A0A096MLR0_PAPAN Loading...

Arginine--tRNA ligase, cytoplasmic

Forms part of a macromolecular complex that catalyzes the attachment of specific amino acids to cognate tRNAs during protein synthesis. Modulates the secretion of AIMP1 and may be involved in generation of the inflammatory cytokine EMAP2 from AIMP1.

AlphaFold DB , UniProt , Accession A0A096MLR0, Species PAPAN (Papio anubis, Olive baboon), Gene RARS1, Length 660 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	55	Low	213 Å²	213	113.3 Å²	113.3	100%	1.049	64%	0.637	S	S	*	*				0	-19.1	0	-105.7	175.2	-95.1	0	0	112.4
2	D	52.3	Low	55.8	Low	138 Å²	138	111.8 Å²	111.8	74%	0.738	63%	0.625	S	S	*	*	H	α-helix	trans	-78.2	-26.8	-171.6	-55.1	-39.1	0	0	0	116.3	S6	D2-S6 PolarHBondContact O-N 2.92Å
3	G	51.2	Low	56.8	Low	51 Å²	51	111 Å²	111	53%	0.526	62%	0.618	S	S	.	*	H	α-helix	trans	-70.3	-32.9	-179.6	0	0	0	0	0	114.4	Q7	G3-Q7 WeakPolarHBondContact O-CB 3.46Å; G3-Q7 WeakPolarHBondContact O-CG 3.47Å; G3-Q7 PolarHBondContact O-N 2.96Å
4	L	49	Very low	57.5	Low	143 Å²	143	112.5 Å²	112.5	75%	0.749	62%	0.618	S	S	*	*	H	α-helix	trans	-76.1	-35	-179.3	-116.7	127.2	0	0	0	111.8	C8	L4-C8 VanDerWaalsContact O-CB 3.27Å; L4-C8 WeakPolarHBondContact O-CB 3.27Å; L4-C8 PolarHBondContact O-N 2.96Å
5	V	54	Low	58.2	Low	102 Å²	102	112.4 Å²	112.4	62%	0.618	61%	0.611	S	S	*	*	H	α-helix	trans	-69.1	-41.7	174.9	-179.4	0	0	0	0	110.4	C8 S9	V5-C8 PolarHBondContact O-N 3.04Å; V5-S9 WeakPolarHBondContact O-CB 3.44Å; V5-S9 PolarHBondContact O-N 3.21Å
6	S	55.3	Low	58.8	Low	82 Å²	82	113.5 Å²	113.5	57%	0.573	61%	0.611	S	S	*	*	H	α-helix	trans	-63.9	-43.3	175.6	179.8	0	0	0	0	112.4	D2 S9 A10	D2-S6 PolarHBondContact O-N 2.92Å; S6-S9 PolarHBondContact O-N 3.34Å; S6-A10 WeakPolarHBondContact O-CB 3.49Å; S6-A10 PolarHBondContact O-N 3.05Å
7	Q	55.1	Low	59.6	Low	139 Å²	139	115.3 Å²	115.3	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-66.9	-35.6	175	-80.3	-179.2	-15.9	0	0	113.1	G3 R11	G3-Q7 WeakPolarHBondContact O-CB 3.46Å; G3-Q7 WeakPolarHBondContact O-CG 3.47Å; G3-Q7 PolarHBondContact O-N 2.96Å; Q7-R11 WeakPolarHBondContact O-CB 3.47Å; Q7-R11 PolarHBondContact O-N 3.39Å
8	C	54.2	Low	60.3	Low	75 Å²	75	115.8 Å²	115.8	51%	0.507	61%	0.613	S	S	.	*	H	α-helix	trans	-68	-41.1	175.9	-150.4	0	0	0	0	111	L4 V5 R11 L12	L4-C8 VanDerWaalsContact O-CB 3.27Å; L4-C8 WeakPolarHBondContact O-CB 3.27Å; L4-C8 PolarHBondContact O-N 2.96Å; V5-C8 PolarHBondContact O-N 3.04Å; C8-R11 PolarHBondContact O-N 3.06Å; C8-L12 WeakPolarHBondContact O-CG 3.5Å; C8-L12 PolarHBondContact O-N 3.41Å
9	S	57.9	Low	60.9	Low	64 Å²	64	115.3 Å²	115.3	45%	0.448	61%	0.609	S	S	.	*	H	α-helix	trans	-66.4	-38	176	-164.6	0	0	0	0	112.7	V5 S6 L12 L13	V5-S9 WeakPolarHBondContact O-CB 3.44Å; V5-S9 PolarHBondContact O-N 3.21Å; S6-S9 PolarHBondContact O-N 3.34Å; S9-L12 PolarHBondContact O-N 2.92Å; S9-L13 WeakPolarHBondContact O-CG 3.41Å; S9-L13 PolarHBondContact O-N 3.34Å
10	A	62.9	Low	61.4	Low	54 Å²	54	117.7 Å²	117.7	45%	0.446	61%	0.614	S	S	.	*	H	α-helix	trans	-67.1	-38.1	175.1	0	0	0	0	0	112.1	S6 Q14	S6-A10 WeakPolarHBondContact O-CB 3.49Å; S6-A10 PolarHBondContact O-N 3.05Å; A10-Q14 PolarHBondContact O-N 3.05Å; A10-Q14 VanDerWaalsContact O-N 3.09Å
11	R	63.6	Low	61.9	Low	185 Å²	185	115.5 Å²	115.5	70%	0.698	61%	0.609	S	S	*	*	H	α-helix	trans	-66.9	-38.1	173.2	-86.7	-178.3	167.2	175.8	-3.4	112.9	Q7 C8 Q14 Q15	Q7-R11 WeakPolarHBondContact O-CB 3.47Å; Q7-R11 PolarHBondContact O-N 3.39Å; C8-R11 PolarHBondContact O-N 3.06Å; R11-Q14 PolarHBondContact O-N 3.32Å; R11-Q15 WeakPolarHBondContact O-CB 3.47Å; R11-Q15 PolarHBondContact O-N 3.09Å
12	L	64.3	Low	62.8	Low	95 Å²	95	109.9 Å²	109.9	50%	0.497	58%	0.582	S	S	.	*	H	α-helix	trans	-64.8	-42.1	176	-80.8	162.2	0	0	0	111.6	C8 S9 Q15 E16	C8-L12 WeakPolarHBondContact O-CG 3.5Å; C8-L12 PolarHBondContact O-N 3.41Å; S9-L12 PolarHBondContact O-N 2.92Å; L12-Q15 PolarHBondContact O-N 3.41Å; L12-E16 PolarHBondContact O-N 2.85Å
13	L	69	Low	63.8	Low	102 Å²	102	106.6 Å²	106.6	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-64.1	-41.3	175.2	-76.5	166.7	0	0	0	112.2	S9 Q15 E16 E17	S9-L13 WeakPolarHBondContact O-CG 3.41Å; S9-L13 PolarHBondContact O-N 3.34Å; L13-Q15 VanDerWaalsContact C-N 3.35Å; L13-E16 PolarHBondContact O-N 3.24Å; L13-E17 PolarHBondContact O-N 2.89Å
14	Q	66.9	Low	64.6	Low	132 Å²	132	106.4 Å²	106.4	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-63.1	-40.3	172.7	-85.2	-176	-30.7	0	0	112.4	A10 R11 E17 E18	A10-Q14 PolarHBondContact O-N 3.05Å; A10-Q14 VanDerWaalsContact O-N 3.09Å; R11-Q14 PolarHBondContact O-N 3.32Å; Q14-E17 PolarHBondContact O-N 3.34Å; Q14-E18 WeakPolarHBondContact O-CB 3.38Å; Q14-E18 PolarHBondContact O-N 3.48Å
15	Q	67.9	Low	65.4	Low	111 Å²	111	104.7 Å²	104.7	52%	0.519	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-37.1	175	-88.8	-176.1	-32.9	0	0	112.5	R11 L12 L13 E18 I19	R11-Q15 WeakPolarHBondContact O-CB 3.47Å; R11-Q15 PolarHBondContact O-N 3.09Å; L12-Q15 PolarHBondContact O-N 3.41Å; L13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-E18 PolarHBondContact O-N 2.84Å; Q15-I19 WeakPolarHBondContact O-CB 3.48Å; Q15-I19 WeakPolarHBondContact O-CG1 3.33Å; Q15-I19 PolarHBondContact O-N 2.91Å
16	E	68.1	Low	66	Low	130 Å²	130	104.1 Å²	104.1	61%	0.607	54%	0.542	S	S	*	.	H	α-helix	trans	-64.9	-40.6	174.8	-78.8	-172.2	162.9	0	0	111.8	L12 L13 I19 K20	L12-E16 PolarHBondContact O-N 2.85Å; L13-E16 PolarHBondContact O-N 3.24Å; E16-I19 PolarHBondContact O-N 3.39Å; E16-K20 VanDerWaalsContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 PolarHBondContact O-N 2.85Å
17	E	72	Confident	66.3	Low	144 Å²	144	104 Å²	104	67%	0.673	54%	0.535	S	S	*	.	H	α-helix	trans	-67.1	-39.6	173.8	-86.3	177	152	0	0	112.5	L13 Q14 K20 S21	L13-E17 PolarHBondContact O-N 2.89Å; Q14-E17 PolarHBondContact O-N 3.34Å; E17-K20 PolarHBondContact O-N 3.38Å; E17-S21 WeakPolarHBondContact O-CB 3.19Å; E17-S21 PolarHBondContact O-N 2.92Å
18	E	73.1	Confident	66.5	Low	125 Å²	125	106.5 Å²	106.5	58%	0.584	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-46.3	173.1	-108.4	179.4	169.2	0	0	111.7	Q14 Q15 K20 S21 L22	Q14-E18 WeakPolarHBondContact O-CB 3.38Å; Q14-E18 PolarHBondContact O-N 3.48Å; Q15-E18 PolarHBondContact O-N 2.84Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 2.83Å; E18-S21 PolarHBondContact O-N 3.45Å; E18-L22 VanDerWaalsContact O-CB 3.28Å; E18-L22 WeakPolarHBondContact O-CB 3.34Å; E18-L22 VanDerWaalsContact O-CG 3.32Å; E18-L22 WeakPolarHBondContact O-CG 3.4Å; E18-L22 PolarHBondContact O-N 3.26Å
19	I	70.3	Confident	66.5	Low	105 Å²	105	108.5 Å²	108.5	54%	0.538	54%	0.543	S	S	.	.	H	α-helix	trans	-61.3	-43.4	176.6	-71.8	166.9	0	0	0	110	Q15 E16 L22 T23	Q15-I19 WeakPolarHBondContact O-CB 3.48Å; Q15-I19 WeakPolarHBondContact O-CG1 3.33Å; Q15-I19 PolarHBondContact O-N 2.91Å; E16-I19 PolarHBondContact O-N 3.39Å; I19-L22 PolarHBondContact O-N 3.09Å; I19-T23 WeakPolarHBondContact O-CB 3.32Å; I19-T23 PolarHBondContact O-N 3.35Å; I19-T23 PolarHBondContact O-OG1 3.44Å
20	K	72.3	Confident	66.5	Low	163 Å²	163	113.1 Å²	113.1	71%	0.709	56%	0.555	S	S	*	*	H	α-helix	trans	-67.8	-39	-179.3	-156	175.1	-172.1	178.3	0	111.9	E16 E17 E18 A24	E16-K20 VanDerWaalsContact O-CB 3.27Å; E16-K20 WeakPolarHBondContact O-CB 3.27Å; E16-K20 PolarHBondContact O-N 2.85Å; E17-K20 PolarHBondContact O-N 3.38Å; E18-K20 VanDerWaalsContact C-N 3.31Å; E18-K20 PolarHBondContact O-N 2.83Å; K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 2.88Å; K20-A24 VanDerWaalsContact O-N 3.09Å
21	S	72.1	Confident	66.1	Low	72 Å²	72	117.1 Å²	117.1	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-65.6	-48	173.9	-172.7	0	0	0	0	111.6	E17 E18 T23 A24 E25	E17-S21 WeakPolarHBondContact O-CB 3.19Å; E17-S21 PolarHBondContact O-N 2.92Å; E18-S21 PolarHBondContact O-N 3.45Å; S21-T23 VanDerWaalsContact C-N 3.34Å; S21-T23 PolarHBondContact O-N 2.63Å; S21-A24 PolarHBondContact O-N 3.44Å; S21-E25 WeakPolarHBondContact O-CB 3.28Å; S21-E25 PolarHBondContact O-N 2.86Å
22	L	68.3	Low	65.3	Low	95 Å²	95	113.1 Å²	113.1	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-39.2	178.1	-79	164	0	0	0	112	E18 I19 E25 I26	E18-L22 VanDerWaalsContact O-CB 3.28Å; E18-L22 WeakPolarHBondContact O-CB 3.34Å; E18-L22 VanDerWaalsContact O-CG 3.32Å; E18-L22 WeakPolarHBondContact O-CG 3.4Å; E18-L22 PolarHBondContact O-N 3.26Å; I19-L22 PolarHBondContact O-N 3.09Å; L22-E25 PolarHBondContact O-N 3.38Å; L22-I26 WeakPolarHBondContact O-CB 3.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.09Å
23	T	71.8	Confident	64.7	Low	70 Å²	70	112 Å²	112	43%	0.429	58%	0.58	S	S	.	*	H	α-helix	trans	-66.7	-42.3	177.1	-49.4	0	0	0	0	110.8	I19 S21 E25 I26 D27	I19-T23 WeakPolarHBondContact O-CB 3.32Å; I19-T23 PolarHBondContact O-N 3.35Å; I19-T23 PolarHBondContact O-OG1 3.44Å; S21-T23 VanDerWaalsContact C-N 3.34Å; S21-T23 PolarHBondContact O-N 2.63Å; T23-E25 VanDerWaalsContact C-N 3.32Å; T23-E25 PolarHBondContact O-N 3.36Å; T23-I26 PolarHBondContact O-N 2.95Å; T23-D27 PolarHBondContact O-N 3.47Å
24	A	69.3	Low	63.4	Low	47 Å²	47	113.2 Å²	113.2	39%	0.388	60%	0.595	S	S	.	*	H	α-helix	trans	-66.6	-33	175.8	0	0	0	0	0	112.8	K20 S21 R28	K20-A24 WeakPolarHBondContact O-CB 3.39Å; K20-A24 PolarHBondContact O-N 2.88Å; K20-A24 VanDerWaalsContact O-N 3.09Å; S21-A24 PolarHBondContact O-N 3.44Å; A24-R28 WeakPolarHBondContact O-CG 3.38Å; A24-R28 PolarHBondContact O-N 2.84Å; A24-R28 VanDerWaalsContact O-N 3.09Å
25	E	65.9	Low	62.7	Low	107 Å²	107	116.1 Å²	116.1	50%	0.5	61%	0.614	S	S	.	*	H	α-helix	trans	-73.1	-40.7	175	-167.5	166.1	-168	0	0	111.8	S21 L22 T23 D27 R28 L29	S21-E25 WeakPolarHBondContact O-CB 3.28Å; S21-E25 PolarHBondContact O-N 2.86Å; L22-E25 PolarHBondContact O-N 3.38Å; T23-E25 VanDerWaalsContact C-N 3.32Å; T23-E25 PolarHBondContact O-N 3.36Å; E25-D27 VanDerWaalsContact C-N 3.34Å; E25-D27 PolarHBondContact O-N 2.78Å; E25-R28 PolarHBondContact O-N 3.46Å; E25-L29 HydrophobicContact CG-CD1 4.05Å; E25-L29 WeakPolarHBondContact O-CB 3.44Å; E25-L29 VanDerWaalsContact O-CG 3.25Å; E25-L29 WeakPolarHBondContact O-CG 3.36Å; E25-L29 PolarHBondContact O-N 3.28Å
26	I	65.9	Low	61.7	Low	89 Å²	89	114.5 Å²	114.5	46%	0.456	63%	0.627	S	S	.	*	H	α-helix	trans	-60.3	-42.2	171.5	-72.9	166.9	0	0	0	111	L22 T23 L29 K30	L22-I26 WeakPolarHBondContact O-CB 3.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.25Å; L22-I26 PolarHBondContact O-N 3.09Å; T23-I26 PolarHBondContact O-N 2.95Å; I26-L29 PolarHBondContact O-N 3.22Å; I26-K30 HydrophobicContact CG2-CD 4.34Å; I26-K30 HydrophobicContact CG2-CG 4.49Å; I26-K30 WeakPolarHBondContact O-CB 3.4Å; I26-K30 WeakPolarHBondContact O-CG 3.44Å; I26-K30 PolarHBondContact O-N 3.35Å
27	D	62.4	Low	60.8	Low	80 Å²	80	113.1 Å²	113.1	43%	0.428	64%	0.638	S	S	.	*	H	α-helix	trans	-71.3	-30.6	178.8	-77.4	-20.2	0	0	0	112.7	T23 E25 N31	T23-D27 PolarHBondContact O-N 3.47Å; E25-D27 VanDerWaalsContact C-N 3.34Å; E25-D27 PolarHBondContact O-N 2.78Å; D27-N31 PolarHBondContact O-N 3.49Å; D27-N31 PolarHBondContact O-ND2 2.83Å
28	R	57.9	Low	59.8	Low	191 Å²	191	109.2 Å²	109.2	72%	0.721	63%	0.627	S	S	*	*	H	α-helix	trans	-70	-42.3	169.3	-76.6	-179.7	-163.7	177.2	6.4	111.8	A24 E25 N31 C32	A24-R28 WeakPolarHBondContact O-CG 3.38Å; A24-R28 PolarHBondContact O-N 2.84Å; A24-R28 VanDerWaalsContact O-N 3.09Å; E25-R28 PolarHBondContact O-N 3.46Å; R28-N31 PolarHBondContact O-N 2.89Å; R28-C32 WeakPolarHBondContact O-CB 3.35Å; R28-C32 PolarHBondContact O-N 3.34Å
29	L	55.2	Low	58.9	Low	118 Å²	118	108.4 Å²	108.4	62%	0.618	63%	0.632	S	S	*	*	H	α-helix	trans	-70.7	-30.7	178.3	-71.3	168.1	0	0	0	112.6	E25 I26 N31	E25-L29 HydrophobicContact CG-CD1 4.05Å; E25-L29 WeakPolarHBondContact O-CB 3.44Å; E25-L29 VanDerWaalsContact O-CG 3.25Å; E25-L29 WeakPolarHBondContact O-CG 3.36Å; E25-L29 PolarHBondContact O-N 3.28Å; I26-L29 PolarHBondContact O-N 3.22Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 2.93Å
30	K	57.9	Low	58.5	Low	161 Å²	161	107.8 Å²	107.8	70%	0.7	63%	0.63	S	S	*	*	H	α-helix	trans	-64.5	-32.8	169.4	-87.3	-179.9	177.1	174.3	0	112.6	I26	I26-K30 HydrophobicContact CG2-CD 4.34Å; I26-K30 HydrophobicContact CG2-CG 4.49Å; I26-K30 WeakPolarHBondContact O-CB 3.4Å; I26-K30 WeakPolarHBondContact O-CG 3.44Å; I26-K30 PolarHBondContact O-N 3.35Å
31	N	54.3	Low	58.1	Low	138 Å²	138	105.6 Å²	105.6	74%	0.738	63%	0.625	S	S	*	*	H	α-helix	trans	-96.6	-17.4	-176.3	-75	-47.8	0	0	0	114.1	D27 R28 L29	D27-N31 PolarHBondContact O-N 3.49Å; D27-N31 PolarHBondContact O-ND2 2.83Å; R28-N31 PolarHBondContact O-N 2.89Å; L29-N31 VanDerWaalsContact C-N 3.29Å; L29-N31 PolarHBondContact O-N 2.93Å
32	C	47.1	Very low	58	Low	101 Å²	101	109.3 Å²	109.3	68%	0.682	64%	0.635	S	S	*	*	S	Bend	trans	-116.7	99.9	178.2	-72.4	0	0	0	0	111.5	R28	R28-C32 WeakPolarHBondContact O-CB 3.35Å; R28-C32 PolarHBondContact O-N 3.34Å
33	G	51.7	Low	58.1	Low	71 Å²	71	110.6 Å²	110.6	73%	0.732	64%	0.638	S	S	*	*	S	Bend	trans	108.7	69.5	154.2	0	0	0	0	0	115.7
34	C	41.5	Very low	58.2	Low	127 Å²	127	112 Å²	112	86%	0.858	64%	0.643	S	S	*	*			trans	-165	115.5	140.5	-98.4	0	0	0	0	108.9	G36	C34-G36 PolarHBondContact O-N 3.12Å; C34-G36 VanDerWaalsContact O-N 3.12Å
35	L	51	Low	58.4	Low	194 Å²	194	115.3 Å²	115.3	100%	1.016	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	112.3	166.1	-76.3	139.6	0	0	0	108.9
36	G	48.6	Very low	58.9	Low	77 Å²	77	115.5 Å²	115.5	79%	0.794	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.2	25.4	157.5	0	0	0	0	0	120.5	C34	C34-G36 PolarHBondContact O-N 3.12Å; C34-G36 VanDerWaalsContact O-N 3.12Å
37	A	49	Very low	59.6	Low	101 Å²	101	116 Å²	116	84%	0.835	65%	0.651	S	S	*	*			trans	-101.4	89.8	162.4	0	0	0	0	0	109.6
38	S	51	Low	60.4	Low	62 Å²	62	116 Å²	116	43%	0.434	65%	0.651	S	S	.	*			trans	-89.9	131.8	-166.5	-176.4	0	0	0	0	113.5	N40	S38-N40 PolarHBondContact O-N 3.45Å; S38-N40 WeakPolarHBondContact OG-CB 3.46Å; S38-N40 PolarHBondContact OG-N 3.19Å; S38-N40 PolarHBondContact OG-ND2 3.13Å
39	P	53.8	Low	61.5	Low	107 Å²	107	112.7 Å²	112.7	70%	0.695	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-8.4	159.8	-24.1	33.4	0	0	0	115	L41	P39-L41 PolarHBondContact O-N 2.98Å
40	N	62.2	Low	62.8	Low	93 Å²	93	113.6 Å²	113.6	50%	0.497	65%	0.646	S	S	.	*	H	α-helix	trans	-67.8	-27.8	-179.2	-72.3	-19	0	0	0	114	S38 L44	S38-N40 PolarHBondContact O-N 3.45Å; S38-N40 WeakPolarHBondContact OG-CB 3.46Å; S38-N40 PolarHBondContact OG-N 3.19Å; S38-N40 PolarHBondContact OG-ND2 3.13Å; N40-L44 HydrophobicContact CB-CD1 4.21Å; N40-L44 WeakPolarHBondContact O-CB 3.47Å; N40-L44 WeakPolarHBondContact O-CD1 3.49Å; N40-L44 WeakPolarHBondContact O-CG 3.06Å; N40-L44 PolarHBondContact O-N 3.49Å
41	L	62.6	Low	63.9	Low	116 Å²	116	110.5 Å²	110.5	61%	0.607	64%	0.637	S	S	*	*	H	α-helix	trans	-69.8	-46.1	-172.2	-174.8	66.8	0	0	0	112.6	P39 L44 Q45	P39-L41 PolarHBondContact O-N 2.98Å; L41-L44 PolarHBondContact O-N 3.32Å; L41-Q45 WeakPolarHBondContact O-CB 3.32Å; L41-Q45 VanDerWaalsContact O-CG 3.32Å; L41-Q45 WeakPolarHBondContact O-CG 3.32Å; L41-Q45 PolarHBondContact O-N 3.25Å
42	E	69.9	Low	64.9	Low	150 Å²	150	110.5 Å²	110.5	70%	0.701	63%	0.63	S	S	*	*	H	α-helix	trans	-68.5	-40.6	179.2	-164.1	170.7	-160.1	0	0	110.6	L44 Q45 E46	E42-L44 PolarHBondContact O-N 2.96Å; E42-Q45 PolarHBondContact O-N 3Å; E42-E46 PolarHBondContact O-N 3.46Å
43	Q	72.1	Confident	66.6	Low	122 Å²	122	113.4 Å²	113.4	57%	0.57	63%	0.628	S	S	*	*	H	α-helix	trans	-61.6	-42.6	173.1	-170.5	173.6	0.3	0	0	112.3	E46 E47	Q43-E46 PolarHBondContact O-N 3.48Å; Q43-E47 VanDerWaalsContact O-CB 3.31Å; Q43-E47 WeakPolarHBondContact O-CB 3.03Å; Q43-E47 PolarHBondContact O-N 3.06Å
44	L	72.6	Confident	67.9	Low	100 Å²	100	118 Å²	118	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-67.8	-34.6	175.8	-75.3	167.9	0	0	0	112.1	N40 L41 E42 N48	N40-L44 HydrophobicContact CB-CD1 4.21Å; N40-L44 WeakPolarHBondContact O-CB 3.47Å; N40-L44 WeakPolarHBondContact O-CD1 3.49Å; N40-L44 WeakPolarHBondContact O-CG 3.06Å; N40-L44 PolarHBondContact O-N 3.49Å; L41-L44 PolarHBondContact O-N 3.32Å; E42-L44 PolarHBondContact O-N 2.96Å; L44-N48 VanDerWaalsContact O-CB 3.25Å; L44-N48 WeakPolarHBondContact O-CB 3.37Å; L44-N48 PolarHBondContact O-N 2.93Å
45	Q	73.8	Confident	69.4	Low	117 Å²	117	116.5 Å²	116.5	55%	0.547	61%	0.606	S	S	.	*	H	α-helix	trans	-68.3	-43.4	175	-77.5	177	-13.7	0	0	111.8	L41 E42 N48 L49	L41-Q45 WeakPolarHBondContact O-CB 3.32Å; L41-Q45 VanDerWaalsContact O-CG 3.32Å; L41-Q45 WeakPolarHBondContact O-CG 3.32Å; L41-Q45 PolarHBondContact O-N 3.25Å; E42-Q45 PolarHBondContact O-N 3Å; Q45-N48 PolarHBondContact O-N 2.91Å; Q45-L49 PolarHBondContact O-N 3.23Å
46	E	77.4	Confident	70.6	Confident	110 Å²	110	110.7 Å²	110.7	51%	0.514	58%	0.576	S	S	.	*	H	α-helix	trans	-62.5	-43.5	172.6	-78.3	-160.3	167.2	0	0	112.1	E42 Q43 N48 L49 K50	E42-E46 PolarHBondContact O-N 3.46Å; Q43-E46 PolarHBondContact O-N 3.48Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-L49 PolarHBondContact O-N 3.4Å; E46-K50 WeakPolarHBondContact O-CG 3.39Å; E46-K50 PolarHBondContact O-N 2.82Å; E46-K50 IonicContact OE2-NZ 3.37Å
47	E	80.6	Confident	72.1	Confident	101 Å²	101	110.3 Å²	110.3	47%	0.472	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-42.4	177.1	-171.9	173.1	-169.5	0	0	111.1	Q43 L49 K50 L51	Q43-E47 VanDerWaalsContact O-CB 3.31Å; Q43-E47 WeakPolarHBondContact O-CB 3.03Å; Q43-E47 PolarHBondContact O-N 3.06Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.86Å; E47-K50 PolarHBondContact O-N 3.14Å; E47-L51 HydrophobicContact CG-CD1 4.04Å; E47-L51 HydrophobicContact CG-CG 4.35Å; E47-L51 WeakPolarHBondContact O-CB 3.14Å; E47-L51 VanDerWaalsContact O-CG 3.28Å; E47-L51 WeakPolarHBondContact O-CG 3.04Å; E47-L51 PolarHBondContact O-N 3.38Å
48	N	78	Confident	73.3	Confident	78 Å²	78	110.4 Å²	110.4	42%	0.417	54%	0.541	S	S	.	.	H	α-helix	trans	-59.8	-43.1	175	-164.4	-75.7	0	0	0	111.8	L44 Q45 E46 L51 K52	L44-N48 VanDerWaalsContact O-CB 3.25Å; L44-N48 WeakPolarHBondContact O-CB 3.37Å; L44-N48 PolarHBondContact O-N 2.93Å; Q45-N48 PolarHBondContact O-N 2.91Å; E46-N48 VanDerWaalsContact C-N 3.34Å; N48-L51 PolarHBondContact O-N 2.83Å; N48-K52 WeakPolarHBondContact O-CB 3.32Å; N48-K52 WeakPolarHBondContact O-CG 3.44Å; N48-K52 PolarHBondContact O-N 3.01Å; N48-K52 WeakPolarHBondContact OD1-CD 3.3Å; N48-K52 WeakPolarHBondContact OD1-CE 3.41Å; N48-K52 PolarHBondContact OD1-NZ 2.91Å
49	L	82.1	Confident	74.3	Confident	122 Å²	122	112.8 Å²	112.8	64%	0.639	55%	0.545	S	S	*	.	H	α-helix	trans	-62.8	-46.8	174.6	-92.4	159	0	0	0	111.9	Q45 E46 E47 L51 K52 Y53	Q45-L49 PolarHBondContact O-N 3.23Å; E46-L49 PolarHBondContact O-N 3.4Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.86Å; L49-L51 PolarHBondContact O-N 3Å; L49-K52 PolarHBondContact O-N 3.31Å; L49-Y53 WeakPolarHBondContact O-CB 3.43Å; L49-Y53 PolarHBondContact O-N 3.28Å
50	K	81.1	Confident	75.3	Confident	138 Å²	138	114.5 Å²	114.5	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-60.4	-43.3	176.6	-75.8	173.4	-176	161.9	0	111.6	E46 E47 Y53 R54	E46-K50 WeakPolarHBondContact O-CG 3.39Å; E46-K50 PolarHBondContact O-N 2.82Å; E46-K50 IonicContact OE2-NZ 3.37Å; E47-K50 PolarHBondContact O-N 3.14Å; K50-Y53 PolarHBondContact O-N 2.94Å; K50-R54 WeakPolarHBondContact O-CB 3.41Å; K50-R54 PolarHBondContact O-N 3.25Å
51	L	81.6	Confident	75.7	Confident	95 Å²	95	113.1 Å²	113.1	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-67.2	-43.6	178.3	-71.9	173.2	0	0	0	112	E47 N48 L49 Y53 R54 L55	E47-L51 HydrophobicContact CG-CD1 4.04Å; E47-L51 HydrophobicContact CG-CG 4.35Å; E47-L51 WeakPolarHBondContact O-CB 3.14Å; E47-L51 VanDerWaalsContact O-CG 3.28Å; E47-L51 WeakPolarHBondContact O-CG 3.04Å; E47-L51 PolarHBondContact O-N 3.38Å; N48-L51 PolarHBondContact O-N 2.83Å; L49-L51 PolarHBondContact O-N 3Å; L51-Y53 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 3.25Å; L51-R54 PolarHBondContact O-N 3.12Å; L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 PolarHBondContact O-N 2.81Å
52	K	76.1	Confident	76.1	Confident	138 Å²	138	111.8 Å²	111.8	60%	0.6	53%	0.533	S	S	*	.	H	α-helix	trans	-61	-43.1	174.3	-79.5	174.1	174.3	159.5	0	112	N48 L49 L55 N56	N48-K52 WeakPolarHBondContact O-CB 3.32Å; N48-K52 WeakPolarHBondContact O-CG 3.44Å; N48-K52 PolarHBondContact O-N 3.01Å; N48-K52 WeakPolarHBondContact OD1-CD 3.3Å; N48-K52 WeakPolarHBondContact OD1-CE 3.41Å; N48-K52 PolarHBondContact OD1-NZ 2.91Å; L49-K52 PolarHBondContact O-N 3.31Å; K52-L55 PolarHBondContact O-N 3.16Å; K52-N56 PolarHBondContact O-N 2.77Å
53	Y	81.3	Confident	76.1	Confident	163 Å²	163	109.1 Å²	109.1	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-62.7	-46	175.6	-179.4	-105.4	0	0	0	111.7	L49 K50 L51 L55 N56 I57	L49-Y53 WeakPolarHBondContact O-CB 3.43Å; L49-Y53 PolarHBondContact O-N 3.28Å; K50-Y53 PolarHBondContact O-N 2.94Å; L51-Y53 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 3.25Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L55 PolarHBondContact O-N 3.29Å; Y53-N56 WeakPolarHBondContact O-CB 3.48Å; Y53-N56 PolarHBondContact O-N 3.32Å; Y53-I57 HydrophobicContact CD1-CD1 3.79Å; Y53-I57 HydrophobicContact CE1-CD1 3.21Å; Y53-I57 HydrophobicContact CE1-CG1 4.19Å; Y53-I57 HydrophobicContact CE2-CD1 4.4Å; Y53-I57 PolarHBondContact O-N 3.41Å
54	R	78.9	Confident	76	Confident	166 Å²	166	105.9 Å²	105.9	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-59.8	-43.2	175.4	-176	175.2	-178	174.4	0.5	111.9	K50 L51 N56 I57 L58	K50-R54 WeakPolarHBondContact O-CB 3.41Å; K50-R54 PolarHBondContact O-N 3.25Å; L51-R54 PolarHBondContact O-N 3.12Å; R54-N56 VanDerWaalsContact C-N 3.32Å; R54-N56 PolarHBondContact O-N 3.32Å; R54-I57 PolarHBondContact O-N 3.46Å; R54-L58 HydrophobicContact CG-CD1 4.14Å; R54-L58 HydrophobicContact CG-CG 4.45Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.41Å
55	L	73.6	Confident	76	Confident	97 Å²	97	106.5 Å²	106.5	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-60.3	-42.7	176.8	-172.6	151.8	0	0	0	111.1	L51 K52 Y53 L58 Q59	L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 PolarHBondContact O-N 2.81Å; K52-L55 PolarHBondContact O-N 3.16Å; Y53-L55 VanDerWaalsContact C-N 3.34Å; Y53-L55 PolarHBondContact O-N 3.29Å; L55-L58 PolarHBondContact O-N 3.01Å; L55-Q59 VanDerWaalsContact CD2-CD 3.44Å; L55-Q59 HydrophobicContact CD2-CG 4.13Å; L55-Q59 WeakPolarHBondContact O-CG 3.4Å; L55-Q59 PolarHBondContact O-N 3.49Å
56	N	76.6	Confident	75.6	Confident	71 Å²	71	104.3 Å²	104.3	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-43.7	175.9	-166.7	-70.3	0	0	0	112.3	K52 Y53 R54 Q59 K60	K52-N56 PolarHBondContact O-N 2.77Å; Y53-N56 WeakPolarHBondContact O-CB 3.48Å; Y53-N56 PolarHBondContact O-N 3.32Å; R54-N56 VanDerWaalsContact C-N 3.32Å; R54-N56 PolarHBondContact O-N 3.32Å; N56-Q59 PolarHBondContact O-N 3.39Å; N56-K60 WeakPolarHBondContact O-CG 3.45Å; N56-K60 PolarHBondContact O-N 3.4Å; N56-K60 WeakPolarHBondContact OD1-CE 3.45Å
57	I	80.8	Confident	75.1	Confident	70 Å²	70	104.6 Å²	104.6	36%	0.359	51%	0.506	S	S	.	.	H	α-helix	trans	-59.2	-49	174.6	-70.5	174.8	0	0	0	110.4	Y53 R54 Q59 K60 S61	Y53-I57 HydrophobicContact CD1-CD1 3.79Å; Y53-I57 HydrophobicContact CE1-CD1 3.21Å; Y53-I57 HydrophobicContact CE1-CG1 4.19Å; Y53-I57 HydrophobicContact CE2-CD1 4.4Å; Y53-I57 PolarHBondContact O-N 3.41Å; R54-I57 PolarHBondContact O-N 3.46Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 3.23Å; I57-K60 PolarHBondContact O-N 2.92Å; I57-K60 VanDerWaalsContact O-N 3.17Å; I57-S61 PolarHBondContact O-N 2.99Å; I57-S61 PolarHBondContact O-OG 2.92Å
58	L	74.4	Confident	74.2	Confident	102 Å²	102	105.2 Å²	105.2	53%	0.534	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-40	-179.9	-71.5	174	0	0	0	111.8	R54 L55 S61 L62	R54-L58 HydrophobicContact CG-CD1 4.14Å; R54-L58 HydrophobicContact CG-CG 4.45Å; R54-L58 WeakPolarHBondContact O-CG 3.47Å; R54-L58 PolarHBondContact O-N 3.41Å; L55-L58 PolarHBondContact O-N 3.01Å; L58-S61 PolarHBondContact O-N 2.86Å; L58-L62 VanDerWaalsContact O-CB 3.29Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 PolarHBondContact O-N 3.42Å
59	Q	71	Confident	73.3	Confident	112 Å²	112	107.5 Å²	107.5	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-43.1	174.4	-76.4	177.1	-29.2	0	0	112.3	L55 N56 I57 L62 Q63	L55-Q59 VanDerWaalsContact CD2-CD 3.44Å; L55-Q59 HydrophobicContact CD2-CG 4.13Å; L55-Q59 WeakPolarHBondContact O-CG 3.4Å; L55-Q59 PolarHBondContact O-N 3.49Å; N56-Q59 PolarHBondContact O-N 3.39Å; I57-Q59 VanDerWaalsContact C-N 3.31Å; I57-Q59 PolarHBondContact O-N 3.23Å; Q59-L62 PolarHBondContact O-N 3.46Å; Q59-Q63 WeakPolarHBondContact O-CB 3.31Å; Q59-Q63 PolarHBondContact O-N 3.37Å
60	K	74.2	Confident	72.5	Confident	144 Å²	144	105.1 Å²	105.1	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-44	175.8	-75.7	179.9	176.6	175.7	0	111.8	N56 I57 Q63 A64	N56-K60 WeakPolarHBondContact O-CG 3.45Å; N56-K60 PolarHBondContact O-N 3.4Å; N56-K60 WeakPolarHBondContact OD1-CE 3.45Å; I57-K60 PolarHBondContact O-N 2.92Å; I57-K60 VanDerWaalsContact O-N 3.17Å; K60-Q63 PolarHBondContact O-N 3.43Å; K60-A64 WeakPolarHBondContact O-CB 3.48Å; K60-A64 PolarHBondContact O-N 3.48Å
61	S	71.8	Confident	72.3	Confident	64 Å²	64	105.7 Å²	105.7	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-43.6	175.1	-65.1	0	0	0	0	111.7	I57 L58 Q63 A64 E65	I57-S61 PolarHBondContact O-N 2.99Å; I57-S61 PolarHBondContact O-OG 2.92Å; L58-S61 PolarHBondContact O-N 2.86Å; S61-Q63 VanDerWaalsContact C-N 3.35Å; S61-Q63 PolarHBondContact O-N 3.37Å; S61-A64 PolarHBondContact O-N 2.95Å; S61-E65 PolarHBondContact O-N 3.25Å
62	L	71.3	Confident	72.6	Confident	88 Å²	88	103.4 Å²	103.4	46%	0.461	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-42.9	176.1	-176	68.2	0	0	0	111.7	L58 Q59 A64 E65 R66	L58-L62 VanDerWaalsContact O-CB 3.29Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 PolarHBondContact O-N 3.42Å; Q59-L62 PolarHBondContact O-N 3.46Å; L62-A64 VanDerWaalsContact C-N 3.35Å; L62-E65 PolarHBondContact O-N 3.31Å; L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 WeakPolarHBondContact O-CG 3.25Å; L62-R66 PolarHBondContact O-N 3.03Å
63	Q	69.8	Low	73.4	Confident	94 Å²	94	97.1 Å²	97.1	44%	0.439	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-39.3	176.4	-169.1	63.4	38.1	0	0	111.8	Q59 K60 S61 R66 N67	Q59-Q63 WeakPolarHBondContact O-CB 3.31Å; Q59-Q63 PolarHBondContact O-N 3.37Å; K60-Q63 PolarHBondContact O-N 3.43Å; S61-Q63 VanDerWaalsContact C-N 3.35Å; S61-Q63 PolarHBondContact O-N 3.37Å; Q63-R66 PolarHBondContact O-N 3.06Å; Q63-N67 PolarHBondContact NE2-OD1 3.41Å; Q63-N67 WeakPolarHBondContact O-CB 3.36Å; Q63-N67 PolarHBondContact O-N 3.04Å; Q63-N67 PolarHBondContact O-OD1 3.01Å
64	A	70.3	Confident	73.9	Confident	53 Å²	53	90.5 Å²	90.5	44%	0.438	46%	0.456	S	S	.	.	H	α-helix	trans	-64.7	-40.7	177.1	0	0	0	0	0	112.2	K60 S61 L62	K60-A64 WeakPolarHBondContact O-CB 3.48Å; K60-A64 PolarHBondContact O-N 3.48Å; S61-A64 PolarHBondContact O-N 2.95Å; L62-A64 VanDerWaalsContact C-N 3.35Å
65	E	70.9	Confident	74.5	Confident	113 Å²	113	83.8 Å²	83.8	53%	0.528	43%	0.432	S	S	.	.	H	α-helix	trans	-69.2	-38.9	174	-68.7	-55.4	143.6	0	0	112.1	S61 L62 N67 K68	S61-E65 PolarHBondContact O-N 3.25Å; L62-E65 PolarHBondContact O-N 3.31Å; E65-N67 VanDerWaalsContact C-N 3.31Å; E65-N67 PolarHBondContact O-N 2.76Å; E65-K68 WeakPolarHBondContact O-CB 3.41Å; E65-K68 PolarHBondContact O-N 3.1Å; E65-K68 VanDerWaalsContact O-N 3.16Å; E65-K68 IonicContact OE1-NZ 3.72Å; E65-K68 PolarHBondContact OE1-NZ 3.47Å; E65-K68 WeakPolarHBondContact OE2-CD 3.28Å; E65-K68 IonicContact OE2-NZ 2.85Å; E65-K68 PolarHBondContact OE2-NZ 2.88Å
66	R	66.4	Low	75.4	Confident	72 Å²	72	79.3 Å²	79.3	27%	0.272	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-35.5	175.2	-81.2	178.7	168.9	179.5	-6	113.3	L62 Q63 K68 E82	L62-R66 WeakPolarHBondContact O-CB 3.43Å; L62-R66 WeakPolarHBondContact O-CG 3.25Å; L62-R66 PolarHBondContact O-N 3.03Å; Q63-R66 PolarHBondContact O-N 3.06Å; R66-K68 PolarHBondContact O-N 3.02Å; R66-E82 IonicContact CZ-OE2 3.73Å; R66-E82 IonicContact NH2-OE2 3.96Å; R66-E82 PolarHBondContact NH2-OE2 3.09Å
67	N	65.6	Low	76.2	Confident	115 Å²	115	77 Å²	77	62%	0.615	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.7	178.4	-72.2	-5.1	0	0	0	112.8	Q63 E65	Q63-N67 PolarHBondContact NE2-OD1 3.41Å; Q63-N67 WeakPolarHBondContact O-CB 3.36Å; Q63-N67 PolarHBondContact O-N 3.04Å; Q63-N67 PolarHBondContact O-OD1 3.01Å; E65-N67 VanDerWaalsContact C-N 3.31Å; E65-N67 PolarHBondContact O-N 2.76Å
68	K	63.4	Low	76.7	Confident	114 Å²	114	75.6 Å²	75.6	50%	0.496	39%	0.393	S	S	.	.	S	Bend	trans	-77.2	127.7	173.6	-69.7	179.7	-168.4	160.2	0	109.3	E65 R66 T70	E65-K68 WeakPolarHBondContact O-CB 3.41Å; E65-K68 PolarHBondContact O-N 3.1Å; E65-K68 VanDerWaalsContact O-N 3.16Å; E65-K68 IonicContact OE1-NZ 3.72Å; E65-K68 PolarHBondContact OE1-NZ 3.47Å; E65-K68 WeakPolarHBondContact OE2-CD 3.28Å; E65-K68 IonicContact OE2-NZ 2.85Å; E65-K68 PolarHBondContact OE2-NZ 2.88Å; R66-K68 PolarHBondContact O-N 3.02Å; K68-T70 PolarHBondContact O-N 2.89Å
69	P	58.8	Low	77.5	Confident	126 Å²	126	73.1 Å²	73.1	82%	0.818	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-61.3	125.4	177	23.9	-31.7	0	0	0	110
70	T	63.8	Low	78.7	Confident	73 Å²	73	67.8 Å²	67.8	45%	0.448	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-81.6	131.7	178.7	47.7	0	0	0	0	110.5	K68 N72	K68-T70 PolarHBondContact O-N 2.89Å; T70-N72 PolarHBondContact O-N 3.25Å
71	K	78.4	Confident	79.6	Confident	149 Å²	149	64 Å²	64	65%	0.648	34%	0.336	S	S	*	.	S	Bend	trans	-72.8	-14.8	173.4	-66.2	-177.5	177.6	-178.3	0	113.3	N181	K71-N181 HydrophobicContact CB-CB 4.34Å; K71-N181 WeakPolarHBondContact O-CB 3.38Å; K71-N181 PolarHBondContact O-ND2 3.22Å
72	N	87.4	Confident	80.6	Confident	47 Å²	47	64.7 Å²	64.7	25%	0.251	33%	0.332	S	S	.	.	S	Bend	trans	-103.2	160.2	-171.7	-55.7	-29.1	0	0	0	111.7	T70 P186	T70-N72 PolarHBondContact O-N 3.25Å; N72-P186 HydrophobicContact CB-CB 4.48Å
73	M	92.4	Very high	81.7	Confident	6 Å²	6	61 Å²	61	3%	0.03	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-67.1	143.2	172.8	-62.9	-175.3	71.6	0	0	111.2	L178 V183 Q184 P186 L579 F581 P582	M73-L178 HydrophobicContact CE-CD2 3.89Å; M73-L178 HydrophobicContact CG-CB 4.01Å; M73-L178 HydrophobicContact SD-CB 4.13Å; M73-L178 HydrophobicContact SD-CD2 4.43Å; M73-V183 HydrophobicContact SD-CB 4.49Å; M73-V183 HydrophobicContact SD-CG1 3.84Å; M73-Q184 PolarHBondContact N-O 3.45Å; M73-P186 WeakPolarHBondContact O-CD 3.4Å; M73-L579 HydrophobicContact CE-CD2 4.16Å; M73-F581 HydrophobicContact CE-CB 4.47Å; M73-F581 HydrophobicContact SD-CD1 4.43Å; M73-P582 HydrophobicContact CB-CG 3.69Å; M73-P582 HydrophobicContact CE-CG 4.06Å; M73-P582 HydrophobicContact SD-CG 4.38Å
74	I	91.1	Very high	82.9	Confident	25 Å²	25	56.6 Å²	56.6	13%	0.128	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-96.7	137.5	178.9	-61.5	168.4	0	0	0	110.1	I76 R79 F170	I74-I76 PolarHBondContact O-N 3.29Å; I74-R79 HydrophobicContact CG2-CB 4.05Å; I74-F170 HydrophobicContact CD1-CE2 4.36Å
75	N	91.9	Very high	84	Confident	24 Å²	24	55 Å²	55	13%	0.128	28%	0.282	C	S	.	.			trans	-75.1	102.1	163.1	-177.8	-31.8	0	0	0	108.8	N77 S78 R79 P582 Q586	N75-N77 VanDerWaalsContact C-N 3.31Å; N75-N77 PolarHBondContact O-N 2.88Å; N75-N77 WeakPolarHBondContact OD1-CB 3.36Å; N75-N77 PolarHBondContact OD1-N 3.42Å; N75-S78 VanDerWaalsContact CG-OG 3.24Å; N75-S78 PolarHBondContact ND2-OG 3.49Å; N75-S78 PolarHBondContact O-N 2.83Å; N75-S78 PolarHBondContact OD1-N 2.92Å; N75-S78 PolarHBondContact OD1-OG 3.47Å; N75-R79 PolarHBondContact O-N 3.39Å; N75-P582 HydrophobicContact CB-CB 4.22Å; N75-Q586 WeakPolarHBondContact ND2-CB 3.16Å
76	I	92.8	Very high	85.1	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-41.1	-174.9	-62	171.6	0	0	0	110.2	I74 S78 R79 L80 Y113 L166 F170 L579 E583	I74-I76 PolarHBondContact O-N 3.29Å; I76-S78 PolarHBondContact O-N 3.46Å; I76-R79 PolarHBondContact O-N 3.42Å; I76-L80 HydrophobicContact CG2-CD1 3.96Å; I76-L80 HydrophobicContact CG2-CG 4.18Å; I76-L80 WeakPolarHBondContact O-CB 3.3Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.39Å; I76-L80 PolarHBondContact O-N 3.05Å; I76-Y113 HydrophobicContact CG2-CD2 4.49Å; I76-Y113 HydrophobicContact CG2-CE2 3.85Å; I76-L166 HydrophobicContact CD1-CD1 4.46Å; I76-L166 HydrophobicContact CG2-CD2 4.21Å; I76-F170 HydrophobicContact CD1-CE1 4.21Å; I76-F170 HydrophobicContact CG1-CE1 4.16Å; I76-L579 HydrophobicContact CD1-CB 3.72Å; I76-L579 HydrophobicContact CD1-CD1 4.11Å; I76-E583 VanDerWaalsContact CB-OE1 3.27Å; I76-E583 WeakPolarHBondContact CB-OE1 3.26Å; I76-E583 PolarHBondContact N-OE1 3.47Å
77	N	93.1	Very high	86.4	Confident	23 Å²	23	50.7 Å²	50.7	12%	0.123	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-50.3	177.2	-166.6	-76.2	0	0	0	111.8	N75 R79 L80 Q81 V102 Y113 E583	N75-N77 VanDerWaalsContact C-N 3.31Å; N75-N77 PolarHBondContact O-N 2.88Å; N75-N77 WeakPolarHBondContact OD1-CB 3.36Å; N75-N77 PolarHBondContact OD1-N 3.42Å; N77-R79 PolarHBondContact O-N 2.92Å; N77-L80 PolarHBondContact O-N 3.41Å; N77-Q81 WeakPolarHBondContact O-CG 3.47Å; N77-Q81 PolarHBondContact O-N 3.41Å; N77-Q81 PolarHBondContact OD1-NE2 3.5Å; N77-V102 PolarHBondContact ND2-O 3.38Å; N77-Y113 HydrophobicContact CB-CE1 4.37Å; N77-E583 HydrophobicContact CB-CG 4.28Å; N77-E583 WeakPolarHBondContact CB-OE1 3.32Å; N77-E583 PolarHBondContact N-OE1 3Å
78	S	91.1	Very high	87.8	Confident	40 Å²	40	45.3 Å²	45.3	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-41.4	176.8	-60.5	0	0	0	0	111.9	N75 I76 L80 Q81 E82	N75-S78 VanDerWaalsContact CG-OG 3.24Å; N75-S78 PolarHBondContact ND2-OG 3.49Å; N75-S78 PolarHBondContact O-N 2.83Å; N75-S78 PolarHBondContact OD1-N 2.92Å; N75-S78 PolarHBondContact OD1-OG 3.47Å; I76-S78 PolarHBondContact O-N 3.46Å; S78-L80 VanDerWaalsContact C-N 3.35Å; S78-L80 PolarHBondContact O-N 3.44Å; S78-Q81 WeakPolarHBondContact O-CB 3.44Å; S78-Q81 PolarHBondContact O-N 2.93Å; S78-E82 WeakPolarHBondContact O-CG 3.26Å; S78-E82 PolarHBondContact O-N 2.79Å
79	R	91.8	Very high	89.2	Confident	50 Å²	50	47.2 Å²	47.2	19%	0.189	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-40.9	175.6	-178.9	53.2	59.1	111.8	-5.2	111.9	I74 N75 I76 N77 E82 V83 E149	I74-R79 HydrophobicContact CG2-CB 4.05Å; N75-R79 PolarHBondContact O-N 3.39Å; I76-R79 PolarHBondContact O-N 3.42Å; N77-R79 PolarHBondContact O-N 2.92Å; R79-E82 IonicContact NE-OE2 2.83Å; R79-E82 WeakPolarHBondContact O-CB 3.3Å; R79-E82 PolarHBondContact O-N 3.34Å; R79-V83 WeakPolarHBondContact O-CG2 3.2Å; R79-V83 PolarHBondContact O-N 3.14Å; R79-E149 IonicContact CZ-OE1 3.92Å; R79-E149 IonicContact NH1-OE1 2.73Å; R79-E149 PolarHBondContact NH1-OE1 3.27Å
80	L	95.3	Very high	90.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-41.3	174.6	-70.9	175.4	0	0	0	111.5	I76 N77 S78 E82 V83 F84 V102 Y113 I151 V164	I76-L80 HydrophobicContact CG2-CD1 3.96Å; I76-L80 HydrophobicContact CG2-CG 4.18Å; I76-L80 WeakPolarHBondContact O-CB 3.3Å; I76-L80 VanDerWaalsContact O-CG 3.31Å; I76-L80 WeakPolarHBondContact O-CG 3.39Å; I76-L80 PolarHBondContact O-N 3.05Å; N77-L80 PolarHBondContact O-N 3.41Å; S78-L80 VanDerWaalsContact C-N 3.35Å; S78-L80 PolarHBondContact O-N 3.44Å; L80-E82 VanDerWaalsContact C-N 3.29Å; L80-E82 PolarHBondContact O-N 3.15Å; L80-V83 PolarHBondContact O-N 2.98Å; L80-F84 VanDerWaalsContact O-CD2 3.24Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 2.94Å; L80-V102 HydrophobicContact CB-CG1 3.97Å; L80-V102 HydrophobicContact CD1-CG1 4.03Å; L80-Y113 HydrophobicContact CD1-CD1 3.81Å; L80-Y113 HydrophobicContact CD1-CD2 3.84Å; L80-Y113 HydrophobicContact CD1-CE1 4.39Å; L80-Y113 HydrophobicContact CD1-CE2 4.46Å; L80-Y113 HydrophobicContact CD1-CG 3.51Å; L80-I151 HydrophobicContact CD2-CD1 3.88Å; L80-I151 HydrophobicContact CD2-CG1 3.86Å; L80-V164 HydrophobicContact CD2-CG1 4.25Å
81	Q	94.2	Very high	92.2	Very high	65 Å²	65	41.3 Å²	41.3	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-59.4	-39.4	174	-71.6	176.3	3.5	0	0	111.7	N77 S78 G85 V102	N77-Q81 WeakPolarHBondContact O-CG 3.47Å; N77-Q81 PolarHBondContact O-N 3.41Å; N77-Q81 PolarHBondContact OD1-NE2 3.5Å; S78-Q81 WeakPolarHBondContact O-CB 3.44Å; S78-Q81 PolarHBondContact O-N 2.93Å; Q81-G85 WeakPolarHBondContact O-CA 3.39Å; Q81-G85 PolarHBondContact O-N 3.33Å; Q81-V102 HydrophobicContact CG-CB 4.01Å; Q81-V102 HydrophobicContact CG-CG2 3.8Å
82	E	91.9	Very high	92.8	Very high	77 Å²	77	36 Å²	36	36%	0.36	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-44.8	173.4	-72.3	176.7	-150.9	0	0	112.3	R66 S78 R79 L80 G85 H86	R66-E82 IonicContact CZ-OE2 3.73Å; R66-E82 IonicContact NH2-OE2 3.96Å; R66-E82 PolarHBondContact NH2-OE2 3.09Å; S78-E82 WeakPolarHBondContact O-CG 3.26Å; S78-E82 PolarHBondContact O-N 2.79Å; R79-E82 IonicContact NE-OE2 2.83Å; R79-E82 WeakPolarHBondContact O-CB 3.3Å; R79-E82 PolarHBondContact O-N 3.34Å; L80-E82 VanDerWaalsContact C-N 3.29Å; L80-E82 PolarHBondContact O-N 3.15Å; E82-G85 PolarHBondContact O-N 2.93Å; E82-H86 PolarHBondContact O-N 2.95Å; E82-H86 VanDerWaalsContact O-N 3.09Å; E82-H86 PolarHBondContact O-ND1 3.24Å
83	V	94.4	Very high	92.9	Very high	12 Å²	12	38.2 Å²	38.2	7%	0.073	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-49	178.5	171.6	0	0	0	0	110.5	R79 L80 G85 H86 A87 L145 P146 N148 I151	R79-V83 WeakPolarHBondContact O-CG2 3.2Å; R79-V83 PolarHBondContact O-N 3.14Å; L80-V83 PolarHBondContact O-N 2.98Å; V83-G85 VanDerWaalsContact C-N 3.33Å; V83-G85 PolarHBondContact O-N 3.32Å; V83-H86 PolarHBondContact O-N 3.26Å; V83-A87 PolarHBondContact O-N 3.04Å; V83-A87 VanDerWaalsContact O-N 3.07Å; V83-L145 HydrophobicContact CG1-CD2 3.83Å; V83-P146 HydrophobicContact CG1-CG 4.22Å; V83-N148 HydrophobicContact CG2-CB 4.21Å; V83-I151 HydrophobicContact CG1-CD1 4.06Å
84	F	96.1	Very high	92.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-34.4	176.3	-80.1	-68.6	0	0	0	112.6	L80 H86 A87 I88 L100 V102 C115 I141 L145 I162 V164	L80-F84 VanDerWaalsContact O-CD2 3.24Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 2.94Å; F84-H86 VanDerWaalsContact C-N 3.35Å; F84-H86 PolarHBondContact O-N 3.31Å; F84-A87 PolarHBondContact O-N 2.93Å; F84-I88 HydrophobicContact CB-CD1 4.31Å; F84-I88 VanDerWaalsContact O-CB 3.3Å; F84-I88 WeakPolarHBondContact O-CB 3.41Å; F84-I88 WeakPolarHBondContact O-CD1 3.37Å; F84-I88 WeakPolarHBondContact O-CG1 3.34Å; F84-I88 PolarHBondContact O-N 3Å; F84-L100 HydrophobicContact CB-CD2 4.4Å; F84-V102 HydrophobicContact CD2-CG2 3.96Å; F84-C115 HydrophobicContact CD1-CB 4.35Å; F84-C115 HydrophobicContact CD2-CB 4.06Å; F84-C115 HydrophobicContact CE1-CB 4.01Å; F84-C115 HydrophobicContact CE2-CB 3.71Å; F84-C115 HydrophobicContact CG-CB 4.38Å; F84-C115 HydrophobicContact CZ-CB 3.69Å; F84-I141 HydrophobicContact CD1-CG2 3.95Å; F84-I141 HydrophobicContact CE1-CG2 4.27Å; F84-L145 HydrophobicContact CD1-CD2 4.03Å; F84-L145 HydrophobicContact CE1-CD2 3.94Å; F84-I162 HydrophobicContact CE1-CD1 4.18Å; F84-I162 HydrophobicContact CE1-CG2 4.05Å; F84-I162 HydrophobicContact CZ-CG2 4.01Å; F84-V164 HydrophobicContact CE2-CG2 3.86Å; F84-V164 HydrophobicContact CZ-CG2 3.71Å
85	G	94	Very high	92.5	Very high	21 Å²	21	44 Å²	44	22%	0.216	24%	0.238	C	C	.	.	H	α-helix	trans	-59.8	-43.8	174.7	0	0	0	0	0	112.3	Q81 E82 V83 K89	Q81-G85 WeakPolarHBondContact O-CA 3.39Å; Q81-G85 PolarHBondContact O-N 3.33Å; E82-G85 PolarHBondContact O-N 2.93Å; V83-G85 VanDerWaalsContact C-N 3.33Å; V83-G85 PolarHBondContact O-N 3.32Å; G85-K89 VanDerWaalsContact O-CB 3.26Å; G85-K89 WeakPolarHBondContact O-CB 3.48Å; G85-K89 PolarHBondContact O-N 2.79Å
86	H	92.1	Very high	92.3	Very high	94 Å²	94	50.7 Å²	50.7	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-46.8	173.1	-71.3	102.9	0	0	0	111.9	E82 V83 F84 I88 K89 A90 P146	E82-H86 PolarHBondContact O-N 2.95Å; E82-H86 VanDerWaalsContact O-N 3.09Å; E82-H86 PolarHBondContact O-ND1 3.24Å; V83-H86 PolarHBondContact O-N 3.26Å; F84-H86 VanDerWaalsContact C-N 3.35Å; F84-H86 PolarHBondContact O-N 3.31Å; H86-I88 PolarHBondContact O-N 3.14Å; H86-K89 PolarHBondContact O-N 2.89Å; H86-A90 VanDerWaalsContact O-CB 3.32Å; H86-A90 WeakPolarHBondContact O-CB 3.4Å; H86-A90 PolarHBondContact O-N 2.93Å; H86-P146 HydrophobicContact CB-CG 4.26Å
87	A	95.2	Very high	92	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-44.4	-178.9	0	0	0	0	0	112.6	V83 F84 A90 A91 I141 H144 L145	V83-A87 PolarHBondContact O-N 3.04Å; V83-A87 VanDerWaalsContact O-N 3.07Å; F84-A87 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 3.42Å; A87-A91 VanDerWaalsContact O-CB 3.3Å; A87-A91 WeakPolarHBondContact O-CB 3.29Å; A87-A91 PolarHBondContact O-N 2.89Å; A87-I141 HydrophobicContact CB-CG2 4.16Å; A87-H144 WeakPolarHBondContact CA-O 3.35Å; A87-H144 WeakPolarHBondContact CB-O 3.48Å; A87-L145 HydrophobicContact CB-CD2 3.8Å; A87-L145 HydrophobicContact CB-CG 4.21Å
88	I	95	Very high	91.9	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-44.6	179	-69.4	161.9	0	0	0	110.5	F84 H86 A90 A91 Y92 P98 L100 I121 I141	F84-I88 HydrophobicContact CB-CD1 4.31Å; F84-I88 VanDerWaalsContact O-CB 3.3Å; F84-I88 WeakPolarHBondContact O-CB 3.41Å; F84-I88 WeakPolarHBondContact O-CD1 3.37Å; F84-I88 WeakPolarHBondContact O-CG1 3.34Å; F84-I88 PolarHBondContact O-N 3Å; H86-I88 PolarHBondContact O-N 3.14Å; I88-A90 VanDerWaalsContact C-N 3.31Å; I88-A90 PolarHBondContact O-N 2.86Å; I88-A91 PolarHBondContact O-N 3.31Å; I88-Y92 PolarHBondContact O-N 3.2Å; I88-P98 HydrophobicContact CG2-CB 3.97Å; I88-P98 HydrophobicContact CG2-CG 3.53Å; I88-L100 HydrophobicContact CD1-CD2 3.51Å; I88-I121 HydrophobicContact CD1-CD1 4.16Å; I88-I121 HydrophobicContact CG1-CD1 4.14Å; I88-I121 HydrophobicContact CG2-CD1 3.71Å; I88-I141 HydrophobicContact CD1-CD1 4.4Å; I88-I141 HydrophobicContact CG1-CD1 3.77Å; I88-I141 HydrophobicContact CG1-CG1 3.87Å; I88-I141 HydrophobicContact CG1-CG2 4.03Å
89	K	93.3	Very high	91.9	Very high	154 Å²	154	57.9 Å²	57.9	67%	0.67	31%	0.307	S	S	*	.	H	α-helix	trans	-65.1	-35.2	178.2	-171.9	174.6	-176.1	175.1	0	112.2	G85 H86 Y92 P93	G85-K89 VanDerWaalsContact O-CB 3.26Å; G85-K89 WeakPolarHBondContact O-CB 3.48Å; G85-K89 PolarHBondContact O-N 2.79Å; H86-K89 PolarHBondContact O-N 2.89Å; K89-Y92 CarbonylContact O-C 3.57Å; K89-P93 WeakPolarHBondContact O-CA 3.46Å
90	A	91.6	Very high	92	Very high	62 Å²	62	58.5 Å²	58.5	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-69.2	-41.6	174.3	0	0	0	0	0	111.9	H86 A87 I88 H144	H86-A90 VanDerWaalsContact O-CB 3.32Å; H86-A90 WeakPolarHBondContact O-CB 3.4Å; H86-A90 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 3.42Å; I88-A90 VanDerWaalsContact C-N 3.31Å; I88-A90 PolarHBondContact O-N 2.86Å; A90-H144 HydrophobicContact CB-CB 4.38Å
91	A	92.9	Very high	91.9	Very high	14 Å²	14	63 Å²	63	12%	0.116	34%	0.338	C	S	.	.	H	α-helix	trans	-72.8	-31.3	178.9	0	0	0	0	0	113.3	A87 I88 H144	A87-A91 VanDerWaalsContact O-CB 3.3Å; A87-A91 WeakPolarHBondContact O-CB 3.29Å; A87-A91 PolarHBondContact O-N 2.89Å; I88-A91 PolarHBondContact O-N 3.31Å; A91-H144 HydrophobicContact CB-CB 4.21Å
92	Y	91.3	Very high	91.9	Very high	38 Å²	38	60.3 Å²	60.3	15%	0.149	33%	0.325	C	S	.	.			trans	-138.1	75.5	-175.7	-59.3	-78.4	0	0	0	111.3	I88 K89 D94 L95 L125 I137 N140 I141	I88-Y92 PolarHBondContact O-N 3.2Å; K89-Y92 CarbonylContact O-C 3.57Å; Y92-D94 VanDerWaalsContact C-N 3.28Å; Y92-D94 PolarHBondContact O-N 3.44Å; Y92-L95 PolarHBondContact O-N 2.84Å; Y92-L125 HydrophobicContact CD1-CD1 4.45Å; Y92-L125 HydrophobicContact CE1-CD1 4.19Å; Y92-I137 HydrophobicContact CE2-CG2 3.93Å; Y92-I137 WeakPolarHBondContact OH-CA 3.35Å; Y92-N140 PolarHBondContact OH-ND2 2.8Å; Y92-I141 HydrophobicContact CE2-CG1 4.22Å
93	P	88.7	Confident	91.9	Very high	92 Å²	92	59.6 Å²	59.6	60%	0.597	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-27.8	-174.5	25.9	-34.9	0	0	0	113.9	K89 L95	K89-P93 WeakPolarHBondContact O-CA 3.46Å; P93-L95 VanDerWaalsContact C-N 3.26Å; P93-L95 PolarHBondContact O-N 3.02Å
94	D	86.8	Confident	91.8	Very high	139 Å²	139	61.3 Å²	61.3	74%	0.743	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	4.4	-178.3	-53.7	-45.9	0	0	0	113.5	Y92 K128	Y92-D94 VanDerWaalsContact C-N 3.28Å; Y92-D94 PolarHBondContact O-N 3.44Å; D94-K128 PolarHBondContact O-NZ 3Å
95	L	88.1	Confident	91.6	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.079	35%	0.345	C	S	.	.			trans	-98.9	110.9	-179.5	-165	65.3	0	0	0	110.3	Y92 P93 P98 I121 M124 L125	Y92-L95 PolarHBondContact O-N 2.84Å; P93-L95 VanDerWaalsContact C-N 3.26Å; P93-L95 PolarHBondContact O-N 3.02Å; L95-P98 HydrophobicContact CD2-CB 3.74Å; L95-P98 HydrophobicContact CD2-CG 4.38Å; L95-P98 HydrophobicContact CG-CB 4.22Å; L95-I121 HydrophobicContact CD2-CB 4.32Å; L95-I121 HydrophobicContact CD2-CG1 4.01Å; L95-I121 HydrophobicContact CD2-CG2 3.69Å; L95-M124 HydrophobicContact CD1-CB 4.15Å; L95-M124 HydrophobicContact CD1-CE 3.89Å; L95-M124 HydrophobicContact CD1-SD 4.45Å; L95-M124 HydrophobicContact CG-CE 4.34Å; L95-L125 HydrophobicContact CD1-CD2 4.48Å
96	E	87.9	Confident	90.8	Very high	163 Å²	163	70.4 Å²	70.4	76%	0.762	38%	0.377	S	S	*	.			trans	-82.5	130.8	175.9	-63.8	-176	179	0	0	110.7	M124	E96-M124 WeakPolarHBondContact O-CE 3.21Å
97	N	86.8	Confident	90.3	Very high	153 Å²	153	70.1 Å²	70.1	82%	0.818	38%	0.376	S	S	*	.	S	Bend	trans	46.8	56.4	174.3	-59.9	-30.4	0	0	0	115.3
98	P	91.1	Very high	89.6	Confident	28 Å²	28	73.9 Å²	73.9	18%	0.182	40%	0.4	C	S	.	.			trans	-63.2	150.8	173.5	27	-32.9	0	0	0	111.4	I88 L95 L100 I121	I88-P98 HydrophobicContact CG2-CB 3.97Å; I88-P98 HydrophobicContact CG2-CG 3.53Å; L95-P98 HydrophobicContact CD2-CB 3.74Å; L95-P98 HydrophobicContact CD2-CG 4.38Å; L95-P98 HydrophobicContact CG-CB 4.22Å; P98-L100 PolarHBondContact O-N 3.45Å; P98-I121 HydrophobicContact CB-CD1 4.32Å; P98-I121 HydrophobicContact CB-CG1 3.95Å
99	P	91.1	Very high	89.2	Confident	38 Å²	38	80.5 Å²	80.5	25%	0.247	43%	0.429	C	S	.	.			trans	-62.8	134.3	176.5	24.8	-31.7	0	0	0	110.5	L101 S117 M124	P99-L101 HydrophobicContact CB-CD1 4.37Å; P99-L101 HydrophobicContact CB-CG 4.24Å; P99-S117 WeakPolarHBondContact O-CB 3.24Å; P99-S117 PolarHBondContact O-OG 2.83Å; P99-M124 VanDerWaalsContact CD-SD 3.58Å
100	L	93.7	Very high	88.9	Confident	63 Å²	63	76.7 Å²	76.7	33%	0.33	41%	0.413	S	S	.	.			trans	-112.6	84.7	174.1	-69	175.1	0	0	0	109.1	F84 I88 P98	F84-L100 HydrophobicContact CB-CD2 4.4Å; I88-L100 HydrophobicContact CD1-CD2 3.51Å; P98-L100 PolarHBondContact O-N 3.45Å
101	L	93	Very high	88.9	Confident	95 Å²	95	73.8 Å²	73.8	50%	0.497	39%	0.389	S	S	.	.			trans	-104.4	87.5	-174.4	-63.5	175.2	0	0	0	109.9	P99 C115 N116 S117	P99-L101 HydrophobicContact CB-CD1 4.37Å; P99-L101 HydrophobicContact CB-CG 4.24Å; L101-C115 CarbonylContact O-C 3.42Å; L101-C115 WeakPolarHBondContact O-CA 3.47Å; L101-N116 HydrophobicContact CB-CB 4.07Å; L101-N116 PolarHBondContact O-N 3.48Å; L101-S117 PolarHBondContact N-OG 3.24Å; L101-S117 VanDerWaalsContact N-OG 3.12Å
102	V	94.7	Very high	89	Confident	7 Å²	7	73.5 Å²	73.5	4%	0.042	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.2	173.2	-176.7	0	0	0	0	108.9	N77 L80 Q81 F84 Y113 Q114 C115	N77-V102 PolarHBondContact ND2-O 3.38Å; L80-V102 HydrophobicContact CB-CG1 3.97Å; L80-V102 HydrophobicContact CD1-CG1 4.03Å; Q81-V102 HydrophobicContact CG-CB 4.01Å; Q81-V102 HydrophobicContact CG-CG2 3.8Å; F84-V102 HydrophobicContact CD2-CG2 3.96Å; V102-Y113 HydrophobicContact CG1-CD1 4.08Å; V102-Q114 WeakPolarHBondContact CA-O 3.35Å; V102-C115 HydrophobicContact CG2-CB 4.3Å
103	T	92.9	Very high	89.2	Confident	62 Å²	62	72 Å²	72	38%	0.38	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.5	-179.9	54.3	0	0	0	0	111.3	Y113 Q114	T103-Y113 CarbonylContact O-C 3.6Å; T103-Y113 WeakPolarHBondContact O-CA 3.35Å; T103-Q114 PolarHBondContact N-O 2.99Å; T103-Q114 PolarHBondContact O-N 3.47Å
104	P	92.5	Very high	89.6	Confident	48 Å²	48	69.2 Å²	69.2	31%	0.312	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	137.2	172.8	27.7	-34.1	0	0	0	110.6	Y113	P104-Y113 HydrophobicContact CB-CD1 4.41Å; P104-Y113 HydrophobicContact CB-CE1 4.2Å
105	S	90.3	Very high	90	Very high	22 Å²	22	62.6 Å²	62.6	15%	0.154	32%	0.323	C	S	.	.			trans	-78.1	129.5	177.3	-71.1	0	0	0	0	110.3	F110 G111 D112 Y113	S105-F110 PolarHBondContact OG-O 3.34Å; S105-G111 WeakPolarHBondContact CB-O 3.19Å; S105-D112 PolarHBondContact N-O 3.27Å; S105-Y113 VanDerWaalsContact OG-C 3.28Å; S105-Y113 PolarHBondContact OG-O 3.09Å
106	Q	78.1	Confident	90.4	Very high	190 Å²	190	63.4 Å²	63.4	89%	0.888	33%	0.327	S	S	*	.	S	Bend	trans	-76.8	-24.9	179	-65	-177.4	-2	0	0	113.2
107	Q	82	Confident	90.7	Very high	89 Å²	89	55.6 Å²	55.6	42%	0.416	29%	0.291	S	S	.	.	S	Bend	trans	-120.4	128.9	-175.5	-63.5	179	5	0	0	109.6	K109 F110	Q107-K109 HydrophobicContact CB-CG 4.05Å; Q107-K109 PolarHBondContact O-N 2.97Å; Q107-F110 HydrophobicContact CB-CD2 3.96Å; Q107-F110 HydrophobicContact CB-CE2 4.35Å; Q107-F110 PolarHBondContact O-N 3.35Å
108	P	80.2	Confident	91.1	Very high	78 Å²	78	48.3 Å²	48.3	51%	0.506	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-55.6	-28.3	-178.1	-27.5	34.3	0	0	0	114.6	F110 G111	P108-F110 PolarHBondContact O-N 2.92Å; P108-F110 VanDerWaalsContact O-N 3.16Å; P108-G111 PolarHBondContact O-N 3.07Å; P108-G111 VanDerWaalsContact O-N 3.09Å
109	K	85.3	Confident	91.2	Very high	140 Å²	140	50 Å²	50	61%	0.609	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.9	-15.1	176.6	64.2	161.9	171.3	174.6	0	114.6	Q107	Q107-K109 HydrophobicContact CB-CG 4.05Å; Q107-K109 PolarHBondContact O-N 2.97Å
110	F	88.4	Confident	91.2	Very high	75 Å²	75	49.1 Å²	49.1	33%	0.329	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-106.6	24.1	176.8	-56.8	-48.6	0	0	0	111.5	S105 Q107 P108 N163	S105-F110 PolarHBondContact OG-O 3.34Å; Q107-F110 HydrophobicContact CB-CD2 3.96Å; Q107-F110 HydrophobicContact CB-CE2 4.35Å; Q107-F110 PolarHBondContact O-N 3.35Å; P108-F110 PolarHBondContact O-N 2.92Å; P108-F110 VanDerWaalsContact O-N 3.16Å; F110-N163 WeakPolarHBondContact O-CB 3.27Å
111	G	91.3	Very high	91.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.01	24%	0.24	C	C	.	.			trans	72.6	-158.8	-175.4	0	0	0	0	0	113	S105 P108	S105-G111 WeakPolarHBondContact CB-O 3.19Å; P108-G111 PolarHBondContact O-N 3.07Å; P108-G111 VanDerWaalsContact O-N 3.09Å
112	D	94.3	Very high	91.2	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.043	22%	0.223	C	C	.	.	S	Bend	trans	-95.6	-38	-177.4	-52.9	-52.5	0	0	0	111.8	S105 V164 H165 L166 W572 R576	S105-D112 PolarHBondContact N-O 3.27Å; D112-V164 PolarHBondContact N-O 3.07Å; D112-H165 WeakPolarHBondContact OD2-CA 3.35Å; D112-L166 HydrophobicContact CB-CD1 4.21Å; D112-L166 HydrophobicContact CB-CG 4.01Å; D112-L166 PolarHBondContact OD2-N 3.39Å; D112-W572 PolarHBondContact OD1-NE1 3.26Å; D112-W572 WeakPolarHBondContact OD2-CZ2 3.33Å; D112-R576 VanDerWaalsContact CG-CD 3.45Å; D112-R576 WeakPolarHBondContact OD1-CD 3.47Å; D112-R576 IonicContact OD1-CZ 2.62Å; D112-R576 VanDerWaalsContact OD1-CZ 3.22Å; D112-R576 IonicContact OD1-NE 3.41Å; D112-R576 PolarHBondContact OD1-NE 2.8Å; D112-R576 IonicContact OD1-NH1 3.1Å; D112-R576 PolarHBondContact OD1-NH1 3.34Å
113	Y	96.8	Very high	91	Very high	6 Å²	6	49 Å²	49	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.8	174.7	-70.7	-101.7	0	0	0	109.9	I76 N77 L80 V102 T103 P104 S105 V164 L166 E583	I76-Y113 HydrophobicContact CG2-CD2 4.49Å; I76-Y113 HydrophobicContact CG2-CE2 3.85Å; N77-Y113 HydrophobicContact CB-CE1 4.37Å; L80-Y113 HydrophobicContact CD1-CD1 3.81Å; L80-Y113 HydrophobicContact CD1-CD2 3.84Å; L80-Y113 HydrophobicContact CD1-CE1 4.39Å; L80-Y113 HydrophobicContact CD1-CE2 4.46Å; L80-Y113 HydrophobicContact CD1-CG 3.51Å; V102-Y113 HydrophobicContact CG1-CD1 4.08Å; T103-Y113 CarbonylContact O-C 3.6Å; T103-Y113 WeakPolarHBondContact O-CA 3.35Å; P104-Y113 HydrophobicContact CB-CD1 4.41Å; P104-Y113 HydrophobicContact CB-CE1 4.2Å; S105-Y113 VanDerWaalsContact OG-C 3.28Å; S105-Y113 PolarHBondContact OG-O 3.09Å; Y113-V164 PolarHBondContact N-O 3.33Å; Y113-V164 PolarHBondContact O-N 3.34Å; Y113-L166 HydrophobicContact CD2-CD1 4.36Å; Y113-L166 HydrophobicContact CD2-CD2 4.41Å; Y113-L166 HydrophobicContact CD2-CG 4.48Å; Y113-L166 HydrophobicContact CE2-CD1 4.01Å; Y113-E583 WeakPolarHBondContact CE1-OE1 3.23Å; Y113-E583 VanDerWaalsContact CZ-OE1 3.31Å; Y113-E583 PolarHBondContact OH-OE1 3.39Å; Y113-E583 PolarHBondContact OH-OE2 3.48Å
114	Q	96.1	Very high	90.9	Very high	33 Å²	33	48.9 Å²	48.9	15%	0.154	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.2	175.1	-169.5	178.6	71.8	0	0	109.8	V102 T103 N116 F161 I162 N163	V102-Q114 WeakPolarHBondContact CA-O 3.35Å; T103-Q114 PolarHBondContact N-O 2.99Å; T103-Q114 PolarHBondContact O-N 3.47Å; Q114-N116 VanDerWaalsContact CG-OD1 3.32Å; Q114-N116 WeakPolarHBondContact CG-OD1 3.24Å; Q114-N116 PolarHBondContact OE1-OD1 3.41Å; Q114-N116 VanDerWaalsContact OE1-OD1 3.14Å; Q114-F161 HydrophobicContact CG-CB 4.21Å; Q114-I162 CarbonylContact C-O 3.48Å; Q114-I162 WeakPolarHBondContact CA-O 3.3Å; Q114-N163 PolarHBondContact NE2-OD1 3.43Å
115	C	96.2	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.4	172	174.8	0	0	0	0	109.8	F84 L101 V102 S117 I162	F84-C115 HydrophobicContact CD1-CB 4.35Å; F84-C115 HydrophobicContact CD2-CB 4.06Å; F84-C115 HydrophobicContact CE1-CB 4.01Å; F84-C115 HydrophobicContact CE2-CB 3.71Å; F84-C115 HydrophobicContact CG-CB 4.38Å; F84-C115 HydrophobicContact CZ-CB 3.69Å; L101-C115 CarbonylContact O-C 3.42Å; L101-C115 WeakPolarHBondContact O-CA 3.47Å; V102-C115 HydrophobicContact CG2-CB 4.3Å; C115-S117 PolarHBondContact SG-OG 2.87Å; C115-S117 VanDerWaalsContact SG-OG 3.37Å; C115-I162 HydrophobicContact CB-CB 4.13Å; C115-I162 PolarHBondContact N-O 3.26Å; C115-I162 PolarHBondContact O-N 3.42Å
116	N	95.3	Very high	90.5	Very high	32 Å²	32	53 Å²	53	17%	0.171	26%	0.259	C	S	.	.			trans	-108.1	10.2	-172.6	-67.5	-15.2	0	0	0	112.6	L101 Q114 A118 M119 F161	L101-N116 HydrophobicContact CB-CB 4.07Å; L101-N116 PolarHBondContact O-N 3.48Å; Q114-N116 VanDerWaalsContact CG-OD1 3.32Å; Q114-N116 WeakPolarHBondContact CG-OD1 3.24Å; Q114-N116 PolarHBondContact OE1-OD1 3.41Å; Q114-N116 VanDerWaalsContact OE1-OD1 3.14Å; N116-A118 VanDerWaalsContact C-N 3.31Å; N116-A118 PolarHBondContact O-N 2.89Å; N116-M119 HydrophobicContact CB-CE 3.63Å; N116-M119 WeakPolarHBondContact O-CE 3.41Å; N116-F161 WeakPolarHBondContact OD1-CD1 3.35Å
117	S	95.4	Very high	90.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-29	-172.9	-57	0	0	0	0	114.2	P99 L101 C115 M119 G120 I121	P99-S117 WeakPolarHBondContact O-CB 3.24Å; P99-S117 PolarHBondContact O-OG 2.83Å; L101-S117 PolarHBondContact N-OG 3.24Å; L101-S117 VanDerWaalsContact N-OG 3.12Å; C115-S117 PolarHBondContact SG-OG 2.87Å; C115-S117 VanDerWaalsContact SG-OG 3.37Å; S117-M119 VanDerWaalsContact C-N 3.28Å; S117-M119 PolarHBondContact O-N 2.77Å; S117-G120 PolarHBondContact O-N 2.86Å; S117-G120 VanDerWaalsContact O-N 3.14Å; S117-I121 WeakPolarHBondContact O-CG1 3.31Å; S117-I121 PolarHBondContact O-N 3.37Å
118	A	94.7	Very high	90.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-34.3	-173.9	0	0	0	0	0	113.6	N116 S122 P134 I137 A138 G160	N116-A118 VanDerWaalsContact C-N 3.31Å; N116-A118 PolarHBondContact O-N 2.89Å; A118-S122 WeakPolarHBondContact O-CB 3.39Å; A118-S122 PolarHBondContact O-N 3.49Å; A118-P134 WeakPolarHBondContact CB-O 3.29Å; A118-I137 HydrophobicContact CB-CB 4.25Å; A118-I137 HydrophobicContact CB-CG2 3.92Å; A118-A138 HydrophobicContact CB-CB 4.01Å; A118-G160 WeakPolarHBondContact CB-O 3.46Å
