A0A077YXV3_TRITR Loading...

alpha-1,2-Mannosidase

Extracts misfolded glycoproteins, but not glycoproteins undergoing productive folding, from the calnexin cycle. It is directly involved in endoplasmic reticulum-associated degradation (ERAD) and targets misfolded glycoproteins for degradation in an N-glycan-independent manner, probably by forming a complex with SEL1L. It has low mannosidase activity, catalyzing mannose trimming from Man8GlcNAc2 to Man7GlcNAc2.

AlphaFold DB , UniProt , Accession A0A077YXV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 580 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	45.9	Very low	50.2	Low	201 Å²	201	116.5 Å²	116.5	99%	0.99	65%	0.654	S	S	*	*				0	-49.3	0	-91.1	-174.7	85.7	0	0	113.3	I3 L4 V5	M1-I3 PolarHBondContact O-N 3.29Å; M1-L4 PolarHBondContact O-N 2.59Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-V5 PolarHBondContact O-N 3.19Å
2	L	49.7	Very low	49.6	Very low	142 Å²	142	112.9 Å²	112.9	74%	0.743	64%	0.637	S	S	*	*	H	α-helix	trans	-54.6	-40.3	-177.1	-88.6	142.7	0	0	0	115.2	L4 V5 F6	L2-L4 VanDerWaalsContact C-N 3.32Å; L2-L4 PolarHBondContact O-N 2.66Å; L2-V5 PolarHBondContact O-N 3.11Å; L2-F6 PolarHBondContact O-N 3.29Å
3	I	58	Low	48.5	Very low	155 Å²	155	110.1 Å²	110.1	80%	0.795	65%	0.648	S	S	*	*	H	α-helix	trans	-67.2	-32.4	179.4	-59.6	174.3	0	0	0	112.1	M1 F6 A7	M1-I3 PolarHBondContact O-N 3.29Å; I3-F6 PolarHBondContact O-N 3.4Å; I3-A7 PolarHBondContact O-N 2.89Å
4	L	53.5	Low	47.4	Very low	132 Å²	132	118.5 Å²	118.5	69%	0.691	66%	0.664	S	S	*	*	H	α-helix	trans	-72.8	-32.4	179.3	-107.7	132.9	0	0	0	112.3	M1 L2 F6 A7 V8	M1-L4 PolarHBondContact O-N 2.59Å; M1-L4 VanDerWaalsContact O-N 3.09Å; L2-L4 VanDerWaalsContact C-N 3.32Å; L2-L4 PolarHBondContact O-N 2.66Å; L4-F6 VanDerWaalsContact C-N 3.34Å; L4-A7 PolarHBondContact O-N 3.21Å; L4-V8 WeakPolarHBondContact O-CG2 3.25Å; L4-V8 PolarHBondContact O-N 3.06Å
5	V	59.3	Low	46.7	Very low	80 Å²	80	114.5 Å²	114.5	49%	0.485	65%	0.647	S	S	.	*	H	α-helix	trans	-66.5	-37.7	175.5	178.4	0	0	0	0	111	M1 L2 V8 L9	M1-V5 PolarHBondContact O-N 3.19Å; L2-V5 PolarHBondContact O-N 3.11Å; V5-V8 PolarHBondContact O-N 3.48Å; V5-L9 HydrophobicContact CG1-CD1 3.93Å; V5-L9 WeakPolarHBondContact O-CG 3.38Å; V5-L9 PolarHBondContact O-N 3.12Å
6	F	48.7	Very low	46.1	Very low	114 Å²	114	122.7 Å²	122.7	50%	0.5	66%	0.664	S	S	.	*	H	α-helix	trans	-64.8	-41.3	177.5	-95.1	-84.7	0	0	0	113.2	L2 I3 L4 C10 L21	L2-F6 PolarHBondContact O-N 3.29Å; I3-F6 PolarHBondContact O-N 3.4Å; L4-F6 VanDerWaalsContact C-N 3.34Å; F6-C10 PolarHBondContact O-N 3.33Å; F6-L21 HydrophobicContact CE1-CD1 4.11Å; F6-L21 HydrophobicContact CZ-CD1 4.02Å; F6-L21 HydrophobicContact CZ-CD2 4.38Å
7	A	52.2	Low	45.5	Very low	64 Å²	64	124 Å²	124	53%	0.529	67%	0.665	S	S	.	*	H	α-helix	trans	-67.2	-37.8	179.7	0	0	0	0	0	112.4	I3 L4 S11	I3-A7 PolarHBondContact O-N 2.89Å; L4-A7 PolarHBondContact O-N 3.21Å; A7-S11 PolarHBondContact O-N 3.12Å; A7-S11 PolarHBondContact O-OG 2.91Å
8	V	50.2	Low	45.2	Very low	80 Å²	80	123.1 Å²	123.1	49%	0.485	67%	0.667	S	S	.	*	H	α-helix	trans	-67.8	-43.8	-179.9	176.1	0	0	0	0	110.9	L4 V5 C10 S11 T12	L4-V8 WeakPolarHBondContact O-CG2 3.25Å; L4-V8 PolarHBondContact O-N 3.06Å; V5-V8 PolarHBondContact O-N 3.48Å; V8-C10 PolarHBondContact O-N 3.38Å; V8-S11 PolarHBondContact O-N 3.41Å; V8-S11 VanDerWaalsContact O-N 3.13Å; V8-S11 PolarHBondContact O-OG 2.63Å; V8-T12 PolarHBondContact O-N 2.92Å; V8-T12 PolarHBondContact O-OG1 3.22Å
9	L	45.3	Very low	44.7	Very low	108 Å²	108	123.6 Å²	123.6	57%	0.565	66%	0.664	S	S	*	*	H	α-helix	trans	-66.2	-33.2	-179.1	-71.5	167.9	0	0	0	113.5	V5	V5-L9 HydrophobicContact CG1-CD1 3.93Å; V5-L9 WeakPolarHBondContact O-CG 3.38Å; V5-L9 PolarHBondContact O-N 3.12Å
10	C	44.6	Very low	44.6	Very low	115 Å²	115	124.7 Å²	124.7	78%	0.777	66%	0.664	S	S	*	*	H	α-helix	trans	-71.7	-28.8	173.6	-76.4	0	0	0	0	113.1	F6 V8	F6-C10 PolarHBondContact O-N 3.33Å; V8-C10 PolarHBondContact O-N 3.38Å
11	S	45.1	Very low	44.6	Very low	91 Å²	91	123.8 Å²	123.8	64%	0.636	66%	0.659	S	S	*	*	H	α-helix	trans	-80.4	-23.6	-177.9	67.9	0	0	0	0	114	A7 V8	A7-S11 PolarHBondContact O-N 3.12Å; A7-S11 PolarHBondContact O-OG 2.91Å; V8-S11 PolarHBondContact O-N 3.41Å; V8-S11 VanDerWaalsContact O-N 3.13Å; V8-S11 PolarHBondContact O-OG 2.63Å
12	T	42.6	Very low	44.5	Very low	73 Å²	73	123.6 Å²	123.6	45%	0.448	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.2	30	-172.7	60.7	0	0	0	0	113.8	V8 W14	V8-T12 PolarHBondContact O-N 2.92Å; V8-T12 PolarHBondContact O-OG1 3.22Å; T12-W14 WeakPolarHBondContact O-CB 3.24Å; T12-W14 PolarHBondContact O-N 3.35Å
13	G	35.1	Very low	44.3	Very low	76 Å²	76	123.4 Å²	123.4	78%	0.784	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	50	13.7	162.2	0	0	0	0	0	118.2
14	W	33.3	Very low	43.9	Very low	228 Å²	228	121.7 Å²	121.7	86%	0.864	65%	0.654	S	S	*	*			trans	-111.2	79.5	-169.7	-88.4	34.5	0	0	0	107.6	T12	T12-W14 WeakPolarHBondContact O-CB 3.24Å; T12-W14 PolarHBondContact O-N 3.35Å
15	S	36.7	Very low	44	Very low	58 Å²	58	121.4 Å²	121.4	41%	0.406	66%	0.657	S	S	.	*			trans	171	117.3	142	179.7	0	0	0	0	109.2	H17 H19	S15-H17 PolarHBondContact O-N 3.08Å; S15-H17 PolarHBondContact OG-N 2.98Å; S15-H17 VanDerWaalsContact OG-N 3.12Å; S15-H17 PolarHBondContact OG-O 3.13Å; S15-H17 VanDerWaalsContact OG-O 3.09Å; S15-H19 WeakPolarHBondContact CB-NE2 3.18Å; S15-H19 PolarHBondContact OG-NE2 3.35Å
16	R	36.7	Very low	44.8	Very low	246 Å²	246	122.2 Å²	122.2	93%	0.928	67%	0.667	S	S	*	*	S	Bend	trans	-83.7	12.5	167.8	-82.8	-173.3	173.3	-174.7	-1.7	112.6
17	H	37.4	Very low	46.6	Very low	145 Å²	145	119.5 Å²	119.5	67%	0.671	66%	0.657	S	S	*	*	S	Bend	trans	-112.7	123.1	175.2	-64.8	-66	0	0	0	109.9	S15 H19	S15-H17 PolarHBondContact O-N 3.08Å; S15-H17 PolarHBondContact OG-N 2.98Å; S15-H17 VanDerWaalsContact OG-N 3.12Å; S15-H17 PolarHBondContact OG-O 3.13Å; S15-H17 VanDerWaalsContact OG-O 3.09Å; H17-H19 PolarHBondContact O-CD2 3.39Å; H17-H19 PolarHBondContact O-N 2.91Å
18	P	39.6	Very low	48.4	Very low	108 Å²	108	119.6 Å²	119.6	70%	0.701	65%	0.652	S	S	*	*			trans	-61.8	107.1	173.5	24.1	-29.7	0	0	0	108.6	H20	P18-H20 PolarHBondContact O-N 3.14Å
19	H	35.7	Very low	50.3	Low	133 Å²	133	116.2 Å²	116.2	62%	0.616	63%	0.631	S	S	*	*			trans	-69.8	96.6	-179.8	-73.1	-73.8	0	0	0	110.4	S15 H17 L21	S15-H19 WeakPolarHBondContact CB-NE2 3.18Å; S15-H19 PolarHBondContact OG-NE2 3.35Å; H17-H19 PolarHBondContact O-CD2 3.39Å; H17-H19 PolarHBondContact O-N 2.91Å; H19-L21 HydrophobicContact CB-CD1 3.97Å; H19-L21 PolarHBondContact O-N 2.61Å
20	H	42.1	Very low	52.4	Low	145 Å²	145	113.7 Å²	113.7	67%	0.671	62%	0.616	S	S	*	*			trans	-68.3	81.9	152.3	-75.1	-74.9	0	0	0	108.6	P18 F22 L23	P18-H20 PolarHBondContact O-N 3.14Å; H20-F22 PolarHBondContact O-N 3.12Å; H20-L23 PolarHBondContact O-N 3.4Å
21	L	44.7	Very low	54.5	Low	105 Å²	105	113.2 Å²	113.2	55%	0.55	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.1	-6	-174.1	-111	121.4	0	0	0	115.6	F6 H19	F6-L21 HydrophobicContact CE1-CD1 4.11Å; F6-L21 HydrophobicContact CZ-CD1 4.02Å; F6-L21 HydrophobicContact CZ-CD2 4.38Å; H19-L21 HydrophobicContact CB-CD1 3.97Å; H19-L21 PolarHBondContact O-N 2.61Å
22	F	44.2	Very low	56.7	Low	197 Å²	197	112.2 Å²	112.2	86%	0.864	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	12.9	-177.8	-66.2	-74.8	0	0	0	115.2	H20	H20-F22 PolarHBondContact O-N 3.12Å
23	L	46	Very low	59.1	Low	138 Å²	138	108.8 Å²	108.8	72%	0.723	57%	0.574	S	S	*	*			trans	-117.2	71.4	168.5	-67.8	173.2	0	0	0	109.2	H20 V25	H20-L23 PolarHBondContact O-N 3.4Å; L23-V25 PolarHBondContact O-N 3.32Å; L23-V25 VanDerWaalsContact O-N 3.14Å
24	S	48.6	Very low	61.7	Low	120 Å²	120	105.5 Å²	105.5	84%	0.839	54%	0.54	S	S	*	.			trans	-82.8	32.5	-177.8	74.5	0	0	0	0	113.9
25	V	57	Low	64.5	Low	125 Å²	125	102 Å²	102	76%	0.758	53%	0.528	S	S	*	.			trans	-107.1	107.2	169.2	-174.2	0	0	0	0	105.9	L23 D27	L23-V25 PolarHBondContact O-N 3.32Å; L23-V25 VanDerWaalsContact O-N 3.14Å; V25-D27 PolarHBondContact O-N 3.39Å
26	S	75.8	Confident	67.3	Low	98 Å²	98	100 Å²	100	69%	0.685	51%	0.512	S	S	*	.			trans	-58.6	107.6	169.4	54	0	0	0	0	107.7	P28	S26-P28 WeakPolarHBondContact O-CD 3.25Å
27	D	86.1	Confident	70.2	Confident	56 Å²	56	90.1 Å²	90.1	30%	0.299	48%	0.48	S	S	.	.			trans	-75.2	117.7	176.1	-178.9	4.2	0	0	0	108.8	V25 W29 E30 T31 S564	V25-D27 PolarHBondContact O-N 3.39Å; D27-W29 VanDerWaalsContact C-N 3.25Å; D27-W29 PolarHBondContact O-N 3.16Å; D27-W29 PolarHBondContact OD1-N 3.43Å; D27-E30 HydrophobicContact CB-CB 3.91Å; D27-E30 PolarHBondContact O-N 2.97Å; D27-T31 WeakPolarHBondContact O-CB 3.17Å; D27-T31 PolarHBondContact O-N 3.31Å; D27-T31 PolarHBondContact O-OG1 3.24Å; D27-S564 WeakPolarHBondContact OD1-CB 3.49Å; D27-S564 PolarHBondContact OD1-OG 3.32Å; D27-S564 WeakPolarHBondContact OD2-CB 3.36Å; D27-S564 PolarHBondContact OD2-OG 2.81Å
28	P	89.4	Confident	73	Confident	66 Å²	66	88 Å²	88	43%	0.429	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-35.3	-175.1	-26.4	36.5	0	0	0	113.3	S26 T31 H32 F580	S26-P28 WeakPolarHBondContact O-CD 3.25Å; P28-T31 PolarHBondContact O-N 2.79Å; P28-H32 WeakPolarHBondContact O-CB 3.48Å; P28-H32 PolarHBondContact O-N 3.27Å; P28-F580 HydrophobicContact CB-CD2 3.87Å; P28-F580 HydrophobicContact CB-CE1 4.13Å; P28-F580 HydrophobicContact CB-CE2 3.41Å; P28-F580 VanDerWaalsContact CB-CE2 3.41Å; P28-F580 HydrophobicContact CB-CG 4.41Å; P28-F580 HydrophobicContact CB-CZ 3.56Å; P28-F580 HydrophobicContact CG-CE2 4.3Å
29	W	90.4	Very high	75.8	Confident	10 Å²	10	87.3 Å²	87.3	4%	0.038	47%	0.471	C	S	.	.	H	α-helix	trans	-65.6	-46	177.5	-69.7	91.5	0	0	0	111.4	D27 T31 H32 F33 L560 M567 H571 Y578 P579 F580	D27-W29 VanDerWaalsContact C-N 3.25Å; D27-W29 PolarHBondContact O-N 3.16Å; D27-W29 PolarHBondContact OD1-N 3.43Å; W29-T31 VanDerWaalsContact C-N 3.27Å; W29-T31 PolarHBondContact O-N 2.87Å; W29-H32 PolarHBondContact O-N 3.13Å; W29-F33 AromaticContact CE3-CD2 3.82Å; W29-F33 HydrophobicContact CE3-CD2 3.82Å; W29-F33 AromaticContact CE3-CE2 3.47Å; W29-F33 HydrophobicContact CE3-CE2 3.47Å; W29-F33 VanDerWaalsContact CE3-CE2 3.47Å; W29-F33 HydrophobicContact CZ3-CD2 4.43Å; W29-F33 AromaticContact CZ3-CE2 3.67Å; W29-F33 HydrophobicContact CZ3-CE2 3.67Å; W29-F33 HydrophobicContact CZ3-CZ 4.43Å; W29-F33 WeakPolarHBondContact O-CB 3.15Å; W29-F33 WeakPolarHBondContact O-CD2 3.28Å; W29-F33 PolarHBondContact O-N 3.38Å; W29-L560 HydrophobicContact CB-CD1 3.31Å; W29-L560 HydrophobicContact CB-CD2 4.39Å; W29-L560 HydrophobicContact CB-CG 4.42Å; W29-L560 HydrophobicContact CG-CD1 4.4Å; W29-M567 HydrophobicContact CD2-CB 4.19Å; W29-M567 HydrophobicContact CE3-CB 4.23Å; W29-M567 HydrophobicContact CE3-CE 4.34Å; W29-M567 HydrophobicContact CH2-CB 4.35Å; W29-M567 HydrophobicContact CH2-CE 4.4Å; W29-M567 HydrophobicContact CZ2-CB 4.26Å; W29-M567 HydrophobicContact CZ3-CB 4.32Å; W29-M567 HydrophobicContact CZ3-CE 3.84Å; W29-H571 AromaticContact CH2-CD2 3.62Å; W29-H571 AromaticContact CH2-CE1 3.61Å; W29-H571 AromaticContact CH2-CG 3.89Å; W29-H571 AromaticContact CH2-ND1 3.87Å; W29-H571 AromaticContact CH2-NE2 3.45Å; W29-H571 WeakPolarHBondContact CH2-NE2 3.28Å; W29-Y578 HydrophobicContact CH2-CD1 4.42Å; W29-Y578 AromaticContact CZ2-CD1 3.73Å; W29-Y578 HydrophobicContact CZ2-CD1 3.73Å; W29-Y578 HydrophobicContact CZ2-CE1 4.41Å; W29-Y578 HydrophobicContact CZ2-CG 4.2Å; W29-P579 HydrophobicContact CH2-CG 4.2Å; W29-P579 HydrophobicContact CZ3-CG 3.91Å; W29-F580 HydrophobicContact CB-CE1 4.45Å; W29-F580 AromaticContact CD1-CZ 3.73Å; W29-F580 AromaticContact CD2-CE1 3.78Å; W29-F580 HydrophobicContact CD2-CE1 3.78Å; W29-F580 AromaticContact CD2-CZ 3.96Å; W29-F580 HydrophobicContact CD2-CZ 3.96Å; W29-F580 AromaticContact CE2-CE1 4Å; W29-F580 AromaticContact CE2-CZ 3.76Å; W29-F580 HydrophobicContact CE3-CE1 4.16Å; W29-F580 AromaticContact CG-CE1 3.91Å; W29-F580 HydrophobicContact CG-CE1 3.91Å; W29-F580 AromaticContact CG-CZ 3.92Å; W29-F580 HydrophobicContact CG-CZ 3.92Å; W29-F580 HydrophobicContact CZ2-CZ 4.35Å; W29-F580 AromaticContact NE1-CZ 3.65Å
