PolarHBondContact O-N 3.36Å; L916-A918 VanDerWaalsContact C-N 3.33Å; L916-A918 PolarHBondContact O-N 3.15Å; L916-I919 HydrophobicContact CD2-CD1 4.41Å; L916-I919 WeakPolarHBondContact O-CG1 3.29Å; L916-I919 PolarHBondContact O-N 2.87Å; L916-K920 PolarHBondContact O-N 2.81Å; L916-M921 HydrophobicContact CD2-CB 3.91Å; L916-M921 CarbonylContact O-C 3.57Å; L916-M921 VanDerWaalsContact O-C 3.26Å; L916-M921 VanDerWaalsContact O-CA 3.3Å; L916-M921 WeakPolarHBondContact O-CA 3.46Å; L916-M921 PolarHBondContact O-N 2.75Å; L916-G922 PolarHBondContact O-N 2.79Å; L916-E925 HydrophobicContact CD1-CB 4.45Å; L916-F928 HydrophobicContact CD1-CB 3.87Å; L916-F928 HydrophobicContact CD1-CD1 4.17Å; L916-F928 HydrophobicContact CD1-CD2 3.89Å; L916-F928 HydrophobicContact CD1-CE2 4.48Å; L916-F928 HydrophobicContact CD1-CG 3.71Å; L916-F928 HydrophobicContact CD2-CD2 4.37Å; L916-F928 HydrophobicContact CD2-CE1 4.44Å; L916-F928 HydrophobicContact CD2-CE2 4.15Å; L916-F928 HydrophobicContact CD2-CZ 4.19Å
917	R	78.1	Confident	76.2	Confident	125 Å²	125	57.4 Å²	57.4	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-60.3	-41.8	172.9	-79.2	-178.1	-84.6	113.5	-3.5	112	G913 E914 W915 K920 E925	G913-R917 PolarHBondContact O-N 2.78Å; E914-R917 PolarHBondContact O-N 3.16Å; W915-R917 VanDerWaalsContact C-N 3.33Å; W915-R917 PolarHBondContact O-N 3.08Å; R917-K920 WeakPolarHBondContact O-CA 3.2Å; R917-K920 PolarHBondContact O-N 3.03Å; R917-E925 IonicContact NE-OE1 3.43Å; R917-E925 IonicContact NE-OE2 3.63Å; R917-E925 PolarHBondContact NE-OE2 3.24Å; R917-E925 VanDerWaalsContact NE-OE2 3.12Å; R917-E925 IonicContact NH2-OE1 2.69Å
918	A	65.9	Low	77.9	Confident	21 Å²	21	53 Å²	53	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-40.5	178.8	0	0	0	0	0	113.2	Q901 F909 E914 W915 L916 K920	Q901-A918 PolarHBondContact OE1-O 3.33Å; F909-A918 HydrophobicContact CD1-CB 4.3Å; F909-A918 HydrophobicContact CE1-CB 3.46Å; F909-A918 VanDerWaalsContact CE1-CB 3.46Å; F909-A918 HydrophobicContact CZ-CB 3.8Å; E914-A918 WeakPolarHBondContact O-CB 3.27Å; E914-A918 PolarHBondContact O-N 2.88Å; W915-A918 WeakPolarHBondContact O-CA 3.26Å; W915-A918 WeakPolarHBondContact O-CB 3.33Å; W915-A918 PolarHBondContact O-N 3.02Å; L916-A918 VanDerWaalsContact C-N 3.33Å; L916-A918 PolarHBondContact O-N 3.15Å; A918-K920 PolarHBondContact O-N 2.87Å
919	I	72.4	Confident	79.2	Confident	10 Å²	10	53.4 Å²	53.4	5%	0.051	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	10.8	174.5	66.1	167.6	0	0	0	113.3	W915 L916 M921 K960 I961	W915-I919 HydrophobicContact CH2-CD1 4.22Å; W915-I919 HydrophobicContact CZ2-CD1 3.76Å; W915-I919 WeakPolarHBondContact O-CG1 3.48Å; W915-I919 PolarHBondContact O-N 2.9Å; L916-I919 HydrophobicContact CD2-CD1 4.41Å; L916-I919 WeakPolarHBondContact O-CG1 3.29Å; L916-I919 PolarHBondContact O-N 2.87Å; I919-M921 VanDerWaalsContact C-N 3.25Å; I919-M921 HydrophobicContact CD1-CB 3.95Å; I919-M921 HydrophobicContact CD1-CG 3.7Å; I919-M921 HydrophobicContact CG1-CB 3.78Å; I919-M921 HydrophobicContact CG1-CG 3.7Å; I919-M921 PolarHBondContact O-N 3.35Å; I919-K960 WeakPolarHBondContact O-CE 3.42Å; I919-K960 PolarHBondContact O-NZ 3.16Å; I919-I961 HydrophobicContact CD1-CG1 4.04Å
920	K	62.5	Low	79.6	Confident	146 Å²	146	56.3 Å²	56.3	64%	0.635	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	32.4	-175.6	-51.6	-176.2	177.5	-179.4	0	113.7	L916 R917 A918	L916-K920 PolarHBondContact O-N 2.81Å; R917-K920 WeakPolarHBondContact O-CA 3.2Å; R917-K920 PolarHBondContact O-N 3.03Å; A918-K920 PolarHBondContact O-N 2.87Å
921	M	81.9	Confident	80.2	Confident	7 Å²	7	55 Å²	55	3%	0.034	30%	0.3	C	S	.	.			trans	-114	18.1	175.5	-62	-70.6	107.2	0	0	112	L916 I919 R923 Y924 H957 K960 I961	L916-M921 HydrophobicContact CD2-CB 3.91Å; L916-M921 CarbonylContact O-C 3.57Å; L916-M921 VanDerWaalsContact O-C 3.26Å; L916-M921 VanDerWaalsContact O-CA 3.3Å; L916-M921 WeakPolarHBondContact O-CA 3.46Å; L916-M921 PolarHBondContact O-N 2.75Å; I919-M921 VanDerWaalsContact C-N 3.25Å; I919-M921 HydrophobicContact CD1-CB 3.95Å; I919-M921 HydrophobicContact CD1-CG 3.7Å; I919-M921 HydrophobicContact CG1-CB 3.78Å; I919-M921 HydrophobicContact CG1-CG 3.7Å; I919-M921 PolarHBondContact O-N 3.35Å; M921-R923 PolarHBondContact O-N 2.95Å; M921-Y924 HydrophobicContact CB-CD2 4.1Å; M921-Y924 WeakPolarHBondContact O-CD2 3.31Å; M921-Y924 PolarHBondContact O-N 3.42Å; M921-Y924 HydrophobicContact SD-CD2 4.29Å; M921-Y924 HydrophobicContact SD-CE2 4Å; M921-H957 HydrophobicContact SD-CB 3.77Å; M921-K960 HydrophobicContact CE-CD 3.71Å; M921-K960 HydrophobicContact CG-CD 4.42Å; M921-K960 HydrophobicContact SD-CD 4.34Å; M921-I961 HydrophobicContact CB-CD1 4.27Å; M921-I961 HydrophobicContact CB-CG1 4.22Å; M921-I961 HydrophobicContact CG-CD1 4.11Å; M921-I961 HydrophobicContact CG-CG1 3.7Å; M921-I961 HydrophobicContact SD-CD1 4.17Å; M921-I961 HydrophobicContact SD-CG1 4.08Å
922	G	69.3	Low	80.2	Confident	22 Å²	22	54.9 Å²	54.9	23%	0.227	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-58	-21.7	-176.3	0	0	0	0	0	114.8	L916 Y924 E925	L916-G922 PolarHBondContact O-N 2.79Å; G922-Y924 PolarHBondContact O-N 3.02Å; G922-Y924 VanDerWaalsContact O-N 3.08Å; G922-E925 WeakPolarHBondContact O-CB 3.4Å; G922-E925 PolarHBondContact O-N 2.97Å