119	M	92.6	Very high	90.7	Very high	64 Å²	64	56.2 Å²	56.2	32%	0.315	27%	0.274	S	S	.	.	H	α-helix	trans	-68.2	-43.6	176.8	-63.6	166.4	-70.8	0	0	111.5	N116 S117 S122 Q123 P134 F161	N116-M119 HydrophobicContact CB-CE 3.63Å; N116-M119 WeakPolarHBondContact O-CE 3.41Å; S117-M119 VanDerWaalsContact C-N 3.28Å; S117-M119 PolarHBondContact O-N 2.77Å; M119-S122 WeakPolarHBondContact O-CB 3.38Å; M119-S122 PolarHBondContact O-N 3.14Å; M119-Q123 PolarHBondContact O-N 2.8Å; M119-P134 HydrophobicContact CG-CB 4.32Å; M119-F161 HydrophobicContact CE-CD1 3.84Å; M119-F161 HydrophobicContact CE-CE1 3.5Å; M119-F161 HydrophobicContact CE-CZ 4.46Å; M119-F161 HydrophobicContact SD-CD1 4.47Å; M119-F161 HydrophobicContact SD-CE1 3.89Å; M119-F161 HydrophobicContact SD-CZ 4.32Å
120	G	92.7	Very high	90.6	Very high	18 Å²	18	54.7 Å²	54.7	19%	0.186	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-40.1	177.1	0	0	0	0	0	112	S117 Q123 M124	S117-G120 PolarHBondContact O-N 2.86Å; S117-G120 VanDerWaalsContact O-N 3.14Å; G120-Q123 PolarHBondContact O-N 3.12Å; G120-M124 WeakPolarHBondContact O-CG 3.11Å; G120-M124 PolarHBondContact O-N 2.78Å
121	I	93.1	Very high	90.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-44.2	174	-65.7	165.8	0	0	0	110.8	I88 L95 P98 S117 Q123 M124 L125 I137 I141	I88-I121 HydrophobicContact CD1-CD1 4.16Å; I88-I121 HydrophobicContact CG1-CD1 4.14Å; I88-I121 HydrophobicContact CG2-CD1 3.71Å; L95-I121 HydrophobicContact CD2-CB 4.32Å; L95-I121 HydrophobicContact CD2-CG1 4.01Å; L95-I121 HydrophobicContact CD2-CG2 3.69Å; P98-I121 HydrophobicContact CB-CD1 4.32Å; P98-I121 HydrophobicContact CB-CG1 3.95Å; S117-I121 WeakPolarHBondContact O-CG1 3.31Å; S117-I121 PolarHBondContact O-N 3.37Å; I121-Q123 VanDerWaalsContact C-N 3.26Å; I121-Q123 PolarHBondContact O-N 2.95Å; I121-M124 PolarHBondContact O-N 2.94Å; I121-M124 VanDerWaalsContact O-N 3.14Å; I121-L125 HydrophobicContact CG2-CD1 3.97Å; I121-L125 HydrophobicContact CG2-CG 4.25Å; I121-L125 WeakPolarHBondContact O-CG 3.17Å; I121-L125 PolarHBondContact O-N 3.38Å; I121-I137 HydrophobicContact CB-CG2 4.08Å; I121-I137 HydrophobicContact CD1-CG2 4.3Å; I121-I137 HydrophobicContact CG2-CD1 4.1Å; I121-I137 HydrophobicContact CG2-CG2 3.84Å; I121-I141 HydrophobicContact CD1-CD1 3.89Å
122	S	92.9	Very high	90.3	Very high	20 Å²	20	61.4 Å²	61.4	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-56.8	-42.2	175.3	-175.9	0	0	0	0	111.7	A118 M119 L125 K126 V132 I137	A118-S122 WeakPolarHBondContact O-CB 3.39Å; A118-S122 PolarHBondContact O-N 3.49Å; M119-S122 WeakPolarHBondContact O-CB 3.38Å; M119-S122 PolarHBondContact O-N 3.14Å; S122-L125 PolarHBondContact O-N 2.83Å; S122-K126 WeakPolarHBondContact O-CB 3.32Å; S122-K126 PolarHBondContact O-N 3.09Å; S122-V132 PolarHBondContact OG-O 2.83Å; S122-I137 VanDerWaalsContact CA-CD1 3.43Å
123	Q	90.4	Very high	90.3	Very high	143 Å²	143	64.8 Å²	64.8	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-66.3	-38.6	177.3	-171.8	169.6	0.4	0	0	112.5	M119 G120 I121 K126 T127	M119-Q123 PolarHBondContact O-N 2.8Å; G120-Q123 PolarHBondContact O-N 3.12Å; I121-Q123 VanDerWaalsContact C-N 3.26Å; I121-Q123 PolarHBondContact O-N 2.95Å; Q123-K126 WeakPolarHBondContact O-CB 3.36Å; Q123-K126 PolarHBondContact O-N 2.96Å; Q123-T127 PolarHBondContact O-N 3.16Å
124	M	90	Very high	90.2	Very high	60 Å²	60	65.9 Å²	65.9	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-69.7	-36.9	174.8	-68.9	177	76	0	0	113	L95 E96 P99 G120 I121 K126 T127	L95-M124 HydrophobicContact CD1-CB 4.15Å; L95-M124 HydrophobicContact CD1-CE 3.89Å; L95-M124 HydrophobicContact CD1-SD 4.45Å; L95-M124 HydrophobicContact CG-CE 4.34Å; E96-M124 WeakPolarHBondContact O-CE 3.21Å; P99-M124 VanDerWaalsContact CD-SD 3.58Å; G120-M124 WeakPolarHBondContact O-CG 3.11Å; G120-M124 PolarHBondContact O-N 2.78Å; I121-M124 PolarHBondContact O-N 2.94Å; I121-M124 VanDerWaalsContact O-N 3.14Å; M124-K126 VanDerWaalsContact C-N 3.3Å; M124-T127 PolarHBondContact O-N 2.91Å; M124-T127 PolarHBondContact O-OG1 3.17Å
125	L	87.9	Confident	90.1	Very high	10 Å²	10	69.2 Å²	69.2	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-69.2	-34.2	175.8	-69.3	176.4	0	0	0	111.1	Y92 L95 I121 S122 T127 K128 E129 Q130 V132 I137	Y92-L125 HydrophobicContact CD1-CD1 4.45Å; Y92-L125 HydrophobicContact CE1-CD1 4.19Å; L95-L125 HydrophobicContact CD1-CD2 4.48Å; I121-L125 HydrophobicContact CG2-CD1 3.97Å; I121-L125 HydrophobicContact CG2-CG 4.25Å; I121-L125 WeakPolarHBondContact O-CG 3.17Å; I121-L125 PolarHBondContact O-N 3.38Å; S122-L125 PolarHBondContact O-N 2.83Å; L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.21Å; L125-K128 CarbonylContact O-C 3.52Å; L125-K128 WeakPolarHBondContact O-CA 3.36Å; L125-K128 PolarHBondContact O-N 3.39Å; L125-E129 PolarHBondContact O-N 3.42Å; L125-Q130 CarbonylContact C-O 3.42Å; L125-Q130 HydrophobicContact CB-CB 4.42Å; L125-Q130 WeakPolarHBondContact CB-O 3.37Å; L125-Q130 PolarHBondContact O-N 3.35Å; L125-Q130 VanDerWaalsContact O-O 3.08Å; L125-V132 HydrophobicContact CD1-CB 4.26Å; L125-V132 HydrophobicContact CD1-CG2 3.97Å; L125-I137 HydrophobicContact CD1-CD1 4.1Å
126	K	87	Confident	90.1	Very high	145 Å²	145	74.2 Å²	74.2	63%	0.63	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-34.4	175.3	-169.2	-176.4	177.5	-172	0	112.6	S122 Q123 M124 K128 E129 Q130	S122-K126 WeakPolarHBondContact O-CB 3.32Å; S122-K126 PolarHBondContact O-N 3.09Å; Q123-K126 WeakPolarHBondContact O-CB 3.36Å; Q123-K126 PolarHBondContact O-N 2.96Å; M124-K126 VanDerWaalsContact C-N 3.3Å; K126-K128 VanDerWaalsContact C-N 3.26Å; K126-K128 PolarHBondContact O-N 2.85Å; K126-E129 PolarHBondContact O-N 2.87Å; K126-Q130 PolarHBondContact N-O 2.92Å
127	T	81.6	Confident	90	Very high	116 Å²	116	72.7 Å²	72.7	71%	0.712	35%	0.352	S	S	*	.	H	α-helix	trans	-72.8	-21	175.9	59.1	0	0	0	0	112.8	Q123 M124 L125 E129	Q123-T127 PolarHBondContact O-N 3.16Å; M124-T127 PolarHBondContact O-N 2.91Å; M124-T127 PolarHBondContact O-OG1 3.17Å; L125-T127 VanDerWaalsContact C-N 3.27Å; L125-T127 PolarHBondContact O-N 3.21Å; T127-E129 PolarHBondContact O-N 2.95Å
128	K	80.9	Confident	90.1	Very high	121 Å²	121	72.7 Å²	72.7	53%	0.526	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	20.9	169.6	-60.1	-173.6	176.9	-172.1	0	112.7	D94 L125 K126 Q130	D94-K128 PolarHBondContact O-NZ 3Å; L125-K128 CarbonylContact O-C 3.52Å; L125-K128 WeakPolarHBondContact O-CA 3.36Å; L125-K128 PolarHBondContact O-N 3.39Å; K126-K128 VanDerWaalsContact C-N 3.26Å; K126-K128 PolarHBondContact O-N 2.85Å; K128-Q130 PolarHBondContact O-N 3.37Å; K128-Q130 VanDerWaalsContact O-N 3.13Å
129	E	82.5	Confident	90.1	Very high	189 Å²	189	76.3 Å²	76.3	88%	0.883	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	14.4	-177.6	-56.9	-170.4	156.6	0	0	115.7	L125 K126 T127	L125-E129 PolarHBondContact O-N 3.42Å; K126-E129 PolarHBondContact O-N 2.87Å; T127-E129 PolarHBondContact O-N 2.95Å
130	Q	81.8	Confident	90.3	Very high	108 Å²	108	75.5 Å²	75.5	51%	0.505	37%	0.365	S	S	.	.			trans	-104.5	106.3	177.2	-162	-174.8	2.7	0	0	110.6	L125 K126 K128 V132	L125-Q130 CarbonylContact C-O 3.42Å; L125-Q130 HydrophobicContact CB-CB 4.42Å; L125-Q130 WeakPolarHBondContact CB-O 3.37Å; L125-Q130 PolarHBondContact O-N 3.35Å; L125-Q130 VanDerWaalsContact O-O 3.08Å; K126-Q130 PolarHBondContact N-O 2.92Å; K128-Q130 PolarHBondContact O-N 3.37Å; K128-Q130 VanDerWaalsContact O-N 3.13Å; Q130-V132 HydrophobicContact CG-CG2 3.8Å; Q130-V132 PolarHBondContact O-N 3.02Å
131	K	85	Confident	90.4	Very high	195 Å²	195	74.7 Å²	74.7	85%	0.848	36%	0.357	S	S	*	.			trans	-88.4	97.9	178.2	-169.3	-179.4	-179.9	-175.1	0	110.4
132	V	89.4	Confident	90.5	Very high	22 Å²	22	76.1 Å²	76.1	13%	0.133	37%	0.366	C	S	.	.			trans	-109.8	135.8	176.1	-168.6	0	0	0	0	110.2	S122 L125 Q130 E136 I137	S122-V132 PolarHBondContact OG-O 2.83Å; L125-V132 HydrophobicContact CD1-CB 4.26Å; L125-V132 HydrophobicContact CD1-CG2 3.97Å; Q130-V132 HydrophobicContact CG-CG2 3.8Å; Q130-V132 PolarHBondContact O-N 3.02Å; V132-E136 HydrophobicContact CG1-CB 4.33Å; V132-I137 HydrophobicContact CB-CD1 4.04Å; V132-I137 HydrophobicContact CB-CG1 4.14Å; V132-I137 HydrophobicContact CG1-CD1 4.13Å; V132-I137 HydrophobicContact CG1-CG1 3.67Å
133	N	93.6	Very high	90.7	Very high	78 Å²	78	83 Å²	83	42%	0.417	39%	0.393	S	S	.	.			trans	-65.4	129.8	177.9	-175.5	-15.8	0	0	0	110.1	R135 E136 I137	N133-R135 PolarHBondContact O-N 3.4Å; N133-R135 VanDerWaalsContact O-N 3.09Å; N133-R135 PolarHBondContact OD1-N 3.36Å; N133-R135 VanDerWaalsContact OD1-N 3.1Å; N133-E136 HydrophobicContact CB-CB 4.31Å; N133-E136 HydrophobicContact CB-CG 4.01Å; N133-E136 WeakPolarHBondContact O-CB 3.44Å; N133-E136 PolarHBondContact O-N 2.96Å; N133-I137 PolarHBondContact O-N 3.19Å
134	P	94.3	Very high	90.9	Very high	29 Å²	29	80.2 Å²	80.2	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-56.4	-27.6	178.3	-16.5	23.1	0	0	0	113.8	A118 M119 I137 A138 P159	A118-P134 WeakPolarHBondContact CB-O 3.29Å; M119-P134 HydrophobicContact CG-CB 4.32Å; P134-I137 PolarHBondContact O-N 3.06Å; P134-A138 WeakPolarHBondContact O-CB 3.46Å; P134-A138 PolarHBondContact O-N 3.4Å; P134-P159 CarbonylContact C-O 3.6Å; P134-P159 WeakPolarHBondContact CB-O 3.33Å
135	R	95.5	Very high	91.1	Very high	103 Å²	103	79 Å²	79	39%	0.389	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-42.4	175.3	-168	176.1	-178.1	107	1.4	112.5	N133 I137 A138 E139 I156 G158 P159	N133-R135 PolarHBondContact O-N 3.4Å; N133-R135 VanDerWaalsContact O-N 3.09Å; N133-R135 PolarHBondContact OD1-N 3.36Å; N133-R135 VanDerWaalsContact OD1-N 3.1Å; R135-I137 VanDerWaalsContact C-N 3.28Å; R135-I137 PolarHBondContact O-N 3.37Å; R135-A138 WeakPolarHBondContact O-CB 3.49Å; R135-A138 PolarHBondContact O-N 2.95Å; R135-E139 IonicContact NE-OE1 3.13Å; R135-E139 WeakPolarHBondContact O-CG 3.47Å; R135-E139 PolarHBondContact O-N 3.33Å; R135-I156 HydrophobicContact CG-CG2 4.08Å; R135-G158 PolarHBondContact NH1-O 3.47Å; R135-P159 PolarHBondContact N-O 2.73Å
136	E	94.6	Very high	91.4	Very high	106 Å²	106	81 Å²	81	50%	0.495	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-36.9	174.4	-68.5	166.9	-160	0	0	110.8	V132 N133 E139 N140	V132-E136 HydrophobicContact CG1-CB 4.33Å; N133-E136 HydrophobicContact CB-CB 4.31Å; N133-E136 HydrophobicContact CB-CG 4.01Å; N133-E136 WeakPolarHBondContact O-CB 3.44Å; N133-E136 PolarHBondContact O-N 2.96Å; E136-E139 PolarHBondContact O-N 3.24Å; E136-N140 WeakPolarHBondContact O-CB 3.4Å; E136-N140 PolarHBondContact O-N 2.83Å
137	I	94.6	Very high	91.6	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-47	174.2	-66.5	165.4	0	0	0	110.6	Y92 A118 I121 S122 L125 V132 N133 P134 R135 E139 N140 I141	Y92-I137 HydrophobicContact CE2-CG2 3.93Å; Y92-I137 WeakPolarHBondContact OH-CA 3.35Å; A118-I137 HydrophobicContact CB-CB 4.25Å; A118-I137 HydrophobicContact CB-CG2 3.92Å; I121-I137 HydrophobicContact CB-CG2 4.08Å; I121-I137 HydrophobicContact CD1-CG2 4.3Å; I121-I137 HydrophobicContact CG2-CD1 4.1Å; I121-I137 HydrophobicContact CG2-CG2 3.84Å; S122-I137 VanDerWaalsContact CA-CD1 3.43Å; L125-I137 HydrophobicContact CD1-CD1 4.1Å; V132-I137 HydrophobicContact CB-CD1 4.04Å; V132-I137 HydrophobicContact CB-CG1 4.14Å; V132-I137 HydrophobicContact CG1-CD1 4.13Å; V132-I137 HydrophobicContact CG1-CG1 3.67Å; N133-I137 PolarHBondContact O-N 3.19Å; P134-I137 PolarHBondContact O-N 3.06Å; R135-I137 VanDerWaalsContact C-N 3.28Å; R135-I137 PolarHBondContact O-N 3.37Å; I137-E139 VanDerWaalsContact C-N 3.35Å; I137-E139 PolarHBondContact O-N 2.87Å; I137-N140 PolarHBondContact O-N 3.46Å; I137-I141 HydrophobicContact CG2-CD1 3.75Å; I137-I141 HydrophobicContact CG2-CG1 4.42Å; I137-I141 VanDerWaalsContact O-CG1 3.26Å; I137-I141 WeakPolarHBondContact O-CG1 3.49Å; I137-I141 PolarHBondContact O-N 2.85Å
138	A	96.2	Very high	92.1	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.4	-44.7	176.8	0	0	0	0	0	111.8	A118 P134 R135 N140 I141 T142 I156 I162	A118-A138 HydrophobicContact CB-CB 4.01Å; P134-A138 WeakPolarHBondContact O-CB 3.46Å; P134-A138 PolarHBondContact O-N 3.4Å; R135-A138 WeakPolarHBondContact O-CB 3.49Å; R135-A138 PolarHBondContact O-N 2.95Å; A138-N140 VanDerWaalsContact C-N 3.31Å; A138-N140 PolarHBondContact O-N 3.24Å; A138-I141 PolarHBondContact O-N 3.39Å; A138-T142 WeakPolarHBondContact O-CG2 3.5Å; A138-T142 PolarHBondContact O-N 2.91Å; A138-T142 PolarHBondContact O-OG1 2.84Å; A138-I156 HydrophobicContact CB-CD1 4.06Å; A138-I156 HydrophobicContact CB-CG1 4.26Å; A138-I156 HydrophobicContact CB-CG2 4.01Å; A138-I162 HydrophobicContact CB-CD1 4.02Å; A138-I162 HydrophobicContact CB-CG1 3.76Å
139	E	96.1	Very high	92.6	Very high	76 Å²	76	77 Å²	77	36%	0.355	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-38.1	176.2	-73.5	174.4	-164.9	0	0	112.5	R135 E136 I137 T142 K143 I156	R135-E139 IonicContact NE-OE1 3.13Å; R135-E139 WeakPolarHBondContact O-CG 3.47Å; R135-E139 PolarHBondContact O-N 3.33Å; E136-E139 PolarHBondContact O-N 3.24Å; I137-E139 VanDerWaalsContact C-N 3.35Å; I137-E139 PolarHBondContact O-N 2.87Å; E139-T142 PolarHBondContact O-OG1 3.46Å; E139-T142 VanDerWaalsContact O-OG1 3.04Å; E139-K143 VanDerWaalsContact O-CG 3.3Å; E139-K143 WeakPolarHBondContact O-CG 3.32Å; E139-K143 PolarHBondContact O-N 3.22Å; E139-K143 VanDerWaalsContact O-N 3.16Å; E139-I156 VanDerWaalsContact CA-CD1 3.48Å; E139-I156 HydrophobicContact CB-CD1 4.03Å; E139-I156 HydrophobicContact CG-CD1 3.39Å
140	N	95.3	Very high	93.2	Very high	47 Å²	47	68 Å²	68	25%	0.251	33%	0.33	S	S	.	.	H	α-helix	trans	-69.6	-39.3	177.2	-161.6	26.1	0	0	0	111.4	Y92 E136 I137 A138 H144	Y92-N140 PolarHBondContact OH-ND2 2.8Å; E136-N140 WeakPolarHBondContact O-CB 3.4Å; E136-N140 PolarHBondContact O-N 2.83Å; I137-N140 PolarHBondContact O-N 3.46Å; A138-N140 VanDerWaalsContact C-N 3.31Å; A138-N140 PolarHBondContact O-N 3.24Å; N140-H144 PolarHBondContact O-N 2.86Å; N140-H144 PolarHBondContact O-ND1 2.67Å; N140-H144 PolarHBondContact OD1-CE1 2.98Å; N140-H144 PolarHBondContact OD1-ND1 3.05Å
141	I	95.8	Very high	93.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-46.7	175.2	-67.2	163.7	0	0	0	110.4	F84 A87 I88 Y92 I121 I137 A138 K143 H144 L145 I162	F84-I141 HydrophobicContact CD1-CG2 3.95Å; F84-I141 HydrophobicContact CE1-CG2 4.27Å; A87-I141 HydrophobicContact CB-CG2 4.16Å; I88-I141 HydrophobicContact CD1-CD1 4.4Å; I88-I141 HydrophobicContact CG1-CD1 3.77Å; I88-I141 HydrophobicContact CG1-CG1 3.87Å; I88-I141 HydrophobicContact CG1-CG2 4.03Å; Y92-I141 HydrophobicContact CE2-CG1 4.22Å; I121-I141 HydrophobicContact CD1-CD1 3.89Å; I137-I141 HydrophobicContact CG2-CD1 3.75Å; I137-I141 HydrophobicContact CG2-CG1 4.42Å; I137-I141 VanDerWaalsContact O-CG1 3.26Å; I137-I141 WeakPolarHBondContact O-CG1 3.49Å; I137-I141 PolarHBondContact O-N 2.85Å; A138-I141 PolarHBondContact O-N 3.39Å; I141-K143 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 2.82Å; I141-H144 CarbonylContact O-C 3.46Å; I141-H144 PolarHBondContact O-N 3.26Å; I141-H144 VanDerWaalsContact O-N 3.12Å; I141-L145 PolarHBondContact O-N 3.23Å; I141-L145 VanDerWaalsContact O-N 3.15Å; I141-I162 HydrophobicContact CB-CD1 4.23Å; I141-I162 HydrophobicContact CD1-CD1 4.42Å; I141-I162 HydrophobicContact CG2-CD1 4.05Å
142	T	95.8	Very high	94.5	Very high	31 Å²	31	60.6 Å²	60.6	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-34.8	-177.8	55.6	0	0	0	0	112.7	A138 E139 H144 L145 V154 I156 I162	A138-T142 WeakPolarHBondContact O-CG2 3.5Å; A138-T142 PolarHBondContact O-N 2.91Å; A138-T142 PolarHBondContact O-OG1 2.84Å; E139-T142 PolarHBondContact O-OG1 3.46Å; E139-T142 VanDerWaalsContact O-OG1 3.04Å; T142-H144 VanDerWaalsContact C-N 3.27Å; T142-H144 PolarHBondContact O-N 3.02Å; T142-L145 HydrophobicContact CG2-CD1 4.33Å; T142-L145 WeakPolarHBondContact O-CB 3.31Å; T142-L145 PolarHBondContact O-N 3.46Å; T142-V154 HydrophobicContact CG2-CB 4.37Å; T142-V154 HydrophobicContact CG2-CG2 3.78Å; T142-I156 HydrophobicContact CG2-CD1 4.09Å; T142-I156 HydrophobicContact CG2-CG1 4.15Å; T142-I162 HydrophobicContact CG2-CD1 4.36Å; T142-I162 HydrophobicContact CG2-CG2 3.92Å
143	K	95.6	Very high	94.7	Very high	164 Å²	164	63.6 Å²	63.6	71%	0.713	31%	0.312	S	S	*	.	H	α-helix	trans	-66	-27.1	173.7	-74.7	173.4	-175.4	172.4	0	113.8	E139 I141	E139-K143 VanDerWaalsContact O-CG 3.3Å; E139-K143 WeakPolarHBondContact O-CG 3.32Å; E139-K143 PolarHBondContact O-N 3.22Å; E139-K143 VanDerWaalsContact O-N 3.16Å; I141-K143 VanDerWaalsContact C-N 3.33Å; I141-K143 PolarHBondContact O-N 2.82Å
144	H	95.6	Very high	94.9	Very high	84 Å²	84	62 Å²	62	39%	0.389	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	13.5	179.5	-66.3	86.7	0	0	0	112.5	A87 A90 A91 N140 I141 T142	A87-H144 WeakPolarHBondContact CA-O 3.35Å; A87-H144 WeakPolarHBondContact CB-O 3.48Å; A90-H144 HydrophobicContact CB-CB 4.38Å; A91-H144 HydrophobicContact CB-CB 4.21Å; N140-H144 PolarHBondContact O-N 2.86Å; N140-H144 PolarHBondContact O-ND1 2.67Å; N140-H144 PolarHBondContact OD1-CE1 2.98Å; N140-H144 PolarHBondContact OD1-ND1 3.05Å; I141-H144 CarbonylContact O-C 3.46Å; I141-H144 PolarHBondContact O-N 3.26Å; I141-H144 VanDerWaalsContact O-N 3.12Å; T142-H144 VanDerWaalsContact C-N 3.27Å; T142-H144 PolarHBondContact O-N 3.02Å
145	L	94.8	Very high	95	Very high	34 Å²	34	64.6 Å²	64.6	18%	0.178	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-64.5	126.8	172.4	-82.9	167.4	0	0	0	109.6	V83 F84 A87 I141 T142 V154	V83-L145 HydrophobicContact CG1-CD2 3.83Å; F84-L145 HydrophobicContact CD1-CD2 4.03Å; F84-L145 HydrophobicContact CE1-CD2 3.94Å; A87-L145 HydrophobicContact CB-CD2 3.8Å; A87-L145 HydrophobicContact CB-CG 4.21Å; I141-L145 PolarHBondContact O-N 3.23Å; I141-L145 VanDerWaalsContact O-N 3.15Å; T142-L145 HydrophobicContact CG2-CD1 4.33Å; T142-L145 WeakPolarHBondContact O-CB 3.31Å; T142-L145 PolarHBondContact O-N 3.46Å; L145-V154 HydrophobicContact CD1-CB 4.43Å; L145-V154 HydrophobicContact CD1-CG1 3.84Å; L145-V154 HydrophobicContact CD1-CG2 3.92Å
146	P	93.3	Very high	95	Very high	52 Å²	52	61.6 Å²	61.6	34%	0.338	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-72.8	157.2	174.7	31.6	-35	0	0	0	110.9	V83 H86 N148	V83-P146 HydrophobicContact CG1-CG 4.22Å; H86-P146 HydrophobicContact CB-CG 4.26Å; P146-N148 PolarHBondContact O-N 2.92Å; P146-N148 PolarHBondContact O-ND2 3.16Å
147	D	91.8	Very high	94.9	Very high	170 Å²	170	57.8 Å²	57.8	91%	0.909	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-55	138.5	167.7	-68.6	-25.4	0	0	0	110.3
148	N	92.5	Very high	94.7	Very high	46 Å²	46	60.1 Å²	60.1	25%	0.246	32%	0.316	C	S	.	.			trans	-153	165.7	-175.1	65.2	84.1	0	0	0	111.9	V83 P146 C150 I151	V83-N148 HydrophobicContact CG2-CB 4.21Å; P146-N148 PolarHBondContact O-N 2.92Å; P146-N148 PolarHBondContact O-ND2 3.16Å; N148-C150 PolarHBondContact OD1-N 3.42Å; N148-I151 VanDerWaalsContact OD1-CB 3.24Å; N148-I151 WeakPolarHBondContact OD1-CB 3.42Å; N148-I151 WeakPolarHBondContact OD1-CG1 3.17Å; N148-I151 PolarHBondContact OD1-N 3.42Å
149	E	91.3	Very high	94.4	Very high	82 Å²	82	63.3 Å²	63.3	38%	0.383	34%	0.337	S	S	.	.	S	Bend	trans	-84	-19.5	-175.4	66.8	-163.3	163.5	0	0	113.9	R79 R167 F170	R79-E149 IonicContact CZ-OE1 3.92Å; R79-E149 IonicContact NH1-OE1 2.73Å; R79-E149 PolarHBondContact NH1-OE1 3.27Å; E149-R167 WeakPolarHBondContact O-CD 3.47Å; E149-F170 HydrophobicContact CG-CD2 3.99Å; E149-F170 HydrophobicContact CG-CE2 3.98Å
150	C	94.4	Very high	94.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.007	32%	0.32	C	S	.	.	S	Bend	trans	-114.3	-20.7	-161.7	60.5	0	0	0	0	116.1	N148 L166 R167 F170	N148-C150 PolarHBondContact OD1-N 3.42Å; C150-L166 CarbonylContact O-C 3.42Å; C150-L166 VanDerWaalsContact O-CA 3.29Å; C150-L166 WeakPolarHBondContact O-CA 3.29Å; C150-R167 PolarHBondContact O-N 2.68Å; C150-F170 HydrophobicContact CB-CD1 3.69Å; C150-F170 HydrophobicContact CB-CD2 3.95Å; C150-F170 HydrophobicContact CB-CE1 3.72Å; C150-F170 HydrophobicContact CB-CE2 3.97Å; C150-F170 HydrophobicContact CB-CG 3.81Å; C150-F170 HydrophobicContact CB-CZ 3.86Å
151	I	97	Very high	94.2	Very high	20 Å²	20	60.3 Å²	60.3	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.2	-175.6	-58.8	176.6	0	0	0	110.7	L80 V83 N148 V154 V164 R167	L80-I151 HydrophobicContact CD2-CD1 3.88Å; L80-I151 HydrophobicContact CD2-CG1 3.86Å; V83-I151 HydrophobicContact CG1-CD1 4.06Å; N148-I151 VanDerWaalsContact OD1-CB 3.24Å; N148-I151 WeakPolarHBondContact OD1-CB 3.42Å; N148-I151 WeakPolarHBondContact OD1-CG1 3.17Å; N148-I151 PolarHBondContact OD1-N 3.42Å; I151-V154 HydrophobicContact CG2-CG1 3.69Å; I151-V164 HydrophobicContact CD1-CG1 4.23Å; I151-V164 HydrophobicContact CG1-CG1 3.92Å; I151-V164 HydrophobicContact CG2-CG1 4.11Å; I151-R167 VanDerWaalsContact O-CD 3.31Å; I151-R167 WeakPolarHBondContact O-CD 3.45Å; I151-R167 WeakPolarHBondContact O-CG 3.41Å
152	E	96.4	Very high	94.3	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	-50.8	174.5	-176.4	69	-156.1	0	0	110.3	H165 R167	E152-H165 PolarHBondContact N-O 3.34Å; E152-R167 HydrophobicContact CB-CG 3.81Å; E152-R167 VanDerWaalsContact N-CG 3.33Å; E152-R167 WeakPolarHBondContact OE2-CG 3.39Å; E152-R167 IonicContact OE2-NE 2.78Å
153	Q	95.3	Very high	94.3	Very high	86 Å²	86	59 Å²	59	40%	0.402	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.1	-179.9	62	169.4	25.4	0	0	111.2	E155 H165	Q153-E155 PolarHBondContact NE2-OE1 2.98Å; Q153-H165 HydrophobicContact CG-CB 3.55Å; Q153-H165 PolarHBondContact N-O 2.8Å; Q153-H165 PolarHBondContact NE2-CD2 3.32Å; Q153-H165 PolarHBondContact O-N 3.44Å
154	V	96.8	Very high	94.4	Very high	44 Å²	44	51.1 Å²	51.1	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.2	172.6	-64.2	0	0	0	0	109.9	T142 L145 I151 I162 N163 V164	T142-V154 HydrophobicContact CG2-CB 4.37Å; T142-V154 HydrophobicContact CG2-CG2 3.78Å; L145-V154 HydrophobicContact CD1-CB 4.43Å; L145-V154 HydrophobicContact CD1-CG1 3.84Å; L145-V154 HydrophobicContact CD1-CG2 3.92Å; I151-V154 HydrophobicContact CG2-CG1 3.69Å; V154-I162 HydrophobicContact CB-CG2 4.28Å; V154-N163 CarbonylContact C-O 3.58Å; V154-N163 VanDerWaalsContact CA-O 3.29Å; V154-N163 WeakPolarHBondContact CA-O 3.19Å; V154-V164 HydrophobicContact CG1-CG2 4.37Å
155	E	96.1	Very high	94.5	Very high	84 Å²	84	49.1 Å²	49.1	39%	0.393	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.2	-178.6	-63.4	-178.8	-175.6	0	0	110.3	Q153 N163 H165	Q153-E155 PolarHBondContact NE2-OE1 2.98Å; E155-N163 HydrophobicContact CB-CB 4.35Å; E155-N163 PolarHBondContact N-O 3.35Å; E155-N163 PolarHBondContact O-N 3.28Å; E155-H165 IonicContact OE1-NE2 3.21Å
156	I	95.9	Very high	94.6	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.205	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.1	178.3	-59.6	171	0	0	0	109.3	R135 A138 E139 T142 F161	R135-I156 HydrophobicContact CG-CG2 4.08Å; A138-I156 HydrophobicContact CB-CD1 4.06Å; A138-I156 HydrophobicContact CB-CG1 4.26Å; A138-I156 HydrophobicContact CB-CG2 4.01Å; E139-I156 VanDerWaalsContact CA-CD1 3.48Å; E139-I156 HydrophobicContact CB-CD1 4.03Å; E139-I156 HydrophobicContact CG-CD1 3.39Å; T142-I156 HydrophobicContact CG2-CD1 4.09Å; T142-I156 HydrophobicContact CG2-CG1 4.15Å; I156-F161 CarbonylContact C-O 3.05Å; I156-F161 WeakPolarHBondContact CA-O 3.42Å
157	A	92.2	Very high	94.8	Very high	25 Å²	25	49.5 Å²	49.5	21%	0.207	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	149.7	-178.9	0	0	0	0	0	112.1	G160 F161 N163	A157-G160 PolarHBondContact O-N 3.47Å; A157-F161 HydrophobicContact CB-CB 4.48Å; A157-F161 PolarHBondContact N-O 3.01Å; A157-F161 WeakPolarHBondContact O-CB 3.38Å; A157-F161 PolarHBondContact O-N 3.23Å; A157-N163 WeakPolarHBondContact CB-ND2 2.96Å
158	G	91.1	Very high	95	Very high	49 Å²	49	45.7 Å²	45.7	51%	0.505	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	-137.1	174.8	0	0	0	0	0	113.7	R135 G160	R135-G158 PolarHBondContact NH1-O 3.47Å; G158-G160 VanDerWaalsContact C-N 3.29Å; G158-G160 PolarHBondContact O-N 3.33Å
159	P	90.4	Very high	95.2	Very high	67 Å²	67	46.6 Å²	46.6	44%	0.435	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.7	-174.6	31	-35.8	0	0	0	114.3	P134 R135 F161	P134-P159 CarbonylContact C-O 3.6Å; P134-P159 WeakPolarHBondContact CB-O 3.33Å; R135-P159 PolarHBondContact N-O 2.73Å; P159-F161 HydrophobicContact CG-CD2 4.33Å; P159-F161 HydrophobicContact CG-CE2 3.95Å; P159-F161 HydrophobicContact CG-CZ 4.37Å
160	G	92.3	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	154.3	24.4	-174.4	0	0	0	0	0	113.8	A118 A157 G158	A118-G160 WeakPolarHBondContact CB-O 3.46Å; A157-G160 PolarHBondContact O-N 3.47Å; G158-G160 VanDerWaalsContact C-N 3.29Å; G158-G160 PolarHBondContact O-N 3.33Å
161	F	94.9	Very high	95.5	Very high	60 Å²	60	42.9 Å²	42.9	26%	0.263	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.5	173.1	-60.4	-60.4	0	0	0	109.2	Q114 N116 M119 I156 A157 P159	Q114-F161 HydrophobicContact CG-CB 4.21Å; N116-F161 WeakPolarHBondContact OD1-CD1 3.35Å; M119-F161 HydrophobicContact CE-CD1 3.84Å; M119-F161 HydrophobicContact CE-CE1 3.5Å; M119-F161 HydrophobicContact CE-CZ 4.46Å; M119-F161 HydrophobicContact SD-CD1 4.47Å; M119-F161 HydrophobicContact SD-CE1 3.89Å; M119-F161 HydrophobicContact SD-CZ 4.32Å; I156-F161 CarbonylContact C-O 3.05Å; I156-F161 WeakPolarHBondContact CA-O 3.42Å; A157-F161 HydrophobicContact CB-CB 4.48Å; A157-F161 PolarHBondContact N-O 3.01Å; A157-F161 WeakPolarHBondContact O-CB 3.38Å; A157-F161 PolarHBondContact O-N 3.23Å; P159-F161 HydrophobicContact CG-CD2 4.33Å; P159-F161 HydrophobicContact CG-CE2 3.95Å; P159-F161 HydrophobicContact CG-CZ 4.37Å
162	I	96.9	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	100.9	175.2	-54.1	171.8	0	0	0	107.7	F84 Q114 C115 A138 I141 T142 V154	F84-I162 HydrophobicContact CE1-CD1 4.18Å; F84-I162 HydrophobicContact CE1-CG2 4.05Å; F84-I162 HydrophobicContact CZ-CG2 4.01Å; Q114-I162 CarbonylContact C-O 3.48Å; Q114-I162 WeakPolarHBondContact CA-O 3.3Å; C115-I162 HydrophobicContact CB-CB 4.13Å; C115-I162 PolarHBondContact N-O 3.26Å; C115-I162 PolarHBondContact O-N 3.42Å; A138-I162 HydrophobicContact CB-CD1 4.02Å; A138-I162 HydrophobicContact CB-CG1 3.76Å; I141-I162 HydrophobicContact CB-CD1 4.23Å; I141-I162 HydrophobicContact CD1-CD1 4.42Å; I141-I162 HydrophobicContact CG2-CD1 4.05Å; T142-I162 HydrophobicContact CG2-CD1 4.36Å; T142-I162 HydrophobicContact CG2-CG2 3.92Å; V154-I162 HydrophobicContact CB-CG2 4.28Å
163	N	97	Very high	95.4	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.2	174.1	-62.1	-19.9	0	0	0	109.4	F110 Q114 V154 E155 A157	F110-N163 WeakPolarHBondContact O-CB 3.27Å; Q114-N163 PolarHBondContact NE2-OD1 3.43Å; V154-N163 CarbonylContact C-O 3.58Å; V154-N163 VanDerWaalsContact CA-O 3.29Å; V154-N163 WeakPolarHBondContact CA-O 3.19Å; E155-N163 HydrophobicContact CB-CB 4.35Å; E155-N163 PolarHBondContact N-O 3.35Å; E155-N163 PolarHBondContact O-N 3.28Å; A157-N163 WeakPolarHBondContact CB-ND2 2.96Å
164	V	97.3	Very high	95.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.3	-175.1	-177.2	0	0	0	0	109.1	L80 F84 D112 Y113 I151 V154	L80-V164 HydrophobicContact CD2-CG1 4.25Å; F84-V164 HydrophobicContact CE2-CG2 3.86Å; F84-V164 HydrophobicContact CZ-CG2 3.71Å; D112-V164 PolarHBondContact N-O 3.07Å; Y113-V164 PolarHBondContact N-O 3.33Å; Y113-V164 PolarHBondContact O-N 3.34Å; I151-V164 HydrophobicContact CD1-CG1 4.23Å; I151-V164 HydrophobicContact CG1-CG1 3.92Å; I151-V164 HydrophobicContact CG2-CG1 4.11Å; V154-V164 HydrophobicContact CG1-CG2 4.37Å
165	H	96.5	Very high	95.4	Very high	42 Å²	42	36.4 Å²	36.4	19%	0.194	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.2	171.8	-62.8	-109.7	0	0	0	109.3	D112 E152 Q153 E155	D112-H165 WeakPolarHBondContact OD2-CA 3.35Å; E152-H165 PolarHBondContact N-O 3.34Å; Q153-H165 HydrophobicContact CG-CB 3.55Å; Q153-H165 PolarHBondContact N-O 2.8Å; Q153-H165 PolarHBondContact NE2-CD2 3.32Å; Q153-H165 PolarHBondContact O-N 3.44Å; E155-H165 IonicContact OE1-NE2 3.21Å
166	L	97.3	Very high	95.4	Very high	8 Å²	8	34 Å²	34	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	150.4	-178.3	-59.4	176.2	0	0	0	111.7	I76 D112 Y113 C150 V171 W572	I76-L166 HydrophobicContact CD1-CD1 4.46Å; I76-L166 HydrophobicContact CG2-CD2 4.21Å; D112-L166 HydrophobicContact CB-CD1 4.21Å; D112-L166 HydrophobicContact CB-CG 4.01Å; D112-L166 PolarHBondContact OD2-N 3.39Å; Y113-L166 HydrophobicContact CD2-CD1 4.36Å; Y113-L166 HydrophobicContact CD2-CD2 4.41Å; Y113-L166 HydrophobicContact CD2-CG 4.48Å; Y113-L166 HydrophobicContact CE2-CD1 4.01Å; C150-L166 CarbonylContact O-C 3.42Å; C150-L166 VanDerWaalsContact O-CA 3.29Å; C150-L166 WeakPolarHBondContact O-CA 3.29Å; L166-V171 HydrophobicContact CB-CG2 4.16Å; L166-V171 HydrophobicContact CD1-CG2 4.09Å; L166-W572 HydrophobicContact CB-CH2 3.89Å; L166-W572 HydrophobicContact CB-CZ2 3.96Å; L166-W572 WeakPolarHBondContact O-CH2 3.4Å
167	R	97.3	Very high	95.3	Very high	86 Å²	86	32.8 Å²	32.8	33%	0.325	18%	0.177	S	C	.	.			trans	-69.4	130.7	170.7	-60.1	-175.8	58.7	-161.6	-8.8	109.9	E149 C150 I151 E152 D169 F170 V171	E149-R167 WeakPolarHBondContact O-CD 3.47Å; C150-R167 PolarHBondContact O-N 2.68Å; I151-R167 VanDerWaalsContact O-CD 3.31Å; I151-R167 WeakPolarHBondContact O-CD 3.45Å; I151-R167 WeakPolarHBondContact O-CG 3.41Å; E152-R167 HydrophobicContact CB-CG 3.81Å; E152-R167 VanDerWaalsContact N-CG 3.33Å; E152-R167 WeakPolarHBondContact OE2-CG 3.39Å; E152-R167 IonicContact OE2-NE 2.78Å; R167-D169 VanDerWaalsContact C-N 3.29Å; R167-D169 PolarHBondContact O-N 2.88Å; R167-F170 HydrophobicContact CB-CB 4.11Å; R167-F170 PolarHBondContact O-N 2.98Å; R167-V171 PolarHBondContact O-N 3.12Å
168	K	96.5	Very high	95.5	Very high	89 Å²	89	31.7 Å²	31.7	39%	0.387	17%	0.168	S	C	.	.	H	α-helix	trans	-60.5	-40	177.4	-74.1	-177.4	172.9	-178.3	0	112.6	V171 S172 L566 D567 W572	K168-V171 PolarHBondContact O-N 3.44Å; K168-S172 WeakPolarHBondContact O-CB 3.46Å; K168-S172 PolarHBondContact O-N 3.24Å; K168-L566 WeakPolarHBondContact CE-O 3.42Å; K168-L566 PolarHBondContact NZ-O 2.96Å; K168-D567 IonicContact NZ-OD1 3.84Å; K168-D567 PolarHBondContact NZ-OD1 2.81Å; K168-W572 HydrophobicContact CB-CZ3 4.27Å; K168-W572 HydrophobicContact CG-CE3 4.19Å; K168-W572 HydrophobicContact CG-CH2 4.24Å; K168-W572 HydrophobicContact CG-CZ3 3.77Å
169	D	95.7	Very high	95.7	Very high	66 Å²	66	31 Å²	31	35%	0.353	15%	0.152	S	C	.	.	H	α-helix	trans	-60.1	-46.7	178.9	-71.1	-26.8	0	0	0	111.4	R167 V171 S172 E173 K563	R167-D169 VanDerWaalsContact C-N 3.29Å; R167-D169 PolarHBondContact O-N 2.88Å; D169-V171 PolarHBondContact O-N 3.43Å; D169-S172 WeakPolarHBondContact O-CB 3.46Å; D169-S172 PolarHBondContact O-N 2.81Å; D169-E173 WeakPolarHBondContact O-CB 3.49Å; D169-E173 VanDerWaalsContact O-CG 3.3Å; D169-E173 WeakPolarHBondContact O-CG 3.49Å; D169-E173 PolarHBondContact O-N 2.6Å; D169-K563 WeakPolarHBondContact OD1-CE 3.42Å; D169-K563 IonicContact OD1-NZ 3.79Å; D169-K563 PolarHBondContact OD1-NZ 2.74Å
170	F	95.7	Very high	95.9	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-48.7	176.7	172.7	-100.7	0	0	0	112	I74 I76 E149 C150 R167 S172 E173 Q174	I74-F170 HydrophobicContact CD1-CE2 4.36Å; I76-F170 HydrophobicContact CD1-CE1 4.21Å; I76-F170 HydrophobicContact CG1-CE1 4.16Å; E149-F170 HydrophobicContact CG-CD2 3.99Å; E149-F170 HydrophobicContact CG-CE2 3.98Å; C150-F170 HydrophobicContact CB-CD1 3.69Å; C150-F170 HydrophobicContact CB-CD2 3.95Å; C150-F170 HydrophobicContact CB-CE1 3.72Å; C150-F170 HydrophobicContact CB-CE2 3.97Å; C150-F170 HydrophobicContact CB-CG 3.81Å; C150-F170 HydrophobicContact CB-CZ 3.86Å; R167-F170 HydrophobicContact CB-CB 4.11Å; R167-F170 PolarHBondContact O-N 2.98Å; F170-S172 VanDerWaalsContact C-N 3.34Å; F170-S172 PolarHBondContact O-N 2.86Å; F170-E173 PolarHBondContact O-N 3.45Å; F170-Q174 HydrophobicContact CD2-CG 4.41Å; F170-Q174 HydrophobicContact CE1-CG 4.24Å; F170-Q174 HydrophobicContact CE2-CG 4Å; F170-Q174 HydrophobicContact CZ-CG 3.91Å; F170-Q174 WeakPolarHBondContact O-CG 3.37Å; F170-Q174 PolarHBondContact O-N 2.9Å
171	V	96.8	Very high	95.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-43.8	179.1	176.8	0	0	0	0	110.8	L166 R167 K168 D169 Q174 L175 L566 W572 L579	L166-V171 HydrophobicContact CB-CG2 4.16Å; L166-V171 HydrophobicContact CD1-CG2 4.09Å; R167-V171 PolarHBondContact O-N 3.12Å; K168-V171 PolarHBondContact O-N 3.44Å; D169-V171 PolarHBondContact O-N 3.43Å; V171-Q174 PolarHBondContact O-N 3.2Å; V171-L175 HydrophobicContact CG1-CD1 4.19Å; V171-L175 VanDerWaalsContact O-CG 3.26Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 2.71Å; V171-L175 VanDerWaalsContact O-N 3.08Å; V171-L566 HydrophobicContact CB-CD1 3.82Å; V171-L566 HydrophobicContact CG1-CD1 3.48Å; V171-L566 VanDerWaalsContact CG1-CD1 3.48Å; V171-W572 HydrophobicContact CB-CH2 4.28Å; V171-W572 HydrophobicContact CB-CZ3 3.88Å; V171-W572 HydrophobicContact CG1-CZ3 4.16Å; V171-W572 HydrophobicContact CG2-CH2 3.61Å; V171-W572 HydrophobicContact CG2-CZ3 3.72Å; V171-L579 HydrophobicContact CB-CD1 4.2Å; V171-L579 HydrophobicContact CG1-CD1 3.76Å; V171-L579 HydrophobicContact CG2-CD1 4.4Å
172	S	97.1	Very high	95.9	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-45.9	177	-173.4	0	0	0	0	112.2	K168 D169 F170 Q174 L175 T176 I564	K168-S172 WeakPolarHBondContact O-CB 3.46Å; K168-S172 PolarHBondContact O-N 3.24Å; D169-S172 WeakPolarHBondContact O-CB 3.46Å; D169-S172 PolarHBondContact O-N 2.81Å; F170-S172 VanDerWaalsContact C-N 3.34Å; F170-S172 PolarHBondContact O-N 2.86Å; S172-Q174 PolarHBondContact O-N 3.33Å; S172-L175 WeakPolarHBondContact O-CB 3.47Å; S172-L175 PolarHBondContact O-N 2.82Å; S172-T176 PolarHBondContact O-N 2.94Å; S172-T176 PolarHBondContact O-OG1 3.42Å; S172-I564 WeakPolarHBondContact CB-O 3.41Å; S172-I564 PolarHBondContact OG-N 3Å; S172-I564 PolarHBondContact OG-O 3.14Å
173	E	95	Very high	95.8	Very high	117 Å²	117	32.5 Å²	32.5	55%	0.547	17%	0.169	S	C	.	.	H	α-helix	trans	-62.7	-40.8	179.3	-74.5	170.3	-172.4	0	0	112.5	D169 F170 T176 S177	D169-E173 WeakPolarHBondContact O-CB 3.49Å; D169-E173 VanDerWaalsContact O-CG 3.3Å; D169-E173 WeakPolarHBondContact O-CG 3.49Å; D169-E173 PolarHBondContact O-N 2.6Å; F170-E173 PolarHBondContact O-N 3.45Å; E173-T176 PolarHBondContact O-N 3.11Å; E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.44Å
174	Q	95.2	Very high	95.4	Very high	21 Å²	21	37 Å²	37	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-36.9	176.8	-65	-54.8	-56.9	0	0	112.3	F170 V171 S172 T176 S177 L178 L579	F170-Q174 HydrophobicContact CD2-CG 4.41Å; F170-Q174 HydrophobicContact CE1-CG 4.24Å; F170-Q174 HydrophobicContact CE2-CG 4Å; F170-Q174 HydrophobicContact CZ-CG 3.91Å; F170-Q174 WeakPolarHBondContact O-CG 3.37Å; F170-Q174 PolarHBondContact O-N 2.9Å; V171-Q174 PolarHBondContact O-N 3.2Å; S172-Q174 PolarHBondContact O-N 3.33Å; Q174-T176 VanDerWaalsContact C-N 3.34Å; Q174-S177 WeakPolarHBondContact O-CB 3.41Å; Q174-S177 PolarHBondContact O-N 3.06Å; Q174-L178 PolarHBondContact O-N 3.25Å; Q174-L178 VanDerWaalsContact O-N 3.11Å; Q174-L579 HydrophobicContact CB-CD1 3.64Å; Q174-L579 HydrophobicContact CB-CD2 3.68Å; Q174-L579 HydrophobicContact CB-CG 4.33Å; Q174-L579 HydrophobicContact CG-CD1 4.34Å
175	L	96.8	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-37.8	172.7	-68.4	171	0	0	0	111.7	V171 S172 L178 L179 I564 L566 I578 L579 L637	V171-L175 HydrophobicContact CG1-CD1 4.19Å; V171-L175 VanDerWaalsContact O-CG 3.26Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 2.71Å; V171-L175 VanDerWaalsContact O-N 3.08Å; S172-L175 WeakPolarHBondContact O-CB 3.47Å; S172-L175 PolarHBondContact O-N 2.82Å; L175-L178 HydrophobicContact CD2-CD2 4.17Å; L175-L178 WeakPolarHBondContact O-CG 3.5Å; L175-L179 WeakPolarHBondContact O-CD1 3.39Å; L175-L179 VanDerWaalsContact O-CG 3.29Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 3.42Å; L175-I564 HydrophobicContact CB-CD1 3.61Å; L175-I564 HydrophobicContact CD1-CD1 4.45Å; L175-I564 HydrophobicContact CD1-CG2 4.26Å; L175-L566 HydrophobicContact CD1-CD1 4.33Å; L175-L566 HydrophobicContact CD1-CD2 4.25Å; L175-I578 HydrophobicContact CD2-CB 3.76Å; L175-I578 HydrophobicContact CD2-CD1 3.78Å; L175-I578 HydrophobicContact CD2-CG1 4.39Å; L175-I578 HydrophobicContact CD2-CG2 3.48Å; L175-I578 VanDerWaalsContact CD2-CG2 3.48Å; L175-L579 HydrophobicContact CD2-CD2 4.03Å; L175-L579 HydrophobicContact CD2-CG 4.19Å; L175-L579 HydrophobicContact CG-CD2 4.38Å; L175-L579 HydrophobicContact CG-CG 4.47Å; L175-L637 HydrophobicContact CD1-CD2 3.88Å
176	T	95.8	Very high	94.2	Very high	33 Å²	33	38.6 Å²	38.6	20%	0.202	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-41.2	172	-67.3	0	0	0	0	111.3	S172 E173 Q174 L178 L179 V180 A559	S172-T176 PolarHBondContact O-N 2.94Å; S172-T176 PolarHBondContact O-OG1 3.42Å; E173-T176 PolarHBondContact O-N 3.11Å; Q174-T176 VanDerWaalsContact C-N 3.34Å; T176-L178 PolarHBondContact O-N 3.2Å; T176-L179 PolarHBondContact O-N 3.23Å; T176-L179 VanDerWaalsContact O-N 3.15Å; T176-V180 HydrophobicContact CG2-CG2 4.11Å; T176-V180 WeakPolarHBondContact O-CG2 3.35Å; T176-V180 PolarHBondContact O-N 2.84Å; T176-A559 WeakPolarHBondContact CG2-O 3.38Å
177	S	94.3	Very high	93.2	Very high	15 Å²	15	41.4 Å²	41.4	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-47.5	-179.5	-172.3	0	0	0	0	112.3	E173 Q174 L179 V180 N181	E173-S177 WeakPolarHBondContact O-CB 3.42Å; E173-S177 PolarHBondContact O-N 3.44Å; Q174-S177 WeakPolarHBondContact O-CB 3.41Å; Q174-S177 PolarHBondContact O-N 3.06Å; S177-L179 VanDerWaalsContact C-N 3.27Å; S177-L179 PolarHBondContact O-N 2.86Å; S177-V180 PolarHBondContact O-N 3.31Å; S177-N181 WeakPolarHBondContact O-CB 3.26Å; S177-N181 PolarHBondContact O-N 3.35Å; S177-N181 PolarHBondContact O-ND2 3.46Å; S177-N181 PolarHBondContact OG-ND2 3.08Å; S177-N181 VanDerWaalsContact OG-ND2 3.16Å
178	L	95.4	Very high	92.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-27.9	178.8	73.5	86.7	0	0	0	112.9	M73 Q174 L175 T176 G182 V183 I578 L579 A640	M73-L178 HydrophobicContact CE-CD2 3.89Å; M73-L178 HydrophobicContact CG-CB 4.01Å; M73-L178 HydrophobicContact SD-CB 4.13Å; M73-L178 HydrophobicContact SD-CD2 4.43Å; Q174-L178 PolarHBondContact O-N 3.25Å; Q174-L178 VanDerWaalsContact O-N 3.11Å; L175-L178 HydrophobicContact CD2-CD2 4.17Å; L175-L178 WeakPolarHBondContact O-CG 3.5Å; T176-L178 PolarHBondContact O-N 3.2Å; L178-G182 CarbonylContact O-C 3.41Å; L178-G182 WeakPolarHBondContact O-CA 3.48Å; L178-G182 PolarHBondContact O-N 3.26Å; L178-G182 VanDerWaalsContact O-N 3.1Å; L178-V183 HydrophobicContact CB-CG2 4.26Å; L178-V183 HydrophobicContact CD1-CG2 3.97Å; L178-I578 HydrophobicContact CD2-CG2 3.78Å; L178-L579 HydrophobicContact CD2-CD2 4.06Å; L178-A640 HydrophobicContact CD1-CB 3.87Å
179	L	95.3	Very high	90.6	Very high	33 Å²	33	36.4 Å²	36.4	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-75.7	-39.1	177.9	-73.3	171.7	0	0	0	111.9	L175 T176 S177 A559 I564 L636 E639 A640	L175-L179 WeakPolarHBondContact O-CD1 3.39Å; L175-L179 VanDerWaalsContact O-CG 3.29Å; L175-L179 WeakPolarHBondContact O-CG 3.47Å; L175-L179 PolarHBondContact O-N 3.42Å; T176-L179 PolarHBondContact O-N 3.23Å; T176-L179 VanDerWaalsContact O-N 3.15Å; S177-L179 VanDerWaalsContact C-N 3.27Å; S177-L179 PolarHBondContact O-N 2.86Å; L179-A559 HydrophobicContact CB-CB 4.03Å; L179-A559 HydrophobicContact CD1-CB 4.48Å; L179-I564 HydrophobicContact CD1-CD1 4.15Å; L179-L636 HydrophobicContact CD1-CB 3.86Å; L179-L636 HydrophobicContact CD1-CD2 4.26Å; L179-L636 HydrophobicContact CD1-CG 4.48Å; L179-E639 HydrophobicContact CD2-CB 3.85Å; L179-E639 HydrophobicContact CD2-CG 3.66Å; L179-A640 HydrophobicContact CD1-CB 4.44Å; L179-A640 HydrophobicContact CD2-CB 4.03Å; L179-A640 HydrophobicContact CG-CB 4.26Å
180	V	94.5	Very high	89.6	Confident	64 Å²	64	40.1 Å²	40.1	39%	0.388	23%	0.228	S	C	.	.	H	α-helix	trans	-83.5	-43.2	-176.3	176	0	0	0	0	111.8	T176 S177 A559 R560	T176-V180 HydrophobicContact CG2-CG2 4.11Å; T176-V180 WeakPolarHBondContact O-CG2 3.35Å; T176-V180 PolarHBondContact O-N 2.84Å; S177-V180 PolarHBondContact O-N 3.31Å; V180-A559 HydrophobicContact CG2-CB 4.27Å; V180-R560 HydrophobicContact CG1-CG 4.26Å; V180-R560 HydrophobicContact CG2-CG 3.87Å
181	N	93.3	Very high	88.9	Confident	59 Å²	59	47.2 Å²	47.2	32%	0.316	27%	0.267	S	S	.	.	H	α-helix	trans	-95.1	-10.8	-175.7	-56.3	-54.2	0	0	0	112.8	K71 S177	K71-N181 HydrophobicContact CB-CB 4.34Å; K71-N181 WeakPolarHBondContact O-CB 3.38Å; K71-N181 PolarHBondContact O-ND2 3.22Å; S177-N181 WeakPolarHBondContact O-CB 3.26Å; S177-N181 PolarHBondContact O-N 3.35Å; S177-N181 PolarHBondContact O-ND2 3.46Å; S177-N181 PolarHBondContact OG-ND2 3.08Å; S177-N181 VanDerWaalsContact OG-ND2 3.16Å
182	G	93.8	Very high	88.8	Confident	29 Å²	29	51.9 Å²	51.9	30%	0.299	29%	0.287	S	S	.	.			trans	89.5	161.5	-172.2	0	0	0	0	0	112.8	L178 Q184	L178-G182 CarbonylContact O-C 3.41Å; L178-G182 WeakPolarHBondContact O-CA 3.48Å; L178-G182 PolarHBondContact O-N 3.26Å; L178-G182 VanDerWaalsContact O-N 3.1Å; G182-Q184 PolarHBondContact O-N 3.41Å; G182-Q184 VanDerWaalsContact O-N 3.12Å
183	V	94.6	Very high	88.8	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.048	30%	0.295	C	S	.	.	S	Bend	trans	-77.2	99	175.9	175.9	0	0	0	0	108.5	M73 L178 F227 F581 A643 V644 K647	M73-V183 HydrophobicContact SD-CB 4.49Å; M73-V183 HydrophobicContact SD-CG1 3.84Å; L178-V183 HydrophobicContact CB-CG2 4.26Å; L178-V183 HydrophobicContact CD1-CG2 3.97Å; V183-F227 HydrophobicContact CG1-CZ 4.46Å; V183-F581 HydrophobicContact CG1-CD1 4.06Å; V183-F581 HydrophobicContact CG1-CE1 3.8Å; V183-A643 HydrophobicContact CG2-CB 3.79Å; V183-V644 HydrophobicContact CG1-CG2 4.36Å; V183-V644 HydrophobicContact CG2-CG2 3.97Å; V183-K647 HydrophobicContact CB-CG 3.93Å; V183-K647 HydrophobicContact CG1-CB 4.03Å; V183-K647 HydrophobicContact CG1-CG 3.91Å
184	Q	90.3	Very high	89	Confident	97 Å²	97	48.2 Å²	48.2	45%	0.453	27%	0.269	S	S	.	.			trans	-136.5	140.3	-177.9	-63.8	-177.9	-20.1	0	0	110.6	M73 G182	M73-Q184 PolarHBondContact N-O 3.45Å; G182-Q184 PolarHBondContact O-N 3.41Å; G182-Q184 VanDerWaalsContact O-N 3.12Å
185	L	87.1	Confident	89.2	Confident	22 Å²	22	47.2 Å²	47.2	12%	0.115	26%	0.264	C	S	.	.			trans	-80.7	153.9	167.9	-69.6	176.4	0	0	0	110.3	F227 A228 P582 L585	L185-F227 HydrophobicContact CB-CE1 4.47Å; L185-F227 HydrophobicContact CD1-CD1 3.66Å; L185-F227 HydrophobicContact CD1-CE1 3.7Å; L185-F227 HydrophobicContact CG-CD1 4.04Å; L185-F227 HydrophobicContact CG-CE1 3.57Å; L185-F227 HydrophobicContact CG-CZ 4.26Å; L185-A228 HydrophobicContact CD1-CB 4.4Å; L185-P582 HydrophobicContact CD2-CB 3.56Å; L185-P582 HydrophobicContact CD2-CG 3.96Å; L185-L585 HydrophobicContact CD1-CB 4.39Å; L185-L585 HydrophobicContact CD1-CD1 3.79Å; L185-L585 HydrophobicContact CD2-CD1 4.4Å; L185-L585 HydrophobicContact CG-CD1 4.33Å
186	P	80.5	Confident	89.3	Confident	54 Å²	54	47.2 Å²	47.2	35%	0.351	26%	0.264	S	S	.	.			trans	-57.7	144.4	161.8	27.6	-33.1	0	0	0	109	N72 M73 V188	N72-P186 HydrophobicContact CB-CB 4.48Å; M73-P186 WeakPolarHBondContact O-CD 3.4Å; P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 HydrophobicContact CG-CG2 4.24Å; P186-V188 WeakPolarHBondContact O-CG2 3.5Å; P186-V188 PolarHBondContact O-N 2.64Å
187	A	75.6	Confident	89.4	Confident	66 Å²	66	45.8 Å²	45.8	55%	0.545	26%	0.255	S	S	.	.			trans	-66.8	91.3	176.3	0	0	0	0	0	109.3
188	V	74.6	Confident	89.6	Confident	69 Å²	69	45.1 Å²	45.1	42%	0.418	25%	0.25	S	S	.	.	S	Bend	trans	-80.1	-29.6	-179.6	-175.7	0	0	0	0	110.5	P186 A228	P186-V188 VanDerWaalsContact C-N 3.31Å; P186-V188 HydrophobicContact CG-CG2 4.24Å; P186-V188 WeakPolarHBondContact O-CG2 3.5Å; P186-V188 PolarHBondContact O-N 2.64Å; V188-A228 PolarHBondContact N-O 3.22Å
189	G	64.7	Low	89.7	Confident	1 Å²	1	45 Å²	45	1%	0.01	25%	0.25	C	C	.	.	S	Bend	trans	-99.6	14.8	-173.2	0	0	0	0	0	116.6	N191 K192 A228 G229	G189-N191 PolarHBondContact O-N 2.97Å; G189-N191 VanDerWaalsContact O-N 3.14Å; G189-K192 WeakPolarHBondContact O-CB 3.32Å; G189-K192 PolarHBondContact O-N 3.08Å; G189-A228 PolarHBondContact N-O 3.4Å; G189-G229 CarbonylContact C-O 3.47Å
190	E	74.8	Confident	89.7	Confident	144 Å²	144	44.6 Å²	44.6	67%	0.673	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	122.7	-170.3	-162.8	176.5	-169.6	0	0	112	K192	E190-K192 VanDerWaalsContact C-N 3.29Å; E190-K192 PolarHBondContact O-N 3.45Å
191	N	81.6	Confident	89.7	Confident	153 Å²	153	41.6 Å²	41.6	82%	0.818	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	15.9	-176	-55	-53.2	0	0	0	116.9	G189	G189-N191 PolarHBondContact O-N 2.97Å; G189-N191 VanDerWaalsContact O-N 3.14Å
192	K	94.3	Very high	89.6	Confident	99 Å²	99	40.6 Å²	40.6	43%	0.43	23%	0.226	S	C	.	.			trans	-97.4	134.2	171.6	-69.2	-171.6	177.8	-175.4	0	111.6	G189 E190 Y230 D231 D402	G189-K192 WeakPolarHBondContact O-CB 3.32Å; G189-K192 PolarHBondContact O-N 3.08Å; E190-K192 VanDerWaalsContact C-N 3.29Å; E190-K192 PolarHBondContact O-N 3.45Å; K192-Y230 HydrophobicContact CB-CD1 3.55Å; K192-Y230 HydrophobicContact CB-CE1 3.69Å; K192-Y230 HydrophobicContact CD-CE1 3.88Å; K192-Y230 HydrophobicContact CG-CE1 4.42Å; K192-D231 PolarHBondContact O-N 3.04Å; K192-D402 VanDerWaalsContact CA-OD2 3.23Å; K192-D402 WeakPolarHBondContact CA-OD2 3.36Å; K192-D402 HydrophobicContact CB-CB 4.23Å; K192-D402 HydrophobicContact CG-CB 4.41Å
193	K	97.8	Very high	89.4	Confident	42 Å²	42	39.2 Å²	39.2	18%	0.183	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	127.8	-180	-165.6	174.4	-177.3	177.7	0	111.6	D231 E399 D402 M403	K193-D231 CarbonylContact C-O 3.57Å; K193-D231 WeakPolarHBondContact CA-O 3.45Å; K193-D231 HydrophobicContact CG-CB 4.47Å; K193-E399 VanDerWaalsContact CD-O 3.26Å; K193-E399 WeakPolarHBondContact CD-O 3.49Å; K193-E399 PolarHBondContact NZ-O 3.35Å; K193-E399 IonicContact NZ-OE2 3.26Å; K193-E399 PolarHBondContact NZ-OE2 3.25Å; K193-D402 PolarHBondContact N-OD2 3.3Å; K193-D402 PolarHBondContact O-N 2.62Å; K193-M403 PolarHBondContact O-N 2.87Å
194	V	98.6	Very high	88.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.7	177.6	-176.8	0	0	0	0	109.2	V196 F225 Y230 D231 V232 L233 M403 I405	V194-V196 HydrophobicContact CG1-CG2 4.17Å; V194-F225 HydrophobicContact CB-CD1 4.42Å; V194-F225 HydrophobicContact CG1-CD1 4.27Å; V194-F225 HydrophobicContact CG1-CG 4.29Å; V194-F225 HydrophobicContact CG2-CD1 3.77Å; V194-F225 HydrophobicContact CG2-CE1 4.19Å; V194-F225 HydrophobicContact CG2-CG 4.42Å; V194-Y230 HydrophobicContact CG2-CD1 3.41Å; V194-Y230 VanDerWaalsContact CG2-CD1 3.41Å; V194-Y230 HydrophobicContact CG2-CE1 4.12Å; V194-Y230 HydrophobicContact CG2-CG 3.86Å; V194-D231 PolarHBondContact N-O 3.45Å; V194-V232 HydrophobicContact CB-CG2 4.49Å; V194-V232 CarbonylContact O-C 3.58Å; V194-V232 WeakPolarHBondContact O-CA 3.34Å; V194-L233 PolarHBondContact O-N 3.26Å; V194-M403 WeakPolarHBondContact CA-O 3.35Å; V194-M403 HydrophobicContact CG1-CB 4.3Å; V194-M403 HydrophobicContact CG2-CB 4.14Å; V194-I405 HydrophobicContact CG1-CD1 4.12Å; V194-I405 HydrophobicContact CG1-CG1 4.49Å
195	I	98.9	Very high	88.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.4	173.8	-58.5	-176.7	0	0	0	108.5	L233 L235 R395 E399 A401 M403 I404 I405	I195-L233 WeakPolarHBondContact CA-O 3.44Å; I195-L233 HydrophobicContact CD1-CD2 4.24Å; I195-L233 HydrophobicContact CG1-CB 4.21Å; I195-L233 HydrophobicContact CG1-CD2 4.34Å; I195-L235 HydrophobicContact CG2-CD1 3.46Å; I195-L235 VanDerWaalsContact CG2-CD1 3.46Å; I195-L235 HydrophobicContact CG2-CG 3.84Å; I195-R395 HydrophobicContact CD1-CB 3.85Å; I195-R395 HydrophobicContact CD1-CG 3.92Å; I195-E399 HydrophobicContact CD1-CB 3.63Å; I195-E399 HydrophobicContact CD1-CG 3.93Å; I195-A401 HydrophobicContact CD1-CB 3.76Å; I195-A401 HydrophobicContact CG1-CB 3.85Å; I195-M403 PolarHBondContact N-O 3.14Å; I195-I404 HydrophobicContact CB-CG1 4.48Å; I195-I404 HydrophobicContact CB-CG2 4.3Å; I195-I404 HydrophobicContact CG2-CG2 4.5Å; I195-I404 WeakPolarHBondContact O-CA 3.4Å; I195-I405 PolarHBondContact O-N 2.83Å
196	V	98.9	Very high	88.4	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.3	175.4	-168.5	0	0	0	0	108.3	V194 F198 I221 V232 L233 L235 I405 V407	V194-V196 HydrophobicContact CG1-CG2 4.17Å; V196-F198 HydrophobicContact CB-CD1 4.19Å; V196-F198 HydrophobicContact CG1-CD1 3.79Å; V196-F198 HydrophobicContact CG1-CE1 4.46Å; V196-F198 HydrophobicContact CG1-CG 4.49Å; V196-I221 HydrophobicContact CG1-CG2 4.49Å; V196-I221 HydrophobicContact CG2-CG2 4.37Å; V196-V232 HydrophobicContact CG2-CG1 4.14Å; V196-L233 PolarHBondContact N-O 3.49Å; V196-L235 PolarHBondContact O-N 3.37Å; V196-I405 HydrophobicContact CG1-CB 4.47Å; V196-V407 HydrophobicContact CG1-CG2 3.91Å
197	D	98.8	Very high	88.8	Confident	4 Å²	4	37 Å²	37	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.7	174.3	-173.9	-25.9	0	0	0	109	S200 H237 R395 I405 Y406 V407	D197-S200 PolarHBondContact OD1-OG 3.22Å; D197-H237 VanDerWaalsContact OD1-CB 3.31Å; D197-H237 WeakPolarHBondContact OD1-CB 3.46Å; D197-H237 WeakPolarHBondContact OD2-CB 3.35Å; D197-H237 IonicContact OD2-CG 3.04Å; D197-R395 IonicContact OD2-CZ 3.86Å; D197-R395 IonicContact OD2-NH1 3.04Å; D197-R395 PolarHBondContact OD2-NH1 2.97Å; D197-R395 IonicContact OD2-NH2 3.9Å; D197-R395 PolarHBondContact OD2-NH2 2.71Å; D197-I405 PolarHBondContact N-O 3.14Å; D197-Y406 HydrophobicContact CB-CD1 4.23Å; D197-V407 WeakPolarHBondContact O-CB 3.46Å; D197-V407 PolarHBondContact O-N 3.03Å
198	F	98.7	Very high	89.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.			trans	-155.2	170.1	-175.7	74.1	-83.8	0	0	0	112.3	V196 S200 S214 T215 E219 R234 L235 V328 L330 V407	V196-F198 HydrophobicContact CB-CD1 4.19Å; V196-F198 HydrophobicContact CG1-CD1 3.79Å; V196-F198 HydrophobicContact CG1-CE1 4.46Å; V196-F198 HydrophobicContact CG1-CG 4.49Å; F198-S200 PolarHBondContact O-N 3.4Å; F198-S200 PolarHBondContact O-OG 3.2Å; F198-S214 WeakPolarHBondContact CA-OG 3.43Å; F198-T215 WeakPolarHBondContact CE2-O 3.34Å; F198-E219 HydrophobicContact CE2-CB 3.88Å; F198-E219 HydrophobicContact CZ-CB 4.1Å; F198-R234 HydrophobicContact CE1-CB 3.82Å; F198-R234 HydrophobicContact CE1-CG 4.05Å; F198-R234 HydrophobicContact CZ-CB 4.37Å; F198-R234 HydrophobicContact CZ-CG 4.47Å; F198-L235 PolarHBondContact N-O 3.15Å; F198-V328 HydrophobicContact CE2-CG1 4.04Å; F198-V328 HydrophobicContact CZ-CG1 4.33Å; F198-L330 HydrophobicContact CD1-CD2 4.09Å; F198-L330 HydrophobicContact CD2-CD2 4.33Å; F198-L330 HydrophobicContact CE1-CD2 3.51Å; F198-L330 HydrophobicContact CE2-CD1 4.37Å; F198-L330 HydrophobicContact CE2-CD2 3.76Å; F198-L330 HydrophobicContact CE2-CG 4.26Å; F198-L330 HydrophobicContact CG-CD2 4.48Å; F198-L330 HydrophobicContact CZ-CD2 3.32Å; F198-L330 HydrophobicContact CZ-CG 4.01Å; F198-V407 HydrophobicContact CB-CB 3.88Å; F198-V407 HydrophobicContact CB-CG2 4.13Å
199	S	97.8	Very high	90.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	17%	0.17	C	C	.	.			trans	72.1	-69.5	-173.8	-166.5	0	0	0	0	112.6	P201 S214 T215 Y323	S199-P201 WeakPolarHBondContact O-CD 3.38Å; S199-P201 VanDerWaalsContact O-N 3.1Å; S199-S214 PolarHBondContact N-OG 2.93Å; S199-T215 WeakPolarHBondContact CB-OG1 3.42Å; S199-T215 PolarHBondContact OG-OG1 3.01Å; S199-T215 VanDerWaalsContact OG-OG1 3.04Å; S199-Y323 WeakPolarHBondContact OG-CE1 3.36Å; S199-Y323 PolarHBondContact OG-OH 3.38Å
200	S	95.8	Very high	91.3	Very high	25 Å²	25	35.6 Å²	35.6	18%	0.175	18%	0.179	C	C	.	.			trans	38	51.3	167.6	-54.9	0	0	0	0	115.6	D197 F198 N236 H237	D197-S200 PolarHBondContact OD1-OG 3.22Å; F198-S200 PolarHBondContact O-N 3.4Å; F198-S200 PolarHBondContact O-OG 3.2Å; S200-N236 VanDerWaalsContact CA-OD1 3.29Å; S200-N236 WeakPolarHBondContact CA-OD1 3.41Å; S200-N236 PolarHBondContact N-OD1 3.15Å; S200-H237 VanDerWaalsContact CB-O 3.3Å; S200-H237 WeakPolarHBondContact CB-O 3.22Å; S200-H237 WeakPolarHBondContact OG-CA 3.16Å; S200-H237 WeakPolarHBondContact OG-CB 3.35Å; S200-H237 PolarHBondContact OG-N 3.31Å
201	P	94.4	Very high	92.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-72.1	157.7	177.9	32.7	-37	0	0	0	112.3	S199 M207 N236 V238 G239 F319	S199-P201 WeakPolarHBondContact O-CD 3.38Å; S199-P201 VanDerWaalsContact O-N 3.1Å; P201-M207 HydrophobicContact CB-CB 4.4Å; P201-M207 HydrophobicContact CB-CG 4.09Å; P201-N236 WeakPolarHBondContact CD-OD1 3.25Å; P201-V238 HydrophobicContact CG-CG1 4.41Å; P201-V238 WeakPolarHBondContact O-CA 3.41Å; P201-G239 PolarHBondContact O-N 3.04Å; P201-F319 HydrophobicContact CB-CE1 4.34Å; P201-F319 HydrophobicContact CB-CE2 4.12Å; P201-F319 HydrophobicContact CB-CZ 3.88Å; P201-F319 HydrophobicContact CG-CD2 3.85Å; P201-F319 HydrophobicContact CG-CE1 4.28Å; P201-F319 HydrophobicContact CG-CE2 3.5Å; P201-F319 HydrophobicContact CG-CG 4.36Å; P201-F319 HydrophobicContact CG-CZ 3.76Å
202	N	91.3	Very high	92.8	Very high	39 Å²	39	23.4 Å²	23.4	21%	0.209	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-81	125.9	171.6	-73.4	-80.4	0	0	0	110.6	K205	N202-K205 HydrophobicContact CB-CB 4.21Å; N202-K205 HydrophobicContact CB-CD 4.05Å; N202-K205 HydrophobicContact CB-CG 4.43Å; N202-K205 PolarHBondContact O-N 3.35Å
203	I	89.6	Confident	92.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	146.3	175.3	-64.2	-72.6	0	0	0	109.8	K205 V238 G239 D240 F245 C312 S315 F319	I203-K205 PolarHBondContact O-N 3.04Å; I203-K205 VanDerWaalsContact O-N 3.1Å; I203-V238 HydrophobicContact CG1-CB 4.36Å; I203-G239 PolarHBondContact N-O 3.4Å; I203-G239 VanDerWaalsContact N-O 3.13Å; I203-D240 HydrophobicContact CG1-CB 3.8Å; I203-F245 HydrophobicContact CB-CE2 4.44Å; I203-F245 HydrophobicContact CB-CZ 3.67Å; I203-F245 HydrophobicContact CG2-CE1 3.79Å; I203-F245 HydrophobicContact CG2-CZ 3.44Å; I203-F245 VanDerWaalsContact CG2-CZ 3.44Å; I203-C312 HydrophobicContact CG2-CB 4.46Å; I203-S315 WeakPolarHBondContact CG2-OG 3.45Å; I203-F319 HydrophobicContact CD1-CD2 4.41Å; I203-F319 HydrophobicContact CD1-CE2 3.69Å
204	A	83.8	Confident	93	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	6.8	-175.9	0	0	0	0	0	116.3	L248 L269 I311 S315	A204-L248 HydrophobicContact CB-CD1 3.37Å; A204-L248 HydrophobicContact CB-CD2 4.41Å; A204-L269 VanDerWaalsContact CA-CD2 3.48Å; A204-L269 HydrophobicContact CB-CD2 3.91Å; A204-L269 HydrophobicContact CB-CG 4.03Å; A204-I311 HydrophobicContact CB-CG2 4.48Å; A204-S315 PolarHBondContact N-OG 2.82Å
205	K	83	Confident	92.9	Very high	86 Å²	86	17.2 Å²	17.2	37%	0.374	9%	0.091	S	C	.	.	S	Bend	trans	-112.9	152.2	164.4	-66.5	-178.5	-176.8	169.3	0	109.1	N202 I203 M207	N202-K205 HydrophobicContact CB-CB 4.21Å; N202-K205 HydrophobicContact CB-CD 4.05Å; N202-K205 HydrophobicContact CB-CG 4.43Å; N202-K205 PolarHBondContact O-N 3.35Å; I203-K205 PolarHBondContact O-N 3.04Å; I203-K205 VanDerWaalsContact O-N 3.1Å; K205-M207 PolarHBondContact O-N 3.14Å
206	E	82.3	Confident	92.9	Very high	36 Å²	36	17.5 Å²	17.5	17%	0.168	9%	0.093	C	C	.	.			trans	-66.8	131.9	173.9	-71.2	-176.1	165.2	0	0	110.6	Q270 R461	E206-Q270 HydrophobicContact CG-CB 3.98Å; E206-Q270 HydrophobicContact CG-CG 4.06Å; E206-Q270 PolarHBondContact OE1-NE2 3.36Å; E206-Q270 PolarHBondContact OE1-OE1 3.14Å; E206-Q270 PolarHBondContact OE2-NE2 2.88Å; E206-R461 WeakPolarHBondContact OE1-CG 3.09Å; E206-R461 IonicContact OE1-CZ 3.88Å; E206-R461 IonicContact OE1-NE 2.65Å; E206-R461 PolarHBondContact OE1-NE 3.05Å; E206-R461 IonicContact OE1-NH2 2.78Å; E206-R461 PolarHBondContact OE1-NH2 3.47Å