30	E	88.3	Confident	78.8	Confident	55 Å²	55	82.6 Å²	82.6	26%	0.257	45%	0.45	S	S	.	.	H	α-helix	trans	-64.3	-38.3	177.8	-177.1	68.6	-168.5	0	0	110.4	D27 H32 G34 V559 L560	D27-E30 HydrophobicContact CB-CB 3.91Å; D27-E30 PolarHBondContact O-N 2.97Å; E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.04Å; E30-G34 VanDerWaalsContact O-CA 3.27Å; E30-G34 WeakPolarHBondContact O-CA 3.31Å; E30-G34 PolarHBondContact O-N 3.35Å; E30-V559 WeakPolarHBondContact OE1-CA 3.45Å; E30-V559 WeakPolarHBondContact OE2-CA 3.45Å; E30-L560 HydrophobicContact CB-CD1 4.36Å; E30-L560 WeakPolarHBondContact OE2-CG 3.4Å; E30-L560 PolarHBondContact OE2-N 2.94Å
31	T	89.1	Confident	81.5	Confident	104 Å²	104	77.5 Å²	77.5	64%	0.638	43%	0.425	S	S	*	.	H	α-helix	trans	-63.8	-40	177.2	-55	0	0	0	0	111.5	D27 P28 W29	D27-T31 WeakPolarHBondContact O-CB 3.17Å; D27-T31 PolarHBondContact O-N 3.31Å; D27-T31 PolarHBondContact O-OG1 3.24Å; P28-T31 PolarHBondContact O-N 2.79Å; W29-T31 VanDerWaalsContact C-N 3.27Å; W29-T31 PolarHBondContact O-N 2.87Å
32	H	91.1	Very high	84.1	Confident	71 Å²	71	75.5 Å²	75.5	33%	0.329	42%	0.417	S	S	.	.	H	α-helix	trans	-78.3	-44.8	-178.9	-167.5	93.3	0	0	0	112.4	P28 W29 E30 H426 F580	P28-H32 WeakPolarHBondContact O-CB 3.48Å; P28-H32 PolarHBondContact O-N 3.27Å; W29-H32 PolarHBondContact O-N 3.13Å; E30-H32 VanDerWaalsContact C-N 3.33Å; E30-H32 PolarHBondContact O-N 3.04Å; H32-H426 PolarHBondContact O-CE1 3.46Å; H32-H426 PolarHBondContact O-NE2 3.29Å; H32-F580 HydrophobicContact CB-CD1 3.98Å
33	F	93.4	Very high	86.7	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-104.3	-17.6	-169.3	-67.4	-74	0	0	0	115.2	W29 Y35 Y377 F423 H426 L560 P579	W29-F33 AromaticContact CE3-CD2 3.82Å; W29-F33 HydrophobicContact CE3-CD2 3.82Å; W29-F33 AromaticContact CE3-CE2 3.47Å; W29-F33 HydrophobicContact CE3-CE2 3.47Å; W29-F33 VanDerWaalsContact CE3-CE2 3.47Å; W29-F33 HydrophobicContact CZ3-CD2 4.43Å; W29-F33 AromaticContact CZ3-CE2 3.67Å; W29-F33 HydrophobicContact CZ3-CE2 3.67Å; W29-F33 HydrophobicContact CZ3-CZ 4.43Å; W29-F33 WeakPolarHBondContact O-CB 3.15Å; W29-F33 WeakPolarHBondContact O-CD2 3.28Å; W29-F33 PolarHBondContact O-N 3.38Å; F33-Y35 PolarHBondContact O-N 3.26Å; F33-Y35 VanDerWaalsContact O-N 3.15Å; F33-Y377 VanDerWaalsContact CZ-OH 3.24Å; F33-Y377 WeakPolarHBondContact CZ-OH 3.34Å; F33-F423 HydrophobicContact CB-CB 4.42Å; F33-F423 HydrophobicContact CB-CD2 4Å; F33-F423 AromaticContact CD1-CD2 3.62Å; F33-F423 HydrophobicContact CD1-CD2 3.62Å; F33-F423 HydrophobicContact CD1-CE2 4.11Å; F33-F423 HydrophobicContact CD2-CD2 4.35Å; F33-F423 HydrophobicContact CE1-CD2 4.16Å; F33-F423 HydrophobicContact CE1-CE2 4.19Å; F33-F423 AromaticContact CG-CD2 3.73Å; F33-F423 HydrophobicContact CG-CD2 3.73Å; F33-F423 HydrophobicContact CG-CE2 4.34Å; F33-F423 HydrophobicContact CZ-CE2 4.5Å; F33-F423 PolarHBondContact O-N 2.66Å; F33-H426 HydrophobicContact CD1-CB 3.62Å; F33-H426 AromaticContact CD1-CD2 3.74Å; F33-H426 AromaticContact CD1-CG 3.75Å; F33-H426 HydrophobicContact CE1-CB 3.77Å; F33-L560 HydrophobicContact CB-CD2 3.7Å; F33-L560 HydrophobicContact CD2-CD2 4.26Å; F33-L560 HydrophobicContact CG-CD2 4.3Å; F33-P579 HydrophobicContact CE2-CG 3.53Å; F33-P579 HydrophobicContact CZ-CB 4.13Å; F33-P579 HydrophobicContact CZ-CG 3.56Å
34	G	90.5	Very high	89.2	Confident	8 Å²	8	65.5 Å²	65.5	8%	0.082	37%	0.37	C	S	.	.	S	Bend	trans	-71.6	-7	-174.1	0	0	0	0	0	114.7	E30 H558	E30-G34 VanDerWaalsContact O-CA 3.27Å; E30-G34 WeakPolarHBondContact O-CA 3.31Å; E30-G34 PolarHBondContact O-N 3.35Å; G34-H558 WeakPolarHBondContact CA-O 3.33Å; G34-H558 PolarHBondContact O-ND1 3.26Å
35	Y	92.3	Very high	91.6	Very high	154 Å²	154	61 Å²	61	60%	0.604	34%	0.336	S	S	*	.			trans	-140.9	138.9	177.5	179.7	-111.6	0	0	0	111.8	F33 P37 H426	F33-Y35 PolarHBondContact O-N 3.26Å; F33-Y35 VanDerWaalsContact O-N 3.15Å; Y35-P37 HydrophobicContact CD1-CG 4.27Å; Y35-P37 HydrophobicContact CE1-CB 4.17Å; Y35-P37 HydrophobicContact CE1-CG 3.7Å; Y35-H426 PolarHBondContact O-CE1 3.49Å; Y35-H426 PolarHBondContact O-NE2 3.23Å
36	F	95.4	Very high	93.5	Very high	15 Å²	15	58.9 Å²	58.9	7%	0.066	32%	0.321	C	S	.	.			trans	-133	114.2	173.8	-163.6	-84.8	0	0	0	108.9	L40 R41 M44 P422 L425 H426 K429 F476	F36-L40 HydrophobicContact CD1-CB 4.47Å; F36-L40 HydrophobicContact CD2-CD2 4.36Å; F36-L40 HydrophobicContact CE1-CB 3.94Å; F36-L40 HydrophobicContact CE1-CD2 4.05Å; F36-L40 HydrophobicContact CE1-CG 3.75Å; F36-L40 HydrophobicContact CE2-CD2 3.79Å; F36-L40 HydrophobicContact CE2-CG 4.25Å; F36-L40 HydrophobicContact CZ-CB 4.28Å; F36-L40 HydrophobicContact CZ-CD2 3.64Å; F36-L40 HydrophobicContact CZ-CG 3.56Å; F36-R41 HydrophobicContact CD1-CB 4.04Å; F36-R41 HydrophobicContact CE1-CB 3.88Å; F36-M44 HydrophobicContact CZ-CG 4.17Å; F36-P422 HydrophobicContact CB-CB 3.92Å; F36-L425 HydrophobicContact CB-CB 4.16Å; F36-L425 HydrophobicContact CB-CD1 3.92Å; F36-L425 HydrophobicContact CD1-CB 3.91Å; F36-L425 HydrophobicContact CD1-CD1 3.89Å; F36-L425 HydrophobicContact CD2-CB 3.6Å; F36-L425 HydrophobicContact CE1-CB 4.13Å; F36-L425 HydrophobicContact CE2-CB 3.88Å; F36-L425 WeakPolarHBondContact CE2-O 3.46Å; F36-L425 HydrophobicContact CG-CB 3.62Å; F36-L425 HydrophobicContact CG-CD1 3.95Å; F36-L425 HydrophobicContact CG-CG 4.46Å; F36-L425 HydrophobicContact CZ-CB 4.12Å; F36-H426 HydrophobicContact CD2-CB 4.49Å; F36-H426 AromaticContact CD2-CD2 3.74Å; F36-H426 AromaticContact CD2-CE1 3.58Å; F36-H426 AromaticContact CD2-CG 3.67Å; F36-H426 AromaticContact CD2-ND1 3.55Å; F36-H426 AromaticContact CD2-NE2 3.67Å; F36-H426 AromaticContact CE2-ND1 3.78Å; F36-K429 HydrophobicContact CE2-CB 4.23Å; F36-K429 HydrophobicContact CE2-CD 4.27Å; F36-K429 HydrophobicContact CZ-CB 4.28Å; F36-K429 HydrophobicContact CZ-CD 4.41Å; F36-F476 HydrophobicContact CE1-CE1 4.24Å; F36-F476 HydrophobicContact CZ-CE1 4.04Å
37	P	96.3	Very high	94.6	Very high	39 Å²	39	55.5 Å²	55.5	25%	0.253	30%	0.299	S	S	.	.			trans	-61.7	139.5	-176.9	-20	28.3	0	0	0	112.9	Y35 S39 L40 R41	Y35-P37 HydrophobicContact CD1-CG 4.27Å; Y35-P37 HydrophobicContact CE1-CB 4.17Å; Y35-P37 HydrophobicContact CE1-CG 3.7Å; P37-S39 PolarHBondContact O-N 2.74Å; P37-L40 HydrophobicContact CB-CB 4.17Å; P37-L40 HydrophobicContact CG-CB 4.39Å; P37-L40 WeakPolarHBondContact O-CB 3.33Å; P37-L40 PolarHBondContact O-N 3.09Å; P37-R41 PolarHBondContact O-N 2.69Å
38	D	97.3	Very high	95.2	Very high	102 Å²	102	52.9 Å²	52.9	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-34.2	175.4	-95.5	-42.1	0	0	0	113.1	L40 R41 V42	D38-L40 VanDerWaalsContact C-N 3.34Å; D38-R41 WeakPolarHBondContact O-CB 3.31Å; D38-R41 PolarHBondContact O-N 2.95Å; D38-R41 IonicContact OD1-CZ 3Å; D38-R41 IonicContact OD1-NE 3.97Å; D38-R41 PolarHBondContact OD1-NE 2.71Å; D38-R41 IonicContact OD1-NH2 3.3Å; D38-R41 PolarHBondContact OD1-NH2 3.03Å; D38-V42 WeakPolarHBondContact O-CG2 3.36Å; D38-V42 PolarHBondContact O-N 3.44Å
39	S	98.3	Very high	95.7	Very high	93 Å²	93	53.5 Å²	53.5	65%	0.65	28%	0.28	S	S	*	.	H	α-helix	trans	-63	-41.1	175.2	55.1	0	0	0	0	112	P37 R41 Q43	P37-S39 PolarHBondContact O-N 2.74Å; S39-R41 VanDerWaalsContact C-N 3.35Å; S39-Q43 WeakPolarHBondContact O-CB 3.22Å; S39-Q43 PolarHBondContact O-N 3.49Å
40	L	98.5	Very high	96.1	Very high	34 Å²	34	58.3 Å²	58.3	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-36.2	175.6	-175.9	60	0	0	0	110.7	F36 P37 D38 Q43 M44 K429	F36-L40 HydrophobicContact CD1-CB 4.47Å; F36-L40 HydrophobicContact CD2-CD2 4.36Å; F36-L40 HydrophobicContact CE1-CB 3.94Å; F36-L40 HydrophobicContact CE1-CD2 4.05Å; F36-L40 HydrophobicContact CE1-CG 3.75Å; F36-L40 HydrophobicContact CE2-CD2 3.79Å; F36-L40 HydrophobicContact CE2-CG 4.25Å; F36-L40 HydrophobicContact CZ-CB 4.28Å; F36-L40 HydrophobicContact CZ-CD2 3.64Å; F36-L40 HydrophobicContact CZ-CG 3.56Å; P37-L40 HydrophobicContact CB-CB 4.17Å; P37-L40 HydrophobicContact CG-CB 4.39Å; P37-L40 WeakPolarHBondContact O-CB 3.33Å; P37-L40 PolarHBondContact O-N 3.09Å; D38-L40 VanDerWaalsContact C-N 3.34Å; L40-Q43 WeakPolarHBondContact O-CB 3.46Å; L40-Q43 PolarHBondContact O-N 2.56Å; L40-M44 HydrophobicContact CD1-CE 4.21Å; L40-M44 WeakPolarHBondContact O-CG 3.33Å; L40-M44 PolarHBondContact O-N 3.33Å; L40-K429 HydrophobicContact CD1-CD 4.24Å; L40-K429 HydrophobicContact CD2-CD 3.97Å; L40-K429 HydrophobicContact CG-CD 4.36Å
41	R	98.5	Very high	96.6	Very high	37 Å²	37	55.7 Å²	55.7	14%	0.14	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-46.3	176	-168.3	-172.4	51.2	67.7	6.2	111.6	F36 P37 D38 S39 Q43 M44 L45 F476	F36-R41 HydrophobicContact CD1-CB 4.04Å; F36-R41 HydrophobicContact CE1-CB 3.88Å; P37-R41 PolarHBondContact O-N 2.69Å; D38-R41 WeakPolarHBondContact O-CB 3.31Å; D38-R41 PolarHBondContact O-N 2.95Å; D38-R41 IonicContact OD1-CZ 3Å; D38-R41 IonicContact OD1-NE 3.97Å; D38-R41 PolarHBondContact OD1-NE 2.71Å; D38-R41 IonicContact OD1-NH2 3.3Å; D38-R41 PolarHBondContact OD1-NH2 3.03Å; S39-R41 VanDerWaalsContact C-N 3.35Å; R41-Q43 VanDerWaalsContact C-N 3.31Å; R41-Q43 PolarHBondContact O-N 2.6Å; R41-M44 PolarHBondContact O-N 3.05Å; R41-L45 WeakPolarHBondContact O-CB 3.31Å; R41-L45 PolarHBondContact O-N 3.16Å; R41-F476 HydrophobicContact CG-CB 4.31Å; R41-F476 HydrophobicContact CG-CD1 3.89Å; R41-F476 PolarHBondContact NH1-O 3.2Å
42	V	98.7	Very high	97.1	Very high	63 Å²	63	50.8 Å²	50.8	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-66	-35.7	175.6	174.2	0	0	0	0	111.3	D38 L45 N46	D38-V42 WeakPolarHBondContact O-CG2 3.36Å; D38-V42 PolarHBondContact O-N 3.44Å; V42-L45 PolarHBondContact O-N 3.5Å; V42-N46 PolarHBondContact O-N 2.89Å; V42-N46 VanDerWaalsContact O-N 3.08Å; V42-N46 PolarHBondContact O-ND2 3.32Å
43	Q	98.8	Very high	97.4	Very high	116 Å²	116	48.9 Å²	48.9	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-46.9	173.4	-174.2	-173.7	0.3	0	0	111.7	S39 L40 R41 N46 A47	S39-Q43 WeakPolarHBondContact O-CB 3.22Å; S39-Q43 PolarHBondContact O-N 3.49Å; L40-Q43 WeakPolarHBondContact O-CB 3.46Å; L40-Q43 PolarHBondContact O-N 2.56Å; R41-Q43 VanDerWaalsContact C-N 3.31Å; R41-Q43 PolarHBondContact O-N 2.6Å; Q43-N46 PolarHBondContact O-N 2.85Å; Q43-A47 WeakPolarHBondContact O-CB 3.41Å; Q43-A47 PolarHBondContact O-N 3Å