923	R	75.3	Confident	80.3	Confident	172 Å²	172	55.6 Å²	55.6	65%	0.649	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59.9	-17.3	172.7	69.6	179.7	-65.9	175.7	-0.3	114.3	M921	M921-R923 PolarHBondContact O-N 2.95Å
924	Y	85	Confident	80.3	Confident	11 Å²	11	58 Å²	58	4%	0.043	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-99.5	6.7	178.8	-57.7	-65.1	0	0	0	112.8	M921 G922 E926 S927 F928 V952 H957 I961	M921-Y924 HydrophobicContact CB-CD2 4.1Å; M921-Y924 WeakPolarHBondContact O-CD2 3.31Å; M921-Y924 PolarHBondContact O-N 3.42Å; M921-Y924 HydrophobicContact SD-CD2 4.29Å; M921-Y924 HydrophobicContact SD-CE2 4Å; G922-Y924 PolarHBondContact O-N 3.02Å; G922-Y924 VanDerWaalsContact O-N 3.08Å; Y924-E926 PolarHBondContact O-N 3.17Å; Y924-S927 WeakPolarHBondContact O-CB 3.48Å; Y924-S927 PolarHBondContact O-N 3.25Å; Y924-S927 VanDerWaalsContact O-N 3.14Å; Y924-F928 VanDerWaalsContact O-CD2 3.32Å; Y924-F928 WeakPolarHBondContact O-CD2 3.24Å; Y924-F928 PolarHBondContact O-N 2.84Å; Y924-V952 HydrophobicContact CD1-CG2 3.72Å; Y924-V952 HydrophobicContact CD2-CG2 4.23Å; Y924-V952 HydrophobicContact CE1-CB 4.29Å; Y924-V952 HydrophobicContact CE1-CG1 4.39Å; Y924-V952 HydrophobicContact CE1-CG2 3.87Å; Y924-V952 HydrophobicContact CE2-CG1 4.16Å; Y924-V952 HydrophobicContact CE2-CG2 4.38Å; Y924-V952 HydrophobicContact CG-CG2 3.9Å; Y924-H957 HydrophobicContact CE2-CB 4.13Å; Y924-H957 AromaticContact CE2-ND1 3.53Å; Y924-H957 AromaticContact CZ-ND1 3.58Å; Y924-H957 PolarHBondContact OH-ND1 3Å; Y924-I961 HydrophobicContact CD2-CD1 4.22Å
925	E	84.9	Confident	80.6	Confident	71 Å²	71	56.3 Å²	56.3	33%	0.332	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-47.9	-178.4	-177.7	164.6	-171.6	0	0	111.8	G913 L916 R917 G922 S927 F928 A929	G913-E925 VanDerWaalsContact CA-CD 3.49Å; G913-E925 WeakPolarHBondContact CA-OE1 3.4Å; L916-E925 HydrophobicContact CD1-CB 4.45Å; R917-E925 IonicContact NE-OE1 3.43Å; R917-E925 IonicContact NE-OE2 3.63Å; R917-E925 PolarHBondContact NE-OE2 3.24Å; R917-E925 VanDerWaalsContact NE-OE2 3.12Å; R917-E925 IonicContact NH2-OE1 2.69Å; G922-E925 WeakPolarHBondContact O-CB 3.4Å; G922-E925 PolarHBondContact O-N 2.97Å; E925-S927 PolarHBondContact O-N 3.14Å; E925-F928 PolarHBondContact O-N 2.88Å; E925-A929 WeakPolarHBondContact O-CB 3.19Å; E925-A929 PolarHBondContact O-N 2.89Å
926	E	79.9	Confident	80.4	Confident	170 Å²	170	58 Å²	58	79%	0.794	34%	0.338	S	S	*	.	H	α-helix	trans	-65.3	-37.7	175.2	-68.5	-174.3	176.1	0	0	112.3	Y924 A929 A930	Y924-E926 PolarHBondContact O-N 3.17Å; E926-A929 PolarHBondContact O-N 2.81Å; E926-A930 WeakPolarHBondContact O-CB 3.43Å; E926-A930 PolarHBondContact O-N 2.97Å
927	S	85.8	Confident	80.5	Confident	40 Å²	40	64.9 Å²	64.9	28%	0.28	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-42.6	178.5	-56	0	0	0	0	112.5	Y924 E925 A931 I950	Y924-S927 WeakPolarHBondContact O-CB 3.48Å; Y924-S927 PolarHBondContact O-N 3.25Å; Y924-S927 VanDerWaalsContact O-N 3.14Å; E925-S927 PolarHBondContact O-N 3.14Å; S927-A931 VanDerWaalsContact O-CB 3.26Å; S927-A931 WeakPolarHBondContact O-CB 3.45Å; S927-A931 PolarHBondContact O-N 2.93Å; S927-A931 VanDerWaalsContact O-N 3.13Å; S927-I950 VanDerWaalsContact CB-O 3.3Å; S927-I950 WeakPolarHBondContact CB-O 3.4Å
928	F	91.5	Very high	80.8	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	37%	0.367	C	S	.	.	H	α-helix	trans	-68.7	-41.4	175.9	-88.3	-115	0	0	0	111.3	V912 W915 L916 Y924 E925 A931 G932 F933 V939 I942 L947 I950 V952 I961	V912-F928 HydrophobicContact CG1-CB 4.41Å; V912-F928 HydrophobicContact CG1-CD1 3.98Å; W915-F928 HydrophobicContact CZ3-CE1 4.11Å; L916-F928 HydrophobicContact CD1-CB 3.87Å; L916-F928 HydrophobicContact CD1-CD1 4.17Å; L916-F928 HydrophobicContact CD1-CD2 3.89Å; L916-F928 HydrophobicContact CD1-CE2 4.48Å; L916-F928 HydrophobicContact CD1-CG 3.71Å; L916-F928 HydrophobicContact CD2-CD2 4.37Å; L916-F928 HydrophobicContact CD2-CE1 4.44Å; L916-F928 HydrophobicContact CD2-CE2 4.15Å; L916-F928 HydrophobicContact CD2-CZ 4.19Å; Y924-F928 VanDerWaalsContact O-CD2 3.32Å; Y924-F928 WeakPolarHBondContact O-CD2 3.24Å; Y924-F928 PolarHBondContact O-N 2.84Å; E925-F928 PolarHBondContact O-N 2.88Å; F928-A931 PolarHBondContact O-N 3.09Å; F928-G932 PolarHBondContact O-N 3.41Å; F928-F933 HydrophobicContact CB-CB 4.26Å; F928-F933 HydrophobicContact CD1-CB 3.7Å; F928-F933 HydrophobicContact CD1-CG 4.38Å; F928-F933 HydrophobicContact CE1-CB 4.5Å; F928-F933 HydrophobicContact CG-CB 4.32Å; F928-F933 PolarHBondContact O-N 2.85Å; F928-V939 HydrophobicContact CD1-CG2 4.15Å; F928-V939 HydrophobicContact CE1-CG2 4.29Å; F928-I942 HydrophobicContact CD1-CD1 4.46Å; F928-I942 HydrophobicContact CE1-CD1 3.65Å; F928-I942 HydrophobicContact CZ-CD1 3.88Å; F928-L947 HydrophobicContact CE2-CD2 4.13Å; F928-L947 HydrophobicContact CZ-CD2 3.57Å; F928-I950 HydrophobicContact CD1-CD1 4.47Å; F928-I950 HydrophobicContact CD2-CD1 3.58Å; F928-I950 HydrophobicContact CE1-CD1 4.3Å; F928-I950 HydrophobicContact CE2-CD1 3.39Å; F928-I950 HydrophobicContact CE2-CG1 4.43Å; F928-I950 HydrophobicContact CG-CD1 4.13Å; F928-I950 HydrophobicContact CZ-CD1 3.78Å; F928-V952 HydrophobicContact CE2-CG2 4.25Å; F928-I961 HydrophobicContact CE2-CD1 4.3Å; F928-I961 HydrophobicContact CZ-CD1 4.28Å; F928-I961 HydrophobicContact CZ-CG2 4.03Å