207	M	88.9	Confident	92.9	Very high	9 Å²	9	17.7 Å²	17.7	4%	0.044	9%	0.093	C	C	.	.			trans	-63.6	135.6	166.2	-166	-178.3	175.2	0	0	108.6	P201 K205 H211 T215 F319 I322 Y323 L462	P201-M207 HydrophobicContact CB-CB 4.4Å; P201-M207 HydrophobicContact CB-CG 4.09Å; K205-M207 PolarHBondContact O-N 3.14Å; M207-H211 HydrophobicContact CE-CB 3.73Å; M207-H211 HydrophobicContact CG-CB 3.64Å; M207-T215 WeakPolarHBondContact CE-OG1 3.47Å; M207-F319 HydrophobicContact CB-CD1 4.38Å; M207-F319 HydrophobicContact CB-CE1 4.06Å; M207-I322 HydrophobicContact CB-CD1 4.42Å; M207-I322 HydrophobicContact SD-CD1 3.99Å; M207-I322 HydrophobicContact SD-CG2 4.42Å; M207-Y323 HydrophobicContact CE-CE1 4.37Å; M207-L462 HydrophobicContact CB-CD1 3.97Å; M207-L462 HydrophobicContact CE-CD1 4.03Å; M207-L462 HydrophobicContact CG-CD1 3.52Å; M207-L462 HydrophobicContact SD-CD1 3.7Å
208	H	87.4	Confident	92.9	Very high	71 Å²	71	17.5 Å²	17.5	33%	0.329	9%	0.092	S	C	.	.			trans	-127.3	170	-172.8	63.5	49.9	0	0	0	111.4	G210 H211 L212 T459	H208-G210 PolarHBondContact ND1-N 3.3Å; H208-G210 VanDerWaalsContact ND1-N 3.14Å; H208-G210 PolarHBondContact O-N 3.42Å; H208-H211 AromaticContact CD2-CE1 3.47Å; H208-H211 PolarHBondContact CD2-CE1 2.82Å; H208-H211 VanDerWaalsContact CD2-CE1 3.47Å; H208-H211 AromaticContact CD2-ND1 3.49Å; H208-H211 PolarHBondContact CD2-ND1 2.83Å; H208-H211 AromaticContact CE1-CE1 3.25Å; H208-H211 PolarHBondContact CE1-CE1 2.96Å; H208-H211 AromaticContact CE1-CG 3.89Å; H208-H211 AromaticContact CE1-ND1 3.12Å; H208-H211 PolarHBondContact CE1-ND1 2.84Å; H208-H211 AromaticContact CG-CE1 3.86Å; H208-H211 AromaticContact CG-ND1 3.38Å; H208-H211 PolarHBondContact N-ND1 3.39Å; H208-H211 AromaticContact ND1-CE1 3.73Å; H208-H211 AromaticContact ND1-CG 3.94Å; H208-H211 PolarHBondContact ND1-N 2.87Å; H208-H211 AromaticContact ND1-ND1 3.14Å; H208-H211 PolarHBondContact ND1-ND1 2.83Å; H208-H211 VanDerWaalsContact ND1-ND1 3.14Å; H208-H211 AromaticContact NE2-CE1 3.09Å; H208-H211 PolarHBondContact NE2-CE1 3.31Å; H208-H211 AromaticContact NE2-ND1 3.36Å; H208-H211 PolarHBondContact NE2-ND1 3.07Å; H208-H211 WeakPolarHBondContact O-CA 3.45Å; H208-H211 WeakPolarHBondContact O-CB 3.34Å; H208-H211 PolarHBondContact O-N 2.79Å; H208-L212 PolarHBondContact O-N 2.76Å; H208-L212 VanDerWaalsContact O-N 3.09Å; H208-T459 HydrophobicContact CB-CG2 3.35Å
209	V	89.9	Confident	92.9	Very high	17 Å²	17	17.7 Å²	17.7	10%	0.103	9%	0.094	C	C	.	.	H	α-helix	trans	-54.6	-29.9	-175.4	-65	0	0	0	0	115.1	L212 R213 V444 F452 L462 L465	V209-L212 WeakPolarHBondContact O-CB 3.34Å; V209-L212 PolarHBondContact O-N 3.16Å; V209-R213 PolarHBondContact O-N 3.22Å; V209-V444 HydrophobicContact CB-CB 4.18Å; V209-V444 HydrophobicContact CB-CG1 4.11Å; V209-V444 HydrophobicContact CB-CG2 3.98Å; V209-V444 HydrophobicContact CG2-CB 3.62Å; V209-V444 HydrophobicContact CG2-CG1 3.83Å; V209-V444 HydrophobicContact CG2-CG2 3.84Å; V209-F452 HydrophobicContact CG1-CD1 3.8Å; V209-F452 HydrophobicContact CG1-CE1 4.01Å; V209-F452 HydrophobicContact CG2-CB 4.35Å; V209-F452 HydrophobicContact CG2-CD1 4.07Å; V209-L462 HydrophobicContact CG1-CD2 3.98Å; V209-L465 HydrophobicContact CG1-CD1 3.88Å
210	G	90.8	Very high	92.9	Very high	20 Å²	20	17.7 Å²	17.7	21%	0.206	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-42.8	170.9	0	0	0	0	0	113.9	H208 L212 R213 S214 F441	H208-G210 PolarHBondContact ND1-N 3.3Å; H208-G210 VanDerWaalsContact ND1-N 3.14Å; H208-G210 PolarHBondContact O-N 3.42Å; G210-L212 VanDerWaalsContact C-N 3.33Å; G210-R213 PolarHBondContact O-N 2.68Å; G210-S214 PolarHBondContact O-N 3.45Å; G210-F441 WeakPolarHBondContact O-CE2 3.42Å; G210-F441 WeakPolarHBondContact O-CZ 3.49Å
211	H	93.9	Very high	93.1	Very high	28 Å²	28	16.5 Å²	16.5	13%	0.13	9%	0.085	C	C	.	.	H	α-helix	trans	-67.7	-37.3	173.7	-57.7	106.3	0	0	0	110.3	M207 H208 R213 S214 T215	M207-H211 HydrophobicContact CE-CB 3.73Å; M207-H211 HydrophobicContact CG-CB 3.64Å; H208-H211 AromaticContact CD2-CE1 3.47Å; H208-H211 PolarHBondContact CD2-CE1 2.82Å; H208-H211 VanDerWaalsContact CD2-CE1 3.47Å; H208-H211 AromaticContact CD2-ND1 3.49Å; H208-H211 PolarHBondContact CD2-ND1 2.83Å; H208-H211 AromaticContact CE1-CE1 3.25Å; H208-H211 PolarHBondContact CE1-CE1 2.96Å; H208-H211 AromaticContact CE1-CG 3.89Å; H208-H211 AromaticContact CE1-ND1 3.12Å; H208-H211 PolarHBondContact CE1-ND1 2.84Å; H208-H211 AromaticContact CG-CE1 3.86Å; H208-H211 AromaticContact CG-ND1 3.38Å; H208-H211 PolarHBondContact N-ND1 3.39Å; H208-H211 AromaticContact ND1-CE1 3.73Å; H208-H211 AromaticContact ND1-CG 3.94Å; H208-H211 PolarHBondContact ND1-N 2.87Å; H208-H211 AromaticContact ND1-ND1 3.14Å; H208-H211 PolarHBondContact ND1-ND1 2.83Å; H208-H211 VanDerWaalsContact ND1-ND1 3.14Å; H208-H211 AromaticContact NE2-CE1 3.09Å; H208-H211 PolarHBondContact NE2-CE1 3.31Å; H208-H211 AromaticContact NE2-ND1 3.36Å; H208-H211 PolarHBondContact NE2-ND1 3.07Å; H208-H211 WeakPolarHBondContact O-CA 3.45Å; H208-H211 WeakPolarHBondContact O-CB 3.34Å; H208-H211 PolarHBondContact O-N 2.79Å; H211-R213 VanDerWaalsContact C-N 3.34Å; H211-R213 PolarHBondContact O-N 3.39Å; H211-S214 WeakPolarHBondContact O-CB 3.43Å; H211-S214 PolarHBondContact O-N 2.98Å; H211-T215 PolarHBondContact O-N 2.92Å; H211-T215 PolarHBondContact O-OG1 3.11Å
212	L	94.4	Very high	93.3	Very high	13 Å²	13	16.5 Å²	16.5	7%	0.068	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-42.9	175.2	-179.6	66.2	0	0	0	112.4	H208 V209 G210 S214 T215 I216 L326 L462 I503	H208-L212 PolarHBondContact O-N 2.76Å; H208-L212 VanDerWaalsContact O-N 3.09Å; V209-L212 WeakPolarHBondContact O-CB 3.34Å; V209-L212 PolarHBondContact O-N 3.16Å; G210-L212 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.36Å; L212-T215 WeakPolarHBondContact O-CB 3.14Å; L212-T215 PolarHBondContact O-N 2.82Å; L212-I216 HydrophobicContact CD1-CD1 3.84Å; L212-I216 HydrophobicContact CD1-CG1 4.14Å; L212-I216 HydrophobicContact CD2-CD1 4.35Å; L212-I216 HydrophobicContact CG-CD1 3.77Å; L212-I216 HydrophobicContact CG-CG1 4.42Å; L212-I216 WeakPolarHBondContact O-CG1 3.17Å; L212-I216 PolarHBondContact O-N 3.43Å; L212-L326 HydrophobicContact CD1-CD1 3.49Å; L212-L326 VanDerWaalsContact CD1-CD1 3.49Å; L212-L462 HydrophobicContact CB-CD1 3.98Å; L212-L462 HydrophobicContact CB-CD2 3.96Å; L212-L462 HydrophobicContact CD1-CD1 4.49Å; L212-L462 HydrophobicContact CD2-CD2 3.94Å; L212-L462 HydrophobicContact CG-CD2 4.46Å; L212-I503 HydrophobicContact CD2-CG2 4.25Å
213	R	96.6	Very high	93.6	Very high	3 Å²	3	16.2 Å²	16.2	1%	0.011	8%	0.081	C	C	.	.	H	α-helix	trans	-57.5	-49.8	175.1	-64.8	-156.7	73.3	-174.9	3.1	111	V209 G210 H211 T215 I216 I217 F441 G442 V444 D507 R512 N514	V209-R213 PolarHBondContact O-N 3.22Å; G210-R213 PolarHBondContact O-N 2.68Å; H211-R213 VanDerWaalsContact C-N 3.34Å; H211-R213 PolarHBondContact O-N 3.39Å; R213-T215 VanDerWaalsContact C-N 3.3Å; R213-T215 PolarHBondContact O-N 3.22Å; R213-I216 PolarHBondContact O-N 2.89Å; R213-I217 HydrophobicContact CB-CD1 4.36Å; R213-I217 WeakPolarHBondContact O-CB 3.37Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.47Å; R213-I217 PolarHBondContact O-N 3.33Å; R213-F441 HydrophobicContact CB-CD2 3.92Å; R213-F441 HydrophobicContact CB-CE2 3.85Å; R213-F441 HydrophobicContact CB-CG 4.42Å; R213-F441 HydrophobicContact CB-CZ 4.29Å; R213-F441 HydrophobicContact CG-CD2 4.49Å; R213-G442 PolarHBondContact NH1-O 3.21Å; R213-V444 HydrophobicContact CG-CG2 3.67Å; R213-D507 WeakPolarHBondContact CA-OD2 3.34Å; R213-D507 WeakPolarHBondContact CB-OD2 3.5Å; R213-D507 VanDerWaalsContact CG-OD2 3.22Å; R213-D507 WeakPolarHBondContact CG-OD2 3.34Å; R213-D507 IonicContact CZ-OD1 3.92Å; R213-D507 IonicContact NE-OD1 2.72Å; R213-D507 PolarHBondContact NE-OD1 2.53Å; R213-D507 IonicContact NE-OD2 3.65Å; R213-D507 PolarHBondContact NE-OD2 3.32Å; R213-D507 IonicContact NH2-OD1 2.87Å; R213-D507 PolarHBondContact NH2-OD1 3.45Å; R213-R512 PolarHBondContact NH1-O 3.43Å; R213-N514 PolarHBondContact NH1-O 3.19Å
214	S	98.3	Very high	94.1	Very high	7 Å²	7	16.2 Å²	16.2	5%	0.049	8%	0.081	C	C	.	.	H	α-helix	trans	-56.8	-44.7	175.5	178.2	0	0	0	0	111.5	F198 S199 G210 H211 L212 I216 G218 V407	F198-S214 WeakPolarHBondContact CA-OG 3.43Å; S199-S214 PolarHBondContact N-OG 2.93Å; G210-S214 PolarHBondContact O-N 3.45Å; H211-S214 WeakPolarHBondContact O-CB 3.43Å; H211-S214 PolarHBondContact O-N 2.98Å; L212-S214 PolarHBondContact O-N 3.36Å; S214-I216 PolarHBondContact O-N 3.42Å; S214-G218 WeakPolarHBondContact O-CA 3.29Å; S214-G218 PolarHBondContact O-N 3.35Å; S214-V407 WeakPolarHBondContact CB-O 3.2Å; S214-V407 PolarHBondContact OG-O 2.87Å
215	T	98.4	Very high	94.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.4	-50.1	177.4	-52.7	0	0	0	0	112.5	F198 S199 M207 H211 L212 R213 E219 Y323 L326 V328	F198-T215 WeakPolarHBondContact CE2-O 3.34Å; S199-T215 WeakPolarHBondContact CB-OG1 3.42Å; S199-T215 PolarHBondContact OG-OG1 3.01Å; S199-T215 VanDerWaalsContact OG-OG1 3.04Å; M207-T215 WeakPolarHBondContact CE-OG1 3.47Å; H211-T215 PolarHBondContact O-N 2.92Å; H211-T215 PolarHBondContact O-OG1 3.11Å; L212-T215 WeakPolarHBondContact O-CB 3.14Å; L212-T215 PolarHBondContact O-N 2.82Å; R213-T215 VanDerWaalsContact C-N 3.3Å; R213-T215 PolarHBondContact O-N 3.22Å; T215-E219 VanDerWaalsContact O-CB 3.28Å; T215-E219 WeakPolarHBondContact O-CB 3.46Å; T215-E219 PolarHBondContact O-N 3.26Å; T215-E219 VanDerWaalsContact O-N 3.08Å; T215-Y323 HydrophobicContact CG2-CD1 4.28Å; T215-Y323 HydrophobicContact CG2-CE1 4.16Å; T215-L326 HydrophobicContact CG2-CD1 4.3Å; T215-V328 HydrophobicContact CG2-CG1 4.23Å; T215-V328 HydrophobicContact CG2-CG2 3.84Å
216	I	98.3	Very high	95.4	Very high	7 Å²	7	15.7 Å²	15.7	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-71.2	-48.2	-176.2	-64.7	167.6	0	0	0	111.1	L212 R213 S214 S220 I503 K504 L508	L212-I216 HydrophobicContact CD1-CD1 3.84Å; L212-I216 HydrophobicContact CD1-CG1 4.14Å; L212-I216 HydrophobicContact CD2-CD1 4.35Å; L212-I216 HydrophobicContact CG-CD1 3.77Å; L212-I216 HydrophobicContact CG-CG1 4.42Å; L212-I216 WeakPolarHBondContact O-CG1 3.17Å; L212-I216 PolarHBondContact O-N 3.43Å; R213-I216 PolarHBondContact O-N 2.89Å; S214-I216 PolarHBondContact O-N 3.42Å; I216-S220 WeakPolarHBondContact O-CB 3.46Å; I216-S220 PolarHBondContact O-N 3.01Å; I216-S220 VanDerWaalsContact O-N 3.09Å; I216-I503 HydrophobicContact CD1-CG2 4.16Å; I216-K504 HydrophobicContact CD1-CG 4.14Å; I216-K504 HydrophobicContact CG1-CG 4.1Å; I216-K504 HydrophobicContact CG2-CB 3.92Å; I216-K504 HydrophobicContact CG2-CG 3.89Å; I216-L508 HydrophobicContact CG2-CD1 4Å; I216-L508 HydrophobicContact CG2-CD2 4.12Å; I216-L508 HydrophobicContact CG2-CG 3.91Å
217	I	98.8	Very high	96	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-63.8	-47.2	-179.3	-66.2	166.7	0	0	0	110	R213 S220 I221 V407 F441 L508 R512 L594	R213-I217 HydrophobicContact CB-CD1 4.36Å; R213-I217 WeakPolarHBondContact O-CB 3.37Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.47Å; R213-I217 PolarHBondContact O-N 3.33Å; I217-S220 PolarHBondContact O-N 3.15Å; I217-I221 HydrophobicContact CG2-CD1 3.84Å; I217-I221 HydrophobicContact CG2-CG1 4.46Å; I217-I221 WeakPolarHBondContact O-CG1 3.5Å; I217-I221 PolarHBondContact O-N 2.82Å; I217-V407 HydrophobicContact CB-CG1 4.1Å; I217-V407 HydrophobicContact CG2-CG1 3.84Å; I217-F441 HydrophobicContact CD1-CB 4.02Å; I217-F441 HydrophobicContact CD1-CD1 4.26Å; I217-F441 HydrophobicContact CD1-CG 4.23Å; I217-L508 HydrophobicContact CG1-CD2 3.85Å; I217-R512 HydrophobicContact CD1-CB 4.1Å; I217-L594 HydrophobicContact CG2-CD1 4.4Å
218	G	98.7	Very high	96.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-39.9	-177.8	0	0	0	0	0	113.4	S214 I221 S222	S214-G218 WeakPolarHBondContact O-CA 3.29Å; S214-G218 PolarHBondContact O-N 3.35Å; G218-I221 PolarHBondContact O-N 3.24Å; G218-S222 WeakPolarHBondContact O-CB 3.36Å; G218-S222 PolarHBondContact O-N 3.32Å; G218-S222 PolarHBondContact O-OG 3.21Å
219	E	98.6	Very high	96.6	Very high	5 Å²	5	13.8 Å²	13.8	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-65	-42.3	174.4	178	54.9	-156	0	0	111.3	F198 T215 S222 R223 R234 V328	F198-E219 HydrophobicContact CE2-CB 3.88Å; F198-E219 HydrophobicContact CZ-CB 4.1Å; T215-E219 VanDerWaalsContact O-CB 3.28Å; T215-E219 WeakPolarHBondContact O-CB 3.46Å; T215-E219 PolarHBondContact O-N 3.26Å; T215-E219 VanDerWaalsContact O-N 3.08Å; E219-S222 WeakPolarHBondContact O-CB 3.36Å; E219-S222 PolarHBondContact O-N 3.28Å; E219-S222 VanDerWaalsContact O-N 3.16Å; E219-R223 WeakPolarHBondContact O-CG 3.15Å; E219-R223 PolarHBondContact O-N 2.87Å; E219-R223 WeakPolarHBondContact OE1-CG 3.4Å; E219-R223 IonicContact OE1-CZ 3.44Å; E219-R223 IonicContact OE1-NE 3.02Å; E219-R223 PolarHBondContact OE1-NE 2.92Å; E219-R223 IonicContact OE1-NH2 2.78Å; E219-R234 IonicContact OE1-CZ 3.17Å; E219-R234 IonicContact OE1-NE 2.64Å; E219-R234 PolarHBondContact OE1-NE 3.2Å; E219-R234 IonicContact OE1-NH2 2.82Å; E219-R234 PolarHBondContact OE1-NH2 2.99Å; E219-R234 VanDerWaalsContact OE1-NH2 3.14Å; E219-R234 WeakPolarHBondContact OE2-CD 3.2Å; E219-R234 IonicContact OE2-CZ 2.68Å; E219-R234 IonicContact OE2-NE 3.21Å; E219-R234 PolarHBondContact OE2-NE 3.13Å; E219-R234 IonicContact OE2-NH2 2.83Å; E219-V328 HydrophobicContact CB-CG2 4.31Å; E219-V328 HydrophobicContact CG-CG2 4.21Å
220	S	98.8	Very high	96.9	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-66.4	-39.6	178.8	-176.5	0	0	0	0	112.7	I216 I217 S222 R223 L224 L594 I651	I216-S220 WeakPolarHBondContact O-CB 3.46Å; I216-S220 PolarHBondContact O-N 3.01Å; I216-S220 VanDerWaalsContact O-N 3.09Å; I217-S220 PolarHBondContact O-N 3.15Å; S220-S222 VanDerWaalsContact C-N 3.32Å; S220-R223 PolarHBondContact O-N 3.42Å; S220-L224 WeakPolarHBondContact O-CB 3.25Å; S220-L224 PolarHBondContact O-N 3.26Å; S220-L594 WeakPolarHBondContact OG-CD1 3.14Å; S220-I651 VanDerWaalsContact CA-O 3.3Å; S220-I651 WeakPolarHBondContact CA-O 3.47Å; S220-I651 WeakPolarHBondContact CB-O 3.37Å; S220-I651 PolarHBondContact OG-O 2.86Å
221	I	98.8	Very high	97.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-44.5	170.4	-70.4	173	0	0	0	110	V196 I217 G218 R223 L224 F225 I405 V407 A439 L592 L594	V196-I221 HydrophobicContact CG1-CG2 4.49Å; V196-I221 HydrophobicContact CG2-CG2 4.37Å; I217-I221 HydrophobicContact CG2-CD1 3.84Å; I217-I221 HydrophobicContact CG2-CG1 4.46Å; I217-I221 WeakPolarHBondContact O-CG1 3.5Å; I217-I221 PolarHBondContact O-N 2.82Å; G218-I221 PolarHBondContact O-N 3.24Å; I221-R223 PolarHBondContact O-N 3.46Å; I221-L224 WeakPolarHBondContact O-CB 3.4Å; I221-L224 PolarHBondContact O-N 3.2Å; I221-F225 HydrophobicContact CG2-CD2 3.85Å; I221-F225 HydrophobicContact CG2-CE2 3.91Å; I221-F225 WeakPolarHBondContact O-CD2 3.38Å; I221-F225 PolarHBondContact O-N 3.18Å; I221-F225 VanDerWaalsContact O-N 3.1Å; I221-I405 HydrophobicContact CG2-CD1 3.73Å; I221-V407 HydrophobicContact CD1-CG2 4.38Å; I221-A439 HydrophobicContact CD1-CB 4.43Å; I221-L592 HydrophobicContact CG2-CD2 4.5Å; I221-L594 HydrophobicContact CG1-CD1 3.97Å; I221-L594 HydrophobicContact CG1-CG 4.46Å
222	S	98.8	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.6	-49.9	179.8	-58.9	0	0	0	0	111.3	G218 E219 S220 L224 F225 E226	G218-S222 WeakPolarHBondContact O-CB 3.36Å; G218-S222 PolarHBondContact O-N 3.32Å; G218-S222 PolarHBondContact O-OG 3.21Å; E219-S222 WeakPolarHBondContact O-CB 3.36Å; E219-S222 PolarHBondContact O-N 3.28Å; E219-S222 VanDerWaalsContact O-N 3.16Å; S220-S222 VanDerWaalsContact C-N 3.32Å; S222-L224 VanDerWaalsContact C-N 3.31Å; S222-L224 PolarHBondContact O-N 2.99Å; S222-F225 PolarHBondContact O-N 2.89Å; S222-E226 WeakPolarHBondContact O-CG 3.47Å; S222-E226 PolarHBondContact O-N 3.14Å
223	R	98.6	Very high	97.6	Very high	33 Å²	33	18.2 Å²	18.2	13%	0.125	10%	0.097	C	C	.	.	H	α-helix	trans	-61.3	-36.1	176.7	-67.1	-176	-175.7	-141.9	2.2	113.1	E219 S220 I221 E226 F227 D327 D650	E219-R223 WeakPolarHBondContact O-CG 3.15Å; E219-R223 PolarHBondContact O-N 2.87Å; E219-R223 WeakPolarHBondContact OE1-CG 3.4Å; E219-R223 IonicContact OE1-CZ 3.44Å; E219-R223 IonicContact OE1-NE 3.02Å; E219-R223 PolarHBondContact OE1-NE 2.92Å; E219-R223 IonicContact OE1-NH2 2.78Å; S220-R223 PolarHBondContact O-N 3.42Å; I221-R223 PolarHBondContact O-N 3.46Å; R223-E226 PolarHBondContact O-N 3.12Å; R223-F227 WeakPolarHBondContact O-CB 3.26Å; R223-F227 PolarHBondContact O-N 3.3Å; R223-D327 IonicContact CZ-OD2 3.18Å; R223-D327 IonicContact NH1-OD2 2.66Å; R223-D327 PolarHBondContact NH2-O 2.91Å; R223-D327 IonicContact NH2-OD2 3.97Å; R223-D327 PolarHBondContact NH2-OD2 3.27Å; R223-D650 WeakPolarHBondContact CD-O 3.43Å; R223-D650 PolarHBondContact NH1-O 2.7Å; R223-D650 IonicContact NH1-OD1 2.84Å; R223-D650 PolarHBondContact NH1-OD1 2.92Å
224	L	98.1	Very high	97.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.4	-48.1	175.5	173.8	63.9	0	0	0	111.7	S220 I221 S222 F227 A228 L585 I588 L589 I651	S220-L224 WeakPolarHBondContact O-CB 3.25Å; S220-L224 PolarHBondContact O-N 3.26Å; I221-L224 WeakPolarHBondContact O-CB 3.4Å; I221-L224 PolarHBondContact O-N 3.2Å; S222-L224 VanDerWaalsContact C-N 3.31Å; S222-L224 PolarHBondContact O-N 2.99Å; L224-F227 PolarHBondContact O-N 3.16Å; L224-A228 PolarHBondContact O-N 3.46Å; L224-L585 HydrophobicContact CD1-CB 4.27Å; L224-L585 HydrophobicContact CD1-CD2 3.86Å; L224-L585 HydrophobicContact CD1-CG 4.42Å; L224-I588 HydrophobicContact CD2-CB 4.06Å; L224-I588 HydrophobicContact CD2-CG2 3.47Å; L224-I588 VanDerWaalsContact CD2-CG2 3.47Å; L224-L589 HydrophobicContact CD1-CD2 4.46Å; L224-L589 HydrophobicContact CD2-CD2 4.07Å; L224-L589 HydrophobicContact CD2-CG 4.37Å; L224-L589 HydrophobicContact CG-CD2 3.86Å; L224-L589 HydrophobicContact CG-CG 4.39Å; L224-I651 HydrophobicContact CB-CG2 3.99Å; L224-I651 HydrophobicContact CD1-CD1 4.47Å; L224-I651 HydrophobicContact CD1-CG2 4.34Å
225	F	97.8	Very high	97.8	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-37.2	179.4	-84.1	-88.2	0	0	0	111.9	V194 I221 S222 F227 A228 G229 Y230 V232 M403 I405 L589 L592	V194-F225 HydrophobicContact CB-CD1 4.42Å; V194-F225 HydrophobicContact CG1-CD1 4.27Å; V194-F225 HydrophobicContact CG1-CG 4.29Å; V194-F225 HydrophobicContact CG2-CD1 3.77Å; V194-F225 HydrophobicContact CG2-CE1 4.19Å; V194-F225 HydrophobicContact CG2-CG 4.42Å; I221-F225 HydrophobicContact CG2-CD2 3.85Å; I221-F225 HydrophobicContact CG2-CE2 3.91Å; I221-F225 WeakPolarHBondContact O-CD2 3.38Å; I221-F225 PolarHBondContact O-N 3.18Å; I221-F225 VanDerWaalsContact O-N 3.1Å; S222-F225 PolarHBondContact O-N 2.89Å; F225-F227 VanDerWaalsContact C-N 3.35Å; F225-F227 PolarHBondContact O-N 2.77Å; F225-A228 CarbonylContact O-C 3.42Å; F225-A228 PolarHBondContact O-N 3.28Å; F225-G229 PolarHBondContact O-N 2.9Å; F225-Y230 HydrophobicContact CB-CD2 4.37Å; F225-Y230 HydrophobicContact CB-CG 4.49Å; F225-Y230 HydrophobicContact CD1-CD1 4.22Å; F225-Y230 AromaticContact CD1-CD2 3.6Å; F225-Y230 HydrophobicContact CD1-CD2 3.6Å; F225-Y230 HydrophobicContact CD1-CE1 4.42Å; F225-Y230 AromaticContact CD1-CE2 3.84Å; F225-Y230 HydrophobicContact CD1-CE2 3.84Å; F225-Y230 AromaticContact CD1-CG 3.8Å; F225-Y230 HydrophobicContact CD1-CG 3.8Å; F225-Y230 HydrophobicContact CE1-CD2 4.42Å; F225-Y230 HydrophobicContact CE1-CE2 4.23Å; F225-Y230 HydrophobicContact CG-CD2 4.44Å; F225-Y230 WeakPolarHBondContact O-CB 3.45Å; F225-Y230 WeakPolarHBondContact O-CD2 3.39Å; F225-Y230 PolarHBondContact O-N 3.26Å; F225-V232 HydrophobicContact CB-CG2 3.59Å; F225-M403 HydrophobicContact CE1-CE 4.28Å; F225-M403 HydrophobicContact CE1-SD 3.96Å; F225-M403 HydrophobicContact CZ-CE 4.45Å; F225-M403 HydrophobicContact CZ-SD 3.75Å; F225-I405 HydrophobicContact CD2-CD1 4.23Å; F225-I405 HydrophobicContact CE2-CD1 3.56Å; F225-I405 HydrophobicContact CZ-CD1 3.96Å; F225-L589 HydrophobicContact CD1-CD2 3.91Å; F225-L589 HydrophobicContact CD2-CD2 4.22Å; F225-L589 HydrophobicContact CE1-CD2 3.78Å; F225-L589 HydrophobicContact CE2-CD2 4.08Å; F225-L589 HydrophobicContact CG-CD2 4.14Å; F225-L589 HydrophobicContact CZ-CD2 3.86Å; F225-L592 HydrophobicContact CE2-CD2 3.66Å; F225-L592 HydrophobicContact CZ-CD2 4Å
226	E	96.8	Very high	97.7	Very high	75 Å²	75	19.5 Å²	19.5	35%	0.35	10%	0.101	S	C	.	.	H	α-helix	trans	-59.5	-45.6	171.2	-70.7	175.9	151.2	0	0	111.2	S222 R223 A228 G229 V232 R234	S222-E226 WeakPolarHBondContact O-CG 3.47Å; S222-E226 PolarHBondContact O-N 3.14Å; R223-E226 PolarHBondContact O-N 3.12Å; E226-A228 PolarHBondContact O-N 3.46Å; E226-G229 PolarHBondContact O-N 3.06Å; E226-V232 HydrophobicContact CB-CG2 4.48Å; E226-V232 HydrophobicContact CG-CB 3.74Å; E226-V232 HydrophobicContact CG-CG2 3.64Å; E226-R234 IonicContact OE1-CZ 2.82Å; E226-R234 IonicContact OE1-NH1 3.66Å; E226-R234 PolarHBondContact OE1-NH1 3.26Å; E226-R234 IonicContact OE1-NH2 2.83Å; E226-R234 PolarHBondContact OE1-NH2 3.44Å; E226-R234 VanDerWaalsContact OE1-NH2 3.11Å; E226-R234 IonicContact OE2-CZ 2.79Å; E226-R234 IonicContact OE2-NH1 3.89Å; E226-R234 IonicContact OE2-NH2 3.91Å; E226-R234 PolarHBondContact OE2-NH2 2.96Å
227	F	95.9	Very high	97.7	Very high	41 Å²	41	20 Å²	20	18%	0.18	10%	0.103	C	C	.	.	H	α-helix	trans	-64.5	-28.9	177.5	-175.7	-114.5	0	0	0	113	V183 L185 R223 L224 F225 G229 F581 L585 K647 I651	V183-F227 HydrophobicContact CG1-CZ 4.46Å; L185-F227 HydrophobicContact CB-CE1 4.47Å; L185-F227 HydrophobicContact CD1-CD1 3.66Å; L185-F227 HydrophobicContact CD1-CE1 3.7Å; L185-F227 HydrophobicContact CG-CD1 4.04Å; L185-F227 HydrophobicContact CG-CE1 3.57Å; L185-F227 HydrophobicContact CG-CZ 4.26Å; R223-F227 WeakPolarHBondContact O-CB 3.26Å; R223-F227 PolarHBondContact O-N 3.3Å; L224-F227 PolarHBondContact O-N 3.16Å; F225-F227 VanDerWaalsContact C-N 3.35Å; F225-F227 PolarHBondContact O-N 2.77Å; F227-G229 VanDerWaalsContact C-N 3.27Å; F227-F581 HydrophobicContact CE1-CE1 4.01Å; F227-F581 HydrophobicContact CE1-CZ 4.49Å; F227-F581 HydrophobicContact CZ-CE1 4.31Å; F227-L585 HydrophobicContact CD1-CD1 3.88Å; F227-L585 HydrophobicContact CE1-CD1 3.66Å; F227-K647 HydrophobicContact CE2-CD 4.29Å; F227-I651 HydrophobicContact CD1-CD1 3.75Å; F227-I651 HydrophobicContact CD1-CG1 4.49Å; F227-I651 HydrophobicContact CE1-CD1 4.21Å; F227-I651 HydrophobicContact CG-CD1 4.29Å
228	A	94.3	Very high	97.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.008	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.5	173.8	0	0	0	0	0	114	L185 V188 G189 L224 F225 E226 Y230 L589	L185-A228 HydrophobicContact CD1-CB 4.4Å; V188-A228 PolarHBondContact N-O 3.22Å; G189-A228 PolarHBondContact N-O 3.4Å; L224-A228 PolarHBondContact O-N 3.46Å; F225-A228 CarbonylContact O-C 3.42Å; F225-A228 PolarHBondContact O-N 3.28Å; E226-A228 PolarHBondContact O-N 3.46Å; A228-Y230 HydrophobicContact CB-CD2 3.91Å; A228-Y230 HydrophobicContact CB-CE2 3.98Å; A228-L589 HydrophobicContact CB-CD1 3.92Å; A228-L589 HydrophobicContact CB-CD2 4.14Å
229	G	94.3	Very high	97.3	Very high	35 Å²	35	20 Å²	20	36%	0.361	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	19.4	174.5	0	0	0	0	0	115.6	G189 F225 E226 F227	G189-G229 CarbonylContact C-O 3.47Å; F225-G229 PolarHBondContact O-N 2.9Å; E226-G229 PolarHBondContact O-N 3.06Å; F227-G229 VanDerWaalsContact C-N 3.27Å
230	Y	96.4	Very high	97	Very high	37 Å²	37	19.8 Å²	19.8	15%	0.145	10%	0.103	C	C	.	.			trans	-83.1	153	172.8	-68.7	-99.4	0	0	0	111.6	K192 V194 F225 A228 V232	K192-Y230 HydrophobicContact CB-CD1 3.55Å; K192-Y230 HydrophobicContact CB-CE1 3.69Å; K192-Y230 HydrophobicContact CD-CE1 3.88Å; K192-Y230 HydrophobicContact CG-CE1 4.42Å; V194-Y230 HydrophobicContact CG2-CD1 3.41Å; V194-Y230 VanDerWaalsContact CG2-CD1 3.41Å; V194-Y230 HydrophobicContact CG2-CE1 4.12Å; V194-Y230 HydrophobicContact CG2-CG 3.86Å; F225-Y230 HydrophobicContact CB-CD2 4.37Å; F225-Y230 HydrophobicContact CB-CG 4.49Å; F225-Y230 HydrophobicContact CD1-CD1 4.22Å; F225-Y230 AromaticContact CD1-CD2 3.6Å; F225-Y230 HydrophobicContact CD1-CD2 3.6Å; F225-Y230 HydrophobicContact CD1-CE1 4.42Å; F225-Y230 AromaticContact CD1-CE2 3.84Å; F225-Y230 HydrophobicContact CD1-CE2 3.84Å; F225-Y230 AromaticContact CD1-CG 3.8Å; F225-Y230 HydrophobicContact CD1-CG 3.8Å; F225-Y230 HydrophobicContact CE1-CD2 4.42Å; F225-Y230 HydrophobicContact CE1-CE2 4.23Å; F225-Y230 HydrophobicContact CG-CD2 4.44Å; F225-Y230 WeakPolarHBondContact O-CB 3.45Å; F225-Y230 WeakPolarHBondContact O-CD2 3.39Å; F225-Y230 PolarHBondContact O-N 3.26Å; A228-Y230 HydrophobicContact CB-CD2 3.91Å; A228-Y230 HydrophobicContact CB-CE2 3.98Å; Y230-V232 PolarHBondContact O-N 3.24Å
231	D	97.2	Very high	96.5	Very high	96 Å²	96	21.2 Å²	21.2	51%	0.513	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	106.8	166.9	177.3	26.6	0	0	0	109.2	K192 K193 V194	K192-D231 PolarHBondContact O-N 3.04Å; K193-D231 CarbonylContact C-O 3.57Å; K193-D231 WeakPolarHBondContact CA-O 3.45Å; K193-D231 HydrophobicContact CG-CB 4.47Å; V194-D231 PolarHBondContact N-O 3.45Å
232	V	98.3	Very high	95.8	Very high	17 Å²	17	21.8 Å²	21.8	10%	0.103	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.5	-172.6	-176.3	0	0	0	0	111.4	V194 V196 F225 E226 Y230 R234	V194-V232 HydrophobicContact CB-CG2 4.49Å; V194-V232 CarbonylContact O-C 3.58Å; V194-V232 WeakPolarHBondContact O-CA 3.34Å; V196-V232 HydrophobicContact CG2-CG1 4.14Å; F225-V232 HydrophobicContact CB-CG2 3.59Å; E226-V232 HydrophobicContact CB-CG2 4.48Å; E226-V232 HydrophobicContact CG-CB 3.74Å; E226-V232 HydrophobicContact CG-CG2 3.64Å; Y230-V232 PolarHBondContact O-N 3.24Å; V232-R234 HydrophobicContact CG1-CG 4.32Å
233	L	98.6	Very high	95	Very high	20 Å²	20	26 Å²	26	11%	0.105	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.1	171	177.3	62.4	0	0	0	110	V194 I195 V196 L235 I331 E399	V194-L233 PolarHBondContact O-N 3.26Å; I195-L233 WeakPolarHBondContact CA-O 3.44Å; I195-L233 HydrophobicContact CD1-CD2 4.24Å; I195-L233 HydrophobicContact CG1-CB 4.21Å; I195-L233 HydrophobicContact CG1-CD2 4.34Å; V196-L233 PolarHBondContact N-O 3.49Å; L233-L235 HydrophobicContact CD1-CD2 4.15Å; L233-L235 HydrophobicContact CD2-CD2 4.04Å; L233-L235 HydrophobicContact CD2-CG 4.41Å; L233-L235 HydrophobicContact CG-CD2 3.86Å; L233-L235 HydrophobicContact CG-CG 4.15Å; L233-I331 HydrophobicContact CD1-CD1 3.58Å; L233-E399 HydrophobicContact CD2-CG 4.35Å
234	R	98.8	Very high	94.5	Very high	33 Å²	33	25.4 Å²	25.4	13%	0.125	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.2	177.7	-60.8	-177.5	175.9	87.1	-4.2	110.7	F198 E219 E226 V232 S329 L330 I331	F198-R234 HydrophobicContact CE1-CB 3.82Å; F198-R234 HydrophobicContact CE1-CG 4.05Å; F198-R234 HydrophobicContact CZ-CB 4.37Å; F198-R234 HydrophobicContact CZ-CG 4.47Å; E219-R234 IonicContact OE1-CZ 3.17Å; E219-R234 IonicContact OE1-NE 2.64Å; E219-R234 PolarHBondContact OE1-NE 3.2Å; E219-R234 IonicContact OE1-NH2 2.82Å; E219-R234 PolarHBondContact OE1-NH2 2.99Å; E219-R234 VanDerWaalsContact OE1-NH2 3.14Å; E219-R234 WeakPolarHBondContact OE2-CD 3.2Å; E219-R234 IonicContact OE2-CZ 2.68Å; E219-R234 IonicContact OE2-NE 3.21Å; E219-R234 PolarHBondContact OE2-NE 3.13Å; E219-R234 IonicContact OE2-NH2 2.83Å; E226-R234 IonicContact OE1-CZ 2.82Å; E226-R234 IonicContact OE1-NH1 3.66Å; E226-R234 PolarHBondContact OE1-NH1 3.26Å; E226-R234 IonicContact OE1-NH2 2.83Å; E226-R234 PolarHBondContact OE1-NH2 3.44Å; E226-R234 VanDerWaalsContact OE1-NH2 3.11Å; E226-R234 IonicContact OE2-CZ 2.79Å; E226-R234 IonicContact OE2-NH1 3.89Å; E226-R234 IonicContact OE2-NH2 3.91Å; E226-R234 PolarHBondContact OE2-NH2 2.96Å; V232-R234 HydrophobicContact CG1-CG 4.32Å; R234-S329 WeakPolarHBondContact CD-O 3.24Å; R234-L330 HydrophobicContact CB-CD2 4.24Å; R234-I331 WeakPolarHBondContact O-CB 3.44Å; R234-I331 PolarHBondContact O-N 2.91Å
235	L	98.7	Very high	94.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.5	-178.8	-65.6	-175.7	0	0	0	111.9	I195 V196 F198 L233 R333 R395	I195-L235 HydrophobicContact CG2-CD1 3.46Å; I195-L235 VanDerWaalsContact CG2-CD1 3.46Å; I195-L235 HydrophobicContact CG2-CG 3.84Å; V196-L235 PolarHBondContact O-N 3.37Å; F198-L235 PolarHBondContact N-O 3.15Å; L233-L235 HydrophobicContact CD1-CD2 4.15Å; L233-L235 HydrophobicContact CD2-CD2 4.04Å; L233-L235 HydrophobicContact CD2-CG 4.41Å; L233-L235 HydrophobicContact CG-CD2 3.86Å; L233-L235 HydrophobicContact CG-CG 4.15Å; L235-R333 HydrophobicContact CD2-CB 4.2Å; L235-R395 HydrophobicContact CD1-CG 4.35Å
236	N	98.2	Very high	93.9	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	99.4	166.8	-165.7	3	0	0	0	108.8	S200 P201 V238 Y323 L330 I331 R333	S200-N236 VanDerWaalsContact CA-OD1 3.29Å; S200-N236 WeakPolarHBondContact CA-OD1 3.41Å; S200-N236 PolarHBondContact N-OD1 3.15Å; P201-N236 WeakPolarHBondContact CD-OD1 3.25Å; N236-V238 HydrophobicContact CB-CG1 4.4Å; N236-V238 PolarHBondContact O-N 3.03Å; N236-V238 WeakPolarHBondContact OD1-CG1 3.41Å; N236-Y323 PolarHBondContact ND2-OH 3.27Å; N236-Y323 VanDerWaalsContact ND2-OH 3.13Å; N236-L330 HydrophobicContact CB-CB 4.16Å; N236-L330 HydrophobicContact CB-CD1 4.16Å; N236-L330 HydrophobicContact CB-CD2 4.03Å; N236-L330 HydrophobicContact CB-CG 4.34Å; N236-I331 PolarHBondContact N-O 3.34Å; N236-R333 CarbonylContact O-C 3.58Å; N236-R333 PolarHBondContact O-N 3.26Å
237	H	97.6	Very high	93.8	Very high	16 Å²	16	22.4 Å²	22.4	7%	0.074	13%	0.125	C	C	.	.			trans	-84.3	63.7	-177.8	-163.7	53.6	0	0	0	111	D197 S200 R333 Y338 D388	D197-H237 VanDerWaalsContact OD1-CB 3.31Å; D197-H237 WeakPolarHBondContact OD1-CB 3.46Å; D197-H237 WeakPolarHBondContact OD2-CB 3.35Å; D197-H237 IonicContact OD2-CG 3.04Å; S200-H237 VanDerWaalsContact CB-O 3.3Å; S200-H237 WeakPolarHBondContact CB-O 3.22Å; S200-H237 WeakPolarHBondContact OG-CA 3.16Å; S200-H237 WeakPolarHBondContact OG-CB 3.35Å; S200-H237 PolarHBondContact OG-N 3.31Å; H237-R333 PolarHBondContact ND1-O 2.86Å; H237-R333 VanDerWaalsContact ND1-O 3.08Å; H237-Y338 AromaticContact CE1-CD2 3.91Å; H237-Y338 AromaticContact CE1-CE2 3.44Å; H237-Y338 VanDerWaalsContact CE1-CE2 3.44Å; H237-Y338 WeakPolarHBondContact CE1-CE2 3.44Å; H237-Y338 AromaticContact ND1-CE2 3.72Å; H237-D388 IonicContact CD2-OD1 3.8Å; H237-D388 IonicContact NE2-OD1 2.96Å
238	V	95.8	Very high	93.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.			trans	-62	141	-175	-63.9	0	0	0	0	112.5	P201 I203 N236 D240 E332 G334 E335	P201-V238 HydrophobicContact CG-CG1 4.41Å; P201-V238 WeakPolarHBondContact O-CA 3.41Å; I203-V238 HydrophobicContact CG1-CB 4.36Å; N236-V238 HydrophobicContact CB-CG1 4.4Å; N236-V238 PolarHBondContact O-N 3.03Å; N236-V238 WeakPolarHBondContact OD1-CG1 3.41Å; V238-D240 VanDerWaalsContact C-N 3.28Å; V238-D240 HydrophobicContact CG2-CB 4.02Å; V238-D240 PolarHBondContact O-N 3.37Å; V238-E332 HydrophobicContact CG1-CG 4.19Å; V238-E332 HydrophobicContact CG2-CG 3.71Å; V238-G334 WeakPolarHBondContact O-CA 3.24Å; V238-E335 PolarHBondContact O-N 2.87Å
239	G	93.6	Very high	93.8	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.031	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-78.4	75.3	174.5	0	0	0	0	0	111.1	P201 I203	P201-G239 PolarHBondContact O-N 3.04Å; I203-G239 PolarHBondContact N-O 3.4Å; I203-G239 VanDerWaalsContact N-O 3.13Å
240	D	92.1	Very high	93.9	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.099	C	C	.	.			trans	-107.8	9.5	-174.2	71.3	-18.2	0	0	0	114.1	I203 V238 F245 W308 E335 S336	I203-D240 HydrophobicContact CG1-CB 3.8Å; V238-D240 VanDerWaalsContact C-N 3.28Å; V238-D240 HydrophobicContact CG2-CB 4.02Å; V238-D240 PolarHBondContact O-N 3.37Å; D240-F245 HydrophobicContact CB-CZ 4.37Å; D240-F245 WeakPolarHBondContact O-CE2 3.41Å; D240-W308 HydrophobicContact CB-CZ2 4.16Å; D240-W308 PolarHBondContact O-NE1 2.96Å; D240-E335 PolarHBondContact OD1-N 2.94Å; D240-S336 VanDerWaalsContact CG-OG 3.27Å; D240-S336 WeakPolarHBondContact OD1-CB 3.33Å; D240-S336 PolarHBondContact OD1-N 2.91Å; D240-S336 PolarHBondContact OD1-OG 2.9Å; D240-S336 VanDerWaalsContact OD2-CB 3.23Å; D240-S336 WeakPolarHBondContact OD2-CB 3.44Å; D240-S336 PolarHBondContact OD2-OG 3.16Å
241	W	88.4	Confident	93.9	Very high	32 Å²	32	17.6 Å²	17.6	12%	0.121	10%	0.095	C	C	.	.	S	Bend	trans	-127.7	7.6	-174.8	-152.1	-113.8	0	0	0	115.9	L297 Q298 E335 Q339	W241-L297 HydrophobicContact CH2-CD1 4.45Å; W241-L297 HydrophobicContact CH2-CG 3.98Å; W241-L297 HydrophobicContact CZ3-CD1 4.42Å; W241-L297 HydrophobicContact CZ3-CD2 4.32Å; W241-L297 HydrophobicContact CZ3-CG 4.11Å; W241-Q298 HydrophobicContact CZ2-CG 4.06Å; W241-E335 HydrophobicContact CB-CB 3.55Å; W241-Q339 HydrophobicContact CH2-CG 4.45Å; W241-Q339 HydrophobicContact CZ2-CB 4.1Å; W241-Q339 HydrophobicContact CZ2-CG 3.58Å
242	G	82.7	Confident	93.8	Very high	12 Å²	12	13 Å²	13	12%	0.124	7%	0.07	C	C	.	.	S	Bend	trans	-73.2	164.5	-177	0	0	0	0	0	115.2	Q244 F245	G242-Q244 VanDerWaalsContact C-OE1 3.24Å; G242-Q244 VanDerWaalsContact CA-OE1 3.27Å; G242-Q244 PolarHBondContact O-N 3.37Å; G242-F245 WeakPolarHBondContact O-CD2 3.45Å; G242-F245 PolarHBondContact O-N 2.85Å; G242-F245 VanDerWaalsContact O-N 3.16Å
243	T	82.9	Confident	93.6	Very high	89 Å²	89	14.9 Å²	14.9	55%	0.546	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17.8	-179.4	56.7	0	0	0	0	113.7	F245 G246	T243-F245 PolarHBondContact O-N 2.93Å; T243-G246 PolarHBondContact O-N 2.76Å
244	Q	87	Confident	93.4	Very high	20 Å²	20	17.1 Å²	17.1	9%	0.093	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-25.6	174.7	64.9	-85.5	11.5	0	0	113.4	G242 G246 M247 L248 Y273	G242-Q244 VanDerWaalsContact C-OE1 3.24Å; G242-Q244 VanDerWaalsContact CA-OE1 3.27Å; G242-Q244 PolarHBondContact O-N 3.37Å; Q244-G246 PolarHBondContact O-N 2.86Å; Q244-M247 HydrophobicContact CB-CE 4Å; Q244-M247 WeakPolarHBondContact O-CG 3.34Å; Q244-M247 PolarHBondContact O-N 3.14Å; Q244-L248 WeakPolarHBondContact O-CG 3.23Å; Q244-L248 PolarHBondContact O-N 3.07Å; Q244-Y273 HydrophobicContact CB-CE2 4.23Å
245	F	91.4	Very high	93.2	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-28.4	179.5	-79.7	-81	0	0	0	113	I203 D240 G242 T243 M247 L248 I249 L297 W308 I311	I203-F245 HydrophobicContact CB-CE2 4.44Å; I203-F245 HydrophobicContact CB-CZ 3.67Å; I203-F245 HydrophobicContact CG2-CE1 3.79Å; I203-F245 HydrophobicContact CG2-CZ 3.44Å; I203-F245 VanDerWaalsContact CG2-CZ 3.44Å; D240-F245 HydrophobicContact CB-CZ 4.37Å; D240-F245 WeakPolarHBondContact O-CE2 3.41Å; G242-F245 WeakPolarHBondContact O-CD2 3.45Å; G242-F245 PolarHBondContact O-N 2.85Å; G242-F245 VanDerWaalsContact O-N 3.16Å; T243-F245 PolarHBondContact O-N 2.93Å; F245-M247 PolarHBondContact O-N 2.96Å; F245-L248 HydrophobicContact CD1-CD1 4.3Å; F245-L248 PolarHBondContact O-N 3.34Å; F245-I249 WeakPolarHBondContact O-CB 3.46Å; F245-I249 VanDerWaalsContact O-CG1 3.24Å; F245-I249 WeakPolarHBondContact O-CG1 3.48Å; F245-I249 PolarHBondContact O-N 3.07Å; F245-L297 HydrophobicContact CB-CD2 4.1Å; F245-W308 AromaticContact CD1-CD1 3.41Å; F245-W308 VanDerWaalsContact CD1-CD1 3.41Å; F245-W308 AromaticContact CD1-NE1 3.96Å; F245-W308 AromaticContact CE1-CD1 3.5Å; F245-W308 AromaticContact CE1-NE1 3.67Å; F245-W308 AromaticContact CG-CD1 3.89Å; F245-W308 AromaticContact CZ-NE1 3.8Å; F245-I311 HydrophobicContact CD1-CG2 4.49Å; F245-I311 HydrophobicContact CE1-CG2 4.11Å
246	G	92.6	Very high	93	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-58.8	-47.7	175.9	0	0	0	0	0	112.9	T243 Q244 A250 A290 V294	T243-G246 PolarHBondContact O-N 2.76Å; Q244-G246 PolarHBondContact O-N 2.86Å; G246-A250 WeakPolarHBondContact O-CB 3.04Å; G246-A250 PolarHBondContact O-N 3.39Å; G246-A290 CarbonylContact C-O 3.05Å; G246-A290 WeakPolarHBondContact CA-O 3.31Å; G246-V294 VanDerWaalsContact CA-CG2 3.5Å
247	M	94.1	Very high	92.7	Very high	11 Å²	11	26 Å²	26	5%	0.054	14%	0.14	C	C	.	.	H	α-helix	trans	-70.4	-34	178.5	64	174.7	-169.7	0	0	112.2	Q244 F245 H251 Y273 K277 F280 F286 A290	Q244-M247 HydrophobicContact CB-CE 4Å; Q244-M247 WeakPolarHBondContact O-CG 3.34Å; Q244-M247 PolarHBondContact O-N 3.14Å; F245-M247 PolarHBondContact O-N 2.96Å; M247-H251 VanDerWaalsContact O-CB 3.24Å; M247-H251 WeakPolarHBondContact O-CB 3.47Å; M247-H251 PolarHBondContact O-N 2.96Å; M247-Y273 HydrophobicContact CE-CD2 3.67Å; M247-Y273 HydrophobicContact CE-CE1 4.36Å; M247-Y273 HydrophobicContact CE-CE2 3.14Å; M247-Y273 HydrophobicContact CE-CG 4.46Å; M247-K277 HydrophobicContact CE-CB 4.34Å; M247-K277 HydrophobicContact SD-CB 4.33Å; M247-K277 HydrophobicContact SD-CD 4.18Å; M247-F280 HydrophobicContact CB-CB 4.43Å; M247-F280 HydrophobicContact CB-CD2 3.94Å; M247-F280 HydrophobicContact SD-CB 4.17Å; M247-F280 HydrophobicContact SD-CG 4.34Å; M247-F286 HydrophobicContact CB-CE1 3.99Å; M247-F286 HydrophobicContact CB-CZ 4.3Å; M247-F286 WeakPolarHBondContact O-CZ 3.48Å; M247-A290 HydrophobicContact CB-CB 4.05Å
248	L	95.1	Very high	92.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.5	-43.6	177.3	-66.4	167.3	0	0	0	111.4	A204 Q244 F245 H251 L252 F272 Y273 I311	A204-L248 HydrophobicContact CB-CD1 3.37Å; A204-L248 HydrophobicContact CB-CD2 4.41Å; Q244-L248 WeakPolarHBondContact O-CG 3.23Å; Q244-L248 PolarHBondContact O-N 3.07Å; F245-L248 HydrophobicContact CD1-CD1 4.3Å; F245-L248 PolarHBondContact O-N 3.34Å; L248-H251 PolarHBondContact O-N 2.76Å; L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L252 PolarHBondContact O-N 3.46Å; L248-F272 HydrophobicContact CB-CE1 4.32Å; L248-F272 HydrophobicContact CD2-CD1 3.69Å; L248-F272 HydrophobicContact CD2-CE1 3.93Å; L248-Y273 HydrophobicContact CD2-CD2 4.18Å; L248-I311 HydrophobicContact CB-CD1 3.98Å; L248-I311 HydrophobicContact CD1-CG2 4.36Å
249	I	95.7	Very high	92.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-45.2	178.6	-65.8	167.1	0	0	0	110.8	F245 H251 L252 Q253 C293 L297 I304 A307 W308 I311	F245-I249 WeakPolarHBondContact O-CB 3.46Å; F245-I249 VanDerWaalsContact O-CG1 3.24Å; F245-I249 WeakPolarHBondContact O-CG1 3.48Å; F245-I249 PolarHBondContact O-N 3.07Å; I249-H251 PolarHBondContact O-N 2.91Å; I249-L252 WeakPolarHBondContact O-CB 3.15Å; I249-L252 PolarHBondContact O-N 2.82Å; I249-L252 VanDerWaalsContact O-N 3.1Å; I249-Q253 WeakPolarHBondContact O-CG 3.45Å; I249-Q253 PolarHBondContact O-N 2.85Å; I249-C293 HydrophobicContact CB-CB 4.41Å; I249-C293 HydrophobicContact CG2-CB 4.34Å; I249-L297 HydrophobicContact CD1-CD2 4.13Å; I249-I304 HydrophobicContact CD1-CG2 3.86Å; I249-I304 HydrophobicContact CG2-CD1 3.89Å; I249-I304 HydrophobicContact CG2-CG2 4.32Å; I249-A307 HydrophobicContact CG1-CB 4.11Å; I249-A307 HydrophobicContact CG2-CB 3.89Å; I249-W308 HydrophobicContact CD1-CB 4.14Å; I249-I311 HydrophobicContact CG1-CD1 3.88Å
250	A	96.1	Very high	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-37.5	175.3	0	0	0	0	0	111.6	G246 D254 F286 R289 A290	G246-A250 WeakPolarHBondContact O-CB 3.04Å; G246-A250 PolarHBondContact O-N 3.39Å; A250-D254 PolarHBondContact O-N 3.47Å; A250-F286 HydrophobicContact CB-CD2 4.35Å; A250-F286 HydrophobicContact CB-CE2 3.79Å; A250-F286 HydrophobicContact CB-CZ 4.07Å; A250-R289 HydrophobicContact CB-CB 4.5Å; A250-A290 HydrophobicContact CB-CB 4.44Å
251	H	96.3	Very high	92.3	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-68.8	-39.9	174.7	-169.6	54.7	0	0	0	112.5	M247 L248 I249 Q253 D254 K255 F272 E275 R279 F286	M247-H251 VanDerWaalsContact O-CB 3.24Å; M247-H251 WeakPolarHBondContact O-CB 3.47Å; M247-H251 PolarHBondContact O-N 2.96Å; L248-H251 PolarHBondContact O-N 2.76Å; I249-H251 PolarHBondContact O-N 2.91Å; H251-Q253 VanDerWaalsContact C-N 3.35Å; H251-Q253 PolarHBondContact O-N 2.86Å; H251-D254 PolarHBondContact O-N 3.42Å; H251-K255 WeakPolarHBondContact O-CB 3.49Å; H251-K255 PolarHBondContact O-N 3.09Å; H251-F272 HydrophobicContact CB-CE1 4.4Å; H251-F272 HydrophobicContact CB-CZ 4.25Å; H251-F272 AromaticContact CD2-CD2 3.85Å; H251-F272 AromaticContact CD2-CE1 3.85Å; H251-F272 AromaticContact CD2-CE2 3.51Å; H251-F272 AromaticContact CD2-CZ 3.51Å; H251-E275 IonicContact CE1-OE2 3.27Å; H251-E275 IonicContact NE2-OE2 3.72Å; H251-E275 PolarHBondContact NE2-OE2 3.15Å; H251-R279 PolarHBondContact ND1-NH1 3.43Å; H251-F286 HydrophobicContact CB-CE2 4.14Å; H251-F286 HydrophobicContact CB-CZ 4Å
252	L	95.6	Very high	92.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-44.9	177	-171.5	76.1	0	0	0	111.4	L248 I249 D254 K255 F256 Y259 P264 I266 F272 A307 I311	L248-L252 WeakPolarHBondContact O-CB 3.38Å; L248-L252 PolarHBondContact O-N 3.46Å; I249-L252 WeakPolarHBondContact O-CB 3.15Å; I249-L252 PolarHBondContact O-N 2.82Å; I249-L252 VanDerWaalsContact O-N 3.1Å; L252-D254 VanDerWaalsContact C-N 3.28Å; L252-D254 PolarHBondContact O-N 3.42Å; L252-K255 PolarHBondContact O-N 3.49Å; L252-F256 HydrophobicContact CD1-CD2 3.92Å; L252-F256 CarbonylContact O-C 3.57Å; L252-F256 WeakPolarHBondContact O-CA 3.47Å; L252-F256 PolarHBondContact O-N 3.35Å; L252-Y259 HydrophobicContact CD2-CD2 3.94Å; L252-Y259 HydrophobicContact CD2-CG 3.91Å; L252-Y259 HydrophobicContact CG-CG 4.33Å; L252-P264 HydrophobicContact CD1-CB 4.25Å; L252-P264 HydrophobicContact CD1-CG 4.13Å; L252-I266 HydrophobicContact CD1-CD1 3.72Å; L252-I266 HydrophobicContact CD1-CG1 4.39Å; L252-F272 HydrophobicContact CB-CZ 4Å; L252-F272 HydrophobicContact CD1-CE2 4.33Å; L252-F272 HydrophobicContact CD1-CZ 3.96Å; L252-A307 HydrophobicContact CD2-CB 3.66Å; L252-I311 HydrophobicContact CD2-CD1 4.37Å; L252-I311 HydrophobicContact CD2-CG1 4.49Å
253	Q	95.1	Very high	92.5	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	25%	0.252	S	S	.	.	H	α-helix	trans	-58.6	-39.2	178.8	-72	172.8	-20.7	0	0	112.5	I249 H251 P257 Y259	I249-Q253 WeakPolarHBondContact O-CG 3.45Å; I249-Q253 PolarHBondContact O-N 2.85Å; H251-Q253 VanDerWaalsContact C-N 3.35Å; H251-Q253 PolarHBondContact O-N 2.86Å; Q253-P257 WeakPolarHBondContact O-CA 3.46Å; Q253-Y259 HydrophobicContact CG-CE1 4.02Å
254	D	94.6	Very high	92.7	Very high	67 Å²	67	41.1 Å²	41.1	36%	0.358	23%	0.23	S	C	.	.	H	α-helix	trans	-77.9	-39	179.4	-69.3	-13.7	0	0	0	112.2	A250 H251 L252 R279 R289	A250-D254 PolarHBondContact O-N 3.47Å; H251-D254 PolarHBondContact O-N 3.42Å; L252-D254 VanDerWaalsContact C-N 3.28Å; L252-D254 PolarHBondContact O-N 3.42Å; D254-R279 IonicContact OD2-CZ 3.5Å; D254-R279 IonicContact OD2-NH1 3.77Å; D254-R279 PolarHBondContact OD2-NH1 3.47Å; D254-R279 IonicContact OD2-NH2 3.67Å; D254-R279 PolarHBondContact OD2-NH2 2.94Å; D254-R289 IonicContact OD1-CZ 2.73Å; D254-R289 IonicContact OD1-NH1 3.8Å; D254-R289 PolarHBondContact OD1-NH1 3.49Å; D254-R289 IonicContact OD1-NH2 3.5Å; D254-R289 IonicContact OD2-CZ 3.14Å; D254-R289 IonicContact OD2-NH1 2.65Å; D254-R289 IonicContact OD2-NH2 2.87Å; D254-R289 PolarHBondContact OD2-NH2 3.01Å
255	K	94.4	Very high	92.7	Very high	87 Å²	87	45.2 Å²	45.2	38%	0.378	26%	0.259	S	S	.	.	H	α-helix	trans	-81.2	-34.6	-174.3	-165.9	169.7	-173.6	171.2	0	112.8	H251 L252 F272 E275	H251-K255 WeakPolarHBondContact O-CB 3.49Å; H251-K255 PolarHBondContact O-N 3.09Å; L252-K255 PolarHBondContact O-N 3.49Å; K255-F272 HydrophobicContact CD-CD2 4.34Å; K255-F272 HydrophobicContact CD-CE2 4.07Å; K255-E275 IonicContact NZ-OE1 3.7Å; K255-E275 PolarHBondContact NZ-OE1 3.46Å; K255-E275 IonicContact NZ-OE2 2.81Å; K255-E275 PolarHBondContact NZ-OE2 2.83Å
256	F	94.6	Very high	92.1	Very high	38 Å²	38	46 Å²	46	17%	0.167	26%	0.263	C	S	.	.			trans	-136.3	76.3	-177.9	-58.7	-70.4	0	0	0	109.2	L252 D258 Y259 P264 P265 I266 F272	L252-F256 HydrophobicContact CD1-CD2 3.92Å; L252-F256 CarbonylContact O-C 3.57Å; L252-F256 WeakPolarHBondContact O-CA 3.47Å; L252-F256 PolarHBondContact O-N 3.35Å; F256-D258 PolarHBondContact O-N 3.24Å; F256-D258 VanDerWaalsContact O-N 3.1Å; F256-Y259 WeakPolarHBondContact O-CB 3.37Å; F256-Y259 WeakPolarHBondContact O-CD1 3.23Å; F256-Y259 PolarHBondContact O-N 3.26Å; F256-Y259 VanDerWaalsContact O-N 3.1Å; F256-P264 HydrophobicContact CB-CB 4.08Å; F256-P264 HydrophobicContact CD1-CB 4.3Å; F256-P264 HydrophobicContact CD2-CB 3.81Å; F256-P264 HydrophobicContact CE2-CB 4.28Å; F256-P264 HydrophobicContact CG-CB 3.8Å; F256-P265 HydrophobicContact CE1-CG 3.84Å; F256-P265 HydrophobicContact CZ-CG 4.13Å; F256-I266 HydrophobicContact CE2-CG1 4.34Å; F256-F272 HydrophobicContact CE2-CE2 4.36Å
257	P	92.2	Very high	91.4	Very high	101 Å²	101	48.8 Å²	48.8	66%	0.656	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.7	-175.7	25.9	-34.9	0	0	0	113.3	Q253	Q253-P257 WeakPolarHBondContact O-CA 3.46Å
258	D	93.6	Very high	90.8	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	13.9	179.3	61.9	-32	0	0	0	113.9	F256 L260 T261 V262	F256-D258 PolarHBondContact O-N 3.24Å; F256-D258 VanDerWaalsContact O-N 3.1Å; D258-L260 PolarHBondContact O-N 3.33Å; D258-T261 PolarHBondContact O-N 3.12Å; D258-T261 PolarHBondContact O-OG1 3.14Å; D258-V262 PolarHBondContact O-N 3.16Å; D258-V262 WeakPolarHBondContact OD2-CG2 3.46Å
259	Y	93.2	Very high	90.3	Very high	14 Å²	14	52.4 Å²	52.4	6%	0.055	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.5	-178.6	77.3	-86.5	0	0	0	114.7	L252 Q253 F256 T261 V262 D303 A307 L310	L252-Y259 HydrophobicContact CD2-CD2 3.94Å; L252-Y259 HydrophobicContact CD2-CG 3.91Å; L252-Y259 HydrophobicContact CG-CG 4.33Å; Q253-Y259 HydrophobicContact CG-CE1 4.02Å; F256-Y259 WeakPolarHBondContact O-CB 3.37Å; F256-Y259 WeakPolarHBondContact O-CD1 3.23Å; F256-Y259 PolarHBondContact O-N 3.26Å; F256-Y259 VanDerWaalsContact O-N 3.1Å; Y259-T261 VanDerWaalsContact C-N 3.31Å; Y259-V262 WeakPolarHBondContact CA-O 3.42Å; Y259-D303 PolarHBondContact OH-O 3.17Å; Y259-A307 HydrophobicContact CD2-CB 4.03Å; Y259-A307 HydrophobicContact CE2-CB 3.52Å; Y259-L310 HydrophobicContact CD2-CD1 4.17Å; Y259-L310 WeakPolarHBondContact O-CD1 3.43Å
260	L	92	Very high	89.6	Confident	77 Å²	77	54 Å²	54	40%	0.403	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.2	176.3	-68.8	173.3	0	0	0	112.3	D258 D303 K306	D258-L260 PolarHBondContact O-N 3.33Å; L260-D303 HydrophobicContact CD1-CB 4.34Å; L260-D303 HydrophobicContact CD2-CB 3.91Å; L260-K306 HydrophobicContact CD2-CB 4.25Å; L260-K306 HydrophobicContact CD2-CG 4.25Å
261	T	90.8	Very high	89.1	Confident	122 Å²	122	55.7 Å²	55.7	75%	0.748	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-34.7	-175.5	47	0	0	0	0	113.1	D258 Y259	D258-T261 PolarHBondContact O-N 3.12Å; D258-T261 PolarHBondContact O-OG1 3.14Å; Y259-T261 VanDerWaalsContact C-N 3.31Å
262	V	88.7	Confident	88.9	Confident	75 Å²	75	55.4 Å²	55.4	46%	0.455	33%	0.331	S	S	.	.	S	Bend	trans	-117.8	130.3	-175.8	-178.5	0	0	0	0	108.7	D258 Y259 P264	D258-V262 PolarHBondContact O-N 3.16Å; D258-V262 WeakPolarHBondContact OD2-CG2 3.46Å; Y259-V262 WeakPolarHBondContact CA-O 3.42Å; V262-P264 WeakPolarHBondContact O-CD 3.47Å
263	S	86.7	Confident	88.6	Confident	95 Å²	95	58 Å²	58	66%	0.664	34%	0.341	S	S	*	.			trans	-64.6	119.8	175.6	-170.2	0	0	0	0	109.4
264	P	86.8	Confident	88.3	Confident	13 Å²	13	59.7 Å²	59.7	8%	0.084	35%	0.348	C	S	.	.			trans	-70.9	136.7	-174.7	28.8	-34.9	0	0	0	110.5	L252 F256 V262 I266 L310	L252-P264 HydrophobicContact CD1-CB 4.25Å; L252-P264 HydrophobicContact CD1-CG 4.13Å; F256-P264 HydrophobicContact CB-CB 4.08Å; F256-P264 HydrophobicContact CD1-CB 4.3Å; F256-P264 HydrophobicContact CD2-CB 3.81Å; F256-P264 HydrophobicContact CE2-CB 4.28Å; F256-P264 HydrophobicContact CG-CB 3.8Å; V262-P264 WeakPolarHBondContact O-CD 3.47Å; P264-I266 HydrophobicContact CB-CD1 4.3Å; P264-I266 HydrophobicContact CB-CG1 3.96Å; P264-I266 HydrophobicContact CG-CD1 3.87Å; P264-I266 HydrophobicContact CG-CG1 4.02Å; P264-I266 PolarHBondContact O-N 2.83Å; P264-L310 HydrophobicContact CG-CD1 4.31Å
265	P	86.6	Confident	88.2	Confident	106 Å²	106	60.4 Å²	60.4	69%	0.688	35%	0.349	S	S	*	.			trans	-78.5	65.8	176.6	33.4	-36.5	0	0	0	110.9	F256 G267	F256-P265 HydrophobicContact CE1-CG 3.84Å; F256-P265 HydrophobicContact CZ-CG 4.13Å; P265-G267 PolarHBondContact O-N 3.07Å
266	I	80.4	Confident	88.1	Confident	18 Å²	18	56.3 Å²	56.3	9%	0.092	33%	0.331	C	S	.	.			trans	-78	102.3	175.5	-51.2	172	0	0	0	107.4	L252 F256 P264 L269 F272 V314	L252-I266 HydrophobicContact CD1-CD1 3.72Å; L252-I266 HydrophobicContact CD1-CG1 4.39Å; F256-I266 HydrophobicContact CE2-CG1 4.34Å; P264-I266 HydrophobicContact CB-CD1 4.3Å; P264-I266 HydrophobicContact CB-CG1 3.96Å; P264-I266 HydrophobicContact CG-CD1 3.87Å; P264-I266 HydrophobicContact CG-CG1 4.02Å; P264-I266 PolarHBondContact O-N 2.83Å; I266-L269 HydrophobicContact CG2-CD1 3.82Å; I266-F272 HydrophobicContact CG2-CB 4.34Å; I266-F272 HydrophobicContact CG2-CD2 4.24Å; I266-F272 HydrophobicContact CG2-CG 4.28Å; I266-V314 HydrophobicContact CB-CG2 4.12Å; I266-V314 HydrophobicContact CD1-CG2 4.47Å; I266-V314 HydrophobicContact CG2-CG1 4.33Å
267	G	76.9	Confident	88	Confident	60 Å²	60	57.9 Å²	57.9	62%	0.619	34%	0.338	S	S	*	.			trans	-77.5	-89.7	176.9	0	0	0	0	0	112	P265 L269	P265-G267 PolarHBondContact O-N 3.07Å; G267-L269 PolarHBondContact O-N 3.34Å
268	D	82.3	Confident	88.2	Confident	70 Å²	70	60.2 Å²	60.2	37%	0.374	34%	0.338	S	S	.	.			trans	-85	107.5	179.5	-173.5	-19	0	0	0	110.8	Q270 A271 F272 R461	D268-Q270 VanDerWaalsContact C-N 3.26Å; D268-Q270 PolarHBondContact O-N 2.81Å; D268-Q270 WeakPolarHBondContact OD1-CA 3.39Å; D268-Q270 VanDerWaalsContact OD1-CB 3.25Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.37Å; D268-Q270 PolarHBondContact OD1-N 2.95Å; D268-A271 HydrophobicContact CB-CB 3.92Å; D268-A271 WeakPolarHBondContact O-CB 3.09Å; D268-A271 PolarHBondContact O-N 3.32Å; D268-A271 PolarHBondContact OD1-N 3.14Å; D268-F272 PolarHBondContact O-N 3.34Å; D268-R461 IonicContact OD1-NH2 3.24Å; D268-R461 IonicContact OD2-CZ 3.8Å; D268-R461 IonicContact OD2-NH1 3.7Å; D268-R461 IonicContact OD2-NH2 3.14Å; D268-R461 PolarHBondContact OD2-NH2 3.1Å
269	L	83	Confident	88.2	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-68.7	-25	-179.3	-163.9	63.7	0	0	0	113	A204 I266 G267 F272 Y273 I311 V314 S315	A204-L269 VanDerWaalsContact CA-CD2 3.48Å; A204-L269 HydrophobicContact CB-CD2 3.91Å; A204-L269 HydrophobicContact CB-CG 4.03Å; I266-L269 HydrophobicContact CG2-CD1 3.82Å; G267-L269 PolarHBondContact O-N 3.34Å; L269-F272 HydrophobicContact CD1-CB 4.4Å; L269-F272 HydrophobicContact CD1-CD1 4.36Å; L269-F272 PolarHBondContact O-N 3.03Å; L269-Y273 WeakPolarHBondContact O-CB 3.37Å; L269-Y273 PolarHBondContact O-N 2.9Å; L269-I311 HydrophobicContact CD1-CG2 4.34Å; L269-V314 HydrophobicContact CB-CG1 4.39Å; L269-V314 HydrophobicContact CD2-CG1 4.46Å; L269-S315 WeakPolarHBondContact CD2-OG 3.25Å
270	Q	81.8	Confident	88.3	Confident	33 Å²	33	59.8 Å²	59.8	15%	0.154	33%	0.332	C	S	.	.	H	α-helix	trans	-70.3	-41.1	173.2	-168	-167.3	49.5	0	0	110.7	E206 D268 F272 Y273 K274	E206-Q270 HydrophobicContact CG-CB 3.98Å; E206-Q270 HydrophobicContact CG-CG 4.06Å; E206-Q270 PolarHBondContact OE1-NE2 3.36Å; E206-Q270 PolarHBondContact OE1-OE1 3.14Å; E206-Q270 PolarHBondContact OE2-NE2 2.88Å; D268-Q270 VanDerWaalsContact C-N 3.26Å; D268-Q270 PolarHBondContact O-N 2.81Å; D268-Q270 WeakPolarHBondContact OD1-CA 3.39Å; D268-Q270 VanDerWaalsContact OD1-CB 3.25Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.37Å; D268-Q270 PolarHBondContact OD1-N 2.95Å; Q270-F272 VanDerWaalsContact C-N 3.33Å; Q270-Y273 PolarHBondContact O-N 3.32Å; Q270-K274 HydrophobicContact CG-CD 4.49Å; Q270-K274 WeakPolarHBondContact O-CB 3.35Å; Q270-K274 WeakPolarHBondContact O-CG 3.44Å; Q270-K274 PolarHBondContact O-N 3.05Å
271	A	86.3	Confident	88.3	Confident	36 Å²	36	61 Å²	61	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-45.9	173.6	0	0	0	0	0	110.4	D268 Y273 K274 E275	D268-A271 HydrophobicContact CB-CB 3.92Å; D268-A271 WeakPolarHBondContact O-CB 3.09Å; D268-A271 PolarHBondContact O-N 3.32Å; D268-A271 PolarHBondContact OD1-N 3.14Å; A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 PolarHBondContact O-N 2.95Å; A271-K274 PolarHBondContact O-N 3.27Å; A271-E275 WeakPolarHBondContact O-CG 3.29Å; A271-E275 PolarHBondContact O-N 2.89Å
272	F	90.6	Very high	88.5	Confident	6 Å²	6	60 Å²	60	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-58.9	-42	174.9	-169.4	-88	0	0	0	112.4	L248 H251 L252 K255 F256 I266 D268 L269 Q270 S276	L248-F272 HydrophobicContact CB-CE1 4.32Å; L248-F272 HydrophobicContact CD2-CD1 3.69Å; L248-F272 HydrophobicContact CD2-CE1 3.93Å; H251-F272 HydrophobicContact CB-CE1 4.4Å; H251-F272 HydrophobicContact CB-CZ 4.25Å; H251-F272 AromaticContact CD2-CD2 3.85Å; H251-F272 AromaticContact CD2-CE1 3.85Å; H251-F272 AromaticContact CD2-CE2 3.51Å; H251-F272 AromaticContact CD2-CZ 3.51Å; L252-F272 HydrophobicContact CB-CZ 4Å; L252-F272 HydrophobicContact CD1-CE2 4.33Å; L252-F272 HydrophobicContact CD1-CZ 3.96Å; K255-F272 HydrophobicContact CD-CD2 4.34Å; K255-F272 HydrophobicContact CD-CE2 4.07Å; F256-F272 HydrophobicContact CE2-CE2 4.36Å; I266-F272 HydrophobicContact CG2-CB 4.34Å; I266-F272 HydrophobicContact CG2-CD2 4.24Å; I266-F272 HydrophobicContact CG2-CG 4.28Å; D268-F272 PolarHBondContact O-N 3.34Å; L269-F272 HydrophobicContact CD1-CB 4.4Å; L269-F272 HydrophobicContact CD1-CD1 4.36Å; L269-F272 PolarHBondContact O-N 3.03Å; Q270-F272 VanDerWaalsContact C-N 3.33Å; F272-S276 PolarHBondContact O-N 3.02Å
273	Y	89.2	Confident	88.9	Confident	53 Å²	53	60 Å²	60	21%	0.208	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-49.2	173.9	177.5	-85.6	0	0	0	111.8	Q244 M247 L248 L269 Q270 A271 E275 S276 K277	Q244-Y273 HydrophobicContact CB-CE2 4.23Å; M247-Y273 HydrophobicContact CE-CD2 3.67Å; M247-Y273 HydrophobicContact CE-CE1 4.36Å; M247-Y273 HydrophobicContact CE-CE2 3.14Å; M247-Y273 HydrophobicContact CE-CG 4.46Å; L248-Y273 HydrophobicContact CD2-CD2 4.18Å; L269-Y273 WeakPolarHBondContact O-CB 3.37Å; L269-Y273 PolarHBondContact O-N 2.9Å; Q270-Y273 PolarHBondContact O-N 3.32Å; A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 PolarHBondContact O-N 2.95Å; Y273-E275 VanDerWaalsContact C-N 3.31Å; Y273-E275 PolarHBondContact O-N 3.41Å; Y273-S276 PolarHBondContact O-N 3.25Å; Y273-S276 PolarHBondContact O-OG 3.12Å; Y273-K277 HydrophobicContact CE1-CB 4.34Å; Y273-K277 WeakPolarHBondContact O-CB 3.41Å; Y273-K277 PolarHBondContact O-N 3.1Å
274	K	89.1	Confident	89.2	Confident	92 Å²	92	62.9 Å²	62.9	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-40.6	179.3	-75.3	177	175.2	179.7	0	111.3	Q270 A271 K277 K278 E458	Q270-K274 HydrophobicContact CG-CD 4.49Å; Q270-K274 WeakPolarHBondContact O-CB 3.35Å; Q270-K274 WeakPolarHBondContact O-CG 3.44Å; Q270-K274 PolarHBondContact O-N 3.05Å; A271-K274 PolarHBondContact O-N 3.27Å; K274-K277 PolarHBondContact O-N 3.05Å; K274-K278 WeakPolarHBondContact O-CB 3.27Å; K274-K278 PolarHBondContact O-N 3.45Å; K274-E458 IonicContact NZ-OE1 3.11Å; K274-E458 PolarHBondContact NZ-OE1 3.19Å; K274-E458 IonicContact NZ-OE2 3.58Å
275	E	92.2	Very high	89.6	Confident	83 Å²	83	68 Å²	68	39%	0.388	35%	0.353	S	S	.	.	H	α-helix	trans	-61.4	-51.5	173.4	-73.7	175.9	-158.6	0	0	111.6	H251 K255 A271 Y273 K277 K278 R279	H251-E275 IonicContact CE1-OE2 3.27Å; H251-E275 IonicContact NE2-OE2 3.72Å; H251-E275 PolarHBondContact NE2-OE2 3.15Å; K255-E275 IonicContact NZ-OE1 3.7Å; K255-E275 PolarHBondContact NZ-OE1 3.46Å; K255-E275 IonicContact NZ-OE2 2.81Å; K255-E275 PolarHBondContact NZ-OE2 2.83Å; A271-E275 WeakPolarHBondContact O-CG 3.29Å; A271-E275 PolarHBondContact O-N 2.89Å; Y273-E275 VanDerWaalsContact C-N 3.31Å; Y273-E275 PolarHBondContact O-N 3.41Å; E275-K277 VanDerWaalsContact C-N 3.29Å; E275-K277 PolarHBondContact O-N 3.29Å; E275-K278 PolarHBondContact O-N 3.45Å; E275-R279 WeakPolarHBondContact O-CG 3.36Å; E275-R279 PolarHBondContact O-N 2.95Å; E275-R279 VanDerWaalsContact O-N 3.14Å