44	M	98.8	Very high	97.7	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-66.1	-39	178.2	-65.5	-57.2	93.4	0	0	112.1	F36 L40 R41 N46 A47 T48 K429 I432 F476	F36-M44 HydrophobicContact CZ-CG 4.17Å; L40-M44 HydrophobicContact CD1-CE 4.21Å; L40-M44 WeakPolarHBondContact O-CG 3.33Å; L40-M44 PolarHBondContact O-N 3.33Å; R41-M44 PolarHBondContact O-N 3.05Å; M44-N46 VanDerWaalsContact C-N 3.31Å; M44-N46 PolarHBondContact O-N 3.2Å; M44-A47 PolarHBondContact O-N 3.48Å; M44-T48 PolarHBondContact O-N 3.39Å; M44-T48 PolarHBondContact O-OG1 3.46Å; M44-T48 VanDerWaalsContact O-OG1 3.14Å; M44-K429 HydrophobicContact CG-CB 4.05Å; M44-K429 HydrophobicContact CG-CG 4.35Å; M44-K429 HydrophobicContact SD-CB 3.81Å; M44-K429 HydrophobicContact SD-CD 4.27Å; M44-K429 HydrophobicContact SD-CG 3.63Å; M44-I432 HydrophobicContact CB-CD1 4.12Å; M44-I432 HydrophobicContact SD-CD1 4.19Å; M44-F476 HydrophobicContact CB-CD1 3.68Å; M44-F476 HydrophobicContact CB-CD2 3.72Å; M44-F476 HydrophobicContact CB-CE1 3.65Å; M44-F476 HydrophobicContact CB-CE2 3.74Å; M44-F476 HydrophobicContact CB-CG 3.74Å; M44-F476 HydrophobicContact CB-CZ 3.7Å; M44-F476 HydrophobicContact CG-CD1 4.46Å; M44-F476 HydrophobicContact CG-CE1 4.02Å; M44-F476 HydrophobicContact CG-CE2 4.5Å; M44-F476 HydrophobicContact CG-CZ 4.05Å
45	L	98.8	Very high	98.1	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-54.9	-46.6	172.1	178.3	59.7	0	0	0	112.1	R41 V42 K49 Y473 F476 D477	R41-L45 WeakPolarHBondContact O-CB 3.31Å; R41-L45 PolarHBondContact O-N 3.16Å; V42-L45 PolarHBondContact O-N 3.5Å; L45-K49 PolarHBondContact O-N 3.03Å; L45-K49 VanDerWaalsContact O-N 3.11Å; L45-Y473 HydrophobicContact CD1-CD1 4.42Å; L45-Y473 HydrophobicContact CD1-CD2 3.56Å; L45-Y473 HydrophobicContact CD1-CE1 4.31Å; L45-Y473 HydrophobicContact CD1-CE2 3.43Å; L45-Y473 VanDerWaalsContact CD1-CE2 3.43Å; L45-Y473 HydrophobicContact CD1-CG 4.06Å; L45-Y473 HydrophobicContact CG-CE2 4.34Å; L45-F476 HydrophobicContact CB-CB 3.78Å; L45-F476 HydrophobicContact CD1-CB 4.29Å; L45-D477 HydrophobicContact CD1-CB 3.75Å; L45-D477 HydrophobicContact CD2-CB 4.36Å
46	N	98.8	Very high	98.4	Very high	82 Å²	82	43.5 Å²	43.5	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-68.6	-41.3	177.7	-69.8	-29.4	0	0	0	111.8	V42 Q43 M44 T48 K49 D50	V42-N46 PolarHBondContact O-N 2.89Å; V42-N46 VanDerWaalsContact O-N 3.08Å; V42-N46 PolarHBondContact O-ND2 3.32Å; Q43-N46 PolarHBondContact O-N 2.85Å; M44-N46 VanDerWaalsContact C-N 3.31Å; M44-N46 PolarHBondContact O-N 3.2Å; N46-T48 VanDerWaalsContact C-N 3.34Å; N46-T48 PolarHBondContact O-N 2.68Å; N46-K49 WeakPolarHBondContact O-CB 2.95Å; N46-K49 PolarHBondContact O-N 3.3Å; N46-K49 VanDerWaalsContact O-N 3.15Å; N46-D50 PolarHBondContact O-N 3.39Å
47	A	98.8	Very high	98.6	Very high	27 Å²	27	46.8 Å²	46.8	22%	0.223	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-43	177.4	0	0	0	0	0	112	Q43 M44 D50 M51 I432	Q43-A47 WeakPolarHBondContact O-CB 3.41Å; Q43-A47 PolarHBondContact O-N 3Å; M44-A47 PolarHBondContact O-N 3.48Å; A47-D50 PolarHBondContact O-N 2.97Å; A47-M51 WeakPolarHBondContact O-CB 3.36Å; A47-M51 PolarHBondContact O-N 3.33Å; A47-I432 HydrophobicContact CB-CG2 4.19Å
48	T	98.8	Very high	98.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-38.2	174.9	-52.5	0	0	0	0	112.4	M44 N46 D50 M51 F52 I432 T469 L472	M44-T48 PolarHBondContact O-N 3.39Å; M44-T48 PolarHBondContact O-OG1 3.46Å; M44-T48 VanDerWaalsContact O-OG1 3.14Å; N46-T48 VanDerWaalsContact C-N 3.34Å; N46-T48 PolarHBondContact O-N 2.68Å; T48-D50 VanDerWaalsContact C-N 3.33Å; T48-M51 WeakPolarHBondContact O-CB 3.28Å; T48-M51 PolarHBondContact O-N 2.86Å; T48-F52 PolarHBondContact O-N 3.41Å; T48-I432 WeakPolarHBondContact OG1-CD1 3.41Å; T48-T469 WeakPolarHBondContact CG2-O 3.35Å; T48-L472 HydrophobicContact CG2-CB 3.48Å; T48-L472 VanDerWaalsContact CG2-CB 3.48Å
49	K	98.7	Very high	98.8	Very high	80 Å²	80	40.7 Å²	40.7	35%	0.348	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-44.8	175.1	-175.1	177.9	-179.8	178.8	0	111.1	L45 N46 M51 F52 Y53 Y473	L45-K49 PolarHBondContact O-N 3.03Å; L45-K49 VanDerWaalsContact O-N 3.11Å; N46-K49 WeakPolarHBondContact O-CB 2.95Å; N46-K49 PolarHBondContact O-N 3.3Å; N46-K49 VanDerWaalsContact O-N 3.15Å; K49-M51 VanDerWaalsContact C-N 3.35Å; K49-F52 PolarHBondContact O-N 3.03Å; K49-Y53 HydrophobicContact CD-CE2 4.4Å; K49-Y53 HydrophobicContact CG-CD2 3.78Å; K49-Y53 HydrophobicContact CG-CE2 3.76Å; K49-Y53 VanDerWaalsContact O-CD2 3.25Å; K49-Y53 WeakPolarHBondContact O-CD2 3.14Å; K49-Y53 PolarHBondContact O-N 3.33Å; K49-Y473 HydrophobicContact CB-CD2 4.32Å; K49-Y473 HydrophobicContact CB-CE2 4.22Å
50	D	98.8	Very high	98.8	Very high	111 Å²	111	37.9 Å²	37.9	59%	0.594	19%	0.194	S	C	*	.	H	α-helix	trans	-64.5	-40.4	177.3	-68.3	-18.8	0	0	0	111.3	N46 A47 T48 Y53 H54	N46-D50 PolarHBondContact O-N 3.39Å; A47-D50 PolarHBondContact O-N 2.97Å; T48-D50 VanDerWaalsContact C-N 3.33Å; D50-Y53 PolarHBondContact O-N 3.36Å; D50-H54 VanDerWaalsContact O-CB 3.29Å; D50-H54 WeakPolarHBondContact O-CB 3.45Å; D50-H54 PolarHBondContact O-N 3.47Å
51	M	98.9	Very high	98.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-50	173.8	172.1	-177.5	-69.8	0	0	112	A47 T48 K49 Y53 H54 A55 I432 I435 E436 Y445 F464 T469 L472	A47-M51 WeakPolarHBondContact O-CB 3.36Å; A47-M51 PolarHBondContact O-N 3.33Å; T48-M51 WeakPolarHBondContact O-CB 3.28Å; T48-M51 PolarHBondContact O-N 2.86Å; K49-M51 VanDerWaalsContact C-N 3.35Å; M51-Y53 PolarHBondContact O-N 3.28Å; M51-H54 PolarHBondContact O-N 2.99Å; M51-A55 PolarHBondContact O-N 3.07Å; M51-I432 HydrophobicContact CE-CG2 4.12Å; M51-I435 HydrophobicContact CE-CB 4.07Å; M51-I435 HydrophobicContact CE-CG2 3.73Å; M51-I435 HydrophobicContact SD-CG2 4.2Å; M51-E436 HydrophobicContact CE-CG 3.78Å; M51-E436 VanDerWaalsContact CE-OE1 3.28Å; M51-E436 WeakPolarHBondContact CE-OE1 3.2Å; M51-Y445 VanDerWaalsContact CA-OH 3.32Å; M51-Y445 WeakPolarHBondContact CA-OH 3.4Å; M51-Y445 HydrophobicContact CB-CE2 4.43Å; M51-Y445 HydrophobicContact CE-CE1 4.11Å; M51-Y445 HydrophobicContact CG-CD2 4.46Å; M51-Y445 HydrophobicContact CG-CE1 4.04Å; M51-Y445 HydrophobicContact CG-CE2 3.72Å; M51-Y445 VanDerWaalsContact CG-CZ 3.49Å; M51-Y445 WeakPolarHBondContact CG-OH 3.13Å; M51-Y445 WeakPolarHBondContact O-CE2 3.37Å; M51-F464 HydrophobicContact CG-CE1 4.4Å; M51-F464 HydrophobicContact CG-CZ 3.82Å; M51-F464 HydrophobicContact SD-CE2 4.4Å; M51-F464 HydrophobicContact SD-CZ 3.92Å; M51-T469 HydrophobicContact CG-CG2 3.83Å; M51-T469 HydrophobicContact SD-CG2 3.93Å; M51-L472 HydrophobicContact SD-CD1 4.3Å
52	F	98.9	Very high	98.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-49.6	176	174.3	-90.3	0	0	0	111.6	T48 K49 H54 A55 Y56 T106 L107 M110 L465 T469	T48-F52 PolarHBondContact O-N 3.41Å; K49-F52 PolarHBondContact O-N 3.03Å; F52-H54 PolarHBondContact O-N 3.13Å; F52-A55 PolarHBondContact O-N 3.11Å; F52-Y56 HydrophobicContact CE1-CD1 4.41Å; F52-Y56 HydrophobicContact CE1-CD2 4.28Å; F52-Y56 AromaticContact CE1-CG 3.9Å; F52-Y56 HydrophobicContact CE1-CG 3.9Å; F52-Y56 AromaticContact CZ-CD2 3.9Å; F52-Y56 HydrophobicContact CZ-CD2 3.9Å; F52-Y56 AromaticContact CZ-CG 3.98Å; F52-Y56 HydrophobicContact CZ-CG 3.98Å; F52-Y56 WeakPolarHBondContact O-CB 3.37Å; F52-Y56 PolarHBondContact O-N 2.97Å; F52-T106 HydrophobicContact CD2-CG2 3.7Å; F52-T106 HydrophobicContact CE2-CG2 3.4Å; F52-T106 HydrophobicContact CZ-CG2 4.03Å; F52-L107 HydrophobicContact CE1-CD2 3.58Å; F52-L107 HydrophobicContact CE1-CG 4.49Å; F52-L107 HydrophobicContact CZ-CD2 3.72Å; F52-L107 HydrophobicContact CZ-CG 4.17Å; F52-M110 HydrophobicContact CB-CE 3.42Å; F52-M110 VanDerWaalsContact CB-CE 3.42Å; F52-M110 HydrophobicContact CB-SD 3.86Å; F52-M110 HydrophobicContact CD1-CE 4.1Å; F52-M110 HydrophobicContact CD1-SD 3.54Å; F52-M110 VanDerWaalsContact CD1-SD 3.54Å; F52-M110 HydrophobicContact CD2-CE 3.8Å; F52-M110 HydrophobicContact CD2-SD 4.25Å; F52-M110 HydrophobicContact CE1-SD 4.17Å; F52-M110 HydrophobicContact CG-CE 3.48Å; F52-M110 VanDerWaalsContact CG-CE 3.48Å; F52-M110 HydrophobicContact CG-SD 3.6Å; F52-L465 HydrophobicContact CD2-CD2 3.75Å; F52-L465 HydrophobicContact CE2-CB 4.14Å; F52-L465 HydrophobicContact CE2-CD2 3.89Å; F52-L465 WeakPolarHBondContact CE2-O 3.39Å; F52-L465 HydrophobicContact CG-CD2 4.45Å; F52-T469 HydrophobicContact CB-CG2 4.43Å; F52-T469 WeakPolarHBondContact CD2-OG1 3.35Å
53	Y	98.9	Very high	98.8	Very high	32 Å²	32	44.8 Å²	44.8	13%	0.125	21%	0.212	C	C	.	.	H	α-helix	trans	-71.5	-28.5	-176.7	-79.5	-63.1	0	0	0	113.7	K49 D50 M51 Y56 N57 L107 N112	K49-Y53 HydrophobicContact CD-CE2 4.4Å; K49-Y53 HydrophobicContact CG-CD2 3.78Å; K49-Y53 HydrophobicContact CG-CE2 3.76Å; K49-Y53 VanDerWaalsContact O-CD2 3.25Å; K49-Y53 WeakPolarHBondContact O-CD2 3.14Å; K49-Y53 PolarHBondContact O-N 3.33Å; D50-Y53 PolarHBondContact O-N 3.36Å; M51-Y53 PolarHBondContact O-N 3.28Å; Y53-Y56 HydrophobicContact CD1-CD1 4.39Å; Y53-N57 WeakPolarHBondContact O-CB 3.01Å; Y53-N57 PolarHBondContact O-N 2.02Å; Y53-N57 PolarHBondContact O-ND2 3.24Å; Y53-L107 HydrophobicContact CE1-CD2 4.31Å; Y53-N112 WeakPolarHBondContact OH-CB 3.47Å; Y53-N112 PolarHBondContact OH-ND2 2.93Å
54	H	98.9	Very high	98.7	Very high	49 Å²	49	41.5 Å²	41.5	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-50.1	170.9	179.3	60.4	0	0	0	111	D50 M51 F52 S58 T441 D442 G444 Y445	D50-H54 VanDerWaalsContact O-CB 3.29Å; D50-H54 WeakPolarHBondContact O-CB 3.45Å; D50-H54 PolarHBondContact O-N 3.47Å; M51-H54 PolarHBondContact O-N 2.99Å; F52-H54 PolarHBondContact O-N 3.13Å; H54-S58 VanDerWaalsContact O-CB 3.32Å; H54-S58 WeakPolarHBondContact O-CB 3.41Å; H54-S58 PolarHBondContact O-N 3.26Å; H54-S58 PolarHBondContact O-OG 3.16Å; H54-T441 PolarHBondContact CE1-O 3.2Å; H54-T441 PolarHBondContact NE2-O 3.41Å; H54-D442 PolarHBondContact CE1-O 2.95Å; H54-D442 VanDerWaalsContact CE1-O 3.29Å; H54-G444 PolarHBondContact NE2-N 3.02Å; H54-Y445 HydrophobicContact CB-CE2 4.37Å; H54-Y445 AromaticContact CD2-CE2 3.63Å; H54-Y445 AromaticContact CD2-CZ 4Å
55	A	98.9	Very high	98.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-50.2	178.4	0	0	0	0	0	112.8	M51 F52 S58 Y59 Y445 M460 F464 L465	M51-A55 PolarHBondContact O-N 3.07Å; F52-A55 PolarHBondContact O-N 3.11Å; A55-S58 PolarHBondContact O-N 2.92Å; A55-Y59 PolarHBondContact O-N 3.36Å; A55-Y445 HydrophobicContact CB-CD2 3.99Å; A55-Y445 HydrophobicContact CB-CE2 4.19Å; A55-M460 HydrophobicContact CB-CE 3.85Å; A55-M460 HydrophobicContact CB-SD 3.6Å; A55-M460 VanDerWaalsContact CB-SD 3.6Å; A55-F464 HydrophobicContact CB-CD1 4.31Å; A55-F464 HydrophobicContact CB-CE1 4.01Å; A55-L465 HydrophobicContact CB-CD2 3.56Å; A55-L465 HydrophobicContact CB-CG 4.42Å
56	Y	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-48.3	-176.9	178.1	-95.5	0	0	0	111.9	F52 Y53 S58 Y59 M60 L107 E115 L465	F52-Y56 HydrophobicContact CE1-CD1 4.41Å; F52-Y56 HydrophobicContact CE1-CD2 4.28Å; F52-Y56 AromaticContact CE1-CG 3.9Å; F52-Y56 HydrophobicContact CE1-CG 3.9Å; F52-Y56 AromaticContact CZ-CD2 3.9Å; F52-Y56 HydrophobicContact CZ-CD2 3.9Å; F52-Y56 AromaticContact CZ-CG 3.98Å; F52-Y56 HydrophobicContact CZ-CG 3.98Å; F52-Y56 WeakPolarHBondContact O-CB 3.37Å; F52-Y56 PolarHBondContact O-N 2.97Å; Y53-Y56 HydrophobicContact CD1-CD1 4.39Å; Y56-S58 VanDerWaalsContact C-N 3.25Å; Y56-S58 PolarHBondContact O-N 2.95Å; Y56-Y59 PolarHBondContact O-N 3.16Å; Y56-M60 HydrophobicContact CD1-CG 4.08Å; Y56-M60 HydrophobicContact CE1-CG 3.59Å; Y56-M60 HydrophobicContact CE1-SD 4.43Å; Y56-M60 HydrophobicContact CE2-CG 4.19Å; Y56-M60 HydrophobicContact CE2-SD 4.2Å; Y56-M60 WeakPolarHBondContact O-CG 3.25Å; Y56-M60 PolarHBondContact O-N 3.09Å; Y56-L107 HydrophobicContact CD1-CD2 4.4Å; Y56-L107 HydrophobicContact CE1-CD2 4.12Å; Y56-L107 HydrophobicContact CE2-CD1 4.04Å; Y56-L107 HydrophobicContact CE2-CD2 4.28Å; Y56-L107 HydrophobicContact CE2-CG 4.44Å; Y56-E115 HydrophobicContact CE1-CG 3.95Å; Y56-E115 VanDerWaalsContact CE1-OE1 3.28Å; Y56-E115 WeakPolarHBondContact CE1-OE1 3.36Å; Y56-E115 PolarHBondContact OH-OE1 3.46Å; Y56-L465 HydrophobicContact CD2-CD1 4.48Å