929	A	84.9	Confident	81.8	Confident	69 Å²	69	61.7 Å²	61.7	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-64.4	-46	176.8	0	0	0	0	0	112.1	E925 E926 A931 G932	E925-A929 WeakPolarHBondContact O-CB 3.19Å; E925-A929 PolarHBondContact O-N 2.89Å; E926-A929 PolarHBondContact O-N 2.81Å; A929-A931 VanDerWaalsContact C-N 3.28Å; A929-A931 PolarHBondContact O-N 3.45Å; A929-G932 PolarHBondContact O-N 2.91Å; A929-G932 VanDerWaalsContact O-N 3.16Å
930	A	82.2	Confident	82.3	Confident	93 Å²	93	62.6 Å²	62.6	77%	0.769	37%	0.366	S	S	*	.	H	α-helix	trans	-64.9	-31.4	179	0	0	0	0	0	112.9	E926 G932	E926-A930 WeakPolarHBondContact O-CB 3.43Å; E926-A930 PolarHBondContact O-N 2.97Å; A930-G932 VanDerWaalsContact C-N 3.31Å
931	A	84.9	Confident	83.3	Confident	47 Å²	47	62 Å²	62	39%	0.388	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.1	177.1	0	0	0	0	0	114.3	S927 F928 A929 F933 I950	S927-A931 VanDerWaalsContact O-CB 3.26Å; S927-A931 WeakPolarHBondContact O-CB 3.45Å; S927-A931 PolarHBondContact O-N 2.93Å; S927-A931 VanDerWaalsContact O-N 3.13Å; F928-A931 PolarHBondContact O-N 3.09Å; A929-A931 VanDerWaalsContact C-N 3.28Å; A929-A931 PolarHBondContact O-N 3.45Å; A931-F933 HydrophobicContact CB-CD2 3.84Å; A931-F933 HydrophobicContact CB-CE2 4.12Å; A931-I950 HydrophobicContact CB-CB 4.15Å; A931-I950 HydrophobicContact CB-CG2 3.25Å
932	G	85.3	Confident	83.7	Confident	46 Å²	46	61.9 Å²	61.9	47%	0.474	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	8.8	177.4	0	0	0	0	0	115.2	F928 A929 A930 G934 L938	F928-G932 PolarHBondContact O-N 3.41Å; A929-G932 PolarHBondContact O-N 2.91Å; A929-G932 VanDerWaalsContact O-N 3.16Å; A930-G932 VanDerWaalsContact C-N 3.31Å; G932-G934 PolarHBondContact O-N 2.86Å; G932-L938 WeakPolarHBondContact O-CD1 3.27Å
933	F	88.1	Confident	84.5	Confident	22 Å²	22	63 Å²	63	10%	0.096	37%	0.37	C	S	.	.			trans	-81.7	55.6	174.6	-67	-72.3	0	0	0	111.6	V912 F928 A931 L938 V939 I942 D946 I950	V912-F933 WeakPolarHBondContact CG1-O 3.4Å; F928-F933 HydrophobicContact CB-CB 4.26Å; F928-F933 HydrophobicContact CD1-CB 3.7Å; F928-F933 HydrophobicContact CD1-CG 4.38Å; F928-F933 HydrophobicContact CE1-CB 4.5Å; F928-F933 HydrophobicContact CG-CB 4.32Å; F928-F933 PolarHBondContact O-N 2.85Å; A931-F933 HydrophobicContact CB-CD2 3.84Å; A931-F933 HydrophobicContact CB-CE2 4.12Å; F933-L938 HydrophobicContact CD1-CB 4.11Å; F933-V939 HydrophobicContact CB-CG2 4.03Å; F933-I942 HydrophobicContact CD1-CD1 4.01Å; F933-I942 HydrophobicContact CD1-CG1 4.42Å; F933-I942 HydrophobicContact CD2-CD1 3.91Å; F933-I942 HydrophobicContact CE1-CB 4.19Å; F933-I942 HydrophobicContact CE1-CD1 3.9Å; F933-I942 HydrophobicContact CE1-CG1 3.87Å; F933-I942 HydrophobicContact CE2-CD1 3.8Å; F933-I942 HydrophobicContact CE2-CG1 4.25Å; F933-I942 HydrophobicContact CG-CD1 4.03Å; F933-I942 HydrophobicContact CZ-CD1 3.79Å; F933-I942 HydrophobicContact CZ-CG1 3.78Å; F933-D946 HydrophobicContact CZ-CB 4.14Å; F933-I950 HydrophobicContact CD2-CD1 4.22Å; F933-I950 HydrophobicContact CD2-CG2 4.4Å; F933-I950 HydrophobicContact CE2-CD1 4.37Å; F933-I950 HydrophobicContact CE2-CG2 4.04Å
934	G	82.1	Confident	84.7	Confident	58 Å²	58	57 Å²	57	60%	0.598	36%	0.357	S	S	*	.			trans	-85.7	-11.7	-176.1	0	0	0	0	0	115.3	V912 G932	V912-G934 WeakPolarHBondContact CG2-O 3.41Å; G932-G934 PolarHBondContact O-N 2.86Å
935	S	84.6	Confident	84.5	Confident	47 Å²	47	63.9 Å²	63.9	33%	0.329	39%	0.389	S	S	.	.	S	Bend	trans	-123.8	151.1	-178.9	74.1	0	0	0	0	112.2	E937 L938 V939	S935-E937 PolarHBondContact O-N 3.21Å; S935-L938 PolarHBondContact O-N 3.22Å; S935-L938 WeakPolarHBondContact OG-CG 3.16Å; S935-L938 PolarHBondContact OG-N 2.81Å; S935-V939 WeakPolarHBondContact O-CG2 3.25Å; S935-V939 PolarHBondContact O-N 3.15Å
936	F	83.9	Confident	84.5	Confident	41 Å²	41	62.2 Å²	62.2	18%	0.18	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-25.8	177.5	-72	-68.9	0	0	0	113.4	F909 S911 V912 W915 S940 M968	F909-F936 HydrophobicContact CB-CE2 4.19Å; F909-F936 HydrophobicContact CB-CZ 3.69Å; S911-F936 VanDerWaalsContact O-CZ 3.31Å; S911-F936 WeakPolarHBondContact O-CZ 3.36Å; V912-F936 HydrophobicContact CG2-CD1 4.47Å; W915-F936 HydrophobicContact CB-CE1 3.47Å; W915-F936 VanDerWaalsContact CB-CE1 3.47Å; W915-F936 HydrophobicContact CB-CZ 3.65Å; W915-F936 HydrophobicContact CD2-CE1 4.11Å; W915-F936 HydrophobicContact CE3-CE1 4.44Å; W915-F936 AromaticContact CG-CE1 3.7Å; W915-F936 HydrophobicContact CG-CE1 3.7Å; W915-F936 HydrophobicContact CG-CZ 4.37Å; F936-S940 VanDerWaalsContact O-CB 3.25Å; F936-S940 WeakPolarHBondContact O-CB 3.17Å; F936-S940 PolarHBondContact O-N 3.29Å; F936-M968 HydrophobicContact CB-SD 4.48Å; F936-M968 HydrophobicContact CD1-CE 4.34Å; F936-M968 HydrophobicContact CD1-SD 3.68Å; F936-M968 HydrophobicContact CE1-SD 4.42Å; F936-M968 HydrophobicContact CG-SD 4.49Å
937	E	82.4	Confident	84.8	Confident	143 Å²	143	54.1 Å²	54.1	67%	0.668	35%	0.345	S	S	*	.	H	α-helix	trans	-66.8	-44.5	174.9	-169.8	170.9	-170.1	0	0	111.5	S935 S940	S935-E937 PolarHBondContact O-N 3.21Å; E937-S940 PolarHBondContact O-N 2.85Å; E937-S940 PolarHBondContact O-OG 2.93Å