276	S	93.6	Very high	90	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-38.2	178.1	74.7	0	0	0	0	112.5	F272 Y273 R279 F280 F286	F272-S276 PolarHBondContact O-N 3.02Å; Y273-S276 PolarHBondContact O-N 3.25Å; Y273-S276 PolarHBondContact O-OG 3.12Å; S276-R279 PolarHBondContact O-N 3Å; S276-F280 WeakPolarHBondContact O-CB 3.22Å; S276-F280 PolarHBondContact O-N 3.19Å; S276-F286 WeakPolarHBondContact O-CE1 3.45Å
277	K	92.9	Very high	90.7	Very high	71 Å²	71	66.2 Å²	66.2	31%	0.309	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-41.9	179.2	-178.6	54	177.2	153.7	0	111.6	M247 Y273 K274 E275 R279 F280 D281	M247-K277 HydrophobicContact CE-CB 4.34Å; M247-K277 HydrophobicContact SD-CB 4.33Å; M247-K277 HydrophobicContact SD-CD 4.18Å; Y273-K277 HydrophobicContact CE1-CB 4.34Å; Y273-K277 WeakPolarHBondContact O-CB 3.41Å; Y273-K277 PolarHBondContact O-N 3.1Å; K274-K277 PolarHBondContact O-N 3.05Å; E275-K277 VanDerWaalsContact C-N 3.29Å; E275-K277 PolarHBondContact O-N 3.29Å; K277-R279 VanDerWaalsContact C-N 3.33Å; K277-R279 PolarHBondContact O-N 2.85Å; K277-F280 WeakPolarHBondContact O-CB 3Å; K277-F280 PolarHBondContact O-N 3.31Å; K277-D281 WeakPolarHBondContact CE-OD2 3.49Å; K277-D281 IonicContact NZ-OD1 3.24Å; K277-D281 PolarHBondContact NZ-OD1 2.9Å; K277-D281 IonicContact NZ-OD2 2.71Å; K277-D281 PolarHBondContact NZ-OD2 2.9Å; K277-D281 PolarHBondContact O-N 3.32Å
278	K	94.8	Very high	91.5	Very high	151 Å²	151	68.6 Å²	68.6	66%	0.657	33%	0.328	S	S	*	.	H	α-helix	trans	-57.2	-48.5	173.9	-175.2	179.9	179.2	-177.2	0	110.7	K274 E275 F280 D281 T282	K274-K278 WeakPolarHBondContact O-CB 3.27Å; K274-K278 PolarHBondContact O-N 3.45Å; E275-K278 PolarHBondContact O-N 3.45Å; K278-F280 VanDerWaalsContact C-N 3.34Å; K278-F280 PolarHBondContact O-N 3.01Å; K278-D281 PolarHBondContact O-N 2.87Å; K278-T282 WeakPolarHBondContact O-CG2 3.38Å; K278-T282 PolarHBondContact O-N 3.42Å; K278-T282 PolarHBondContact O-OG1 3.45Å
279	R	95.3	Very high	92	Very high	45 Å²	45	68.9 Å²	68.9	17%	0.17	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-40.7	177.4	-62.5	-172.4	68.2	-155.5	-15.1	112.2	H251 D254 E275 S276 K277 D281 T282 E283 F286	H251-R279 PolarHBondContact ND1-NH1 3.43Å; D254-R279 IonicContact OD2-CZ 3.5Å; D254-R279 IonicContact OD2-NH1 3.77Å; D254-R279 PolarHBondContact OD2-NH1 3.47Å; D254-R279 IonicContact OD2-NH2 3.67Å; D254-R279 PolarHBondContact OD2-NH2 2.94Å; E275-R279 WeakPolarHBondContact O-CG 3.36Å; E275-R279 PolarHBondContact O-N 2.95Å; E275-R279 VanDerWaalsContact O-N 3.14Å; S276-R279 PolarHBondContact O-N 3Å; K277-R279 VanDerWaalsContact C-N 3.33Å; K277-R279 PolarHBondContact O-N 2.85Å; R279-D281 VanDerWaalsContact C-N 3.27Å; R279-D281 PolarHBondContact O-N 3.31Å; R279-T282 PolarHBondContact O-N 2.99Å; R279-E283 VanDerWaalsContact CG-OE1 3.31Å; R279-E283 WeakPolarHBondContact CG-OE1 3.28Å; R279-E283 IonicContact CZ-OE1 2.75Å; R279-E283 IonicContact CZ-OE2 3.75Å; R279-E283 IonicContact NE-OE1 3.67Å; R279-E283 PolarHBondContact NE-OE1 2.9Å; R279-E283 IonicContact NE-OE2 3.72Å; R279-E283 PolarHBondContact NE-OE2 3.31Å; R279-E283 IonicContact NH2-OE1 3.61Å; R279-E283 IonicContact NH2-OE2 3.94Å; R279-E283 PolarHBondContact NH2-OE2 2.92Å; R279-E283 WeakPolarHBondContact O-CB 3.19Å; R279-E283 PolarHBondContact O-N 2.86Å; R279-F286 HydrophobicContact CB-CD1 3.77Å; R279-F286 HydrophobicContact CB-CD2 4.24Å; R279-F286 HydrophobicContact CB-CE1 3.8Å; R279-F286 HydrophobicContact CB-CE2 4.26Å; R279-F286 HydrophobicContact CB-CG 3.99Å; R279-F286 HydrophobicContact CB-CZ 4.04Å
280	F	93.7	Very high	92.5	Very high	33 Å²	33	68.2 Å²	68.2	15%	0.145	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-37.2	175.7	-170.8	-90.1	0	0	0	113.4	M247 S276 K277 K278 F286 K287 A290 Y291	M247-F280 HydrophobicContact CB-CB 4.43Å; M247-F280 HydrophobicContact CB-CD2 3.94Å; M247-F280 HydrophobicContact SD-CB 4.17Å; M247-F280 HydrophobicContact SD-CG 4.34Å; S276-F280 WeakPolarHBondContact O-CB 3.22Å; S276-F280 PolarHBondContact O-N 3.19Å; K277-F280 WeakPolarHBondContact O-CB 3Å; K277-F280 PolarHBondContact O-N 3.31Å; K278-F280 VanDerWaalsContact C-N 3.34Å; K278-F280 PolarHBondContact O-N 3.01Å; F280-F286 HydrophobicContact CB-CD1 4.25Å; F280-F286 HydrophobicContact CB-CE1 4.02Å; F280-K287 HydrophobicContact CD2-CB 4.47Å; F280-K287 HydrophobicContact CD2-CG 4.19Å; F280-K287 HydrophobicContact CE1-CD 4.33Å; F280-K287 HydrophobicContact CE1-CG 4.28Å; F280-K287 HydrophobicContact CE2-CB 4.46Å; F280-K287 HydrophobicContact CE2-CG 3.76Å; F280-K287 HydrophobicContact CZ-CD 4.28Å; F280-K287 HydrophobicContact CZ-CG 3.82Å; F280-A290 HydrophobicContact CD2-CB 3.87Å; F280-A290 HydrophobicContact CE2-CB 3.92Å; F280-Y291 HydrophobicContact CE2-CE2 4.39Å; F280-Y291 HydrophobicContact CZ-CE1 4.5Å; F280-Y291 HydrophobicContact CZ-CE2 4.12Å; F280-Y291 AromaticContact CZ-CZ 3.85Å
281	D	93.1	Very high	92.9	Very high	103 Å²	103	72.5 Å²	72.5	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-84.5	-24	-178.5	-64.7	-27.2	0	0	0	112.7	K277 K278 R279	K277-D281 WeakPolarHBondContact CE-OD2 3.49Å; K277-D281 IonicContact NZ-OD1 3.24Å; K277-D281 PolarHBondContact NZ-OD1 2.9Å; K277-D281 IonicContact NZ-OD2 2.71Å; K277-D281 PolarHBondContact NZ-OD2 2.9Å; K277-D281 PolarHBondContact O-N 3.32Å; K278-D281 PolarHBondContact O-N 2.87Å; R279-D281 VanDerWaalsContact C-N 3.27Å; R279-D281 PolarHBondContact O-N 3.31Å
282	T	94.6	Very high	93.1	Very high	101 Å²	101	76.4 Å²	76.4	62%	0.62	35%	0.348	S	S	*	.	H	α-helix	trans	-106.7	-23.3	-175.4	60.8	0	0	0	0	115.7	K278 R279	K278-T282 WeakPolarHBondContact O-CG2 3.38Å; K278-T282 PolarHBondContact O-N 3.42Å; K278-T282 PolarHBondContact O-OG1 3.45Å; R279-T282 PolarHBondContact O-N 2.99Å
283	E	96.1	Very high	93.3	Very high	74 Å²	74	76.3 Å²	76.3	35%	0.346	35%	0.348	S	S	.	.			trans	-115.8	110	-173.1	-64.8	170.3	-139	0	0	111.3	R279 E285 F286 K287	R279-E283 VanDerWaalsContact CG-OE1 3.31Å; R279-E283 WeakPolarHBondContact CG-OE1 3.28Å; R279-E283 IonicContact CZ-OE1 2.75Å; R279-E283 IonicContact CZ-OE2 3.75Å; R279-E283 IonicContact NE-OE1 3.67Å; R279-E283 PolarHBondContact NE-OE1 2.9Å; R279-E283 IonicContact NE-OE2 3.72Å; R279-E283 PolarHBondContact NE-OE2 3.31Å; R279-E283 IonicContact NH2-OE1 3.61Å; R279-E283 IonicContact NH2-OE2 3.94Å; R279-E283 PolarHBondContact NH2-OE2 2.92Å; R279-E283 WeakPolarHBondContact O-CB 3.19Å; R279-E283 PolarHBondContact O-N 2.86Å; E283-E285 PolarHBondContact O-N 2.88Å; E283-F286 HydrophobicContact CB-CB 3.61Å; E283-F286 PolarHBondContact O-N 3.44Å; E283-K287 PolarHBondContact O-N 2.85Å
284	E	94.6	Very high	93.3	Very high	156 Å²	156	74.7 Å²	74.7	73%	0.729	34%	0.343	S	S	*	.	H	α-helix	trans	-61.5	-42.3	179.5	-82.8	-169.3	155.9	0	0	113.4	F286 K287 K288	E284-F286 VanDerWaalsContact C-N 3.34Å; E284-F286 PolarHBondContact O-N 3.35Å; E284-K287 WeakPolarHBondContact O-CB 3.3Å; E284-K287 PolarHBondContact O-N 3.24Å; E284-K288 PolarHBondContact O-N 3.23Å
285	E	94.8	Very high	93.2	Very high	120 Å²	120	74.9 Å²	74.9	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-67.8	-35.1	179.5	-69.1	-54.6	121.4	0	0	112.1	E283 K288 R289	E283-E285 PolarHBondContact O-N 2.88Å; E285-K288 IonicContact OE1-NZ 3.95Å; E285-K288 PolarHBondContact OE1-NZ 3.01Å; E285-R289 WeakPolarHBondContact O-CG 3.44Å; E285-R289 PolarHBondContact O-N 3.47Å; E285-R289 VanDerWaalsContact O-N 3.11Å
286	F	95.6	Very high	93.1	Very high	1 Å²	1	74.6 Å²	74.6	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-65.6	-42.1	172.2	-179	-92.2	0	0	0	111.3	M247 A250 H251 S276 R279 F280 E283 E284 K288 R289 A290	M247-F286 HydrophobicContact CB-CE1 3.99Å; M247-F286 HydrophobicContact CB-CZ 4.3Å; M247-F286 WeakPolarHBondContact O-CZ 3.48Å; A250-F286 HydrophobicContact CB-CD2 4.35Å; A250-F286 HydrophobicContact CB-CE2 3.79Å; A250-F286 HydrophobicContact CB-CZ 4.07Å; H251-F286 HydrophobicContact CB-CE2 4.14Å; H251-F286 HydrophobicContact CB-CZ 4Å; S276-F286 WeakPolarHBondContact O-CE1 3.45Å; R279-F286 HydrophobicContact CB-CD1 3.77Å; R279-F286 HydrophobicContact CB-CD2 4.24Å; R279-F286 HydrophobicContact CB-CE1 3.8Å; R279-F286 HydrophobicContact CB-CE2 4.26Å; R279-F286 HydrophobicContact CB-CG 3.99Å; R279-F286 HydrophobicContact CB-CZ 4.04Å; F280-F286 HydrophobicContact CB-CD1 4.25Å; F280-F286 HydrophobicContact CB-CE1 4.02Å; E283-F286 HydrophobicContact CB-CB 3.61Å; E283-F286 PolarHBondContact O-N 3.44Å; E284-F286 VanDerWaalsContact C-N 3.34Å; E284-F286 PolarHBondContact O-N 3.35Å; F286-K288 PolarHBondContact O-N 3.41Å; F286-R289 PolarHBondContact O-N 3.33Å; F286-A290 WeakPolarHBondContact O-CB 3.39Å; F286-A290 PolarHBondContact O-N 3.38Å
287	K	93.8	Very high	93	Very high	86 Å²	86	75 Å²	75	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-60.3	-43	177.3	-173	174.2	-176.1	179.3	0	112.2	F280 E283 E284 A290 Y291	F280-K287 HydrophobicContact CD2-CB 4.47Å; F280-K287 HydrophobicContact CD2-CG 4.19Å; F280-K287 HydrophobicContact CE1-CD 4.33Å; F280-K287 HydrophobicContact CE1-CG 4.28Å; F280-K287 HydrophobicContact CE2-CB 4.46Å; F280-K287 HydrophobicContact CE2-CG 3.76Å; F280-K287 HydrophobicContact CZ-CD 4.28Å; F280-K287 HydrophobicContact CZ-CG 3.82Å; E283-K287 PolarHBondContact O-N 2.85Å; E284-K287 WeakPolarHBondContact O-CB 3.3Å; E284-K287 PolarHBondContact O-N 3.24Å; K287-A290 PolarHBondContact O-N 3.32Å; K287-Y291 HydrophobicContact CD-CE2 4.39Å; K287-Y291 HydrophobicContact CG-CD2 4.2Å; K287-Y291 HydrophobicContact CG-CE2 3.73Å; K287-Y291 WeakPolarHBondContact O-CD2 3.35Å; K287-Y291 PolarHBondContact O-N 2.86Å
288	K	93.3	Very high	92.6	Very high	110 Å²	110	74.9 Å²	74.9	48%	0.478	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174	-69.7	174.5	-170.3	163.2	0	111.7	E284 E285 F286 A290 Y291 Q292	E284-K288 PolarHBondContact O-N 3.23Å; E285-K288 IonicContact OE1-NZ 3.95Å; E285-K288 PolarHBondContact OE1-NZ 3.01Å; F286-K288 PolarHBondContact O-N 3.41Å; K288-A290 VanDerWaalsContact C-N 3.33Å; K288-A290 PolarHBondContact O-N 2.86Å; K288-Y291 PolarHBondContact O-N 3.49Å; K288-Q292 WeakPolarHBondContact O-CG 3.41Å; K288-Q292 PolarHBondContact O-N 3.36Å; K288-Q292 VanDerWaalsContact O-N 3.07Å
289	R	94.2	Very high	92.2	Very high	76 Å²	76	70.6 Å²	70.6	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-39	176.7	-72.3	-171.6	-62.4	154.1	3.1	112.5	A250 D254 E285 F286 Y291 Q292 C293	A250-R289 HydrophobicContact CB-CB 4.5Å; D254-R289 IonicContact OD1-CZ 2.73Å; D254-R289 IonicContact OD1-NH1 3.8Å; D254-R289 PolarHBondContact OD1-NH1 3.49Å; D254-R289 IonicContact OD1-NH2 3.5Å; D254-R289 IonicContact OD2-CZ 3.14Å; D254-R289 IonicContact OD2-NH1 2.65Å; D254-R289 IonicContact OD2-NH2 2.87Å; D254-R289 PolarHBondContact OD2-NH2 3.01Å; E285-R289 WeakPolarHBondContact O-CG 3.44Å; E285-R289 PolarHBondContact O-N 3.47Å; E285-R289 VanDerWaalsContact O-N 3.11Å; F286-R289 PolarHBondContact O-N 3.33Å; R289-Y291 PolarHBondContact O-N 2.86Å; R289-Q292 PolarHBondContact O-N 3.43Å; R289-C293 PolarHBondContact O-N 3.28Å; R289-C293 PolarHBondContact O-SG 2.67Å
290	A	93.8	Very high	91.9	Very high	2 Å²	2	73.4 Å²	73.4	2%	0.017	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-47.3	177.3	0	0	0	0	0	111.4	G246 M247 A250 F280 F286 K287 K288 C293 V294	G246-A290 CarbonylContact C-O 3.05Å; G246-A290 WeakPolarHBondContact CA-O 3.31Å; M247-A290 HydrophobicContact CB-CB 4.05Å; A250-A290 HydrophobicContact CB-CB 4.44Å; F280-A290 HydrophobicContact CD2-CB 3.87Å; F280-A290 HydrophobicContact CE2-CB 3.92Å; F286-A290 WeakPolarHBondContact O-CB 3.39Å; F286-A290 PolarHBondContact O-N 3.38Å; K287-A290 PolarHBondContact O-N 3.32Å; K288-A290 VanDerWaalsContact C-N 3.33Å; K288-A290 PolarHBondContact O-N 2.86Å; A290-C293 PolarHBondContact O-N 2.93Å; A290-V294 PolarHBondContact O-N 3.09Å
291	Y	89.4	Confident	92	Very high	124 Å²	124	74.3 Å²	74.3	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-41.3	175.3	-72.4	-61.3	0	0	0	112.6	F280 K287 K288 R289 C293 V294 V295	F280-Y291 HydrophobicContact CE2-CE2 4.39Å; F280-Y291 HydrophobicContact CZ-CE1 4.5Å; F280-Y291 HydrophobicContact CZ-CE2 4.12Å; F280-Y291 AromaticContact CZ-CZ 3.85Å; K287-Y291 HydrophobicContact CD-CE2 4.39Å; K287-Y291 HydrophobicContact CG-CD2 4.2Å; K287-Y291 HydrophobicContact CG-CE2 3.73Å; K287-Y291 WeakPolarHBondContact O-CD2 3.35Å; K287-Y291 PolarHBondContact O-N 2.86Å; K288-Y291 PolarHBondContact O-N 3.49Å; R289-Y291 PolarHBondContact O-N 2.86Å; Y291-C293 VanDerWaalsContact C-N 3.3Å; Y291-C293 PolarHBondContact O-N 3.21Å; Y291-V294 WeakPolarHBondContact O-CB 3.39Å; Y291-V294 PolarHBondContact O-N 3.04Å; Y291-V295 PolarHBondContact O-N 3.36Å
292	Q	91.4	Very high	92.1	Very high	117 Å²	117	74 Å²	74	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-60	-40.7	175.2	-70.8	170.4	-11.4	0	0	111.8	K288 R289 V294 V295 L296	K288-Q292 WeakPolarHBondContact O-CG 3.41Å; K288-Q292 PolarHBondContact O-N 3.36Å; K288-Q292 VanDerWaalsContact O-N 3.07Å; R289-Q292 PolarHBondContact O-N 3.43Å; Q292-V294 VanDerWaalsContact C-N 3.32Å; Q292-V294 PolarHBondContact O-N 2.97Å; Q292-V295 PolarHBondContact O-N 3.5Å; Q292-L296 WeakPolarHBondContact O-CG 3.2Å; Q292-L296 PolarHBondContact O-N 3.05Å
293	C	93.2	Very high	92.2	Very high	5 Å²	5	73.3 Å²	73.3	3%	0.034	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-36	176.7	-69.4	0	0	0	0	112.5	I249 R289 A290 Y291 L296 L297	I249-C293 HydrophobicContact CB-CB 4.41Å; I249-C293 HydrophobicContact CG2-CB 4.34Å; R289-C293 PolarHBondContact O-N 3.28Å; R289-C293 PolarHBondContact O-SG 2.67Å; A290-C293 PolarHBondContact O-N 2.93Å; Y291-C293 VanDerWaalsContact C-N 3.3Å; Y291-C293 PolarHBondContact O-N 3.21Å; C293-L296 PolarHBondContact O-N 2.88Å; C293-L297 WeakPolarHBondContact O-CB 3.38Å; C293-L297 PolarHBondContact O-N 3.15Å
294	V	89.3	Confident	92.1	Very high	18 Å²	18	70 Å²	70	11%	0.109	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-47.4	174	-180	0	0	0	0	110.7	G246 A290 Y291 Q292 L296 L297 Q298	G246-V294 VanDerWaalsContact CA-CG2 3.5Å; A290-V294 PolarHBondContact O-N 3.09Å; Y291-V294 WeakPolarHBondContact O-CB 3.39Å; Y291-V294 PolarHBondContact O-N 3.04Å; Q292-V294 VanDerWaalsContact C-N 3.32Å; Q292-V294 PolarHBondContact O-N 2.97Å; V294-L296 VanDerWaalsContact C-N 3.34Å; V294-L296 PolarHBondContact O-N 2.73Å; V294-L297 PolarHBondContact O-N 3.29Å; V294-Q298 WeakPolarHBondContact O-CG 3.32Å; V294-Q298 PolarHBondContact O-N 2.92Å
295	V	86.9	Confident	92.1	Very high	97 Å²	97	64.1 Å²	64.1	59%	0.588	33%	0.329	S	S	*	.	H	α-helix	trans	-63.6	-41.8	179.7	178.9	0	0	0	0	110.9	Y291 Q292 L297 Q298 G299	Y291-V295 PolarHBondContact O-N 3.36Å; Q292-V295 PolarHBondContact O-N 3.5Å; V295-L297 VanDerWaalsContact C-N 3.34Å; V295-L297 PolarHBondContact O-N 3.46Å; V295-Q298 PolarHBondContact O-N 3.4Å; V295-G299 PolarHBondContact O-N 3.12Å
296	L	91.6	Very high	92.1	Very high	76 Å²	76	63.1 Å²	63.1	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-36.8	176.5	-68.8	169.7	0	0	0	112.6	Q292 C293 V294 G299 K300 N301 I304	Q292-L296 WeakPolarHBondContact O-CG 3.2Å; Q292-L296 PolarHBondContact O-N 3.05Å; C293-L296 PolarHBondContact O-N 2.88Å; V294-L296 VanDerWaalsContact C-N 3.34Å; V294-L296 PolarHBondContact O-N 2.73Å; L296-G299 CarbonylContact O-C 3.44Å; L296-G299 PolarHBondContact O-N 2.88Å; L296-K300 PolarHBondContact O-N 3.08Å; L296-N301 HydrophobicContact CB-CB 4.17Å; L296-N301 VanDerWaalsContact O-CB 3.25Å; L296-N301 WeakPolarHBondContact O-CB 3.49Å; L296-N301 PolarHBondContact O-N 3.31Å; L296-I304 HydrophobicContact CB-CB 4.45Å; L296-I304 HydrophobicContact CB-CG1 3.9Å; L296-I304 HydrophobicContact CB-CG2 4.37Å; L296-I304 HydrophobicContact CD1-CG1 4.24Å
297	L	91.3	Very high	92.1	Very high	8 Å²	8	63 Å²	63	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175	-178.4	61.1	0	0	0	110.8	W241 F245 I249 C293 V294 V295 G299 K300 I304 W308	W241-L297 HydrophobicContact CH2-CD1 4.45Å; W241-L297 HydrophobicContact CH2-CG 3.98Å; W241-L297 HydrophobicContact CZ3-CD1 4.42Å; W241-L297 HydrophobicContact CZ3-CD2 4.32Å; W241-L297 HydrophobicContact CZ3-CG 4.11Å; F245-L297 HydrophobicContact CB-CD2 4.1Å; I249-L297 HydrophobicContact CD1-CD2 4.13Å; C293-L297 WeakPolarHBondContact O-CB 3.38Å; C293-L297 PolarHBondContact O-N 3.15Å; V294-L297 PolarHBondContact O-N 3.29Å; V295-L297 VanDerWaalsContact C-N 3.34Å; V295-L297 PolarHBondContact O-N 3.46Å; L297-G299 VanDerWaalsContact C-N 3.28Å; L297-G299 PolarHBondContact O-N 3.49Å; L297-K300 WeakPolarHBondContact O-CA 3.29Å; L297-K300 PolarHBondContact O-N 2.85Å; L297-I304 HydrophobicContact CB-CG2 3.72Å; L297-I304 HydrophobicContact CD1-CG2 4.17Å; L297-W308 HydrophobicContact CD1-CB 3.68Å; L297-W308 HydrophobicContact CD1-CD2 4.47Å; L297-W308 HydrophobicContact CD1-CG 3.91Å; L297-W308 HydrophobicContact CD2-CB 4.35Å; L297-W308 HydrophobicContact CD2-CG 4.16Å
298	Q	84.8	Confident	92.2	Very high	69 Å²	69	60 Å²	60	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-63.2	-34.6	174	-69.2	174.4	-13.3	0	0	112	W241 V294 V295 K300 Q339	W241-Q298 HydrophobicContact CZ2-CG 4.06Å; V294-Q298 WeakPolarHBondContact O-CG 3.32Å; V294-Q298 PolarHBondContact O-N 2.92Å; V295-Q298 PolarHBondContact O-N 3.4Å; Q298-K300 PolarHBondContact O-N 3.37Å; Q298-K300 VanDerWaalsContact O-N 3.13Å; Q298-Q339 PolarHBondContact O-NE2 3.44Å
299	G	86.1	Confident	92.2	Very high	61 Å²	61	59.9 Å²	59.9	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	4.5	171.6	0	0	0	0	0	114.8	V295 L296 L297 N301	V295-G299 PolarHBondContact O-N 3.12Å; L296-G299 CarbonylContact O-C 3.44Å; L296-G299 PolarHBondContact O-N 2.88Å; L297-G299 VanDerWaalsContact C-N 3.28Å; L297-G299 PolarHBondContact O-N 3.49Å; G299-N301 PolarHBondContact O-N 3.2Å
300	K	89.4	Confident	92.2	Very high	105 Å²	105	57.2 Å²	57.2	46%	0.457	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	35.2	-177.7	-57.1	-176.3	-179.6	179.3	0	113.3	L296 L297 Q298 D340	L296-K300 PolarHBondContact O-N 3.08Å; L297-K300 WeakPolarHBondContact O-CA 3.29Å; L297-K300 PolarHBondContact O-N 2.85Å; Q298-K300 PolarHBondContact O-N 3.37Å; Q298-K300 VanDerWaalsContact O-N 3.13Å; K300-D340 WeakPolarHBondContact CE-OD1 3.38Å; K300-D340 IonicContact NZ-OD1 3.32Å; K300-D340 PolarHBondContact NZ-OD1 3.21Å; K300-D340 IonicContact NZ-OD2 3.52Å; K300-D340 PolarHBondContact NZ-OD2 3.23Å
301	N	95.5	Very high	92.1	Very high	52 Å²	52	57.1 Å²	57.1	28%	0.278	30%	0.299	S	S	.	.			trans	-59	127	175.8	177.5	-74.7	0	0	0	110	L296 G299 D303 I304 T305	L296-N301 HydrophobicContact CB-CB 4.17Å; L296-N301 VanDerWaalsContact O-CB 3.25Å; L296-N301 WeakPolarHBondContact O-CB 3.49Å; L296-N301 PolarHBondContact O-N 3.31Å; G299-N301 PolarHBondContact O-N 3.2Å; N301-D303 PolarHBondContact O-N 3.07Å; N301-D303 PolarHBondContact OD1-N 3.23Å; N301-D303 VanDerWaalsContact OD1-N 3.12Å; N301-I304 HydrophobicContact CB-CB 4.13Å; N301-I304 HydrophobicContact CB-CG1 4.16Å; N301-I304 PolarHBondContact O-N 2.82Å; N301-I304 WeakPolarHBondContact OD1-CG1 3.48Å; N301-I304 PolarHBondContact OD1-N 2.92Å; N301-T305 VanDerWaalsContact O-CB 3.28Å; N301-T305 WeakPolarHBondContact O-CB 3.32Å; N301-T305 PolarHBondContact O-N 2.68Å; N301-T305 PolarHBondContact O-OG1 3.11Å
302	P	95.5	Very high	92.3	Very high	97 Å²	97	51.2 Å²	51.2	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-58.3	-44.1	-172.7	-28.2	35.5	0	0	0	114.7	T305 K306	P302-T305 PolarHBondContact O-N 3.04Å; P302-K306 WeakPolarHBondContact O-CB 3.43Å; P302-K306 PolarHBondContact O-N 3.1Å
303	D	94.9	Very high	92.4	Very high	85 Å²	85	48.8 Å²	48.8	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-70.2	-44.4	-175.7	-63.5	-16.8	0	0	0	110.8	Y259 L260 N301 T305 K306 A307	Y259-D303 PolarHBondContact OH-O 3.17Å; L260-D303 HydrophobicContact CD1-CB 4.34Å; L260-D303 HydrophobicContact CD2-CB 3.91Å; N301-D303 PolarHBondContact O-N 3.07Å; N301-D303 PolarHBondContact OD1-N 3.23Å; N301-D303 VanDerWaalsContact OD1-N 3.12Å; D303-T305 VanDerWaalsContact C-N 3.34Å; D303-T305 PolarHBondContact O-N 3.01Å; D303-K306 WeakPolarHBondContact O-CB 3.46Å; D303-K306 PolarHBondContact O-N 2.89Å; D303-A307 PolarHBondContact O-N 3.08Å
304	I	95.1	Very high	92.3	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-65.7	-38.9	176.3	-60.4	-60.2	0	0	0	111.2	I249 L296 L297 N301 K306 A307 W308	I249-I304 HydrophobicContact CD1-CG2 3.86Å; I249-I304 HydrophobicContact CG2-CD1 3.89Å; I249-I304 HydrophobicContact CG2-CG2 4.32Å; L296-I304 HydrophobicContact CB-CB 4.45Å; L296-I304 HydrophobicContact CB-CG1 3.9Å; L296-I304 HydrophobicContact CB-CG2 4.37Å; L296-I304 HydrophobicContact CD1-CG1 4.24Å; L297-I304 HydrophobicContact CB-CG2 3.72Å; L297-I304 HydrophobicContact CD1-CG2 4.17Å; N301-I304 HydrophobicContact CB-CB 4.13Å; N301-I304 HydrophobicContact CB-CG1 4.16Å; N301-I304 PolarHBondContact O-N 2.82Å; N301-I304 WeakPolarHBondContact OD1-CG1 3.48Å; N301-I304 PolarHBondContact OD1-N 2.92Å; I304-K306 VanDerWaalsContact C-N 3.3Å; I304-K306 PolarHBondContact O-N 2.96Å; I304-A307 WeakPolarHBondContact O-CB 3.15Å; I304-A307 PolarHBondContact O-N 2.83Å; I304-W308 PolarHBondContact O-N 3.26Å
305	T	94.8	Very high	92.4	Very high	31 Å²	31	48.9 Å²	48.9	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-35.8	175.2	-55.7	0	0	0	0	111	N301 P302 D303 W308 K309	N301-T305 VanDerWaalsContact O-CB 3.28Å; N301-T305 WeakPolarHBondContact O-CB 3.32Å; N301-T305 PolarHBondContact O-N 2.68Å; N301-T305 PolarHBondContact O-OG1 3.11Å; P302-T305 PolarHBondContact O-N 3.04Å; D303-T305 VanDerWaalsContact C-N 3.34Å; D303-T305 PolarHBondContact O-N 3.01Å; T305-W308 HydrophobicContact CG2-CE3 4.34Å; T305-W308 PolarHBondContact O-N 2.98Å; T305-K309 WeakPolarHBondContact O-CG 3.28Å; T305-K309 PolarHBondContact O-N 3.31Å
306	K	95.1	Very high	92.6	Very high	99 Å²	99	46.7 Å²	46.7	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-43.9	174.2	-177.1	62.6	177.8	177.2	0	111.3	L260 P302 D303 I304 K309 L310	L260-K306 HydrophobicContact CD2-CB 4.25Å; L260-K306 HydrophobicContact CD2-CG 4.25Å; P302-K306 WeakPolarHBondContact O-CB 3.43Å; P302-K306 PolarHBondContact O-N 3.1Å; D303-K306 WeakPolarHBondContact O-CB 3.46Å; D303-K306 PolarHBondContact O-N 2.89Å; I304-K306 VanDerWaalsContact C-N 3.3Å; I304-K306 PolarHBondContact O-N 2.96Å; K306-K309 PolarHBondContact O-N 3.07Å; K306-L310 WeakPolarHBondContact O-CG 3.36Å; K306-L310 PolarHBondContact O-N 2.84Å; K306-L310 VanDerWaalsContact O-N 3.16Å
307	A	95	Very high	92.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.1	-48.8	172.8	0	0	0	0	0	111.8	I249 L252 Y259 D303 I304 K309 L310 I311	I249-A307 HydrophobicContact CG1-CB 4.11Å; I249-A307 HydrophobicContact CG2-CB 3.89Å; L252-A307 HydrophobicContact CD2-CB 3.66Å; Y259-A307 HydrophobicContact CD2-CB 4.03Å; Y259-A307 HydrophobicContact CE2-CB 3.52Å; D303-A307 PolarHBondContact O-N 3.08Å; I304-A307 WeakPolarHBondContact O-CB 3.15Å; I304-A307 PolarHBondContact O-N 2.83Å; A307-K309 PolarHBondContact O-N 2.76Å; A307-L310 PolarHBondContact O-N 3.48Å; A307-I311 WeakPolarHBondContact O-CG1 3Å; A307-I311 PolarHBondContact O-N 3.21Å; A307-I311 VanDerWaalsContact O-N 3.11Å
308	W	95.3	Very high	92.5	Very high	23 Å²	23	52.4 Å²	52.4	9%	0.087	27%	0.273	C	S	.	.	H	α-helix	trans	-57.6	-45.5	178.4	170.3	82.8	0	0	0	112.3	D240 F245 I249 L297 I304 T305 L310 I311 C312	D240-W308 HydrophobicContact CB-CZ2 4.16Å; D240-W308 PolarHBondContact O-NE1 2.96Å; F245-W308 AromaticContact CD1-CD1 3.41Å; F245-W308 VanDerWaalsContact CD1-CD1 3.41Å; F245-W308 AromaticContact CD1-NE1 3.96Å; F245-W308 AromaticContact CE1-CD1 3.5Å; F245-W308 AromaticContact CE1-NE1 3.67Å; F245-W308 AromaticContact CG-CD1 3.89Å; F245-W308 AromaticContact CZ-NE1 3.8Å; I249-W308 HydrophobicContact CD1-CB 4.14Å; L297-W308 HydrophobicContact CD1-CB 3.68Å; L297-W308 HydrophobicContact CD1-CD2 4.47Å; L297-W308 HydrophobicContact CD1-CG 3.91Å; L297-W308 HydrophobicContact CD2-CB 4.35Å; L297-W308 HydrophobicContact CD2-CG 4.16Å; I304-W308 PolarHBondContact O-N 3.26Å; T305-W308 HydrophobicContact CG2-CE3 4.34Å; T305-W308 PolarHBondContact O-N 2.98Å; W308-L310 PolarHBondContact O-N 3.21Å; W308-I311 PolarHBondContact O-N 3.46Å; W308-C312 PolarHBondContact NE1-SG 3.32Å; W308-C312 PolarHBondContact O-N 3.05Å; W308-C312 PolarHBondContact O-SG 3.46Å
309	K	94.2	Very high	92.9	Very high	106 Å²	106	49.7 Å²	49.7	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-47.9	177.2	-75.9	-180	178.8	177.6	0	112	T305 K306 A307 I311 C312 D313	T305-K309 WeakPolarHBondContact O-CG 3.28Å; T305-K309 PolarHBondContact O-N 3.31Å; K306-K309 PolarHBondContact O-N 3.07Å; A307-K309 PolarHBondContact O-N 2.76Å; K309-I311 VanDerWaalsContact C-N 3.31Å; K309-I311 PolarHBondContact O-N 3.12Å; K309-C312 PolarHBondContact O-N 3.36Å; K309-C312 VanDerWaalsContact O-N 3.15Å; K309-D313 WeakPolarHBondContact O-CB 3.41Å; K309-D313 PolarHBondContact O-N 3.5Å
310	L	93.4	Very high	93.3	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.11	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-41.3	179.2	-67.5	168.5	0	0	0	112.1	Y259 P264 K306 A307 W308 D313 V314	Y259-L310 HydrophobicContact CD2-CD1 4.17Å; Y259-L310 WeakPolarHBondContact O-CD1 3.43Å; P264-L310 HydrophobicContact CG-CD1 4.31Å; K306-L310 WeakPolarHBondContact O-CG 3.36Å; K306-L310 PolarHBondContact O-N 2.84Å; K306-L310 VanDerWaalsContact O-N 3.16Å; A307-L310 PolarHBondContact O-N 3.48Å; W308-L310 PolarHBondContact O-N 3.21Å; L310-D313 PolarHBondContact O-N 3.17Å; L310-V314 WeakPolarHBondContact O-CG2 3.25Å; L310-V314 PolarHBondContact O-N 3.47Å
311	I	92.7	Very high	93.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.2	-44.2	176.3	-67.3	162.8	0	0	0	110.8	A204 F245 L248 I249 L252 L269 A307 W308 K309 S315	A204-I311 HydrophobicContact CB-CG2 4.48Å; F245-I311 HydrophobicContact CD1-CG2 4.49Å; F245-I311 HydrophobicContact CE1-CG2 4.11Å; L248-I311 HydrophobicContact CB-CD1 3.98Å; L248-I311 HydrophobicContact CD1-CG2 4.36Å; I249-I311 HydrophobicContact CG1-CD1 3.88Å; L252-I311 HydrophobicContact CD2-CD1 4.37Å; L252-I311 HydrophobicContact CD2-CG1 4.49Å; L269-I311 HydrophobicContact CD1-CG2 4.34Å; A307-I311 WeakPolarHBondContact O-CG1 3Å; A307-I311 PolarHBondContact O-N 3.21Å; A307-I311 VanDerWaalsContact O-N 3.11Å; W308-I311 PolarHBondContact O-N 3.46Å; K309-I311 VanDerWaalsContact C-N 3.31Å; K309-I311 PolarHBondContact O-N 3.12Å; I311-S315 PolarHBondContact O-N 3.24Å
312	C	93.6	Very high	93.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-40.9	177.8	-64.5	0	0	0	0	111.6	I203 W308 K309 V314 S315 R316	I203-C312 HydrophobicContact CG2-CB 4.46Å; W308-C312 PolarHBondContact NE1-SG 3.32Å; W308-C312 PolarHBondContact O-N 3.05Å; W308-C312 PolarHBondContact O-SG 3.46Å; K309-C312 PolarHBondContact O-N 3.36Å; K309-C312 VanDerWaalsContact O-N 3.15Å; C312-V314 VanDerWaalsContact C-N 3.29Å; C312-V314 PolarHBondContact O-N 3Å; C312-S315 WeakPolarHBondContact O-CB 3.46Å; C312-S315 PolarHBondContact O-N 2.83Å; C312-S315 VanDerWaalsContact O-N 3.09Å; C312-R316 WeakPolarHBondContact O-CG 3.45Å; C312-R316 PolarHBondContact O-N 3.46Å
313	D	92.4	Very high	93.3	Very high	65 Å²	65	44.1 Å²	44.1	35%	0.348	21%	0.21	S	C	.	.	H	α-helix	trans	-61.1	-37.4	-178.4	-67.8	-19.9	0	0	0	112.1	K309 L310 R316 Q317	K309-D313 WeakPolarHBondContact O-CB 3.41Å; K309-D313 PolarHBondContact O-N 3.5Å; L310-D313 PolarHBondContact O-N 3.17Å; D313-R316 PolarHBondContact O-N 3.32Å; D313-R316 IonicContact OD1-CZ 2.97Å; D313-R316 IonicContact OD1-NH1 3.2Å; D313-R316 PolarHBondContact OD1-NH1 3.22Å; D313-Q317 VanDerWaalsContact O-CG 3.32Å; D313-Q317 WeakPolarHBondContact O-CG 3.39Å; D313-Q317 PolarHBondContact O-N 3.08Å
314	V	91.4	Very high	93.4	Very high	21 Å²	21	46.2 Å²	46.2	13%	0.127	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-43.5	174.2	177.1	0	0	0	0	111.2	I266 L269 L310 C312 Q317 E318	I266-V314 HydrophobicContact CB-CG2 4.12Å; I266-V314 HydrophobicContact CD1-CG2 4.47Å; I266-V314 HydrophobicContact CG2-CG1 4.33Å; L269-V314 HydrophobicContact CB-CG1 4.39Å; L269-V314 HydrophobicContact CD2-CG1 4.46Å; L310-V314 WeakPolarHBondContact O-CG2 3.25Å; L310-V314 PolarHBondContact O-N 3.47Å; C312-V314 VanDerWaalsContact C-N 3.29Å; C312-V314 PolarHBondContact O-N 3Å; V314-Q317 PolarHBondContact O-N 3.43Å; V314-E318 PolarHBondContact O-N 3.37Å
315	S	90.6	Very high	93.3	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-44.7	174.1	-69.3	0	0	0	0	112	I203 A204 L269 I311 C312 Q317 E318 F319	I203-S315 WeakPolarHBondContact CG2-OG 3.45Å; A204-S315 PolarHBondContact N-OG 2.82Å; L269-S315 WeakPolarHBondContact CD2-OG 3.25Å; I311-S315 PolarHBondContact O-N 3.24Å; C312-S315 WeakPolarHBondContact O-CB 3.46Å; C312-S315 PolarHBondContact O-N 2.83Å; C312-S315 VanDerWaalsContact O-N 3.09Å; S315-Q317 VanDerWaalsContact C-N 3.31Å; S315-Q317 PolarHBondContact O-N 3.47Å; S315-E318 PolarHBondContact O-N 3.05Å; S315-E318 VanDerWaalsContact O-N 3.16Å; S315-F319 VanDerWaalsContact O-CG 3.24Å; S315-F319 WeakPolarHBondContact O-CG 3.42Å; S315-F319 PolarHBondContact O-N 2.96Å
316	R	91.8	Very high	93.3	Very high	51 Å²	51	45.8 Å²	45.8	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-41.6	-179.7	-73.2	174.1	-173.9	125.4	6.1	111.6	C312 D313 E318 F319 N320 E332	C312-R316 WeakPolarHBondContact O-CG 3.45Å; C312-R316 PolarHBondContact O-N 3.46Å; D313-R316 PolarHBondContact O-N 3.32Å; D313-R316 IonicContact OD1-CZ 2.97Å; D313-R316 IonicContact OD1-NH1 3.2Å; D313-R316 PolarHBondContact OD1-NH1 3.22Å; R316-E318 VanDerWaalsContact C-N 3.32Å; R316-E318 PolarHBondContact O-N 3.48Å; R316-F319 PolarHBondContact O-N 3.29Å; R316-N320 WeakPolarHBondContact O-CB 3.32Å; R316-N320 PolarHBondContact O-N 2.83Å; R316-N320 PolarHBondContact O-ND2 3.5Å; R316-N320 PolarHBondContact O-OD1 3.2Å; R316-E332 WeakPolarHBondContact CD-OE2 3.33Å; R316-E332 WeakPolarHBondContact CG-OE2 3.35Å; R316-E332 IonicContact CZ-OE1 2.86Å; R316-E332 VanDerWaalsContact CZ-OE1 3.26Å; R316-E332 IonicContact CZ-OE2 2.76Å; R316-E332 VanDerWaalsContact NE-CD 3.28Å; R316-E332 IonicContact NE-OE1 2.96Å; R316-E332 PolarHBondContact NE-OE1 3.5Å; R316-E332 IonicContact NE-OE2 3.91Å; R316-E332 PolarHBondContact NE-OE2 2.86Å; R316-E332 IonicContact NH2-OE1 2.74Å; R316-E332 PolarHBondContact NH2-OE1 2.79Å
317	Q	91.4	Very high	93.4	Very high	125 Å²	125	45.7 Å²	45.7	58%	0.584	23%	0.226	S	C	*	.	H	α-helix	trans	-59.9	-41.4	176.3	-74.1	174.6	11.4	0	0	112.2	D313 V314 S315 K321	D313-Q317 VanDerWaalsContact O-CG 3.32Å; D313-Q317 WeakPolarHBondContact O-CG 3.39Å; D313-Q317 PolarHBondContact O-N 3.08Å; V314-Q317 PolarHBondContact O-N 3.43Å; S315-Q317 VanDerWaalsContact C-N 3.31Å; S315-Q317 PolarHBondContact O-N 3.47Å; Q317-K321 WeakPolarHBondContact O-CG 3.27Å; Q317-K321 PolarHBondContact O-N 3.32Å
318	E	89.8	Confident	93.5	Very high	78 Å²	78	46.5 Å²	46.5	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-70.5	-39.4	175.9	-66	-54.3	139.4	0	0	112.6	V314 S315 R316 K321	V314-E318 PolarHBondContact O-N 3.37Å; S315-E318 PolarHBondContact O-N 3.05Å; S315-E318 VanDerWaalsContact O-N 3.16Å; R316-E318 VanDerWaalsContact C-N 3.32Å; R316-E318 PolarHBondContact O-N 3.48Å; E318-K321 PolarHBondContact O-N 2.98Å; E318-K321 IonicContact OE1-NZ 3.27Å; E318-K321 PolarHBondContact OE1-NZ 3.42Å; E318-K321 IonicContact OE2-NZ 2.7Å; E318-K321 PolarHBondContact OE2-NZ 3.37Å
319	F	92.5	Very high	93.5	Very high	12 Å²	12	49 Å²	49	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-40	176.5	-61.3	-19.2	0	0	0	112.1	P201 I203 M207 S315 R316 K321 I322 Y323	P201-F319 HydrophobicContact CB-CE1 4.34Å; P201-F319 HydrophobicContact CB-CE2 4.12Å; P201-F319 HydrophobicContact CB-CZ 3.88Å; P201-F319 HydrophobicContact CG-CD2 3.85Å; P201-F319 HydrophobicContact CG-CE1 4.28Å; P201-F319 HydrophobicContact CG-CE2 3.5Å; P201-F319 HydrophobicContact CG-CG 4.36Å; P201-F319 HydrophobicContact CG-CZ 3.76Å; I203-F319 HydrophobicContact CD1-CD2 4.41Å; I203-F319 HydrophobicContact CD1-CE2 3.69Å; M207-F319 HydrophobicContact CB-CD1 4.38Å; M207-F319 HydrophobicContact CB-CE1 4.06Å; S315-F319 VanDerWaalsContact O-CG 3.24Å; S315-F319 WeakPolarHBondContact O-CG 3.42Å; S315-F319 PolarHBondContact O-N 2.96Å; R316-F319 PolarHBondContact O-N 3.29Å; F319-K321 VanDerWaalsContact C-N 3.31Å; F319-K321 PolarHBondContact O-N 3.34Å; F319-I322 WeakPolarHBondContact O-CA 3.43Å; F319-I322 WeakPolarHBondContact O-CB 3.44Å; F319-I322 PolarHBondContact O-N 3.48Å; F319-Y323 HydrophobicContact CB-CD2 4.31Å; F319-Y323 HydrophobicContact CB-CE2 3.71Å; F319-Y323 VanDerWaalsContact O-CD2 3.32Å; F319-Y323 WeakPolarHBondContact O-CD2 3.43Å; F319-Y323 PolarHBondContact O-N 3Å
320	N	93.9	Very high	93.6	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-37.5	178.3	-73.4	-11.4	0	0	0	112.2	R316 I322 Y323 D324	R316-N320 WeakPolarHBondContact O-CB 3.32Å; R316-N320 PolarHBondContact O-N 2.83Å; R316-N320 PolarHBondContact O-ND2 3.5Å; R316-N320 PolarHBondContact O-OD1 3.2Å; N320-I322 PolarHBondContact O-N 2.89Å; N320-Y323 PolarHBondContact O-N 3.41Å; N320-D324 WeakPolarHBondContact O-CB 3.3Å; N320-D324 PolarHBondContact O-N 3.1Å
321	K	92.9	Very high	93.8	Very high	96 Å²	96	49.1 Å²	49.1	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-57.5	-38.7	173.4	-66	173	-165.5	167	0	112.2	Q317 E318 F319 A325 M463	Q317-K321 WeakPolarHBondContact O-CG 3.27Å; Q317-K321 PolarHBondContact O-N 3.32Å; E318-K321 PolarHBondContact O-N 2.98Å; E318-K321 IonicContact OE1-NZ 3.27Å; E318-K321 PolarHBondContact OE1-NZ 3.42Å; E318-K321 IonicContact OE2-NZ 2.7Å; E318-K321 PolarHBondContact OE2-NZ 3.37Å; F319-K321 VanDerWaalsContact C-N 3.31Å; F319-K321 PolarHBondContact O-N 3.34Å; K321-A325 WeakPolarHBondContact O-CB 3.36Å; K321-A325 PolarHBondContact O-N 3.47Å; K321-M463 HydrophobicContact CB-CE 4.39Å; K321-M463 HydrophobicContact CB-SD 4.23Å
322	I	93.3	Very high	94.1	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-71.1	-45.9	177.7	-60.9	167.5	0	0	0	109.8	M207 F319 N320 A325 L326 L462 M463 M466	M207-I322 HydrophobicContact CB-CD1 4.42Å; M207-I322 HydrophobicContact SD-CD1 3.99Å; M207-I322 HydrophobicContact SD-CG2 4.42Å; F319-I322 WeakPolarHBondContact O-CA 3.43Å; F319-I322 WeakPolarHBondContact O-CB 3.44Å; F319-I322 PolarHBondContact O-N 3.48Å; N320-I322 PolarHBondContact O-N 2.89Å; I322-A325 PolarHBondContact O-N 3.43Å; I322-L326 HydrophobicContact CG2-CD1 3.84Å; I322-L326 HydrophobicContact CG2-CG 4.49Å; I322-L326 WeakPolarHBondContact O-CB 3.36Å; I322-L326 WeakPolarHBondContact O-CG 3.47Å; I322-L326 PolarHBondContact O-N 2.85Å; I322-L462 HydrophobicContact CD1-CB 4.08Å; I322-L462 HydrophobicContact CD1-CD1 4.28Å; I322-M463 HydrophobicContact CG1-CG 4.28Å; I322-M463 HydrophobicContact CG1-SD 3.83Å; I322-M466 HydrophobicContact CG2-SD 4.33Å
323	Y	96.3	Very high	94.3	Very high	11 Å²	11	54.3 Å²	54.3	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-41.8	179.9	-59.9	-35.9	0	0	0	112.6	S199 M207 T215 N236 F319 N320 A325 L326 D327 V328 L330	S199-Y323 WeakPolarHBondContact OG-CE1 3.36Å; S199-Y323 PolarHBondContact OG-OH 3.38Å; M207-Y323 HydrophobicContact CE-CE1 4.37Å; T215-Y323 HydrophobicContact CG2-CD1 4.28Å; T215-Y323 HydrophobicContact CG2-CE1 4.16Å; N236-Y323 PolarHBondContact ND2-OH 3.27Å; N236-Y323 VanDerWaalsContact ND2-OH 3.13Å; F319-Y323 HydrophobicContact CB-CD2 4.31Å; F319-Y323 HydrophobicContact CB-CE2 3.71Å; F319-Y323 VanDerWaalsContact O-CD2 3.32Å; F319-Y323 WeakPolarHBondContact O-CD2 3.43Å; F319-Y323 PolarHBondContact O-N 3Å; N320-Y323 PolarHBondContact O-N 3.41Å; Y323-A325 PolarHBondContact O-N 3.49Å; Y323-L326 CarbonylContact O-C 3.42Å; Y323-L326 PolarHBondContact O-N 3.24Å; Y323-D327 PolarHBondContact O-N 3.48Å; Y323-V328 HydrophobicContact CD1-CB 4.18Å; Y323-V328 HydrophobicContact CD1-CG1 4.11Å; Y323-V328 HydrophobicContact CG-CB 4.49Å; Y323-V328 PolarHBondContact O-N 3.2Å; Y323-L330 HydrophobicContact CD1-CD1 4.07Å; Y323-L330 HydrophobicContact CD2-CD1 4.35Å; Y323-L330 HydrophobicContact CE1-CD1 3.76Å; Y323-L330 HydrophobicContact CE2-CD1 4.01Å; Y323-L330 HydrophobicContact CG-CD1 4.39Å
324	D	95.6	Very high	94.4	Very high	128 Å²	128	51.3 Å²	51.3	68%	0.684	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-45.6	175.6	-70.5	-21.6	0	0	0	111.2	N320 L326 D327	N320-D324 WeakPolarHBondContact O-CB 3.3Å; N320-D324 PolarHBondContact O-N 3.1Å; D324-L326 VanDerWaalsContact C-N 3.3Å; D324-L326 PolarHBondContact O-N 2.94Å; D324-D327 PolarHBondContact O-N 3.36Å
325	A	93	Very high	94.5	Very high	27 Å²	27	51.2 Å²	51.2	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-31.9	179.5	0	0	0	0	0	112.5	K321 I322 Y323 M466 Y500	K321-A325 WeakPolarHBondContact O-CB 3.36Å; K321-A325 PolarHBondContact O-N 3.47Å; I322-A325 PolarHBondContact O-N 3.43Å; Y323-A325 PolarHBondContact O-N 3.49Å; A325-M466 HydrophobicContact CB-CE 3.3Å; A325-Y500 HydrophobicContact CB-CE2 4.32Å; A325-Y500 WeakPolarHBondContact O-CD2 3.33Å; A325-Y500 WeakPolarHBondContact O-CE2 3.26Å
326	L	94.8	Very high	94.6	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-89.1	1.1	174.8	-64.7	176.2	0	0	0	113.5	L212 T215 I322 Y323 D324 V328 M466 K504	L212-L326 HydrophobicContact CD1-CD1 3.49Å; L212-L326 VanDerWaalsContact CD1-CD1 3.49Å; T215-L326 HydrophobicContact CG2-CD1 4.3Å; I322-L326 HydrophobicContact CG2-CD1 3.84Å; I322-L326 HydrophobicContact CG2-CG 4.49Å; I322-L326 WeakPolarHBondContact O-CB 3.36Å; I322-L326 WeakPolarHBondContact O-CG 3.47Å; I322-L326 PolarHBondContact O-N 2.85Å; Y323-L326 CarbonylContact O-C 3.42Å; Y323-L326 PolarHBondContact O-N 3.24Å; D324-L326 VanDerWaalsContact C-N 3.3Å; D324-L326 PolarHBondContact O-N 2.94Å; L326-V328 VanDerWaalsContact C-N 3.33Å; L326-V328 HydrophobicContact CB-CG2 3.69Å; L326-V328 PolarHBondContact O-N 3.02Å; L326-M466 HydrophobicContact CD2-CE 3.88Å; L326-M466 HydrophobicContact CG-CE 3.98Å; L326-K504 WeakPolarHBondContact O-CE 3.47Å; L326-K504 PolarHBondContact O-NZ 3.14Å
327	D	96.8	Very high	94.8	Very high	97 Å²	97	53.7 Å²	53.7	52%	0.519	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	49.4	-175.8	-170.5	46.1	0	0	0	112.4	R223 Y323 D324	R223-D327 IonicContact CZ-OD2 3.18Å; R223-D327 IonicContact NH1-OD2 2.66Å; R223-D327 PolarHBondContact NH2-O 2.91Å; R223-D327 IonicContact NH2-OD2 3.97Å; R223-D327 PolarHBondContact NH2-OD2 3.27Å; Y323-D327 PolarHBondContact O-N 3.48Å; D324-D327 PolarHBondContact O-N 3.36Å
328	V	97.6	Very high	95	Very high	17 Å²	17	47.7 Å²	47.7	10%	0.103	25%	0.249	C	C	.	.			trans	-106.7	126.6	-178	175	0	0	0	0	109.4	F198 T215 E219 Y323 L326 L330	F198-V328 HydrophobicContact CE2-CG1 4.04Å; F198-V328 HydrophobicContact CZ-CG1 4.33Å; T215-V328 HydrophobicContact CG2-CG1 4.23Å; T215-V328 HydrophobicContact CG2-CG2 3.84Å; E219-V328 HydrophobicContact CB-CG2 4.31Å; E219-V328 HydrophobicContact CG-CG2 4.21Å; Y323-V328 HydrophobicContact CD1-CB 4.18Å; Y323-V328 HydrophobicContact CD1-CG1 4.11Å; Y323-V328 HydrophobicContact CG-CB 4.49Å; Y323-V328 PolarHBondContact O-N 3.2Å; L326-V328 VanDerWaalsContact C-N 3.33Å; L326-V328 HydrophobicContact CB-CG2 3.69Å; L326-V328 PolarHBondContact O-N 3.02Å; V328-L330 HydrophobicContact CG1-CD1 3.65Å; V328-L330 HydrophobicContact CG1-CG 3.75Å
329	S	96.1	Very high	95	Very high	75 Å²	75	45.2 Å²	45.2	52%	0.524	24%	0.237	S	C	.	.			trans	-102	130.3	172.3	-171	0	0	0	0	109.4	R234	R234-S329 WeakPolarHBondContact CD-O 3.24Å
330	L	96.3	Very high	94.9	Very high	37 Å²	37	48.5 Å²	48.5	19%	0.194	26%	0.255	C	S	.	.			trans	-142.9	142.7	-176.6	-83.4	166.9	0	0	0	110.8	F198 R234 N236 Y323 V328	F198-L330 HydrophobicContact CD1-CD2 4.09Å; F198-L330 HydrophobicContact CD2-CD2 4.33Å; F198-L330 HydrophobicContact CE1-CD2 3.51Å; F198-L330 HydrophobicContact CE2-CD1 4.37Å; F198-L330 HydrophobicContact CE2-CD2 3.76Å; F198-L330 HydrophobicContact CE2-CG 4.26Å; F198-L330 HydrophobicContact CG-CD2 4.48Å; F198-L330 HydrophobicContact CZ-CD2 3.32Å; F198-L330 HydrophobicContact CZ-CG 4.01Å; R234-L330 HydrophobicContact CB-CD2 4.24Å; N236-L330 HydrophobicContact CB-CB 4.16Å; N236-L330 HydrophobicContact CB-CD1 4.16Å; N236-L330 HydrophobicContact CB-CD2 4.03Å; N236-L330 HydrophobicContact CB-CG 4.34Å; Y323-L330 HydrophobicContact CD1-CD1 4.07Å; Y323-L330 HydrophobicContact CD2-CD1 4.35Å; Y323-L330 HydrophobicContact CE1-CD1 3.76Å; Y323-L330 HydrophobicContact CE2-CD1 4.01Å; Y323-L330 HydrophobicContact CG-CD1 4.39Å; V328-L330 HydrophobicContact CG1-CD1 3.65Å; V328-L330 HydrophobicContact CG1-CG 3.75Å
331	I	98.3	Very high	94.9	Very high	92 Å²	92	47.8 Å²	47.8	47%	0.472	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.7	167	-66	167.8	0	0	0	107.7	L233 R234 N236 R333	L233-I331 HydrophobicContact CD1-CD1 3.58Å; R234-I331 WeakPolarHBondContact O-CB 3.44Å; R234-I331 PolarHBondContact O-N 2.91Å; N236-I331 PolarHBondContact N-O 3.34Å; I331-R333 PolarHBondContact O-N 3.18Å
332	E	97.5	Very high	94.9	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.35	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	123.3	178.7	-169.8	-175.2	137.9	0	0	111.2	V238 R316	V238-E332 HydrophobicContact CG1-CG 4.19Å; V238-E332 HydrophobicContact CG2-CG 3.71Å; R316-E332 WeakPolarHBondContact CD-OE2 3.33Å; R316-E332 WeakPolarHBondContact CG-OE2 3.35Å; R316-E332 IonicContact CZ-OE1 2.86Å; R316-E332 VanDerWaalsContact CZ-OE1 3.26Å; R316-E332 IonicContact CZ-OE2 2.76Å; R316-E332 VanDerWaalsContact NE-CD 3.28Å; R316-E332 IonicContact NE-OE1 2.96Å; R316-E332 PolarHBondContact NE-OE1 3.5Å; R316-E332 IonicContact NE-OE2 3.91Å; R316-E332 PolarHBondContact NE-OE2 2.86Å; R316-E332 IonicContact NH2-OE1 2.74Å; R316-E332 PolarHBondContact NH2-OE1 2.79Å
333	R	97.4	Very high	94.8	Very high	35 Å²	35	46.4 Å²	46.4	13%	0.132	24%	0.244	C	C	.	.			trans	-149.7	76.2	173.2	-163.7	-176.5	-66.9	177.6	0.3	109.9	L235 N236 H237 I331 F337 Y338 E399	L235-R333 HydrophobicContact CD2-CB 4.2Å; N236-R333 CarbonylContact O-C 3.58Å; N236-R333 PolarHBondContact O-N 3.26Å; H237-R333 PolarHBondContact ND1-O 2.86Å; H237-R333 VanDerWaalsContact ND1-O 3.08Å; I331-R333 PolarHBondContact O-N 3.18Å; R333-F337 HydrophobicContact CG-CB 3.76Å; R333-F337 HydrophobicContact CG-CD1 3.67Å; R333-F337 HydrophobicContact CG-CD2 4.1Å; R333-F337 HydrophobicContact CG-CE1 4.27Å; R333-F337 HydrophobicContact CG-CG 3.56Å; R333-Y338 VanDerWaalsContact CD-OH 3.22Å; R333-Y338 WeakPolarHBondContact CD-OH 3.36Å; R333-Y338 HydrophobicContact CG-CE2 4.3Å; R333-E399 IonicContact CZ-OE1 2.74Å; R333-E399 VanDerWaalsContact CZ-OE1 3.32Å; R333-E399 IonicContact NH1-OE1 3.95Å; R333-E399 PolarHBondContact NH1-OE1 3.04Å; R333-E399 IonicContact NH2-OE1 2.9Å; R333-E399 PolarHBondContact NH2-OE1 3.02Å
334	G	94.7	Very high	94.8	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.021	27%	0.268	C	S	.	.			trans	-69.4	-179.7	178.6	0	0	0	0	0	114.5	V238 S336 F337 Y338	V238-G334 WeakPolarHBondContact O-CA 3.24Å; G334-S336 PolarHBondContact O-N 2.86Å; G334-F337 WeakPolarHBondContact O-CB 3.19Å; G334-F337 PolarHBondContact O-N 2.91Å; G334-Y338 VanDerWaalsContact O-CD2 3.3Å; G334-Y338 WeakPolarHBondContact O-CD2 3.34Å; G334-Y338 VanDerWaalsContact O-CE2 3.24Å; G334-Y338 WeakPolarHBondContact O-CE2 3.4Å
335	E	94.1	Very high	94.8	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.084	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-54.6	-34.3	176.4	-67.4	169.2	-148.2	0	0	112.3	V238 D240 W241 F337 Y338 Y384	V238-E335 PolarHBondContact O-N 2.87Å; D240-E335 PolarHBondContact OD1-N 2.94Å; W241-E335 HydrophobicContact CB-CB 3.55Å; E335-F337 PolarHBondContact O-N 3.48Å; E335-Y338 PolarHBondContact O-N 2.93Å; E335-Y384 WeakPolarHBondContact OE1-CE1 3.43Å
336	S	93.3	Very high	94.9	Very high	26 Å²	26	43.9 Å²	43.9	18%	0.182	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32.7	-179.7	70.5	0	0	0	0	113.4	D240 G334 Y338 Q339	D240-S336 VanDerWaalsContact CG-OG 3.27Å; D240-S336 WeakPolarHBondContact OD1-CB 3.33Å; D240-S336 PolarHBondContact OD1-N 2.91Å; D240-S336 PolarHBondContact OD1-OG 2.9Å; D240-S336 VanDerWaalsContact OD2-CB 3.23Å; D240-S336 WeakPolarHBondContact OD2-CB 3.44Å; D240-S336 PolarHBondContact OD2-OG 3.16Å; G334-S336 PolarHBondContact O-N 2.86Å; S336-Y338 PolarHBondContact O-N 3.31Å; S336-Q339 WeakPolarHBondContact O-CB 3.42Å; S336-Q339 PolarHBondContact O-N 3.07Å
337	F	95.9	Very high	95	Very high	82 Å²	82	49.5 Å²	49.5	36%	0.36	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-63.3	-27.7	178.8	179.7	-94.3	0	0	0	112.6	R333 G334 E335 R341 Q394	R333-F337 HydrophobicContact CG-CB 3.76Å; R333-F337 HydrophobicContact CG-CD1 3.67Å; R333-F337 HydrophobicContact CG-CD2 4.1Å; R333-F337 HydrophobicContact CG-CE1 4.27Å; R333-F337 HydrophobicContact CG-CG 3.56Å; G334-F337 WeakPolarHBondContact O-CB 3.19Å; G334-F337 PolarHBondContact O-N 2.91Å; E335-F337 PolarHBondContact O-N 3.48Å; F337-R341 VanDerWaalsContact CE1-NH1 3.33Å; F337-R341 PolarHBondContact O-NH1 3.49Å; F337-Q394 HydrophobicContact CE1-CG 4.31Å
338	Y	94.9	Very high	95.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-95.8	-1.2	-174.6	-51.5	-81.3	0	0	0	113.1	H237 R333 G334 E335 S336 D340 R341 M342 A391 Q394	H237-Y338 AromaticContact CE1-CD2 3.91Å; H237-Y338 AromaticContact CE1-CE2 3.44Å; H237-Y338 VanDerWaalsContact CE1-CE2 3.44Å; H237-Y338 WeakPolarHBondContact CE1-CE2 3.44Å; H237-Y338 AromaticContact ND1-CE2 3.72Å; R333-Y338 VanDerWaalsContact CD-OH 3.22Å; R333-Y338 WeakPolarHBondContact CD-OH 3.36Å; R333-Y338 HydrophobicContact CG-CE2 4.3Å; G334-Y338 VanDerWaalsContact O-CD2 3.3Å; G334-Y338 WeakPolarHBondContact O-CD2 3.34Å; G334-Y338 VanDerWaalsContact O-CE2 3.24Å; G334-Y338 WeakPolarHBondContact O-CE2 3.4Å; E335-Y338 PolarHBondContact O-N 2.93Å; S336-Y338 PolarHBondContact O-N 3.31Å; Y338-D340 VanDerWaalsContact C-N 3.31Å; Y338-D340 PolarHBondContact O-N 2.69Å; Y338-R341 CarbonylContact O-C 3.58Å; Y338-R341 PolarHBondContact O-N 3.33Å; Y338-M342 WeakPolarHBondContact O-CG 3.3Å; Y338-M342 PolarHBondContact O-N 3.41Å; Y338-A391 HydrophobicContact CD1-CB 4.17Å; Y338-A391 HydrophobicContact CD2-CB 4.3Å; Y338-A391 VanDerWaalsContact CE1-CA 3.49Å; Y338-A391 HydrophobicContact CE1-CB 3.79Å; Y338-A391 HydrophobicContact CE2-CB 3.94Å; Y338-A391 HydrophobicContact CG-CB 4.4Å; Y338-Q394 HydrophobicContact CD1-CB 4.28Å; Y338-Q394 HydrophobicContact CE1-CB 3.91Å; Y338-Q394 HydrophobicContact CE1-CG 4.08Å
339	Q	89.6	Confident	95.1	Very high	25 Å²	25	45.8 Å²	45.8	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-46.9	-50.8	-177.1	-176.8	-159.4	-20.9	0	0	113.4	W241 Q298 S336 R341 M342 N343	W241-Q339 HydrophobicContact CH2-CG 4.45Å; W241-Q339 HydrophobicContact CZ2-CB 4.1Å; W241-Q339 HydrophobicContact CZ2-CG 3.58Å; Q298-Q339 PolarHBondContact O-NE2 3.44Å; S336-Q339 WeakPolarHBondContact O-CB 3.42Å; S336-Q339 PolarHBondContact O-N 3.07Å; Q339-R341 VanDerWaalsContact C-N 3.34Å; Q339-M342 HydrophobicContact CB-CE 4.44Å; Q339-N343 PolarHBondContact O-ND2 3.46Å
340	D	90.6	Very high	95.1	Very high	82 Å²	82	46 Å²	46	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-67.2	-40.2	-177.2	-67.2	-30.8	0	0	0	111.3	K300 Y338 N343	K300-D340 WeakPolarHBondContact CE-OD1 3.38Å; K300-D340 IonicContact NZ-OD1 3.32Å; K300-D340 PolarHBondContact NZ-OD1 3.21Å; K300-D340 IonicContact NZ-OD2 3.52Å; K300-D340 PolarHBondContact NZ-OD2 3.23Å; Y338-D340 VanDerWaalsContact C-N 3.31Å; Y338-D340 PolarHBondContact O-N 2.69Å; D340-N343 PolarHBondContact O-ND2 3.4Å
341	R	94.3	Very high	95.2	Very high	67 Å²	67	50 Å²	50	25%	0.253	25%	0.245	S	C	.	.	H	α-helix	trans	-72	-27.9	-177.9	-63.8	175.9	175.5	87	-7	112.7	F337 Y338 Q339 N343 D344 I345 E398	F337-R341 VanDerWaalsContact CE1-NH1 3.33Å; F337-R341 PolarHBondContact O-NH1 3.49Å; Y338-R341 CarbonylContact O-C 3.58Å; Y338-R341 PolarHBondContact O-N 3.33Å; Q339-R341 VanDerWaalsContact C-N 3.34Å; R341-N343 PolarHBondContact O-N 2.99Å; R341-D344 WeakPolarHBondContact O-CB 3.41Å; R341-D344 PolarHBondContact O-N 2.64Å; R341-I345 WeakPolarHBondContact O-CG1 3.5Å; R341-I345 PolarHBondContact O-N 2.66Å; R341-E398 IonicContact CZ-OE1 2.83Å; R341-E398 IonicContact CZ-OE2 2.87Å; R341-E398 IonicContact NE-OE1 3.61Å; R341-E398 PolarHBondContact NE-OE1 3.08Å; R341-E398 IonicContact NE-OE2 2.68Å; R341-E398 IonicContact NH2-OE1 2.75Å; R341-E398 PolarHBondContact NH2-OE1 3.42Å; R341-E398 VanDerWaalsContact NH2-OE1 3.1Å; R341-E398 IonicContact NH2-OE2 3.17Å; R341-E398 PolarHBondContact NH2-OE2 3.19Å
342	M	92.6	Very high	95.1	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-36.2	178.4	-77.1	-167.1	-75.2	0	0	112.1	Y338 Q339 D344 I345 V346 Y382 T386 A390	Y338-M342 WeakPolarHBondContact O-CG 3.3Å; Y338-M342 PolarHBondContact O-N 3.41Å; Q339-M342 HydrophobicContact CB-CE 4.44Å; M342-D344 VanDerWaalsContact C-N 3.32Å; M342-D344 PolarHBondContact O-N 3.44Å; M342-I345 PolarHBondContact O-N 2.84Å; M342-V346 WeakPolarHBondContact O-CG2 3.32Å; M342-V346 PolarHBondContact O-N 3.09Å; M342-V346 VanDerWaalsContact O-N 3.11Å; M342-Y382 HydrophobicContact CB-CD2 3.83Å; M342-Y382 HydrophobicContact CB-CE2 3.91Å; M342-Y382 HydrophobicContact CB-CG 4.29Å; M342-Y382 HydrophobicContact CE-CD2 3.89Å; M342-Y382 HydrophobicContact CE-CG 4.44Å; M342-Y382 HydrophobicContact SD-CD2 4.05Å; M342-Y382 HydrophobicContact SD-CG 4.11Å; M342-T386 HydrophobicContact CB-CG2 3.89Å; M342-T386 HydrophobicContact CG-CG2 3.94Å; M342-T386 HydrophobicContact SD-CG2 3.95Å; M342-A390 HydrophobicContact CG-CB 3.85Å
343	N	92.1	Very high	95	Very high	74 Å²	74	52.9 Å²	52.9	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.1	-53.3	-65.5	0	0	0	111.4	Q339 D340 R341 I345 V346 K347 Y382	Q339-N343 PolarHBondContact O-ND2 3.46Å; D340-N343 PolarHBondContact O-ND2 3.4Å; R341-N343 PolarHBondContact O-N 2.99Å; N343-I345 VanDerWaalsContact C-N 3.35Å; N343-V346 PolarHBondContact O-N 3.33Å; N343-K347 WeakPolarHBondContact O-CB 3.4Å; N343-K347 PolarHBondContact O-N 3.44Å; N343-K347 VanDerWaalsContact O-N 3.08Å; N343-Y382 WeakPolarHBondContact CA-OH 3.21Å; N343-Y382 WeakPolarHBondContact OD1-CE2 3.36Å; N343-Y382 PolarHBondContact OD1-OH 2.86Å
344	D	95.3	Very high	94.9	Very high	103 Å²	103	54.7 Å²	54.7	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-68.5	-35.3	-179	-62.5	-30.3	0	0	0	111.7	R341 M342 E348	R341-D344 WeakPolarHBondContact O-CB 3.41Å; R341-D344 PolarHBondContact O-N 2.64Å; M342-D344 VanDerWaalsContact C-N 3.32Å; M342-D344 PolarHBondContact O-N 3.44Å; D344-E348 WeakPolarHBondContact O-CB 3.32Å; D344-E348 PolarHBondContact O-N 3.02Å
345	I	96.3	Very high	95.1	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-52.1	173.9	-63.2	-52.2	0	0	0	110.7	R341 M342 N343 K347 E348 F349 L389 A390 K393 W428	R341-I345 WeakPolarHBondContact O-CG1 3.5Å; R341-I345 PolarHBondContact O-N 2.66Å; M342-I345 PolarHBondContact O-N 2.84Å; N343-I345 VanDerWaalsContact C-N 3.35Å; I345-K347 VanDerWaalsContact C-N 3.26Å; I345-K347 PolarHBondContact O-N 3.12Å; I345-E348 PolarHBondContact O-N 3.08Å; I345-E348 VanDerWaalsContact O-N 3.11Å; I345-F349 HydrophobicContact CG2-CD2 3.84Å; I345-F349 HydrophobicContact CG2-CE2 3.84Å; I345-F349 WeakPolarHBondContact O-CD2 3.13Å; I345-F349 PolarHBondContact O-N 3.25Å; I345-L389 HydrophobicContact CG2-CB 3.96Å; I345-A390 HydrophobicContact CG1-CB 3.73Å; I345-K393 HydrophobicContact CD1-CB 4.03Å; I345-K393 HydrophobicContact CD1-CD 3.28Å; I345-K393 HydrophobicContact CD1-CG 4.28Å; I345-W428 HydrophobicContact CD1-CH2 3.87Å; I345-W428 HydrophobicContact CD1-CZ2 3.94Å; I345-W428 HydrophobicContact CG2-CH2 4.27Å
346	V	95.2	Very high	95.1	Very high	6 Å²	6	60.3 Å²	60.3	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-57.2	-46.4	-179.2	172.5	0	0	0	0	110.1	M342 N343 E348 F349 E350 K362 I375 V376 Y382 T386	M342-V346 WeakPolarHBondContact O-CG2 3.32Å; M342-V346 PolarHBondContact O-N 3.09Å; M342-V346 VanDerWaalsContact O-N 3.11Å; N343-V346 PolarHBondContact O-N 3.33Å; V346-E348 VanDerWaalsContact C-N 3.35Å; V346-E348 PolarHBondContact O-N 3.34Å; V346-F349 PolarHBondContact O-N 3.42Å; V346-E350 WeakPolarHBondContact O-CG 3.34Å; V346-E350 PolarHBondContact O-N 3.48Å; V346-E350 VanDerWaalsContact O-N 3.08Å; V346-K362 HydrophobicContact CG1-CD 4.21Å; V346-I375 HydrophobicContact CG1-CD1 4.29Å; V346-I375 HydrophobicContact CG2-CB 4.37Å; V346-I375 HydrophobicContact CG2-CD1 4.32Å; V346-V376 HydrophobicContact CB-CG2 4.41Å; V346-V376 HydrophobicContact CG1-CG2 3.68Å; V346-V376 HydrophobicContact CG2-CG2 3.81Å; V346-Y382 HydrophobicContact CG2-CD1 4.29Å; V346-Y382 HydrophobicContact CG2-CE1 3.79Å; V346-T386 HydrophobicContact CG2-CG2 3.92Å
347	K	96.9	Very high	95.2	Very high	120 Å²	120	64 Å²	64	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-59.7	-43.1	176.9	-172.9	-177.5	-179.7	-172.3	0	112.5	N343 I345 F349 E350 D351	N343-K347 WeakPolarHBondContact O-CB 3.4Å; N343-K347 PolarHBondContact O-N 3.44Å; N343-K347 VanDerWaalsContact O-N 3.08Å; I345-K347 VanDerWaalsContact C-N 3.26Å; I345-K347 PolarHBondContact O-N 3.12Å; K347-F349 PolarHBondContact O-N 3.21Å; K347-E350 WeakPolarHBondContact O-CB 3.4Å; K347-E350 PolarHBondContact O-N 2.77Å; K347-D351 WeakPolarHBondContact O-CB 3.34Å; K347-D351 VanDerWaalsContact O-CG 3.28Å; K347-D351 PolarHBondContact O-N 2.81Å
348	E	97.9	Very high	95	Very high	36 Å²	36	63.1 Å²	63.1	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-42	179.3	-172.8	-176.1	-171.4	0	0	112.3	D344 I345 V346 E350 D351 R352 K393 I426 W428	D344-E348 WeakPolarHBondContact O-CB 3.32Å; D344-E348 PolarHBondContact O-N 3.02Å; I345-E348 PolarHBondContact O-N 3.08Å; I345-E348 VanDerWaalsContact O-N 3.11Å; V346-E348 VanDerWaalsContact C-N 3.35Å; V346-E348 PolarHBondContact O-N 3.34Å; E348-E350 VanDerWaalsContact C-N 3.3Å; E348-E350 PolarHBondContact O-N 3.45Å; E348-D351 PolarHBondContact O-N 3.02Å; E348-R352 WeakPolarHBondContact O-CB 3.38Å; E348-R352 WeakPolarHBondContact O-CG 3.48Å; E348-R352 PolarHBondContact O-N 3.25Å; E348-K393 IonicContact OE1-NZ 2.75Å; E348-K393 WeakPolarHBondContact OE2-CE 3.33Å; E348-K393 IonicContact OE2-NZ 2.82Å; E348-K393 PolarHBondContact OE2-NZ 2.65Å; E348-I426 HydrophobicContact CG-CD1 4.04Å; E348-W428 PolarHBondContact OE1-NE1 3.13Å; E348-W428 VanDerWaalsContact OE1-NE1 3.12Å; E348-W428 WeakPolarHBondContact OE2-CZ2 3.43Å
349	F	97.5	Very high	94.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-65.2	-35	175.3	-84.8	-93.9	0	0	0	112	I345 V346 K347 G353 F354 V355 V364 I375 L389 M425 I426 W428	I345-F349 HydrophobicContact CG2-CD2 3.84Å; I345-F349 HydrophobicContact CG2-CE2 3.84Å; I345-F349 WeakPolarHBondContact O-CD2 3.13Å; I345-F349 PolarHBondContact O-N 3.25Å; V346-F349 PolarHBondContact O-N 3.42Å; K347-F349 PolarHBondContact O-N 3.21Å; F349-G353 PolarHBondContact O-N 3.39Å; F349-F354 HydrophobicContact CD1-CB 4.01Å; F349-F354 HydrophobicContact CD1-CD2 4.26Å; F349-F354 PolarHBondContact O-N 3.34Å; F349-V355 HydrophobicContact CB-CG2 3.65Å; F349-V364 HydrophobicContact CD1-CG1 3.99Å; F349-V364 HydrophobicContact CD1-CG2 3.85Å; F349-V364 HydrophobicContact CE1-CG1 4.02Å; F349-V364 HydrophobicContact CE1-CG2 4.46Å; F349-V364 HydrophobicContact CG-CG2 4.4Å; F349-I375 HydrophobicContact CB-CD1 4.29Å; F349-L389 HydrophobicContact CE2-CD1 4.08Å; F349-L389 HydrophobicContact CE2-CD2 4.37Å; F349-L389 HydrophobicContact CZ-CD1 4.14Å; F349-L389 HydrophobicContact CZ-CD2 4.06Å; F349-M425 HydrophobicContact CE1-CE 4.3Å; F349-I426 HydrophobicContact CD1-CD1 4.02Å; F349-I426 HydrophobicContact CD2-CD1 3.86Å; F349-I426 HydrophobicContact CE1-CD1 3.96Å; F349-I426 HydrophobicContact CE2-CD1 3.81Å; F349-I426 HydrophobicContact CG-CD1 3.97Å; F349-I426 HydrophobicContact CZ-CB 4.48Å; F349-I426 HydrophobicContact CZ-CD1 3.86Å; F349-I426 HydrophobicContact CZ-CG2 4.31Å; F349-W428 AromaticContact CE2-CH2 3.7Å; F349-W428 HydrophobicContact CE2-CH2 3.7Å; F349-W428 AromaticContact CE2-CZ2 3.89Å; F349-W428 HydrophobicContact CE2-CZ2 3.89Å; F349-W428 HydrophobicContact CZ-CH2 4.25Å