57	N	98.9	Very high	98.6	Very high	84 Å²	84	44.1 Å²	44.1	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-32.9	-179.5	-66.9	-28.9	0	0	0	111.8	Y53 M60 R61	Y53-N57 WeakPolarHBondContact O-CB 3.01Å; Y53-N57 PolarHBondContact O-N 2.02Å; Y53-N57 PolarHBondContact O-ND2 3.24Å; N57-M60 PolarHBondContact O-N 3.02Å; N57-R61 VanDerWaalsContact O-CB 3.26Å; N57-R61 WeakPolarHBondContact O-CB 3.47Å; N57-R61 PolarHBondContact O-N 2.89Å
58	S	98.9	Very high	98.6	Very high	13 Å²	13	42.9 Å²	42.9	9%	0.091	20%	0.201	C	C	.	.	H	α-helix	trans	-70.4	-41.1	175.4	-62	0	0	0	0	111.9	H54 A55 Y56 M60 R61 Y62 C443	H54-S58 VanDerWaalsContact O-CB 3.32Å; H54-S58 WeakPolarHBondContact O-CB 3.41Å; H54-S58 PolarHBondContact O-N 3.26Å; H54-S58 PolarHBondContact O-OG 3.16Å; A55-S58 PolarHBondContact O-N 2.92Å; Y56-S58 VanDerWaalsContact C-N 3.25Å; Y56-S58 PolarHBondContact O-N 2.95Å; S58-M60 VanDerWaalsContact C-N 3.34Å; S58-M60 PolarHBondContact O-N 3.13Å; S58-R61 PolarHBondContact O-N 3.38Å; S58-Y62 WeakPolarHBondContact O-CB 3.3Å; S58-Y62 VanDerWaalsContact O-CD2 3.25Å; S58-Y62 WeakPolarHBondContact O-CD2 2.89Å; S58-Y62 PolarHBondContact O-N 3.34Å; S58-C443 WeakPolarHBondContact CB-O 3.47Å; S58-C443 PolarHBondContact OG-O 2.88Å
59	Y	98.8	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-49.1	169.9	167.2	-95.9	0	0	0	111	A55 Y56 R61 Y62 A63 M64 K66 L69 L100	A55-Y59 PolarHBondContact O-N 3.36Å; Y56-Y59 PolarHBondContact O-N 3.16Å; Y59-R61 PolarHBondContact O-N 2.97Å; Y59-Y62 PolarHBondContact O-N 3.44Å; Y59-A63 HydrophobicContact CD2-CB 3.48Å; Y59-A63 VanDerWaalsContact CD2-CB 3.48Å; Y59-A63 HydrophobicContact CE2-CB 3.82Å; Y59-A63 HydrophobicContact CG-CB 4.3Å; Y59-A63 WeakPolarHBondContact O-CA 3.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.27Å; Y59-A63 PolarHBondContact O-N 3.07Å; Y59-M64 HydrophobicContact CE1-CB 4.29Å; Y59-M64 PolarHBondContact O-N 3.11Å; Y59-K66 WeakPolarHBondContact CE2-O 3.41Å; Y59-K66 PolarHBondContact OH-O 3.4Å; Y59-L69 HydrophobicContact CD2-CB 4.28Å; Y59-L100 HydrophobicContact CE1-CB 3.87Å
60	M	98.8	Very high	98.6	Very high	33 Å²	33	40.1 Å²	40.1	16%	0.163	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-29.6	178.5	-67.6	-48.6	-62.6	0	0	113.2	Y56 N57 S58 M64 L100 L122	Y56-M60 HydrophobicContact CD1-CG 4.08Å; Y56-M60 HydrophobicContact CE1-CG 3.59Å; Y56-M60 HydrophobicContact CE1-SD 4.43Å; Y56-M60 HydrophobicContact CE2-CG 4.19Å; Y56-M60 HydrophobicContact CE2-SD 4.2Å; Y56-M60 WeakPolarHBondContact O-CG 3.25Å; Y56-M60 PolarHBondContact O-N 3.09Å; N57-M60 PolarHBondContact O-N 3.02Å; S58-M60 VanDerWaalsContact C-N 3.34Å; S58-M60 PolarHBondContact O-N 3.13Å; M60-M64 HydrophobicContact CE-CB 4.43Å; M60-M64 HydrophobicContact CE-CG 4.08Å; M60-L100 HydrophobicContact CE-CD1 4.19Å; M60-L100 HydrophobicContact SD-CD1 3.85Å; M60-L122 HydrophobicContact CE-CD1 3.43Å; M60-L122 VanDerWaalsContact CE-CD1 3.43Å
61	R	98.5	Very high	98.6	Very high	191 Å²	191	34.8 Å²	34.8	72%	0.721	16%	0.161	S	C	*	.	H	α-helix	trans	-86.4	-39.6	-178.2	-178.3	173.1	-178.8	-175.3	0.4	113.6	N57 S58 Y59	N57-R61 VanDerWaalsContact O-CB 3.26Å; N57-R61 WeakPolarHBondContact O-CB 3.47Å; N57-R61 PolarHBondContact O-N 2.89Å; S58-R61 PolarHBondContact O-N 3.38Å; Y59-R61 PolarHBondContact O-N 2.97Å
62	Y	98.6	Very high	98.6	Very high	85 Å²	85	38.3 Å²	38.3	33%	0.333	18%	0.179	S	C	.	.	H	α-helix	trans	-114.9	-21.7	-165.8	-62.3	-67.2	0	0	0	114.1	S58 Y59 C74 G76 C443	S58-Y62 WeakPolarHBondContact O-CB 3.3Å; S58-Y62 VanDerWaalsContact O-CD2 3.25Å; S58-Y62 WeakPolarHBondContact O-CD2 2.89Å; S58-Y62 PolarHBondContact O-N 3.34Å; Y59-Y62 PolarHBondContact O-N 3.44Å; Y62-C74 WeakPolarHBondContact CB-O 3.34Å; Y62-C74 HydrophobicContact CD1-CB 4.26Å; Y62-C74 HydrophobicContact CD2-CB 4.29Å; Y62-C74 HydrophobicContact CE1-CB 4.48Å; Y62-C74 HydrophobicContact CG-CB 4.16Å; Y62-G76 PolarHBondContact O-N 2.74Å; Y62-C443 HydrophobicContact CD2-CB 4.32Å; Y62-C443 HydrophobicContact CE2-CB 4.4Å; Y62-C443 VanDerWaalsContact CE2-SG 3.55Å
63	A	98.4	Very high	98.5	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.025	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-38.8	-170.9	0	0	0	0	0	114.5	Y59 K66 E68 L69 G76	Y59-A63 HydrophobicContact CD2-CB 3.48Å; Y59-A63 VanDerWaalsContact CD2-CB 3.48Å; Y59-A63 HydrophobicContact CE2-CB 3.82Å; Y59-A63 HydrophobicContact CG-CB 4.3Å; Y59-A63 WeakPolarHBondContact O-CA 3.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.27Å; Y59-A63 PolarHBondContact O-N 3.07Å; A63-K66 WeakPolarHBondContact O-CA 3.13Å; A63-K66 VanDerWaalsContact O-CB 3.23Å; A63-K66 WeakPolarHBondContact O-CB 2.95Å; A63-K66 PolarHBondContact O-N 2.84Å; A63-E68 WeakPolarHBondContact CB-O 3.39Å; A63-L69 HydrophobicContact CB-CB 3.96Å; A63-L69 HydrophobicContact CB-CD1 3.9Å; A63-G76 VanDerWaalsContact CB-CA 3.47Å
64	M	98	Very high	98.5	Very high	48 Å²	48	43.6 Å²	43.6	24%	0.236	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	130.8	178.9	-169.3	-73.7	167	0	0	110.8	Y59 M60 N126	Y59-M64 HydrophobicContact CE1-CB 4.29Å; Y59-M64 PolarHBondContact O-N 3.11Å; M60-M64 HydrophobicContact CE-CB 4.43Å; M60-M64 HydrophobicContact CE-CG 4.08Å; M64-N126 HydrophobicContact CE-CB 3.93Å
65	P	97	Very high	98.5	Very high	71 Å²	71	44.5 Å²	44.5	46%	0.461	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.3	9.9	12.6	37	-38	0	0	0	115.8	S97	P65-S97 WeakPolarHBondContact O-CA 3.36Å; P65-S97 WeakPolarHBondContact O-CB 3.44Å; P65-S97 PolarHBondContact O-OG 2.89Å
66	K	98	Very high	98.5	Very high	100 Å²	100	44.9 Å²	44.9	44%	0.435	23%	0.225	S	C	.	.	S	Bend	trans	-66.9	166.9	178.6	-59	-176.1	177.1	-175.3	0	111.6	Y59 A63 G76 R77	Y59-K66 WeakPolarHBondContact CE2-O 3.41Å; Y59-K66 PolarHBondContact OH-O 3.4Å; A63-K66 WeakPolarHBondContact O-CA 3.13Å; A63-K66 VanDerWaalsContact O-CB 3.23Å; A63-K66 WeakPolarHBondContact O-CB 2.95Å; A63-K66 PolarHBondContact O-N 2.84Å; K66-G76 WeakPolarHBondContact CD-O 3.48Å; K66-G76 PolarHBondContact NZ-O 3.03Å; K66-R77 WeakPolarHBondContact CB-O 3.26Å
67	D	98.5	Very high	98.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	-70.1	-48.4	-170.9	-66.9	-41.9	0	0	0	112.9	R77 L93 G94 D95 Y96 S97 L98 S99	D67-R77 PolarHBondContact N-O 3.18Å; D67-R77 VanDerWaalsContact N-O 3.07Å; D67-L93 HydrophobicContact CB-CB 4.26Å; D67-L93 HydrophobicContact CB-CD2 3.62Å; D67-L93 HydrophobicContact CB-CG 4.37Å; D67-G94 PolarHBondContact OD2-N 2.95Å; D67-D95 VanDerWaalsContact OD2-CA 3.3Å; D67-D95 WeakPolarHBondContact OD2-CA 3.41Å; D67-D95 PolarHBondContact OD2-N 2.99Å; D67-Y96 PolarHBondContact OD1-N 3.41Å; D67-S97 PolarHBondContact OD1-N 2.87Å; D67-L98 HydrophobicContact CB-CB 3.76Å; D67-L98 PolarHBondContact OD1-N 3.34Å; D67-L98 VanDerWaalsContact OD1-N 3.14Å; D67-S99 WeakPolarHBondContact O-CB 3.3Å; D67-S99 PolarHBondContact O-N 3.07Å; D67-S99 PolarHBondContact O-OG 3.18Å
68	E	98.5	Very high	98.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	171.7	-175.3	-75	-175.9	166.4	0	0	112.2	A63 G76 R77 L93 L98 R459 E461 S462	A63-E68 WeakPolarHBondContact CB-O 3.39Å; E68-G76 CarbonylContact O-C 3.59Å; E68-G76 WeakPolarHBondContact O-CA 3.4Å; E68-R77 HydrophobicContact CB-CB 4.33Å; E68-R77 PolarHBondContact N-O 2.93Å; E68-R77 PolarHBondContact O-N 3.4Å; E68-L93 HydrophobicContact CB-CD2 4.37Å; E68-L93 HydrophobicContact CG-CD2 3.68Å; E68-L98 HydrophobicContact CG-CD2 4.46Å; E68-R459 IonicContact OE1-NH2 2.75Å; E68-R459 IonicContact OE2-CZ 3.73Å; E68-R459 IonicContact OE2-NE 2.89Å; E68-R459 PolarHBondContact OE2-NE 3.35Å; E68-R459 VanDerWaalsContact OE2-NE 3.11Å; E68-R459 IonicContact OE2-NH2 3.06Å; E68-R459 PolarHBondContact OE2-NH2 2.76Å; E68-E461 WeakPolarHBondContact OE1-CA 3.22Å; E68-S462 PolarHBondContact OE1-N 2.87Å
69	L	98.6	Very high	98.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138	174.9	173.9	68.2	0	0	0	109.9	Y59 A63 P71 C443 M460	Y59-L69 HydrophobicContact CD2-CB 4.28Å; A63-L69 HydrophobicContact CB-CB 3.96Å; A63-L69 HydrophobicContact CB-CD1 3.9Å; L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.33Å; L69-C443 WeakPolarHBondContact CD2-O 3.48Å; L69-M460 HydrophobicContact CB-CE 4.11Å; L69-M460 HydrophobicContact CD2-CE 3.81Å; L69-M460 HydrophobicContact CG-CE 4.49Å; L69-M460 PolarHBondContact O-N 3.22Å; L69-M460 VanDerWaalsContact O-N 3.15Å
70	D	98.6	Very high	98.1	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.112	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	99.8	165.3	-69.7	3.3	0	0	0	107.1	I72 C74 V75 R77 D458	D70-I72 PolarHBondContact O-N 2.8Å; D70-C74 WeakPolarHBondContact O-CA 3.35Å; D70-C74 PolarHBondContact O-N 3.24Å; D70-V75 HydrophobicContact CB-CG2 3.84Å; D70-V75 WeakPolarHBondContact CB-O 3.38Å; D70-V75 PolarHBondContact N-O 3.34Å; D70-V75 PolarHBondContact O-N 3.33Å; D70-R77 VanDerWaalsContact CG-CZ 3.43Å; D70-R77 WeakPolarHBondContact OD1-CB 3.1Å; D70-R77 IonicContact OD1-CZ 3.71Å; D70-R77 IonicContact OD1-NE 3.39Å; D70-R77 PolarHBondContact OD1-NE 3.04Å; D70-R77 IonicContact OD1-NH1 3.4Å; D70-R77 PolarHBondContact OD1-NH1 3.29Å; D70-R77 VanDerWaalsContact OD1-NH1 3.13Å; D70-R77 IonicContact OD1-NH2 3.78Å; D70-R77 PolarHBondContact OD1-NH2 3.1Å; D70-R77 IonicContact OD2-CZ 3.38Å; D70-R77 IonicContact OD2-NE 3.56Å; D70-R77 IonicContact OD2-NH2 3.68Å; D70-R77 PolarHBondContact OD2-NH2 2.8Å; D70-D458 WeakPolarHBondContact CA-OD1 3.18Å
71	P	98.6	Very high	97.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-19.1	-164.5	34.1	-40.8	0	0	0	114.2	L69 T441 C443 Y445 A446 D458 M460	L69-P71 VanDerWaalsContact O-CD 3.28Å; L69-P71 WeakPolarHBondContact O-CD 3.33Å; P71-T441 VanDerWaalsContact C-OG1 3.26Å; P71-T441 HydrophobicContact CB-CG2 4.39Å; P71-T441 WeakPolarHBondContact CB-OG1 3.24Å; P71-T441 WeakPolarHBondContact O-CB 3.37Å; P71-T441 PolarHBondContact O-OG1 3.34Å; P71-C443 WeakPolarHBondContact O-CB 3.45Å; P71-Y445 WeakPolarHBondContact CG-O 3.42Å; P71-A446 HydrophobicContact CG-CB 3.9Å; P71-D458 WeakPolarHBondContact CD-OD1 3.33Å; P71-M460 HydrophobicContact CB-CB 4.41Å; P71-M460 HydrophobicContact CG-CB 4.05Å
72	I	98.6	Very high	97.8	Very high	74 Å²	74	47 Å²	47	38%	0.379	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-48	175.8	-56.2	177	0	0	0	109.6	D70 T441 A446 L456 D458	D70-I72 PolarHBondContact O-N 2.8Å; I72-T441 HydrophobicContact CG1-CG2 3.87Å; I72-A446 HydrophobicContact CD1-CB 4.2Å; I72-A446 HydrophobicContact CG1-CB 4.03Å; I72-L456 HydrophobicContact CD1-CB 3.81Å; I72-L456 HydrophobicContact CD1-CD1 4.5Å; I72-D458 WeakPolarHBondContact CA-OD1 3.25Å; I72-D458 HydrophobicContact CB-CB 4.15Å; I72-D458 VanDerWaalsContact CB-OD1 3.29Å; I72-D458 WeakPolarHBondContact CB-OD1 3.21Å; I72-D458 HydrophobicContact CD1-CB 3.92Å; I72-D458 HydrophobicContact CG1-CB 4.17Å; I72-D458 PolarHBondContact N-OD1 3.38Å
73	N	98.4	Very high	97.5	Very high	110 Å²	110	47.3 Å²	47.3	59%	0.588	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.9	-178.2	-70.6	-49.1	0	0	0	114	V75 D458	N73-V75 HydrophobicContact CB-CG2 4.08Å; N73-V75 PolarHBondContact O-N 3.14Å; N73-D458 VanDerWaalsContact CB-OD2 3.3Å; N73-D458 WeakPolarHBondContact CB-OD2 3.29Å; N73-D458 VanDerWaalsContact CG-OD2 3.25Å; N73-D458 PolarHBondContact N-OD2 3.44Å; N73-D458 PolarHBondContact ND2-OD2 2.99Å