938	L	83.9	Confident	84.5	Confident	80 Å²	80	56.5 Å²	56.5	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-70.3	-42.7	176.4	-69.3	168.4	0	0	0	111.7	G932 F933 S935 S940 Q941	G932-L938 WeakPolarHBondContact O-CD1 3.27Å; F933-L938 HydrophobicContact CD1-CB 4.11Å; S935-L938 PolarHBondContact O-N 3.22Å; S935-L938 WeakPolarHBondContact OG-CG 3.16Å; S935-L938 PolarHBondContact OG-N 2.81Å; L938-S940 PolarHBondContact O-N 2.84Å; L938-Q941 PolarHBondContact O-N 3.06Å
939	V	86.4	Confident	84	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-61.6	-35.4	174.9	168.3	0	0	0	0	111.3	V912 W915 F928 F933 S935 Q941 I942 V965 M968	V912-V939 HydrophobicContact CB-CG2 4.34Å; V912-V939 HydrophobicContact CG1-CG2 3.68Å; V912-V939 HydrophobicContact CG2-CG2 3.65Å; W915-V939 HydrophobicContact CE3-CG1 4.18Å; W915-V939 HydrophobicContact CH2-CG1 3.37Å; W915-V939 HydrophobicContact CZ2-CG1 4.16Å; W915-V939 HydrophobicContact CZ3-CG1 3.4Å; W915-V939 VanDerWaalsContact CZ3-CG1 3.4Å; W915-V939 HydrophobicContact CZ3-CG2 4.36Å; F928-V939 HydrophobicContact CD1-CG2 4.15Å; F928-V939 HydrophobicContact CE1-CG2 4.29Å; F933-V939 HydrophobicContact CB-CG2 4.03Å; S935-V939 WeakPolarHBondContact O-CG2 3.25Å; S935-V939 PolarHBondContact O-N 3.15Å; V939-Q941 PolarHBondContact O-N 3.02Å; V939-Q941 VanDerWaalsContact O-N 3.17Å; V939-I942 WeakPolarHBondContact O-CB 3.47Å; V939-I942 WeakPolarHBondContact O-CG2 3.32Å; V939-I942 PolarHBondContact O-N 3.11Å; V939-V965 HydrophobicContact CG1-CG2 3.91Å; V939-M968 HydrophobicContact CG1-CE 4.12Å
940	S	83.3	Confident	84	Confident	29 Å²	29	63 Å²	63	20%	0.203	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-24.8	176.2	81	0	0	0	0	111.7	F936 E937 L938 V965 K969	F936-S940 VanDerWaalsContact O-CB 3.25Å; F936-S940 WeakPolarHBondContact O-CB 3.17Å; F936-S940 PolarHBondContact O-N 3.29Å; E937-S940 PolarHBondContact O-N 2.85Å; E937-S940 PolarHBondContact O-OG 2.93Å; L938-S940 PolarHBondContact O-N 2.84Å; S940-V965 WeakPolarHBondContact O-CG1 3.49Å; S940-K969 WeakPolarHBondContact O-CE 3.13Å; S940-K969 PolarHBondContact O-NZ 2.77Å
941	Q	84.3	Confident	83.4	Confident	133 Å²	133	60.6 Å²	60.6	62%	0.621	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.8	-177.3	-61.9	178.3	20.5	0	0	113.6	L938 V939 S943	L938-Q941 PolarHBondContact O-N 3.06Å; V939-Q941 PolarHBondContact O-N 3.02Å; V939-Q941 VanDerWaalsContact O-N 3.17Å; Q941-S943 PolarHBondContact O-N 2.74Å
942	I	88.7	Confident	83.2	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	33%	0.33	C	S	.	.			trans	-63	133.8	-173.3	-154.7	164	0	0	0	112	F928 F933 V939 D946 L947 I950 V965	F928-I942 HydrophobicContact CD1-CD1 4.46Å; F928-I942 HydrophobicContact CE1-CD1 3.65Å; F928-I942 HydrophobicContact CZ-CD1 3.88Å; F933-I942 HydrophobicContact CD1-CD1 4.01Å; F933-I942 HydrophobicContact CD1-CG1 4.42Å; F933-I942 HydrophobicContact CD2-CD1 3.91Å; F933-I942 HydrophobicContact CE1-CB 4.19Å; F933-I942 HydrophobicContact CE1-CD1 3.9Å; F933-I942 HydrophobicContact CE1-CG1 3.87Å; F933-I942 HydrophobicContact CE2-CD1 3.8Å; F933-I942 HydrophobicContact CE2-CG1 4.25Å; F933-I942 HydrophobicContact CG-CD1 4.03Å; F933-I942 HydrophobicContact CZ-CD1 3.79Å; F933-I942 HydrophobicContact CZ-CG1 3.78Å; V939-I942 WeakPolarHBondContact O-CB 3.47Å; V939-I942 WeakPolarHBondContact O-CG2 3.32Å; V939-I942 PolarHBondContact O-N 3.11Å; I942-D946 HydrophobicContact CD1-CB 4.47Å; I942-D946 HydrophobicContact CG1-CB 3.65Å; I942-L947 HydrophobicContact CD1-CD2 3.53Å; I942-L947 HydrophobicContact CD1-CG 4.28Å; I942-L947 HydrophobicContact CG1-CD2 4.08Å; I942-L947 HydrophobicContact CG1-CG 4.31Å; I942-I950 HydrophobicContact CD1-CD1 3.96Å; I942-V965 HydrophobicContact CG2-CG1 4.21Å; I942-V965 HydrophobicContact CG2-CG2 3.8Å
943	S	87.3	Confident	82.5	Confident	46 Å²	46	61 Å²	61	32%	0.322	34%	0.338	S	S	.	.			trans	-97.3	166.7	176.8	73.6	0	0	0	0	112	Q941 E945 D946 L947	Q941-S943 PolarHBondContact O-N 2.74Å; S943-E945 PolarHBondContact O-N 2.99Å; S943-E945 PolarHBondContact OG-N 2.85Å; S943-D946 WeakPolarHBondContact CB-OD2 3.31Å; S943-D946 PolarHBondContact N-OD2 3.14Å; S943-D946 VanDerWaalsContact N-OD2 3.16Å; S943-D946 PolarHBondContact O-N 3.31Å; S943-D946 VanDerWaalsContact OG-CG 3.28Å; S943-D946 PolarHBondContact OG-N 3.4Å; S943-D946 VanDerWaalsContact OG-N 3.07Å; S943-D946 PolarHBondContact OG-OD2 3.05Å; S943-L947 WeakPolarHBondContact O-CG 3.43Å; S943-L947 PolarHBondContact O-N 2.67Å; S943-L947 VanDerWaalsContact O-N 3.13Å
944	A	78.4	Confident	81.2	Confident	46 Å²	46	64.1 Å²	64.1	38%	0.38	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-33.1	172.8	0	0	0	0	0	112.2	L947 L948 L962	A944-L947 PolarHBondContact O-N 3.44Å; A944-L948 PolarHBondContact O-N 3Å; A944-L962 HydrophobicContact CB-CD1 3.77Å
945	E	80.8	Confident	80.1	Confident	156 Å²	156	64.9 Å²	64.9	73%	0.729	36%	0.355	S	S	*	.	H	α-helix	trans	-71.1	-36.6	177.5	-165.5	171.2	-172.6	0	0	111.8	S943 L948 R949	S943-E945 PolarHBondContact O-N 2.99Å; S943-E945 PolarHBondContact OG-N 2.85Å; E945-L948 WeakPolarHBondContact O-CB 3.05Å; E945-L948 PolarHBondContact O-N 2.8Å; E945-R949 WeakPolarHBondContact O-CB 3.41Å; E945-R949 PolarHBondContact O-N 3.3Å