350	E	96.4	Very high	94.7	Very high	80 Å²	80	71 Å²	71	37%	0.374	38%	0.378	S	S	.	.	H	α-helix	trans	-67.7	-48.8	174.2	-69.6	-174.8	125.8	0	0	112	V346 K347 E348 R352 G353 V355 K362	V346-E350 WeakPolarHBondContact O-CG 3.34Å; V346-E350 PolarHBondContact O-N 3.48Å; V346-E350 VanDerWaalsContact O-N 3.08Å; K347-E350 WeakPolarHBondContact O-CB 3.4Å; K347-E350 PolarHBondContact O-N 2.77Å; E348-E350 VanDerWaalsContact C-N 3.3Å; E348-E350 PolarHBondContact O-N 3.45Å; E350-R352 PolarHBondContact O-N 3.19Å; E350-G353 WeakPolarHBondContact O-CA 3.24Å; E350-G353 PolarHBondContact O-N 3.2Å; E350-V355 HydrophobicContact CB-CG2 4.48Å; E350-V355 HydrophobicContact CG-CB 4.02Å; E350-V355 HydrophobicContact CG-CG1 4.32Å; E350-V355 HydrophobicContact CG-CG2 3.72Å; E350-K362 VanDerWaalsContact CD-NZ 3.26Å; E350-K362 WeakPolarHBondContact OE1-CD 3.48Å; E350-K362 WeakPolarHBondContact OE1-CE 3.3Å; E350-K362 IonicContact OE1-NZ 2.72Å; E350-K362 PolarHBondContact OE1-NZ 3.12Å; E350-K362 IonicContact OE2-NZ 3.2Å; E350-K362 PolarHBondContact OE2-NZ 3.03Å
351	D	97.6	Very high	94.9	Very high	122 Å²	122	70.9 Å²	70.9	65%	0.652	37%	0.372	S	S	*	.	H	α-helix	trans	-61.5	-30.4	-179.9	-72.1	-16.5	0	0	0	111.7	K347 E348 G353	K347-D351 WeakPolarHBondContact O-CB 3.34Å; K347-D351 VanDerWaalsContact O-CG 3.28Å; K347-D351 PolarHBondContact O-N 2.81Å; E348-D351 PolarHBondContact O-N 3.02Å; D351-G353 VanDerWaalsContact C-N 3.34Å
352	R	96.1	Very high	95	Very high	162 Å²	162	70.5 Å²	70.5	61%	0.611	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.3	174.6	-66.4	-75.1	-170.3	173.2	3.6	113.8	E348 E350 F354 I426	E348-R352 WeakPolarHBondContact O-CB 3.38Å; E348-R352 WeakPolarHBondContact O-CG 3.48Å; E348-R352 PolarHBondContact O-N 3.25Å; E350-R352 PolarHBondContact O-N 3.19Å; R352-F354 HydrophobicContact CB-CD2 3.52Å; R352-F354 HydrophobicContact CB-CE2 3.6Å; R352-F354 HydrophobicContact CB-CG 4.37Å; R352-F354 HydrophobicContact CG-CD2 4.45Å; R352-F354 HydrophobicContact CG-CE2 4.27Å; R352-I426 HydrophobicContact CG-CD1 4.24Å; R352-I426 HydrophobicContact CG-CG1 4.3Å
353	G	95.9	Very high	95.2	Very high	64 Å²	64	70.5 Å²	70.5	66%	0.66	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	23	178.6	0	0	0	0	0	114.8	F349 E350 D351	F349-G353 PolarHBondContact O-N 3.39Å; E350-G353 WeakPolarHBondContact O-CA 3.24Å; E350-G353 PolarHBondContact O-N 3.2Å; D351-G353 VanDerWaalsContact C-N 3.34Å
354	F	96.6	Very high	95.4	Very high	74 Å²	74	67 Å²	67	33%	0.325	35%	0.353	S	S	.	.			trans	-90.4	-11.7	179.7	-65.7	-49.3	0	0	0	114	F349 R352 V364 M425 I426	F349-F354 HydrophobicContact CD1-CB 4.01Å; F349-F354 HydrophobicContact CD1-CD2 4.26Å; F349-F354 PolarHBondContact O-N 3.34Å; R352-F354 HydrophobicContact CB-CD2 3.52Å; R352-F354 HydrophobicContact CB-CE2 3.6Å; R352-F354 HydrophobicContact CB-CG 4.37Å; R352-F354 HydrophobicContact CG-CD2 4.45Å; R352-F354 HydrophobicContact CG-CE2 4.27Å; F354-V364 HydrophobicContact CB-CG1 4.35Å; F354-M425 HydrophobicContact CB-CE 4.25Å; F354-M425 HydrophobicContact CD1-CE 4Å; F354-M425 HydrophobicContact CD1-SD 4.35Å; F354-M425 HydrophobicContact CD2-CE 4.12Å; F354-M425 HydrophobicContact CE1-CE 4.36Å; F354-M425 HydrophobicContact CE1-CG 4.35Å; F354-M425 HydrophobicContact CE1-SD 4.35Å; F354-M425 HydrophobicContact CE2-CE 4.46Å; F354-M425 HydrophobicContact CG-CE 3.88Å; F354-M425 HydrophobicContact CZ-CG 4.3Å; F354-I426 HydrophobicContact CD2-CD1 4.22Å; F354-I426 HydrophobicContact CD2-CG1 4.33Å; F354-I426 HydrophobicContact CE2-CB 4.18Å; F354-I426 HydrophobicContact CE2-CD1 4.36Å; F354-I426 HydrophobicContact CE2-CG1 3.98Å
355	V	97.1	Very high	95.5	Very high	32 Å²	32	66.9 Å²	66.9	19%	0.194	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.3	-177.4	178.6	0	0	0	0	111.1	F349 E350 K362 V364 I375	F349-V355 HydrophobicContact CB-CG2 3.65Å; E350-V355 HydrophobicContact CB-CG2 4.48Å; E350-V355 HydrophobicContact CG-CB 4.02Å; E350-V355 HydrophobicContact CG-CG1 4.32Å; E350-V355 HydrophobicContact CG-CG2 3.72Å; V355-K362 HydrophobicContact CG1-CB 3.67Å; V355-K362 HydrophobicContact CG1-CD 4.22Å; V355-K362 HydrophobicContact CG1-CG 4.02Å; V355-V364 HydrophobicContact CG2-CG2 4.1Å; V355-I375 HydrophobicContact CG2-CD1 3.74Å
356	Q	95.3	Very high	95.5	Very high	106 Å²	106	67 Å²	67	50%	0.495	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142.8	166.5	-173.1	174.7	4.6	0	0	109.8	I363 F365	Q356-I363 HydrophobicContact CB-CG1 4.2Å; Q356-I363 PolarHBondContact N-O 2.85Å; Q356-I363 WeakPolarHBondContact O-CG1 3.37Å; Q356-I363 PolarHBondContact O-N 3.37Å; Q356-F365 VanDerWaalsContact OE1-CE2 3.25Å
357	V	94.9	Very high	95.3	Very high	102 Å²	102	71.3 Å²	71.3	62%	0.618	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.1	172.5	-178	0	0	0	0	109.2	R361	V357-R361 WeakPolarHBondContact CA-O 3.34Å
358	D	92.6	Very high	94.9	Very high	65 Å²	65	70 Å²	70	35%	0.348	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	119.8	179.9	-179.6	47.5	0	0	0	110.3	G360 R361 I363	D358-G360 PolarHBondContact O-N 3.4Å; D358-R361 PolarHBondContact N-O 2.99Å; D358-R361 VanDerWaalsContact O-CB 3.31Å; D358-R361 WeakPolarHBondContact O-CB 3.37Å; D358-R361 PolarHBondContact O-N 3.15Å; D358-R361 PolarHBondContact O-NE 3.38Å; D358-R361 IonicContact OD2-NH2 2.81Å; D358-R361 PolarHBondContact OD2-NH2 3.11Å; D358-I363 HydrophobicContact CB-CD1 3.62Å; D358-I363 HydrophobicContact CB-CG1 4.09Å
359	D	89.8	Confident	94.7	Very high	136 Å²	136	70.1 Å²	70.1	73%	0.727	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	40.8	-173.8	-78.8	-17.8	0	0	0	114.3	R361 S378	D359-R361 PolarHBondContact O-N 3.31Å; D359-S378 PolarHBondContact O-OG 2.68Å
360	G	88.8	Confident	94.2	Very high	53 Å²	53	75.5 Å²	75.5	55%	0.546	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	1.9	-178.2	0	0	0	0	0	114.5	D358 S378	D358-G360 PolarHBondContact O-N 3.4Å; G360-S378 WeakPolarHBondContact O-CA 3.45Å
361	R	94.1	Very high	94	Very high	80 Å²	80	76.2 Å²	76.2	30%	0.302	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	152.7	172.4	-56.6	173.6	-68.5	153.2	0.9	109.8	V357 D358 D359 I363 T374 V376 S378	V357-R361 WeakPolarHBondContact CA-O 3.34Å; D358-R361 PolarHBondContact N-O 2.99Å; D358-R361 VanDerWaalsContact O-CB 3.31Å; D358-R361 WeakPolarHBondContact O-CB 3.37Å; D358-R361 PolarHBondContact O-N 3.15Å; D358-R361 PolarHBondContact O-NE 3.38Å; D358-R361 IonicContact OD2-NH2 2.81Å; D358-R361 PolarHBondContact OD2-NH2 3.11Å; D359-R361 PolarHBondContact O-N 3.31Å; R361-I363 HydrophobicContact CB-CG2 4.28Å; R361-T374 HydrophobicContact CB-CG2 4.39Å; R361-V376 WeakPolarHBondContact CA-O 3.23Å; R361-V376 WeakPolarHBondContact CB-O 3.47Å; R361-S378 VanDerWaalsContact CG-OG 3.29Å; R361-S378 WeakPolarHBondContact CG-OG 3.35Å
362	K	95.7	Very high	93.8	Very high	59 Å²	59	72.1 Å²	72.1	26%	0.257	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.4	168.2	-63.4	-175.3	-173.9	179.4	0	108.5	V346 E350 V355 I375 V376	V346-K362 HydrophobicContact CG1-CD 4.21Å; E350-K362 VanDerWaalsContact CD-NZ 3.26Å; E350-K362 WeakPolarHBondContact OE1-CD 3.48Å; E350-K362 WeakPolarHBondContact OE1-CE 3.3Å; E350-K362 IonicContact OE1-NZ 2.72Å; E350-K362 PolarHBondContact OE1-NZ 3.12Å; E350-K362 IonicContact OE2-NZ 3.2Å; E350-K362 PolarHBondContact OE2-NZ 3.03Å; V355-K362 HydrophobicContact CG1-CB 3.67Å; V355-K362 HydrophobicContact CG1-CD 4.22Å; V355-K362 HydrophobicContact CG1-CG 4.02Å; K362-I375 HydrophobicContact CB-CD1 4.48Å; K362-I375 HydrophobicContact CB-CG1 4.01Å; K362-I375 WeakPolarHBondContact O-CG1 3.49Å; K362-I375 PolarHBondContact O-N 2.76Å; K362-V376 HydrophobicContact CB-CB 3.88Å; K362-V376 HydrophobicContact CB-CG2 4.13Å; K362-V376 HydrophobicContact CD-CB 4.14Å; K362-V376 HydrophobicContact CD-CG2 3.89Å; K362-V376 HydrophobicContact CG-CB 4.09Å; K362-V376 HydrophobicContact CG-CG2 4.34Å; K362-V376 PolarHBondContact N-O 3.06Å; K362-V376 PolarHBondContact O-N 3.23Å
363	I	97.1	Very high	93.9	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.015	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152.8	-178	64.8	169	0	0	0	111.5	Q356 D358 R361 F365 P372 L373	Q356-I363 HydrophobicContact CB-CG1 4.2Å; Q356-I363 PolarHBondContact N-O 2.85Å; Q356-I363 WeakPolarHBondContact O-CG1 3.37Å; Q356-I363 PolarHBondContact O-N 3.37Å; D358-I363 HydrophobicContact CB-CD1 3.62Å; D358-I363 HydrophobicContact CB-CG1 4.09Å; R361-I363 HydrophobicContact CB-CG2 4.28Å; I363-F365 HydrophobicContact CD1-CD2 4.34Å; I363-F365 HydrophobicContact CD1-CE2 3.48Å; I363-F365 VanDerWaalsContact CD1-CE2 3.48Å; I363-F365 HydrophobicContact CD1-CZ 3.86Å; I363-F365 HydrophobicContact CG1-CE2 4.25Å; I363-P372 HydrophobicContact CB-CB 4.26Å; I363-P372 HydrophobicContact CD1-CB 4.3Å; I363-P372 HydrophobicContact CD1-CG 4.3Å; I363-L373 CarbonylContact C-O 3.58Å; I363-L373 WeakPolarHBondContact CA-O 3.41Å; I363-L373 WeakPolarHBondContact CB-O 3.24Å
364	V	97.3	Very high	93.9	Very high	0 Å²	0	63 Å²	63	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.3	177.4	178.7	0	0	0	0	109	F349 F354 V355 P372 L373 I375 M425	F349-V364 HydrophobicContact CD1-CG1 3.99Å; F349-V364 HydrophobicContact CD1-CG2 3.85Å; F349-V364 HydrophobicContact CE1-CG1 4.02Å; F349-V364 HydrophobicContact CE1-CG2 4.46Å; F349-V364 HydrophobicContact CG-CG2 4.4Å; F354-V364 HydrophobicContact CB-CG1 4.35Å; V355-V364 HydrophobicContact CG2-CG2 4.1Å; V364-P372 WeakPolarHBondContact O-CA 3.28Å; V364-L373 HydrophobicContact CB-CB 4.47Å; V364-L373 PolarHBondContact N-O 3.27Å; V364-L373 PolarHBondContact O-N 3.3Å; V364-I375 HydrophobicContact CG2-CD1 3.85Å; V364-I375 HydrophobicContact CG2-CG1 4.34Å; V364-I375 HydrophobicContact CG2-CG2 4.41Å; V364-M425 HydrophobicContact CG1-CE 3.94Å
365	F	96.3	Very high	93.8	Very high	101 Å²	101	59.4 Å²	59.4	44%	0.443	36%	0.359	S	S	.	.			trans	-87.5	126.6	172.5	-76.1	-82.1	0	0	0	110.2	Q356 I363 P372	Q356-F365 VanDerWaalsContact OE1-CE2 3.25Å; I363-F365 HydrophobicContact CD1-CD2 4.34Å; I363-F365 HydrophobicContact CD1-CE2 3.48Å; I363-F365 VanDerWaalsContact CD1-CE2 3.48Å; I363-F365 HydrophobicContact CD1-CZ 3.86Å; I363-F365 HydrophobicContact CG1-CE2 4.25Å; F365-P372 HydrophobicContact CD1-CB 3.87Å; F365-P372 HydrophobicContact CD1-CG 4.47Å; F365-P372 HydrophobicContact CD2-CB 4.47Å; F365-P372 HydrophobicContact CE1-CB 3.77Å; F365-P372 HydrophobicContact CE1-CG 3.9Å; F365-P372 HydrophobicContact CE2-CB 4.38Å; F365-P372 HydrophobicContact CG-CB 4.23Å; F365-P372 HydrophobicContact CZ-CB 4.04Å; F365-P372 HydrophobicContact CZ-CG 4.07Å
366	V	95.8	Very high	93.6	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.03	35%	0.354	C	S	.	.			trans	-104.3	124.3	-179.6	-174.6	0	0	0	0	109.1	G368 C369 L373 T418 A421 A422	V366-G368 PolarHBondContact O-N 3.33Å; V366-C369 HydrophobicContact CB-CB 4.18Å; V366-C369 PolarHBondContact O-N 3.49Å; V366-L373 HydrophobicContact CG2-CD1 4.22Å; V366-L373 HydrophobicContact CG2-CG 4.5Å; V366-T418 HydrophobicContact CB-CG2 4.17Å; V366-T418 HydrophobicContact CG2-CG2 3.82Å; V366-A421 HydrophobicContact CG1-CB 3.45Å; V366-A421 VanDerWaalsContact CG1-CB 3.45Å; V366-A422 HydrophobicContact CG2-CB 3.72Å
367	P	91.9	Very high	93.3	Very high	98 Å²	98	56.5 Å²	56.5	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	129.2	176.8	-26.3	34.6	0	0	0	112	M425	P367-M425 WeakPolarHBondContact CD-SD 3.36Å; P367-M425 HydrophobicContact CG-SD 4.13Å
368	G	89.3	Confident	92.8	Very high	92 Å²	92	55.6 Å²	55.6	95%	0.948	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-5.6	-177.3	0	0	0	0	0	114.8	V366	V366-G368 PolarHBondContact O-N 3.33Å
369	C	92.3	Very high	92.1	Very high	38 Å²	38	58.1 Å²	58.1	26%	0.257	35%	0.354	S	S	.	.			trans	-111.4	141.3	175.1	-59.3	0	0	0	0	110.5	V366 T418	V366-C369 HydrophobicContact CB-CB 4.18Å; V366-C369 PolarHBondContact O-N 3.49Å; C369-T418 HydrophobicContact CB-CG2 4.08Å
370	S	86.9	Confident	91.7	Very high	113 Å²	113	53.9 Å²	53.9	79%	0.79	34%	0.343	S	S	*	.	S	Bend	trans	-86.5	-19.9	177.9	53.2	0	0	0	0	113.6
371	I	92.3	Very high	91.4	Very high	95 Å²	95	51.8 Å²	51.8	49%	0.487	32%	0.322	S	S	.	.	S	Bend	trans	-108.7	126.6	-174.7	-63	158.5	0	0	0	108.4	V414	I371-V414 HydrophobicContact CD1-CG1 3.78Å
372	P	94.9	Very high	91.1	Very high	36 Å²	36	51.1 Å²	51.1	23%	0.234	32%	0.319	C	S	.	.			trans	-77.5	152.5	175.3	32	-34	0	0	0	111.5	I363 V364 F365	I363-P372 HydrophobicContact CB-CB 4.26Å; I363-P372 HydrophobicContact CD1-CB 4.3Å; I363-P372 HydrophobicContact CD1-CG 4.3Å; V364-P372 WeakPolarHBondContact O-CA 3.28Å; F365-P372 HydrophobicContact CD1-CB 3.87Å; F365-P372 HydrophobicContact CD1-CG 4.47Å; F365-P372 HydrophobicContact CD2-CB 4.47Å; F365-P372 HydrophobicContact CE1-CB 3.77Å; F365-P372 HydrophobicContact CE1-CG 3.9Å; F365-P372 HydrophobicContact CE2-CB 4.38Å; F365-P372 HydrophobicContact CG-CB 4.23Å; F365-P372 HydrophobicContact CZ-CB 4.04Å; F365-P372 HydrophobicContact CZ-CG 4.07Å
373	L	97	Very high	90.8	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.6	169	-61.9	174.8	0	0	0	109.4	I363 V364 V366 I375 D385 L389 T418 I419 A422	I363-L373 CarbonylContact C-O 3.58Å; I363-L373 WeakPolarHBondContact CA-O 3.41Å; I363-L373 WeakPolarHBondContact CB-O 3.24Å; V364-L373 HydrophobicContact CB-CB 4.47Å; V364-L373 PolarHBondContact N-O 3.27Å; V364-L373 PolarHBondContact O-N 3.3Å; V366-L373 HydrophobicContact CG2-CD1 4.22Å; V366-L373 HydrophobicContact CG2-CG 4.5Å; L373-I375 HydrophobicContact CB-CG2 4.5Å; L373-D385 HydrophobicContact CB-CB 4.27Å; L373-D385 HydrophobicContact CD2-CB 4.23Å; L373-L389 HydrophobicContact CD1-CD1 4.13Å; L373-L389 HydrophobicContact CD1-CD2 4.5Å; L373-T418 HydrophobicContact CD1-CG2 4.22Å; L373-T418 HydrophobicContact CD2-CG2 3.63Å; L373-T418 HydrophobicContact CG-CG2 3.73Å; L373-I419 HydrophobicContact CD1-CD1 3.91Å; L373-I419 HydrophobicContact CD2-CD1 3.85Å; L373-I419 HydrophobicContact CD2-CG1 4.34Å; L373-A422 HydrophobicContact CD1-CB 3.76Å
374	T	96.5	Very high	90.5	Very high	29 Å²	29	55.3 Å²	55.3	18%	0.178	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	95.7	173.4	-57.8	0	0	0	0	109.4	R361 T383 D385	R361-T374 HydrophobicContact CB-CG2 4.39Å; T374-T383 HydrophobicContact CG2-CG2 4.32Å; T374-T383 WeakPolarHBondContact O-CB 3.17Å; T374-T383 VanDerWaalsContact O-CG2 3.3Å; T374-T383 WeakPolarHBondContact O-CG2 3.44Å; T374-T383 PolarHBondContact O-OG1 3.4Å; T374-D385 PolarHBondContact N-OD2 2.85Å
375	I	94.6	Very high	90.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-19	-176.5	59.5	169.4	0	0	0	113.7	V346 F349 V355 K362 V364 L373 T386 L389	V346-I375 HydrophobicContact CG1-CD1 4.29Å; V346-I375 HydrophobicContact CG2-CB 4.37Å; V346-I375 HydrophobicContact CG2-CD1 4.32Å; F349-I375 HydrophobicContact CB-CD1 4.29Å; V355-I375 HydrophobicContact CG2-CD1 3.74Å; K362-I375 HydrophobicContact CB-CD1 4.48Å; K362-I375 HydrophobicContact CB-CG1 4.01Å; K362-I375 WeakPolarHBondContact O-CG1 3.49Å; K362-I375 PolarHBondContact O-N 2.76Å; V364-I375 HydrophobicContact CG2-CD1 3.85Å; V364-I375 HydrophobicContact CG2-CG1 4.34Å; V364-I375 HydrophobicContact CG2-CG2 4.41Å; L373-I375 HydrophobicContact CB-CG2 4.5Å; I375-T386 PolarHBondContact O-OG1 3.15Å; I375-L389 HydrophobicContact CG2-CD1 3.73Å
376	V	92.3	Very high	90.3	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.085	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.6	171.1	-172	0	0	0	0	109.6	V346 R361 K362 Y382	V346-V376 HydrophobicContact CB-CG2 4.41Å; V346-V376 HydrophobicContact CG1-CG2 3.68Å; V346-V376 HydrophobicContact CG2-CG2 3.81Å; R361-V376 WeakPolarHBondContact CA-O 3.23Å; R361-V376 WeakPolarHBondContact CB-O 3.47Å; K362-V376 HydrophobicContact CB-CB 3.88Å; K362-V376 HydrophobicContact CB-CG2 4.13Å; K362-V376 HydrophobicContact CD-CB 4.14Å; K362-V376 HydrophobicContact CD-CG2 3.89Å; K362-V376 HydrophobicContact CG-CB 4.09Å; K362-V376 HydrophobicContact CG-CG2 4.34Å; K362-V376 PolarHBondContact N-O 3.06Å; K362-V376 PolarHBondContact O-N 3.23Å; V376-Y382 HydrophobicContact CG2-CD1 4.33Å; V376-Y382 HydrophobicContact CG2-CE1 4.11Å
377	K	88.5	Confident	90.3	Very high	63 Å²	63	51.7 Å²	51.7	27%	0.274	32%	0.323	S	S	.	.			trans	-75.6	167.2	173.8	-66.1	-177.4	-69.5	133.5	0	111.7	D379 G380 G381 T383	K377-D379 WeakPolarHBondContact CB-OD1 3.39Å; K377-D379 WeakPolarHBondContact CE-OD1 3.05Å; K377-D379 VanDerWaalsContact NZ-CG 3.33Å; K377-D379 IonicContact NZ-OD1 3.52Å; K377-D379 PolarHBondContact NZ-OD1 2.81Å; K377-D379 IonicContact NZ-OD2 2.76Å; K377-D379 PolarHBondContact NZ-OD2 3.27Å; K377-D379 PolarHBondContact O-N 3.3Å; K377-D379 VanDerWaalsContact O-N 3.13Å; K377-G380 PolarHBondContact O-N 2.87Å; K377-G381 WeakPolarHBondContact CB-O 3.27Å; K377-G381 WeakPolarHBondContact CE-O 3.4Å; K377-G381 PolarHBondContact N-O 3.01Å; K377-T383 HydrophobicContact CD-CG2 4.22Å; K377-T383 HydrophobicContact CG-CG2 3.68Å
378	S	85.9	Confident	90.5	Very high	82 Å²	82	47.6 Å²	47.6	57%	0.573	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.4	177.5	-41.5	0	0	0	0	113.8	D359 G360 R361 G380	D359-S378 PolarHBondContact O-OG 2.68Å; G360-S378 WeakPolarHBondContact O-CA 3.45Å; R361-S378 VanDerWaalsContact CG-OG 3.29Å; R361-S378 WeakPolarHBondContact CG-OG 3.35Å; S378-G380 VanDerWaalsContact C-N 3.33Å
379	D	77.8	Confident	91	Very high	118 Å²	118	43.2 Å²	43.2	63%	0.631	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	4.1	175.4	65.1	5	0	0	0	113.6	K377 G381	K377-D379 WeakPolarHBondContact CB-OD1 3.39Å; K377-D379 WeakPolarHBondContact CE-OD1 3.05Å; K377-D379 VanDerWaalsContact NZ-CG 3.33Å; K377-D379 IonicContact NZ-OD1 3.52Å; K377-D379 PolarHBondContact NZ-OD1 2.81Å; K377-D379 IonicContact NZ-OD2 2.76Å; K377-D379 PolarHBondContact NZ-OD2 3.27Å; K377-D379 PolarHBondContact O-N 3.3Å; K377-D379 VanDerWaalsContact O-N 3.13Å; D379-G381 VanDerWaalsContact C-N 3.26Å; D379-G381 PolarHBondContact O-N 3.35Å; D379-G381 PolarHBondContact OD1-N 2.98Å
380	G	80.3	Confident	91.2	Very high	47 Å²	47	41.4 Å²	41.4	49%	0.485	24%	0.239	S	C	.	.	S	Bend	trans	81	-3.1	-177	0	0	0	0	0	114.7	K377 S378	K377-G380 PolarHBondContact O-N 2.87Å; S378-G380 VanDerWaalsContact C-N 3.33Å
381	G	82.8	Confident	91.8	Very high	10 Å²	10	36 Å²	36	10%	0.103	20%	0.201	C	C	.	.			trans	-76.8	147.2	179.7	0	0	0	0	0	113.5	K377 D379	K377-G381 WeakPolarHBondContact CB-O 3.27Å; K377-G381 WeakPolarHBondContact CE-O 3.4Å; K377-G381 PolarHBondContact N-O 3.01Å; D379-G381 VanDerWaalsContact C-N 3.26Å; D379-G381 PolarHBondContact O-N 3.35Å; D379-G381 PolarHBondContact OD1-N 2.98Å
382	Y	88.4	Confident	92.1	Very high	65 Å²	65	31.5 Å²	31.5	26%	0.255	18%	0.178	S	C	.	.			trans	-76.3	163.6	173.6	-59.4	-43.7	0	0	0	113.1	M342 N343 V346 V376 T386	M342-Y382 HydrophobicContact CB-CD2 3.83Å; M342-Y382 HydrophobicContact CB-CE2 3.91Å; M342-Y382 HydrophobicContact CB-CG 4.29Å; M342-Y382 HydrophobicContact CE-CD2 3.89Å; M342-Y382 HydrophobicContact CE-CG 4.44Å; M342-Y382 HydrophobicContact SD-CD2 4.05Å; M342-Y382 HydrophobicContact SD-CG 4.11Å; N343-Y382 WeakPolarHBondContact CA-OH 3.21Å; N343-Y382 WeakPolarHBondContact OD1-CE2 3.36Å; N343-Y382 PolarHBondContact OD1-OH 2.86Å; V346-Y382 HydrophobicContact CG2-CD1 4.29Å; V346-Y382 HydrophobicContact CG2-CE1 3.79Å; V376-Y382 HydrophobicContact CG2-CD1 4.33Å; V376-Y382 HydrophobicContact CG2-CE1 4.11Å; Y382-T386 HydrophobicContact CD1-CG2 3.7Å; Y382-T386 HydrophobicContact CE1-CG2 4.38Å; Y382-T386 HydrophobicContact CG-CG2 3.97Å
383	T	89.8	Confident	92.2	Very high	33 Å²	33	32.5 Å²	32.5	20%	0.202	18%	0.179	C	C	.	.			trans	-127.2	176.7	-175.8	65.9	0	0	0	0	111	T374 K377 D385 T386 S387	T374-T383 HydrophobicContact CG2-CG2 4.32Å; T374-T383 WeakPolarHBondContact O-CB 3.17Å; T374-T383 VanDerWaalsContact O-CG2 3.3Å; T374-T383 WeakPolarHBondContact O-CG2 3.44Å; T374-T383 PolarHBondContact O-OG1 3.4Å; K377-T383 HydrophobicContact CD-CG2 4.22Å; K377-T383 HydrophobicContact CG-CG2 3.68Å; T383-D385 VanDerWaalsContact C-N 3.26Å; T383-D385 PolarHBondContact O-N 3.43Å; T383-D385 PolarHBondContact OG1-N 3.47Å; T383-T386 PolarHBondContact N-OG1 2.75Å; T383-T386 VanDerWaalsContact N-OG1 3.07Å; T383-T386 WeakPolarHBondContact O-CB 3.32Å; T383-T386 PolarHBondContact O-N 3.41Å; T383-T386 PolarHBondContact O-OG1 2.93Å; T383-T386 PolarHBondContact OG1-N 2.81Å; T383-T386 PolarHBondContact OG1-OG1 2.78Å; T383-T386 VanDerWaalsContact OG1-OG1 3.05Å; T383-S387 PolarHBondContact O-N 3.18Å; T383-S387 VanDerWaalsContact O-N 3.14Å
384	Y	90.1	Very high	92.3	Very high	117 Å²	117	32.4 Å²	32.4	46%	0.459	18%	0.178	S	C	.	.	H	α-helix	trans	-57	-37.5	170.5	-63.9	-64.7	0	0	0	112.9	E335 T386 S387 D388	E335-Y384 WeakPolarHBondContact OE1-CE1 3.43Å; Y384-T386 PolarHBondContact O-N 2.65Å; Y384-S387 WeakPolarHBondContact CA-OG 3.24Å; Y384-S387 PolarHBondContact O-N 2.58Å; Y384-S387 PolarHBondContact O-OG 2.84Å; Y384-D388 WeakPolarHBondContact O-CB 3.26Å; Y384-D388 PolarHBondContact O-N 3.4Å
385	D	95.2	Very high	92.4	Very high	27 Å²	27	31 Å²	31	14%	0.144	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-34.8	175.5	-53.5	-12.8	0	0	0	111.3	L373 T374 T383 L389 H415 I419	L373-D385 HydrophobicContact CB-CB 4.27Å; L373-D385 HydrophobicContact CD2-CB 4.23Å; T374-D385 PolarHBondContact N-OD2 2.85Å; T383-D385 VanDerWaalsContact C-N 3.26Å; T383-D385 PolarHBondContact O-N 3.43Å; T383-D385 PolarHBondContact OG1-N 3.47Å; D385-L389 WeakPolarHBondContact O-CB 3.32Å; D385-L389 WeakPolarHBondContact O-CD1 3.24Å; D385-L389 WeakPolarHBondContact O-CG 3.36Å; D385-L389 PolarHBondContact O-N 3.19Å; D385-L389 VanDerWaalsContact O-N 3.14Å; D385-H415 IonicContact OD1-CE1 3.21Å; D385-H415 PolarHBondContact OD1-CE1 2.93Å; D385-H415 IonicContact OD1-ND1 2.67Å; D385-H415 PolarHBondContact OD1-ND1 3.2Å; D385-I419 HydrophobicContact CB-CD1 4.48Å
386	T	94.5	Very high	92.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-74.3	-45.1	-179.1	-33.5	0	0	0	0	111.2	M342 V346 I375 Y382 T383 Y384 A390	M342-T386 HydrophobicContact CB-CG2 3.89Å; M342-T386 HydrophobicContact CG-CG2 3.94Å; M342-T386 HydrophobicContact SD-CG2 3.95Å; V346-T386 HydrophobicContact CG2-CG2 3.92Å; I375-T386 PolarHBondContact O-OG1 3.15Å; Y382-T386 HydrophobicContact CD1-CG2 3.7Å; Y382-T386 HydrophobicContact CE1-CG2 4.38Å; Y382-T386 HydrophobicContact CG-CG2 3.97Å; T383-T386 PolarHBondContact N-OG1 2.75Å; T383-T386 VanDerWaalsContact N-OG1 3.07Å; T383-T386 WeakPolarHBondContact O-CB 3.32Å; T383-T386 PolarHBondContact O-N 3.41Å; T383-T386 PolarHBondContact O-OG1 2.93Å; T383-T386 PolarHBondContact OG1-N 2.81Å; T383-T386 PolarHBondContact OG1-OG1 2.78Å; T383-T386 VanDerWaalsContact OG1-OG1 3.05Å; Y384-T386 PolarHBondContact O-N 2.65Å; T386-A390 WeakPolarHBondContact O-CB 3.17Å; T386-A390 PolarHBondContact O-N 3.44Å
387	S	94.4	Very high	92.8	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-42.7	179.6	53.7	0	0	0	0	111.4	T383 Y384 A390 A391	T383-S387 PolarHBondContact O-N 3.18Å; T383-S387 VanDerWaalsContact O-N 3.14Å; Y384-S387 WeakPolarHBondContact CA-OG 3.24Å; Y384-S387 PolarHBondContact O-N 2.58Å; Y384-S387 PolarHBondContact O-OG 2.84Å; S387-A390 PolarHBondContact O-N 3.02Å; S387-A391 VanDerWaalsContact O-CB 3.3Å; S387-A391 WeakPolarHBondContact O-CB 3.44Å; S387-A391 PolarHBondContact O-N 3.08Å
388	D	97.5	Very high	93.2	Very high	12 Å²	12	36 Å²	36	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-69.7	-37.4	179.5	-78.4	-32.9	0	0	0	112.6	H237 Y384 A391 I392 H415 I419	H237-D388 IonicContact CD2-OD1 3.8Å; H237-D388 IonicContact NE2-OD1 2.96Å; Y384-D388 WeakPolarHBondContact O-CB 3.26Å; Y384-D388 PolarHBondContact O-N 3.4Å; D388-A391 PolarHBondContact O-N 3.21Å; D388-I392 WeakPolarHBondContact O-CG2 3.43Å; D388-I392 PolarHBondContact O-N 2.65Å; D388-H415 IonicContact OD2-CD2 2.65Å; D388-H415 IonicContact OD2-CE1 2.8Å; D388-H415 IonicContact OD2-NE2 2.67Å; D388-H415 PolarHBondContact OD2-NE2 2.71Å; D388-I419 HydrophobicContact CB-CD1 4.25Å; D388-I419 HydrophobicContact CB-CG1 4.44Å; D388-I419 HydrophobicContact CB-CG2 4.49Å
389	L	98.3	Very high	93.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-40.7	171.6	-77.9	172	0	0	0	111.9	I345 F349 L373 I375 D385 I392 K393 I419 A422 W428	I345-L389 HydrophobicContact CG2-CB 3.96Å; F349-L389 HydrophobicContact CE2-CD1 4.08Å; F349-L389 HydrophobicContact CE2-CD2 4.37Å; F349-L389 HydrophobicContact CZ-CD1 4.14Å; F349-L389 HydrophobicContact CZ-CD2 4.06Å; L373-L389 HydrophobicContact CD1-CD1 4.13Å; L373-L389 HydrophobicContact CD1-CD2 4.5Å; I375-L389 HydrophobicContact CG2-CD1 3.73Å; D385-L389 WeakPolarHBondContact O-CB 3.32Å; D385-L389 WeakPolarHBondContact O-CD1 3.24Å; D385-L389 WeakPolarHBondContact O-CG 3.36Å; D385-L389 PolarHBondContact O-N 3.19Å; D385-L389 VanDerWaalsContact O-N 3.14Å; L389-I392 VanDerWaalsContact O-CG2 3.3Å; L389-I392 WeakPolarHBondContact O-CG2 3.42Å; L389-K393 PolarHBondContact O-N 2.89Å; L389-I419 HydrophobicContact CD2-CD1 4.09Å; L389-I419 HydrophobicContact CD2-CG2 4.2Å; L389-I419 HydrophobicContact CG-CD1 3.76Å; L389-A422 HydrophobicContact CD2-CB 4.11Å; L389-W428 HydrophobicContact CB-CH2 4.4Å; L389-W428 HydrophobicContact CD2-CH2 4.35Å; L389-W428 HydrophobicContact CD2-CZ3 4.06Å; L389-W428 WeakPolarHBondContact O-CZ3 3.42Å
390	A	97.9	Very high	94.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-41.1	175	0	0	0	0	0	111.8	M342 I345 T386 S387 Q394	M342-A390 HydrophobicContact CG-CB 3.85Å; I345-A390 HydrophobicContact CG1-CB 3.73Å; T386-A390 WeakPolarHBondContact O-CB 3.17Å; T386-A390 PolarHBondContact O-N 3.44Å; S387-A390 PolarHBondContact O-N 3.02Å; A390-Q394 WeakPolarHBondContact O-CB 3.27Å; A390-Q394 PolarHBondContact O-N 3.16Å
391	A	98.3	Very high	95.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-46.7	179.6	0	0	0	0	0	112.3	Y338 S387 D388 K393 Q394 R395	Y338-A391 HydrophobicContact CD1-CB 4.17Å; Y338-A391 HydrophobicContact CD2-CB 4.3Å; Y338-A391 VanDerWaalsContact CE1-CA 3.49Å; Y338-A391 HydrophobicContact CE1-CB 3.79Å; Y338-A391 HydrophobicContact CE2-CB 3.94Å; Y338-A391 HydrophobicContact CG-CB 4.4Å; S387-A391 VanDerWaalsContact O-CB 3.3Å; S387-A391 WeakPolarHBondContact O-CB 3.44Å; S387-A391 PolarHBondContact O-N 3.08Å; D388-A391 PolarHBondContact O-N 3.21Å; A391-K393 VanDerWaalsContact C-N 3.33Å; A391-K393 PolarHBondContact O-N 3.34Å; A391-Q394 PolarHBondContact O-N 2.93Å; A391-R395 WeakPolarHBondContact O-CB 3.28Å; A391-R395 WeakPolarHBondContact O-CD 3.37Å; A391-R395 WeakPolarHBondContact O-CG 3.35Å; A391-R395 PolarHBondContact O-N 2.68Å
392	I	98.6	Very high	96.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-41.5	178.1	-167.9	171.5	0	0	0	111.1	D388 L389 Q394 R395 L396 Y406 I419 F420 A423 W428 V436	D388-I392 WeakPolarHBondContact O-CG2 3.43Å; D388-I392 PolarHBondContact O-N 2.65Å; L389-I392 VanDerWaalsContact O-CG2 3.3Å; L389-I392 WeakPolarHBondContact O-CG2 3.42Å; I392-Q394 PolarHBondContact O-N 3.32Å; I392-R395 PolarHBondContact O-N 3.37Å; I392-L396 HydrophobicContact CG1-CD1 3.89Å; I392-L396 HydrophobicContact CG1-CG 4.36Å; I392-L396 WeakPolarHBondContact O-CB 3.38Å; I392-L396 VanDerWaalsContact O-CG 3.24Å; I392-L396 WeakPolarHBondContact O-CG 3.3Å; I392-L396 PolarHBondContact O-N 2.89Å; I392-Y406 WeakPolarHBondContact CB-OH 3.46Å; I392-I419 HydrophobicContact CD1-CG2 4.49Å; I392-I419 HydrophobicContact CG2-CG2 4.25Å; I392-F420 HydrophobicContact CD1-CD1 3.79Å; I392-F420 HydrophobicContact CD1-CE1 4.25Å; I392-A423 HydrophobicContact CD1-CB 3.94Å; I392-A423 HydrophobicContact CG2-CB 4.29Å; I392-W428 HydrophobicContact CG2-CE3 4.11Å; I392-W428 HydrophobicContact CG2-CZ3 3.79Å; I392-V436 HydrophobicContact CD1-CG1 4.11Å
393	K	98.5	Very high	96.8	Very high	56 Å²	56	34.3 Å²	34.3	24%	0.243	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-45.1	175.6	-170.5	-174.5	-177.8	-179.3	0	111.6	I345 E348 L389 A391 R395 L396 S397 W428	I345-K393 HydrophobicContact CD1-CB 4.03Å; I345-K393 HydrophobicContact CD1-CD 3.28Å; I345-K393 HydrophobicContact CD1-CG 4.28Å; E348-K393 IonicContact OE1-NZ 2.75Å; E348-K393 WeakPolarHBondContact OE2-CE 3.33Å; E348-K393 IonicContact OE2-NZ 2.82Å; E348-K393 PolarHBondContact OE2-NZ 2.65Å; L389-K393 PolarHBondContact O-N 2.89Å; A391-K393 VanDerWaalsContact C-N 3.33Å; A391-K393 PolarHBondContact O-N 3.34Å; K393-R395 PolarHBondContact O-N 2.88Å; K393-L396 PolarHBondContact O-N 2.62Å; K393-S397 WeakPolarHBondContact O-CB 3.48Å; K393-S397 PolarHBondContact O-N 3.43Å; K393-S397 PolarHBondContact O-OG 2.9Å; K393-W428 HydrophobicContact CB-CD2 4.13Å; K393-W428 HydrophobicContact CB-CE3 3.9Å; K393-W428 HydrophobicContact CB-CH2 3.93Å; K393-W428 HydrophobicContact CB-CZ2 4.15Å; K393-W428 HydrophobicContact CB-CZ3 3.81Å; K393-W428 HydrophobicContact CD-CD2 4.45Å; K393-W428 HydrophobicContact CD-CH2 4.25Å; K393-W428 HydrophobicContact CD-CZ2 3.71Å; K393-W428 HydrophobicContact CG-CD2 4.04Å; K393-W428 HydrophobicContact CG-CE3 4.34Å; K393-W428 HydrophobicContact CG-CH2 4.4Å; K393-W428 HydrophobicContact CG-CZ2 4.12Å
394	Q	98.5	Very high	97.2	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-45.2	179.1	-169.5	-81.1	-37.3	0	0	111.4	F337 Y338 A390 A391 I392 L396 S397 E398 E399	F337-Q394 HydrophobicContact CE1-CG 4.31Å; Y338-Q394 HydrophobicContact CD1-CB 4.28Å; Y338-Q394 HydrophobicContact CE1-CB 3.91Å; Y338-Q394 HydrophobicContact CE1-CG 4.08Å; A390-Q394 WeakPolarHBondContact O-CB 3.27Å; A390-Q394 PolarHBondContact O-N 3.16Å; A391-Q394 PolarHBondContact O-N 2.93Å; I392-Q394 PolarHBondContact O-N 3.32Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 3.24Å; Q394-S397 PolarHBondContact O-N 3.11Å; Q394-E398 HydrophobicContact CG-CB 4.37Å; Q394-E398 HydrophobicContact CG-CG 4.27Å; Q394-E398 WeakPolarHBondContact CG-OE2 3.42Å; Q394-E398 PolarHBondContact NE2-OE2 2.97Å; Q394-E398 WeakPolarHBondContact O-CB 3.37Å; Q394-E398 PolarHBondContact O-N 3.33Å; Q394-E399 PolarHBondContact NE2-OE1 3.41Å; Q394-E399 PolarHBondContact O-N 3.11Å; Q394-E399 VanDerWaalsContact O-N 3.16Å
395	R	98.6	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.6	-33.3	178.1	-69.3	168.3	-168.6	-174.3	1.2	112.8	I195 D197 L235 A391 I392 K393 E399 K400 A401 I404 Y406	I195-R395 HydrophobicContact CD1-CB 3.85Å; I195-R395 HydrophobicContact CD1-CG 3.92Å; D197-R395 IonicContact OD2-CZ 3.86Å; D197-R395 IonicContact OD2-NH1 3.04Å; D197-R395 PolarHBondContact OD2-NH1 2.97Å; D197-R395 IonicContact OD2-NH2 3.9Å; D197-R395 PolarHBondContact OD2-NH2 2.71Å; L235-R395 HydrophobicContact CD1-CG 4.35Å; A391-R395 WeakPolarHBondContact O-CB 3.28Å; A391-R395 WeakPolarHBondContact O-CD 3.37Å; A391-R395 WeakPolarHBondContact O-CG 3.35Å; A391-R395 PolarHBondContact O-N 2.68Å; I392-R395 PolarHBondContact O-N 3.37Å; K393-R395 PolarHBondContact O-N 2.88Å; R395-E399 WeakPolarHBondContact O-CB 3.47Å; R395-K400 PolarHBondContact O-N 2.95Å; R395-A401 PolarHBondContact O-N 3.49Å; R395-I404 HydrophobicContact CB-CD1 3.66Å; R395-Y406 PolarHBondContact NH1-OH 2.78Å
396	L	98.3	Very high	97.8	Very high	22 Å²	22	26 Å²	26	12%	0.115	13%	0.13	C	C	.	.	H	α-helix	trans	-79.5	-44.1	176.7	-70.2	169.1	0	0	0	112.8	I392 K393 Q394 K400 I404 W428 Y429 T434	I392-L396 HydrophobicContact CG1-CD1 3.89Å; I392-L396 HydrophobicContact CG1-CG 4.36Å; I392-L396 WeakPolarHBondContact O-CB 3.38Å; I392-L396 VanDerWaalsContact O-CG 3.24Å; I392-L396 WeakPolarHBondContact O-CG 3.3Å; I392-L396 PolarHBondContact O-N 2.89Å; K393-L396 PolarHBondContact O-N 2.62Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 3.24Å; L396-K400 WeakPolarHBondContact O-CA 3.39Å; L396-I404 HydrophobicContact CD2-CD1 3.78Å; L396-I404 HydrophobicContact CG-CD1 3.95Å; L396-W428 HydrophobicContact CD1-CB 4.03Å; L396-Y429 HydrophobicContact CD1-CD1 3.98Å; L396-Y429 HydrophobicContact CD1-CG 4.25Å; L396-Y429 HydrophobicContact CD2-CG 4.46Å; L396-T434 HydrophobicContact CD2-CG2 3.81Å
397	S	97	Very high	98	Very high	64 Å²	64	26 Å²	26	45%	0.448	13%	0.13	S	C	.	.	H	α-helix	trans	-93.4	-43.6	-168.7	59.8	0	0	0	0	114.2	K393 Q394	K393-S397 WeakPolarHBondContact O-CB 3.48Å; K393-S397 PolarHBondContact O-N 3.43Å; K393-S397 PolarHBondContact O-OG 2.9Å; Q394-S397 PolarHBondContact O-N 3.11Å
398	E	97.6	Very high	98.2	Very high	96 Å²	96	26.9 Å²	26.9	45%	0.449	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-50.3	-179.1	-62	178.8	-158	0	0	110.4	R341 Q394 K400	R341-E398 IonicContact CZ-OE1 2.83Å; R341-E398 IonicContact CZ-OE2 2.87Å; R341-E398 IonicContact NE-OE1 3.61Å; R341-E398 PolarHBondContact NE-OE1 3.08Å; R341-E398 IonicContact NE-OE2 2.68Å; R341-E398 IonicContact NH2-OE1 2.75Å; R341-E398 PolarHBondContact NH2-OE1 3.42Å; R341-E398 VanDerWaalsContact NH2-OE1 3.1Å; R341-E398 IonicContact NH2-OE2 3.17Å; R341-E398 PolarHBondContact NH2-OE2 3.19Å; Q394-E398 HydrophobicContact CG-CB 4.37Å; Q394-E398 HydrophobicContact CG-CG 4.27Å; Q394-E398 WeakPolarHBondContact CG-OE2 3.42Å; Q394-E398 PolarHBondContact NE2-OE2 2.97Å; Q394-E398 WeakPolarHBondContact O-CB 3.37Å; Q394-E398 PolarHBondContact O-N 3.33Å; E398-K400 VanDerWaalsContact C-N 3.34Å
399	E	97.8	Very high	98.1	Very high	35 Å²	35	28.8 Å²	28.8	16%	0.164	15%	0.145	C	C	.	.	S	Bend	trans	-77.6	-21.6	-179.3	-59.1	-67.9	169.5	0	0	112.9	K193 I195 L233 R333 Q394 R395 A401	K193-E399 VanDerWaalsContact CD-O 3.26Å; K193-E399 WeakPolarHBondContact CD-O 3.49Å; K193-E399 PolarHBondContact NZ-O 3.35Å; K193-E399 IonicContact NZ-OE2 3.26Å; K193-E399 PolarHBondContact NZ-OE2 3.25Å; I195-E399 HydrophobicContact CD1-CB 3.63Å; I195-E399 HydrophobicContact CD1-CG 3.93Å; L233-E399 HydrophobicContact CD2-CG 4.35Å; R333-E399 IonicContact CZ-OE1 2.74Å; R333-E399 VanDerWaalsContact CZ-OE1 3.32Å; R333-E399 IonicContact NH1-OE1 3.95Å; R333-E399 PolarHBondContact NH1-OE1 3.04Å; R333-E399 IonicContact NH2-OE1 2.9Å; R333-E399 PolarHBondContact NH2-OE1 3.02Å; Q394-E399 PolarHBondContact NE2-OE1 3.41Å; Q394-E399 PolarHBondContact O-N 3.11Å; Q394-E399 VanDerWaalsContact O-N 3.16Å; R395-E399 WeakPolarHBondContact O-CB 3.47Å; E399-A401 PolarHBondContact O-N 3.16Å
400	K	97.8	Very high	98	Very high	157 Å²	157	30.6 Å²	30.6	68%	0.683	16%	0.158	S	C	*	.			trans	55	46.7	-180	-57.2	-177.8	-177.1	-180	0	113.2	R395 L396 E398	R395-K400 PolarHBondContact O-N 2.95Å; L396-K400 WeakPolarHBondContact O-CA 3.39Å; E398-K400 VanDerWaalsContact C-N 3.34Å
401	A	97.9	Very high	97.8	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	19%	0.19	C	C	.	.			trans	-66.1	135.2	179.5	0	0	0	0	0	112.3	I195 R395 E399 I404 T434	I195-A401 HydrophobicContact CD1-CB 3.76Å; I195-A401 HydrophobicContact CG1-CB 3.85Å; R395-A401 PolarHBondContact O-N 3.49Å; E399-A401 PolarHBondContact O-N 3.16Å; A401-I404 HydrophobicContact CB-CD1 4.14Å; A401-I404 HydrophobicContact CB-CG1 3.62Å; A401-T434 WeakPolarHBondContact O-CG2 3.29Å
402	D	97.9	Very high	97.6	Very high	65 Å²	65	37.4 Å²	37.4	35%	0.348	21%	0.207	S	C	.	.	S	Bend	trans	-81.4	-25.8	169.5	-61.2	-85.5	0	0	0	111.6	K192 K193 T434 R435	K192-D402 VanDerWaalsContact CA-OD2 3.23Å; K192-D402 WeakPolarHBondContact CA-OD2 3.36Å; K192-D402 HydrophobicContact CB-CB 4.23Å; K192-D402 HydrophobicContact CG-CB 4.41Å; K193-D402 PolarHBondContact N-OD2 3.3Å; K193-D402 PolarHBondContact O-N 2.62Å; D402-T434 WeakPolarHBondContact O-CA 3.49Å; D402-T434 WeakPolarHBondContact O-CG2 3.39Å; D402-R435 PolarHBondContact O-N 3.01Å
403	M	98.3	Very high	97.5	Very high	24 Å²	24	39.1 Å²	39.1	12%	0.118	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.9	174.4	-171.9	176.5	-53.2	0	0	111.1	K193 V194 I195 F225 I405 R435	K193-M403 PolarHBondContact O-N 2.87Å; V194-M403 WeakPolarHBondContact CA-O 3.35Å; V194-M403 HydrophobicContact CG1-CB 4.3Å; V194-M403 HydrophobicContact CG2-CB 4.14Å; I195-M403 PolarHBondContact N-O 3.14Å; F225-M403 HydrophobicContact CE1-CE 4.28Å; F225-M403 HydrophobicContact CE1-SD 3.96Å; F225-M403 HydrophobicContact CZ-CE 4.45Å; F225-M403 HydrophobicContact CZ-SD 3.75Å; M403-I405 HydrophobicContact CG-CG1 4.12Å; M403-I405 HydrophobicContact SD-CD1 4.05Å; M403-I405 HydrophobicContact SD-CG1 4.16Å; M403-R435 CarbonylContact C-O 3.57Å; M403-R435 VanDerWaalsContact CA-O 3.23Å; M403-R435 WeakPolarHBondContact CA-O 3.44Å; M403-R435 HydrophobicContact CE-CB 4.06Å; M403-R435 HydrophobicContact CE-CG 4.33Å; M403-R435 HydrophobicContact CG-CB 3.97Å; M403-R435 HydrophobicContact CG-CG 4.26Å; M403-R435 VanDerWaalsContact CG-O 3.27Å; M403-R435 WeakPolarHBondContact CG-O 3.36Å; M403-R435 HydrophobicContact SD-CG 4.44Å
404	I	98.8	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124	174.2	-50.2	170	0	0	0	108.5	I195 R395 L396 A401 Y406 R435 V436 F437	I195-I404 HydrophobicContact CB-CG1 4.48Å; I195-I404 HydrophobicContact CB-CG2 4.3Å; I195-I404 HydrophobicContact CG2-CG2 4.5Å; I195-I404 WeakPolarHBondContact O-CA 3.4Å; R395-I404 HydrophobicContact CB-CD1 3.66Å; L396-I404 HydrophobicContact CD2-CD1 3.78Å; L396-I404 HydrophobicContact CG-CD1 3.95Å; A401-I404 HydrophobicContact CB-CD1 4.14Å; A401-I404 HydrophobicContact CB-CG1 3.62Å; I404-Y406 HydrophobicContact CB-CE2 4.13Å; I404-Y406 HydrophobicContact CG2-CD2 3.95Å; I404-Y406 HydrophobicContact CG2-CE2 3.34Å; I404-R435 PolarHBondContact N-O 3.41Å; I404-V436 HydrophobicContact CD1-CG2 4.49Å; I404-V436 WeakPolarHBondContact O-CA 3.13Å; I404-F437 PolarHBondContact O-N 3.35Å
405	I	98.9	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	-178.4	-54.7	174.5	0	0	0	108.7	V194 I195 V196 D197 I221 F225 M403 V407 A439 L592	V194-I405 HydrophobicContact CG1-CD1 4.12Å; V194-I405 HydrophobicContact CG1-CG1 4.49Å; I195-I405 PolarHBondContact O-N 2.83Å; V196-I405 HydrophobicContact CG1-CB 4.47Å; D197-I405 PolarHBondContact N-O 3.14Å; I221-I405 HydrophobicContact CG2-CD1 3.73Å; F225-I405 HydrophobicContact CD2-CD1 4.23Å; F225-I405 HydrophobicContact CE2-CD1 3.56Å; F225-I405 HydrophobicContact CZ-CD1 3.96Å; M403-I405 HydrophobicContact CG-CG1 4.12Å; M403-I405 HydrophobicContact SD-CD1 4.05Å; M403-I405 HydrophobicContact SD-CG1 4.16Å; I405-V407 HydrophobicContact CG2-CG2 4.04Å; I405-A439 HydrophobicContact CG2-CB 3.74Å; I405-L592 HydrophobicContact CD1-CD1 3.95Å; I405-L592 HydrophobicContact CD1-CD2 4.12Å; I405-L592 HydrophobicContact CG1-CD1 4.24Å; I405-L592 HydrophobicContact CG2-CD1 4.02Å
406	Y	98.8	Very high	97.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	109.7	176.9	-69.5	-97.6	0	0	0	109.8	D197 I392 R395 I404 V408 F416 F420 V436 F437 H438 A439	D197-Y406 HydrophobicContact CB-CD1 4.23Å; I392-Y406 WeakPolarHBondContact CB-OH 3.46Å; R395-Y406 PolarHBondContact NH1-OH 2.78Å; I404-Y406 HydrophobicContact CB-CE2 4.13Å; I404-Y406 HydrophobicContact CG2-CD2 3.95Å; I404-Y406 HydrophobicContact CG2-CE2 3.34Å; Y406-V408 PolarHBondContact O-N 2.7Å; Y406-F416 AromaticContact CD1-CD1 3.88Å; Y406-F416 HydrophobicContact CD1-CD1 3.88Å; Y406-F416 AromaticContact CD1-CE1 3.34Å; Y406-F416 HydrophobicContact CD1-CE1 3.34Å; Y406-F416 HydrophobicContact CD1-CZ 4.07Å; Y406-F416 HydrophobicContact CE1-CD1 4.35Å; Y406-F416 AromaticContact CE1-CE1 3.83Å; Y406-F416 HydrophobicContact CE1-CE1 3.83Å; Y406-F416 HydrophobicContact CG-CD1 4.09Å; Y406-F416 AromaticContact CG-CE1 3.97Å; Y406-F416 HydrophobicContact CG-CE1 3.97Å; Y406-F420 AromaticContact CD2-CE1 3.68Å; Y406-F420 HydrophobicContact CD2-CE1 3.68Å; Y406-F420 AromaticContact CD2-CZ 3.5Å; Y406-F420 HydrophobicContact CD2-CZ 3.5Å; Y406-F420 VanDerWaalsContact CD2-CZ 3.5Å; Y406-F420 AromaticContact CE2-CE1 3.59Å; Y406-F420 HydrophobicContact CE2-CE1 3.59Å; Y406-F420 AromaticContact CE2-CZ 3.93Å; Y406-F420 HydrophobicContact CE2-CZ 3.93Å; Y406-F420 HydrophobicContact CG-CE1 4.32Å; Y406-F420 HydrophobicContact CG-CZ 4.04Å; Y406-V436 HydrophobicContact CD2-CG1 4.28Å; Y406-V436 HydrophobicContact CE2-CG1 3.88Å; Y406-F437 PolarHBondContact N-O 2.79Å; Y406-H438 PolarHBondContact O-CD2 3.07Å; Y406-A439 PolarHBondContact O-N 2.81Å
407	V	98.7	Very high	97.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.259	C	S	.	.			trans	-99	83.2	-176.7	-169.2	0	0	0	0	109.5	V196 D197 F198 S214 I217 I221 I405 A439 F441	V196-V407 HydrophobicContact CG1-CG2 3.91Å; D197-V407 WeakPolarHBondContact O-CB 3.46Å; D197-V407 PolarHBondContact O-N 3.03Å; F198-V407 HydrophobicContact CB-CB 3.88Å; F198-V407 HydrophobicContact CB-CG2 4.13Å; S214-V407 WeakPolarHBondContact CB-O 3.2Å; S214-V407 PolarHBondContact OG-O 2.87Å; I217-V407 HydrophobicContact CB-CG1 4.1Å; I217-V407 HydrophobicContact CG2-CG1 3.84Å; I221-V407 HydrophobicContact CD1-CG2 4.38Å; I405-V407 HydrophobicContact CG2-CG2 4.04Å; V407-A439 HydrophobicContact CG2-CB 4.11Å; V407-F441 HydrophobicContact CG1-CD1 4.25Å; V407-F441 HydrophobicContact CG1-CE1 4.2Å
408	V	97.5	Very high	97.2	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	24%	0.24	C	C	.	.			trans	-129.8	164.5	-176.5	-171	0	0	0	0	110.2	Y406 Q412 F416 H438 G440 F441	Y406-V408 PolarHBondContact O-N 2.7Å; V408-Q412 HydrophobicContact CG1-CB 4.11Å; V408-Q412 HydrophobicContact CG1-CG 4.23Å; V408-F416 HydrophobicContact CB-CD2 4.44Å; V408-F416 HydrophobicContact CB-CE2 3.68Å; V408-F416 HydrophobicContact CB-CZ 4.33Å; V408-F416 HydrophobicContact CG1-CE2 3.87Å; V408-F416 HydrophobicContact CG2-CE2 3.64Å; V408-F416 HydrophobicContact CG2-CZ 3.77Å; V408-H438 PolarHBondContact O-NE2 3.32Å; V408-G440 VanDerWaalsContact O-CA 3.27Å; V408-G440 WeakPolarHBondContact O-CA 3.23Å; V408-F441 WeakPolarHBondContact O-CD1 3.12Å; V408-F441 WeakPolarHBondContact O-CE1 3.43Å; V408-F441 PolarHBondContact O-N 3.12Å
409	D	96.2	Very high	97.3	Very high	51 Å²	51	39.2 Å²	39.2	27%	0.273	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-62.9	147.2	-179.2	85.9	-92.2	0	0	0	112	G411 Q412 F441	D409-G411 PolarHBondContact O-N 3.11Å; D409-G411 WeakPolarHBondContact OD2-CA 3.48Å; D409-G411 PolarHBondContact OD2-N 3.14Å; D409-Q412 PolarHBondContact O-N 2.73Å; D409-Q412 PolarHBondContact OD1-NE2 3.5Å; D409-Q412 VanDerWaalsContact OD1-NE2 3.12Å; D409-F441 HydrophobicContact CB-CD2 4.36Å; D409-F441 HydrophobicContact CB-CE2 3.83Å; D409-F441 HydrophobicContact CB-CZ 4.11Å
410	S	95.8	Very high	97.3	Very high	39 Å²	39	37.8 Å²	37.8	27%	0.273	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-60.3	-20.7	-178.3	-68.7	0	0	0	0	113.7	Q412 S413 F441	S410-Q412 PolarHBondContact O-N 2.65Å; S410-S413 VanDerWaalsContact O-CB 3.28Å; S410-S413 WeakPolarHBondContact O-CB 3.4Å; S410-S413 PolarHBondContact O-N 2.74Å; S410-S413 VanDerWaalsContact O-N 3.11Å; S410-S413 PolarHBondContact O-OG 3.01Å; S410-F441 PolarHBondContact N-O 3.18Å; S410-F441 PolarHBondContact OG-N 3.49Å; S410-F441 PolarHBondContact OG-O 3.39Å
411	G	94.3	Very high	97.3	Very high	65 Å²	65	31.9 Å²	31.9	67%	0.67	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-63.7	-22.4	173.7	0	0	0	0	0	113.7	D409	D409-G411 PolarHBondContact O-N 3.11Å; D409-G411 WeakPolarHBondContact OD2-CA 3.48Å; D409-G411 PolarHBondContact OD2-N 3.14Å
412	Q	94.8	Very high	97.3	Very high	78 Å²	78	31.6 Å²	31.6	36%	0.364	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-94.5	8.3	174.7	-63.5	-173.4	48.5	0	0	113.6	V408 D409 S410 V414 H415 F416	V408-Q412 HydrophobicContact CG1-CB 4.11Å; V408-Q412 HydrophobicContact CG1-CG 4.23Å; D409-Q412 PolarHBondContact O-N 2.73Å; D409-Q412 PolarHBondContact OD1-NE2 3.5Å; D409-Q412 VanDerWaalsContact OD1-NE2 3.12Å; S410-Q412 PolarHBondContact O-N 2.65Å; Q412-V414 VanDerWaalsContact C-N 3.27Å; Q412-V414 PolarHBondContact O-N 2.87Å; Q412-H415 WeakPolarHBondContact O-CB 3.32Å; Q412-H415 PolarHBondContact O-N 2.95Å; Q412-H415 VanDerWaalsContact O-N 3.13Å; Q412-F416 HydrophobicContact CB-CD2 4.06Å; Q412-F416 HydrophobicContact CB-CE2 4.03Å; Q412-F416 WeakPolarHBondContact O-CD2 3.1Å; Q412-F416 PolarHBondContact O-N 2.58Å; Q412-F416 VanDerWaalsContact O-N 3.08Å
413	S	95.7	Very high	97.3	Very high	36 Å²	36	28.5 Å²	28.5	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-57.7	-40.4	-179.7	-59.2	0	0	0	0	112.5	S410 H415 F416 Q417 H438	S410-S413 VanDerWaalsContact O-CB 3.28Å; S410-S413 WeakPolarHBondContact O-CB 3.4Å; S410-S413 PolarHBondContact O-N 2.74Å; S410-S413 VanDerWaalsContact O-N 3.11Å; S410-S413 PolarHBondContact O-OG 3.01Å; S413-H415 VanDerWaalsContact C-N 3.32Å; S413-H415 PolarHBondContact O-N 2.96Å; S413-F416 PolarHBondContact O-N 3.32Å; S413-Q417 WeakPolarHBondContact O-CB 3.3Å; S413-Q417 WeakPolarHBondContact O-CG 3.38Å; S413-Q417 PolarHBondContact O-N 3.03Å; S413-H438 PolarHBondContact OG-CE1 3.18Å; S413-H438 PolarHBondContact OG-ND1 2.88Å
414	V	96.3	Very high	97.2	Very high	87 Å²	87	32 Å²	32	53%	0.527	19%	0.19	S	C	.	.	H	α-helix	trans	-62.4	-42.8	179.4	176.8	0	0	0	0	111	I371 Q412 T418	I371-V414 HydrophobicContact CD1-CG1 3.78Å; Q412-V414 VanDerWaalsContact C-N 3.27Å; Q412-V414 PolarHBondContact O-N 2.87Å; V414-T418 WeakPolarHBondContact O-CB 3.33Å; V414-T418 PolarHBondContact O-N 3.37Å; V414-T418 VanDerWaalsContact O-N 3.09Å; V414-T418 PolarHBondContact O-OG1 2.96Å
415	H	97.1	Very high	97.1	Very high	37 Å²	37	34.3 Å²	34.3	17%	0.171	20%	0.201	C	C	.	.	H	α-helix	trans	-59	-58.8	176.3	175	66.3	0	0	0	111.3	D385 D388 Q412 S413 Q417 T418 I419	D385-H415 IonicContact OD1-CE1 3.21Å; D385-H415 PolarHBondContact OD1-CE1 2.93Å; D385-H415 IonicContact OD1-ND1 2.67Å; D385-H415 PolarHBondContact OD1-ND1 3.2Å; D388-H415 IonicContact OD2-CD2 2.65Å; D388-H415 IonicContact OD2-CE1 2.8Å; D388-H415 IonicContact OD2-NE2 2.67Å; D388-H415 PolarHBondContact OD2-NE2 2.71Å; Q412-H415 WeakPolarHBondContact O-CB 3.32Å; Q412-H415 PolarHBondContact O-N 2.95Å; Q412-H415 VanDerWaalsContact O-N 3.13Å; S413-H415 VanDerWaalsContact C-N 3.32Å; S413-H415 PolarHBondContact O-N 2.96Å; H415-Q417 PolarHBondContact O-N 3.29Å; H415-T418 WeakPolarHBondContact O-CA 3.4Å; H415-T418 WeakPolarHBondContact O-CB 3.36Å; H415-T418 PolarHBondContact O-N 3.31Å; H415-I419 WeakPolarHBondContact O-CG1 3.3Å; H415-I419 PolarHBondContact O-N 2.75Å
416	F	97.6	Very high	97.1	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-41.4	-177.2	-79.1	-68.2	0	0	0	113.3	Y406 V408 Q412 S413 T418 I419 F420 H438	Y406-F416 AromaticContact CD1-CD1 3.88Å; Y406-F416 HydrophobicContact CD1-CD1 3.88Å; Y406-F416 AromaticContact CD1-CE1 3.34Å; Y406-F416 HydrophobicContact CD1-CE1 3.34Å; Y406-F416 HydrophobicContact CD1-CZ 4.07Å; Y406-F416 HydrophobicContact CE1-CD1 4.35Å; Y406-F416 AromaticContact CE1-CE1 3.83Å; Y406-F416 HydrophobicContact CE1-CE1 3.83Å; Y406-F416 HydrophobicContact CG-CD1 4.09Å; Y406-F416 AromaticContact CG-CE1 3.97Å; Y406-F416 HydrophobicContact CG-CE1 3.97Å; V408-F416 HydrophobicContact CB-CD2 4.44Å; V408-F416 HydrophobicContact CB-CE2 3.68Å; V408-F416 HydrophobicContact CB-CZ 4.33Å; V408-F416 HydrophobicContact CG1-CE2 3.87Å; V408-F416 HydrophobicContact CG2-CE2 3.64Å; V408-F416 HydrophobicContact CG2-CZ 3.77Å; Q412-F416 HydrophobicContact CB-CD2 4.06Å; Q412-F416 HydrophobicContact CB-CE2 4.03Å; Q412-F416 WeakPolarHBondContact O-CD2 3.1Å; Q412-F416 PolarHBondContact O-N 2.58Å; Q412-F416 VanDerWaalsContact O-N 3.08Å; S413-F416 PolarHBondContact O-N 3.32Å; F416-T418 VanDerWaalsContact C-N 3.25Å; F416-T418 PolarHBondContact O-N 3.24Å; F416-I419 PolarHBondContact O-N 3.42Å; F416-F420 HydrophobicContact CB-CE1 4.25Å; F416-F420 HydrophobicContact CB-CE2 4.01Å; F416-F420 HydrophobicContact CB-CZ 3.77Å; F416-F420 AromaticContact CD1-CE1 3.93Å; F416-F420 HydrophobicContact CD1-CE1 3.93Å; F416-F420 AromaticContact CD1-CZ 3.9Å; F416-F420 HydrophobicContact CD1-CZ 3.9Å; F416-F420 HydrophobicContact CG-CZ 4.19Å; F416-F420 WeakPolarHBondContact O-CB 3.44Å; F416-F420 WeakPolarHBondContact O-CD1 3.4Å; F416-F420 VanDerWaalsContact O-CD2 3.3Å; F416-F420 WeakPolarHBondContact O-CD2 3.42Å; F416-F420 WeakPolarHBondContact O-CG 3.47Å; F416-F420 PolarHBondContact O-N 3.18Å; F416-H438 HydrophobicContact CB-CB 4.34Å; F416-H438 AromaticContact CD2-CD2 3.75Å; F416-H438 AromaticContact CD2-NE2 3.87Å
417	Q	96.9	Very high	97	Very high	104 Å²	104	37.6 Å²	37.6	49%	0.486	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-35.2	176	-66.8	-58.3	-39.4	0	0	111.9	S413 H415 A421	S413-Q417 WeakPolarHBondContact O-CB 3.3Å; S413-Q417 WeakPolarHBondContact O-CG 3.38Å; S413-Q417 PolarHBondContact O-N 3.03Å; H415-Q417 PolarHBondContact O-N 3.29Å; Q417-A421 VanDerWaalsContact O-CB 3.28Å; Q417-A421 WeakPolarHBondContact O-CB 3.47Å; Q417-A421 PolarHBondContact O-N 3.09Å
418	T	97.8	Very high	97	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	24%	0.24	C	C	.	.	H	α-helix	trans	-69.3	-42.7	175.3	-52.3	0	0	0	0	111.4	V366 C369 L373 V414 H415 F416 A421 A422	V366-T418 HydrophobicContact CB-CG2 4.17Å; V366-T418 HydrophobicContact CG2-CG2 3.82Å; C369-T418 HydrophobicContact CB-CG2 4.08Å; L373-T418 HydrophobicContact CD1-CG2 4.22Å; L373-T418 HydrophobicContact CD2-CG2 3.63Å; L373-T418 HydrophobicContact CG-CG2 3.73Å; V414-T418 WeakPolarHBondContact O-CB 3.33Å; V414-T418 PolarHBondContact O-N 3.37Å; V414-T418 VanDerWaalsContact O-N 3.09Å; V414-T418 PolarHBondContact O-OG1 2.96Å; H415-T418 WeakPolarHBondContact O-CA 3.4Å; H415-T418 WeakPolarHBondContact O-CB 3.36Å; H415-T418 PolarHBondContact O-N 3.31Å; F416-T418 VanDerWaalsContact C-N 3.25Å; F416-T418 PolarHBondContact O-N 3.24Å; T418-A421 PolarHBondContact O-N 2.93Å; T418-A422 WeakPolarHBondContact O-CB 3.31Å; T418-A422 PolarHBondContact O-N 3.34Å
419	I	98.2	Very high	97	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-44.6	174.8	-65	-72.3	0	0	0	111.2	L373 D385 D388 L389 I392 H415 F416 A422 A423	L373-I419 HydrophobicContact CD1-CD1 3.91Å; L373-I419 HydrophobicContact CD2-CD1 3.85Å; L373-I419 HydrophobicContact CD2-CG1 4.34Å; D385-I419 HydrophobicContact CB-CD1 4.48Å; D388-I419 HydrophobicContact CB-CD1 4.25Å; D388-I419 HydrophobicContact CB-CG1 4.44Å; D388-I419 HydrophobicContact CB-CG2 4.49Å; L389-I419 HydrophobicContact CD2-CD1 4.09Å; L389-I419 HydrophobicContact CD2-CG2 4.2Å; L389-I419 HydrophobicContact CG-CD1 3.76Å; I392-I419 HydrophobicContact CD1-CG2 4.49Å; I392-I419 HydrophobicContact CG2-CG2 4.25Å; H415-I419 WeakPolarHBondContact O-CG1 3.3Å; H415-I419 PolarHBondContact O-N 2.75Å; F416-I419 PolarHBondContact O-N 3.42Å; I419-A422 PolarHBondContact O-N 3.08Å; I419-A423 WeakPolarHBondContact O-CB 3.45Å; I419-A423 PolarHBondContact O-N 3.27Å
420	F	98.1	Very high	97.1	Very high	6 Å²	6	41 Å²	41	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-44.4	179.2	-58.9	-15.5	0	0	0	111.3	I392 Y406 F416 A422 A423 H424 Y429 V436 H438	I392-F420 HydrophobicContact CD1-CD1 3.79Å; I392-F420 HydrophobicContact CD1-CE1 4.25Å; Y406-F420 AromaticContact CD2-CE1 3.68Å; Y406-F420 HydrophobicContact CD2-CE1 3.68Å; Y406-F420 AromaticContact CD2-CZ 3.5Å; Y406-F420 HydrophobicContact CD2-CZ 3.5Å; Y406-F420 VanDerWaalsContact CD2-CZ 3.5Å; Y406-F420 AromaticContact CE2-CE1 3.59Å; Y406-F420 HydrophobicContact CE2-CE1 3.59Å; Y406-F420 AromaticContact CE2-CZ 3.93Å; Y406-F420 HydrophobicContact CE2-CZ 3.93Å; Y406-F420 HydrophobicContact CG-CE1 4.32Å; Y406-F420 HydrophobicContact CG-CZ 4.04Å; F416-F420 HydrophobicContact CB-CE1 4.25Å; F416-F420 HydrophobicContact CB-CE2 4.01Å; F416-F420 HydrophobicContact CB-CZ 3.77Å; F416-F420 AromaticContact CD1-CE1 3.93Å; F416-F420 HydrophobicContact CD1-CE1 3.93Å; F416-F420 AromaticContact CD1-CZ 3.9Å; F416-F420 HydrophobicContact CD1-CZ 3.9Å; F416-F420 HydrophobicContact CG-CZ 4.19Å; F416-F420 WeakPolarHBondContact O-CB 3.44Å; F416-F420 WeakPolarHBondContact O-CD1 3.4Å; F416-F420 VanDerWaalsContact O-CD2 3.3Å; F416-F420 WeakPolarHBondContact O-CD2 3.42Å; F416-F420 WeakPolarHBondContact O-CG 3.47Å; F416-F420 PolarHBondContact O-N 3.18Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-A422 PolarHBondContact O-N 2.85Å; F420-A423 PolarHBondContact O-N 3.38Å; F420-H424 PolarHBondContact O-N 2.81Å; F420-Y429 PolarHBondContact O-OH 2.83Å; F420-V436 HydrophobicContact CD1-CG1 3.53Å; F420-V436 HydrophobicContact CD2-CG1 4.14Å; F420-V436 HydrophobicContact CE1-CG1 3.48Å; F420-V436 VanDerWaalsContact CE1-CG1 3.48Å; F420-V436 HydrophobicContact CE2-CG1 4.08Å; F420-V436 HydrophobicContact CG-CG1 3.88Å; F420-V436 HydrophobicContact CZ-CG1 3.77Å; F420-H438 HydrophobicContact CE2-CB 3.92Å; F420-H438 HydrophobicContact CZ-CB 4.38Å
421	A	97.6	Very high	97	Very high	32 Å²	32	42.6 Å²	42.6	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-37.6	175.8	0	0	0	0	0	111.9	V366 Q417 T418 H424 M425	V366-A421 HydrophobicContact CG1-CB 3.45Å; V366-A421 VanDerWaalsContact CG1-CB 3.45Å; Q417-A421 VanDerWaalsContact O-CB 3.28Å; Q417-A421 WeakPolarHBondContact O-CB 3.47Å; Q417-A421 PolarHBondContact O-N 3.09Å; T418-A421 PolarHBondContact O-N 2.93Å; A421-H424 PolarHBondContact O-N 3.01Å; A421-M425 VanDerWaalsContact O-CB 3.29Å; A421-M425 WeakPolarHBondContact O-CB 3.28Å; A421-M425 PolarHBondContact O-N 3.2Å
422	A	97.9	Very high	97	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-45	173.5	0	0	0	0	0	112.2	V366 L373 L389 T418 I419 F420 H424 M425 I426	V366-A422 HydrophobicContact CG2-CB 3.72Å; L373-A422 HydrophobicContact CD1-CB 3.76Å; L389-A422 HydrophobicContact CD2-CB 4.11Å; T418-A422 WeakPolarHBondContact O-CB 3.31Å; T418-A422 PolarHBondContact O-N 3.34Å; I419-A422 PolarHBondContact O-N 3.08Å; F420-A422 VanDerWaalsContact C-N 3.33Å; F420-A422 PolarHBondContact O-N 2.85Å; A422-H424 VanDerWaalsContact C-N 3.32Å; A422-H424 PolarHBondContact O-N 3.43Å; A422-M425 WeakPolarHBondContact O-CB 3.1Å; A422-M425 PolarHBondContact O-N 3.5Å; A422-I426 WeakPolarHBondContact O-CG2 3.21Å; A422-I426 PolarHBondContact O-N 3.13Å
423	A	98.1	Very high	97	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-37.6	177.5	0	0	0	0	0	112.3	I392 I419 F420 I426 G427 W428 Y429	I392-A423 HydrophobicContact CD1-CB 3.94Å; I392-A423 HydrophobicContact CG2-CB 4.29Å; I419-A423 WeakPolarHBondContact O-CB 3.45Å; I419-A423 PolarHBondContact O-N 3.27Å; F420-A423 PolarHBondContact O-N 3.38Å; A423-I426 WeakPolarHBondContact O-CG2 3.31Å; A423-G427 PolarHBondContact O-N 3.37Å; A423-W428 HydrophobicContact CB-CE3 3.64Å; A423-W428 HydrophobicContact CB-CZ3 4.21Å; A423-W428 WeakPolarHBondContact O-CB 3.45Å; A423-W428 PolarHBondContact O-N 2.64Å; A423-Y429 HydrophobicContact CB-CD1 4.13Å; A423-Y429 HydrophobicContact CB-CE1 3.85Å
424	H	97.2	Very high	97.1	Very high	97 Å²	97	49.6 Å²	49.6	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-68.7	-43.4	171.8	174.2	-126.5	0	0	0	111.8	F420 A421 A422 I426 G427 Y429	F420-H424 PolarHBondContact O-N 2.81Å; A421-H424 PolarHBondContact O-N 3.01Å; A422-H424 VanDerWaalsContact C-N 3.32Å; A422-H424 PolarHBondContact O-N 3.43Å; H424-I426 VanDerWaalsContact C-N 3.33Å; H424-I426 PolarHBondContact O-N 3.13Å; H424-G427 WeakPolarHBondContact O-CA 3.43Å; H424-G427 PolarHBondContact O-N 2.91Å; H424-Y429 HydrophobicContact CB-CE1 4.05Å; H424-Y429 PolarHBondContact CD2-O 2.91Å