74	C	98.6	Very high	97.1	Very high	32 Å²	32	51.4 Å²	51.4	22%	0.216	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	47.4	179.9	-51.4	0	0	0	0	112.8	Y62 D70 C443	Y62-C74 WeakPolarHBondContact CB-O 3.34Å; Y62-C74 HydrophobicContact CD1-CB 4.26Å; Y62-C74 HydrophobicContact CD2-CB 4.29Å; Y62-C74 HydrophobicContact CE1-CB 4.48Å; Y62-C74 HydrophobicContact CG-CB 4.16Å; D70-C74 WeakPolarHBondContact O-CA 3.35Å; D70-C74 PolarHBondContact O-N 3.24Å; C74-C443 HydrophobicContact CB-CB 3.77Å; C74-C443 WeakPolarHBondContact CB-SG 3.43Å; C74-C443 WeakPolarHBondContact SG-CB 3.45Å; C74-C443 CovalentContact SG-SG 2.02Å; C74-C443 PolarHBondContact SG-SG 3.37Å
75	V	98.5	Very high	96.7	Very high	68 Å²	68	55.4 Å²	55.4	41%	0.412	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.6	179.7	-66.1	0	0	0	0	111	D70 N73	D70-V75 HydrophobicContact CB-CG2 3.84Å; D70-V75 WeakPolarHBondContact CB-O 3.38Å; D70-V75 PolarHBondContact N-O 3.34Å; D70-V75 PolarHBondContact O-N 3.33Å; N73-V75 HydrophobicContact CB-CG2 4.08Å; N73-V75 PolarHBondContact O-N 3.14Å
76	G	98.3	Very high	96.5	Very high	9 Å²	9	54.2 Å²	54.2	9%	0.093	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	147.4	175	0	0	0	0	0	113.6	Y62 A63 K66 E68	Y62-G76 PolarHBondContact O-N 2.74Å; A63-G76 VanDerWaalsContact CB-CA 3.47Å; K66-G76 WeakPolarHBondContact CD-O 3.48Å; K66-G76 PolarHBondContact NZ-O 3.03Å; E68-G76 CarbonylContact O-C 3.59Å; E68-G76 WeakPolarHBondContact O-CA 3.4Å
77	R	97.3	Very high	96.2	Very high	49 Å²	49	53 Å²	53	19%	0.185	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.4	175.7	174.5	-179.8	-75.1	147.4	6.7	111.1	K66 D67 E68 D70 L93 D458 R459	K66-R77 WeakPolarHBondContact CB-O 3.26Å; D67-R77 PolarHBondContact N-O 3.18Å; D67-R77 VanDerWaalsContact N-O 3.07Å; E68-R77 HydrophobicContact CB-CB 4.33Å; E68-R77 PolarHBondContact N-O 2.93Å; E68-R77 PolarHBondContact O-N 3.4Å; D70-R77 VanDerWaalsContact CG-CZ 3.43Å; D70-R77 WeakPolarHBondContact OD1-CB 3.1Å; D70-R77 IonicContact OD1-CZ 3.71Å; D70-R77 IonicContact OD1-NE 3.39Å; D70-R77 PolarHBondContact OD1-NE 3.04Å; D70-R77 IonicContact OD1-NH1 3.4Å; D70-R77 PolarHBondContact OD1-NH1 3.29Å; D70-R77 VanDerWaalsContact OD1-NH1 3.13Å; D70-R77 IonicContact OD1-NH2 3.78Å; D70-R77 PolarHBondContact OD1-NH2 3.1Å; D70-R77 IonicContact OD2-CZ 3.38Å; D70-R77 IonicContact OD2-NE 3.56Å; D70-R77 IonicContact OD2-NH2 3.68Å; D70-R77 PolarHBondContact OD2-NH2 2.8Å; R77-L93 HydrophobicContact CG-CD1 3.57Å; R77-D458 PolarHBondContact NH1-O 3.39Å; R77-D458 VanDerWaalsContact NH1-O 3.13Å; R77-D458 PolarHBondContact NH2-O 3.47Å; R77-R459 VanDerWaalsContact NH1-CD 3.34Å
78	G	97.1	Very high	95.9	Very high	18 Å²	18	59 Å²	59	19%	0.186	32%	0.316	C	S	.	.			trans	-137.6	-162.9	172.5	0	0	0	0	0	110	L93	G78-L93 WeakPolarHBondContact O-CD1 3.47Å
79	P	96.9	Very high	95.7	Very high	25 Å²	25	60.7 Å²	60.7	16%	0.162	32%	0.324	C	S	.	.			trans	-56.9	140.8	-179.1	-6.8	8.5	0	0	0	112.6	R81 L93 D95	P79-R81 VanDerWaalsContact C-N 3.33Å; P79-R81 PolarHBondContact O-N 3.09Å; P79-L93 VanDerWaalsContact CB-O 3.31Å; P79-L93 WeakPolarHBondContact CB-O 3.47Å; P79-L93 WeakPolarHBondContact CG-O 3.14Å; P79-D95 HydrophobicContact CG-CB 3.86Å
80	D	96.3	Very high	95.5	Very high	30 Å²	30	61.3 Å²	61.3	16%	0.16	33%	0.327	C	S	.	.			trans	-75.3	86.4	170.7	-173.5	-11.3	0	0	0	109.5	S82 H83 N86 I89 N90	D80-S82 PolarHBondContact O-N 3.27Å; D80-S82 PolarHBondContact OD1-N 3.16Å; D80-S82 VanDerWaalsContact OD1-N 3.09Å; D80-S82 PolarHBondContact OD1-OG 2.94Å; D80-H83 CarbonylContact O-C 3.59Å; D80-H83 VanDerWaalsContact O-C 3.32Å; D80-H83 PolarHBondContact O-N 3.33Å; D80-H83 IonicContact OD1-CG 3.44Å; D80-H83 PolarHBondContact OD1-N 3.17Å; D80-H83 IonicContact OD1-ND1 3.12Å; D80-H83 PolarHBondContact OD1-ND1 3.3Å; D80-H83 IonicContact OD2-CG 3.54Å; D80-H83 IonicContact OD2-ND1 2.68Å; D80-H83 PolarHBondContact OD2-ND1 3.06Å; D80-N86 HydrophobicContact CB-CB 4.3Å; D80-N86 PolarHBondContact OD2-ND2 3.08Å; D80-I89 HydrophobicContact CB-CD1 4.46Å; D80-I89 HydrophobicContact CB-CG2 4.28Å; D80-N90 PolarHBondContact N-OD1 3.35Å; D80-N90 PolarHBondContact O-ND2 3.44Å
81	R	94.8	Very high	95.4	Very high	154 Å²	154	61.1 Å²	61.1	58%	0.581	33%	0.326	S	S	*	.	S	Bend	trans	-68.2	-18.8	178.6	-61.4	-173.4	-177.6	-87.2	-0.6	113.4	P79 D95	P79-R81 VanDerWaalsContact C-N 3.33Å; P79-R81 PolarHBondContact O-N 3.09Å; R81-D95 IonicContact NH2-OD2 3.32Å; R81-D95 PolarHBondContact NH2-OD2 2.91Å
82	S	95.3	Very high	95.3	Very high	90 Å²	90	61.5 Å²	61.5	63%	0.629	33%	0.329	S	S	*	.	S	Bend	trans	-79.8	-29	177	37	0	0	0	0	113	D80	D80-S82 PolarHBondContact O-N 3.27Å; D80-S82 PolarHBondContact OD1-N 3.16Å; D80-S82 VanDerWaalsContact OD1-N 3.09Å; D80-S82 PolarHBondContact OD1-OG 2.94Å
83	H	94.1	Very high	95.3	Very high	91 Å²	91	58 Å²	58	42%	0.421	31%	0.311	S	S	.	.			trans	-130.3	80.3	178.5	-50.8	95.6	0	0	0	109.6	D80 E85 N86 N90	D80-H83 CarbonylContact O-C 3.59Å; D80-H83 VanDerWaalsContact O-C 3.32Å; D80-H83 PolarHBondContact O-N 3.33Å; D80-H83 IonicContact OD1-CG 3.44Å; D80-H83 PolarHBondContact OD1-N 3.17Å; D80-H83 IonicContact OD1-ND1 3.12Å; D80-H83 PolarHBondContact OD1-ND1 3.3Å; D80-H83 IonicContact OD2-CG 3.54Å; D80-H83 IonicContact OD2-ND1 2.68Å; D80-H83 PolarHBondContact OD2-ND1 3.06Å; H83-E85 VanDerWaalsContact C-OE2 3.31Å; H83-E85 WeakPolarHBondContact CA-OE2 3.24Å; H83-E85 IonicContact CD2-OE1 3.92Å; H83-E85 PolarHBondContact O-N 3.41Å; H83-E85 VanDerWaalsContact O-N 3.08Å; H83-N86 HydrophobicContact CB-CB 4.04Å; H83-N86 WeakPolarHBondContact O-CB 3.41Å; H83-N86 PolarHBondContact O-N 3.1Å; H83-N90 PolarHBondContact O-ND2 2.97Å
84	P	88.6	Confident	95.2	Very high	88 Å²	88	52.8 Å²	52.8	57%	0.571	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.3	178.5	-26.6	36	0	0	0	113.9	N86 N90	P84-N86 VanDerWaalsContact C-N 3.26Å; P84-N86 PolarHBondContact O-N 2.68Å; P84-N90 WeakPolarHBondContact CA-ND2 3.46Å; P84-N90 PolarHBondContact O-ND2 3.24Å; P84-N90 VanDerWaalsContact O-ND2 3.1Å
85	E	89.2	Confident	95.1	Very high	133 Å²	133	53.1 Å²	53.1	62%	0.621	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-6.6	176	73.5	-77.1	-176.8	0	0	114.8	H83 I87	H83-E85 VanDerWaalsContact C-OE2 3.31Å; H83-E85 WeakPolarHBondContact CA-OE2 3.24Å; H83-E85 IonicContact CD2-OE1 3.92Å; H83-E85 PolarHBondContact O-N 3.41Å; H83-E85 VanDerWaalsContact O-N 3.08Å; E85-I87 PolarHBondContact O-N 3.02Å
86	N	93.7	Very high	95.1	Very high	45 Å²	45	50 Å²	50	24%	0.241	26%	0.263	C	S	.	.			trans	-74	73.4	179.1	-170.5	-4.5	0	0	0	111.3	D80 H83 P84 N88 I89 N90	D80-N86 HydrophobicContact CB-CB 4.3Å; D80-N86 PolarHBondContact OD2-ND2 3.08Å; H83-N86 HydrophobicContact CB-CB 4.04Å; H83-N86 WeakPolarHBondContact O-CB 3.41Å; H83-N86 PolarHBondContact O-N 3.1Å; P84-N86 VanDerWaalsContact C-N 3.26Å; P84-N86 PolarHBondContact O-N 2.68Å; N86-N88 PolarHBondContact O-N 3.25Å; N86-I89 VanDerWaalsContact ND2-CD1 3.32Å; N86-I89 WeakPolarHBondContact ND2-CD1 3.46Å; N86-I89 PolarHBondContact O-N 2.96Å; N86-N90 WeakPolarHBondContact O-CB 3.18Å; N86-N90 PolarHBondContact O-N 3.42Å
87	I	92.2	Very high	95.1	Very high	75 Å²	75	49.7 Å²	49.7	39%	0.385	26%	0.26	S	S	.	.	H	α-helix	trans	-59	-30.3	-175.8	60.1	170.7	0	0	0	113	E85 I89 D91	E85-I87 PolarHBondContact O-N 3.02Å; I87-I89 PolarHBondContact O-N 3.24Å; I87-I89 VanDerWaalsContact O-N 3.09Å; I87-D91 WeakPolarHBondContact O-CB 3.3Å; I87-D91 PolarHBondContact O-N 3.42Å; I87-D91 VanDerWaalsContact O-N 3.1Å
88	N	90.9	Very high	95.1	Very high	127 Å²	127	47.3 Å²	47.3	68%	0.679	25%	0.251	S	S	*	.	H	α-helix	trans	-63.7	-18.1	178.6	-65.6	-22.6	0	0	0	113.4	N86 R459	N86-N88 PolarHBondContact O-N 3.25Å; N88-R459 PolarHBondContact O-NH1 3.45Å; N88-R459 VanDerWaalsContact O-NH1 3.12Å
89	I	94.8	Very high	95.2	Very high	35 Å²	35	46.5 Å²	46.5	18%	0.179	24%	0.242	C	C	.	.	H	α-helix	trans	-110	-53.8	175.7	-60.3	-171.2	0	0	0	109.7	D80 N86 I87 D91 V92 L93	D80-I89 HydrophobicContact CB-CD1 4.46Å; D80-I89 HydrophobicContact CB-CG2 4.28Å; N86-I89 VanDerWaalsContact ND2-CD1 3.32Å; N86-I89 WeakPolarHBondContact ND2-CD1 3.46Å; N86-I89 PolarHBondContact O-N 2.96Å; I87-I89 PolarHBondContact O-N 3.24Å; I87-I89 VanDerWaalsContact O-N 3.09Å; I89-D91 VanDerWaalsContact C-N 3.34Å; I89-D91 PolarHBondContact O-N 2.97Å; I89-V92 PolarHBondContact O-N 2.87Å; I89-L93 HydrophobicContact CG2-CB 4.43Å; I89-L93 HydrophobicContact CG2-CD1 3.59Å; I89-L93 HydrophobicContact CG2-CG 4.13Å; I89-L93 WeakPolarHBondContact O-CB 3.29Å; I89-L93 WeakPolarHBondContact O-CG 3.39Å; I89-L93 PolarHBondContact O-N 3.46Å
90	N	95.8	Very high	95.3	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.07	24%	0.235	C	C	.	.	H	α-helix	trans	-74.2	-20.8	-167.7	-65.4	-24.1	0	0	0	114	D80 H83 P84 N86 V92	D80-N90 PolarHBondContact N-OD1 3.35Å; D80-N90 PolarHBondContact O-ND2 3.44Å; H83-N90 PolarHBondContact O-ND2 2.97Å; P84-N90 WeakPolarHBondContact CA-ND2 3.46Å; P84-N90 PolarHBondContact O-ND2 3.24Å; P84-N90 VanDerWaalsContact O-ND2 3.1Å; N86-N90 WeakPolarHBondContact O-CB 3.18Å; N86-N90 PolarHBondContact O-N 3.42Å; N90-V92 PolarHBondContact O-N 3.15Å
91	D	95.8	Very high	95.4	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.091	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.2	177.3	-79.6	0.9	0	0	0	112.2	I87 I89 Q136 R200	I87-D91 WeakPolarHBondContact O-CB 3.3Å; I87-D91 PolarHBondContact O-N 3.42Å; I87-D91 VanDerWaalsContact O-N 3.1Å; I89-D91 VanDerWaalsContact C-N 3.34Å; I89-D91 PolarHBondContact O-N 2.97Å; D91-Q136 HydrophobicContact CB-CB 3.7Å; D91-Q136 PolarHBondContact O-N 3Å; D91-Q136 PolarHBondContact OD2-OE1 3.36Å; D91-R200 IonicContact OD1-CZ 3.13Å; D91-R200 IonicContact OD1-NE 3.34Å; D91-R200 PolarHBondContact OD1-NE 3.02Å; D91-R200 IonicContact OD1-NH2 3.05Å; D91-R200 PolarHBondContact OD1-NH2 2.89Å; D91-R200 IonicContact OD2-CZ 3.6Å; D91-R200 IonicContact OD2-NE 3.34Å; D91-R200 PolarHBondContact OD2-NE 3.12Å; D91-R200 IonicContact OD2-NH2 2.6Å; D91-R200 PolarHBondContact OD2-NH2 3.39Å
92	V	96.3	Very high	95.6	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-38.1	-178.1	69.8	0	0	0	0	112.6	I89 N90 G94 Y96 L98 E139	I89-V92 PolarHBondContact O-N 2.87Å; N90-V92 PolarHBondContact O-N 3.15Å; V92-G94 PolarHBondContact O-N 3.45Å; V92-Y96 PolarHBondContact O-OH 3.45Å; V92-L98 HydrophobicContact CG2-CD1 4.49Å; V92-L98 HydrophobicContact CG2-CD2 3.41Å; V92-L98 VanDerWaalsContact CG2-CD2 3.41Å; V92-E139 HydrophobicContact CB-CB 4.45Å; V92-E139 HydrophobicContact CG2-CB 4.41Å
93	L	97.7	Very high	95.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.169	C	C	.	.			trans	-86.2	99.7	-175.1	-51.9	-168.7	0	0	0	111.1	D67 E68 R77 G78 P79 I89 L98	D67-L93 HydrophobicContact CB-CB 4.26Å; D67-L93 HydrophobicContact CB-CD2 3.62Å; D67-L93 HydrophobicContact CB-CG 4.37Å; E68-L93 HydrophobicContact CB-CD2 4.37Å; E68-L93 HydrophobicContact CG-CD2 3.68Å; R77-L93 HydrophobicContact CG-CD1 3.57Å; G78-L93 WeakPolarHBondContact O-CD1 3.47Å; P79-L93 VanDerWaalsContact CB-O 3.31Å; P79-L93 WeakPolarHBondContact CB-O 3.47Å; P79-L93 WeakPolarHBondContact CG-O 3.14Å; I89-L93 HydrophobicContact CG2-CB 4.43Å; I89-L93 HydrophobicContact CG2-CD1 3.59Å; I89-L93 HydrophobicContact CG2-CG 4.13Å; I89-L93 WeakPolarHBondContact O-CB 3.29Å; I89-L93 WeakPolarHBondContact O-CG 3.39Å; I89-L93 PolarHBondContact O-N 3.46Å; L93-L98 HydrophobicContact CD2-CD2 3.87Å
94	G	96.9	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.			trans	-108.4	11.5	-177.4	0	0	0	0	0	116	D67 V92 Y96 S133	D67-G94 PolarHBondContact OD2-N 2.95Å; V92-G94 PolarHBondContact O-N 3.45Å; G94-Y96 VanDerWaalsContact C-CD1 3.45Å; G94-S133 WeakPolarHBondContact O-CB 3.41Å; G94-S133 PolarHBondContact O-OG 3.02Å