946	D	86.2	Confident	78.5	Confident	36 Å²	36	65.1 Å²	65.1	19%	0.193	37%	0.365	C	S	.	.	H	α-helix	trans	-64.7	-40.4	172.3	-68.6	-59.1	0	0	0	112.1	F933 I942 S943 L948 R949 I950	F933-D946 HydrophobicContact CZ-CB 4.14Å; I942-D946 HydrophobicContact CD1-CB 4.47Å; I942-D946 HydrophobicContact CG1-CB 3.65Å; S943-D946 WeakPolarHBondContact CB-OD2 3.31Å; S943-D946 PolarHBondContact N-OD2 3.14Å; S943-D946 VanDerWaalsContact N-OD2 3.16Å; S943-D946 PolarHBondContact O-N 3.31Å; S943-D946 VanDerWaalsContact OG-CG 3.28Å; S943-D946 PolarHBondContact OG-N 3.4Å; S943-D946 VanDerWaalsContact OG-N 3.07Å; S943-D946 PolarHBondContact OG-OD2 3.05Å; D946-L948 VanDerWaalsContact C-N 3.32Å; D946-L948 PolarHBondContact O-N 3.44Å; D946-R949 WeakPolarHBondContact O-CB 3.44Å; D946-R949 PolarHBondContact O-N 2.99Å; D946-R949 VanDerWaalsContact O-N 3.16Å; D946-R949 IonicContact OD1-CZ 3.6Å; D946-R949 IonicContact OD1-NE 3.55Å; D946-R949 IonicContact OD1-NH2 2.85Å; D946-R949 PolarHBondContact OD1-NH2 3.29Å; D946-I950 WeakPolarHBondContact O-CG1 3.36Å; D946-I950 WeakPolarHBondContact O-CG2 3.4Å; D946-I950 PolarHBondContact O-N 3.46Å
947	L	85.1	Confident	78.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-40.6	176.7	-69.4	-179.1	0	0	0	112.1	F928 I942 S943 A944 I950 G951 V952 Q958 I961 L962	F928-L947 HydrophobicContact CE2-CD2 4.13Å; F928-L947 HydrophobicContact CZ-CD2 3.57Å; I942-L947 HydrophobicContact CD1-CD2 3.53Å; I942-L947 HydrophobicContact CD1-CG 4.28Å; I942-L947 HydrophobicContact CG1-CD2 4.08Å; I942-L947 HydrophobicContact CG1-CG 4.31Å; S943-L947 WeakPolarHBondContact O-CG 3.43Å; S943-L947 PolarHBondContact O-N 2.67Å; S943-L947 VanDerWaalsContact O-N 3.13Å; A944-L947 PolarHBondContact O-N 3.44Å; L947-I950 HydrophobicContact CD2-CD1 4.07Å; L947-I950 WeakPolarHBondContact O-CG1 3.28Å; L947-I950 PolarHBondContact O-N 3.16Å; L947-G951 PolarHBondContact O-N 3.03Å; L947-V952 HydrophobicContact CB-CB 4.15Å; L947-V952 HydrophobicContact CD2-CG2 4.32Å; L947-V952 WeakPolarHBondContact O-CA 3.45Å; L947-V952 VanDerWaalsContact O-CB 3.25Å; L947-V952 WeakPolarHBondContact O-CB 3.31Å; L947-V952 PolarHBondContact O-N 2.79Å; L947-Q958 HydrophobicContact CB-CG 4.23Å; L947-Q958 HydrophobicContact CD1-CB 4.27Å; L947-Q958 HydrophobicContact CD1-CG 4.5Å; L947-I961 HydrophobicContact CD1-CB 4.12Å; L947-I961 HydrophobicContact CD1-CG2 3.97Å; L947-I961 HydrophobicContact CD2-CD1 4.4Å; L947-I961 HydrophobicContact CD2-CG2 3.82Å; L947-L962 HydrophobicContact CD1-CD1 4.08Å; L947-L962 HydrophobicContact CD1-CD2 3.77Å; L947-L962 HydrophobicContact CD1-CG 3.53Å
948	L	79.4	Confident	77.8	Confident	89 Å²	89	60 Å²	60	47%	0.466	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-45.7	172.5	-77.7	165.4	0	0	0	111.4	A944 E945 D946 I950 G951	A944-L948 PolarHBondContact O-N 3Å; E945-L948 WeakPolarHBondContact O-CB 3.05Å; E945-L948 PolarHBondContact O-N 2.8Å; D946-L948 VanDerWaalsContact C-N 3.32Å; D946-L948 PolarHBondContact O-N 3.44Å; L948-I950 VanDerWaalsContact C-N 3.28Å; L948-I950 PolarHBondContact O-N 3.21Å; L948-G951 PolarHBondContact O-N 3.03Å; L948-G951 VanDerWaalsContact O-N 3.11Å
949	R	81.3	Confident	77.2	Confident	190 Å²	190	63 Å²	63	72%	0.717	35%	0.351	S	S	*	.	H	α-helix	trans	-63	-32.1	-179.2	-172.7	172.5	61.1	149.2	-5.3	113.3	E945 D946 G951	E945-R949 WeakPolarHBondContact O-CB 3.41Å; E945-R949 PolarHBondContact O-N 3.3Å; D946-R949 WeakPolarHBondContact O-CB 3.44Å; D946-R949 PolarHBondContact O-N 2.99Å; D946-R949 VanDerWaalsContact O-N 3.16Å; D946-R949 IonicContact OD1-CZ 3.6Å; D946-R949 IonicContact OD1-NE 3.55Å; D946-R949 IonicContact OD1-NH2 2.85Å; D946-R949 PolarHBondContact OD1-NH2 3.29Å; R949-G951 VanDerWaalsContact C-N 3.32Å
950	I	85.9	Confident	76.4	Confident	18 Å²	18	67.2 Å²	67.2	9%	0.092	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11.2	177.9	71.8	-177.4	0	0	0	113.4	S927 F928 A931 F933 I942 D946 L947 L948 V952	S927-I950 VanDerWaalsContact CB-O 3.3Å; S927-I950 WeakPolarHBondContact CB-O 3.4Å; F928-I950 HydrophobicContact CD1-CD1 4.47Å; F928-I950 HydrophobicContact CD2-CD1 3.58Å; F928-I950 HydrophobicContact CE1-CD1 4.3Å; F928-I950 HydrophobicContact CE2-CD1 3.39Å; F928-I950 HydrophobicContact CE2-CG1 4.43Å; F928-I950 HydrophobicContact CG-CD1 4.13Å; F928-I950 HydrophobicContact CZ-CD1 3.78Å; A931-I950 HydrophobicContact CB-CB 4.15Å; A931-I950 HydrophobicContact CB-CG2 3.25Å; F933-I950 HydrophobicContact CD2-CD1 4.22Å; F933-I950 HydrophobicContact CD2-CG2 4.4Å; F933-I950 HydrophobicContact CE2-CD1 4.37Å; F933-I950 HydrophobicContact CE2-CG2 4.04Å; I942-I950 HydrophobicContact CD1-CD1 3.96Å; D946-I950 WeakPolarHBondContact O-CG1 3.36Å; D946-I950 WeakPolarHBondContact O-CG2 3.4Å; D946-I950 PolarHBondContact O-N 3.46Å; L947-I950 HydrophobicContact CD2-CD1 4.07Å; L947-I950 WeakPolarHBondContact O-CG1 3.28Å; L947-I950 PolarHBondContact O-N 3.16Å; L948-I950 VanDerWaalsContact C-N 3.28Å; L948-I950 PolarHBondContact O-N 3.21Å; I950-V952 HydrophobicContact CG1-CG2 4.16Å