425	M	96.9	Very high	97.1	Very high	48 Å²	48	48.7 Å²	48.7	24%	0.236	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-42.5	179.7	177.5	-174.8	74.5	0	0	112.7	F349 F354 V364 P367 A421 A422 G427	F349-M425 HydrophobicContact CE1-CE 4.3Å; F354-M425 HydrophobicContact CB-CE 4.25Å; F354-M425 HydrophobicContact CD1-CE 4Å; F354-M425 HydrophobicContact CD1-SD 4.35Å; F354-M425 HydrophobicContact CD2-CE 4.12Å; F354-M425 HydrophobicContact CE1-CE 4.36Å; F354-M425 HydrophobicContact CE1-CG 4.35Å; F354-M425 HydrophobicContact CE1-SD 4.35Å; F354-M425 HydrophobicContact CE2-CE 4.46Å; F354-M425 HydrophobicContact CG-CE 3.88Å; F354-M425 HydrophobicContact CZ-CG 4.3Å; V364-M425 HydrophobicContact CG1-CE 3.94Å; P367-M425 WeakPolarHBondContact CD-SD 3.36Å; P367-M425 HydrophobicContact CG-SD 4.13Å; A421-M425 VanDerWaalsContact O-CB 3.29Å; A421-M425 WeakPolarHBondContact O-CB 3.28Å; A421-M425 PolarHBondContact O-N 3.2Å; A422-M425 WeakPolarHBondContact O-CB 3.1Å; A422-M425 PolarHBondContact O-N 3.5Å; M425-G427 PolarHBondContact O-N 2.72Å
426	I	97.3	Very high	97.2	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.062	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.7	178.2	-162.7	159.2	0	0	0	113	E348 F349 R352 F354 A422 A423 H424 W428	E348-I426 HydrophobicContact CG-CD1 4.04Å; F349-I426 HydrophobicContact CD1-CD1 4.02Å; F349-I426 HydrophobicContact CD2-CD1 3.86Å; F349-I426 HydrophobicContact CE1-CD1 3.96Å; F349-I426 HydrophobicContact CE2-CD1 3.81Å; F349-I426 HydrophobicContact CG-CD1 3.97Å; F349-I426 HydrophobicContact CZ-CB 4.48Å; F349-I426 HydrophobicContact CZ-CD1 3.86Å; F349-I426 HydrophobicContact CZ-CG2 4.31Å; R352-I426 HydrophobicContact CG-CD1 4.24Å; R352-I426 HydrophobicContact CG-CG1 4.3Å; F354-I426 HydrophobicContact CD2-CD1 4.22Å; F354-I426 HydrophobicContact CD2-CG1 4.33Å; F354-I426 HydrophobicContact CE2-CB 4.18Å; F354-I426 HydrophobicContact CE2-CD1 4.36Å; F354-I426 HydrophobicContact CE2-CG1 3.98Å; A422-I426 WeakPolarHBondContact O-CG2 3.21Å; A422-I426 PolarHBondContact O-N 3.13Å; A423-I426 WeakPolarHBondContact O-CG2 3.31Å; H424-I426 VanDerWaalsContact C-N 3.33Å; H424-I426 PolarHBondContact O-N 3.13Å; I426-W428 HydrophobicContact CD1-CZ2 4.37Å; I426-W428 HydrophobicContact CG2-CD2 3.51Å; I426-W428 VanDerWaalsContact CG2-CE2 3.42Å; I426-W428 HydrophobicContact CG2-CE3 4.12Å; I426-W428 HydrophobicContact CG2-CG 3.7Å; I426-W428 HydrophobicContact CG2-CZ2 3.97Å
427	G	97.1	Very high	97.2	Very high	59 Å²	59	50.3 Å²	50.3	61%	0.608	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	27.5	173.4	0	0	0	0	0	115	A423 H424 M425	A423-G427 PolarHBondContact O-N 3.37Å; H424-G427 WeakPolarHBondContact O-CA 3.43Å; H424-G427 PolarHBondContact O-N 2.91Å; M425-G427 PolarHBondContact O-N 2.72Å
428	W	98.3	Very high	97.3	Very high	40 Å²	40	46 Å²	46	15%	0.152	25%	0.247	C	C	.	.	S	Bend	trans	-77.1	-25.4	178.9	-66.2	-18.2	0	0	0	113.9	I345 E348 F349 L389 I392 K393 L396 A423 I426	I345-W428 HydrophobicContact CD1-CH2 3.87Å; I345-W428 HydrophobicContact CD1-CZ2 3.94Å; I345-W428 HydrophobicContact CG2-CH2 4.27Å; E348-W428 PolarHBondContact OE1-NE1 3.13Å; E348-W428 VanDerWaalsContact OE1-NE1 3.12Å; E348-W428 WeakPolarHBondContact OE2-CZ2 3.43Å; F349-W428 AromaticContact CE2-CH2 3.7Å; F349-W428 HydrophobicContact CE2-CH2 3.7Å; F349-W428 AromaticContact CE2-CZ2 3.89Å; F349-W428 HydrophobicContact CE2-CZ2 3.89Å; F349-W428 HydrophobicContact CZ-CH2 4.25Å; L389-W428 HydrophobicContact CB-CH2 4.4Å; L389-W428 HydrophobicContact CD2-CH2 4.35Å; L389-W428 HydrophobicContact CD2-CZ3 4.06Å; L389-W428 WeakPolarHBondContact O-CZ3 3.42Å; I392-W428 HydrophobicContact CG2-CE3 4.11Å; I392-W428 HydrophobicContact CG2-CZ3 3.79Å; K393-W428 HydrophobicContact CB-CD2 4.13Å; K393-W428 HydrophobicContact CB-CE3 3.9Å; K393-W428 HydrophobicContact CB-CH2 3.93Å; K393-W428 HydrophobicContact CB-CZ2 4.15Å; K393-W428 HydrophobicContact CB-CZ3 3.81Å; K393-W428 HydrophobicContact CD-CD2 4.45Å; K393-W428 HydrophobicContact CD-CH2 4.25Å; K393-W428 HydrophobicContact CD-CZ2 3.71Å; K393-W428 HydrophobicContact CG-CD2 4.04Å; K393-W428 HydrophobicContact CG-CE3 4.34Å; K393-W428 HydrophobicContact CG-CH2 4.4Å; K393-W428 HydrophobicContact CG-CZ2 4.12Å; L396-W428 HydrophobicContact CD1-CB 4.03Å; A423-W428 HydrophobicContact CB-CE3 3.64Å; A423-W428 HydrophobicContact CB-CZ3 4.21Å; A423-W428 WeakPolarHBondContact O-CB 3.45Å; A423-W428 PolarHBondContact O-N 2.64Å; I426-W428 HydrophobicContact CD1-CZ2 4.37Å; I426-W428 HydrophobicContact CG2-CD2 3.51Å; I426-W428 VanDerWaalsContact CG2-CE2 3.42Å; I426-W428 HydrophobicContact CG2-CE3 4.12Å; I426-W428 HydrophobicContact CG2-CG 3.7Å; I426-W428 HydrophobicContact CG2-CZ2 3.97Å
429	Y	98.3	Very high	97.3	Very high	30 Å²	30	45.7 Å²	45.7	12%	0.118	25%	0.245	C	C	.	.			trans	-155.5	161.4	175.6	79.5	-72.9	0	0	0	112.1	L396 F420 A423 H424 P431 V436	L396-Y429 HydrophobicContact CD1-CD1 3.98Å; L396-Y429 HydrophobicContact CD1-CG 4.25Å; L396-Y429 HydrophobicContact CD2-CG 4.46Å; F420-Y429 PolarHBondContact O-OH 2.83Å; A423-Y429 HydrophobicContact CB-CD1 4.13Å; A423-Y429 HydrophobicContact CB-CE1 3.85Å; H424-Y429 HydrophobicContact CB-CE1 4.05Å; H424-Y429 PolarHBondContact CD2-O 2.91Å; Y429-P431 HydrophobicContact CE2-CB 4.38Å; Y429-P431 HydrophobicContact CE2-CG 4.01Å; Y429-V436 HydrophobicContact CD2-CG2 3.94Å; Y429-V436 HydrophobicContact CE1-CG2 4.38Å; Y429-V436 HydrophobicContact CE2-CB 4.07Å; Y429-V436 HydrophobicContact CE2-CG2 3.67Å; Y429-V436 HydrophobicContact CG-CG2 4.4Å
430	D	97.3	Very high	97.3	Very high	75 Å²	75	45.7 Å²	45.7	40%	0.401	25%	0.245	S	C	.	.			trans	-106.6	124.2	169.2	-179.8	-18.4	0	0	0	109	K432 V433 T434	D430-K432 PolarHBondContact O-N 2.94Å; D430-K432 WeakPolarHBondContact OD1-CB 3.38Å; D430-K432 PolarHBondContact OD1-N 3.46Å; D430-V433 HydrophobicContact CB-CB 4.17Å; D430-V433 HydrophobicContact CB-CG2 3.92Å; D430-V433 PolarHBondContact O-N 2.96Å; D430-T434 PolarHBondContact O-N 3.32Å
431	P	94.8	Very high	97.3	Very high	73 Å²	73	45.9 Å²	45.9	47%	0.474	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.3	177.5	-26.2	34.4	0	0	0	115.6	Y429	Y429-P431 HydrophobicContact CE2-CB 4.38Å; Y429-P431 HydrophobicContact CE2-CG 4.01Å
432	K	93.9	Very high	97.2	Very high	194 Å²	194	44.6 Å²	44.6	84%	0.843	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.4	175.1	-63.5	-179.6	-178.1	176.4	0	113.2	D430	D430-K432 PolarHBondContact O-N 2.94Å; D430-K432 WeakPolarHBondContact OD1-CB 3.38Å; D430-K432 PolarHBondContact OD1-N 3.46Å
433	V	95	Very high	97	Very high	111 Å²	111	48.1 Å²	48.1	67%	0.673	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-49.8	-177.8	179.3	0	0	0	0	110.4	D430	D430-V433 HydrophobicContact CB-CB 4.17Å; D430-V433 HydrophobicContact CB-CG2 3.92Å; D430-V433 PolarHBondContact O-N 2.96Å
434	T	97.3	Very high	96.7	Very high	21 Å²	21	48.6 Å²	48.6	13%	0.129	26%	0.26	C	S	.	.	S	Bend	trans	-118	123.9	-178.1	-56.9	0	0	0	0	109.4	L396 A401 D402 D430 V436	L396-T434 HydrophobicContact CD2-CG2 3.81Å; A401-T434 WeakPolarHBondContact O-CG2 3.29Å; D402-T434 WeakPolarHBondContact O-CA 3.49Å; D402-T434 WeakPolarHBondContact O-CG2 3.39Å; D430-T434 PolarHBondContact O-N 3.32Å; T434-V436 HydrophobicContact CG2-CG2 4.37Å; T434-V436 PolarHBondContact O-N 2.95Å
435	R	97.3	Very high	96.6	Very high	68 Å²	68	45 Å²	45	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.5	178.7	-178.2	178	175.6	-172	0	109.8	D402 M403 I404 F437 L589 D590	D402-R435 PolarHBondContact O-N 3.01Å; M403-R435 CarbonylContact C-O 3.57Å; M403-R435 VanDerWaalsContact CA-O 3.23Å; M403-R435 WeakPolarHBondContact CA-O 3.44Å; M403-R435 HydrophobicContact CE-CB 4.06Å; M403-R435 HydrophobicContact CE-CG 4.33Å; M403-R435 HydrophobicContact CG-CB 3.97Å; M403-R435 HydrophobicContact CG-CG 4.26Å; M403-R435 VanDerWaalsContact CG-O 3.27Å; M403-R435 WeakPolarHBondContact CG-O 3.36Å; M403-R435 HydrophobicContact SD-CG 4.44Å; I404-R435 PolarHBondContact N-O 3.41Å; R435-F437 HydrophobicContact CG-CB 4.48Å; R435-L589 PolarHBondContact NH1-O 3.42Å; R435-D590 VanDerWaalsContact CZ-O 3.22Å; R435-D590 PolarHBondContact NH1-O 3.4Å; R435-D590 PolarHBondContact NH2-O 2.98Å
436	V	98.3	Very high	96.3	Very high	19 Å²	19	43 Å²	43	12%	0.115	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.7	169	-176.9	0	0	0	0	108.2	I392 I404 Y406 F420 Y429 T434	I392-V436 HydrophobicContact CD1-CG1 4.11Å; I404-V436 HydrophobicContact CD1-CG2 4.49Å; I404-V436 WeakPolarHBondContact O-CA 3.13Å; Y406-V436 HydrophobicContact CD2-CG1 4.28Å; Y406-V436 HydrophobicContact CE2-CG1 3.88Å; F420-V436 HydrophobicContact CD1-CG1 3.53Å; F420-V436 HydrophobicContact CD2-CG1 4.14Å; F420-V436 HydrophobicContact CE1-CG1 3.48Å; F420-V436 VanDerWaalsContact CE1-CG1 3.48Å; F420-V436 HydrophobicContact CE2-CG1 4.08Å; F420-V436 HydrophobicContact CG-CG1 3.88Å; F420-V436 HydrophobicContact CZ-CG1 3.77Å; Y429-V436 HydrophobicContact CD2-CG2 3.94Å; Y429-V436 HydrophobicContact CE1-CG2 4.38Å; Y429-V436 HydrophobicContact CE2-CB 4.07Å; Y429-V436 HydrophobicContact CE2-CG2 3.67Å; Y429-V436 HydrophobicContact CG-CG2 4.4Å; T434-V436 HydrophobicContact CG2-CG2 4.37Å; T434-V436 PolarHBondContact O-N 2.95Å
437	F	98	Very high	95.9	Very high	60 Å²	60	48.2 Å²	48.2	26%	0.263	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.8	-169.2	-169.6	-92.6	0	0	0	113.1	I404 Y406 R435 A439 L592	I404-F437 PolarHBondContact O-N 3.35Å; Y406-F437 PolarHBondContact N-O 2.79Å; R435-F437 HydrophobicContact CG-CB 4.48Å; F437-A439 HydrophobicContact CD1-CB 4.31Å; F437-A439 HydrophobicContact CE1-CB 4.36Å; F437-L592 HydrophobicContact CD1-CD1 3.52Å; F437-L592 HydrophobicContact CE1-CD1 3.83Å; F437-L592 HydrophobicContact CG-CD1 4.23Å
438	H	98.5	Very high	95.6	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.065	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.3	170.9	179.6	-128.2	0	0	0	110.3	Y406 V408 S413 F416 F420 G440	Y406-H438 PolarHBondContact O-CD2 3.07Å; V408-H438 PolarHBondContact O-NE2 3.32Å; S413-H438 PolarHBondContact OG-CE1 3.18Å; S413-H438 PolarHBondContact OG-ND1 2.88Å; F416-H438 HydrophobicContact CB-CB 4.34Å; F416-H438 AromaticContact CD2-CD2 3.75Å; F416-H438 AromaticContact CD2-NE2 3.87Å; F420-H438 HydrophobicContact CE2-CB 3.92Å; F420-H438 HydrophobicContact CZ-CB 4.38Å; H438-G440 PolarHBondContact O-N 2.69Å
439	A	98.3	Very high	95.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.			trans	-82.6	68	173.2	0	0	0	0	0	110.7	I221 I405 Y406 V407 F437	I221-A439 HydrophobicContact CD1-CB 4.43Å; I405-A439 HydrophobicContact CG2-CB 3.74Å; Y406-A439 PolarHBondContact O-N 2.81Å; V407-A439 HydrophobicContact CG2-CB 4.11Å; F437-A439 HydrophobicContact CD1-CB 4.31Å; F437-A439 HydrophobicContact CE1-CB 4.36Å
440	G	97.9	Very high	94.8	Very high	1 Å²	1	61 Å²	61	1%	0.01	31%	0.305	C	S	.	.			trans	-57.9	150.4	179.4	0	0	0	0	0	114.5	V408 H438 R512 L513	V408-G440 VanDerWaalsContact O-CA 3.27Å; V408-G440 WeakPolarHBondContact O-CA 3.23Å; H438-G440 PolarHBondContact O-N 2.69Å; G440-R512 PolarHBondContact O-NH1 2.99Å; G440-L513 WeakPolarHBondContact O-CD2 3.49Å
441	F	98.2	Very high	94.2	Very high	9 Å²	9	64.9 Å²	64.9	4%	0.039	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-140.4	152.1	169.4	58.4	-97.7	0	0	0	113.9	G210 R213 I217 V407 V408 D409 S410 R512	G210-F441 WeakPolarHBondContact O-CE2 3.42Å; G210-F441 WeakPolarHBondContact O-CZ 3.49Å; R213-F441 HydrophobicContact CB-CD2 3.92Å; R213-F441 HydrophobicContact CB-CE2 3.85Å; R213-F441 HydrophobicContact CB-CG 4.42Å; R213-F441 HydrophobicContact CB-CZ 4.29Å; R213-F441 HydrophobicContact CG-CD2 4.49Å; I217-F441 HydrophobicContact CD1-CB 4.02Å; I217-F441 HydrophobicContact CD1-CD1 4.26Å; I217-F441 HydrophobicContact CD1-CG 4.23Å; V407-F441 HydrophobicContact CG1-CD1 4.25Å; V407-F441 HydrophobicContact CG1-CE1 4.2Å; V408-F441 WeakPolarHBondContact O-CD1 3.12Å; V408-F441 WeakPolarHBondContact O-CE1 3.43Å; V408-F441 PolarHBondContact O-N 3.12Å; D409-F441 HydrophobicContact CB-CD2 4.36Å; D409-F441 HydrophobicContact CB-CE2 3.83Å; D409-F441 HydrophobicContact CB-CZ 4.11Å; S410-F441 PolarHBondContact N-O 3.18Å; S410-F441 PolarHBondContact OG-N 3.49Å; S410-F441 PolarHBondContact OG-O 3.39Å; F441-R512 CarbonylContact C-O 3.41Å; F441-R512 WeakPolarHBondContact CA-O 3.3Å; F441-R512 HydrophobicContact CB-CB 4.3Å; F441-R512 VanDerWaalsContact CB-O 3.24Å; F441-R512 WeakPolarHBondContact CB-O 3.19Å
442	G	95.6	Very high	93.8	Very high	6 Å²	6	63.4 Å²	63.4	6%	0.062	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-74	173.8	179.9	0	0	0	0	0	113.9	R213 R512 N514	R213-G442 PolarHBondContact NH1-O 3.21Å; G442-R512 PolarHBondContact N-O 2.95Å; G442-N514 WeakPolarHBondContact CA-O 3.22Å
443	V	93.8	Very high	93.1	Very high	73 Å²	73	59.9 Å²	59.9	44%	0.442	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-79.6	160	-176.1	-62.2	0	0	0	0	112.3	L445 D515 Y516	V443-L445 HydrophobicContact CG2-CD2 3.8Å; V443-L445 HydrophobicContact CG2-CG 4.3Å; V443-D515 HydrophobicContact CG2-CB 4.37Å; V443-D515 VanDerWaalsContact CG2-OD1 3.28Å; V443-D515 WeakPolarHBondContact CG2-OD1 2.97Å; V443-D515 PolarHBondContact N-OD1 2.83Å; V443-D515 CarbonylContact O-C 3.42Å; V443-D515 WeakPolarHBondContact O-CA 3.39Å; V443-Y516 PolarHBondContact O-N 2.87Å
444	V	92.6	Very high	91.9	Very high	10 Å²	10	57.1 Å²	57.1	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.9	173.5	-173.1	0	0	0	0	109.8	V209 R213 F452 Y516 F518	V209-V444 HydrophobicContact CB-CB 4.18Å; V209-V444 HydrophobicContact CB-CG1 4.11Å; V209-V444 HydrophobicContact CB-CG2 3.98Å; V209-V444 HydrophobicContact CG2-CB 3.62Å; V209-V444 HydrophobicContact CG2-CG1 3.83Å; V209-V444 HydrophobicContact CG2-CG2 3.84Å; R213-V444 HydrophobicContact CG-CG2 3.67Å; V444-F452 HydrophobicContact CB-CB 4.35Å; V444-F452 HydrophobicContact CG1-CB 3.86Å; V444-F452 HydrophobicContact CG1-CG 4.2Å; V444-F452 PolarHBondContact O-N 3.27Å; V444-Y516 WeakPolarHBondContact CA-O 3.42Å; V444-Y516 HydrophobicContact CG1-CD1 4.24Å; V444-Y516 HydrophobicContact CG2-CD1 4.37Å; V444-F518 HydrophobicContact CG1-CB 4.07Å
445	L	93.1	Very high	90.5	Very high	23 Å²	23	68.9 Å²	68.9	12%	0.12	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.1	178.8	-55.7	179.3	0	0	0	110.6	V443 K450 D515 Y516 I517 F518	V443-L445 HydrophobicContact CG2-CD2 3.8Å; V443-L445 HydrophobicContact CG2-CG 4.3Å; L445-K450 CarbonylContact C-O 3.54Å; L445-K450 WeakPolarHBondContact CA-O 3.48Å; L445-D515 HydrophobicContact CD1-CB 3.73Å; L445-D515 HydrophobicContact CG-CB 4.15Å; L445-Y516 PolarHBondContact N-O 3.43Å; L445-I517 HydrophobicContact CB-CG1 4.37Å; L445-F518 PolarHBondContact O-N 3.45Å
446	G	91.1	Very high	88.8	Confident	6 Å²	6	69.9 Å²	69.9	6%	0.062	34%	0.337	C	S	.	.			trans	-78.5	176.8	164.2	0	0	0	0	0	112.1	D448 K449 K450	G446-D448 PolarHBondContact O-N 2.94Å; G446-D448 VanDerWaalsContact O-N 3.15Å; G446-K449 WeakPolarHBondContact O-CA 3.42Å; G446-K449 PolarHBondContact O-N 2.84Å; G446-K450 PolarHBondContact N-O 3.22Å
447	E	89.1	Confident	87.3	Confident	120 Å²	120	70.7 Å²	70.7	56%	0.561	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.1	174.5	-62.7	-173.3	150.5	0	0	113	K449 S519	E447-K449 PolarHBondContact O-N 3.46Å; E447-S519 WeakPolarHBondContact OE1-CB 3.42Å; E447-S519 PolarHBondContact OE1-OG 3.13Å
448	D	90.1	Very high	86	Confident	100 Å²	100	72.4 Å²	72.4	54%	0.535	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.9	173	71.7	-17.3	0	0	0	113.8	G446 K450	G446-D448 PolarHBondContact O-N 2.94Å; G446-D448 VanDerWaalsContact O-N 3.15Å; D448-K450 PolarHBondContact O-N 2.82Å; D448-K450 PolarHBondContact OD1-N 3.47Å
449	K	90.4	Very high	84.8	Confident	156 Å²	156	74.9 Å²	74.9	68%	0.678	38%	0.375	S	S	*	.	S	Bend	trans	60	20.8	-176	-56.4	-179.5	177.6	-179.4	0	114	G446 E447	G446-K449 WeakPolarHBondContact O-CA 3.42Å; G446-K449 PolarHBondContact O-N 2.84Å; E447-K449 PolarHBondContact O-N 3.46Å
450	K	89.6	Confident	84	Confident	143 Å²	143	76 Å²	76	62%	0.622	38%	0.382	S	S	*	.	S	Bend	trans	-106	166.5	172.6	-61.6	178.7	-176	170.9	0	109.9	L445 G446 D448 F452	L445-K450 CarbonylContact C-O 3.54Å; L445-K450 WeakPolarHBondContact CA-O 3.48Å; G446-K450 PolarHBondContact N-O 3.22Å; D448-K450 PolarHBondContact O-N 2.82Å; D448-K450 PolarHBondContact OD1-N 3.47Å; K450-F452 PolarHBondContact O-N 3.24Å
451	K	86.3	Confident	83.3	Confident	156 Å²	156	80.3 Å²	80.3	68%	0.678	40%	0.398	S	S	*	.	B	Isolated β-bridge	trans	-52	125.9	178.1	-172.7	170.2	-174.5	170.2	0	110.1	K453	K451-K453 PolarHBondContact O-N 2.97Å; K451-K453 VanDerWaalsContact O-N 3.13Å
452	F	85.5	Confident	82.8	Confident	42 Å²	42	80 Å²	80	18%	0.184	40%	0.397	C	S	.	.			trans	-61.7	115.4	-175.5	-167.8	-108.5	0	0	0	111.1	V209 V444 K450 V460 L465 F518	V209-F452 HydrophobicContact CG1-CD1 3.8Å; V209-F452 HydrophobicContact CG1-CE1 4.01Å; V209-F452 HydrophobicContact CG2-CB 4.35Å; V209-F452 HydrophobicContact CG2-CD1 4.07Å; V444-F452 HydrophobicContact CB-CB 4.35Å; V444-F452 HydrophobicContact CG1-CB 3.86Å; V444-F452 HydrophobicContact CG1-CG 4.2Å; V444-F452 PolarHBondContact O-N 3.27Å; K450-F452 PolarHBondContact O-N 3.24Å; F452-V460 HydrophobicContact CD1-CB 4.36Å; F452-V460 HydrophobicContact CD1-CG2 3.86Å; F452-V460 HydrophobicContact CE1-CB 4.05Å; F452-V460 HydrophobicContact CE1-CG1 4.17Å; F452-V460 HydrophobicContact CE1-CG2 3.66Å; F452-V460 HydrophobicContact CZ-CG2 4.47Å; F452-L465 HydrophobicContact CE1-CD1 4.04Å; F452-F518 HydrophobicContact CD2-CB 4.11Å; F452-F518 HydrophobicContact CE2-CB 3.97Å; F452-F518 AromaticContact CE2-CD1 3.75Å; F452-F518 HydrophobicContact CE2-CD1 3.75Å; F452-F518 HydrophobicContact CE2-CG 4.07Å; F452-F518 HydrophobicContact CZ-CB 4.41Å; F452-F518 AromaticContact CZ-CD1 3.65Å; F452-F518 HydrophobicContact CZ-CD1 3.65Å; F452-F518 HydrophobicContact CZ-CE1 4.15Å; F452-F518 HydrophobicContact CZ-CG 4.06Å
453	K	79.5	Confident	82.4	Confident	119 Å²	119	83.6 Å²	83.6	52%	0.517	41%	0.413	S	S	.	.			trans	-143.4	158.8	-175.4	-75.4	-179.8	163.7	-149.1	0	109.9	K451 G457 E458	K451-K453 PolarHBondContact O-N 2.97Å; K451-K453 VanDerWaalsContact O-N 3.13Å; K453-G457 WeakPolarHBondContact CD-O 3.28Å; K453-G457 PolarHBondContact NZ-O 2.96Å; K453-E458 WeakPolarHBondContact CA-O 3.44Å
454	T	70.3	Confident	82.1	Confident	54 Å²	54	85.1 Å²	85.1	33%	0.331	42%	0.418	S	S	.	.			trans	-65.2	166	170.8	65.1	0	0	0	0	110.8	A456 G457 E458 V460	T454-A456 PolarHBondContact O-N 2.81Å; T454-A456 VanDerWaalsContact O-N 3.09Å; T454-G457 PolarHBondContact O-N 3.34Å; T454-E458 PolarHBondContact N-O 3.49Å; T454-E458 PolarHBondContact OG1-N 3.21Å; T454-E458 VanDerWaalsContact OG1-N 3.14Å; T454-E458 PolarHBondContact OG1-O 2.95Å; T454-V460 HydrophobicContact CG2-CB 4.34Å; T454-V460 HydrophobicContact CG2-CG2 3.72Å
455	R	66.1	Low	81.9	Confident	268 Å²	268	85 Å²	85	100%	1.011	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.1	173.8	-68.7	-177	-180	176.5	0.1	113.1
456	A	61.7	Low	81.7	Confident	88 Å²	88	84.2 Å²	84.2	73%	0.727	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.5	175.7	0	0	0	0	0	113.8	T454 E458	T454-A456 PolarHBondContact O-N 2.81Å; T454-A456 VanDerWaalsContact O-N 3.09Å; A456-E458 VanDerWaalsContact C-N 3.32Å
457	G	67.6	Low	81.8	Confident	37 Å²	37	85.8 Å²	85.8	38%	0.381	43%	0.429	S	S	.	.	S	Bend	trans	81.8	5.1	-179.9	0	0	0	0	0	115.2	K453 T454	K453-G457 WeakPolarHBondContact CD-O 3.28Å; K453-G457 PolarHBondContact NZ-O 2.96Å; T454-G457 PolarHBondContact O-N 3.34Å
458	E	71.4	Confident	81.9	Confident	95 Å²	95	83 Å²	83	44%	0.444	42%	0.416	S	S	.	.	S	Bend	trans	-84	166	175.3	-65.8	-165.1	135.5	0	0	111.8	K274 K453 T454 A456	K274-E458 IonicContact NZ-OE1 3.11Å; K274-E458 PolarHBondContact NZ-OE1 3.19Å; K274-E458 IonicContact NZ-OE2 3.58Å; K453-E458 WeakPolarHBondContact CA-O 3.44Å; T454-E458 PolarHBondContact N-O 3.49Å; T454-E458 PolarHBondContact OG1-N 3.21Å; T454-E458 VanDerWaalsContact OG1-N 3.14Å; T454-E458 PolarHBondContact OG1-O 2.95Å; A456-E458 VanDerWaalsContact C-N 3.32Å
459	T	72.6	Confident	82	Confident	67 Å²	67	78.2 Å²	78.2	41%	0.411	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.1	138.7	173.8	-50.8	0	0	0	0	110.2	H208	H208-T459 HydrophobicContact CB-CG2 3.35Å
460	V	81.6	Confident	82.3	Confident	23 Å²	23	72.5 Å²	72.5	14%	0.139	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-80	126.9	177.7	-177.5	0	0	0	0	109.5	F452 T454 L465	F452-V460 HydrophobicContact CD1-CB 4.36Å; F452-V460 HydrophobicContact CD1-CG2 3.86Å; F452-V460 HydrophobicContact CE1-CB 4.05Å; F452-V460 HydrophobicContact CE1-CG1 4.17Å; F452-V460 HydrophobicContact CE1-CG2 3.66Å; F452-V460 HydrophobicContact CZ-CG2 4.47Å; T454-V460 HydrophobicContact CG2-CB 4.34Å; T454-V460 HydrophobicContact CG2-CG2 3.72Å; V460-L465 HydrophobicContact CG1-CB 4.43Å
461	R	84.2	Confident	82.5	Confident	91 Å²	91	71.3 Å²	71.3	34%	0.343	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.1	130.8	171.7	-69.1	177	177.1	-165.2	-8.1	110	E206 D268 M463 D464 L465	E206-R461 WeakPolarHBondContact OE1-CG 3.09Å; E206-R461 IonicContact OE1-CZ 3.88Å; E206-R461 IonicContact OE1-NE 2.65Å; E206-R461 PolarHBondContact OE1-NE 3.05Å; E206-R461 IonicContact OE1-NH2 2.78Å; E206-R461 PolarHBondContact OE1-NH2 3.47Å; D268-R461 IonicContact OD1-NH2 3.24Å; D268-R461 IonicContact OD2-CZ 3.8Å; D268-R461 IonicContact OD2-NH1 3.7Å; D268-R461 IonicContact OD2-NH2 3.14Å; D268-R461 PolarHBondContact OD2-NH2 3.1Å; R461-M463 VanDerWaalsContact C-N 3.33Å; R461-M463 PolarHBondContact O-N 3.06Å; R461-D464 HydrophobicContact CB-CB 4.28Å; R461-D464 WeakPolarHBondContact CB-OD2 3.38Å; R461-D464 PolarHBondContact O-N 3.44Å; R461-L465 PolarHBondContact O-N 3.49Å
462	L	87.8	Confident	82.9	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-36.8	-179.3	-68.2	-175.6	0	0	0	112.9	M207 V209 L212 I322 D464 L465 M466	M207-L462 HydrophobicContact CB-CD1 3.97Å; M207-L462 HydrophobicContact CE-CD1 4.03Å; M207-L462 HydrophobicContact CG-CD1 3.52Å; M207-L462 HydrophobicContact SD-CD1 3.7Å; V209-L462 HydrophobicContact CG1-CD2 3.98Å; L212-L462 HydrophobicContact CB-CD1 3.98Å; L212-L462 HydrophobicContact CB-CD2 3.96Å; L212-L462 HydrophobicContact CD1-CD1 4.49Å; L212-L462 HydrophobicContact CD2-CD2 3.94Å; L212-L462 HydrophobicContact CG-CD2 4.46Å; I322-L462 HydrophobicContact CD1-CB 4.08Å; I322-L462 HydrophobicContact CD1-CD1 4.28Å; L462-D464 VanDerWaalsContact C-N 3.3Å; L462-D464 PolarHBondContact O-N 3.48Å; L462-L465 WeakPolarHBondContact O-CB 3.28Å; L462-L465 PolarHBondContact O-N 2.8Å; L462-M466 VanDerWaalsContact O-CG 3.3Å; L462-M466 WeakPolarHBondContact O-CG 3.32Å; L462-M466 PolarHBondContact O-N 2.83Å
463	M	86.6	Confident	83.3	Confident	81 Å²	81	65.5 Å²	65.5	40%	0.399	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-39.6	176.6	-71.7	-60.5	-66.1	0	0	112.3	K321 I322 R461 M466 G467	K321-M463 HydrophobicContact CB-CE 4.39Å; K321-M463 HydrophobicContact CB-SD 4.23Å; I322-M463 HydrophobicContact CG1-CG 4.28Å; I322-M463 HydrophobicContact CG1-SD 3.83Å; R461-M463 VanDerWaalsContact C-N 3.33Å; R461-M463 PolarHBondContact O-N 3.06Å; M463-M466 PolarHBondContact O-N 3.01Å; M463-G467 PolarHBondContact O-N 3.39Å
464	D	88.1	Confident	84	Confident	104 Å²	104	61.2 Å²	61.2	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-67.1	-39.9	177.2	-62.1	-15.4	0	0	0	111	R461 L462 G467 E468	R461-D464 HydrophobicContact CB-CB 4.28Å; R461-D464 WeakPolarHBondContact CB-OD2 3.38Å; R461-D464 PolarHBondContact O-N 3.44Å; L462-D464 VanDerWaalsContact C-N 3.3Å; L462-D464 PolarHBondContact O-N 3.48Å; D464-G467 PolarHBondContact O-N 3.2Å; D464-E468 WeakPolarHBondContact O-CB 3.35Å; D464-E468 PolarHBondContact O-N 3.05Å
465	L	88.1	Confident	85.1	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-43.7	175.5	-174.4	153.9	0	0	0	111.3	V209 F452 V460 R461 L462 G469 I503 F518 F520	V209-L465 HydrophobicContact CG1-CD1 3.88Å; F452-L465 HydrophobicContact CE1-CD1 4.04Å; V460-L465 HydrophobicContact CG1-CB 4.43Å; R461-L465 PolarHBondContact O-N 3.49Å; L462-L465 WeakPolarHBondContact O-CB 3.28Å; L462-L465 PolarHBondContact O-N 2.8Å; L465-G469 PolarHBondContact O-N 2.65Å; L465-I503 HydrophobicContact CD2-CD1 3.91Å; L465-I503 HydrophobicContact CD2-CG1 4.48Å; L465-F518 HydrophobicContact CD1-CE1 4.31Å; L465-F518 HydrophobicContact CD1-CE2 3.8Å; L465-F518 HydrophobicContact CD1-CZ 3.71Å; L465-F518 HydrophobicContact CD2-CE2 4.02Å; L465-F518 HydrophobicContact CD2-CZ 3.8Å; L465-F518 HydrophobicContact CG-CE2 4.26Å; L465-F518 HydrophobicContact CG-CZ 3.8Å; L465-F520 HydrophobicContact CD2-CZ 4.49Å; L465-F520 HydrophobicContact CG-CZ 4.15Å
466	M	89.1	Confident	86.1	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.034	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-41.5	177.3	-67.2	179.5	76	0	0	111.8	I322 A325 L326 L462 M463 G469 L470 Y500	I322-M466 HydrophobicContact CG2-SD 4.33Å; A325-M466 HydrophobicContact CB-CE 3.3Å; L326-M466 HydrophobicContact CD2-CE 3.88Å; L326-M466 HydrophobicContact CG-CE 3.98Å; L462-M466 VanDerWaalsContact O-CG 3.3Å; L462-M466 WeakPolarHBondContact O-CG 3.32Å; L462-M466 PolarHBondContact O-N 2.83Å; M463-M466 PolarHBondContact O-N 3.01Å; M466-G469 PolarHBondContact O-N 2.62Å; M466-L470 WeakPolarHBondContact O-CG 3.42Å; M466-L470 PolarHBondContact O-N 3.33Å; M466-Y500 HydrophobicContact CB-CE1 4.38Å; M466-Y500 HydrophobicContact CE-CD1 3.81Å; M466-Y500 HydrophobicContact CE-CE1 3.33Å
467	G	92.7	Very high	87.5	Confident	39 Å²	39	48.9 Å²	48.9	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-43.5	175.1	0	0	0	0	0	112.7	M463 D464 L470 K471	M463-G467 PolarHBondContact O-N 3.39Å; D464-G467 PolarHBondContact O-N 3.2Å; G467-L470 PolarHBondContact O-N 3.02Å; G467-K471 WeakPolarHBondContact O-CB 3.14Å; G467-K471 PolarHBondContact O-N 3.45Å
468	E	91.5	Very high	88.6	Confident	61 Å²	61	52.3 Å²	52.3	29%	0.285	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-39.9	174.4	-179.1	63.3	-169.4	0	0	111.7	D464 L470 K471 R472 F520	D464-E468 WeakPolarHBondContact O-CB 3.35Å; D464-E468 PolarHBondContact O-N 3.05Å; E468-L470 PolarHBondContact O-N 3.24Å; E468-K471 PolarHBondContact O-N 2.54Å; E468-R472 WeakPolarHBondContact O-CG 3.47Å; E468-R472 PolarHBondContact O-N 3.31Å; E468-R472 IonicContact OE1-CZ 3.18Å; E468-R472 IonicContact OE1-NE 3.5Å; E468-R472 PolarHBondContact OE1-NE 2.78Å; E468-R472 IonicContact OE1-NH2 3.88Å; E468-R472 PolarHBondContact OE1-NH2 3.37Å; E468-F520 HydrophobicContact CB-CE2 4.28Å; E468-F520 HydrophobicContact CB-CZ 4.1Å; E468-F520 HydrophobicContact CG-CD2 4.32Å; E468-F520 HydrophobicContact CG-CE2 3.72Å; E468-F520 HydrophobicContact CG-CZ 3.94Å
469	G	92.6	Very high	89.5	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-45.8	174.3	0	0	0	0	0	112.8	L465 M466 S473	L465-G469 PolarHBondContact O-N 2.65Å; M466-G469 PolarHBondContact O-N 2.62Å; G469-S473 WeakPolarHBondContact O-CB 3.28Å; G469-S473 PolarHBondContact O-N 2.85Å
470	L	94.9	Very high	90.2	Very high	36 Å²	36	57.5 Å²	57.5	19%	0.188	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-43.9	175.1	-73.4	170.1	0	0	0	111.8	M466 G467 E468 S473 M474 Q495 T496 A499 Y500	M466-L470 WeakPolarHBondContact O-CG 3.42Å; M466-L470 PolarHBondContact O-N 3.33Å; G467-L470 PolarHBondContact O-N 3.02Å; E468-L470 PolarHBondContact O-N 3.24Å; L470-S473 PolarHBondContact O-N 2.9Å; L470-M474 PolarHBondContact O-N 3.33Å; L470-Q495 HydrophobicContact CD2-CG 4.09Å; L470-Q495 PolarHBondContact O-NE2 3.15Å; L470-T496 HydrophobicContact CD2-CG2 4Å; L470-A499 HydrophobicContact CD2-CB 3.79Å; L470-A499 HydrophobicContact CG-CB 4.22Å; L470-Y500 HydrophobicContact CD2-CE1 4.26Å; L470-Y500 HydrophobicContact CG-CE1 4.29Å
471	K	95.6	Very high	90.5	Very high	118 Å²	118	61.5 Å²	61.5	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-60.8	-53	178.5	-178.6	-174.6	171.2	-168.3	0	111.4	G467 E468 S473 M474 D475	G467-K471 WeakPolarHBondContact O-CB 3.14Å; G467-K471 PolarHBondContact O-N 3.45Å; E468-K471 PolarHBondContact O-N 2.54Å; K471-S473 VanDerWaalsContact C-N 3.28Å; K471-S473 PolarHBondContact O-N 3.1Å; K471-M474 WeakPolarHBondContact O-CB 3.24Å; K471-M474 PolarHBondContact O-N 2.95Å; K471-D475 PolarHBondContact O-N 3.33Å
472	R	93.8	Very high	90.5	Very high	76 Å²	76	60.6 Å²	60.6	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-37.4	179.4	-69.8	-175.8	177.6	-135	1.6	112.6	E468 D475 K476 F520 D521 L524	E468-R472 WeakPolarHBondContact O-CG 3.47Å; E468-R472 PolarHBondContact O-N 3.31Å; E468-R472 IonicContact OE1-CZ 3.18Å; E468-R472 IonicContact OE1-NE 3.5Å; E468-R472 PolarHBondContact OE1-NE 2.78Å; E468-R472 IonicContact OE1-NH2 3.88Å; E468-R472 PolarHBondContact OE1-NH2 3.37Å; R472-D475 PolarHBondContact O-N 3.46Å; R472-K476 PolarHBondContact O-N 3.06Å; R472-K476 VanDerWaalsContact O-N 3.15Å; R472-F520 VanDerWaalsContact NH1-CB 3.26Å; R472-D521 IonicContact NH1-OD1 3.62Å; R472-D521 PolarHBondContact NH1-OD1 2.96Å; R472-L524 HydrophobicContact CB-CD1 3.56Å; R472-L524 HydrophobicContact CG-CD1 4.49Å
473	S	93.5	Very high	90.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-42.2	173.8	173.7	0	0	0	0	112.2	G469 L470 K471 L477 Q495 I498	G469-S473 WeakPolarHBondContact O-CB 3.28Å; G469-S473 PolarHBondContact O-N 2.85Å; L470-S473 PolarHBondContact O-N 2.9Å; K471-S473 VanDerWaalsContact C-N 3.28Å; K471-S473 PolarHBondContact O-N 3.1Å; S473-L477 WeakPolarHBondContact O-CG 3.15Å; S473-L477 PolarHBondContact O-N 2.83Å; S473-L477 VanDerWaalsContact O-N 3.11Å; S473-Q495 WeakPolarHBondContact OG-CA 3.3Å; S473-Q495 PolarHBondContact OG-O 3.09Å; S473-I498 VanDerWaalsContact OG-CB 3.32Å; S473-I498 WeakPolarHBondContact OG-CB 3.43Å; S473-I498 WeakPolarHBondContact OG-CG2 3.33Å
474	M	93.7	Very high	89.9	Confident	29 Å²	29	66.2 Å²	66.2	14%	0.143	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-42.1	177.2	178.9	60.6	64	0	0	111.7	L470 K471 K476 L477 K478 L491 Q495	L470-M474 PolarHBondContact O-N 3.33Å; K471-M474 WeakPolarHBondContact O-CB 3.24Å; K471-M474 PolarHBondContact O-N 2.95Å; M474-K476 VanDerWaalsContact C-N 3.29Å; M474-K476 PolarHBondContact O-N 3.29Å; M474-L477 PolarHBondContact O-N 3Å; M474-L477 VanDerWaalsContact O-N 3.17Å; M474-K478 HydrophobicContact CG-CD 4.21Å; M474-K478 WeakPolarHBondContact O-CG 3.37Å; M474-K478 PolarHBondContact O-N 3.08Å; M474-K478 HydrophobicContact SD-CD 4.34Å; M474-K478 HydrophobicContact SD-CG 4.2Å; M474-L491 HydrophobicContact CE-CD1 4.48Å; M474-L491 HydrophobicContact CE-CD2 4.07Å; M474-L491 HydrophobicContact CE-CG 3.98Å; M474-L491 HydrophobicContact SD-CD1 4.33Å; M474-L491 HydrophobicContact SD-CD2 4.13Å; M474-L491 HydrophobicContact SD-CG 4.31Å; M474-Q495 HydrophobicContact CB-CG 4.28Å; M474-Q495 HydrophobicContact CE-CB 4.12Å; M474-Q495 VanDerWaalsContact CE-CD 3.42Å; M474-Q495 HydrophobicContact CE-CG 4.06Å
475	D	93.3	Very high	89.7	Confident	84 Å²	84	66.2 Å²	66.2	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-43.5	178.7	-66.6	-22.3	0	0	0	110.8	K471 R472 K478 E479	K471-D475 PolarHBondContact O-N 3.33Å; R472-D475 PolarHBondContact O-N 3.46Å; D475-K478 PolarHBondContact O-N 2.93Å; D475-E479 PolarHBondContact O-N 3.38Å
476	K	88.9	Confident	89.7	Confident	58 Å²	58	66.8 Å²	66.8	25%	0.252	32%	0.322	S	S	.	.	H	α-helix	trans	-64.3	-40.3	174.1	-77.8	-166.3	160.9	-149.6	0	114.1	R472 M474 K478 E479 K480 L524 D526	R472-K476 PolarHBondContact O-N 3.06Å; R472-K476 VanDerWaalsContact O-N 3.15Å; M474-K476 VanDerWaalsContact C-N 3.29Å; M474-K476 PolarHBondContact O-N 3.29Å; K476-K478 VanDerWaalsContact C-N 3.31Å; K476-E479 PolarHBondContact O-N 2.95Å; K476-K480 PolarHBondContact O-N 2.87Å; K476-L524 HydrophobicContact CD-CB 4.31Å; K476-L524 PolarHBondContact NZ-O 2.79Å; K476-D526 IonicContact NZ-OD1 3.68Å; K476-D526 PolarHBondContact NZ-OD1 2.93Å
477	L	90.3	Very high	89.8	Confident	8 Å²	8	70.1 Å²	70.1	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-39.4	177.1	-76.3	169.5	0	0	0	111.3	S473 M474 K480 E481 R482 L491 A494 Q495 I498	S473-L477 WeakPolarHBondContact O-CG 3.15Å; S473-L477 PolarHBondContact O-N 2.83Å; S473-L477 VanDerWaalsContact O-N 3.11Å; M474-L477 PolarHBondContact O-N 3Å; M474-L477 VanDerWaalsContact O-N 3.17Å; L477-K480 CarbonylContact O-C 3.58Å; L477-K480 PolarHBondContact O-N 3.03Å; L477-E481 PolarHBondContact O-N 3.19Å; L477-R482 HydrophobicContact CB-CB 4.45Å; L477-R482 HydrophobicContact CD2-CB 4.14Å; L477-R482 HydrophobicContact CD2-CG 4.16Å; L477-R482 WeakPolarHBondContact O-CB 3.45Å; L477-R482 PolarHBondContact O-N 2.98Å; L477-L491 HydrophobicContact CB-CD1 4.32Å; L477-L491 HydrophobicContact CD1-CD1 4.19Å; L477-A494 HydrophobicContact CD1-CB 3.99Å; L477-A494 HydrophobicContact CD2-CB 4.3Å; L477-Q495 HydrophobicContact CD1-CB 4.08Å; L477-I498 HydrophobicContact CD1-CD1 3.92Å; L477-I498 HydrophobicContact CD2-CD1 3.78Å; L477-I498 HydrophobicContact CG-CD1 3.88Å
478	K	91.3	Very high	89.6	Confident	109 Å²	109	72.3 Å²	72.3	47%	0.474	36%	0.357	S	S	.	.	H	α-helix	trans	-70.1	-38.2	175.5	-72.1	178.8	175.9	177.8	0	113	M474 D475 K476 K480 E481 D483	M474-K478 HydrophobicContact CG-CD 4.21Å; M474-K478 WeakPolarHBondContact O-CG 3.37Å; M474-K478 PolarHBondContact O-N 3.08Å; M474-K478 HydrophobicContact SD-CD 4.34Å; M474-K478 HydrophobicContact SD-CG 4.2Å; D475-K478 PolarHBondContact O-N 2.93Å; K476-K478 VanDerWaalsContact C-N 3.31Å; K478-K480 PolarHBondContact O-N 3.01Å; K478-E481 WeakPolarHBondContact O-CA 3.46Å; K478-E481 PolarHBondContact O-N 3.01Å; K478-D483 HydrophobicContact CG-CB 4.18Å
479	E	89.2	Confident	89.5	Confident	161 Å²	161	77.3 Å²	77.3	75%	0.752	38%	0.38	S	S	*	.	H	α-helix	trans	-58.2	-34.9	174.7	-172.5	-177.2	175.3	0	0	111.6	D475 K476 E481	D475-E479 PolarHBondContact O-N 3.38Å; K476-E479 PolarHBondContact O-N 2.95Å; E479-E481 VanDerWaalsContact C-N 3.29Å; E479-E481 PolarHBondContact O-N 2.95Å
480	K	86.8	Confident	89.4	Confident	110 Å²	110	79.3 Å²	79.3	48%	0.478	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	12.7	174.3	-66.8	-170.4	179.6	179.6	0	114.4	K476 L477 K478 R482 D526	K476-K480 PolarHBondContact O-N 2.87Å; L477-K480 CarbonylContact O-C 3.58Å; L477-K480 PolarHBondContact O-N 3.03Å; K478-K480 PolarHBondContact O-N 3.01Å; K480-R482 HydrophobicContact CB-CG 3.92Å; K480-R482 PolarHBondContact O-N 2.84Å; K480-R482 VanDerWaalsContact O-N 3.08Å; K480-D526 WeakPolarHBondContact CE-OD2 3.48Å; K480-D526 IonicContact NZ-OD2 3.97Å; K480-D526 PolarHBondContact NZ-OD2 3.08Å
481	E	87.8	Confident	89.2	Confident	108 Å²	108	79 Å²	79	51%	0.505	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	26.8	178.9	-51.2	-164.8	127.8	0	0	114.3	L477 K478 E479 D483 K484	L477-E481 PolarHBondContact O-N 3.19Å; K478-E481 WeakPolarHBondContact O-CA 3.46Å; K478-E481 PolarHBondContact O-N 3.01Å; E479-E481 VanDerWaalsContact C-N 3.29Å; E479-E481 PolarHBondContact O-N 2.95Å; E481-D483 VanDerWaalsContact C-N 3.27Å; E481-D483 WeakPolarHBondContact CA-OD1 3.17Å; E481-D483 PolarHBondContact O-N 3.14Å; E481-K484 HydrophobicContact CB-CD 4.14Å; E481-K484 HydrophobicContact CB-CG 4.49Å; E481-K484 WeakPolarHBondContact O-CB 3.31Å; E481-K484 PolarHBondContact O-N 3.13Å; E481-K484 IonicContact OE1-NZ 2.62Å; E481-K484 PolarHBondContact OE1-NZ 2.97Å
482	R	85.3	Confident	89	Confident	71 Å²	71	77.7 Å²	77.7	27%	0.268	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-71.6	-26.4	-177.9	-58.5	-54.2	-59.6	-177.5	-2.2	112.1	L477 K480 K484 V485 L486 M660	L477-R482 HydrophobicContact CB-CB 4.45Å; L477-R482 HydrophobicContact CD2-CB 4.14Å; L477-R482 HydrophobicContact CD2-CG 4.16Å; L477-R482 WeakPolarHBondContact O-CB 3.45Å; L477-R482 PolarHBondContact O-N 2.98Å; K480-R482 HydrophobicContact CB-CG 3.92Å; K480-R482 PolarHBondContact O-N 2.84Å; K480-R482 VanDerWaalsContact O-N 3.08Å; R482-K484 PolarHBondContact O-N 3.05Å; R482-V485 PolarHBondContact O-N 3.33Å; R482-V485 VanDerWaalsContact O-N 3.15Å; R482-L486 HydrophobicContact CB-CD1 4.11Å; R482-L486 WeakPolarHBondContact O-CB 3.26Å; R482-L486 WeakPolarHBondContact O-CG 2.96Å; R482-L486 PolarHBondContact O-N 3.21Å; R482-M660 VanDerWaalsContact CZ-C 3.42Å; R482-M660 VanDerWaalsContact NE-C 3.34Å; R482-M660 PolarHBondContact NE-O 2.89Å; R482-M660 PolarHBondContact NE-OXT 3.1Å; R482-M660 PolarHBondContact NH2-O 3.1Å; R482-M660 PolarHBondContact NH2-OXT 3.07Å
483	D	81.4	Confident	89	Confident	63 Å²	63	76.1 Å²	76.1	34%	0.337	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.9	172.1	65.2	-45.8	0	0	0	113.5	K478 E481 L491	K478-D483 HydrophobicContact CG-CB 4.18Å; E481-D483 VanDerWaalsContact C-N 3.27Å; E481-D483 WeakPolarHBondContact CA-OD1 3.17Å; E481-D483 PolarHBondContact O-N 3.14Å; D483-L491 HydrophobicContact CB-CD1 4.38Å; D483-L491 HydrophobicContact CB-CD2 4.17Å
484	K	81	Confident	88.9	Confident	141 Å²	141	76.1 Å²	76.1	61%	0.613	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-84.8	-19.4	176.6	-56.9	-176.5	-172.5	171	0	113.5	E481 R482	E481-K484 HydrophobicContact CB-CD 4.14Å; E481-K484 HydrophobicContact CB-CG 4.49Å; E481-K484 WeakPolarHBondContact O-CB 3.31Å; E481-K484 PolarHBondContact O-N 3.13Å; E481-K484 IonicContact OE1-NZ 2.62Å; E481-K484 PolarHBondContact OE1-NZ 2.97Å; R482-K484 PolarHBondContact O-N 3.05Å
485	V	83.6	Confident	89	Confident	104 Å²	104	76.4 Å²	76.4	63%	0.63	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-34.1	-171.6	-175	0	0	0	0	111.8	R482	R482-V485 PolarHBondContact O-N 3.33Å; R482-V485 VanDerWaalsContact O-N 3.15Å
486	L	87.1	Confident	89.1	Confident	19 Å²	19	74.2 Å²	74.2	10%	0.099	38%	0.38	C	S	.	.	S	Bend	trans	-87.6	148.6	-178.3	-62.4	179.9	0	0	0	111.6	R482 E490 L491 A494 R659	R482-L486 HydrophobicContact CB-CD1 4.11Å; R482-L486 WeakPolarHBondContact O-CB 3.26Å; R482-L486 WeakPolarHBondContact O-CG 2.96Å; R482-L486 PolarHBondContact O-N 3.21Å; L486-E490 HydrophobicContact CB-CB 3.98Å; L486-E490 HydrophobicContact CD2-CB 4.12Å; L486-E490 HydrophobicContact CG-CB 4.43Å; L486-L491 HydrophobicContact CB-CB 4.42Å; L486-L491 HydrophobicContact CD1-CD1 4.49Å; L486-A494 HydrophobicContact CD1-CB 4.44Å; L486-R659 HydrophobicContact CD2-CB 4.28Å
487	T	90.6	Very high	89.4	Confident	77 Å²	77	71.7 Å²	71.7	47%	0.472	37%	0.37	S	S	.	.			trans	-67.6	163.8	166.2	59.8	0	0	0	0	111.1	E489 E490 L491	T487-E489 PolarHBondContact O-N 2.95Å; T487-E490 PolarHBondContact N-OE2 3.17Å; T487-E490 PolarHBondContact O-N 2.8Å; T487-E490 WeakPolarHBondContact OG1-CB 3.46Å; T487-E490 VanDerWaalsContact OG1-CG 3.27Å; T487-E490 WeakPolarHBondContact OG1-CG 3.42Å; T487-E490 PolarHBondContact OG1-N 2.78Å; T487-E490 PolarHBondContact OG1-OE2 3.04Å; T487-L491 WeakPolarHBondContact O-CB 3.15Å; T487-L491 PolarHBondContact O-N 2.9Å
488	A	89.5	Confident	89.6	Confident	84 Å²	84	71.8 Å²	71.8	69%	0.694	37%	0.37	S	S	*	.	H	α-helix	trans	-58.7	-36	177.8	0	0	0	0	0	112.8	N492	A488-N492 WeakPolarHBondContact O-CB 3.48Å; A488-N492 PolarHBondContact O-N 3.19Å; A488-N492 VanDerWaalsContact O-N 3.08Å
489	E	89.7	Confident	89.8	Confident	167 Å²	167	66.6 Å²	66.6	78%	0.78	35%	0.348	S	S	*	.	H	α-helix	trans	-69	-47	176.8	-66.3	-180	-179.3	0	0	111.7	T487 L491 N492 A493	T487-E489 PolarHBondContact O-N 2.95Å; E489-L491 VanDerWaalsContact C-N 3.31Å; E489-L491 PolarHBondContact O-N 2.89Å; E489-N492 PolarHBondContact O-N 3.45Å; E489-A493 WeakPolarHBondContact O-CB 3.46Å; E489-A493 PolarHBondContact O-N 3.4Å
490	E	89.7	Confident	90.1	Very high	42 Å²	42	61 Å²	61	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-38.3	176.3	-73.2	167.9	142.5	0	0	111.6	L486 T487 A493 A494 R659	L486-E490 HydrophobicContact CB-CB 3.98Å; L486-E490 HydrophobicContact CD2-CB 4.12Å; L486-E490 HydrophobicContact CG-CB 4.43Å; T487-E490 PolarHBondContact N-OE2 3.17Å; T487-E490 PolarHBondContact O-N 2.8Å; T487-E490 WeakPolarHBondContact OG1-CB 3.46Å; T487-E490 VanDerWaalsContact OG1-CG 3.27Å; T487-E490 WeakPolarHBondContact OG1-CG 3.42Å; T487-E490 PolarHBondContact OG1-N 2.78Å; T487-E490 PolarHBondContact OG1-OE2 3.04Å; E490-A493 PolarHBondContact O-N 2.81Å; E490-A494 WeakPolarHBondContact O-CB 3.48Å; E490-A494 PolarHBondContact O-N 2.66Å; E490-R659 WeakPolarHBondContact OE1-CD 3.38Å; E490-R659 IonicContact OE1-CZ 2.62Å; E490-R659 IonicContact OE1-NE 2.68Å; E490-R659 IonicContact OE1-NH1 2.8Å; E490-R659 PolarHBondContact OE1-NH1 2.95Å; E490-R659 VanDerWaalsContact OE1-NH1 3.08Å
491	L	91	Very high	90.6	Very high	29 Å²	29	55.9 Å²	55.9	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-65.6	-43.2	178.1	-174.5	67.1	0	0	0	111.5	M474 L477 D483 L486 T487 E489 A494 Q495	M474-L491 HydrophobicContact CE-CD1 4.48Å; M474-L491 HydrophobicContact CE-CD2 4.07Å; M474-L491 HydrophobicContact CE-CG 3.98Å; M474-L491 HydrophobicContact SD-CD1 4.33Å; M474-L491 HydrophobicContact SD-CD2 4.13Å; M474-L491 HydrophobicContact SD-CG 4.31Å; L477-L491 HydrophobicContact CB-CD1 4.32Å; L477-L491 HydrophobicContact CD1-CD1 4.19Å; D483-L491 HydrophobicContact CB-CD1 4.38Å; D483-L491 HydrophobicContact CB-CD2 4.17Å; L486-L491 HydrophobicContact CB-CB 4.42Å; L486-L491 HydrophobicContact CD1-CD1 4.49Å; T487-L491 WeakPolarHBondContact O-CB 3.15Å; T487-L491 PolarHBondContact O-N 2.9Å; E489-L491 VanDerWaalsContact C-N 3.31Å; E489-L491 PolarHBondContact O-N 2.89Å; L491-A494 PolarHBondContact O-N 2.59Å; L491-Q495 WeakPolarHBondContact O-CB 3.44Å; L491-Q495 PolarHBondContact O-N 2.86Å
492	N	91.7	Very high	91	Very high	91 Å²	91	50.8 Å²	50.8	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-66	-43.6	175.8	-170.5	-23.5	0	0	0	111.2	A488 E489 A494 Q495 T496	A488-N492 WeakPolarHBondContact O-CB 3.48Å; A488-N492 PolarHBondContact O-N 3.19Å; A488-N492 VanDerWaalsContact O-N 3.08Å; E489-N492 PolarHBondContact O-N 3.45Å; N492-A494 VanDerWaalsContact C-N 3.34Å; N492-A494 PolarHBondContact O-N 2.84Å; N492-Q495 PolarHBondContact O-N 3.42Å; N492-T496 WeakPolarHBondContact O-CB 2.85Å; N492-T496 WeakPolarHBondContact O-CG2 3.4Å; N492-T496 PolarHBondContact O-N 3.36Å; N492-T496 PolarHBondContact O-OG1 3.25Å; N492-T496 WeakPolarHBondContact OD1-CG2 3.44Å
493	A	92.7	Very high	91.5	Very high	43 Å²	43	47.6 Å²	47.6	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-43.3	175.2	0	0	0	0	0	111.9	E489 E490 T496 S497 V657	E489-A493 WeakPolarHBondContact O-CB 3.46Å; E489-A493 PolarHBondContact O-N 3.4Å; E490-A493 PolarHBondContact O-N 2.81Å; A493-T496 PolarHBondContact O-OG1 3.12Å; A493-S497 WeakPolarHBondContact O-CB 3.45Å; A493-S497 PolarHBondContact O-N 3.4Å; A493-V657 HydrophobicContact CB-CG1 4.35Å
494	A	92.9	Very high	92.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-47.5	175.3	0	0	0	0	0	111.7	L477 L486 E490 L491 N492 S497 I498	L477-A494 HydrophobicContact CD1-CB 3.99Å; L477-A494 HydrophobicContact CD2-CB 4.3Å; L486-A494 HydrophobicContact CD1-CB 4.44Å; E490-A494 WeakPolarHBondContact O-CB 3.48Å; E490-A494 PolarHBondContact O-N 2.66Å; L491-A494 PolarHBondContact O-N 2.59Å; N492-A494 VanDerWaalsContact C-N 3.34Å; N492-A494 PolarHBondContact O-N 2.84Å; A494-S497 PolarHBondContact O-N 3.41Å; A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 VanDerWaalsContact O-CD1 3.32Å; A494-I498 WeakPolarHBondContact O-CD1 3.47Å; A494-I498 WeakPolarHBondContact O-CG1 3.22Å; A494-I498 PolarHBondContact O-N 3.03Å
495	Q	94.9	Very high	93	Very high	36 Å²	36	38.4 Å²	38.4	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-50.7	-179.8	-176.6	-168.8	13.1	0	0	111.9	L470 S473 M474 L477 L491 N492 I498 A499	L470-Q495 HydrophobicContact CD2-CG 4.09Å; L470-Q495 PolarHBondContact O-NE2 3.15Å; S473-Q495 WeakPolarHBondContact OG-CA 3.3Å; S473-Q495 PolarHBondContact OG-O 3.09Å; M474-Q495 HydrophobicContact CB-CG 4.28Å; M474-Q495 HydrophobicContact CE-CB 4.12Å; M474-Q495 VanDerWaalsContact CE-CD 3.42Å; M474-Q495 HydrophobicContact CE-CG 4.06Å; L477-Q495 HydrophobicContact CD1-CB 4.08Å; L491-Q495 WeakPolarHBondContact O-CB 3.44Å; L491-Q495 PolarHBondContact O-N 2.86Å; N492-Q495 PolarHBondContact O-N 3.42Å; Q495-I498 PolarHBondContact O-N 3.31Å; Q495-A499 VanDerWaalsContact O-CB 3.26Å; Q495-A499 WeakPolarHBondContact O-CB 3.24Å; Q495-A499 PolarHBondContact O-N 3.09Å
496	T	94.9	Very high	93.6	Very high	38 Å²	38	34 Å²	34	23%	0.233	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-42.6	-178.6	51.5	0	0	0	0	111.5	L470 N492 A493 A499 Y500	L470-T496 HydrophobicContact CD2-CG2 4Å; N492-T496 WeakPolarHBondContact O-CB 2.85Å; N492-T496 WeakPolarHBondContact O-CG2 3.4Å; N492-T496 PolarHBondContact O-N 3.36Å; N492-T496 PolarHBondContact O-OG1 3.25Å; N492-T496 WeakPolarHBondContact OD1-CG2 3.44Å; A493-T496 PolarHBondContact O-OG1 3.12Å; T496-A499 PolarHBondContact O-N 3.04Å; T496-Y500 HydrophobicContact CG2-CE2 4.28Å; T496-Y500 WeakPolarHBondContact O-CB 3.44Å; T496-Y500 VanDerWaalsContact O-CD2 3.27Å; T496-Y500 WeakPolarHBondContact O-CD2 3.47Å; T496-Y500 PolarHBondContact O-N 3.37Å
497	S	95.6	Very high	94	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-46.6	175.9	176.3	0	0	0	0	112.4	A493 A494 G501 L535 K655	A493-S497 WeakPolarHBondContact O-CB 3.45Å; A493-S497 PolarHBondContact O-N 3.4Å; A494-S497 PolarHBondContact O-N 3.41Å; S497-G501 WeakPolarHBondContact O-CA 3.32Å; S497-G501 PolarHBondContact O-N 3.05Å; S497-L535 WeakPolarHBondContact OG-CD1 3.37Å; S497-K655 WeakPolarHBondContact CB-O 3.42Å; S497-K655 PolarHBondContact OG-O 2.86Å
498	I	94.9	Very high	94.4	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.046	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-50.8	177.8	-66.2	162	0	0	0	110.8	S473 L477 A494 Q495 C502 L524 L535 M660	S473-I498 VanDerWaalsContact OG-CB 3.32Å; S473-I498 WeakPolarHBondContact OG-CB 3.43Å; S473-I498 WeakPolarHBondContact OG-CG2 3.33Å; L477-I498 HydrophobicContact CD1-CD1 3.92Å; L477-I498 HydrophobicContact CD2-CD1 3.78Å; L477-I498 HydrophobicContact CG-CD1 3.88Å; A494-I498 WeakPolarHBondContact O-CB 3.4Å; A494-I498 VanDerWaalsContact O-CD1 3.32Å; A494-I498 WeakPolarHBondContact O-CD1 3.47Å; A494-I498 WeakPolarHBondContact O-CG1 3.22Å; A494-I498 PolarHBondContact O-N 3.03Å; Q495-I498 PolarHBondContact O-N 3.31Å; I498-C502 VanDerWaalsContact O-CB 3.24Å; I498-C502 WeakPolarHBondContact O-CB 3.39Å; I498-C502 PolarHBondContact O-N 3.5Å; I498-C502 PolarHBondContact O-SG 2.93Å; I498-L524 HydrophobicContact CG2-CD2 3.89Å; I498-L535 HydrophobicContact CG1-CD1 4.35Å; I498-M660 HydrophobicContact CD1-CE 3.11Å; I498-M660 HydrophobicContact CG1-CE 3.11Å
499	A	95.1	Very high	94.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-60.1	-55.2	-174	0	0	0	0	0	111.1	L470 Q495 T496 I503	L470-A499 HydrophobicContact CD2-CB 3.79Å; L470-A499 HydrophobicContact CG-CB 4.22Å; Q495-A499 VanDerWaalsContact O-CB 3.26Å; Q495-A499 WeakPolarHBondContact O-CB 3.24Å; Q495-A499 PolarHBondContact O-N 3.09Å; T496-A499 PolarHBondContact O-N 3.04Å; A499-I503 WeakPolarHBondContact O-CD1 3.3Å; A499-I503 VanDerWaalsContact O-CG1 3.3Å; A499-I503 WeakPolarHBondContact O-CG1 3.32Å; A499-I503 PolarHBondContact O-N 3.47Å
500	Y	95.9	Very high	95	Very high	43 Å²	43	23.5 Å²	23.5	17%	0.169	13%	0.127	C	C	.	.	H	α-helix	trans	-73.8	-36.5	-178.6	-53.2	-33.5	0	0	0	111.6	A325 M466 L470 T496 C502 I503 K504	A325-Y500 HydrophobicContact CB-CE2 4.32Å; A325-Y500 WeakPolarHBondContact O-CD2 3.33Å; A325-Y500 WeakPolarHBondContact O-CE2 3.26Å; M466-Y500 HydrophobicContact CB-CE1 4.38Å; M466-Y500 HydrophobicContact CE-CD1 3.81Å; M466-Y500 HydrophobicContact CE-CE1 3.33Å; L470-Y500 HydrophobicContact CD2-CE1 4.26Å; L470-Y500 HydrophobicContact CG-CE1 4.29Å; T496-Y500 HydrophobicContact CG2-CE2 4.28Å; T496-Y500 WeakPolarHBondContact O-CB 3.44Å; T496-Y500 VanDerWaalsContact O-CD2 3.27Å; T496-Y500 WeakPolarHBondContact O-CD2 3.47Å; T496-Y500 PolarHBondContact O-N 3.37Å; Y500-C502 PolarHBondContact O-N 2.95Å; Y500-I503 PolarHBondContact O-N 2.83Å; Y500-K504 WeakPolarHBondContact O-CB 3.39Å; Y500-K504 VanDerWaalsContact O-CG 3.28Å; Y500-K504 WeakPolarHBondContact O-CG 3.46Å; Y500-K504 PolarHBondContact O-N 2.61Å
501	G	96.8	Very high	95.4	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-44	175.5	0	0	0	0	0	112.4	S497 Y505 A531	S497-G501 WeakPolarHBondContact O-CA 3.32Å; S497-G501 PolarHBondContact O-N 3.05Å; G501-Y505 WeakPolarHBondContact O-CB 3.29Å; G501-Y505 PolarHBondContact O-N 3.2Å; G501-A531 VanDerWaalsContact C-CB 3.45Å; G501-A531 WeakPolarHBondContact O-CB 3.42Å
502	C	96.3	Very high	95.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-70.1	-39.6	178.6	-65.6	0	0	0	0	112.4	I498 Y500 A506 M523 L524 A532	I498-C502 VanDerWaalsContact O-CB 3.24Å; I498-C502 WeakPolarHBondContact O-CB 3.39Å; I498-C502 PolarHBondContact O-N 3.5Å; I498-C502 PolarHBondContact O-SG 2.93Å; Y500-C502 PolarHBondContact O-N 2.95Å; C502-A506 WeakPolarHBondContact O-CB 3.44Å; C502-A506 PolarHBondContact O-N 2.75Å; C502-M523 HydrophobicContact CB-CB 4.49Å; C502-M523 HydrophobicContact CB-CG 4.32Å; C502-M523 PolarHBondContact SG-O 3.38Å; C502-L524 HydrophobicContact CB-CD2 3.85Å; C502-A532 PolarHBondContact SG-N 3.49Å
503	I	95.1	Very high	96	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-47.3	175.3	-69.3	166.5	0	0	0	110.5	L212 I216 L465 A499 Y500 M523	L212-I503 HydrophobicContact CD2-CG2 4.25Å; I216-I503 HydrophobicContact CD1-CG2 4.16Å; L465-I503 HydrophobicContact CD2-CD1 3.91Å; L465-I503 HydrophobicContact CD2-CG1 4.48Å; A499-I503 WeakPolarHBondContact O-CD1 3.3Å; A499-I503 VanDerWaalsContact O-CG1 3.3Å; A499-I503 WeakPolarHBondContact O-CG1 3.32Å; A499-I503 PolarHBondContact O-N 3.47Å; Y500-I503 PolarHBondContact O-N 2.83Å; I503-M523 HydrophobicContact CG1-SD 4.14Å
504	K	97.7	Very high	96.1	Very high	10 Å²	10	25 Å²	25	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-51.7	178.6	-67.9	-179.8	-177	-170	0	111.9	I216 L326 Y500 A506 D507 L508 G653	I216-K504 HydrophobicContact CD1-CG 4.14Å; I216-K504 HydrophobicContact CG1-CG 4.1Å; I216-K504 HydrophobicContact CG2-CB 3.92Å; I216-K504 HydrophobicContact CG2-CG 3.89Å; L326-K504 WeakPolarHBondContact O-CE 3.47Å; L326-K504 PolarHBondContact O-NZ 3.14Å; Y500-K504 WeakPolarHBondContact O-CB 3.39Å; Y500-K504 VanDerWaalsContact O-CG 3.28Å; Y500-K504 WeakPolarHBondContact O-CG 3.46Å; Y500-K504 PolarHBondContact O-N 2.61Å; K504-A506 PolarHBondContact O-N 3.38Å; K504-D507 PolarHBondContact O-N 3.07Å; K504-L508 WeakPolarHBondContact O-CG 3.41Å; K504-L508 PolarHBondContact O-N 3.25Å; K504-G653 VanDerWaalsContact CD-O 3.29Å; K504-G653 WeakPolarHBondContact CD-O 3.36Å; K504-G653 WeakPolarHBondContact CE-O 3.38Å; K504-G653 PolarHBondContact NZ-O 2.65Å
505	Y	98.2	Very high	96.3	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-39.9	-174.4	-168.4	-91.7	0	0	0	112.7	G501 D507 L508 S509 N529 A531 L534 C598 L652 I654	G501-Y505 WeakPolarHBondContact O-CB 3.29Å; G501-Y505 PolarHBondContact O-N 3.2Å; Y505-D507 PolarHBondContact O-N 2.65Å; Y505-L508 PolarHBondContact O-N 3.02Å; Y505-S509 WeakPolarHBondContact O-CB 3.22Å; Y505-S509 PolarHBondContact O-N 3.21Å; Y505-S509 PolarHBondContact O-OG 3.21Å; Y505-N529 WeakPolarHBondContact CE1-O 3.3Å; Y505-N529 VanDerWaalsContact CE1-OD1 3.3Å; Y505-N529 WeakPolarHBondContact CE1-OD1 3.42Å; Y505-N529 PolarHBondContact OH-OD1 3.13Å; Y505-A531 HydrophobicContact CG-CB 4.04Å; Y505-L534 HydrophobicContact CD2-CD1 4.24Å; Y505-L534 HydrophobicContact CE1-CD1 4.09Å; Y505-L534 HydrophobicContact CE2-CD1 3.44Å; Y505-L534 VanDerWaalsContact CE2-CD1 3.44Å; Y505-L534 VanDerWaalsContact OH-CD1 3.32Å; Y505-L534 WeakPolarHBondContact OH-CD1 3.41Å; Y505-C598 HydrophobicContact CE1-CB 4.47Å; Y505-C598 HydrophobicContact CE2-CB 3.74Å; Y505-C598 WeakPolarHBondContact OH-CB 3.44Å; Y505-C598 PolarHBondContact OH-O 3.34Å; Y505-L652 HydrophobicContact CD2-CD1 4.15Å; Y505-L652 HydrophobicContact CE2-CD1 4.13Å; Y505-I654 HydrophobicContact CD2-CD1 3.71Å; Y505-I654 HydrophobicContact CG-CD1 4.26Å
506	A	95.3	Very high	96.2	Very high	11 Å²	11	28 Å²	28	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-65.7	-29.1	179.8	0	0	0	0	0	112.6	C502 K504 H510 Y516 M523	C502-A506 WeakPolarHBondContact O-CB 3.44Å; C502-A506 PolarHBondContact O-N 2.75Å; K504-A506 PolarHBondContact O-N 3.38Å; A506-H510 PolarHBondContact O-CE1 2.71Å; A506-H510 PolarHBondContact O-ND1 3.06Å; A506-Y516 HydrophobicContact CB-CE2 4.33Å; A506-Y516 WeakPolarHBondContact CB-OH 3.48Å; A506-Y516 VanDerWaalsContact O-CE2 3.3Å; A506-Y516 WeakPolarHBondContact O-CE2 3.05Å; A506-M523 HydrophobicContact CB-CB 3.53Å
507	D	95.7	Very high	96.2	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-72.9	-55	170	-168.5	-10.2	0	0	0	110.4	R213 K504 Y505 S509 H510 Y516	R213-D507 WeakPolarHBondContact CA-OD2 3.34Å; R213-D507 WeakPolarHBondContact CB-OD2 3.5Å; R213-D507 VanDerWaalsContact CG-OD2 3.22Å; R213-D507 WeakPolarHBondContact CG-OD2 3.34Å; R213-D507 IonicContact CZ-OD1 3.92Å; R213-D507 IonicContact NE-OD1 2.72Å; R213-D507 PolarHBondContact NE-OD1 2.53Å; R213-D507 IonicContact NE-OD2 3.65Å; R213-D507 PolarHBondContact NE-OD2 3.32Å; R213-D507 IonicContact NH2-OD1 2.87Å; R213-D507 PolarHBondContact NH2-OD1 3.45Å; K504-D507 PolarHBondContact O-N 3.07Å; Y505-D507 PolarHBondContact O-N 2.65Å; D507-S509 VanDerWaalsContact C-N 3.31Å; D507-S509 PolarHBondContact O-N 2.85Å; D507-H510 PolarHBondContact O-N 3.23Å; D507-Y516 HydrophobicContact CB-CE1 4.32Å
508	L	98.1	Very high	96.1	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-30.1	-173.3	-65.9	178.8	0	0	0	114	I216 I217 K504 Y505 H510 L594 H595 L652	I216-L508 HydrophobicContact CG2-CD1 4Å; I216-L508 HydrophobicContact CG2-CD2 4.12Å; I216-L508 HydrophobicContact CG2-CG 3.91Å; I217-L508 HydrophobicContact CG1-CD2 3.85Å; K504-L508 WeakPolarHBondContact O-CG 3.41Å; K504-L508 PolarHBondContact O-N 3.25Å; Y505-L508 PolarHBondContact O-N 3.02Å; L508-H510 PolarHBondContact O-N 3.19Å; L508-L594 HydrophobicContact CD2-CB 4.26Å; L508-L594 HydrophobicContact CD2-CD1 3.65Å; L508-H595 WeakPolarHBondContact O-CA 3.42Å; L508-H595 VanDerWaalsContact O-CB 3.25Å; L508-H595 WeakPolarHBondContact O-CB 3.49Å; L508-H595 PolarHBondContact O-N 3.22Å; L508-L652 HydrophobicContact CB-CD2 4.41Å; L508-L652 HydrophobicContact CD1-CB 4.26Å; L508-L652 HydrophobicContact CD1-CD2 3.71Å
509	S	97.4	Very high	95.9	Very high	17 Å²	17	29.7 Å²	29.7	12%	0.119	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-12.8	-179.4	68.9	0	0	0	0	113.7	Y505 D507	Y505-S509 WeakPolarHBondContact O-CB 3.22Å; Y505-S509 PolarHBondContact O-N 3.21Å; Y505-S509 PolarHBondContact O-OG 3.21Å; D507-S509 VanDerWaalsContact C-N 3.31Å; D507-S509 PolarHBondContact O-N 2.85Å
510	H	95.3	Very high	95.7	Very high	102 Å²	102	31 Å²	31	47%	0.472	16%	0.158	S	C	.	.	S	Bend	trans	-98.2	151.7	171.2	-63	84.4	0	0	0	109.8	A506 D507 L508 R512	A506-H510 PolarHBondContact O-CE1 2.71Å; A506-H510 PolarHBondContact O-ND1 3.06Å; D507-H510 PolarHBondContact O-N 3.23Å; L508-H510 PolarHBondContact O-N 3.19Å; H510-R512 PolarHBondContact O-N 3.21Å
511	N	97.4	Very high	95.4	Very high	47 Å²	47	34 Å²	34	25%	0.251	18%	0.177	S	C	.	.			trans	-58.6	119.7	175.3	-175.8	-30	0	0	0	110	L513 N514 F593	N511-L513 PolarHBondContact O-N 2.98Å; N511-L513 VanDerWaalsContact O-N 3.1Å; N511-L513 PolarHBondContact OD1-N 3.13Å; N511-N514 WeakPolarHBondContact O-CB 3.42Å; N511-N514 PolarHBondContact O-N 2.8Å; N511-F593 WeakPolarHBondContact OD1-CE1 3.33Å
512	R	97.4	Very high	95.1	Very high	15 Å²	15	41 Å²	41	6%	0.057	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-36.6	-176.7	64.7	174.7	171.5	77.9	2.9	113.4	R213 I217 G440 F441 G442 H510 N514 D591 L592 F593	R213-R512 PolarHBondContact NH1-O 3.43Å; I217-R512 HydrophobicContact CD1-CB 4.1Å; G440-R512 PolarHBondContact O-NH1 2.99Å; F441-R512 CarbonylContact C-O 3.41Å; F441-R512 WeakPolarHBondContact CA-O 3.3Å; F441-R512 HydrophobicContact CB-CB 4.3Å; F441-R512 VanDerWaalsContact CB-O 3.24Å; F441-R512 WeakPolarHBondContact CB-O 3.19Å; G442-R512 PolarHBondContact N-O 2.95Å; H510-R512 PolarHBondContact O-N 3.21Å; R512-N514 PolarHBondContact O-N 2.96Å; R512-D591 PolarHBondContact NH2-O 2.85Å; R512-L592 PolarHBondContact NE-O 2.8Å; R512-F593 HydrophobicContact CG-CD1 3.95Å; R512-F593 HydrophobicContact CG-CE1 3.98Å