95	D	97.3	Very high	96.5	Very high	40 Å²	40	23.8 Å²	23.8	21%	0.214	12%	0.122	C	C	.	.	S	Bend	trans	67.7	49.6	-179.2	-170.6	44.5	0	0	0	113.7	D67 P79 R81 K131	D67-D95 VanDerWaalsContact OD2-CA 3.3Å; D67-D95 WeakPolarHBondContact OD2-CA 3.41Å; D67-D95 PolarHBondContact OD2-N 2.99Å; P79-D95 HydrophobicContact CG-CB 3.86Å; R81-D95 IonicContact NH2-OD2 3.32Å; R81-D95 PolarHBondContact NH2-OD2 2.91Å; D95-K131 WeakPolarHBondContact O-CE 3.23Å; D95-K131 PolarHBondContact O-NZ 3.35Å; D95-K131 IonicContact OD2-NZ 3.73Å; D95-K131 PolarHBondContact OD2-NZ 3.14Å
96	Y	97.5	Very high	96.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.008	9%	0.093	C	C	.	.	S	Bend	trans	-137.2	22.8	-174.7	50.8	-116.9	0	0	0	113.9	D67 V92 G94 L98 I101 V127 F129 V135 V144 L203	D67-Y96 PolarHBondContact OD1-N 3.41Å; V92-Y96 PolarHBondContact O-OH 3.45Å; G94-Y96 VanDerWaalsContact C-CD1 3.45Å; Y96-L98 HydrophobicContact CD2-CB 4.23Å; Y96-L98 HydrophobicContact CE2-CB 3.79Å; Y96-L98 HydrophobicContact CE2-CD1 3.82Å; Y96-L98 HydrophobicContact CE2-CG 4.34Å; Y96-I101 HydrophobicContact CD2-CD1 4.27Å; Y96-I101 WeakPolarHBondContact O-CD1 3.33Å; Y96-V127 WeakPolarHBondContact O-CG2 3.44Å; Y96-F129 HydrophobicContact CD1-CD1 4.14Å; Y96-F129 HydrophobicContact CD1-CE1 4.2Å; Y96-F129 HydrophobicContact CD2-CE1 4.47Å; Y96-F129 HydrophobicContact CG-CD1 4.23Å; Y96-F129 AromaticContact CG-CE1 3.92Å; Y96-F129 HydrophobicContact CG-CE1 3.92Å; Y96-V135 HydrophobicContact CE1-CG1 4.4Å; Y96-V144 HydrophobicContact CD2-CG2 4.21Å; Y96-V144 HydrophobicContact CE2-CG2 3.42Å; Y96-V144 VanDerWaalsContact CE2-CG2 3.42Å; Y96-L203 HydrophobicContact CD1-CD1 4.4Å
97	S	98.2	Very high	97.2	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.014	8%	0.081	C	C	.	.			trans	61	45.3	179.4	-50.8	0	0	0	0	113.1	P65 D67 S99 L100 I101	P65-S97 WeakPolarHBondContact O-CA 3.36Å; P65-S97 WeakPolarHBondContact O-CB 3.44Å; P65-S97 PolarHBondContact O-OG 2.89Å; D67-S97 PolarHBondContact OD1-N 2.87Å; S97-S99 PolarHBondContact O-N 3.14Å; S97-L100 WeakPolarHBondContact O-CB 3.49Å; S97-L100 PolarHBondContact O-N 2.67Å; S97-I101 PolarHBondContact O-N 2.8Å; S97-I101 VanDerWaalsContact O-N 3.12Å
98	L	98.7	Very high	97.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-41.9	-58.7	-176.9	177.5	65	0	0	0	114.1	D67 E68 V92 L93 Y96 L100 I101 D102 R143 V144 S462	D67-L98 HydrophobicContact CB-CB 3.76Å; D67-L98 PolarHBondContact OD1-N 3.34Å; D67-L98 VanDerWaalsContact OD1-N 3.14Å; E68-L98 HydrophobicContact CG-CD2 4.46Å; V92-L98 HydrophobicContact CG2-CD1 4.49Å; V92-L98 HydrophobicContact CG2-CD2 3.41Å; V92-L98 VanDerWaalsContact CG2-CD2 3.41Å; L93-L98 HydrophobicContact CD2-CD2 3.87Å; Y96-L98 HydrophobicContact CD2-CB 4.23Å; Y96-L98 HydrophobicContact CE2-CB 3.79Å; Y96-L98 HydrophobicContact CE2-CD1 3.82Å; Y96-L98 HydrophobicContact CE2-CG 4.34Å; L98-L100 PolarHBondContact O-N 3.33Å; L98-I101 PolarHBondContact O-N 3.22Å; L98-D102 VanDerWaalsContact O-CB 3.27Å; L98-D102 WeakPolarHBondContact O-CB 3.38Å; L98-D102 PolarHBondContact O-N 3.31Å; L98-R143 HydrophobicContact CD1-CB 4.06Å; L98-V144 HydrophobicContact CD1-CG2 3.98Å; L98-S462 VanDerWaalsContact CD2-OG 3.32Å; L98-S462 WeakPolarHBondContact CD2-OG 3.47Å
99	S	98.7	Very high	97.8	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	3%	0.034	C	C	.	.	H	α-helix	trans	-62.2	-28.7	-176.8	-69.9	0	0	0	0	113.3	D67 S97 S103 S462	D67-S99 WeakPolarHBondContact O-CB 3.3Å; D67-S99 PolarHBondContact O-N 3.07Å; D67-S99 PolarHBondContact O-OG 3.18Å; S97-S99 PolarHBondContact O-N 3.14Å; S99-S103 WeakPolarHBondContact O-CB 3.43Å; S99-S103 PolarHBondContact O-N 2.96Å; S99-S103 PolarHBondContact O-OG 2.97Å; S99-S462 WeakPolarHBondContact OG-CB 3.25Å
100	L	98.9	Very high	98	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-67.7	-47.8	172.3	-179.4	61.9	0	0	0	111.2	Y59 M60 S97 L98 V104 A119 L122 I123	Y59-L100 HydrophobicContact CE1-CB 3.87Å; M60-L100 HydrophobicContact CE-CD1 4.19Å; M60-L100 HydrophobicContact SD-CD1 3.85Å; S97-L100 WeakPolarHBondContact O-CB 3.49Å; S97-L100 PolarHBondContact O-N 2.67Å; L98-L100 PolarHBondContact O-N 3.33Å; L100-V104 PolarHBondContact O-N 2.89Å; L100-A119 HydrophobicContact CD1-CB 3.8Å; L100-L122 HydrophobicContact CD2-CB 3.77Å; L100-I123 HydrophobicContact CD2-CG1 3.84Å; L100-I123 HydrophobicContact CG-CD1 4.35Å; L100-I123 HydrophobicContact CG-CG1 3.85Å
101	I	98.9	Very high	98	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-53.7	179.5	-65.4	175.7	0	0	0	109.4	Y96 S97 L98 S103 V104 I123 V127 V144 A147 L148	Y96-I101 HydrophobicContact CD2-CD1 4.27Å; Y96-I101 WeakPolarHBondContact O-CD1 3.33Å; S97-I101 PolarHBondContact O-N 2.8Å; S97-I101 VanDerWaalsContact O-N 3.12Å; L98-I101 PolarHBondContact O-N 3.22Å; I101-S103 PolarHBondContact O-N 3.43Å; I101-V104 WeakPolarHBondContact O-CB 3.46Å; I101-V104 WeakPolarHBondContact O-CG1 3.45Å; I101-V104 PolarHBondContact O-N 3.18Å; I101-I123 HydrophobicContact CG1-CD1 4.23Å; I101-I123 HydrophobicContact CG1-CG1 4.09Å; I101-I123 HydrophobicContact CG1-CG2 4.37Å; I101-V127 HydrophobicContact CD1-CG1 3.9Å; I101-V127 HydrophobicContact CD1-CG2 3.92Å; I101-V127 HydrophobicContact CG1-CG2 4.21Å; I101-V144 HydrophobicContact CD1-CG1 3.87Å; I101-V144 HydrophobicContact CG2-CG1 4.1Å; I101-A147 HydrophobicContact CG2-CB 3.72Å; I101-A147 WeakPolarHBondContact O-CB 3.37Å; I101-L148 HydrophobicContact CG2-CD2 4.21Å; I101-L148 HydrophobicContact CG2-CG 4.08Å
102	D	98.7	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.8	-42.8	-171.1	-163.1	8.5	0	0	0	111.8	L98 V104 S462 S466 H496	L98-D102 VanDerWaalsContact O-CB 3.27Å; L98-D102 WeakPolarHBondContact O-CB 3.38Å; L98-D102 PolarHBondContact O-N 3.31Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.37Å; D102-S462 VanDerWaalsContact OD2-CB 3.28Å; D102-S462 WeakPolarHBondContact OD2-CB 3.2Å; D102-S462 PolarHBondContact OD2-OG 2.96Å; D102-S466 WeakPolarHBondContact O-CB 3.45Å; D102-S466 WeakPolarHBondContact OD1-CB 3.5Å; D102-S466 PolarHBondContact OD1-OG 2.77Å; D102-S466 PolarHBondContact OD2-OG 2.85Å; D102-H496 PolarHBondContact O-CE1 2.82Å; D102-H496 IonicContact OD1-CE1 3.44Å; D102-H496 PolarHBondContact OD1-CE1 3.41Å; D102-H496 IonicContact OD1-NE2 3.48Å; D102-H496 PolarHBondContact OD1-NE2 3.14Å
103	S	98.7	Very high	98.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-77.7	-7.7	179.5	70	0	0	0	0	115.1	S99 I101 T105 T106 L107	S99-S103 WeakPolarHBondContact O-CB 3.43Å; S99-S103 PolarHBondContact O-N 2.96Å; S99-S103 PolarHBondContact O-OG 2.97Å; I101-S103 PolarHBondContact O-N 3.43Å; S103-T105 VanDerWaalsContact C-N 3.25Å; S103-T105 PolarHBondContact O-N 3.28Å; S103-T106 VanDerWaalsContact O-CB 3.31Å; S103-T106 WeakPolarHBondContact O-CB 3.33Å; S103-T106 PolarHBondContact O-N 3.21Å; S103-L107 PolarHBondContact O-N 2.89Å
104	V	98.8	Very high	98.2	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-59.1	-39.5	-173.8	79	0	0	0	0	111.6	L100 I101 D102 T106 L107 F116 A119 V120 I123 A151	L100-V104 PolarHBondContact O-N 2.89Å; I101-V104 WeakPolarHBondContact O-CB 3.46Å; I101-V104 WeakPolarHBondContact O-CG1 3.45Å; I101-V104 PolarHBondContact O-N 3.18Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.37Å; V104-T106 VanDerWaalsContact C-N 3.31Å; V104-T106 PolarHBondContact O-N 2.99Å; V104-L107 WeakPolarHBondContact O-CB 3.42Å; V104-L107 PolarHBondContact O-N 3.17Å; V104-F116 HydrophobicContact CG2-CD2 3.9Å; V104-F116 HydrophobicContact CG2-CE2 3.89Å; V104-F116 VanDerWaalsContact O-CD2 3.29Å; V104-F116 WeakPolarHBondContact O-CD2 3.41Å; V104-A119 HydrophobicContact CG2-CB 3.98Å; V104-V120 HydrophobicContact CG2-CG2 4.01Å; V104-I123 HydrophobicContact CB-CD1 4.15Å; V104-I123 HydrophobicContact CG1-CD1 4.49Å; V104-I123 HydrophobicContact CG2-CD1 4.08Å; V104-A151 HydrophobicContact CG1-CB 3.72Å
105	T	98.6	Very high	98.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.6	-30.9	179.2	58.8	0	0	0	0	112.1	S103 A108 L109 S150 M154 K470 H496	S103-T105 VanDerWaalsContact C-N 3.25Å; S103-T105 PolarHBondContact O-N 3.28Å; T105-A108 PolarHBondContact O-N 2.91Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 3.24Å; T105-L109 VanDerWaalsContact O-N 3.1Å; T105-S150 WeakPolarHBondContact CG2-OG 3.34Å; T105-M154 HydrophobicContact CG2-CE 4.16Å; T105-K470 PolarHBondContact OG1-NZ 2.87Å; T105-H496 PolarHBondContact OG1-ND1 3.35Å
106	T	98.8	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-40.8	174.5	-50.3	0	0	0	0	111.3	F52 S103 V104 A108 L109 M110 L465 S466 K470	F52-T106 HydrophobicContact CD2-CG2 3.7Å; F52-T106 HydrophobicContact CE2-CG2 3.4Å; F52-T106 HydrophobicContact CZ-CG2 4.03Å; S103-T106 VanDerWaalsContact O-CB 3.31Å; S103-T106 WeakPolarHBondContact O-CB 3.33Å; S103-T106 PolarHBondContact O-N 3.21Å; V104-T106 VanDerWaalsContact C-N 3.31Å; V104-T106 PolarHBondContact O-N 2.99Å; T106-A108 VanDerWaalsContact C-N 3.27Å; T106-A108 PolarHBondContact O-N 2.84Å; T106-L109 PolarHBondContact O-N 3.28Å; T106-L109 VanDerWaalsContact O-N 3.17Å; T106-M110 HydrophobicContact CG2-CE 3.7Å; T106-M110 HydrophobicContact CG2-CG 4.18Å; T106-M110 HydrophobicContact CG2-SD 4.23Å; T106-M110 WeakPolarHBondContact O-CB 3.25Å; T106-M110 WeakPolarHBondContact O-CG 3.29Å; T106-M110 PolarHBondContact O-N 3.38Å; T106-L465 WeakPolarHBondContact CG2-O 3.32Å; T106-L465 PolarHBondContact OG1-O 3.5Å; T106-S466 WeakPolarHBondContact OG1-CA 3.17Å; T106-S466 PolarHBondContact OG1-O 3.07Å; T106-K470 HydrophobicContact CG2-CB 3.92Å; T106-K470 HydrophobicContact CG2-CG 4.39Å; T106-K470 WeakPolarHBondContact OG1-CE 3.23Å
107	L	98.8	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.6	-41.8	177.5	-65.2	168	0	0	0	112.1	F52 Y53 Y56 S103 V104 G111 N112 E115 F116 A119	F52-L107 HydrophobicContact CE1-CD2 3.58Å; F52-L107 HydrophobicContact CE1-CG 4.49Å; F52-L107 HydrophobicContact CZ-CD2 3.72Å; F52-L107 HydrophobicContact CZ-CG 4.17Å; Y53-L107 HydrophobicContact CE1-CD2 4.31Å; Y56-L107 HydrophobicContact CD1-CD2 4.4Å; Y56-L107 HydrophobicContact CE1-CD2 4.12Å; Y56-L107 HydrophobicContact CE2-CD1 4.04Å; Y56-L107 HydrophobicContact CE2-CD2 4.28Å; Y56-L107 HydrophobicContact CE2-CG 4.44Å; S103-L107 PolarHBondContact O-N 2.89Å; V104-L107 WeakPolarHBondContact O-CB 3.42Å; V104-L107 PolarHBondContact O-N 3.17Å; L107-G111 PolarHBondContact O-N 3.04Å; L107-N112 PolarHBondContact O-N 3.34Å; L107-E115 HydrophobicContact CD1-CG 4.03Å; L107-E115 HydrophobicContact CD2-CB 4.3Å; L107-E115 HydrophobicContact CD2-CG 3.69Å; L107-E115 HydrophobicContact CG-CG 4.44Å; L107-F116 HydrophobicContact CB-CB 4.2Å; L107-A119 HydrophobicContact CD1-CB 3.69Å
108	A	98.4	Very high	98.4	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-49.6	175.4	0	0	0	0	0	111.3	T105 T106 M110 G111 F116 M154 F165	T105-A108 PolarHBondContact O-N 2.91Å; T106-A108 VanDerWaalsContact C-N 3.27Å; T106-A108 PolarHBondContact O-N 2.84Å; A108-M110 VanDerWaalsContact C-N 3.26Å; A108-M110 PolarHBondContact O-N 3.23Å; A108-G111 WeakPolarHBondContact O-CA 3.45Å; A108-G111 PolarHBondContact O-N 2.63Å; A108-F116 HydrophobicContact CB-CD2 3.68Å; A108-F116 HydrophobicContact CB-CE2 4.02Å; A108-F116 HydrophobicContact CB-CG 4.24Å; A108-M154 HydrophobicContact CB-CE 4.24Å; A108-M154 HydrophobicContact CB-SD 3.47Å; A108-M154 WeakPolarHBondContact CB-SD 3.23Å; A108-F165 HydrophobicContact CB-CD1 4.32Å; A108-F165 HydrophobicContact CB-CD2 4.37Å; A108-F165 HydrophobicContact CB-CE1 3.78Å; A108-F165 HydrophobicContact CB-CE2 3.8Å; A108-F165 HydrophobicContact CB-CZ 3.51Å; A108-F165 WeakPolarHBondContact O-CZ 3.41Å