951	G	69.8	Low	76.3	Confident	41 Å²	41	65.8 Å²	65.8	42%	0.423	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	13.1	172	0	0	0	0	0	115.5	L947 L948 R949 T953	L947-G951 PolarHBondContact O-N 3.03Å; L948-G951 PolarHBondContact O-N 3.03Å; L948-G951 VanDerWaalsContact O-N 3.11Å; R949-G951 VanDerWaalsContact C-N 3.32Å; G951-T953 PolarHBondContact O-N 3.38Å
952	V	80.3	Confident	76.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.339	C	S	.	.			trans	-85.8	81.4	168.5	-170	0	0	0	0	108.5	Y924 F928 L947 I950 H957 Q958 I961	Y924-V952 HydrophobicContact CD1-CG2 3.72Å; Y924-V952 HydrophobicContact CD2-CG2 4.23Å; Y924-V952 HydrophobicContact CE1-CB 4.29Å; Y924-V952 HydrophobicContact CE1-CG1 4.39Å; Y924-V952 HydrophobicContact CE1-CG2 3.87Å; Y924-V952 HydrophobicContact CE2-CG1 4.16Å; Y924-V952 HydrophobicContact CE2-CG2 4.38Å; Y924-V952 HydrophobicContact CG-CG2 3.9Å; F928-V952 HydrophobicContact CE2-CG2 4.25Å; L947-V952 HydrophobicContact CB-CB 4.15Å; L947-V952 HydrophobicContact CD2-CG2 4.32Å; L947-V952 WeakPolarHBondContact O-CA 3.45Å; L947-V952 VanDerWaalsContact O-CB 3.25Å; L947-V952 WeakPolarHBondContact O-CB 3.31Å; L947-V952 PolarHBondContact O-N 2.79Å; I950-V952 HydrophobicContact CG1-CG2 4.16Å; V952-H957 HydrophobicContact CG1-CB 3.77Å; V952-Q958 HydrophobicContact CB-CG 4.41Å; V952-Q958 HydrophobicContact CG1-CG 3.86Å; V952-Q958 VanDerWaalsContact O-CG 3.28Å; V952-Q958 WeakPolarHBondContact O-CG 3.42Å; V952-Q958 PolarHBondContact O-NE2 2.87Å; V952-I961 HydrophobicContact CG1-CD1 4.06Å; V952-I961 HydrophobicContact CG2-CD1 4.18Å
953	T	69.5	Low	75.5	Confident	103 Å²	103	63.6 Å²	63.6	63%	0.632	36%	0.36	S	S	*	.			trans	-86.4	-19.1	-175.8	55.5	0	0	0	0	114.5	G951 A955	G951-T953 PolarHBondContact O-N 3.38Å; T953-A955 PolarHBondContact O-N 2.87Å
954	L	61.2	Low	75.2	Confident	86 Å²	86	62.4 Å²	62.4	45%	0.45	35%	0.351	S	S	.	.			trans	-78.7	118.1	-179.6	-66.7	171.1	0	0	0	110.5	G956 H957 Q958	L954-G956 VanDerWaalsContact C-N 3.27Å; L954-G956 PolarHBondContact O-N 2.88Å; L954-H957 HydrophobicContact CB-CB 4.11Å; L954-H957 VanDerWaalsContact CD1-CE1 3.43Å; L954-H957 WeakPolarHBondContact CD1-CE1 3.32Å; L954-H957 WeakPolarHBondContact O-CB 3.42Å; L954-H957 PolarHBondContact O-N 2.73Å; L954-Q958 PolarHBondContact O-N 2.88Å
955	A	58.4	Low	75.4	Confident	74 Å²	74	60.2 Å²	60.2	61%	0.612	33%	0.333	S	S	*	.	H	α-helix	trans	-55.7	-38.6	-178.2	0	0	0	0	0	113.1	T953 H957 Q958 K959	T953-A955 PolarHBondContact O-N 2.87Å; A955-H957 PolarHBondContact O-N 3.03Å; A955-Q958 PolarHBondContact O-N 3.06Å; A955-K959 WeakPolarHBondContact O-CB 3.24Å; A955-K959 PolarHBondContact O-N 2.81Å
956	G	51.6	Low	75.2	Confident	52 Å²	52	59 Å²	59	54%	0.536	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-38.1	175.2	0	0	0	0	0	113.3	L954 K960	L954-G956 VanDerWaalsContact C-N 3.27Å; L954-G956 PolarHBondContact O-N 2.88Å; G956-K960 WeakPolarHBondContact O-CB 3.43Å; G956-K960 PolarHBondContact O-N 3.4Å
957	H	77.8	Confident	74.4	Confident	47 Å²	47	61.6 Å²	61.6	22%	0.218	34%	0.338	C	S	.	.	H	α-helix	trans	-71.5	-40.7	175.9	-66.1	-177.5	0	0	0	111.4	M921 Y924 V952 L954 A955 K959 K960 I961	M921-H957 HydrophobicContact SD-CB 3.77Å; Y924-H957 HydrophobicContact CE2-CB 4.13Å; Y924-H957 AromaticContact CE2-ND1 3.53Å; Y924-H957 AromaticContact CZ-ND1 3.58Å; Y924-H957 PolarHBondContact OH-ND1 3Å; V952-H957 HydrophobicContact CG1-CB 3.77Å; L954-H957 HydrophobicContact CB-CB 4.11Å; L954-H957 VanDerWaalsContact CD1-CE1 3.43Å; L954-H957 WeakPolarHBondContact CD1-CE1 3.32Å; L954-H957 WeakPolarHBondContact O-CB 3.42Å; L954-H957 PolarHBondContact O-N 2.73Å; A955-H957 PolarHBondContact O-N 3.03Å; H957-K959 PolarHBondContact O-N 3.41Å; H957-K960 PolarHBondContact O-N 2.79Å; H957-I961 VanDerWaalsContact O-CG1 3.3Å; H957-I961 WeakPolarHBondContact O-CG1 3.35Å; H957-I961 PolarHBondContact O-N 2.91Å
958	Q	73.8	Confident	73.9	Confident	29 Å²	29	62.1 Å²	62.1	14%	0.136	34%	0.341	C	S	.	.	H	α-helix	trans	-58.3	-49.2	173.5	-66.2	173.2	20.4	0	0	111	L947 V952 L954 A955 K960 I961 L962	L947-Q958 HydrophobicContact CB-CG 4.23Å; L947-Q958 HydrophobicContact CD1-CB 4.27Å; L947-Q958 HydrophobicContact CD1-CG 4.5Å; V952-Q958 HydrophobicContact CB-CG 4.41Å; V952-Q958 HydrophobicContact CG1-CG 3.86Å; V952-Q958 VanDerWaalsContact O-CG 3.28Å; V952-Q958 WeakPolarHBondContact O-CG 3.42Å; V952-Q958 PolarHBondContact O-NE2 2.87Å; L954-Q958 PolarHBondContact O-N 2.88Å; A955-Q958 PolarHBondContact O-N 3.06Å; Q958-K960 VanDerWaalsContact C-N 3.32Å; Q958-K960 PolarHBondContact O-N 2.79Å; Q958-I961 PolarHBondContact O-N 2.85Å; Q958-L962 VanDerWaalsContact O-CB 3.28Å; Q958-L962 WeakPolarHBondContact O-CB 3.2Å; Q958-L962 WeakPolarHBondContact O-CG 3.42Å; Q958-L962 PolarHBondContact O-N 3.38Å
959	K	71.8	Confident	73.5	Confident	144 Å²	144	63 Å²	63	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-41.1	179	-166.2	177.5	-177.7	-178.2	0	111.6	A955 H957 A963	A955-K959 WeakPolarHBondContact O-CB 3.24Å; A955-K959 PolarHBondContact O-N 2.81Å; H957-K959 PolarHBondContact O-N 3.41Å; K959-A963 WeakPolarHBondContact O-CB 3.2Å; K959-A963 PolarHBondContact O-N 3.46Å