513	L	97.4	Very high	95	Very high	77 Å²	77	41.4 Å²	41.4	40%	0.403	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.9	-177.9	-72.2	175.9	0	0	0	113.1	G440 N511 F593	G440-L513 WeakPolarHBondContact O-CD2 3.49Å; N511-L513 PolarHBondContact O-N 2.98Å; N511-L513 VanDerWaalsContact O-N 3.1Å; N511-L513 PolarHBondContact OD1-N 3.13Å; L513-F593 HydrophobicContact CD1-CE1 3.77Å; L513-F593 HydrophobicContact CD1-CZ 3.6Å; L513-F593 HydrophobicContact CG-CE1 3.89Å; L513-F593 HydrophobicContact CG-CZ 4.22Å
514	N	96.4	Very high	94.8	Very high	97 Å²	97	41.4 Å²	41.4	52%	0.519	21%	0.209	S	C	.	.	S	Bend	trans	-81.6	158.8	178.3	-65.1	-16.2	0	0	0	111.1	R213 G442 N511 R512	R213-N514 PolarHBondContact NH1-O 3.19Å; G442-N514 WeakPolarHBondContact CA-O 3.22Å; N511-N514 WeakPolarHBondContact O-CB 3.42Å; N511-N514 PolarHBondContact O-N 2.8Å; R512-N514 PolarHBondContact O-N 2.96Å
515	D	95.7	Very high	94.6	Very high	89 Å²	89	43.7 Å²	43.7	48%	0.476	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-63.6	138.9	169.6	-67	-15.5	0	0	0	110.5	V443 L445	V443-D515 HydrophobicContact CG2-CB 4.37Å; V443-D515 VanDerWaalsContact CG2-OD1 3.28Å; V443-D515 WeakPolarHBondContact CG2-OD1 2.97Å; V443-D515 PolarHBondContact N-OD1 2.83Å; V443-D515 CarbonylContact O-C 3.42Å; V443-D515 WeakPolarHBondContact O-CA 3.39Å; L445-D515 HydrophobicContact CD1-CB 3.73Å; L445-D515 HydrophobicContact CG-CB 4.15Å
516	Y	93.9	Very high	94.1	Very high	11 Å²	11	46 Å²	46	4%	0.043	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.9	-178.6	168.7	-129.1	0	0	0	110.1	V443 V444 L445 A506 D507 F518 M523	V443-Y516 PolarHBondContact O-N 2.87Å; V444-Y516 WeakPolarHBondContact CA-O 3.42Å; V444-Y516 HydrophobicContact CG1-CD1 4.24Å; V444-Y516 HydrophobicContact CG2-CD1 4.37Å; L445-Y516 PolarHBondContact N-O 3.43Å; A506-Y516 HydrophobicContact CB-CE2 4.33Å; A506-Y516 WeakPolarHBondContact CB-OH 3.48Å; A506-Y516 VanDerWaalsContact O-CE2 3.3Å; A506-Y516 WeakPolarHBondContact O-CE2 3.05Å; D507-Y516 HydrophobicContact CB-CE1 4.32Å; Y516-F518 HydrophobicContact CE1-CB 4.33Å; Y516-F518 AromaticContact CE1-CD2 3.86Å; Y516-F518 HydrophobicContact CE1-CD2 3.86Å; Y516-M523 WeakPolarHBondContact OH-CE 3.38Å
517	I	94.3	Very high	93.7	Very high	72 Å²	72	54.8 Å²	54.8	37%	0.369	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110	176.4	-60.7	172	0	0	0	108.8	L445 S519	L445-I517 HydrophobicContact CB-CG1 4.37Å; I517-S519 PolarHBondContact O-N 3.25Å
518	F	92.9	Very high	93.4	Very high	9 Å²	9	56 Å²	56	4%	0.039	28%	0.278	C	S	.	.			trans	-77.6	115.2	177.1	-168.2	-79.1	0	0	0	110.5	V444 L445 F452 L465 Y516 F520 M523	V444-F518 HydrophobicContact CG1-CB 4.07Å; L445-F518 PolarHBondContact O-N 3.45Å; F452-F518 HydrophobicContact CD2-CB 4.11Å; F452-F518 HydrophobicContact CE2-CB 3.97Å; F452-F518 AromaticContact CE2-CD1 3.75Å; F452-F518 HydrophobicContact CE2-CD1 3.75Å; F452-F518 HydrophobicContact CE2-CG 4.07Å; F452-F518 HydrophobicContact CZ-CB 4.41Å; F452-F518 AromaticContact CZ-CD1 3.65Å; F452-F518 HydrophobicContact CZ-CD1 3.65Å; F452-F518 HydrophobicContact CZ-CE1 4.15Å; F452-F518 HydrophobicContact CZ-CG 4.06Å; L465-F518 HydrophobicContact CD1-CE1 4.31Å; L465-F518 HydrophobicContact CD1-CE2 3.8Å; L465-F518 HydrophobicContact CD1-CZ 3.71Å; L465-F518 HydrophobicContact CD2-CE2 4.02Å; L465-F518 HydrophobicContact CD2-CZ 3.8Å; L465-F518 HydrophobicContact CG-CE2 4.26Å; L465-F518 HydrophobicContact CG-CZ 3.8Å; Y516-F518 HydrophobicContact CE1-CB 4.33Å; Y516-F518 AromaticContact CE1-CD2 3.86Å; Y516-F518 HydrophobicContact CE1-CD2 3.86Å; F518-F520 HydrophobicContact CE1-CD1 4.14Å; F518-F520 AromaticContact CE1-CD2 3.76Å; F518-F520 HydrophobicContact CE1-CD2 3.76Å; F518-F520 AromaticContact CE1-CE1 3.99Å; F518-F520 HydrophobicContact CE1-CE1 3.99Å; F518-F520 AromaticContact CE1-CE2 3.61Å; F518-F520 HydrophobicContact CE1-CE2 3.61Å; F518-F520 HydrophobicContact CE1-CG 4.02Å; F518-F520 AromaticContact CE1-CZ 3.73Å; F518-F520 HydrophobicContact CE1-CZ 3.73Å; F518-F520 HydrophobicContact CZ-CD1 4.24Å; F518-F520 AromaticContact CZ-CE1 3.8Å; F518-F520 HydrophobicContact CZ-CE1 3.8Å; F518-F520 HydrophobicContact CZ-CE2 4.12Å; F518-F520 AromaticContact CZ-CZ 3.73Å; F518-F520 HydrophobicContact CZ-CZ 3.73Å; F518-M523 HydrophobicContact CD1-CE 4.03Å; F518-M523 HydrophobicContact CD2-CE 3.85Å; F518-M523 HydrophobicContact CE1-CE 3.76Å; F518-M523 HydrophobicContact CE2-CE 3.59Å; F518-M523 HydrophobicContact CG-CE 4.06Å; F518-M523 HydrophobicContact CZ-CE 3.53Å; F518-M523 HydrophobicContact CZ-SD 4.27Å
519	S	92.1	Very high	93.3	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.042	29%	0.29	C	S	.	.			trans	-140.4	111.6	178	172.3	0	0	0	0	110	E447 I517 D521 K522 M523	E447-S519 WeakPolarHBondContact OE1-CB 3.42Å; E447-S519 PolarHBondContact OE1-OG 3.13Å; I517-S519 PolarHBondContact O-N 3.25Å; S519-D521 VanDerWaalsContact C-N 3.3Å; S519-D521 PolarHBondContact O-N 3.48Å; S519-K522 PolarHBondContact O-N 2.83Å; S519-K522 WeakPolarHBondContact OG-CG 3.47Å; S519-K522 PolarHBondContact OG-N 2.94Å; S519-M523 VanDerWaalsContact O-CE 3.26Å; S519-M523 WeakPolarHBondContact O-CE 3.18Å; S519-M523 VanDerWaalsContact O-CG 3.31Å; S519-M523 WeakPolarHBondContact O-CG 3.04Å; S519-M523 PolarHBondContact O-N 2.97Å
520	F	89.8	Confident	93.2	Very high	29 Å²	29	58.1 Å²	58.1	13%	0.127	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-41.1	178.6	-86.2	-60.2	0	0	0	111.8	L465 E468 R472 F518 M523 L524	L465-F520 HydrophobicContact CD2-CZ 4.49Å; L465-F520 HydrophobicContact CG-CZ 4.15Å; E468-F520 HydrophobicContact CB-CE2 4.28Å; E468-F520 HydrophobicContact CB-CZ 4.1Å; E468-F520 HydrophobicContact CG-CD2 4.32Å; E468-F520 HydrophobicContact CG-CE2 3.72Å; E468-F520 HydrophobicContact CG-CZ 3.94Å; R472-F520 VanDerWaalsContact NH1-CB 3.26Å; F518-F520 HydrophobicContact CE1-CD1 4.14Å; F518-F520 AromaticContact CE1-CD2 3.76Å; F518-F520 HydrophobicContact CE1-CD2 3.76Å; F518-F520 AromaticContact CE1-CE1 3.99Å; F518-F520 HydrophobicContact CE1-CE1 3.99Å; F518-F520 AromaticContact CE1-CE2 3.61Å; F518-F520 HydrophobicContact CE1-CE2 3.61Å; F518-F520 HydrophobicContact CE1-CG 4.02Å; F518-F520 AromaticContact CE1-CZ 3.73Å; F518-F520 HydrophobicContact CE1-CZ 3.73Å; F518-F520 HydrophobicContact CZ-CD1 4.24Å; F518-F520 AromaticContact CZ-CE1 3.8Å; F518-F520 HydrophobicContact CZ-CE1 3.8Å; F518-F520 HydrophobicContact CZ-CE2 4.12Å; F518-F520 AromaticContact CZ-CZ 3.73Å; F518-F520 HydrophobicContact CZ-CZ 3.73Å; F520-M523 HydrophobicContact CD1-SD 4.1Å; F520-M523 WeakPolarHBondContact O-CG 3.32Å; F520-L524 HydrophobicContact CD1-CD1 4.39Å; F520-L524 VanDerWaalsContact O-CB 3.28Å; F520-L524 WeakPolarHBondContact O-CB 3.13Å; F520-L524 WeakPolarHBondContact O-CG 3.42Å; F520-L524 PolarHBondContact O-N 3.24Å
521	D	89.9	Confident	93.2	Very high	105 Å²	105	53.3 Å²	53.3	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-66.9	-42.9	-175.9	-62.2	-18.4	0	0	0	110.8	R472 S519 D525	R472-D521 IonicContact NH1-OD1 3.62Å; R472-D521 PolarHBondContact NH1-OD1 2.96Å; S519-D521 VanDerWaalsContact C-N 3.3Å; S519-D521 PolarHBondContact O-N 3.48Å; D521-D525 PolarHBondContact O-N 2.92Å
522	K	91.7	Very high	93.1	Very high	149 Å²	149	51.4 Å²	51.4	65%	0.648	26%	0.257	S	S	*	.	H	α-helix	trans	-69.8	-44	177.2	-69.1	-177.6	178.5	-178.9	0	112.8	S519 L524 D525 T530	S519-K522 PolarHBondContact O-N 2.83Å; S519-K522 WeakPolarHBondContact OG-CG 3.47Å; S519-K522 PolarHBondContact OG-N 2.94Å; K522-L524 VanDerWaalsContact C-N 3.3Å; K522-L524 PolarHBondContact O-N 3.21Å; K522-D525 PolarHBondContact O-N 3.44Å; K522-T530 WeakPolarHBondContact O-CG2 3.32Å
523	M	92.9	Very high	92.9	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-70.4	-29.9	-176.6	72.4	179.1	69.4	0	0	112.8	C502 I503 A506 Y516 F518 S519 F520	C502-M523 HydrophobicContact CB-CB 4.49Å; C502-M523 HydrophobicContact CB-CG 4.32Å; C502-M523 PolarHBondContact SG-O 3.38Å; I503-M523 HydrophobicContact CG1-SD 4.14Å; A506-M523 HydrophobicContact CB-CB 3.53Å; Y516-M523 WeakPolarHBondContact OH-CE 3.38Å; F518-M523 HydrophobicContact CD1-CE 4.03Å; F518-M523 HydrophobicContact CD2-CE 3.85Å; F518-M523 HydrophobicContact CE1-CE 3.76Å; F518-M523 HydrophobicContact CE2-CE 3.59Å; F518-M523 HydrophobicContact CG-CE 4.06Å; F518-M523 HydrophobicContact CZ-CE 3.53Å; F518-M523 HydrophobicContact CZ-SD 4.27Å; S519-M523 VanDerWaalsContact O-CE 3.26Å; S519-M523 WeakPolarHBondContact O-CE 3.18Å; S519-M523 VanDerWaalsContact O-CG 3.31Å; S519-M523 WeakPolarHBondContact O-CG 3.04Å; S519-M523 PolarHBondContact O-N 2.97Å; F520-M523 HydrophobicContact CD1-SD 4.1Å; F520-M523 WeakPolarHBondContact O-CG 3.32Å
524	L	92	Very high	92.9	Very high	6 Å²	6	49 Å²	49	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-88.6	-7.1	178.1	-69.2	169.2	0	0	0	112.5	R472 K476 I498 C502 F520 K522 D526	R472-L524 HydrophobicContact CB-CD1 3.56Å; R472-L524 HydrophobicContact CG-CD1 4.49Å; K476-L524 HydrophobicContact CD-CB 4.31Å; K476-L524 PolarHBondContact NZ-O 2.79Å; I498-L524 HydrophobicContact CG2-CD2 3.89Å; C502-L524 HydrophobicContact CB-CD2 3.85Å; F520-L524 HydrophobicContact CD1-CD1 4.39Å; F520-L524 VanDerWaalsContact O-CB 3.28Å; F520-L524 WeakPolarHBondContact O-CB 3.13Å; F520-L524 WeakPolarHBondContact O-CG 3.42Å; F520-L524 PolarHBondContact O-N 3.24Å; K522-L524 VanDerWaalsContact C-N 3.3Å; K522-L524 PolarHBondContact O-N 3.21Å; L524-D526 PolarHBondContact O-N 2.9Å
525	D	92.5	Very high	92.9	Very high	57 Å²	57	44.3 Å²	44.3	31%	0.305	22%	0.218	S	C	.	.			trans	-53	134	-179	-162.5	-37.2	0	0	0	110.6	D521 K522 R527 T530	D521-D525 PolarHBondContact O-N 2.92Å; K522-D525 PolarHBondContact O-N 3.44Å; D525-R527 PolarHBondContact O-N 3.47Å; D525-R527 PolarHBondContact OD1-N 3.44Å; D525-R527 IonicContact OD1-NE 2.71Å; D525-T530 PolarHBondContact O-OG1 2.92Å
526	D	88.2	Confident	92.8	Very high	49 Å²	49	45.5 Å²	45.5	26%	0.262	22%	0.217	S	C	.	.	S	Bend	trans	-79.7	-6.3	-176.1	-53.5	-4.7	0	0	0	111.6	K476 K480 L524	K476-D526 IonicContact NZ-OD1 3.68Å; K476-D526 PolarHBondContact NZ-OD1 2.93Å; K480-D526 WeakPolarHBondContact CE-OD2 3.48Å; K480-D526 IonicContact NZ-OD2 3.97Å; K480-D526 PolarHBondContact NZ-OD2 3.08Å; L524-D526 PolarHBondContact O-N 2.9Å
527	R	87.7	Confident	92.9	Very high	196 Å²	196	45.4 Å²	45.4	74%	0.74	22%	0.219	S	C	*	.	S	Bend	trans	-117.9	146.8	177.5	-59.5	178.5	-63.5	178.3	0.6	109.8	D525	D525-R527 PolarHBondContact O-N 3.47Å; D525-R527 PolarHBondContact OD1-N 3.44Å; D525-R527 IonicContact OD1-NE 2.71Å
528	G	89.6	Confident	93	Very high	30 Å²	30	42.1 Å²	42.1	31%	0.309	20%	0.202	S	C	.	.	S	Bend	trans	91.9	-163.8	176.6	0	0	0	0	0	113	T530 Y533 Y602	G528-T530 VanDerWaalsContact C-N 3.31Å; G528-T530 PolarHBondContact O-N 3.49Å; G528-Y533 WeakPolarHBondContact O-CB 3.4Å; G528-Y533 WeakPolarHBondContact O-CD1 3.21Å; G528-Y602 VanDerWaalsContact O-CE2 3.27Å; G528-Y602 WeakPolarHBondContact O-CE2 3.2Å
529	N	94.3	Very high	93	Very high	52 Å²	52	42.1 Å²	42.1	28%	0.278	20%	0.202	S	C	.	.	S	Bend	trans	-83.6	72	-173.5	-168.6	7.7	0	0	0	111.1	Y505 Y602	Y505-N529 WeakPolarHBondContact CE1-O 3.3Å; Y505-N529 VanDerWaalsContact CE1-OD1 3.3Å; Y505-N529 WeakPolarHBondContact CE1-OD1 3.42Å; Y505-N529 PolarHBondContact OH-OD1 3.13Å; N529-Y602 HydrophobicContact CB-CD1 4.27Å; N529-Y602 HydrophobicContact CB-CD2 4.01Å; N529-Y602 HydrophobicContact CB-CE1 4.37Å; N529-Y602 HydrophobicContact CB-CE2 4.13Å; N529-Y602 HydrophobicContact CB-CG 4.1Å; N529-Y602 WeakPolarHBondContact OD1-CB 3.43Å
530	T	95.6	Very high	93.1	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.086	22%	0.217	C	C	.	.	S	Bend	trans	-130.9	157.2	-179.4	66.7	0	0	0	0	111.2	K522 D525 G528 A532 Y533 L534	K522-T530 WeakPolarHBondContact O-CG2 3.32Å; D525-T530 PolarHBondContact O-OG1 2.92Å; G528-T530 VanDerWaalsContact C-N 3.31Å; G528-T530 PolarHBondContact O-N 3.49Å; T530-A532 PolarHBondContact O-N 3.14Å; T530-Y533 PolarHBondContact O-N 2.99Å; T530-Y533 PolarHBondContact OG1-N 3.19Å; T530-L534 WeakPolarHBondContact O-CG 3.44Å; T530-L534 PolarHBondContact O-N 3.42Å; T530-L534 VanDerWaalsContact O-N 3.08Å
531	A	96.1	Very high	93.3	Very high	1 Å²	1	45 Å²	45	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-31	172.4	0	0	0	0	0	112.2	G501 Y505 Y533 L534 L535 I654	G501-A531 VanDerWaalsContact C-CB 3.45Å; G501-A531 WeakPolarHBondContact O-CB 3.42Å; Y505-A531 HydrophobicContact CG-CB 4.04Å; A531-Y533 PolarHBondContact O-N 3.29Å; A531-L534 PolarHBondContact O-N 2.91Å; A531-L535 VanDerWaalsContact O-CB 3.32Å; A531-L535 WeakPolarHBondContact O-CB 3.44Å; A531-L535 VanDerWaalsContact O-CG 3.28Å; A531-L535 WeakPolarHBondContact O-CG 3.11Å; A531-L535 PolarHBondContact O-N 3.44Å; A531-I654 HydrophobicContact CB-CD1 4.36Å
532	A	94.1	Very high	93.5	Very high	7 Å²	7	42.5 Å²	42.5	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-47.1	175.4	0	0	0	0	0	111.4	C502 T530 Y536	C502-A532 PolarHBondContact SG-N 3.49Å; T530-A532 PolarHBondContact O-N 3.14Å; A532-Y536 WeakPolarHBondContact O-CB 3.28Å; A532-Y536 PolarHBondContact O-N 2.86Å
533	Y	95.2	Very high	93.5	Very high	40 Å²	40	36.4 Å²	36.4	16%	0.157	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-45.7	173.2	169.3	-104.1	0	0	0	111.9	G528 T530 A531 Y536 A537 Y602 A605	G528-Y533 WeakPolarHBondContact O-CB 3.4Å; G528-Y533 WeakPolarHBondContact O-CD1 3.21Å; T530-Y533 PolarHBondContact O-N 2.99Å; T530-Y533 PolarHBondContact OG1-N 3.19Å; A531-Y533 PolarHBondContact O-N 3.29Å; Y533-Y536 PolarHBondContact O-N 2.92Å; Y533-A537 WeakPolarHBondContact O-CB 3.4Å; Y533-A537 PolarHBondContact O-N 2.91Å; Y533-Y602 AromaticContact CD1-CD2 3.93Å; Y533-Y602 HydrophobicContact CD1-CD2 3.93Å; Y533-Y602 AromaticContact CD1-CE2 3.64Å; Y533-Y602 HydrophobicContact CD1-CE2 3.64Å; Y533-Y602 AromaticContact CE1-CD2 3.88Å; Y533-Y602 HydrophobicContact CE1-CD2 3.88Å; Y533-Y602 AromaticContact CE1-CE2 3.54Å; Y533-Y602 HydrophobicContact CE1-CE2 3.54Å; Y533-A605 HydrophobicContact CE1-CB 4.11Å
534	L	97.3	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-39.5	-174.1	-67	171.4	0	0	0	113.4	Y505 T530 A531 Y536 A537 F538 I601 Y602 A605 M645 F649	Y505-L534 HydrophobicContact CD2-CD1 4.24Å; Y505-L534 HydrophobicContact CE1-CD1 4.09Å; Y505-L534 HydrophobicContact CE2-CD1 3.44Å; Y505-L534 VanDerWaalsContact CE2-CD1 3.44Å; Y505-L534 VanDerWaalsContact OH-CD1 3.32Å; Y505-L534 WeakPolarHBondContact OH-CD1 3.41Å; T530-L534 WeakPolarHBondContact O-CG 3.44Å; T530-L534 PolarHBondContact O-N 3.42Å; T530-L534 VanDerWaalsContact O-N 3.08Å; A531-L534 PolarHBondContact O-N 2.91Å; L534-Y536 VanDerWaalsContact C-N 3.35Å; L534-A537 PolarHBondContact O-N 3.23Å; L534-F538 VanDerWaalsContact O-CB 3.23Å; L534-F538 WeakPolarHBondContact O-CB 3.32Å; L534-F538 PolarHBondContact O-N 3.45Å; L534-I601 HydrophobicContact CD1-CG2 4.12Å; L534-I601 HydrophobicContact CD2-CG2 4.25Å; L534-Y602 HydrophobicContact CD2-CD2 4.19Å; L534-A605 HydrophobicContact CD2-CB 3.77Å; L534-M645 HydrophobicContact CD2-CE 4.34Å; L534-F649 HydrophobicContact CB-CE1 3.94Å; L534-F649 HydrophobicContact CB-CZ 3.83Å; L534-F649 HydrophobicContact CD1-CE1 4.38Å
535	L	95.9	Very high	93.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-41.4	173.9	-71.2	168.9	0	0	0	110.7	S497 I498 A531 F538 T539 F649 I654 M660	S497-L535 WeakPolarHBondContact OG-CD1 3.37Å; I498-L535 HydrophobicContact CG1-CD1 4.35Å; A531-L535 VanDerWaalsContact O-CB 3.32Å; A531-L535 WeakPolarHBondContact O-CB 3.44Å; A531-L535 VanDerWaalsContact O-CG 3.28Å; A531-L535 WeakPolarHBondContact O-CG 3.11Å; A531-L535 PolarHBondContact O-N 3.44Å; L535-F538 PolarHBondContact O-N 2.83Å; L535-T539 WeakPolarHBondContact O-CG2 3.37Å; L535-T539 PolarHBondContact O-N 2.98Å; L535-T539 PolarHBondContact O-OG1 2.86Å; L535-F649 HydrophobicContact CD2-CE2 4.49Å; L535-I654 HydrophobicContact CD1-CG2 4.49Å; L535-I654 HydrophobicContact CD2-CG2 4.06Å; L535-M660 HydrophobicContact CB-CE 4.1Å; L535-M660 HydrophobicContact CB-SD 3.99Å
536	Y	93.4	Very high	93.3	Very high	113 Å²	113	38.6 Å²	38.6	44%	0.443	18%	0.177	S	C	.	.	H	α-helix	trans	-61.9	-49.4	173.4	172.4	-103.3	0	0	0	111.7	A532 Y533 L534 F538 T539 R540	A532-Y536 WeakPolarHBondContact O-CB 3.28Å; A532-Y536 PolarHBondContact O-N 2.86Å; Y533-Y536 PolarHBondContact O-N 2.92Å; L534-Y536 VanDerWaalsContact C-N 3.35Å; Y536-F538 VanDerWaalsContact C-N 3.32Å; Y536-F538 PolarHBondContact O-N 3.02Å; Y536-T539 PolarHBondContact O-N 3.07Å; Y536-T539 PolarHBondContact O-OG1 3.19Å; Y536-R540 PolarHBondContact O-N 3.38Å
537	A	94.8	Very high	93.3	Very high	10 Å²	10	41.5 Å²	41.5	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-44.5	177.4	0	0	0	0	0	111.3	Y533 L534 T539 R540 I541 A605	Y533-A537 WeakPolarHBondContact O-CB 3.4Å; Y533-A537 PolarHBondContact O-N 2.91Å; L534-A537 PolarHBondContact O-N 3.23Å; A537-T539 PolarHBondContact O-N 2.98Å; A537-R540 WeakPolarHBondContact O-CB 3.34Å; A537-R540 PolarHBondContact O-N 2.93Å; A537-I541 VanDerWaalsContact O-CG1 3.24Å; A537-I541 WeakPolarHBondContact O-CG1 3.29Å; A537-I541 PolarHBondContact O-N 3.37Å; A537-A605 HydrophobicContact CB-CB 4.43Å
538	F	96.8	Very high	93.4	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.013	16%	0.161	C	C	.	.	H	α-helix	trans	-58	-47.8	175.9	177.3	-97.4	0	0	0	112.3	L534 L535 Y536 R540 I541 R542 A642 M645 A646 F649 P656 V657	L534-F538 VanDerWaalsContact O-CB 3.23Å; L534-F538 WeakPolarHBondContact O-CB 3.32Å; L534-F538 PolarHBondContact O-N 3.45Å; L535-F538 PolarHBondContact O-N 2.83Å; Y536-F538 VanDerWaalsContact C-N 3.32Å; Y536-F538 PolarHBondContact O-N 3.02Å; F538-R540 VanDerWaalsContact C-N 3.29Å; F538-R540 PolarHBondContact O-N 3.5Å; F538-I541 PolarHBondContact O-N 3.41Å; F538-R542 HydrophobicContact CD1-CG 4.37Å; F538-R542 HydrophobicContact CE1-CG 3.92Å; F538-R542 HydrophobicContact CE2-CG 4.43Å; F538-R542 HydrophobicContact CZ-CG 3.96Å; F538-R542 WeakPolarHBondContact O-CG 3.39Å; F538-R542 PolarHBondContact O-N 3.15Å; F538-A642 HydrophobicContact CD2-CB 4.27Å; F538-A642 HydrophobicContact CE2-CB 3.87Å; F538-A642 WeakPolarHBondContact CE2-O 3.39Å; F538-M645 HydrophobicContact CB-CE 4.2Å; F538-M645 HydrophobicContact CD2-CB 3.99Å; F538-M645 HydrophobicContact CE2-CB 4.46Å; F538-A646 HydrophobicContact CE2-CB 4.02Å; F538-A646 HydrophobicContact CZ-CB 4.23Å; F538-F649 HydrophobicContact CB-CE2 3.86Å; F538-F649 HydrophobicContact CB-CZ 4.38Å; F538-F649 AromaticContact CD2-CE2 3.92Å; F538-F649 HydrophobicContact CD2-CE2 3.92Å; F538-F649 AromaticContact CG-CE2 3.87Å; F538-F649 HydrophobicContact CG-CE2 3.87Å; F538-P656 HydrophobicContact CD1-CB 4.14Å; F538-P656 HydrophobicContact CE1-CB 3.68Å; F538-P656 HydrophobicContact CZ-CB 4Å; F538-V657 WeakPolarHBondContact CD1-O 3.47Å; F538-V657 WeakPolarHBondContact CE1-O 3.36Å
539	T	93.8	Very high	93.3	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.049	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-34.4	178.1	67.1	0	0	0	0	112.1	L535 Y536 A537 S543 V657 M660	L535-T539 WeakPolarHBondContact O-CG2 3.37Å; L535-T539 PolarHBondContact O-N 2.98Å; L535-T539 PolarHBondContact O-OG1 2.86Å; Y536-T539 PolarHBondContact O-N 3.07Å; Y536-T539 PolarHBondContact O-OG1 3.19Å; A537-T539 PolarHBondContact O-N 2.98Å; T539-S543 VanDerWaalsContact O-CB 3.28Å; T539-S543 WeakPolarHBondContact O-CB 3.36Å; T539-S543 PolarHBondContact O-N 3.08Å; T539-V657 HydrophobicContact CG2-CG2 3.82Å; T539-V657 WeakPolarHBondContact CG2-O 3.46Å; T539-M660 HydrophobicContact CG2-CB 3.45Å; T539-M660 VanDerWaalsContact CG2-CB 3.45Å; T539-M660 HydrophobicContact CG2-SD 4.47Å
540	R	93.5	Very high	93.1	Very high	92 Å²	92	36.1 Å²	36.1	35%	0.347	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-43	173.9	-177.4	177	168.3	179.9	-7.9	111	Y536 A537 F538 S543 I544	Y536-R540 PolarHBondContact O-N 3.38Å; A537-R540 WeakPolarHBondContact O-CB 3.34Å; A537-R540 PolarHBondContact O-N 2.93Å; F538-R540 VanDerWaalsContact C-N 3.29Å; F538-R540 PolarHBondContact O-N 3.5Å; R540-S543 WeakPolarHBondContact O-CB 3.49Å; R540-S543 PolarHBondContact O-N 2.95Å; R540-S543 PolarHBondContact O-OG 3.11Å; R540-I544 PolarHBondContact O-N 3.27Å
541	I	95.3	Very high	92.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-52	176.5	-64.9	162.5	0	0	0	110.5	A537 F538 S543 I544 F608 C638 V641 A642 M645	A537-I541 VanDerWaalsContact O-CG1 3.24Å; A537-I541 WeakPolarHBondContact O-CG1 3.29Å; A537-I541 PolarHBondContact O-N 3.37Å; F538-I541 PolarHBondContact O-N 3.41Å; I541-S543 PolarHBondContact O-N 3.44Å; I541-I544 PolarHBondContact O-N 3.26Å; I541-F608 HydrophobicContact CB-CZ 4.41Å; I541-F608 HydrophobicContact CD1-CD1 3.91Å; I541-F608 HydrophobicContact CD1-CD2 4.47Å; I541-F608 HydrophobicContact CD1-CE1 4.19Å; I541-F608 HydrophobicContact CD1-CG 4.08Å; I541-F608 HydrophobicContact CG1-CD1 3.66Å; I541-F608 HydrophobicContact CG1-CD2 4.37Å; I541-F608 HydrophobicContact CG1-CE1 3.41Å; I541-F608 VanDerWaalsContact CG1-CE1 3.41Å; I541-F608 HydrophobicContact CG1-CE2 4.13Å; I541-F608 HydrophobicContact CG1-CG 4.15Å; I541-F608 HydrophobicContact CG1-CZ 3.67Å; I541-F608 HydrophobicContact CG2-CE2 4.36Å; I541-F608 HydrophobicContact CG2-CZ 4.34Å; I541-C638 HydrophobicContact CG2-CB 4.09Å; I541-C638 WeakPolarHBondContact CG2-O 3.34Å; I541-V641 HydrophobicContact CD1-CG1 3.71Å; I541-A642 HydrophobicContact CG2-CB 3.81Å; I541-M645 HydrophobicContact CD1-SD 3.76Å
542	R	92.9	Very high	92.5	Very high	53 Å²	53	46 Å²	46	20%	0.2	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-33.9	174.9	-68.9	-81.9	94.1	173.7	15.4	112.4	F538 I544 E639 A642	F538-R542 HydrophobicContact CD1-CG 4.37Å; F538-R542 HydrophobicContact CE1-CG 3.92Å; F538-R542 HydrophobicContact CE2-CG 4.43Å; F538-R542 HydrophobicContact CZ-CG 3.96Å; F538-R542 WeakPolarHBondContact O-CG 3.39Å; F538-R542 PolarHBondContact O-N 3.15Å; R542-I544 VanDerWaalsContact C-N 3.28Å; R542-I544 PolarHBondContact O-N 2.9Å; R542-E639 IonicContact CZ-OE1 3.08Å; R542-E639 IonicContact CZ-OE2 2.71Å; R542-E639 IonicContact NH1-OE1 3.47Å; R542-E639 PolarHBondContact NH1-OE1 3.49Å; R542-E639 IonicContact NH1-OE2 2.97Å; R542-E639 PolarHBondContact NH1-OE2 3.32Å; R542-E639 PolarHBondContact NH2-O 3.45Å; R542-E639 IonicContact NH2-OE1 3.59Å; R542-E639 PolarHBondContact NH2-OE1 3Å; R542-E639 IonicContact NH2-OE2 2.83Å; R542-E639 PolarHBondContact NH2-OE2 2.91Å; R542-A642 HydrophobicContact CG-CB 4.4Å; R542-A642 VanDerWaalsContact NE-CB 3.29Å
543	S	92.4	Very high	92.3	Very high	20 Å²	20	53 Å²	53	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-24.4	-178.5	81.1	0	0	0	0	113.8	T539 R540 I541 R546 L547	T539-S543 VanDerWaalsContact O-CB 3.28Å; T539-S543 WeakPolarHBondContact O-CB 3.36Å; T539-S543 PolarHBondContact O-N 3.08Å; R540-S543 WeakPolarHBondContact O-CB 3.49Å; R540-S543 PolarHBondContact O-N 2.95Å; R540-S543 PolarHBondContact O-OG 3.11Å; I541-S543 PolarHBondContact O-N 3.44Å; S543-R546 PolarHBondContact O-N 2.95Å; S543-L547 VanDerWaalsContact O-CB 3.3Å; S543-L547 WeakPolarHBondContact O-CB 3.14Å; S543-L547 VanDerWaalsContact O-CG 3.23Å; S543-L547 WeakPolarHBondContact O-CG 3.12Å; S543-L547 PolarHBondContact O-N 3.21Å
544	I	93.1	Very high	92.2	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-48.2	-177.3	-65.2	159.2	0	0	0	110.6	R540 I541 R542 A548 F608 Y612 C617 M635	R540-I544 PolarHBondContact O-N 3.27Å; I541-I544 PolarHBondContact O-N 3.26Å; R542-I544 VanDerWaalsContact C-N 3.28Å; R542-I544 PolarHBondContact O-N 2.9Å; I544-A548 WeakPolarHBondContact O-CB 3.33Å; I544-A548 PolarHBondContact O-N 3.15Å; I544-A548 VanDerWaalsContact O-N 3.15Å; I544-F608 HydrophobicContact CD1-CE1 4.32Å; I544-F608 HydrophobicContact CD1-CZ 3.65Å; I544-Y612 HydrophobicContact CD1-CD2 3.64Å; I544-Y612 HydrophobicContact CD1-CE2 3.3Å; I544-Y612 HydrophobicContact CG1-CE2 3.77Å; I544-Y612 HydrophobicContact CG2-CE2 4.35Å; I544-C617 HydrophobicContact CG2-CB 4.17Å; I544-M635 HydrophobicContact CG2-CE 3.87Å; I544-M635 HydrophobicContact CG2-SD 3.76Å
545	A	90.4	Very high	92	Very high	13 Å²	13	56 Å²	56	11%	0.107	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-44.6	175.4	0	0	0	0	0	111.8	L547 A548 N549 I550 L555 M635	A545-L547 PolarHBondContact O-N 3.47Å; A545-A548 CarbonylContact O-C 3.55Å; A545-A548 PolarHBondContact O-N 2.81Å; A545-A548 VanDerWaalsContact O-N 3.12Å; A545-N549 PolarHBondContact O-N 3.34Å; A545-I550 PolarHBondContact O-N 2.97Å; A545-I550 VanDerWaalsContact O-N 3.09Å; A545-L555 HydrophobicContact CB-CD1 3.99Å; A545-M635 HydrophobicContact CB-CE 4.47Å
546	R	88.6	Confident	91.8	Very high	98 Å²	98	60.3 Å²	60.3	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-45.1	178.5	-174.7	175.1	65	-130.3	3.2	112.7	S543 A548 N549 Q658	S543-R546 PolarHBondContact O-N 2.95Å; R546-A548 PolarHBondContact O-N 3.39Å; R546-N549 PolarHBondContact O-N 3.43Å; R546-N549 VanDerWaalsContact O-N 3.13Å; R546-Q658 PolarHBondContact NH1-O 2.97Å
547	L	88.1	Confident	91.9	Very high	111 Å²	111	60.5 Å²	60.5	58%	0.581	29%	0.291	S	S	*	.	H	α-helix	trans	-72.2	-17.3	178.9	-71	173.3	0	0	0	113	S543 A545 N549	S543-L547 VanDerWaalsContact O-CB 3.3Å; S543-L547 WeakPolarHBondContact O-CB 3.14Å; S543-L547 VanDerWaalsContact O-CG 3.23Å; S543-L547 WeakPolarHBondContact O-CG 3.12Å; S543-L547 PolarHBondContact O-N 3.21Å; A545-L547 PolarHBondContact O-N 3.47Å; L547-N549 VanDerWaalsContact C-N 3.29Å
548	A	89.9	Confident	91.9	Very high	11 Å²	11	60.4 Å²	60.4	9%	0.091	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.5	172.2	0	0	0	0	0	112.8	I544 A545 R546 I550 V618 M635	I544-A548 WeakPolarHBondContact O-CB 3.33Å; I544-A548 PolarHBondContact O-N 3.15Å; I544-A548 VanDerWaalsContact O-N 3.15Å; A545-A548 CarbonylContact O-C 3.55Å; A545-A548 PolarHBondContact O-N 2.81Å; A545-A548 VanDerWaalsContact O-N 3.12Å; R546-A548 PolarHBondContact O-N 3.39Å; A548-I550 HydrophobicContact CB-CD1 3.97Å; A548-I550 HydrophobicContact CB-CG1 3.86Å; A548-I550 PolarHBondContact O-N 3.41Å; A548-V618 HydrophobicContact CB-CG2 3.91Å; A548-M635 HydrophobicContact CB-CE 3.53Å
549	N	88.4	Confident	91.7	Very high	138 Å²	138	60.5 Å²	60.5	74%	0.738	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38	-173.7	-60.9	-33.2	0	0	0	112.9	A545 R546 L547	A545-N549 PolarHBondContact O-N 3.34Å; R546-N549 PolarHBondContact O-N 3.43Å; R546-N549 VanDerWaalsContact O-N 3.13Å; L547-N549 VanDerWaalsContact C-N 3.29Å
550	I	89.6	Confident	91.7	Very high	15 Å²	15	68 Å²	68	8%	0.077	32%	0.319	C	S	.	.			trans	-99	117.2	173.1	-50.5	178.8	0	0	0	107	A545 A548 M554 L555 V630 M632 M635	A545-I550 PolarHBondContact O-N 2.97Å; A545-I550 VanDerWaalsContact O-N 3.09Å; A548-I550 HydrophobicContact CB-CD1 3.97Å; A548-I550 HydrophobicContact CB-CG1 3.86Å; A548-I550 PolarHBondContact O-N 3.41Å; I550-M554 HydrophobicContact CG2-CB 3.67Å; I550-M554 HydrophobicContact CG2-CE 4.43Å; I550-M554 HydrophobicContact CG2-SD 4.42Å; I550-L555 HydrophobicContact CG2-CD2 3.91Å; I550-L555 HydrophobicContact CG2-CG 3.75Å; I550-V630 HydrophobicContact CD1-CG1 3.79Å; I550-M632 HydrophobicContact CD1-CE 4.18Å; I550-M635 HydrophobicContact CD1-CE 3.43Å; I550-M635 VanDerWaalsContact CD1-CE 3.43Å; I550-M635 HydrophobicContact CD1-CG 4.12Å; I550-M635 HydrophobicContact CG1-CE 4.46Å
551	D	89.9	Confident	91.8	Very high	86 Å²	86	70.3 Å²	70.3	46%	0.46	33%	0.334	S	S	.	.			trans	-81.2	174.3	174.3	64.5	37.1	0	0	0	111.9	E553 M554 L555	D551-E553 VanDerWaalsContact C-N 3.33Å; D551-E553 PolarHBondContact O-N 3.36Å; D551-E553 PolarHBondContact OD1-N 2.95Å; D551-E553 VanDerWaalsContact OD1-N 3.16Å; D551-M554 PolarHBondContact O-N 2.92Å; D551-M554 WeakPolarHBondContact OD1-CB 3.39Å; D551-M554 WeakPolarHBondContact OD1-CG 3.27Å; D551-M554 PolarHBondContact OD1-N 3.17Å; D551-L555 PolarHBondContact O-N 3.24Å
552	E	88.8	Confident	91.8	Very high	138 Å²	138	72.1 Å²	72.1	65%	0.645	35%	0.345	S	S	*	.	H	α-helix	trans	-67.1	-34.6	-176.9	-162.2	176.5	165.6	0	0	112.4	L555 Q556	E552-L555 PolarHBondContact O-N 2.92Å; E552-Q556 WeakPolarHBondContact O-CB 3.43Å; E552-Q556 VanDerWaalsContact O-CG 3.24Å; E552-Q556 WeakPolarHBondContact O-CG 3.3Å; E552-Q556 PolarHBondContact O-N 3.5Å; E552-Q556 PolarHBondContact OE1-NE2 3.28Å
553	E	91.1	Very high	91.9	Very high	154 Å²	154	75.1 Å²	75.1	72%	0.72	36%	0.36	S	S	*	.	H	α-helix	trans	-67	-42.8	179.1	-170.5	-179.9	172.2	0	0	111	D551 L555 Q556 K557	D551-E553 VanDerWaalsContact C-N 3.33Å; D551-E553 PolarHBondContact O-N 3.36Å; D551-E553 PolarHBondContact OD1-N 2.95Å; D551-E553 VanDerWaalsContact OD1-N 3.16Å; E553-L555 PolarHBondContact O-N 3.37Å; E553-Q556 PolarHBondContact O-N 3.43Å; E553-K557 WeakPolarHBondContact O-CB 3.27Å; E553-K557 PolarHBondContact O-N 3.19Å
554	M	93.1	Very high	92.2	Very high	90 Å²	90	74.3 Å²	74.3	44%	0.443	35%	0.354	S	S	.	.	H	α-helix	trans	-60.2	-43.7	174	-72.1	177.8	73.5	0	0	111.7	I550 D551 A558	I550-M554 HydrophobicContact CG2-CB 3.67Å; I550-M554 HydrophobicContact CG2-CE 4.43Å; I550-M554 HydrophobicContact CG2-SD 4.42Å; D551-M554 PolarHBondContact O-N 2.92Å; D551-M554 WeakPolarHBondContact OD1-CB 3.39Å; D551-M554 WeakPolarHBondContact OD1-CG 3.27Å; D551-M554 PolarHBondContact OD1-N 3.17Å; M554-A558 WeakPolarHBondContact O-CB 3.43Å; M554-A558 PolarHBondContact O-N 3.09Å
555	L	92.4	Very high	92.4	Very high	12 Å²	12	77.4 Å²	77.4	6%	0.063	37%	0.37	C	S	.	.	H	α-helix	trans	-64.7	-46.5	176.7	-74.3	171.9	0	0	0	111.8	A545 I550 D551 E552 E553 K557 A558 A559 M635	A545-L555 HydrophobicContact CB-CD1 3.99Å; I550-L555 HydrophobicContact CG2-CD2 3.91Å; I550-L555 HydrophobicContact CG2-CG 3.75Å; D551-L555 PolarHBondContact O-N 3.24Å; E552-L555 PolarHBondContact O-N 2.92Å; E553-L555 PolarHBondContact O-N 3.37Å; L555-K557 VanDerWaalsContact C-N 3.34Å; L555-K557 PolarHBondContact O-N 2.85Å; L555-A558 PolarHBondContact O-N 2.72Å; L555-A559 WeakPolarHBondContact O-CB 3.26Å; L555-A559 PolarHBondContact O-N 3.34Å; L555-M635 HydrophobicContact CD2-CB 4.45Å
556	Q	92.2	Very high	92.7	Very high	90 Å²	90	77 Å²	77	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-63.8	-38.5	179.8	-72.9	176.4	12	0	0	112.2	E552 E553 R560	E552-Q556 WeakPolarHBondContact O-CB 3.43Å; E552-Q556 VanDerWaalsContact O-CG 3.24Å; E552-Q556 WeakPolarHBondContact O-CG 3.3Å; E552-Q556 PolarHBondContact O-N 3.5Å; E552-Q556 PolarHBondContact OE1-NE2 3.28Å; E553-Q556 PolarHBondContact O-N 3.43Å; Q556-R560 WeakPolarHBondContact O-CG 3.36Å; Q556-R560 PolarHBondContact O-NE 3.37Å
557	K	94.7	Very high	93	Very high	117 Å²	117	77.7 Å²	77.7	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-67.2	-49.4	173.8	-177	179.6	176.8	-179	0	110.9	E553 L555 A559 R560 E561	E553-K557 WeakPolarHBondContact O-CB 3.27Å; E553-K557 PolarHBondContact O-N 3.19Å; L555-K557 VanDerWaalsContact C-N 3.34Å; L555-K557 PolarHBondContact O-N 2.85Å; K557-A559 VanDerWaalsContact C-N 3.25Å; K557-A559 PolarHBondContact O-N 2.98Å; K557-R560 PolarHBondContact O-N 2.56Å; K557-E561 WeakPolarHBondContact CE-OE1 3.5Å; K557-E561 WeakPolarHBondContact CE-OE2 3.32Å; K557-E561 PolarHBondContact O-N 2.87Å
558	A	94.4	Very high	93.4	Very high	9 Å²	9	76.1 Å²	76.1	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-58.8	-37.4	179.2	0	0	0	0	0	112.2	M554 L555 R560 E561 T562 M632 L636	M554-A558 WeakPolarHBondContact O-CB 3.43Å; M554-A558 PolarHBondContact O-N 3.09Å; L555-A558 PolarHBondContact O-N 2.72Å; A558-R560 PolarHBondContact O-N 2.71Å; A558-E561 PolarHBondContact O-N 2.74Å; A558-T562 WeakPolarHBondContact O-CB 3.48Å; A558-T562 PolarHBondContact O-N 2.9Å; A558-T562 PolarHBondContact O-OG1 3.13Å; A558-M632 HydrophobicContact CB-CE 4.32Å; A558-M632 HydrophobicContact CB-CG 3.61Å; A558-M632 HydrophobicContact CB-SD 3.66Å; A558-L636 HydrophobicContact CB-CD2 4.39Å
559	A	94.3	Very high	93.7	Very high	4 Å²	4	81.4 Å²	81.4	3%	0.033	39%	0.389	C	S	.	.	H	α-helix	trans	-59.3	-31.7	176.7	0	0	0	0	0	113.2	T176 L179 V180 L555 K557 L636	T176-A559 WeakPolarHBondContact CG2-O 3.38Å; L179-A559 HydrophobicContact CB-CB 4.03Å; L179-A559 HydrophobicContact CD1-CB 4.48Å; V180-A559 HydrophobicContact CG2-CB 4.27Å; L555-A559 WeakPolarHBondContact O-CB 3.26Å; L555-A559 PolarHBondContact O-N 3.34Å; K557-A559 VanDerWaalsContact C-N 3.25Å; K557-A559 PolarHBondContact O-N 2.98Å; A559-L636 HydrophobicContact CB-CD2 3.91Å
560	R	93.6	Very high	94.1	Very high	166 Å²	166	77.3 Å²	77.3	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-83	-27.7	179.7	-61	173.6	-146.7	162.8	5.3	113.2	V180 Q556 K557 A558	V180-R560 HydrophobicContact CG1-CG 4.26Å; V180-R560 HydrophobicContact CG2-CG 3.87Å; Q556-R560 WeakPolarHBondContact O-CG 3.36Å; Q556-R560 PolarHBondContact O-NE 3.37Å; K557-R560 PolarHBondContact O-N 2.56Å; A558-R560 PolarHBondContact O-N 2.71Å
561	E	94.7	Very high	94.5	Very high	140 Å²	140	76.8 Å²	76.8	65%	0.654	36%	0.362	S	S	*	.	H	α-helix	trans	-106	-25.5	-170.2	-65.2	175.4	-177.9	0	0	113.1	K557 A558	K557-E561 WeakPolarHBondContact CE-OE1 3.5Å; K557-E561 WeakPolarHBondContact CE-OE2 3.32Å; K557-E561 PolarHBondContact O-N 2.87Å; A558-E561 PolarHBondContact O-N 2.74Å
562	T	95.5	Very high	94.8	Very high	42 Å²	42	74.6 Å²	74.6	26%	0.258	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-100.2	121.2	-171.9	-50.5	0	0	0	0	111.1	A558 M632 W633 L636	A558-T562 WeakPolarHBondContact O-CB 3.48Å; A558-T562 PolarHBondContact O-N 2.9Å; A558-T562 PolarHBondContact O-OG1 3.13Å; T562-M632 HydrophobicContact CG2-CB 4.46Å; T562-M632 HydrophobicContact CG2-CG 4.45Å; T562-W633 HydrophobicContact CG2-CB 4.28Å; T562-L636 HydrophobicContact CG2-CD1 4.34Å
563	K	95.7	Very high	95.1	Very high	116 Å²	116	70.9 Å²	70.9	50%	0.504	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-73.3	133.6	170.2	-172.8	173.2	-179.1	177.4	0	110.6	D169	D169-K563 WeakPolarHBondContact OD1-CE 3.42Å; D169-K563 IonicContact OD1-NZ 3.79Å; D169-K563 PolarHBondContact OD1-NZ 2.74Å
564	I	97.8	Very high	95.4	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.015	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-80.1	123.8	178.9	-61.5	169.9	0	0	0	109.8	S172 L175 L179 L566 L636 L637	S172-I564 WeakPolarHBondContact CB-O 3.41Å; S172-I564 PolarHBondContact OG-N 3Å; S172-I564 PolarHBondContact OG-O 3.14Å; L175-I564 HydrophobicContact CB-CD1 3.61Å; L175-I564 HydrophobicContact CD1-CD1 4.45Å; L175-I564 HydrophobicContact CD1-CG2 4.26Å; L179-I564 HydrophobicContact CD1-CD1 4.15Å; I564-L566 HydrophobicContact CG2-CD2 4.1Å; I564-L566 HydrophobicContact CG2-CG 4.39Å; I564-L636 HydrophobicContact CD1-CB 4.17Å; I564-L636 HydrophobicContact CG1-CB 4.26Å; I564-L636 HydrophobicContact CG1-CD1 4.25Å; I564-L637 HydrophobicContact CG2-CD2 3.93Å; I564-L637 HydrophobicContact CG2-CG 4.07Å
565	L	97.2	Very high	95.6	Very high	72 Å²	72	59.2 Å²	59.2	38%	0.377	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-89.6	138.6	176.2	-52.2	-179.5	0	0	0	110.4	W633	L565-W633 HydrophobicContact CB-CG 4.25Å; L565-W633 HydrophobicContact CD1-CD2 4.14Å; L565-W633 HydrophobicContact CD1-CE3 4.42Å; L565-W633 HydrophobicContact CD1-CZ2 4.28Å; L565-W633 HydrophobicContact CG-CD2 4.31Å; L565-W633 HydrophobicContact CG-CG 4.26Å
566	L	97	Very high	95.8	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	28%	0.277	C	S	.	.			trans	-132.9	48.6	-175.9	-60.4	171.5	0	0	0	110.6	K168 V171 L175 I564 E571 W572 L637	K168-L566 WeakPolarHBondContact CE-O 3.42Å; K168-L566 PolarHBondContact NZ-O 2.96Å; V171-L566 HydrophobicContact CB-CD1 3.82Å; V171-L566 HydrophobicContact CG1-CD1 3.48Å; V171-L566 VanDerWaalsContact CG1-CD1 3.48Å; L175-L566 HydrophobicContact CD1-CD1 4.33Å; L175-L566 HydrophobicContact CD1-CD2 4.25Å; I564-L566 HydrophobicContact CG2-CD2 4.1Å; I564-L566 HydrophobicContact CG2-CG 4.39Å; L566-E571 HydrophobicContact CD2-CB 4.37Å; L566-W572 HydrophobicContact CB-CE3 3.98Å; L566-W572 HydrophobicContact CD1-CE3 4.04Å; L566-W572 HydrophobicContact CD1-CZ3 3.98Å; L566-L637 HydrophobicContact CD2-CD2 4.36Å
567	D	95.3	Very high	96	Very high	112 Å²	112	56.3 Å²	56.3	60%	0.599	26%	0.259	S	S	*	.			trans	-87.9	-33.5	-173.9	-68.2	-37.2	0	0	0	113	K168 E571	K168-D567 IonicContact NZ-OD1 3.84Å; K168-D567 PolarHBondContact NZ-OD1 2.81Å; D567-E571 PolarHBondContact N-OE2 2.86Å
568	H	96.8	Very high	96.2	Very high	79 Å²	79	50.8 Å²	50.8	37%	0.366	23%	0.234	S	C	.	.	S	Bend	trans	-78.6	141.7	177	-167.2	-93.8	0	0	0	111.3	K570 E571 W572 C615	H568-K570 PolarHBondContact ND1-N 3.42Å; H568-K570 VanDerWaalsContact ND1-N 3.2Å; H568-K570 PolarHBondContact O-N 3.48Å; H568-K570 VanDerWaalsContact O-N 3.14Å; H568-E571 HydrophobicContact CB-CB 4.26Å; H568-E571 HydrophobicContact CB-CG 3.97Å; H568-E571 WeakPolarHBondContact CB-OE2 3.43Å; H568-E571 PolarHBondContact N-OE2 3.49Å; H568-E571 VanDerWaalsContact N-OE2 3.11Å; H568-E571 WeakPolarHBondContact O-CB 3.37Å; H568-E571 PolarHBondContact O-N 3.45Å; H568-W572 PolarHBondContact O-N 3.27Å; H568-C615 VanDerWaalsContact CG-SG 3.53Å; H568-C615 PolarHBondContact ND1-SG 2.83Å
569	E	95.3	Very high	96.3	Very high	122 Å²	122	50.6 Å²	50.6	57%	0.57	23%	0.232	S	C	*	.	H	α-helix	trans	-53.5	-40	-179.2	-172.5	-163.8	155.3	0	0	112.5	W572 K573	E569-W572 PolarHBondContact O-N 3.17Å; E569-K573 WeakPolarHBondContact O-CB 3.35Å; E569-K573 PolarHBondContact O-N 3.16Å
570	K	96.3	Very high	96.4	Very high	52 Å²	52	52.6 Å²	52.6	23%	0.226	24%	0.239	C	C	.	.	H	α-helix	trans	-73.4	-32	178.9	-57.7	-57.8	-171.5	176.3	0	113.6	H568 L574 E610 F611	H568-K570 PolarHBondContact ND1-N 3.42Å; H568-K570 VanDerWaalsContact ND1-N 3.2Å; H568-K570 PolarHBondContact O-N 3.48Å; H568-K570 VanDerWaalsContact O-N 3.14Å; K570-L574 WeakPolarHBondContact O-CB 3.4Å; K570-L574 PolarHBondContact O-N 3.07Å; K570-E610 HydrophobicContact CD-CB 4.39Å; K570-E610 IonicContact NZ-OE2 3.85Å; K570-E610 PolarHBondContact NZ-OE2 3.23Å; K570-F611 HydrophobicContact CB-CB 4.49Å
571	E	97.4	Very high	96.7	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-66.3	-43.7	171	-69.9	167.7	165.1	0	0	110	L566 D567 H568 L574 G575 F611 R634 L637	L566-E571 HydrophobicContact CD2-CB 4.37Å; D567-E571 PolarHBondContact N-OE2 2.86Å; H568-E571 HydrophobicContact CB-CB 4.26Å; H568-E571 HydrophobicContact CB-CG 3.97Å; H568-E571 WeakPolarHBondContact CB-OE2 3.43Å; H568-E571 PolarHBondContact N-OE2 3.49Å; H568-E571 VanDerWaalsContact N-OE2 3.11Å; H568-E571 WeakPolarHBondContact O-CB 3.37Å; H568-E571 PolarHBondContact O-N 3.45Å; E571-L574 PolarHBondContact O-N 3.1Å; E571-G575 PolarHBondContact O-N 2.92Å; E571-F611 HydrophobicContact CG-CD2 3.8Å; E571-F611 HydrophobicContact CG-CE2 3.61Å; E571-R634 IonicContact OE1-CZ 2.95Å; E571-R634 IonicContact OE1-NE 3.82Å; E571-R634 PolarHBondContact OE1-NE 2.95Å; E571-R634 IonicContact OE1-NH2 3.87Å; E571-R634 PolarHBondContact OE1-NH2 3.28Å; E571-L637 HydrophobicContact CG-CD1 4.36Å
572	W	96.6	Very high	96.7	Very high	39 Å²	39	38.2 Å²	38.2	15%	0.148	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-46.3	175.8	-177.3	-115.6	0	0	0	112.5	D112 L166 K168 V171 L566 H568 E569 L574 G575 R576	D112-W572 PolarHBondContact OD1-NE1 3.26Å; D112-W572 WeakPolarHBondContact OD2-CZ2 3.33Å; L166-W572 HydrophobicContact CB-CH2 3.89Å; L166-W572 HydrophobicContact CB-CZ2 3.96Å; L166-W572 WeakPolarHBondContact O-CH2 3.4Å; K168-W572 HydrophobicContact CB-CZ3 4.27Å; K168-W572 HydrophobicContact CG-CE3 4.19Å; K168-W572 HydrophobicContact CG-CH2 4.24Å; K168-W572 HydrophobicContact CG-CZ3 3.77Å; V171-W572 HydrophobicContact CB-CH2 4.28Å; V171-W572 HydrophobicContact CB-CZ3 3.88Å; V171-W572 HydrophobicContact CG1-CZ3 4.16Å; V171-W572 HydrophobicContact CG2-CH2 3.61Å; V171-W572 HydrophobicContact CG2-CZ3 3.72Å; L566-W572 HydrophobicContact CB-CE3 3.98Å; L566-W572 HydrophobicContact CD1-CE3 4.04Å; L566-W572 HydrophobicContact CD1-CZ3 3.98Å; H568-W572 PolarHBondContact O-N 3.27Å; E569-W572 PolarHBondContact O-N 3.17Å; W572-L574 VanDerWaalsContact C-N 3.32Å; W572-L574 PolarHBondContact O-N 3.06Å; W572-G575 PolarHBondContact O-N 3.24Å; W572-R576 HydrophobicContact CD2-CG 4.31Å; W572-R576 HydrophobicContact CZ2-CG 4.26Å; W572-R576 WeakPolarHBondContact O-CG 3.49Å; W572-R576 PolarHBondContact O-N 3.23Å; W572-R576 VanDerWaalsContact O-N 3.12Å; W572-R576 PolarHBondContact O-NE 3.03Å
573	K	96.3	Very high	96.7	Very high	60 Å²	60	37 Å²	37	26%	0.261	17%	0.171	S	C	.	.	H	α-helix	trans	-58	-45.1	175.6	-173.5	-176.7	168	-175.2	0	111.3	E569 C577 T607 E610	E569-K573 WeakPolarHBondContact O-CB 3.35Å; E569-K573 PolarHBondContact O-N 3.16Å; K573-C577 WeakPolarHBondContact O-CB 3.47Å; K573-C577 PolarHBondContact O-N 3.36Å; K573-C577 VanDerWaalsContact O-N 3.14Å; K573-T607 HydrophobicContact CB-CG2 4.41Å; K573-T607 HydrophobicContact CD-CG2 4.09Å; K573-T607 HydrophobicContact CG-CG2 3.82Å; K573-E610 IonicContact NZ-OE1 3.84Å; K573-E610 PolarHBondContact NZ-OE1 3.34Å; K573-E610 IonicContact NZ-OE2 2.78Å; K573-E610 PolarHBondContact NZ-OE2 3.45Å
574	L	97.9	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-48.8	178.6	-177.8	61.9	0	0	0	112.2	K570 E571 W572 R576 C577 I578 L604 T607 F608 F611 L637 V641	K570-L574 WeakPolarHBondContact O-CB 3.4Å; K570-L574 PolarHBondContact O-N 3.07Å; E571-L574 PolarHBondContact O-N 3.1Å; W572-L574 VanDerWaalsContact C-N 3.32Å; W572-L574 PolarHBondContact O-N 3.06Å; L574-R576 VanDerWaalsContact C-N 3.29Å; L574-R576 PolarHBondContact O-N 3.43Å; L574-C577 WeakPolarHBondContact O-CB 3.43Å; L574-C577 PolarHBondContact O-N 3.41Å; L574-I578 HydrophobicContact CD1-CD1 4.43Å; L574-I578 HydrophobicContact CD1-CG1 4.38Å; L574-I578 HydrophobicContact CG-CD1 4.03Å; L574-I578 HydrophobicContact CG-CG1 4.45Å; L574-I578 WeakPolarHBondContact O-CG1 3.35Å; L574-I578 PolarHBondContact O-N 3.26Å; L574-L604 HydrophobicContact CD1-CD1 3.98Å; L574-T607 HydrophobicContact CB-CG2 4.11Å; L574-T607 HydrophobicContact CD1-CG2 4.02Å; L574-F608 HydrophobicContact CD1-CB 4.25Å; L574-F608 HydrophobicContact CD2-CD2 4.18Å; L574-F611 HydrophobicContact CB-CB 4.41Å; L574-F611 HydrophobicContact CD2-CB 3.92Å; L574-F611 HydrophobicContact CD2-CD1 3.49Å; L574-F611 VanDerWaalsContact CD2-CD1 3.49Å; L574-F611 HydrophobicContact CD2-CD2 4.35Å; L574-F611 HydrophobicContact CD2-CE1 4.07Å; L574-F611 HydrophobicContact CD2-CG 3.64Å; L574-L637 HydrophobicContact CD2-CB 4.4Å; L574-V641 HydrophobicContact CD1-CG2 3.8Å; L574-V641 HydrophobicContact CD2-CG2 4.15Å; L574-V641 HydrophobicContact CG-CG2 4.23Å
575	G	97.3	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-43.3	-179.8	0	0	0	0	0	112.6	E571 W572 L579	E571-G575 PolarHBondContact O-N 2.92Å; W572-G575 PolarHBondContact O-N 3.24Å; G575-L579 PolarHBondContact O-N 3.3Å
576	R	95.6	Very high	96.5	Very high	37 Å²	37	31.5 Å²	31.5	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-43.5	174.2	-66.5	-178	-58.8	142.4	11.3	112.7	D112 W572 L574 I578 L579 R580	D112-R576 VanDerWaalsContact CG-CD 3.45Å; D112-R576 WeakPolarHBondContact OD1-CD 3.47Å; D112-R576 IonicContact OD1-CZ 2.62Å; D112-R576 VanDerWaalsContact OD1-CZ 3.22Å; D112-R576 IonicContact OD1-NE 3.41Å; D112-R576 PolarHBondContact OD1-NE 2.8Å; D112-R576 IonicContact OD1-NH1 3.1Å; D112-R576 PolarHBondContact OD1-NH1 3.34Å; W572-R576 HydrophobicContact CD2-CG 4.31Å; W572-R576 HydrophobicContact CZ2-CG 4.26Å; W572-R576 WeakPolarHBondContact O-CG 3.49Å; W572-R576 PolarHBondContact O-N 3.23Å; W572-R576 VanDerWaalsContact O-N 3.12Å; W572-R576 PolarHBondContact O-NE 3.03Å; L574-R576 VanDerWaalsContact C-N 3.29Å; L574-R576 PolarHBondContact O-N 3.43Å; R576-I578 VanDerWaalsContact C-N 3.31Å; R576-I578 PolarHBondContact O-N 3.16Å; R576-L579 PolarHBondContact O-N 3.36Å; R576-R580 WeakPolarHBondContact O-CG 3.49Å; R576-R580 PolarHBondContact O-N 3.41Å; R576-R580 VanDerWaalsContact O-N 3.15Å
577	C	97.1	Very high	96.4	Very high	4 Å²	4	36.2 Å²	36.2	3%	0.027	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-41.5	179.2	-168.5	0	0	0	0	111.4	K573 L574 L579 R580 Y600 L604 T607	K573-C577 WeakPolarHBondContact O-CB 3.47Å; K573-C577 PolarHBondContact O-N 3.36Å; K573-C577 VanDerWaalsContact O-N 3.14Å; L574-C577 WeakPolarHBondContact O-CB 3.43Å; L574-C577 PolarHBondContact O-N 3.41Å; C577-L579 VanDerWaalsContact C-N 3.32Å; C577-L579 PolarHBondContact O-N 3.44Å; C577-R580 PolarHBondContact O-N 3.43Å; C577-Y600 WeakPolarHBondContact O-CE2 3.48Å; C577-Y600 PolarHBondContact O-OH 3.41Å; C577-L604 HydrophobicContact CB-CD1 4.24Å; C577-T607 HydrophobicContact CB-CG2 4.43Å
578	I	98.3	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.3	-45.7	175.4	-64.6	164.3	0	0	0	110.9	L175 L178 L574 R576 R580 F581 Y600 L604 L637 A640 V641 V644	L175-I578 HydrophobicContact CD2-CB 3.76Å; L175-I578 HydrophobicContact CD2-CD1 3.78Å; L175-I578 HydrophobicContact CD2-CG1 4.39Å; L175-I578 HydrophobicContact CD2-CG2 3.48Å; L175-I578 VanDerWaalsContact CD2-CG2 3.48Å; L178-I578 HydrophobicContact CD2-CG2 3.78Å; L574-I578 HydrophobicContact CD1-CD1 4.43Å; L574-I578 HydrophobicContact CD1-CG1 4.38Å; L574-I578 HydrophobicContact CG-CD1 4.03Å; L574-I578 HydrophobicContact CG-CG1 4.45Å; L574-I578 WeakPolarHBondContact O-CG1 3.35Å; L574-I578 PolarHBondContact O-N 3.26Å; R576-I578 VanDerWaalsContact C-N 3.31Å; R576-I578 PolarHBondContact O-N 3.16Å; I578-R580 VanDerWaalsContact C-N 3.29Å; I578-R580 PolarHBondContact O-N 3.08Å; I578-F581 PolarHBondContact O-N 3.36Å; I578-Y600 PolarHBondContact O-OH 3.25Å; I578-L604 HydrophobicContact CG1-CD1 3.83Å; I578-L637 HydrophobicContact CD1-CD2 4.24Å; I578-A640 HydrophobicContact CD1-CB 4.13Å; I578-A640 HydrophobicContact CG2-CB 4.41Å; I578-V641 HydrophobicContact CD1-CG2 3.71Å; I578-V641 HydrophobicContact CG1-CG2 3.89Å; I578-V644 HydrophobicContact CG2-CG2 3.95Å
579	L	97.1	Very high	96.5	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-78.1	-7.9	-177	-60.9	-176.5	0	0	0	114.7	M73 I76 V171 Q174 L175 L178 G575 R576 C577 F581 P582	M73-L579 HydrophobicContact CE-CD2 4.16Å; I76-L579 HydrophobicContact CD1-CB 3.72Å; I76-L579 HydrophobicContact CD1-CD1 4.11Å; V171-L579 HydrophobicContact CB-CD1 4.2Å; V171-L579 HydrophobicContact CG1-CD1 3.76Å; V171-L579 HydrophobicContact CG2-CD1 4.4Å; Q174-L579 HydrophobicContact CB-CD1 3.64Å; Q174-L579 HydrophobicContact CB-CD2 3.68Å; Q174-L579 HydrophobicContact CB-CG 4.33Å; Q174-L579 HydrophobicContact CG-CD1 4.34Å; L175-L579 HydrophobicContact CD2-CD2 4.03Å; L175-L579 HydrophobicContact CD2-CG 4.19Å; L175-L579 HydrophobicContact CG-CD2 4.38Å; L175-L579 HydrophobicContact CG-CG 4.47Å; L178-L579 HydrophobicContact CD2-CD2 4.06Å; G575-L579 PolarHBondContact O-N 3.3Å; R576-L579 PolarHBondContact O-N 3.36Å; C577-L579 VanDerWaalsContact C-N 3.32Å; C577-L579 PolarHBondContact O-N 3.44Å; L579-F581 PolarHBondContact O-N 3.27Å; L579-P582 WeakPolarHBondContact O-CD 3.44Å
580	R	96.6	Very high	96.5	Very high	46 Å²	46	26.2 Å²	26.2	17%	0.174	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.7	172.8	-75.8	177.2	65.6	-147.6	-8	113.3	R576 C577 I578 E583 I584 Y600 E603	R576-R580 WeakPolarHBondContact O-CG 3.49Å; R576-R580 PolarHBondContact O-N 3.41Å; R576-R580 VanDerWaalsContact O-N 3.15Å; C577-R580 PolarHBondContact O-N 3.43Å; I578-R580 VanDerWaalsContact C-N 3.29Å; I578-R580 PolarHBondContact O-N 3.08Å; R580-E583 WeakPolarHBondContact O-CB 3.34Å; R580-E583 PolarHBondContact O-N 3.23Å; R580-I584 WeakPolarHBondContact O-CG1 3.45Å; R580-I584 PolarHBondContact O-N 3.2Å; R580-I584 VanDerWaalsContact O-N 3.14Å; R580-Y600 HydrophobicContact CB-CE2 4.07Å; R580-E603 IonicContact CZ-OE2 3.22Å; R580-E603 VanDerWaalsContact NH1-CD 3.34Å; R580-E603 IonicContact NH1-OE1 3.83Å; R580-E603 PolarHBondContact NH1-OE1 2.72Å; R580-E603 IonicContact NH1-OE2 2.67Å; R580-E603 PolarHBondContact NH1-OE2 2.91Å; R580-E603 IonicContact NH2-OE2 3.26Å
581	F	97.9	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-51	-51.3	-176.7	-176.9	-123.2	0	0	0	113.7	M73 V183 F227 I578 L579 E583 I584 L585 L597 Y600 V644 K647 I651	M73-F581 HydrophobicContact CE-CB 4.47Å; M73-F581 HydrophobicContact SD-CD1 4.43Å; V183-F581 HydrophobicContact CG1-CD1 4.06Å; V183-F581 HydrophobicContact CG1-CE1 3.8Å; F227-F581 HydrophobicContact CE1-CE1 4.01Å; F227-F581 HydrophobicContact CE1-CZ 4.49Å; F227-F581 HydrophobicContact CZ-CE1 4.31Å; I578-F581 PolarHBondContact O-N 3.36Å; L579-F581 PolarHBondContact O-N 3.27Å; F581-E583 VanDerWaalsContact C-N 3.26Å; F581-E583 PolarHBondContact O-N 3.29Å; F581-I584 PolarHBondContact O-N 3.28Å; F581-L585 HydrophobicContact CD1-CD1 4.14Å; F581-L585 HydrophobicContact CD2-CD1 4.39Å; F581-L585 HydrophobicContact CD2-CG 4.29Å; F581-L585 HydrophobicContact CE1-CD1 3.68Å; F581-L585 HydrophobicContact CE2-CD1 3.98Å; F581-L585 HydrophobicContact CE2-CD2 4.06Å; F581-L585 HydrophobicContact CE2-CG 4.1Å; F581-L585 HydrophobicContact CG-CD1 4.49Å; F581-L585 HydrophobicContact CZ-CD1 3.62Å; F581-L585 HydrophobicContact CZ-CD2 4.38Å; F581-L585 HydrophobicContact CZ-CG 4.25Å; F581-L585 WeakPolarHBondContact O-CG 3.4Å; F581-L585 PolarHBondContact O-N 2.67Å; F581-L597 HydrophobicContact CD2-CD1 4.45Å; F581-L597 HydrophobicContact CE2-CD1 3.95Å; F581-Y600 HydrophobicContact CB-CE1 4Å; F581-Y600 WeakPolarHBondContact CB-OH 3.36Å; F581-Y600 HydrophobicContact CD2-CD1 4.04Å; F581-Y600 AromaticContact CD2-CE1 3.47Å; F581-Y600 HydrophobicContact CD2-CE1 3.47Å; F581-Y600 VanDerWaalsContact CD2-CE1 3.47Å; F581-Y600 HydrophobicContact CE2-CE1 4.36Å; F581-Y600 HydrophobicContact CG-CE1 4.18Å; F581-V644 HydrophobicContact CB-CG1 4Å; F581-V644 HydrophobicContact CD1-CG1 4.21Å; F581-V644 HydrophobicContact CD2-CG1 3.96Å; F581-V644 HydrophobicContact CE2-CG1 4.41Å; F581-V644 HydrophobicContact CG-CG1 3.82Å; F581-K647 HydrophobicContact CE1-CB 4.41Å; F581-K647 HydrophobicContact CZ-CB 4.31Å; F581-I651 HydrophobicContact CZ-CD1 4.01Å
582	P	96.1	Very high	96.5	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-30.6	178.6	-23.5	36.7	0	0	0	114.2	M73 N75 L185 L579 Q586	M73-P582 HydrophobicContact CB-CG 3.69Å; M73-P582 HydrophobicContact CE-CG 4.06Å; M73-P582 HydrophobicContact SD-CG 4.38Å; N75-P582 HydrophobicContact CB-CB 4.22Å; L185-P582 HydrophobicContact CD2-CB 3.56Å; L185-P582 HydrophobicContact CD2-CG 3.96Å; L579-P582 WeakPolarHBondContact O-CD 3.44Å; P582-Q586 WeakPolarHBondContact O-CB 3.4Å; P582-Q586 PolarHBondContact O-N 3.14Å
583	E	94.2	Very high	96.6	Very high	17 Å²	17	25.8 Å²	25.8	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-70.2	-41.4	179.6	-41.6	-173.4	147.1	0	0	111.5	I76 N77 Y113 R580 F581 Q586 K587	I76-E583 VanDerWaalsContact CB-OE1 3.27Å; I76-E583 WeakPolarHBondContact CB-OE1 3.26Å; I76-E583 PolarHBondContact N-OE1 3.47Å; N77-E583 HydrophobicContact CB-CG 4.28Å; N77-E583 WeakPolarHBondContact CB-OE1 3.32Å; N77-E583 PolarHBondContact N-OE1 3Å; Y113-E583 WeakPolarHBondContact CE1-OE1 3.23Å; Y113-E583 VanDerWaalsContact CZ-OE1 3.31Å; Y113-E583 PolarHBondContact OH-OE1 3.39Å; Y113-E583 PolarHBondContact OH-OE2 3.48Å; R580-E583 WeakPolarHBondContact O-CB 3.34Å; R580-E583 PolarHBondContact O-N 3.23Å; F581-E583 VanDerWaalsContact C-N 3.26Å; F581-E583 PolarHBondContact O-N 3.29Å; E583-Q586 PolarHBondContact O-N 2.87Å; E583-K587 PolarHBondContact O-N 2.93Å; E583-K587 VanDerWaalsContact O-N 3.08Å
584	I	96.9	Very high	96.7	Very high	21 Å²	21	23.3 Å²	23.3	11%	0.108	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-46.1	175.4	-60.6	-58.5	0	0	0	109.6	R580 F581 Q586 K587 I588 Y600	R580-I584 WeakPolarHBondContact O-CG1 3.45Å; R580-I584 PolarHBondContact O-N 3.2Å; R580-I584 VanDerWaalsContact O-N 3.14Å; F581-I584 PolarHBondContact O-N 3.28Å; I584-Q586 PolarHBondContact O-N 3.28Å; I584-K587 PolarHBondContact O-N 2.98Å; I584-I588 HydrophobicContact CG2-CD1 3.88Å; I584-I588 WeakPolarHBondContact O-CD1 3.44Å; I584-I588 VanDerWaalsContact O-CG1 3.25Å; I584-I588 WeakPolarHBondContact O-CG1 3.34Å; I584-I588 PolarHBondContact O-N 2.7Å; I584-I588 VanDerWaalsContact O-N 3.12Å; I584-Y600 HydrophobicContact CB-CG 4.43Å; I584-Y600 HydrophobicContact CG1-CD2 3.76Å; I584-Y600 HydrophobicContact CG1-CE2 4.44Å; I584-Y600 HydrophobicContact CG1-CG 3.91Å; I584-Y600 HydrophobicContact CG2-CG 4.36Å
585	L	96.9	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-41.1	177.8	-63.3	-172.4	0	0	0	112.4	L185 L224 F227 F581 K587 I588 L589 L597 I651	L185-L585 HydrophobicContact CD1-CB 4.39Å; L185-L585 HydrophobicContact CD1-CD1 3.79Å; L185-L585 HydrophobicContact CD2-CD1 4.4Å; L185-L585 HydrophobicContact CG-CD1 4.33Å; L224-L585 HydrophobicContact CD1-CB 4.27Å; L224-L585 HydrophobicContact CD1-CD2 3.86Å; L224-L585 HydrophobicContact CD1-CG 4.42Å; F227-L585 HydrophobicContact CD1-CD1 3.88Å; F227-L585 HydrophobicContact CE1-CD1 3.66Å; F581-L585 HydrophobicContact CD1-CD1 4.14Å; F581-L585 HydrophobicContact CD2-CD1 4.39Å; F581-L585 HydrophobicContact CD2-CG 4.29Å; F581-L585 HydrophobicContact CE1-CD1 3.68Å; F581-L585 HydrophobicContact CE2-CD1 3.98Å; F581-L585 HydrophobicContact CE2-CD2 4.06Å; F581-L585 HydrophobicContact CE2-CG 4.1Å; F581-L585 HydrophobicContact CG-CD1 4.49Å; F581-L585 HydrophobicContact CZ-CD1 3.62Å; F581-L585 HydrophobicContact CZ-CD2 4.38Å; F581-L585 HydrophobicContact CZ-CG 4.25Å; F581-L585 WeakPolarHBondContact O-CG 3.4Å; F581-L585 PolarHBondContact O-N 2.67Å; L585-K587 PolarHBondContact O-N 3.34Å; L585-I588 PolarHBondContact O-N 2.84Å; L585-I588 VanDerWaalsContact O-N 3.14Å; L585-L589 WeakPolarHBondContact O-CG 3.24Å; L585-L589 PolarHBondContact O-N 3.47Å; L585-L597 HydrophobicContact CD2-CD1 3.97Å; L585-L597 HydrophobicContact CD2-CD2 4.21Å; L585-I651 HydrophobicContact CD1-CD1 3.92Å; L585-I651 HydrophobicContact CD2-CD1 3.97Å
586	Q	94.6	Very high	96.8	Very high	53 Å²	53	26 Å²	26	25%	0.248	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-46	176	-178.8	58	51.5	0	0	111.7	N75 P582 E583 I584 I588 L589 D590	N75-Q586 WeakPolarHBondContact ND2-CB 3.16Å; P582-Q586 WeakPolarHBondContact O-CB 3.4Å; P582-Q586 PolarHBondContact O-N 3.14Å; E583-Q586 PolarHBondContact O-N 2.87Å; I584-Q586 PolarHBondContact O-N 3.28Å; Q586-I588 PolarHBondContact O-N 3.41Å; Q586-L589 WeakPolarHBondContact O-CB 3.47Å; Q586-L589 PolarHBondContact O-N 2.94Å; Q586-D590 PolarHBondContact NE2-OD1 3.37Å; Q586-D590 PolarHBondContact NE2-OD2 3.01Å; Q586-D590 PolarHBondContact O-N 3.48Å; Q586-D590 VanDerWaalsContact O-N 3.16Å
587	K	94.9	Very high	96.9	Very high	105 Å²	105	24.2 Å²	24.2	46%	0.457	12%	0.116	S	C	.	.	H	α-helix	trans	-56.5	-41.2	175.9	-177.6	-174.6	172.8	-169.4	0	111.6	E583 I584 L585 D590 D591	E583-K587 PolarHBondContact O-N 2.93Å; E583-K587 VanDerWaalsContact O-N 3.08Å; I584-K587 PolarHBondContact O-N 2.98Å; L585-K587 PolarHBondContact O-N 3.34Å; K587-D590 WeakPolarHBondContact O-CB 3.33Å; K587-D590 PolarHBondContact O-N 2.91Å; K587-D591 WeakPolarHBondContact CE-OD2 3.34Å; K587-D591 VanDerWaalsContact O-CG 3.23Å; K587-D591 PolarHBondContact O-N 3.15Å