109	L	98.4	Very high	98.4	Very high	7 Å²	7	19.5 Å²	19.5	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-65.7	-26.9	-179.2	-66	-177.1	0	0	0	113.4	T105 T106 G111 L162 K470 L474 N480 V482 F491 P497	T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 3.24Å; T105-L109 VanDerWaalsContact O-N 3.1Å; T106-L109 PolarHBondContact O-N 3.28Å; T106-L109 VanDerWaalsContact O-N 3.17Å; L109-G111 PolarHBondContact O-N 3.19Å; L109-L162 HydrophobicContact CD2-CD1 4.39Å; L109-L162 HydrophobicContact CD2-CD2 4.2Å; L109-K470 HydrophobicContact CD1-CD 3.78Å; L109-K470 HydrophobicContact CD1-CG 4.03Å; L109-L474 HydrophobicContact CD1-CD1 4.22Å; L109-N480 PolarHBondContact O-ND2 3.36Å; L109-V482 HydrophobicContact CD2-CG1 3.7Å; L109-V482 HydrophobicContact CD2-CG2 4.39Å; L109-F491 HydrophobicContact CD1-CE1 4.14Å; L109-F491 HydrophobicContact CD1-CZ 4.4Å; L109-P497 HydrophobicContact CD1-CG 4.1Å; L109-P497 HydrophobicContact CD2-CG 4.31Å; L109-P497 HydrophobicContact CG-CG 4.47Å
110	M	98.3	Very high	98.4	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.039	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.5	170.9	-67.3	-165.7	176.8	0	0	113.9	F52 T106 A108 N112 Y473	F52-M110 HydrophobicContact CB-CE 3.42Å; F52-M110 VanDerWaalsContact CB-CE 3.42Å; F52-M110 HydrophobicContact CB-SD 3.86Å; F52-M110 HydrophobicContact CD1-CE 4.1Å; F52-M110 HydrophobicContact CD1-SD 3.54Å; F52-M110 VanDerWaalsContact CD1-SD 3.54Å; F52-M110 HydrophobicContact CD2-CE 3.8Å; F52-M110 HydrophobicContact CD2-SD 4.25Å; F52-M110 HydrophobicContact CE1-SD 4.17Å; F52-M110 HydrophobicContact CG-CE 3.48Å; F52-M110 VanDerWaalsContact CG-CE 3.48Å; F52-M110 HydrophobicContact CG-SD 3.6Å; T106-M110 HydrophobicContact CG2-CE 3.7Å; T106-M110 HydrophobicContact CG2-CG 4.18Å; T106-M110 HydrophobicContact CG2-SD 4.23Å; T106-M110 WeakPolarHBondContact O-CB 3.25Å; T106-M110 WeakPolarHBondContact O-CG 3.29Å; T106-M110 PolarHBondContact O-N 3.38Å; A108-M110 VanDerWaalsContact C-N 3.26Å; A108-M110 PolarHBondContact O-N 3.23Å; M110-N112 VanDerWaalsContact C-N 3.31Å; M110-N112 PolarHBondContact O-N 3.13Å; M110-Y473 HydrophobicContact CB-CE1 4.35Å; M110-Y473 HydrophobicContact CB-CE2 4.4Å; M110-Y473 HydrophobicContact CE-CD2 4.02Å; M110-Y473 HydrophobicContact CE-CG 3.96Å; M110-Y473 HydrophobicContact CG-CD1 3.98Å; M110-Y473 HydrophobicContact CG-CD2 4.01Å; M110-Y473 HydrophobicContact CG-CE1 4.07Å; M110-Y473 HydrophobicContact CG-CE2 4.08Å; M110-Y473 HydrophobicContact CG-CG 3.97Å; M110-Y473 HydrophobicContact SD-CD2 4.24Å
111	G	96.2	Very high	98.4	Very high	62 Å²	62	24.1 Å²	24.1	64%	0.639	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	11.6	178.2	0	0	0	0	0	114.7	L107 A108 L109 G113	L107-G111 PolarHBondContact O-N 3.04Å; A108-G111 WeakPolarHBondContact O-CA 3.45Å; A108-G111 PolarHBondContact O-N 2.63Å; L109-G111 PolarHBondContact O-N 3.19Å; G111-G113 VanDerWaalsContact C-N 3.35Å; G111-G113 PolarHBondContact O-N 2.99Å; G111-G113 VanDerWaalsContact O-N 3.15Å
112	N	97.7	Very high	98.4	Very high	41 Å²	41	25.6 Å²	25.6	22%	0.219	14%	0.141	C	C	.	.			trans	-90.5	69.5	179.9	-166.4	-16	0	0	0	111.5	Y53 L107 M110 S114 E115 F116	Y53-N112 WeakPolarHBondContact OH-CB 3.47Å; Y53-N112 PolarHBondContact OH-ND2 2.93Å; L107-N112 PolarHBondContact O-N 3.34Å; M110-N112 VanDerWaalsContact C-N 3.31Å; M110-N112 PolarHBondContact O-N 3.13Å; N112-S114 VanDerWaalsContact C-N 3.27Å; N112-S114 PolarHBondContact O-N 2.97Å; N112-S114 PolarHBondContact OD1-OG 3.23Å; N112-E115 HydrophobicContact CB-CB 4.23Å; N112-E115 WeakPolarHBondContact ND2-CB 3.27Å; N112-E115 PolarHBondContact O-N 2.99Å; N112-E115 WeakPolarHBondContact OD1-CB 3.1Å; N112-E115 PolarHBondContact OD1-N 2.85Å; N112-F116 WeakPolarHBondContact O-CB 3.36Å; N112-F116 PolarHBondContact O-N 3.2Å
113	G	97.6	Very high	98.4	Very high	12 Å²	12	25.6 Å²	25.6	12%	0.124	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-25.6	-178.5	0	0	0	0	0	114.9	G111 R117	G111-G113 VanDerWaalsContact C-N 3.35Å; G111-G113 PolarHBondContact O-N 2.99Å; G111-G113 VanDerWaalsContact O-N 3.15Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 3.01Å; G113-R117 PolarHBondContact O-NE 2.88Å
114	S	98	Very high	98.4	Very high	86 Å²	86	28.4 Å²	28.4	60%	0.601	16%	0.155	S	C	*	.	H	α-helix	trans	-66.4	-46.4	172.1	40.2	0	0	0	0	111.6	N112 R117 R118	N112-S114 VanDerWaalsContact C-N 3.27Å; N112-S114 PolarHBondContact O-N 2.97Å; N112-S114 PolarHBondContact OD1-OG 3.23Å; S114-R117 PolarHBondContact O-N 3.21Å; S114-R118 PolarHBondContact O-N 3.35Å; S114-R118 VanDerWaalsContact O-N 3.11Å
115	E	98.4	Very high	98.3	Very high	27 Å²	27	35 Å²	35	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-74.3	-38.2	-178	-173.3	54.8	-158.9	0	0	111.7	Y56 L107 N112 R117 R118 A119	Y56-E115 HydrophobicContact CE1-CG 3.95Å; Y56-E115 VanDerWaalsContact CE1-OE1 3.28Å; Y56-E115 WeakPolarHBondContact CE1-OE1 3.36Å; Y56-E115 PolarHBondContact OH-OE1 3.46Å; L107-E115 HydrophobicContact CD1-CG 4.03Å; L107-E115 HydrophobicContact CD2-CB 4.3Å; L107-E115 HydrophobicContact CD2-CG 3.69Å; L107-E115 HydrophobicContact CG-CG 4.44Å; N112-E115 HydrophobicContact CB-CB 4.23Å; N112-E115 WeakPolarHBondContact ND2-CB 3.27Å; N112-E115 PolarHBondContact O-N 2.99Å; N112-E115 WeakPolarHBondContact OD1-CB 3.1Å; N112-E115 PolarHBondContact OD1-N 2.85Å; E115-R117 VanDerWaalsContact C-N 3.34Å; E115-R117 PolarHBondContact O-N 3.03Å; E115-R118 VanDerWaalsContact CD-NE 3.26Å; E115-R118 WeakPolarHBondContact O-CB 3.22Å; E115-R118 PolarHBondContact O-N 2.95Å; E115-R118 VanDerWaalsContact O-N 3.08Å; E115-R118 IonicContact OE1-CZ 3.38Å; E115-R118 IonicContact OE1-NE 3.01Å; E115-R118 PolarHBondContact OE1-NE 2.96Å; E115-R118 IonicContact OE1-NH2 3.78Å; E115-R118 PolarHBondContact OE1-NH2 2.66Å; E115-R118 IonicContact OE2-CZ 3.48Å; E115-R118 IonicContact OE2-NE 2.67Å; E115-R118 PolarHBondContact OE2-NE 3.05Å; E115-R118 IonicContact OE2-NH2 3.01Å; E115-A119 WeakPolarHBondContact O-CB 3.09Å; E115-A119 PolarHBondContact O-N 2.92Å
116	F	98.8	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-50.2	-53.5	169.3	174	-95.1	0	0	0	111.4	V104 L107 A108 N112 R118 A119 V120 A151 M154 I155 F165	V104-F116 HydrophobicContact CG2-CD2 3.9Å; V104-F116 HydrophobicContact CG2-CE2 3.89Å; V104-F116 VanDerWaalsContact O-CD2 3.29Å; V104-F116 WeakPolarHBondContact O-CD2 3.41Å; L107-F116 HydrophobicContact CB-CB 4.2Å; A108-F116 HydrophobicContact CB-CD2 3.68Å; A108-F116 HydrophobicContact CB-CE2 4.02Å; A108-F116 HydrophobicContact CB-CG 4.24Å; N112-F116 WeakPolarHBondContact O-CB 3.36Å; N112-F116 PolarHBondContact O-N 3.2Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 2.84Å; F116-A119 PolarHBondContact O-N 2.57Å; F116-V120 HydrophobicContact CD1-CG2 4.26Å; F116-V120 HydrophobicContact CE1-CG2 3.84Å; F116-V120 HydrophobicContact CE2-CG2 4.21Å; F116-V120 HydrophobicContact CZ-CG2 3.82Å; F116-V120 VanDerWaalsContact O-CG2 3.31Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 2.76Å; F116-A151 HydrophobicContact CE2-CB 4.12Å; F116-A151 HydrophobicContact CZ-CB 4.14Å; F116-M154 HydrophobicContact CE2-SD 4.07Å; F116-M154 HydrophobicContact CZ-CB 4.26Å; F116-M154 HydrophobicContact CZ-SD 4.38Å; F116-I155 HydrophobicContact CE1-CD1 4.18Å; F116-I155 HydrophobicContact CE1-CG1 3.65Å; F116-I155 HydrophobicContact CZ-CD1 4.2Å; F116-I155 HydrophobicContact CZ-CG1 3.89Å; F116-F165 HydrophobicContact CB-CD1 4.29Å; F116-F165 HydrophobicContact CD1-CB 3.93Å; F116-F165 AromaticContact CD1-CD1 3.7Å; F116-F165 HydrophobicContact CD1-CD1 3.7Å; F116-F165 HydrophobicContact CD1-CG 4.07Å; F116-F165 HydrophobicContact CE1-CB 3.69Å; F116-F165 HydrophobicContact CE1-CD1 4.25Å; F116-F165 HydrophobicContact CE1-CG 4.14Å; F116-F165 HydrophobicContact CG-CD1 4.01Å; F116-F165 HydrophobicContact CZ-CB 4.48Å
117	R	98.7	Very high	98.2	Very high	65 Å²	65	39 Å²	39	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-33.6	178.6	-73.2	-175	-84.3	-110.8	-8.7	112.8	G113 S114 E115 R121 D164 G166 M167	G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 3.01Å; G113-R117 PolarHBondContact O-NE 2.88Å; S114-R117 PolarHBondContact O-N 3.21Å; E115-R117 VanDerWaalsContact C-N 3.34Å; E115-R117 PolarHBondContact O-N 3.03Å; R117-R121 WeakPolarHBondContact O-CG 3.23Å; R117-R121 PolarHBondContact O-N 3.24Å; R117-R121 VanDerWaalsContact O-N 3.17Å; R117-D164 PolarHBondContact NH1-O 2.65Å; R117-G166 PolarHBondContact NH1-O 2.88Å; R117-M167 HydrophobicContact CB-CE 4.5Å; R117-M167 HydrophobicContact CB-CG 4.41Å; R117-M167 HydrophobicContact CB-SD 4.15Å; R117-M167 HydrophobicContact CG-CG 3.64Å; R117-M167 HydrophobicContact CG-SD 3.83Å
118	R	98.6	Very high	98.2	Very high	97 Å²	97	42.6 Å²	42.6	37%	0.366	23%	0.227	S	C	.	.	H	α-helix	trans	-66.1	-47.5	174.5	-168.7	-176.2	77.2	89.2	-2	111.1	S114 E115 F116 V120 R121 L122	S114-R118 PolarHBondContact O-N 3.35Å; S114-R118 VanDerWaalsContact O-N 3.11Å; E115-R118 VanDerWaalsContact CD-NE 3.26Å; E115-R118 WeakPolarHBondContact O-CB 3.22Å; E115-R118 PolarHBondContact O-N 2.95Å; E115-R118 VanDerWaalsContact O-N 3.08Å; E115-R118 IonicContact OE1-CZ 3.38Å; E115-R118 IonicContact OE1-NE 3.01Å; E115-R118 PolarHBondContact OE1-NE 2.96Å; E115-R118 IonicContact OE1-NH2 3.78Å; E115-R118 PolarHBondContact OE1-NH2 2.66Å; E115-R118 IonicContact OE2-CZ 3.48Å; E115-R118 IonicContact OE2-NE 2.67Å; E115-R118 PolarHBondContact OE2-NE 3.05Å; E115-R118 IonicContact OE2-NH2 3.01Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 2.84Å; R118-V120 PolarHBondContact O-N 2.72Å; R118-R121 PolarHBondContact O-N 3.45Å; R118-L122 WeakPolarHBondContact O-CG 3.35Å; R118-L122 PolarHBondContact O-N 2.79Å
119	A	98.8	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-43.6	177	0	0	0	0	0	111.6	L100 V104 L107 E115 F116 R121 L122 I123	L100-A119 HydrophobicContact CD1-CB 3.8Å; V104-A119 HydrophobicContact CG2-CB 3.98Å; L107-A119 HydrophobicContact CD1-CB 3.69Å; E115-A119 WeakPolarHBondContact O-CB 3.09Å; E115-A119 PolarHBondContact O-N 2.92Å; F116-A119 PolarHBondContact O-N 2.57Å; A119-R121 PolarHBondContact O-N 3.26Å; A119-L122 WeakPolarHBondContact O-CB 3.38Å; A119-L122 PolarHBondContact O-N 3.47Å; A119-I123 VanDerWaalsContact O-CG1 3.32Å; A119-I123 WeakPolarHBondContact O-CG1 3.4Å; A119-I123 PolarHBondContact O-N 2.89Å
120	V	98.8	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-45.6	174.6	171.7	0	0	0	0	111.7	V104 F116 R118 L122 I123 I124 I155 M167 L174	V104-V120 HydrophobicContact CG2-CG2 4.01Å; F116-V120 HydrophobicContact CD1-CG2 4.26Å; F116-V120 HydrophobicContact CE1-CG2 3.84Å; F116-V120 HydrophobicContact CE2-CG2 4.21Å; F116-V120 HydrophobicContact CZ-CG2 3.82Å; F116-V120 VanDerWaalsContact O-CG2 3.31Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 2.76Å; R118-V120 PolarHBondContact O-N 2.72Å; V120-L122 VanDerWaalsContact C-N 3.35Å; V120-L122 PolarHBondContact O-N 2.96Å; V120-I123 PolarHBondContact O-N 3.3Å; V120-I124 HydrophobicContact CG1-CD1 3.86Å; V120-I124 VanDerWaalsContact O-CG1 3.3Å; V120-I124 WeakPolarHBondContact O-CG1 3.41Å; V120-I124 PolarHBondContact O-N 3.11Å; V120-I155 HydrophobicContact CG1-CD1 3.91Å; V120-I155 HydrophobicContact CG2-CD1 4.05Å; V120-M167 HydrophobicContact CB-CE 4.41Å; V120-M167 HydrophobicContact CB-SD 3.98Å; V120-M167 HydrophobicContact CG1-CE 4.03Å; V120-M167 HydrophobicContact CG1-SD 3.67Å; V120-L174 HydrophobicContact CG1-CD1 4.13Å; V120-L174 HydrophobicContact CG1-CD2 4.39Å; V120-L174 HydrophobicContact CG1-CG 4.39Å; V120-L174 HydrophobicContact CG2-CD1 4.22Å