960	K	69.4	Low	72.5	Confident	88 Å²	88	57.7 Å²	57.7	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-65.8	-44.7	178.3	-164.3	-179.5	-167.2	-173.2	0	112.8	I919 M921 G956 H957 Q958 S964	I919-K960 WeakPolarHBondContact O-CE 3.42Å; I919-K960 PolarHBondContact O-NZ 3.16Å; M921-K960 HydrophobicContact CE-CD 3.71Å; M921-K960 HydrophobicContact CG-CD 4.42Å; M921-K960 HydrophobicContact SD-CD 4.34Å; G956-K960 WeakPolarHBondContact O-CB 3.43Å; G956-K960 PolarHBondContact O-N 3.4Å; H957-K960 PolarHBondContact O-N 2.79Å; Q958-K960 VanDerWaalsContact C-N 3.32Å; Q958-K960 PolarHBondContact O-N 2.79Å; K960-S964 PolarHBondContact O-N 2.77Å; K960-S964 VanDerWaalsContact O-N 3.14Å
961	I	81.1	Confident	71.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.2	-48	176.9	-66.6	171.6	0	0	0	110	W915 I919 M921 Y924 F928 L947 V952 H957 Q958 A963 S964 V965	W915-I961 HydrophobicContact CH2-CG2 3.97Å; I919-I961 HydrophobicContact CD1-CG1 4.04Å; M921-I961 HydrophobicContact CB-CD1 4.27Å; M921-I961 HydrophobicContact CB-CG1 4.22Å; M921-I961 HydrophobicContact CG-CD1 4.11Å; M921-I961 HydrophobicContact CG-CG1 3.7Å; M921-I961 HydrophobicContact SD-CD1 4.17Å; M921-I961 HydrophobicContact SD-CG1 4.08Å; Y924-I961 HydrophobicContact CD2-CD1 4.22Å; F928-I961 HydrophobicContact CE2-CD1 4.3Å; F928-I961 HydrophobicContact CZ-CD1 4.28Å; F928-I961 HydrophobicContact CZ-CG2 4.03Å; L947-I961 HydrophobicContact CD1-CB 4.12Å; L947-I961 HydrophobicContact CD1-CG2 3.97Å; L947-I961 HydrophobicContact CD2-CD1 4.4Å; L947-I961 HydrophobicContact CD2-CG2 3.82Å; V952-I961 HydrophobicContact CG1-CD1 4.06Å; V952-I961 HydrophobicContact CG2-CD1 4.18Å; H957-I961 VanDerWaalsContact O-CG1 3.3Å; H957-I961 WeakPolarHBondContact O-CG1 3.35Å; H957-I961 PolarHBondContact O-N 2.91Å; Q958-I961 PolarHBondContact O-N 2.85Å; I961-A963 PolarHBondContact O-N 3.05Å; I961-S964 PolarHBondContact O-N 2.91Å; I961-V965 HydrophobicContact CG2-CG2 4.37Å; I961-V965 VanDerWaalsContact O-CG2 3.28Å; I961-V965 WeakPolarHBondContact O-CG2 3.27Å; I961-V965 PolarHBondContact O-N 3Å
962	L	82.5	Confident	70.4	Confident	37 Å²	37	61.6 Å²	61.6	19%	0.194	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-37.7	179.2	-70.1	169.2	0	0	0	112.6	A944 L947 Q958 V965 Q966	A944-L962 HydrophobicContact CB-CD1 3.77Å; L947-L962 HydrophobicContact CD1-CD1 4.08Å; L947-L962 HydrophobicContact CD1-CD2 3.77Å; L947-L962 HydrophobicContact CD1-CG 3.53Å; Q958-L962 VanDerWaalsContact O-CB 3.28Å; Q958-L962 WeakPolarHBondContact O-CB 3.2Å; Q958-L962 WeakPolarHBondContact O-CG 3.42Å; Q958-L962 PolarHBondContact O-N 3.38Å; L962-V965 PolarHBondContact O-N 2.7Å; L962-Q966 WeakPolarHBondContact O-CB 3.26Å; L962-Q966 VanDerWaalsContact O-CG 3.29Å; L962-Q966 WeakPolarHBondContact O-CG 3.45Å; L962-Q966 PolarHBondContact O-N 2.78Å
963	A	74.6	Confident	68.6	Low	54 Å²	54	70.2 Å²	70.2	45%	0.446	39%	0.388	S	S	.	.	H	α-helix	trans	-63.9	-42.1	174.8	0	0	0	0	0	111.4	K959 I961 Q966 H967	K959-A963 WeakPolarHBondContact O-CB 3.2Å; K959-A963 PolarHBondContact O-N 3.46Å; I961-A963 PolarHBondContact O-N 3.05Å; A963-Q966 PolarHBondContact O-N 2.88Å; A963-H967 PolarHBondContact O-N 2.88Å
964	S	79.4	Confident	67.3	Low	20 Å²	20	71.3 Å²	71.3	14%	0.14	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-38.3	174.7	-173.1	0	0	0	0	112.2	W915 K960 I961 H967 M968	W915-S964 PolarHBondContact NE1-OG 2.85Å; K960-S964 PolarHBondContact O-N 2.77Å; K960-S964 VanDerWaalsContact O-N 3.14Å; I961-S964 PolarHBondContact O-N 2.91Å; S964-H967 WeakPolarHBondContact O-CB 3.45Å; S964-H967 PolarHBondContact O-N 3.26Å; S964-M968 PolarHBondContact O-N 3.35Å
965	V	83.9	Confident	66.3	Low	1 Å²	1	70.8 Å²	70.8	1%	0.006	41%	0.412	C	S	.	.	H	α-helix	trans	-65	-42	173.6	167.1	0	0	0	0	112	W915 V939 S940 I942 I961 L962 H967 M968 K969	W915-V965 HydrophobicContact CH2-CG2 3.98Å; W915-V965 HydrophobicContact CZ2-CG2 4.12Å; V939-V965 HydrophobicContact CG1-CG2 3.91Å; S940-V965 WeakPolarHBondContact O-CG1 3.49Å; I942-V965 HydrophobicContact CG2-CG1 4.21Å; I942-V965 HydrophobicContact CG2-CG2 3.8Å; I961-V965 HydrophobicContact CG2-CG2 4.37Å; I961-V965 VanDerWaalsContact O-CG2 3.28Å; I961-V965 WeakPolarHBondContact O-CG2 3.27Å; I961-V965 PolarHBondContact O-N 3Å; L962-V965 PolarHBondContact O-N 2.7Å; V965-H967 VanDerWaalsContact C-N 3.3Å; V965-H967 PolarHBondContact O-N 3.01Å; V965-M968 HydrophobicContact CG2-CE 4.39Å; V965-M968 VanDerWaalsContact O-CB 3.29Å; V965-M968 WeakPolarHBondContact O-CB 3.28Å; V965-M968 PolarHBondContact O-N 3.42Å; V965-K969 PolarHBondContact O-N 2.88Å
966	Q	75.7	Confident	64.9	Low	131 Å²	131	72.1 Å²	72.1	61%	0.612	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-37.6	174.8	-77.4	178.7	-4.9	0	0	111.6	L962 A963 K969 S970	L962-Q966 WeakPolarHBondContact O-CB 3.26Å; L962-Q966 VanDerWaalsContact O-CG 3.29Å; L962-Q966 WeakPolarHBondContact O-CG 3.45Å; L962-Q966 PolarHBondContact O-N 2.78Å; A963-Q966 PolarHBondContact O-N 2.88Å; Q966-K969 PolarHBondContact O-N 2.96Å; Q966-S970 PolarHBondContact O-N 2.9Å