588	I	97.8	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-72.3	-35.2	-179.7	-59.6	163	0	0	0	111.7	L224 I584 L585 Q586 D590 D591 L592 L594 T596 L597	L224-I588 HydrophobicContact CD2-CB 4.06Å; L224-I588 HydrophobicContact CD2-CG2 3.47Å; L224-I588 VanDerWaalsContact CD2-CG2 3.47Å; I584-I588 HydrophobicContact CG2-CD1 3.88Å; I584-I588 WeakPolarHBondContact O-CD1 3.44Å; I584-I588 VanDerWaalsContact O-CG1 3.25Å; I584-I588 WeakPolarHBondContact O-CG1 3.34Å; I584-I588 PolarHBondContact O-N 2.7Å; I584-I588 VanDerWaalsContact O-N 3.12Å; L585-I588 PolarHBondContact O-N 2.84Å; L585-I588 VanDerWaalsContact O-N 3.14Å; Q586-I588 PolarHBondContact O-N 3.41Å; I588-D590 PolarHBondContact O-N 3.25Å; I588-D591 WeakPolarHBondContact CA-OD1 3.34Å; I588-L592 WeakPolarHBondContact O-CA 3.37Å; I588-L592 PolarHBondContact O-N 3.31Å; I588-L594 HydrophobicContact CG2-CD2 3.99Å; I588-L594 HydrophobicContact CG2-CG 4.48Å; I588-T596 VanDerWaalsContact CG1-OG1 3.26Å; I588-T596 WeakPolarHBondContact CG1-OG1 3.49Å; I588-L597 HydrophobicContact CD1-CB 3.55Å
589	L	96.3	Very high	97	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-32.1	171.2	-71.2	168.7	0	0	0	111.1	L224 F225 A228 R435 L585 Q586	L224-L589 HydrophobicContact CD1-CD2 4.46Å; L224-L589 HydrophobicContact CD2-CD2 4.07Å; L224-L589 HydrophobicContact CD2-CG 4.37Å; L224-L589 HydrophobicContact CG-CD2 3.86Å; L224-L589 HydrophobicContact CG-CG 4.39Å; F225-L589 HydrophobicContact CD1-CD2 3.91Å; F225-L589 HydrophobicContact CD2-CD2 4.22Å; F225-L589 HydrophobicContact CE1-CD2 3.78Å; F225-L589 HydrophobicContact CE2-CD2 4.08Å; F225-L589 HydrophobicContact CG-CD2 4.14Å; F225-L589 HydrophobicContact CZ-CD2 3.86Å; A228-L589 HydrophobicContact CB-CD1 3.92Å; A228-L589 HydrophobicContact CB-CD2 4.14Å; R435-L589 PolarHBondContact NH1-O 3.42Å; L585-L589 WeakPolarHBondContact O-CG 3.24Å; L585-L589 PolarHBondContact O-N 3.47Å; Q586-L589 WeakPolarHBondContact O-CB 3.47Å; Q586-L589 PolarHBondContact O-N 2.94Å
590	D	93.9	Very high	97.1	Very high	93 Å²	93	27.3 Å²	27.3	50%	0.497	13%	0.133	S	C	.	.	H	α-helix	trans	-81.1	-48.4	178.7	-62	-34.6	0	0	0	112.6	R435 Q586 K587 I588	R435-D590 VanDerWaalsContact CZ-O 3.22Å; R435-D590 PolarHBondContact NH1-O 3.4Å; R435-D590 PolarHBondContact NH2-O 2.98Å; Q586-D590 PolarHBondContact NE2-OD1 3.37Å; Q586-D590 PolarHBondContact NE2-OD2 3.01Å; Q586-D590 PolarHBondContact O-N 3.48Å; Q586-D590 VanDerWaalsContact O-N 3.16Å; K587-D590 WeakPolarHBondContact O-CB 3.33Å; K587-D590 PolarHBondContact O-N 2.91Å; I588-D590 PolarHBondContact O-N 3.25Å
591	D	96.9	Very high	97.2	Very high	41 Å²	41	25.1 Å²	25.1	22%	0.219	12%	0.124	C	C	.	.	H	α-helix	trans	-102.7	-12.7	-171.3	72	14.7	0	0	0	115.5	R512 K587 I588 F593	R512-D591 PolarHBondContact NH2-O 2.85Å; K587-D591 WeakPolarHBondContact CE-OD2 3.34Å; K587-D591 VanDerWaalsContact O-CG 3.23Å; K587-D591 PolarHBondContact O-N 3.15Å; I588-D591 WeakPolarHBondContact CA-OD1 3.34Å; D591-F593 HydrophobicContact CB-CD2 3.71Å; D591-F593 HydrophobicContact CB-CE2 4.31Å; D591-F593 WeakPolarHBondContact O-CD2 3.44Å; D591-F593 PolarHBondContact O-N 3.37Å; D591-F593 WeakPolarHBondContact OD1-CB 3.42Å; D591-F593 PolarHBondContact OD1-N 3.43Å
592	L	98.2	Very high	97.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.137	C	C	.	.			trans	56.9	32.4	-176.7	-53.6	176.2	0	0	0	113.5	I221 F225 I405 F437 R512 I588	I221-L592 HydrophobicContact CG2-CD2 4.5Å; F225-L592 HydrophobicContact CE2-CD2 3.66Å; F225-L592 HydrophobicContact CZ-CD2 4Å; I405-L592 HydrophobicContact CD1-CD1 3.95Å; I405-L592 HydrophobicContact CD1-CD2 4.12Å; I405-L592 HydrophobicContact CG1-CD1 4.24Å; I405-L592 HydrophobicContact CG2-CD1 4.02Å; F437-L592 HydrophobicContact CD1-CD1 3.52Å; F437-L592 HydrophobicContact CE1-CD1 3.83Å; F437-L592 HydrophobicContact CG-CD1 4.23Å; R512-L592 PolarHBondContact NE-O 2.8Å; I588-L592 WeakPolarHBondContact O-CA 3.37Å; I588-L592 PolarHBondContact O-N 3.31Å
593	F	98.4	Very high	97.2	Very high	43 Å²	43	31.4 Å²	31.4	19%	0.189	15%	0.151	C	C	.	.			trans	-103	87.3	177.6	-74.4	-62.5	0	0	0	112.8	N511 R512 L513 D591 H595 T596	N511-F593 WeakPolarHBondContact OD1-CE1 3.33Å; R512-F593 HydrophobicContact CG-CD1 3.95Å; R512-F593 HydrophobicContact CG-CE1 3.98Å; L513-F593 HydrophobicContact CD1-CE1 3.77Å; L513-F593 HydrophobicContact CD1-CZ 3.6Å; L513-F593 HydrophobicContact CG-CE1 3.89Å; L513-F593 HydrophobicContact CG-CZ 4.22Å; D591-F593 HydrophobicContact CB-CD2 3.71Å; D591-F593 HydrophobicContact CB-CE2 4.31Å; D591-F593 WeakPolarHBondContact O-CD2 3.44Å; D591-F593 PolarHBondContact O-N 3.37Å; D591-F593 WeakPolarHBondContact OD1-CB 3.42Å; D591-F593 PolarHBondContact OD1-N 3.43Å; F593-H595 AromaticContact CD1-CE1 3.99Å; F593-H595 AromaticContact CG-CE1 3.92Å; F593-H595 PolarHBondContact O-N 3.22Å; F593-H595 VanDerWaalsContact O-N 3.15Å; F593-T596 PolarHBondContact O-N 3.26Å; F593-T596 PolarHBondContact O-OG1 3.3Å
594	L	98.5	Very high	97.4	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	-178.2	-69.4	167.8	0	0	0	115.2	I217 S220 I221 L508 I588 T596 L597 C598	I217-L594 HydrophobicContact CG2-CD1 4.4Å; S220-L594 WeakPolarHBondContact OG-CD1 3.14Å; I221-L594 HydrophobicContact CG1-CD1 3.97Å; I221-L594 HydrophobicContact CG1-CG 4.46Å; L508-L594 HydrophobicContact CD2-CB 4.26Å; L508-L594 HydrophobicContact CD2-CD1 3.65Å; I588-L594 HydrophobicContact CG2-CD2 3.99Å; I588-L594 HydrophobicContact CG2-CG 4.48Å; L594-T596 PolarHBondContact O-N 3.41Å; L594-T596 VanDerWaalsContact O-N 3.12Å; L594-L597 VanDerWaalsContact O-CB 3.32Å; L594-L597 WeakPolarHBondContact O-CB 3.45Å; L594-L597 PolarHBondContact O-N 3.19Å; L594-C598 PolarHBondContact O-N 3.18Å
595	H	98.4	Very high	97.5	Very high	38 Å²	38	29.6 Å²	29.6	18%	0.176	14%	0.142	C	C	.	.	H	α-helix	trans	-57.8	-29.4	178.4	71	-85	0	0	0	113.4	L508 F593 L597 C598 D599	L508-H595 WeakPolarHBondContact O-CA 3.42Å; L508-H595 VanDerWaalsContact O-CB 3.25Å; L508-H595 WeakPolarHBondContact O-CB 3.49Å; L508-H595 PolarHBondContact O-N 3.22Å; F593-H595 AromaticContact CD1-CE1 3.99Å; F593-H595 AromaticContact CG-CE1 3.92Å; F593-H595 PolarHBondContact O-N 3.22Å; F593-H595 VanDerWaalsContact O-N 3.15Å; H595-L597 VanDerWaalsContact C-N 3.27Å; H595-L597 PolarHBondContact O-N 2.97Å; H595-C598 WeakPolarHBondContact O-CB 3.5Å; H595-C598 PolarHBondContact O-N 3.33Å; H595-C598 VanDerWaalsContact O-N 3.17Å; H595-D599 IonicContact CD2-OD2 2.8Å; H595-D599 PolarHBondContact O-N 3.41Å
596	T	97.9	Very high	97.4	Very high	18 Å²	18	31.6 Å²	31.6	11%	0.11	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-24.5	176.9	62.6	0	0	0	0	112.9	I588 F593 L594 Y600	I588-T596 VanDerWaalsContact CG1-OG1 3.26Å; I588-T596 WeakPolarHBondContact CG1-OG1 3.49Å; F593-T596 PolarHBondContact O-N 3.26Å; F593-T596 PolarHBondContact O-OG1 3.3Å; L594-T596 PolarHBondContact O-N 3.41Å; L594-T596 VanDerWaalsContact O-N 3.12Å; T596-Y600 WeakPolarHBondContact O-CB 3.42Å; T596-Y600 PolarHBondContact O-N 2.87Å; T596-Y600 VanDerWaalsContact O-N 3.07Å
597	L	98.6	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.1	-43.1	169	178.4	57.7	0	0	0	110.6	F581 L585 I588 L594 H595 D599 Y600 I601 I651 L652	F581-L597 HydrophobicContact CD2-CD1 4.45Å; F581-L597 HydrophobicContact CE2-CD1 3.95Å; L585-L597 HydrophobicContact CD2-CD1 3.97Å; L585-L597 HydrophobicContact CD2-CD2 4.21Å; I588-L597 HydrophobicContact CD1-CB 3.55Å; L594-L597 VanDerWaalsContact O-CB 3.32Å; L594-L597 WeakPolarHBondContact O-CB 3.45Å; L594-L597 PolarHBondContact O-N 3.19Å; H595-L597 VanDerWaalsContact C-N 3.27Å; H595-L597 PolarHBondContact O-N 2.97Å; L597-D599 VanDerWaalsContact C-N 3.35Å; L597-D599 PolarHBondContact O-N 3.28Å; L597-Y600 HydrophobicContact CD1-CD1 4.18Å; L597-Y600 WeakPolarHBondContact O-CB 3.49Å; L597-Y600 PolarHBondContact O-N 3.37Å; L597-I601 HydrophobicContact CD1-CD1 4.24Å; L597-I601 HydrophobicContact CD1-CG1 3.97Å; L597-I601 HydrophobicContact CG-CG1 4.33Å; L597-I601 VanDerWaalsContact O-CG1 3.29Å; L597-I601 WeakPolarHBondContact O-CG1 3.32Å; L597-I601 PolarHBondContact O-N 2.85Å; L597-I651 HydrophobicContact CD2-CB 4.17Å; L597-I651 HydrophobicContact CD2-CG2 3.71Å; L597-L652 HydrophobicContact CD2-CD2 3.83Å; L597-L652 HydrophobicContact CD2-CG 3.91Å; L597-L652 HydrophobicContact CG-CD1 4.45Å; L597-L652 HydrophobicContact CG-CD2 4.25Å; L597-L652 HydrophobicContact CG-CG 4.36Å
598	C	98.6	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-48.5	174.5	-64.9	0	0	0	0	111.2	Y505 L594 H595 Y600 I601 Y602	Y505-C598 HydrophobicContact CE1-CB 4.47Å; Y505-C598 HydrophobicContact CE2-CB 3.74Å; Y505-C598 WeakPolarHBondContact OH-CB 3.44Å; Y505-C598 PolarHBondContact OH-O 3.34Å; L594-C598 PolarHBondContact O-N 3.18Å; H595-C598 WeakPolarHBondContact O-CB 3.5Å; H595-C598 PolarHBondContact O-N 3.33Å; H595-C598 VanDerWaalsContact O-N 3.17Å; C598-Y600 VanDerWaalsContact C-N 3.28Å; C598-Y600 PolarHBondContact O-N 3.41Å; C598-I601 PolarHBondContact O-N 3.26Å; C598-Y602 WeakPolarHBondContact O-CB 3.37Å; C598-Y602 PolarHBondContact O-N 3Å
599	D	98.3	Very high	97.6	Very high	73 Å²	73	26.5 Å²	26.5	39%	0.39	14%	0.135	S	C	.	.	H	α-helix	trans	-56.6	-42.9	175.6	-69	-24.9	0	0	0	111.7	H595 L597 Y602 E603	H595-D599 IonicContact CD2-OD2 2.8Å; H595-D599 PolarHBondContact O-N 3.41Å; L597-D599 VanDerWaalsContact C-N 3.35Å; L597-D599 PolarHBondContact O-N 3.28Å; D599-Y602 PolarHBondContact O-N 3.43Å; D599-E603 WeakPolarHBondContact O-CB 3.25Å; D599-E603 PolarHBondContact O-N 3.09Å
600	Y	98.4	Very high	97.6	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-47.4	176.8	169.1	-100	0	0	0	113.2	C577 I578 R580 F581 I584 T596 L597 C598 Y602 E603 L604 V644	C577-Y600 WeakPolarHBondContact O-CE2 3.48Å; C577-Y600 PolarHBondContact O-OH 3.41Å; I578-Y600 PolarHBondContact O-OH 3.25Å; R580-Y600 HydrophobicContact CB-CE2 4.07Å; F581-Y600 HydrophobicContact CB-CE1 4Å; F581-Y600 WeakPolarHBondContact CB-OH 3.36Å; F581-Y600 HydrophobicContact CD2-CD1 4.04Å; F581-Y600 AromaticContact CD2-CE1 3.47Å; F581-Y600 HydrophobicContact CD2-CE1 3.47Å; F581-Y600 VanDerWaalsContact CD2-CE1 3.47Å; F581-Y600 HydrophobicContact CE2-CE1 4.36Å; F581-Y600 HydrophobicContact CG-CE1 4.18Å; I584-Y600 HydrophobicContact CB-CG 4.43Å; I584-Y600 HydrophobicContact CG1-CD2 3.76Å; I584-Y600 HydrophobicContact CG1-CE2 4.44Å; I584-Y600 HydrophobicContact CG1-CG 3.91Å; I584-Y600 HydrophobicContact CG2-CG 4.36Å; T596-Y600 WeakPolarHBondContact O-CB 3.42Å; T596-Y600 PolarHBondContact O-N 2.87Å; T596-Y600 VanDerWaalsContact O-N 3.07Å; L597-Y600 HydrophobicContact CD1-CD1 4.18Å; L597-Y600 WeakPolarHBondContact O-CB 3.49Å; L597-Y600 PolarHBondContact O-N 3.37Å; C598-Y600 VanDerWaalsContact C-N 3.28Å; C598-Y600 PolarHBondContact O-N 3.41Å; Y600-Y602 PolarHBondContact O-N 3.47Å; Y600-E603 WeakPolarHBondContact O-CB 3.42Å; Y600-E603 PolarHBondContact O-N 3.18Å; Y600-E603 VanDerWaalsContact O-N 3.15Å; Y600-L604 HydrophobicContact CE1-CD2 4.41Å; Y600-L604 WeakPolarHBondContact O-CB 2.82Å; Y600-L604 PolarHBondContact O-N 3.32Å; Y600-V644 HydrophobicContact CE1-CG1 4.14Å
601	I	98.6	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-35.1	-179.5	-62.5	-65.5	0	0	0	110.3	L534 L597 C598 A605 M645 F649	L534-I601 HydrophobicContact CD1-CG2 4.12Å; L534-I601 HydrophobicContact CD2-CG2 4.25Å; L597-I601 HydrophobicContact CD1-CD1 4.24Å; L597-I601 HydrophobicContact CD1-CG1 3.97Å; L597-I601 HydrophobicContact CG-CG1 4.33Å; L597-I601 VanDerWaalsContact O-CG1 3.29Å; L597-I601 WeakPolarHBondContact O-CG1 3.32Å; L597-I601 PolarHBondContact O-N 2.85Å; C598-I601 PolarHBondContact O-N 3.26Å; I601-A605 PolarHBondContact O-N 3.3Å; I601-A605 VanDerWaalsContact O-N 3.11Å; I601-M645 HydrophobicContact CG2-CE 4.24Å; I601-M645 HydrophobicContact CG2-CG 4.45Å; I601-F649 HydrophobicContact CG2-CE1 3.9Å; I601-F649 HydrophobicContact CG2-CZ 4.48Å
602	Y	98.3	Very high	97.7	Very high	69 Å²	69	26.3 Å²	26.3	27%	0.271	13%	0.127	S	C	.	.	H	α-helix	trans	-68.7	-42.5	171.3	-172.7	-105.8	0	0	0	113	G528 N529 Y533 L534 C598 D599 Y600 L604 A605 T606	G528-Y602 VanDerWaalsContact O-CE2 3.27Å; G528-Y602 WeakPolarHBondContact O-CE2 3.2Å; N529-Y602 HydrophobicContact CB-CD1 4.27Å; N529-Y602 HydrophobicContact CB-CD2 4.01Å; N529-Y602 HydrophobicContact CB-CE1 4.37Å; N529-Y602 HydrophobicContact CB-CE2 4.13Å; N529-Y602 HydrophobicContact CB-CG 4.1Å; N529-Y602 WeakPolarHBondContact OD1-CB 3.43Å; Y533-Y602 AromaticContact CD1-CD2 3.93Å; Y533-Y602 HydrophobicContact CD1-CD2 3.93Å; Y533-Y602 AromaticContact CD1-CE2 3.64Å; Y533-Y602 HydrophobicContact CD1-CE2 3.64Å; Y533-Y602 AromaticContact CE1-CD2 3.88Å; Y533-Y602 HydrophobicContact CE1-CD2 3.88Å; Y533-Y602 AromaticContact CE1-CE2 3.54Å; Y533-Y602 HydrophobicContact CE1-CE2 3.54Å; L534-Y602 HydrophobicContact CD2-CD2 4.19Å; C598-Y602 WeakPolarHBondContact O-CB 3.37Å; C598-Y602 PolarHBondContact O-N 3Å; D599-Y602 PolarHBondContact O-N 3.43Å; Y600-Y602 PolarHBondContact O-N 3.47Å; Y602-L604 VanDerWaalsContact C-N 3.27Å; Y602-L604 PolarHBondContact O-N 3.28Å; Y602-A605 PolarHBondContact O-N 2.91Å; Y602-T606 HydrophobicContact CD1-CG2 4.21Å; Y602-T606 HydrophobicContact CE1-CG2 3.78Å; Y602-T606 HydrophobicContact CE2-CG2 4.1Å; Y602-T606 WeakPolarHBondContact O-CG2 3.15Å; Y602-T606 PolarHBondContact O-N 3.07Å; Y602-T606 PolarHBondContact O-OG1 3.49Å
603	E	97.5	Very high	97.6	Very high	67 Å²	67	31.3 Å²	31.3	31%	0.313	15%	0.154	S	C	.	.	H	α-helix	trans	-57.3	-41.9	173.3	-171.6	-170	161.8	0	0	111	R580 D599 Y600 T606 T607	R580-E603 IonicContact CZ-OE2 3.22Å; R580-E603 VanDerWaalsContact NH1-CD 3.34Å; R580-E603 IonicContact NH1-OE1 3.83Å; R580-E603 PolarHBondContact NH1-OE1 2.72Å; R580-E603 IonicContact NH1-OE2 2.67Å; R580-E603 PolarHBondContact NH1-OE2 2.91Å; R580-E603 IonicContact NH2-OE2 3.26Å; D599-E603 WeakPolarHBondContact O-CB 3.25Å; D599-E603 PolarHBondContact O-N 3.09Å; Y600-E603 WeakPolarHBondContact O-CB 3.42Å; Y600-E603 PolarHBondContact O-N 3.18Å; Y600-E603 VanDerWaalsContact O-N 3.15Å; E603-T606 WeakPolarHBondContact CA-OG1 3.38Å; E603-T606 PolarHBondContact O-OG1 3.33Å; E603-T607 VanDerWaalsContact O-CB 3.22Å; E603-T607 WeakPolarHBondContact O-CB 3.09Å; E603-T607 PolarHBondContact O-N 3.46Å; E603-T607 PolarHBondContact O-OG1 3.36Å
604	L	98.2	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.1	-45.7	178.9	-176.9	61.3	0	0	0	111.6	L574 C577 I578 Y600 Y602 T607 F608 V641 V644 M645	L574-L604 HydrophobicContact CD1-CD1 3.98Å; C577-L604 HydrophobicContact CB-CD1 4.24Å; I578-L604 HydrophobicContact CG1-CD1 3.83Å; Y600-L604 HydrophobicContact CE1-CD2 4.41Å; Y600-L604 WeakPolarHBondContact O-CB 2.82Å; Y600-L604 PolarHBondContact O-N 3.32Å; Y602-L604 VanDerWaalsContact C-N 3.27Å; Y602-L604 PolarHBondContact O-N 3.28Å; L604-T607 PolarHBondContact O-N 2.96Å; L604-F608 WeakPolarHBondContact O-CB 3.48Å; L604-F608 PolarHBondContact O-N 3.3Å; L604-V641 HydrophobicContact CD1-CG1 4.43Å; L604-V641 HydrophobicContact CD1-CG2 4.24Å; L604-V641 HydrophobicContact CD2-CG1 4.19Å; L604-V641 HydrophobicContact CG-CG1 4.03Å; L604-V644 HydrophobicContact CD2-CB 4.25Å; L604-V644 HydrophobicContact CD2-CG1 3.82Å; L604-M645 HydrophobicContact CD2-CG 3.9Å
605	A	97.5	Very high	97.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.3	-39.5	178.4	0	0	0	0	0	113	Y533 L534 A537 I601 Y602 F608 T609 M645	Y533-A605 HydrophobicContact CE1-CB 4.11Å; L534-A605 HydrophobicContact CD2-CB 3.77Å; A537-A605 HydrophobicContact CB-CB 4.43Å; I601-A605 PolarHBondContact O-N 3.3Å; I601-A605 VanDerWaalsContact O-N 3.11Å; Y602-A605 PolarHBondContact O-N 2.91Å; A605-F608 PolarHBondContact O-N 3.48Å; A605-T609 PolarHBondContact O-N 3.39Å; A605-T609 VanDerWaalsContact O-N 3.12Å; A605-T609 PolarHBondContact O-OG1 2.65Å; A605-T609 VanDerWaalsContact O-OG1 3.08Å; A605-M645 HydrophobicContact CB-CE 4.27Å
606	T	95.9	Very high	97.1	Very high	41 Å²	41	37.8 Å²	37.8	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-69.6	-43.1	176.6	50.7	0	0	0	0	111.3	Y602 E603 F608 T609 E610	Y602-T606 HydrophobicContact CD1-CG2 4.21Å; Y602-T606 HydrophobicContact CE1-CG2 3.78Å; Y602-T606 HydrophobicContact CE2-CG2 4.1Å; Y602-T606 WeakPolarHBondContact O-CG2 3.15Å; Y602-T606 PolarHBondContact O-N 3.07Å; Y602-T606 PolarHBondContact O-OG1 3.49Å; E603-T606 WeakPolarHBondContact CA-OG1 3.38Å; E603-T606 PolarHBondContact O-OG1 3.33Å; T606-F608 VanDerWaalsContact C-N 3.31Å; T606-F608 PolarHBondContact O-N 2.86Å; T606-T609 WeakPolarHBondContact O-CB 3.44Å; T606-T609 PolarHBondContact O-N 3.23Å; T606-T609 VanDerWaalsContact O-N 3.14Å; T606-E610 PolarHBondContact O-N 3.37Å; T606-E610 VanDerWaalsContact O-N 3.14Å
607	T	96.8	Very high	96.8	Very high	3 Å²	3	37 Å²	37	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-37.1	174.2	-59.2	0	0	0	0	111.9	K573 L574 C577 E603 L604 T609 E610 F611	K573-T607 HydrophobicContact CB-CG2 4.41Å; K573-T607 HydrophobicContact CD-CG2 4.09Å; K573-T607 HydrophobicContact CG-CG2 3.82Å; L574-T607 HydrophobicContact CB-CG2 4.11Å; L574-T607 HydrophobicContact CD1-CG2 4.02Å; C577-T607 HydrophobicContact CB-CG2 4.43Å; E603-T607 VanDerWaalsContact O-CB 3.22Å; E603-T607 WeakPolarHBondContact O-CB 3.09Å; E603-T607 PolarHBondContact O-N 3.46Å; E603-T607 PolarHBondContact O-OG1 3.36Å; L604-T607 PolarHBondContact O-N 2.96Å; T607-T609 VanDerWaalsContact C-N 3.33Å; T607-T609 PolarHBondContact O-N 2.77Å; T607-E610 PolarHBondContact O-N 2.85Å; T607-F611 PolarHBondContact O-N 3.4Å; T607-F611 VanDerWaalsContact O-N 3.09Å
608	F	98	Very high	96.5	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-41.4	173.6	174.2	-92.4	0	0	0	111.8	I541 I544 L574 L604 A605 T606 F611 Y612 C638 V641	I541-F608 HydrophobicContact CB-CZ 4.41Å; I541-F608 HydrophobicContact CD1-CD1 3.91Å; I541-F608 HydrophobicContact CD1-CD2 4.47Å; I541-F608 HydrophobicContact CD1-CE1 4.19Å; I541-F608 HydrophobicContact CD1-CG 4.08Å; I541-F608 HydrophobicContact CG1-CD1 3.66Å; I541-F608 HydrophobicContact CG1-CD2 4.37Å; I541-F608 HydrophobicContact CG1-CE1 3.41Å; I541-F608 VanDerWaalsContact CG1-CE1 3.41Å; I541-F608 HydrophobicContact CG1-CE2 4.13Å; I541-F608 HydrophobicContact CG1-CG 4.15Å; I541-F608 HydrophobicContact CG1-CZ 3.67Å; I541-F608 HydrophobicContact CG2-CE2 4.36Å; I541-F608 HydrophobicContact CG2-CZ 4.34Å; I544-F608 HydrophobicContact CD1-CE1 4.32Å; I544-F608 HydrophobicContact CD1-CZ 3.65Å; L574-F608 HydrophobicContact CD1-CB 4.25Å; L574-F608 HydrophobicContact CD2-CD2 4.18Å; L604-F608 WeakPolarHBondContact O-CB 3.48Å; L604-F608 PolarHBondContact O-N 3.3Å; A605-F608 PolarHBondContact O-N 3.48Å; T606-F608 VanDerWaalsContact C-N 3.31Å; T606-F608 PolarHBondContact O-N 2.86Å; F608-F611 HydrophobicContact CD2-CD1 4.06Å; F608-F611 HydrophobicContact CE2-CD1 4.04Å; F608-F611 HydrophobicContact CE2-CE1 4.14Å; F608-F611 WeakPolarHBondContact O-CB 3.37Å; F608-F611 PolarHBondContact O-N 2.84Å; F608-Y612 HydrophobicContact CE1-CD2 4.45Å; F608-Y612 HydrophobicContact CE1-CG 4.29Å; F608-Y612 HydrophobicContact CZ-CD2 4.03Å; F608-Y612 HydrophobicContact CZ-CG 4.29Å; F608-Y612 WeakPolarHBondContact O-CB 3.42Å; F608-Y612 PolarHBondContact O-N 2.85Å; F608-C638 HydrophobicContact CE2-CB 4.32Å; F608-V641 HydrophobicContact CB-CG1 4.42Å; F608-V641 HydrophobicContact CD2-CB 4.41Å; F608-V641 HydrophobicContact CD2-CG1 4.33Å; F608-V641 HydrophobicContact CD2-CG2 4.09Å; F608-V641 HydrophobicContact CG-CG1 4.49Å
609	T	96.2	Very high	96.1	Very high	43 Å²	43	41.5 Å²	41.5	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-45.1	178.7	-59.5	0	0	0	0	110.9	A605 T606 T607 F611 Y612 D613	A605-T609 PolarHBondContact O-N 3.39Å; A605-T609 VanDerWaalsContact O-N 3.12Å; A605-T609 PolarHBondContact O-OG1 2.65Å; A605-T609 VanDerWaalsContact O-OG1 3.08Å; T606-T609 WeakPolarHBondContact O-CB 3.44Å; T606-T609 PolarHBondContact O-N 3.23Å; T606-T609 VanDerWaalsContact O-N 3.14Å; T607-T609 VanDerWaalsContact C-N 3.33Å; T607-T609 PolarHBondContact O-N 2.77Å; T609-F611 VanDerWaalsContact C-N 3.28Å; T609-F611 PolarHBondContact O-N 3.34Å; T609-Y612 PolarHBondContact O-N 3.22Å; T609-D613 WeakPolarHBondContact O-CB 3.42Å; T609-D613 VanDerWaalsContact O-CG 3.32Å; T609-D613 PolarHBondContact O-N 3.03Å
610	E	96.1	Very high	95.6	Very high	65 Å²	65	43.3 Å²	43.3	30%	0.304	21%	0.208	S	C	.	.	H	α-helix	trans	-56.7	-41.7	173.9	-69.2	-178.6	-152.1	0	0	112.4	K570 K573 T606 T607 S614	K570-E610 HydrophobicContact CD-CB 4.39Å; K570-E610 IonicContact NZ-OE2 3.85Å; K570-E610 PolarHBondContact NZ-OE2 3.23Å; K573-E610 IonicContact NZ-OE1 3.84Å; K573-E610 PolarHBondContact NZ-OE1 3.34Å; K573-E610 IonicContact NZ-OE2 2.78Å; K573-E610 PolarHBondContact NZ-OE2 3.45Å; T606-E610 PolarHBondContact O-N 3.37Å; T606-E610 VanDerWaalsContact O-N 3.14Å; T607-E610 PolarHBondContact O-N 2.85Å; E610-S614 WeakPolarHBondContact O-CB 3.45Å; E610-S614 PolarHBondContact O-N 3.21Å; E610-S614 PolarHBondContact O-OG 3.04Å
611	F	97.8	Very high	94.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-52	176	155.6	-103.7	0	0	0	111.5	K570 E571 L574 T607 F608 T609 D613 S614 C615 R634 L637	K570-F611 HydrophobicContact CB-CB 4.49Å; E571-F611 HydrophobicContact CG-CD2 3.8Å; E571-F611 HydrophobicContact CG-CE2 3.61Å; L574-F611 HydrophobicContact CB-CB 4.41Å; L574-F611 HydrophobicContact CD2-CB 3.92Å; L574-F611 HydrophobicContact CD2-CD1 3.49Å; L574-F611 VanDerWaalsContact CD2-CD1 3.49Å; L574-F611 HydrophobicContact CD2-CD2 4.35Å; L574-F611 HydrophobicContact CD2-CE1 4.07Å; L574-F611 HydrophobicContact CD2-CG 3.64Å; T607-F611 PolarHBondContact O-N 3.4Å; T607-F611 VanDerWaalsContact O-N 3.09Å; F608-F611 HydrophobicContact CD2-CD1 4.06Å; F608-F611 HydrophobicContact CE2-CD1 4.04Å; F608-F611 HydrophobicContact CE2-CE1 4.14Å; F608-F611 WeakPolarHBondContact O-CB 3.37Å; F608-F611 PolarHBondContact O-N 2.84Å; T609-F611 VanDerWaalsContact C-N 3.28Å; T609-F611 PolarHBondContact O-N 3.34Å; F611-D613 VanDerWaalsContact C-N 3.28Å; F611-D613 PolarHBondContact O-N 3.47Å; F611-S614 PolarHBondContact O-N 3.39Å; F611-S614 VanDerWaalsContact O-N 3.07Å; F611-C615 HydrophobicContact CD2-CB 3.77Å; F611-C615 HydrophobicContact CE2-CB 3.59Å; F611-C615 HydrophobicContact CZ-CB 4.47Å; F611-C615 WeakPolarHBondContact O-CB 3.25Å; F611-C615 PolarHBondContact O-N 2.78Å; F611-R634 HydrophobicContact CE2-CG 4.2Å; F611-R634 HydrophobicContact CZ-CB 3.98Å; F611-R634 HydrophobicContact CZ-CG 3.99Å; F611-L637 HydrophobicContact CE2-CD1 4.05Å; F611-L637 HydrophobicContact CZ-CB 4.44Å; F611-L637 HydrophobicContact CZ-CD1 4.02Å
612	Y	96.1	Very high	94	Very high	74 Å²	74	57.3 Å²	57.3	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-36	-174	-173.7	-98.7	0	0	0	112.3	I544 F608 T609 S614 C617	I544-Y612 HydrophobicContact CD1-CD2 3.64Å; I544-Y612 HydrophobicContact CD1-CE2 3.3Å; I544-Y612 HydrophobicContact CG1-CE2 3.77Å; I544-Y612 HydrophobicContact CG2-CE2 4.35Å; F608-Y612 HydrophobicContact CE1-CD2 4.45Å; F608-Y612 HydrophobicContact CE1-CG 4.29Å; F608-Y612 HydrophobicContact CZ-CD2 4.03Å; F608-Y612 HydrophobicContact CZ-CG 4.29Å; F608-Y612 WeakPolarHBondContact O-CB 3.42Å; F608-Y612 PolarHBondContact O-N 2.85Å; T609-Y612 PolarHBondContact O-N 3.22Å; Y612-S614 VanDerWaalsContact C-N 3.34Å; Y612-C617 HydrophobicContact CE2-CB 4.3Å
613	D	95.2	Very high	93.1	Very high	107 Å²	107	62.9 Å²	62.9	57%	0.572	29%	0.293	S	S	*	.	H	α-helix	trans	-73.4	-27.2	177.6	-67.5	-14.6	0	0	0	112.4	T609 F611	T609-D613 WeakPolarHBondContact O-CB 3.42Å; T609-D613 VanDerWaalsContact O-CG 3.32Å; T609-D613 PolarHBondContact O-N 3.03Å; F611-D613 VanDerWaalsContact C-N 3.28Å; F611-D613 PolarHBondContact O-N 3.47Å
614	S	96.1	Very high	92.4	Very high	60 Å²	60	64.1 Å²	64.1	42%	0.42	31%	0.305	S	S	.	.	H	α-helix	trans	-95.3	-25.2	-177.3	-53.9	0	0	0	0	113.8	E610 F611 Y612	E610-S614 WeakPolarHBondContact O-CB 3.45Å; E610-S614 PolarHBondContact O-N 3.21Å; E610-S614 PolarHBondContact O-OG 3.04Å; F611-S614 PolarHBondContact O-N 3.39Å; F611-S614 VanDerWaalsContact O-N 3.07Å; Y612-S614 VanDerWaalsContact C-N 3.34Å
615	C	95.3	Very high	91.4	Very high	3 Å²	3	66.3 Å²	66.3	2%	0.02	33%	0.328	C	S	.	.	S	Bend	trans	-131.8	103.7	-169	-70.4	0	0	0	0	110.9	H568 F611 C617	H568-C615 VanDerWaalsContact CG-SG 3.53Å; H568-C615 PolarHBondContact ND1-SG 2.83Å; F611-C615 HydrophobicContact CD2-CB 3.77Å; F611-C615 HydrophobicContact CE2-CB 3.59Å; F611-C615 HydrophobicContact CZ-CB 4.47Å; F611-C615 WeakPolarHBondContact O-CB 3.25Å; F611-C615 PolarHBondContact O-N 2.78Å; C615-C617 PolarHBondContact O-N 2.91Å; C615-C617 VanDerWaalsContact O-N 3.16Å
616	Y	93.8	Very high	90.8	Very high	161 Å²	161	73.6 Å²	73.6	63%	0.631	36%	0.36	S	S	*	.			trans	-59.7	119.4	-179.5	-67.2	-71.3	0	0	0	112.3	E619 N631 R634	Y616-E619 HydrophobicContact CG-CG 4.45Å; Y616-N631 PolarHBondContact O-ND2 3.37Å; Y616-R634 VanDerWaalsContact O-CD 3.25Å; Y616-R634 WeakPolarHBondContact O-CD 3.38Å; Y616-R634 PolarHBondContact O-NH1 3.31Å
617	C	92.9	Very high	90.3	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.014	36%	0.364	C	S	.	.	S	Bend	trans	-79.3	-43.3	171.7	-63.9	0	0	0	0	111.3	I544 Y612 C615 N631 R634 M635	I544-C617 HydrophobicContact CG2-CB 4.17Å; Y612-C617 HydrophobicContact CE2-CB 4.3Å; C615-C617 PolarHBondContact O-N 2.91Å; C615-C617 VanDerWaalsContact O-N 3.16Å; C617-N631 PolarHBondContact O-N 3.49Å; C617-R634 HydrophobicContact CB-CB 4.45Å; C617-M635 HydrophobicContact CB-SD 3.87Å
618	V	92.3	Very high	89.8	Confident	27 Å²	27	80.3 Å²	80.3	16%	0.164	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.2	177.2	-176.5	0	0	0	0	107.9	A548 K620 I627 K629 V630 M635	A548-V618 HydrophobicContact CB-CG2 3.91Å; V618-K620 HydrophobicContact CG1-CG 4.19Å; V618-I627 HydrophobicContact CG1-CB 4.4Å; V618-I627 HydrophobicContact CG1-CD1 4.39Å; V618-I627 HydrophobicContact CG1-CG1 3.97Å; V618-I627 HydrophobicContact CG1-CG2 3.77Å; V618-K629 WeakPolarHBondContact CA-O 3.34Å; V618-V630 HydrophobicContact CG1-CG2 4.45Å; V618-M635 HydrophobicContact CG2-CE 3.91Å; V618-M635 HydrophobicContact CG2-SD 4.1Å
619	E	89.1	Confident	89.4	Confident	67 Å²	67	84.9 Å²	84.9	31%	0.313	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.4	174.7	-63.1	166.3	-145.8	0	0	108	Y616 L628 K629 N631	Y616-E619 HydrophobicContact CG-CG 4.45Å; E619-L628 PolarHBondContact O-N 3.19Å; E619-K629 HydrophobicContact CB-CB 4.13Å; E619-K629 PolarHBondContact N-O 3.46Å; E619-K629 PolarHBondContact O-N 3.03Å; E619-N631 PolarHBondContact OE1-ND2 3.16Å; E619-N631 VanDerWaalsContact OE1-ND2 3.14Å
620	K	87.5	Confident	89.2	Confident	112 Å²	112	85.1 Å²	85.1	49%	0.487	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.7	-179.8	-65.9	-177.5	177	-174	0	110.2	V618 R622 K626 I627	V618-K620 HydrophobicContact CG1-CG 4.19Å; K620-R622 PolarHBondContact O-N 2.67Å; K620-K626 CarbonylContact C-O 3.48Å; K620-K626 VanDerWaalsContact CA-O 3.25Å; K620-K626 WeakPolarHBondContact CA-O 3.38Å; K620-I627 HydrophobicContact CG-CG1 4.33Å
621	D	83.8	Confident	89.2	Confident	49 Å²	49	82.1 Å²	82.1	26%	0.262	40%	0.4	S	S	.	.			trans	-64.8	130.2	170.9	179.5	-97.7	0	0	0	110.1	Q623 T624 G625 K626 L628	D621-Q623 VanDerWaalsContact C-N 3.28Å; D621-Q623 PolarHBondContact O-N 3.12Å; D621-Q623 PolarHBondContact OD1-N 3.44Å; D621-T624 VanDerWaalsContact CB-OG1 3.32Å; D621-T624 WeakPolarHBondContact CB-OG1 3.46Å; D621-T624 VanDerWaalsContact CG-OG1 3.31Å; D621-T624 WeakPolarHBondContact OD1-CB 3.28Å; D621-T624 PolarHBondContact OD1-N 3.37Å; D621-T624 PolarHBondContact OD1-OG1 2.86Å; D621-G625 VanDerWaalsContact O-CA 3.27Å; D621-G625 WeakPolarHBondContact O-CA 3.48Å; D621-G625 PolarHBondContact O-N 2.93Å; D621-K626 PolarHBondContact N-O 2.83Å; D621-L628 HydrophobicContact CB-CD1 3.85Å; D621-L628 HydrophobicContact CB-CD2 4.08Å; D621-L628 HydrophobicContact CB-CG 3.9Å
622	R	81	Confident	89	Confident	247 Å²	247	84.3 Å²	84.3	93%	0.932	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.7	-171.1	-165.1	173.8	179.7	173.9	0.3	113.2	K620	K620-R622 PolarHBondContact O-N 2.67Å
623	Q	78.8	Confident	89.1	Confident	187 Å²	187	83.6 Å²	83.6	87%	0.874	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-39.8	-177.3	-64.9	-177.2	-4.8	0	0	112.1	D621	D621-Q623 VanDerWaalsContact C-N 3.28Å; D621-Q623 PolarHBondContact O-N 3.12Å; D621-Q623 PolarHBondContact OD1-N 3.44Å
624	T	81.6	Confident	89.2	Confident	92 Å²	92	80.3 Å²	80.3	56%	0.564	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-15.2	-173.4	63.4	0	0	0	0	113.6	D621 K626	D621-T624 VanDerWaalsContact CB-OG1 3.32Å; D621-T624 WeakPolarHBondContact CB-OG1 3.46Å; D621-T624 VanDerWaalsContact CG-OG1 3.31Å; D621-T624 WeakPolarHBondContact OD1-CB 3.28Å; D621-T624 PolarHBondContact OD1-N 3.37Å; D621-T624 PolarHBondContact OD1-OG1 2.86Å; T624-K626 PolarHBondContact O-N 3.43Å; T624-K626 VanDerWaalsContact O-N 3.15Å
625	G	78.8	Confident	89.2	Confident	46 Å²	46	77.7 Å²	77.7	47%	0.474	37%	0.368	S	S	.	.			trans	68.4	4.4	-176.5	0	0	0	0	0	114.4	D621	D621-G625 VanDerWaalsContact O-CA 3.27Å; D621-G625 WeakPolarHBondContact O-CA 3.48Å; D621-G625 PolarHBondContact O-N 2.93Å
626	K	84.6	Confident	89.3	Confident	154 Å²	154	77.6 Å²	77.6	67%	0.67	37%	0.367	S	S	*	.			trans	-69.8	143.8	177.8	-76.8	-172.5	174.2	-177.3	0	110.8	K620 D621 T624 L628	K620-K626 CarbonylContact C-O 3.48Å; K620-K626 VanDerWaalsContact CA-O 3.25Å; K620-K626 WeakPolarHBondContact CA-O 3.38Å; D621-K626 PolarHBondContact N-O 2.83Å; T624-K626 PolarHBondContact O-N 3.43Å; T624-K626 VanDerWaalsContact O-N 3.15Å; K626-L628 PolarHBondContact O-N 3.29Å
627	I	85.5	Confident	89.5	Confident	66 Å²	66	69.9 Å²	69.9	34%	0.338	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120	175.9	-61.9	170	0	0	0	108.5	V618 K620 V630	V618-I627 HydrophobicContact CG1-CB 4.4Å; V618-I627 HydrophobicContact CG1-CD1 4.39Å; V618-I627 HydrophobicContact CG1-CG1 3.97Å; V618-I627 HydrophobicContact CG1-CG2 3.77Å; K620-I627 HydrophobicContact CG-CG1 4.33Å; I627-V630 HydrophobicContact CG2-CG2 3.69Å
628	L	85	Confident	89.7	Confident	118 Å²	118	70 Å²	70	62%	0.618	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	-41.4	176.4	-68.2	175.5	0	0	0	111.1	E619 D621 K626	E619-L628 PolarHBondContact O-N 3.19Å; D621-L628 HydrophobicContact CB-CD1 3.85Å; D621-L628 HydrophobicContact CB-CD2 4.08Å; D621-L628 HydrophobicContact CB-CG 3.9Å; K626-L628 PolarHBondContact O-N 3.29Å
629	K	90.3	Very high	90	Very high	102 Å²	102	70.6 Å²	70.6	44%	0.443	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142.2	-175.1	-168.8	-178.3	176.3	-162.4	0	111	V618 E619 N631	V618-K629 WeakPolarHBondContact CA-O 3.34Å; E619-K629 HydrophobicContact CB-CB 4.13Å; E619-K629 PolarHBondContact N-O 3.46Å; E619-K629 PolarHBondContact O-N 3.03Å; K629-N631 WeakPolarHBondContact CE-OD1 3.5Å; K629-N631 PolarHBondContact NZ-OD1 3.2Å
630	V	92.6	Very high	90.4	Very high	49 Å²	49	67.4 Å²	67.4	30%	0.297	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.5	171.7	178	0	0	0	0	107.6	I550 V618 I627 M632 M635	I550-V630 HydrophobicContact CD1-CG1 3.79Å; V618-V630 HydrophobicContact CG1-CG2 4.45Å; I627-V630 HydrophobicContact CG2-CG2 3.69Å; V630-M632 PolarHBondContact O-N 3.29Å; V630-M635 HydrophobicContact CG1-CE 4.31Å; V630-M635 HydrophobicContact CG1-CG 3.76Å; V630-M635 HydrophobicContact CG1-SD 4.42Å
631	N	94.7	Very high	90.9	Very high	2 Å²	2	62 Å²	62	1%	0.011	30%	0.301	C	S	.	.			trans	-87.4	91.7	176.8	-65.7	-51.4	0	0	0	108.3	Y616 C617 E619 K629 W633 R634 M635	Y616-N631 PolarHBondContact O-ND2 3.37Å; C617-N631 PolarHBondContact O-N 3.49Å; E619-N631 PolarHBondContact OE1-ND2 3.16Å; E619-N631 VanDerWaalsContact OE1-ND2 3.14Å; K629-N631 WeakPolarHBondContact CE-OD1 3.5Å; K629-N631 PolarHBondContact NZ-OD1 3.2Å; N631-W633 VanDerWaalsContact C-N 3.33Å; N631-W633 HydrophobicContact CB-CE3 4.46Å; N631-W633 HydrophobicContact CB-CH2 3.93Å; N631-W633 HydrophobicContact CB-CZ2 4Å; N631-W633 HydrophobicContact CB-CZ3 4.18Å; N631-W633 PolarHBondContact O-N 3.11Å; N631-W633 WeakPolarHBondContact OD1-CH2 3.39Å; N631-R634 HydrophobicContact CB-CB 4.21Å; N631-R634 HydrophobicContact CB-CG 4.2Å; N631-R634 WeakPolarHBondContact O-CB 3.33Å; N631-R634 PolarHBondContact O-N 2.82Å; N631-M635 PolarHBondContact O-N 2.97Å; N631-M635 VanDerWaalsContact O-N 3.15Å
632	M	95.1	Very high	91.6	Very high	45 Å²	45	59.8 Å²	59.8	22%	0.222	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-39.9	-169.4	-171.6	57.5	73	0	0	113.5	I550 A558 T562 V630 R634 M635 L636	I550-M632 HydrophobicContact CD1-CE 4.18Å; A558-M632 HydrophobicContact CB-CE 4.32Å; A558-M632 HydrophobicContact CB-CG 3.61Å; A558-M632 HydrophobicContact CB-SD 3.66Å; T562-M632 HydrophobicContact CG2-CB 4.46Å; T562-M632 HydrophobicContact CG2-CG 4.45Å; V630-M632 PolarHBondContact O-N 3.29Å; M632-R634 PolarHBondContact O-N 3.37Å; M632-M635 WeakPolarHBondContact O-CA 3.4Å; M632-M635 WeakPolarHBondContact O-CB 3.42Å; M632-M635 PolarHBondContact O-N 3.47Å; M632-M635 HydrophobicContact SD-CB 4.2Å; M632-L636 WeakPolarHBondContact O-CG 3.45Å; M632-L636 PolarHBondContact O-N 3.19Å
633	W	96.6	Very high	92.4	Very high	59 Å²	59	49.2 Å²	49.2	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-31.1	177	68.3	94.2	0	0	0	113.4	T562 L565 N631 L636 L637	T562-W633 HydrophobicContact CG2-CB 4.28Å; L565-W633 HydrophobicContact CB-CG 4.25Å; L565-W633 HydrophobicContact CD1-CD2 4.14Å; L565-W633 HydrophobicContact CD1-CE3 4.42Å; L565-W633 HydrophobicContact CD1-CZ2 4.28Å; L565-W633 HydrophobicContact CG-CD2 4.31Å; L565-W633 HydrophobicContact CG-CG 4.26Å; N631-W633 VanDerWaalsContact C-N 3.33Å; N631-W633 HydrophobicContact CB-CE3 4.46Å; N631-W633 HydrophobicContact CB-CH2 3.93Å; N631-W633 HydrophobicContact CB-CZ2 4Å; N631-W633 HydrophobicContact CB-CZ3 4.18Å; N631-W633 PolarHBondContact O-N 3.11Å; N631-W633 WeakPolarHBondContact OD1-CH2 3.39Å; W633-L636 PolarHBondContact O-N 3.44Å; W633-L637 PolarHBondContact O-N 3Å; W633-L637 VanDerWaalsContact O-N 3.13Å
634	R	97.4	Very high	93.3	Very high	39 Å²	39	40.3 Å²	40.3	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-74.2	-33.5	173.6	-69.5	-178.6	176.8	161.6	-0.9	111.8	E571 F611 Y616 C617 N631 M632 L636 L637 C638	E571-R634 IonicContact OE1-CZ 2.95Å; E571-R634 IonicContact OE1-NE 3.82Å; E571-R634 PolarHBondContact OE1-NE 2.95Å; E571-R634 IonicContact OE1-NH2 3.87Å; E571-R634 PolarHBondContact OE1-NH2 3.28Å; F611-R634 HydrophobicContact CE2-CG 4.2Å; F611-R634 HydrophobicContact CZ-CB 3.98Å; F611-R634 HydrophobicContact CZ-CG 3.99Å; Y616-R634 VanDerWaalsContact O-CD 3.25Å; Y616-R634 WeakPolarHBondContact O-CD 3.38Å; Y616-R634 PolarHBondContact O-NH1 3.31Å; C617-R634 HydrophobicContact CB-CB 4.45Å; N631-R634 HydrophobicContact CB-CB 4.21Å; N631-R634 HydrophobicContact CB-CG 4.2Å; N631-R634 WeakPolarHBondContact O-CB 3.33Å; N631-R634 PolarHBondContact O-N 2.82Å; M632-R634 PolarHBondContact O-N 3.37Å; R634-L636 VanDerWaalsContact C-N 3.28Å; R634-L637 WeakPolarHBondContact O-CB 3.38Å; R634-L637 PolarHBondContact O-N 2.97Å; R634-C638 PolarHBondContact O-N 3.25Å; R634-C638 PolarHBondContact O-SG 3.11Å; R634-C638 VanDerWaalsContact O-SG 3.37Å
635	M	96.4	Very high	94.1	Very high	4 Å²	4	36 Å²	36	2%	0.02	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-38.4	171.7	-56.8	-59.8	-95.8	0	0	110.7	I544 A545 A548 I550 L555 C617 V618 V630 N631 M632 L637 C638 E639	I544-M635 HydrophobicContact CG2-CE 3.87Å; I544-M635 HydrophobicContact CG2-SD 3.76Å; A545-M635 HydrophobicContact CB-CE 4.47Å; A548-M635 HydrophobicContact CB-CE 3.53Å; I550-M635 HydrophobicContact CD1-CE 3.43Å; I550-M635 VanDerWaalsContact CD1-CE 3.43Å; I550-M635 HydrophobicContact CD1-CG 4.12Å; I550-M635 HydrophobicContact CG1-CE 4.46Å; L555-M635 HydrophobicContact CD2-CB 4.45Å; C617-M635 HydrophobicContact CB-SD 3.87Å; V618-M635 HydrophobicContact CG2-CE 3.91Å; V618-M635 HydrophobicContact CG2-SD 4.1Å; V630-M635 HydrophobicContact CG1-CE 4.31Å; V630-M635 HydrophobicContact CG1-CG 3.76Å; V630-M635 HydrophobicContact CG1-SD 4.42Å; N631-M635 PolarHBondContact O-N 2.97Å; N631-M635 VanDerWaalsContact O-N 3.15Å; M632-M635 WeakPolarHBondContact O-CA 3.4Å; M632-M635 WeakPolarHBondContact O-CB 3.42Å; M632-M635 PolarHBondContact O-N 3.47Å; M632-M635 HydrophobicContact SD-CB 4.2Å; M635-L637 VanDerWaalsContact C-N 3.33Å; M635-L637 PolarHBondContact O-N 3.1Å; M635-C638 WeakPolarHBondContact O-CB 3.24Å; M635-C638 PolarHBondContact O-N 3.37Å; M635-E639 PolarHBondContact O-N 2.88Å
636	L	97.6	Very high	95	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64.9	-34.3	172.9	-63.2	-179.8	0	0	0	112.6	L179 A558 A559 T562 I564 M632 W633 R634 E639 A640	L179-L636 HydrophobicContact CD1-CB 3.86Å; L179-L636 HydrophobicContact CD1-CD2 4.26Å; L179-L636 HydrophobicContact CD1-CG 4.48Å; A558-L636 HydrophobicContact CB-CD2 4.39Å; A559-L636 HydrophobicContact CB-CD2 3.91Å; T562-L636 HydrophobicContact CG2-CD1 4.34Å; I564-L636 HydrophobicContact CD1-CB 4.17Å; I564-L636 HydrophobicContact CG1-CB 4.26Å; I564-L636 HydrophobicContact CG1-CD1 4.25Å; M632-L636 WeakPolarHBondContact O-CG 3.45Å; M632-L636 PolarHBondContact O-N 3.19Å; W633-L636 PolarHBondContact O-N 3.44Å; R634-L636 VanDerWaalsContact C-N 3.28Å; L636-E639 PolarHBondContact O-N 2.75Å; L636-A640 WeakPolarHBondContact O-CB 3.35Å; L636-A640 PolarHBondContact O-N 3.38Å
637	L	98.2	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.8	-43.9	170.3	-71.5	172.9	0	0	0	111.8	L175 I564 L566 E571 L574 I578 F611 W633 R634 M635 E639 A640 V641	L175-L637 HydrophobicContact CD1-CD2 3.88Å; I564-L637 HydrophobicContact CG2-CD2 3.93Å; I564-L637 HydrophobicContact CG2-CG 4.07Å; L566-L637 HydrophobicContact CD2-CD2 4.36Å; E571-L637 HydrophobicContact CG-CD1 4.36Å; L574-L637 HydrophobicContact CD2-CB 4.4Å; I578-L637 HydrophobicContact CD1-CD2 4.24Å; F611-L637 HydrophobicContact CE2-CD1 4.05Å; F611-L637 HydrophobicContact CZ-CB 4.44Å; F611-L637 HydrophobicContact CZ-CD1 4.02Å; W633-L637 PolarHBondContact O-N 3Å; W633-L637 VanDerWaalsContact O-N 3.13Å; R634-L637 WeakPolarHBondContact O-CB 3.38Å; R634-L637 PolarHBondContact O-N 2.97Å; M635-L637 VanDerWaalsContact C-N 3.33Å; M635-L637 PolarHBondContact O-N 3.1Å; L637-E639 VanDerWaalsContact C-N 3.29Å; L637-E639 PolarHBondContact O-N 3.02Å; L637-A640 PolarHBondContact O-N 3.22Å; L637-V641 VanDerWaalsContact O-CG2 3.31Å; L637-V641 WeakPolarHBondContact O-CG2 3.44Å; L637-V641 PolarHBondContact O-N 3.04Å
638	C	97.9	Very high	96.3	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.034	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-43.1	173.3	-61.6	0	0	0	0	111.3	I541 F608 R634 M635 V641 A642	I541-C638 HydrophobicContact CG2-CB 4.09Å; I541-C638 WeakPolarHBondContact CG2-O 3.34Å; F608-C638 HydrophobicContact CE2-CB 4.32Å; R634-C638 PolarHBondContact O-N 3.25Å; R634-C638 PolarHBondContact O-SG 3.11Å; R634-C638 VanDerWaalsContact O-SG 3.37Å; M635-C638 WeakPolarHBondContact O-CB 3.24Å; M635-C638 PolarHBondContact O-N 3.37Å; C638-V641 PolarHBondContact O-N 3.39Å; C638-A642 PolarHBondContact O-N 3.23Å; C638-A642 VanDerWaalsContact O-N 3.08Å
639	E	97.1	Very high	96.9	Very high	38 Å²	38	22.9 Å²	22.9	18%	0.178	11%	0.114	C	C	.	.	H	α-helix	trans	-63.6	-43.3	178.4	-167.4	60	-146.7	0	0	111.8	L179 R542 M635 L636 L637 A642 A643	L179-E639 HydrophobicContact CD2-CB 3.85Å; L179-E639 HydrophobicContact CD2-CG 3.66Å; R542-E639 IonicContact CZ-OE1 3.08Å; R542-E639 IonicContact CZ-OE2 2.71Å; R542-E639 IonicContact NH1-OE1 3.47Å; R542-E639 PolarHBondContact NH1-OE1 3.49Å; R542-E639 IonicContact NH1-OE2 2.97Å; R542-E639 PolarHBondContact NH1-OE2 3.32Å; R542-E639 PolarHBondContact NH2-O 3.45Å; R542-E639 IonicContact NH2-OE1 3.59Å; R542-E639 PolarHBondContact NH2-OE1 3Å; R542-E639 IonicContact NH2-OE2 2.83Å; R542-E639 PolarHBondContact NH2-OE2 2.91Å; M635-E639 PolarHBondContact O-N 2.88Å; L636-E639 PolarHBondContact O-N 2.75Å; L637-E639 VanDerWaalsContact C-N 3.29Å; L637-E639 PolarHBondContact O-N 3.02Å; E639-A642 PolarHBondContact O-N 3.44Å; E639-A643 WeakPolarHBondContact O-CB 3.43Å; E639-A643 PolarHBondContact O-N 3.23Å
640	A	98.1	Very high	97.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-44.4	179.2	0	0	0	0	0	111.6	L178 L179 I578 L636 L637 A643 V644	L178-A640 HydrophobicContact CD1-CB 3.87Å; L179-A640 HydrophobicContact CD1-CB 4.44Å; L179-A640 HydrophobicContact CD2-CB 4.03Å; L179-A640 HydrophobicContact CG-CB 4.26Å; I578-A640 HydrophobicContact CD1-CB 4.13Å; I578-A640 HydrophobicContact CG2-CB 4.41Å; L636-A640 WeakPolarHBondContact O-CB 3.35Å; L636-A640 PolarHBondContact O-N 3.38Å; L637-A640 PolarHBondContact O-N 3.22Å; A640-A643 PolarHBondContact O-N 2.99Å; A640-V644 WeakPolarHBondContact O-CG2 3.43Å; A640-V644 PolarHBondContact O-N 2.86Å
641	V	98.5	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.1	-48.8	176.3	173.1	0	0	0	0	110.8	I541 L574 I578 L604 F608 L637 C638 V644 M645	I541-V641 HydrophobicContact CD1-CG1 3.71Å; L574-V641 HydrophobicContact CD1-CG2 3.8Å; L574-V641 HydrophobicContact CD2-CG2 4.15Å; L574-V641 HydrophobicContact CG-CG2 4.23Å; I578-V641 HydrophobicContact CD1-CG2 3.71Å; I578-V641 HydrophobicContact CG1-CG2 3.89Å; L604-V641 HydrophobicContact CD1-CG1 4.43Å; L604-V641 HydrophobicContact CD1-CG2 4.24Å; L604-V641 HydrophobicContact CD2-CG1 4.19Å; L604-V641 HydrophobicContact CG-CG1 4.03Å; F608-V641 HydrophobicContact CB-CG1 4.42Å; F608-V641 HydrophobicContact CD2-CB 4.41Å; F608-V641 HydrophobicContact CD2-CG1 4.33Å; F608-V641 HydrophobicContact CD2-CG2 4.09Å; F608-V641 HydrophobicContact CG-CG1 4.49Å; L637-V641 VanDerWaalsContact O-CG2 3.31Å; L637-V641 WeakPolarHBondContact O-CG2 3.44Å; L637-V641 PolarHBondContact O-N 3.04Å; C638-V641 PolarHBondContact O-N 3.39Å; V641-V644 PolarHBondContact O-N 3.32Å; V641-M645 HydrophobicContact CG1-CG 4.23Å; V641-M645 HydrophobicContact CG1-SD 3.83Å; V641-M645 WeakPolarHBondContact O-CB 3.24Å; V641-M645 WeakPolarHBondContact O-CG 3.33Å; V641-M645 PolarHBondContact O-N 3.28Å
642	A	97.6	Very high	97.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-37	-179.7	0	0	0	0	0	112.2	F538 I541 R542 C638 E639 V644 M645 A646	F538-A642 HydrophobicContact CD2-CB 4.27Å; F538-A642 HydrophobicContact CE2-CB 3.87Å; F538-A642 WeakPolarHBondContact CE2-O 3.39Å; I541-A642 HydrophobicContact CG2-CB 3.81Å; R542-A642 HydrophobicContact CG-CB 4.4Å; R542-A642 VanDerWaalsContact NE-CB 3.29Å; C638-A642 PolarHBondContact O-N 3.23Å; C638-A642 VanDerWaalsContact O-N 3.08Å; E639-A642 PolarHBondContact O-N 3.44Å; A642-V644 PolarHBondContact O-N 3.04Å; A642-M645 PolarHBondContact O-N 2.98Å; A642-A646 VanDerWaalsContact O-CB 3.24Å; A642-A646 WeakPolarHBondContact O-CB 3.31Å; A642-A646 PolarHBondContact O-N 2.89Å
643	A	97.6	Very high	97.9	Very high	26 Å²	26	17.2 Å²	17.2	22%	0.215	9%	0.09	C	C	.	.	H	α-helix	trans	-60.4	-44.5	173.6	0	0	0	0	0	112	V183 E639 A640 K647	V183-A643 HydrophobicContact CG2-CB 3.79Å; E639-A643 WeakPolarHBondContact O-CB 3.43Å; E639-A643 PolarHBondContact O-N 3.23Å; A640-A643 PolarHBondContact O-N 2.99Å; A643-K647 PolarHBondContact O-N 2.76Å
644	V	98.4	Very high	98	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.1	-46.1	177.2	170.8	0	0	0	0	111.6	V183 I578 F581 Y600 L604 A640 V641 A642 A646 K647 G648	V183-V644 HydrophobicContact CG1-CG2 4.36Å; V183-V644 HydrophobicContact CG2-CG2 3.97Å; I578-V644 HydrophobicContact CG2-CG2 3.95Å; F581-V644 HydrophobicContact CB-CG1 4Å; F581-V644 HydrophobicContact CD1-CG1 4.21Å; F581-V644 HydrophobicContact CD2-CG1 3.96Å; F581-V644 HydrophobicContact CE2-CG1 4.41Å; F581-V644 HydrophobicContact CG-CG1 3.82Å; Y600-V644 HydrophobicContact CE1-CG1 4.14Å; L604-V644 HydrophobicContact CD2-CB 4.25Å; L604-V644 HydrophobicContact CD2-CG1 3.82Å; A640-V644 WeakPolarHBondContact O-CG2 3.43Å; A640-V644 PolarHBondContact O-N 2.86Å; V641-V644 PolarHBondContact O-N 3.32Å; A642-V644 PolarHBondContact O-N 3.04Å; V644-A646 VanDerWaalsContact C-N 3.32Å; V644-A646 PolarHBondContact O-N 3.45Å; V644-K647 PolarHBondContact O-N 3.14Å; V644-G648 PolarHBondContact O-N 2.95Å
645	M	98.4	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-41.8	176.7	-73	-177.8	73.5	0	0	111.8	L534 F538 I541 I601 L604 A605 V641 A642 K647 G648 F649	L534-M645 HydrophobicContact CD2-CE 4.34Å; F538-M645 HydrophobicContact CB-CE 4.2Å; F538-M645 HydrophobicContact CD2-CB 3.99Å; F538-M645 HydrophobicContact CE2-CB 4.46Å; I541-M645 HydrophobicContact CD1-SD 3.76Å; I601-M645 HydrophobicContact CG2-CE 4.24Å; I601-M645 HydrophobicContact CG2-CG 4.45Å; L604-M645 HydrophobicContact CD2-CG 3.9Å; A605-M645 HydrophobicContact CB-CE 4.27Å; V641-M645 HydrophobicContact CG1-CG 4.23Å; V641-M645 HydrophobicContact CG1-SD 3.83Å; V641-M645 WeakPolarHBondContact O-CB 3.24Å; V641-M645 WeakPolarHBondContact O-CG 3.33Å; V641-M645 PolarHBondContact O-N 3.28Å; A642-M645 PolarHBondContact O-N 2.98Å; M645-K647 VanDerWaalsContact C-N 3.31Å; M645-K647 PolarHBondContact O-N 3.46Å; M645-G648 PolarHBondContact O-N 3.32Å; M645-F649 HydrophobicContact CB-CE2 4.23Å; M645-F649 HydrophobicContact CE-CE2 4.19Å; M645-F649 HydrophobicContact CE-CZ 3.68Å; M645-F649 WeakPolarHBondContact O-CB 3.47Å; M645-F649 VanDerWaalsContact O-CD2 3.24Å; M645-F649 WeakPolarHBondContact O-CD2 3.49Å; M645-F649 WeakPolarHBondContact O-CG 3.46Å; M645-F649 PolarHBondContact O-N 2.97Å
646	A	98.1	Very high	97.8	Very high	29 Å²	29	22.2 Å²	22.2	24%	0.24	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-41.4	177.6	0	0	0	0	0	111.8	F538 A642 V644 F649 D650	F538-A646 HydrophobicContact CE2-CB 4.02Å; F538-A646 HydrophobicContact CZ-CB 4.23Å; A642-A646 VanDerWaalsContact O-CB 3.24Å; A642-A646 WeakPolarHBondContact O-CB 3.31Å; A642-A646 PolarHBondContact O-N 2.89Å; V644-A646 VanDerWaalsContact C-N 3.32Å; V644-A646 PolarHBondContact O-N 3.45Å; A646-F649 PolarHBondContact O-N 2.99Å; A646-D650 WeakPolarHBondContact O-CB 3.45Å; A646-D650 PolarHBondContact O-N 2.88Å
647	K	98.1	Very high	97.4	Very high	80 Å²	80	22.7 Å²	22.7	35%	0.348	12%	0.122	S	C	.	.	H	α-helix	trans	-71	-37.4	174.3	-73.5	-61.5	179.5	-174.5	0	113.5	V183 F227 F581 A643 V644 M645 F649 D650 I651	V183-K647 HydrophobicContact CB-CG 3.93Å; V183-K647 HydrophobicContact CG1-CB 4.03Å; V183-K647 HydrophobicContact CG1-CG 3.91Å; F227-K647 HydrophobicContact CE2-CD 4.29Å; F581-K647 HydrophobicContact CE1-CB 4.41Å; F581-K647 HydrophobicContact CZ-CB 4.31Å; A643-K647 PolarHBondContact O-N 2.76Å; V644-K647 PolarHBondContact O-N 3.14Å; M645-K647 VanDerWaalsContact C-N 3.31Å; M645-K647 PolarHBondContact O-N 3.46Å; K647-F649 VanDerWaalsContact C-N 3.33Å; K647-F649 PolarHBondContact O-N 3.35Å; K647-D650 IonicContact NZ-OD2 2.68Å; K647-D650 PolarHBondContact O-N 3.31Å; K647-I651 WeakPolarHBondContact O-CG1 3.47Å; K647-I651 PolarHBondContact O-N 3.18Å; K647-I651 VanDerWaalsContact O-N 3.07Å
648	G	98.3	Very high	96.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-43	170.7	0	0	0	0	0	112.3	V644 M645 I651 L652	V644-G648 PolarHBondContact O-N 2.95Å; M645-G648 PolarHBondContact O-N 3.32Å; G648-I651 PolarHBondContact O-N 2.8Å; G648-L652 VanDerWaalsContact O-CG 3.28Å; G648-L652 WeakPolarHBondContact O-CG 3.37Å; G648-L652 PolarHBondContact O-N 3.45Å
649	F	98.6	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-42.1	175.5	-66.9	-31.7	0	0	0	112.5	L534 L535 F538 I601 M645 A646 K647 I651 L652 G653 I654 P656	L534-F649 HydrophobicContact CB-CE1 3.94Å; L534-F649 HydrophobicContact CB-CZ 3.83Å; L534-F649 HydrophobicContact CD1-CE1 4.38Å; L535-F649 HydrophobicContact CD2-CE2 4.49Å; F538-F649 HydrophobicContact CB-CE2 3.86Å; F538-F649 HydrophobicContact CB-CZ 4.38Å; F538-F649 AromaticContact CD2-CE2 3.92Å; F538-F649 HydrophobicContact CD2-CE2 3.92Å; F538-F649 AromaticContact CG-CE2 3.87Å; F538-F649 HydrophobicContact CG-CE2 3.87Å; I601-F649 HydrophobicContact CG2-CE1 3.9Å; I601-F649 HydrophobicContact CG2-CZ 4.48Å; M645-F649 HydrophobicContact CB-CE2 4.23Å; M645-F649 HydrophobicContact CE-CE2 4.19Å; M645-F649 HydrophobicContact CE-CZ 3.68Å; M645-F649 WeakPolarHBondContact O-CB 3.47Å; M645-F649 VanDerWaalsContact O-CD2 3.24Å; M645-F649 WeakPolarHBondContact O-CD2 3.49Å; M645-F649 WeakPolarHBondContact O-CG 3.46Å; M645-F649 PolarHBondContact O-N 2.97Å; A646-F649 PolarHBondContact O-N 2.99Å; K647-F649 VanDerWaalsContact C-N 3.33Å; K647-F649 PolarHBondContact O-N 3.35Å; F649-I651 VanDerWaalsContact C-N 3.34Å; F649-I651 PolarHBondContact O-N 2.76Å; F649-L652 CarbonylContact O-C 3.59Å; F649-L652 PolarHBondContact O-N 2.96Å; F649-L652 VanDerWaalsContact O-N 3.12Å; F649-G653 PolarHBondContact O-N 3.24Å; F649-I654 CarbonylContact C-O 3.55Å; F649-I654 HydrophobicContact CB-CB 4.08Å; F649-I654 WeakPolarHBondContact CB-O 3.4Å; F649-I654 HydrophobicContact CD1-CB 4.4Å; F649-I654 HydrophobicContact CD1-CD1 4.39Å; F649-I654 HydrophobicContact CD1-CG2 4.5Å; F649-I654 HydrophobicContact CG-CB 4.47Å; F649-I654 PolarHBondContact O-N 3.5Å; F649-P656 HydrophobicContact CD2-CB 4.02Å
650	D	98.4	Very high	94.6	Very high	66 Å²	66	32.7 Å²	32.7	35%	0.353	16%	0.163	S	C	.	.	H	α-helix	trans	-57.5	-45.9	175.5	-171.7	32	0	0	0	111.7	R223 A646 K647 L652 G653	R223-D650 WeakPolarHBondContact CD-O 3.43Å; R223-D650 PolarHBondContact NH1-O 2.7Å; R223-D650 IonicContact NH1-OD1 2.84Å; R223-D650 PolarHBondContact NH1-OD1 2.92Å; A646-D650 WeakPolarHBondContact O-CB 3.45Å; A646-D650 PolarHBondContact O-N 2.88Å; K647-D650 IonicContact NZ-OD2 2.68Å; K647-D650 PolarHBondContact O-N 3.31Å; D650-L652 VanDerWaalsContact C-N 3.34Å; D650-L652 PolarHBondContact O-N 3.49Å; D650-G653 PolarHBondContact O-N 2.83Å
651	I	98.5	Very high	94.4	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-40.7	174.5	-65.6	166.7	0	0	0	111.6	S220 L224 F227 F581 L585 L597 K647 G648 F649 G653	S220-I651 VanDerWaalsContact CA-O 3.3Å; S220-I651 WeakPolarHBondContact CA-O 3.47Å; S220-I651 WeakPolarHBondContact CB-O 3.37Å; S220-I651 PolarHBondContact OG-O 2.86Å; L224-I651 HydrophobicContact CB-CG2 3.99Å; L224-I651 HydrophobicContact CD1-CD1 4.47Å; L224-I651 HydrophobicContact CD1-CG2 4.34Å; F227-I651 HydrophobicContact CD1-CD1 3.75Å; F227-I651 HydrophobicContact CD1-CG1 4.49Å; F227-I651 HydrophobicContact CE1-CD1 4.21Å; F227-I651 HydrophobicContact CG-CD1 4.29Å; F581-I651 HydrophobicContact CZ-CD1 4.01Å; L585-I651 HydrophobicContact CD1-CD1 3.92Å; L585-I651 HydrophobicContact CD2-CD1 3.97Å; L597-I651 HydrophobicContact CD2-CB 4.17Å; L597-I651 HydrophobicContact CD2-CG2 3.71Å; K647-I651 WeakPolarHBondContact O-CG1 3.47Å; K647-I651 PolarHBondContact O-N 3.18Å; K647-I651 VanDerWaalsContact O-N 3.07Å; G648-I651 PolarHBondContact O-N 2.8Å; F649-I651 VanDerWaalsContact C-N 3.34Å; F649-I651 PolarHBondContact O-N 2.76Å; I651-G653 PolarHBondContact O-N 2.74Å
652	L	98.5	Very high	94.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.9	176.3	-64.3	172.6	0	0	0	113.2	Y505 L508 L597 G648 F649 D650 I654	Y505-L652 HydrophobicContact CD2-CD1 4.15Å; Y505-L652 HydrophobicContact CE2-CD1 4.13Å; L508-L652 HydrophobicContact CB-CD2 4.41Å; L508-L652 HydrophobicContact CD1-CB 4.26Å; L508-L652 HydrophobicContact CD1-CD2 3.71Å; L597-L652 HydrophobicContact CD2-CD2 3.83Å; L597-L652 HydrophobicContact CD2-CG 3.91Å; L597-L652 HydrophobicContact CG-CD1 4.45Å; L597-L652 HydrophobicContact CG-CD2 4.25Å; L597-L652 HydrophobicContact CG-CG 4.36Å; G648-L652 VanDerWaalsContact O-CG 3.28Å; G648-L652 WeakPolarHBondContact O-CG 3.37Å; G648-L652 PolarHBondContact O-N 3.45Å; F649-L652 CarbonylContact O-C 3.59Å; F649-L652 PolarHBondContact O-N 2.96Å; F649-L652 VanDerWaalsContact O-N 3.12Å; D650-L652 VanDerWaalsContact C-N 3.34Å; D650-L652 PolarHBondContact O-N 3.49Å; L652-I654 VanDerWaalsContact C-N 3.26Å; L652-I654 HydrophobicContact CB-CD1 4.03Å; L652-I654 HydrophobicContact CB-CG1 4.04Å; L652-I654 HydrophobicContact CD1-CD1 4.34Å; L652-I654 PolarHBondContact O-N 3.27Å
653	G	97.8	Very high	94	Very high	9 Å²	9	38.1 Å²	38.1	9%	0.093	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	22.5	-175.1	0	0	0	0	0	113.8	K504 F649 D650 I651	K504-G653 VanDerWaalsContact CD-O 3.29Å; K504-G653 WeakPolarHBondContact CD-O 3.36Å; K504-G653 WeakPolarHBondContact CE-O 3.38Å; K504-G653 PolarHBondContact NZ-O 2.65Å; F649-G653 PolarHBondContact O-N 3.24Å; D650-G653 PolarHBondContact O-N 2.83Å; I651-G653 PolarHBondContact O-N 2.74Å
654	I	97.9	Very high	93.8	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.188	C	C	.	.			trans	-94.6	124.4	177.3	-56.8	175.8	0	0	0	107.9	Y505 A531 L535 F649 L652 P656	Y505-I654 HydrophobicContact CD2-CD1 3.71Å; Y505-I654 HydrophobicContact CG-CD1 4.26Å; A531-I654 HydrophobicContact CB-CD1 4.36Å; L535-I654 HydrophobicContact CD1-CG2 4.49Å; L535-I654 HydrophobicContact CD2-CG2 4.06Å; F649-I654 CarbonylContact C-O 3.55Å; F649-I654 HydrophobicContact CB-CB 4.08Å; F649-I654 WeakPolarHBondContact CB-O 3.4Å; F649-I654 HydrophobicContact CD1-CB 4.4Å; F649-I654 HydrophobicContact CD1-CD1 4.39Å; F649-I654 HydrophobicContact CD1-CG2 4.5Å; F649-I654 HydrophobicContact CG-CB 4.47Å; F649-I654 PolarHBondContact O-N 3.5Å; L652-I654 VanDerWaalsContact C-N 3.26Å; L652-I654 HydrophobicContact CB-CD1 4.03Å; L652-I654 HydrophobicContact CB-CG1 4.04Å; L652-I654 HydrophobicContact CD1-CD1 4.34Å; L652-I654 PolarHBondContact O-N 3.27Å; I654-P656 WeakPolarHBondContact O-CD 3.43Å
655	K	96.3	Very high	93.5	Very high	162 Å²	162	41.3 Å²	41.3	70%	0.704	20%	0.2	S	C	*	.			trans	-83.3	111.4	178.7	-167.9	169.4	-174.2	170.4	0	109.9	S497	S497-K655 WeakPolarHBondContact CB-O 3.42Å; S497-K655 PolarHBondContact OG-O 2.86Å
656	P	93.4	Very high	93.2	Very high	42 Å²	42	44 Å²	44	27%	0.273	21%	0.213	S	C	.	.			trans	-67.9	150.5	179.4	25.9	-32.4	0	0	0	111.8	F538 F649 I654	F538-P656 HydrophobicContact CD1-CB 4.14Å; F538-P656 HydrophobicContact CE1-CB 3.68Å; F538-P656 HydrophobicContact CZ-CB 4Å; F649-P656 HydrophobicContact CD2-CB 4.02Å; I654-P656 WeakPolarHBondContact O-CD 3.43Å
657	V	90.1	Very high	92.8	Very high	11 Å²	11	45.1 Å²	45.1	7%	0.067	21%	0.211	C	C	.	.			trans	-113.7	141.8	173.1	-71.3	0	0	0	0	110.5	A493 F538 T539 M660	A493-V657 HydrophobicContact CB-CG1 4.35Å; F538-V657 WeakPolarHBondContact CD1-O 3.47Å; F538-V657 WeakPolarHBondContact CE1-O 3.36Å; T539-V657 HydrophobicContact CG2-CG2 3.82Å; T539-V657 WeakPolarHBondContact CG2-O 3.46Å; V657-M660 HydrophobicContact CG2-CB 3.97Å; V657-M660 HydrophobicContact CG2-CG 4.34Å; V657-M660 HydrophobicContact CG2-SD 4.47Å
658	Q	81.6	Confident	92.4	Very high	104 Å²	104	42.4 Å²	42.4	49%	0.486	20%	0.201	S	C	.	.	S	Bend	trans	-84.4	-22	-178.6	-62.5	-60.8	-22.8	0	0	112.9	R546	R546-Q658 PolarHBondContact NH1-O 2.97Å
659	R	78.7	Confident	91.9	Very high	122 Å²	122	45.9 Å²	45.9	46%	0.46	22%	0.217	S	C	.	.			trans	-141.7	135.5	178.6	-71.2	172.2	175.5	-168.6	1.9	107.7	L486 E490	L486-R659 HydrophobicContact CD2-CB 4.28Å; E490-R659 WeakPolarHBondContact OE1-CD 3.38Å; E490-R659 IonicContact OE1-CZ 2.62Å; E490-R659 IonicContact OE1-NE 2.68Å; E490-R659 IonicContact OE1-NH1 2.8Å; E490-R659 PolarHBondContact OE1-NH1 2.95Å; E490-R659 VanDerWaalsContact OE1-NH1 3.08Å
660	M	73.6	Confident	91.3	Very high	27 Å²	27	50.1 Å²	50.1	13%	0.133	24%	0.237	C	C	.	.			trans	-149.9	0	-175.8	-173.3	-169.1	-161.3	0	0	109.7	R482 I498 L535 T539 V657	R482-M660 VanDerWaalsContact CZ-C 3.42Å; R482-M660 VanDerWaalsContact NE-C 3.34Å; R482-M660 PolarHBondContact NE-O 2.89Å; R482-M660 PolarHBondContact NE-OXT 3.1Å; R482-M660 PolarHBondContact NH2-O 3.1Å; R482-M660 PolarHBondContact NH2-OXT 3.07Å; I498-M660 HydrophobicContact CD1-CE 3.11Å; I498-M660 HydrophobicContact CG1-CE 3.11Å; L535-M660 HydrophobicContact CB-CE 4.1Å; L535-M660 HydrophobicContact CB-SD 3.99Å; T539-M660 HydrophobicContact CG2-CB 3.45Å; T539-M660 VanDerWaalsContact CG2-CB 3.45Å; T539-M660 HydrophobicContact CG2-SD 4.47Å; V657-M660 HydrophobicContact CG2-CB 3.97Å; V657-M660 HydrophobicContact CG2-CG 4.34Å; V657-M660 HydrophobicContact CG2-SD 4.47Å

Retrieved 660 of 660 residues in 610.4 ms (Link to these results)

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