967	H	69.3	Low	64.5	Low	90 Å²	90	75.7 Å²	75.7	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-44.8	172.9	-163.7	57.6	0	0	0	111.4	A963 S964 V965 K969 S970 Q971	A963-H967 PolarHBondContact O-N 2.88Å; S964-H967 WeakPolarHBondContact O-CB 3.45Å; S964-H967 PolarHBondContact O-N 3.26Å; V965-H967 VanDerWaalsContact C-N 3.3Å; V965-H967 PolarHBondContact O-N 3.01Å; H967-K969 VanDerWaalsContact C-N 3.35Å; H967-K969 PolarHBondContact O-N 3.29Å; H967-S970 PolarHBondContact O-N 3.23Å; H967-S970 PolarHBondContact O-OG 3.45Å; H967-Q971 PolarHBondContact CE1-NE2 3.13Å; H967-Q971 PolarHBondContact NE2-NE2 2.7Å; H967-Q971 PolarHBondContact O-N 2.99Å
968	M	74.4	Confident	62.4	Low	11 Å²	11	77.4 Å²	77.4	5%	0.054	47%	0.468	C	S	.	.	H	α-helix	trans	-54.5	-45.8	171.1	-101.8	-176.4	-85.4	0	0	112.4	Y906 W915 F936 V939 S964 V965 S970 Q971 A972	Y906-M968 HydrophobicContact CD1-CG 4.04Å; Y906-M968 HydrophobicContact CG-CG 3.9Å; W915-M968 HydrophobicContact CD2-CE 4.07Å; W915-M968 HydrophobicContact CH2-CE 4.11Å; W915-M968 HydrophobicContact CZ2-CE 3.36Å; F936-M968 HydrophobicContact CB-SD 4.48Å; F936-M968 HydrophobicContact CD1-CE 4.34Å; F936-M968 HydrophobicContact CD1-SD 3.68Å; F936-M968 HydrophobicContact CE1-SD 4.42Å; F936-M968 HydrophobicContact CG-SD 4.49Å; V939-M968 HydrophobicContact CG1-CE 4.12Å; S964-M968 PolarHBondContact O-N 3.35Å; V965-M968 HydrophobicContact CG2-CE 4.39Å; V965-M968 VanDerWaalsContact O-CB 3.29Å; V965-M968 WeakPolarHBondContact O-CB 3.28Å; V965-M968 PolarHBondContact O-N 3.42Å; M968-S970 PolarHBondContact O-N 3.12Å; M968-Q971 PolarHBondContact O-N 2.7Å; M968-A972 PolarHBondContact O-N 2.9Å
969	K	72.3	Confident	60.3	Low	106 Å²	106	80 Å²	80	46%	0.461	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-39.7	177.2	-71.8	-177.7	-176	-179.5	0	113	S940 V965 Q966 H967 Q971 A972	S940-K969 WeakPolarHBondContact O-CE 3.13Å; S940-K969 PolarHBondContact O-NZ 2.77Å; V965-K969 PolarHBondContact O-N 2.88Å; Q966-K969 PolarHBondContact O-N 2.96Å; H967-K969 VanDerWaalsContact C-N 3.35Å; H967-K969 PolarHBondContact O-N 3.29Å; K969-Q971 PolarHBondContact O-N 3.47Å; K969-A972 PolarHBondContact O-N 2.95Å
970	S	60	Low	58.5	Low	79 Å²	79	80.2 Å²	80.2	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-67.8	-25.8	-176.7	70.9	0	0	0	0	113.2	Q966 H967 M968	Q966-S970 PolarHBondContact O-N 2.9Å; H967-S970 PolarHBondContact O-N 3.23Å; H967-S970 PolarHBondContact O-OG 3.45Å; M968-S970 PolarHBondContact O-N 3.12Å
971	Q	57.4	Low	56.7	Low	76 Å²	76	79.9 Å²	79.9	36%	0.355	54%	0.538	S	S	.	.	H	α-helix	trans	-92.1	-14.3	179.8	-67.8	-178.2	-10.7	0	0	113.7	Y906 H967 M968 K969	Y906-Q971 HydrophobicContact CE1-CB 3.83Å; H967-Q971 PolarHBondContact CE1-NE2 3.13Å; H967-Q971 PolarHBondContact NE2-NE2 2.7Å; H967-Q971 PolarHBondContact O-N 2.99Å; M968-Q971 PolarHBondContact O-N 2.7Å; K969-Q971 PolarHBondContact O-N 3.47Å
972	A	54.9	Low	54.3	Low	65 Å²	65	83.6 Å²	83.6	54%	0.537	58%	0.576	S	S	.	*			trans	-87.6	4.5	-178	0	0	0	0	0	115	M968 K969 P974	M968-A972 PolarHBondContact O-N 2.9Å; K969-A972 PolarHBondContact O-N 2.95Å; A972-P974 VanDerWaalsContact O-CD 3.31Å; A972-P974 WeakPolarHBondContact O-CD 3.41Å
973	K	41.6	Very low	52.5	Low	181 Å²	181	87.2 Å²	87.2	79%	0.787	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-78.8	117.4	176.3	-87.2	-174.7	175.2	-179.3	0	111
974	P	43	Very low	50.3	Low	126 Å²	126	90.9 Å²	90.9	82%	0.818	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-71.7	138.5	175.7	28.1	-31.6	0	0	0	111.4	A972	A972-P974 VanDerWaalsContact O-CD 3.31Å; A972-P974 WeakPolarHBondContact O-CD 3.41Å
975	G	38.9	Very low	48.6	Very low	75 Å²	75	94.9 Å²	94.9	77%	0.773	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-61.8	146.3	178	0	0	0	0	0	113.5
976	A	30.4	Very low	46.3	Very low	102 Å²	102	103.2 Å²	103.2	84%	0.843	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-68.7	140.2	173.4	0	0	0	0	0	111.3
977	P	43.3	Very low	44.5	Very low	127 Å²	127	111.7 Å²	111.7	83%	0.825	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-90.7	134.7	179.4	33.7	-31.1	0	0	0	112.8
978	G	32.4	Very low	43.2	Very low	84 Å²	84	112.8 Å²	112.8	87%	0.866	73%	0.727	S	S	*	*			trans	60.8	101	139.6	0	0	0	0	0	119.8
979	G	30.1	Very low	41.6	Very low	83 Å²	83	118.2 Å²	118.2	86%	0.856	76%	0.762	S	S	*	*			trans	-128.2	107.7	156.8	0	0	0	0	0	110.3
980	T	34.2	Very low	39.9	Very low	148 Å²	148	118.8 Å²	118.8	91%	0.908	78%	0.779	S	S	*	*			trans	-70	145.7	177	45.3	0	0	0	0	113.3
981	G	30.6	Very low	38.7	Very low	82 Å²	82	121.2 Å²	121.2	85%	0.845	79%	0.792	S	S	*	*			trans	123.9	99.7	140	0	0	0	0	0	118.7
982	G	30.7	Very low	37.5	Very low	78 Å²	78	124 Å²	124	80%	0.804	82%	0.819	S	S	*	*			trans	92.2	141.9	131.7	0	0	0	0	0	119
983	P	44.9	Very low	36.4	Very low	113 Å²	113	127.9 Å²	127.9	73%	0.734	84%	0.838	S	S	*	*			trans	-104.6	160.9	-170.7	36.3	-23.9	0	0	0	115.6
984	T	28	Very low	36	Very low	130 Å²	130	124.1 Å²	124.1	80%	0.798	84%	0.842	S	S	*	*			trans	71.4	160.1	152.5	45.7	0	0	0	0	120.5
985	P	43.8	Very low	35.4	Very low	104 Å²	104	124 Å²	124	68%	0.675	84%	0.843	S	S	*	*			cis	-136	160.2	-8.9	24.5	-0.5	0	0	0	117.3
986	Q	36.4	Very low	35.2	Very low	177 Å²	177	128.1 Å²	128.1	83%	0.827	85%	0.849	S	S	*	*			trans	38.3	123.4	138.9	-64.5	178.7	-20.2	0	0	121.8
987	Y	37.1	Very low	35.6	Very low	309 Å²	309	130.5 Å²	130.5	100%	1.212	85%	0.85	S	S	*	*				-142.5	0	97.7	-101.1	-79.9	0	0	0	110.7

Retrieved 987 of 987 residues in 322.1 ms (Link to these results)

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