121	R	98.7	Very high	98	Very high	98 Å²	98	46 Å²	46	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-43.7	175.8	-69.7	-177.7	-164.2	105.6	-0.1	112	R117 R118 A119 I123 I124 E125 M167 E169	R117-R121 WeakPolarHBondContact O-CG 3.23Å; R117-R121 PolarHBondContact O-N 3.24Å; R117-R121 VanDerWaalsContact O-N 3.17Å; R118-R121 PolarHBondContact O-N 3.45Å; A119-R121 PolarHBondContact O-N 3.26Å; R121-I123 VanDerWaalsContact C-N 3.32Å; R121-I123 PolarHBondContact O-N 3.27Å; R121-I124 PolarHBondContact O-N 3.43Å; R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 VanDerWaalsContact O-CG 3.26Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 2.89Å; R121-M167 HydrophobicContact CG-CE 3.75Å; R121-E169 IonicContact CZ-OE1 2.65Å; R121-E169 VanDerWaalsContact CZ-OE1 3.31Å; R121-E169 IonicContact NE-OE1 3.77Å; R121-E169 PolarHBondContact NE-OE1 3.31Å; R121-E169 IonicContact NH2-OE1 3.65Å; R121-E169 PolarHBondContact NH2-OE1 3.4Å
122	L	98.7	Very high	97.9	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-38.8	176.7	-71.3	174.7	0	0	0	112.5	M60 L100 R118 A119 V120 E125 N126	M60-L122 HydrophobicContact CE-CD1 3.43Å; M60-L122 VanDerWaalsContact CE-CD1 3.43Å; L100-L122 HydrophobicContact CD2-CB 3.77Å; R118-L122 WeakPolarHBondContact O-CG 3.35Å; R118-L122 PolarHBondContact O-N 2.79Å; A119-L122 WeakPolarHBondContact O-CB 3.38Å; A119-L122 PolarHBondContact O-N 3.47Å; V120-L122 VanDerWaalsContact C-N 3.35Å; V120-L122 PolarHBondContact O-N 2.96Å; L122-E125 PolarHBondContact O-N 2.9Å; L122-N126 VanDerWaalsContact O-CB 3.31Å; L122-N126 WeakPolarHBondContact O-CB 3.48Å; L122-N126 PolarHBondContact O-N 3.04Å; L122-N126 PolarHBondContact O-ND2 3.24Å
123	I	98.8	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-51.2	174.1	-69.7	165	0	0	0	109.6	L100 I101 V104 A119 V120 R121 E125 N126 V127 L148 L174 L177	L100-I123 HydrophobicContact CD2-CG1 3.84Å; L100-I123 HydrophobicContact CG-CD1 4.35Å; L100-I123 HydrophobicContact CG-CG1 3.85Å; I101-I123 HydrophobicContact CG1-CD1 4.23Å; I101-I123 HydrophobicContact CG1-CG1 4.09Å; I101-I123 HydrophobicContact CG1-CG2 4.37Å; V104-I123 HydrophobicContact CB-CD1 4.15Å; V104-I123 HydrophobicContact CG1-CD1 4.49Å; V104-I123 HydrophobicContact CG2-CD1 4.08Å; A119-I123 VanDerWaalsContact O-CG1 3.32Å; A119-I123 WeakPolarHBondContact O-CG1 3.4Å; A119-I123 PolarHBondContact O-N 2.89Å; V120-I123 PolarHBondContact O-N 3.3Å; R121-I123 VanDerWaalsContact C-N 3.32Å; R121-I123 PolarHBondContact O-N 3.27Å; I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 PolarHBondContact O-N 3.17Å; I123-N126 PolarHBondContact O-N 2.98Å; I123-V127 HydrophobicContact CB-CG2 4.31Å; I123-V127 HydrophobicContact CG2-CB 4.25Å; I123-V127 HydrophobicContact CG2-CG2 3.94Å; I123-V127 WeakPolarHBondContact O-CB 3.35Å; I123-V127 WeakPolarHBondContact O-CG2 3.23Å; I123-V127 PolarHBondContact O-N 3.19Å; I123-L148 HydrophobicContact CG2-CD2 4.01Å; I123-L174 HydrophobicContact CB-CD2 4.29Å; I123-L174 HydrophobicContact CG2-CD2 3.6Å; I123-L177 HydrophobicContact CG2-CD1 3.85Å
124	I	98.6	Very high	97.7	Very high	60 Å²	60	48.6 Å²	48.6	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-38.1	179.5	-65.8	168.3	0	0	0	111.7	V120 R121 Y170 E173 L174	V120-I124 HydrophobicContact CG1-CD1 3.86Å; V120-I124 VanDerWaalsContact O-CG1 3.3Å; V120-I124 WeakPolarHBondContact O-CG1 3.41Å; V120-I124 PolarHBondContact O-N 3.11Å; R121-I124 PolarHBondContact O-N 3.43Å; I124-Y170 HydrophobicContact CD1-CD2 4.18Å; I124-Y170 HydrophobicContact CD1-CE2 4.31Å; I124-E173 HydrophobicContact CD1-CB 3.79Å; I124-E173 HydrophobicContact CD1-CG 4.13Å; I124-E173 HydrophobicContact CG1-CB 3.71Å; I124-E173 HydrophobicContact CG1-CG 4.32Å; I124-E173 HydrophobicContact CG2-CB 4.25Å; I124-E173 HydrophobicContact CG2-CG 4.08Å; I124-L174 HydrophobicContact CG1-CD2 4.16Å
125	E	97.5	Very high	97.7	Very high	139 Å²	139	44.5 Å²	44.5	65%	0.65	22%	0.216	S	C	*	.	H	α-helix	trans	-79.2	-30.1	-176.9	-73.2	168.7	-171.3	0	0	114	R121 L122 I123	R121-E125 WeakPolarHBondContact O-CB 3.39Å; R121-E125 VanDerWaalsContact O-CG 3.26Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 2.89Å; L122-E125 PolarHBondContact O-N 2.9Å; I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 PolarHBondContact O-N 3.17Å
126	N	96.9	Very high	97.6	Very high	74 Å²	74	44.4 Å²	44.4	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-117.5	-19.5	-167.3	-62.9	-88.7	0	0	0	114.5	M64 L122 I123	M64-N126 HydrophobicContact CE-CB 3.93Å; L122-N126 VanDerWaalsContact O-CB 3.31Å; L122-N126 WeakPolarHBondContact O-CB 3.48Å; L122-N126 PolarHBondContact O-N 3.04Å; L122-N126 PolarHBondContact O-ND2 3.24Å; I123-N126 PolarHBondContact O-N 2.98Å
127	V	98.3	Very high	97.6	Very high	11 Å²	11	44.5 Å²	44.5	7%	0.067	22%	0.216	C	C	.	.			trans	-90.2	127.8	-174.3	178.2	0	0	0	0	110.9	Y96 I101 I123 F129 L177	Y96-V127 WeakPolarHBondContact O-CG2 3.44Å; I101-V127 HydrophobicContact CD1-CG1 3.9Å; I101-V127 HydrophobicContact CD1-CG2 3.92Å; I101-V127 HydrophobicContact CG1-CG2 4.21Å; I123-V127 HydrophobicContact CB-CG2 4.31Å; I123-V127 HydrophobicContact CG2-CB 4.25Å; I123-V127 HydrophobicContact CG2-CG2 3.94Å; I123-V127 WeakPolarHBondContact O-CB 3.35Å; I123-V127 WeakPolarHBondContact O-CG2 3.23Å; I123-V127 PolarHBondContact O-N 3.19Å; V127-F129 HydrophobicContact CG1-CE1 3.8Å; V127-F129 HydrophobicContact CG1-CE2 4.14Å; V127-F129 HydrophobicContact CG1-CZ 3.58Å; V127-L177 HydrophobicContact CB-CD1 4.5Å; V127-L177 HydrophobicContact CG1-CD2 4.39Å
128	N	97.3	Very high	97.6	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	21%	0.209	S	C	.	.			trans	-148.4	134.7	171.3	124.4	74.1	0	0	0	108.6	A130 K131	N128-A130 WeakPolarHBondContact OD1-CA 3.14Å; N128-A130 VanDerWaalsContact OD1-CB 3.23Å; N128-A130 WeakPolarHBondContact OD1-CB 3.34Å; N128-A130 PolarHBondContact OD1-N 3.21Å; N128-K131 WeakPolarHBondContact ND2-CE 2.99Å; N128-K131 WeakPolarHBondContact O-CE 3.29Å; N128-K131 WeakPolarHBondContact O-CG 3.25Å
129	F	98.4	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.			trans	-95.5	0.1	-176.6	-56.8	-63	0	0	0	114.1	Y96 V127 K131 V144 L148 L177 L181 L203	Y96-F129 HydrophobicContact CD1-CD1 4.14Å; Y96-F129 HydrophobicContact CD1-CE1 4.2Å; Y96-F129 HydrophobicContact CD2-CE1 4.47Å; Y96-F129 HydrophobicContact CG-CD1 4.23Å; Y96-F129 AromaticContact CG-CE1 3.92Å; Y96-F129 HydrophobicContact CG-CE1 3.92Å; V127-F129 HydrophobicContact CG1-CE1 3.8Å; V127-F129 HydrophobicContact CG1-CE2 4.14Å; V127-F129 HydrophobicContact CG1-CZ 3.58Å; F129-K131 PolarHBondContact O-N 2.71Å; F129-V144 HydrophobicContact CE1-CG1 3.85Å; F129-V144 HydrophobicContact CZ-CG1 3.73Å; F129-L148 HydrophobicContact CE2-CD1 4.31Å; F129-L148 HydrophobicContact CZ-CD1 4.07Å; F129-L177 HydrophobicContact CD2-CD2 4.34Å; F129-L177 HydrophobicContact CE2-CB 3.98Å; F129-L177 HydrophobicContact CE2-CD2 3.94Å; F129-L177 WeakPolarHBondContact CE2-O 3.46Å; F129-L181 HydrophobicContact CB-CD1 4.15Å; F129-L181 HydrophobicContact CD1-CD1 3.83Å; F129-L181 HydrophobicContact CD1-CD2 4.17Å; F129-L181 HydrophobicContact CD1-CG 4.44Å; F129-L181 HydrophobicContact CD2-CB 3.71Å; F129-L181 HydrophobicContact CD2-CD1 4.26Å; F129-L181 HydrophobicContact CD2-CD2 4.43Å; F129-L181 HydrophobicContact CD2-CG 4.37Å; F129-L181 HydrophobicContact CE1-CD1 4.3Å; F129-L181 HydrophobicContact CE1-CD2 3.77Å; F129-L181 HydrophobicContact CE2-CB 3.79Å; F129-L181 HydrophobicContact CE2-CD2 4.04Å; F129-L181 HydrophobicContact CE2-CG 4.41Å; F129-L181 HydrophobicContact CG-CB 4.17Å; F129-L181 HydrophobicContact CG-CD1 3.81Å; F129-L181 HydrophobicContact CG-CD2 4.49Å; F129-L181 HydrophobicContact CG-CG 4.39Å; F129-L181 HydrophobicContact CZ-CB 4.32Å; F129-L181 HydrophobicContact CZ-CD2 3.7Å; F129-L181 HydrophobicContact CZ-CG 4.49Å; F129-L203 VanDerWaalsContact O-CB 3.24Å; F129-L203 WeakPolarHBondContact O-CB 3.49Å
130	A	97.5	Very high	97.5	Very high	43 Å²	43	39.4 Å²	39.4	36%	0.355	20%	0.199	S	C	.	.			trans	-76.5	66.9	170.5	0	0	0	0	0	110.5	N128 L204	N128-A130 WeakPolarHBondContact OD1-CA 3.14Å; N128-A130 VanDerWaalsContact OD1-CB 3.23Å; N128-A130 WeakPolarHBondContact OD1-CB 3.34Å; N128-A130 PolarHBondContact OD1-N 3.21Å; A130-L204 HydrophobicContact CB-CD2 3.9Å
131	K	94.9	Very high	97.5	Very high	48 Å²	48	39.4 Å²	39.4	21%	0.209	20%	0.199	C	C	.	.			trans	-120.5	141.5	-175.5	-62.9	-70.6	-166.8	152.7	0	110.7	D95 N128 F129 S133 L204	D95-K131 WeakPolarHBondContact O-CE 3.23Å; D95-K131 PolarHBondContact O-NZ 3.35Å; D95-K131 IonicContact OD2-NZ 3.73Å; D95-K131 PolarHBondContact OD2-NZ 3.14Å; N128-K131 WeakPolarHBondContact ND2-CE 2.99Å; N128-K131 WeakPolarHBondContact O-CE 3.29Å; N128-K131 WeakPolarHBondContact O-CG 3.25Å; F129-K131 PolarHBondContact O-N 2.71Å; K131-S133 PolarHBondContact O-N 3.21Å; K131-L204 VanDerWaalsContact C-CD1 3.48Å; K131-L204 WeakPolarHBondContact O-CG 3.21Å
132	D	94.2	Very high	97.5	Very high	95 Å²	95	34.8 Å²	34.8	51%	0.508	18%	0.182	S	C	.	.	S	Bend	trans	-77.3	72.3	172.1	-166.9	13.1	0	0	0	110	L204 Y205	D132-L204 HydrophobicContact CB-CD1 3.91Å; D132-Y205 WeakPolarHBondContact OD1-CE2 3.45Å
133	S	95.6	Very high	97.5	Very high	7 Å²	7	34.3 Å²	34.3	5%	0.049	18%	0.178	C	C	.	.			trans	-134.5	131.9	-178.5	-56.1	0	0	0	0	108.1	G94 K131 S202 L203	G94-S133 WeakPolarHBondContact O-CB 3.41Å; G94-S133 PolarHBondContact O-OG 3.02Å; K131-S133 PolarHBondContact O-N 3.21Å; S133-S202 WeakPolarHBondContact O-CA 3.13Å; S133-L203 PolarHBondContact O-N 3.26Å
134	I	96.1	Very high	97.5	Very high	67 Å²	67	34.3 Å²	34.3	34%	0.344	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.2	167.9	-63.6	168.1	0	0	0	106.4	R200 V201 P208	I134-R200 HydrophobicContact CG2-CB 3.93Å; I134-V201 WeakPolarHBondContact CA-O 3.25Å; I134-P208 HydrophobicContact CD1-CG 3.79Å; I134-P208 HydrophobicContact CG1-CG 4.2Å; I134-P208 HydrophobicContact CG2-CG 4.46Å
135	V	97.3	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.2	-175.1	-63.1	0	0	0	0	110.7	Y96 V140 R200 V201 L203	Y96-V135 HydrophobicContact CE1-CG1 4.4Å; V135-V140 HydrophobicContact CB-CG2 3.5Å; V135-V140 HydrophobicContact CG1-CG2 4.19Å; V135-V140 HydrophobicContact CG2-CG2 3.55Å; V135-R200 WeakPolarHBondContact O-CA 3.22Å; V135-V201 HydrophobicContact CG2-CG1 4.41Å; V135-V201 PolarHBondContact N-O 3.46Å; V135-V201 PolarHBondContact O-N 3.26Å; V135-L203 HydrophobicContact CG1-CD1 4.29Å; V135-L203 HydrophobicContact CG1-CG 4.44Å; V135-L203 HydrophobicContact CG2-CD1 4.46Å; V135-L203 HydrophobicContact CG2-CD2 3.67Å; V135-L203 HydrophobicContact CG2-CG 3.92Å
136	Q	97.6	Very high	97.6	Very high	25 Å²	25	24.9 Å²	24.9	12%	0.117	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	130.6	174.2	-168.2	180	8.4	0	0	110.4	D91 F138 E139 V140 P199	D91-Q136 HydrophobicContact CB-CB 3.7Å; D91-Q136 PolarHBondContact O-N 3Å; D91-Q136 PolarHBondContact OD2-OE1 3.36Å; Q136-F138 VanDerWaalsContact C-N 3.26Å; Q136-F138 HydrophobicContact CG-CB 4.22Å; Q136-F138 PolarHBondContact O-N 3.49Å; Q136-E139 HydrophobicContact CB-CB 4.29Å; Q136-E139 HydrophobicContact CB-CG 3.99Å; Q136-E139 HydrophobicContact CG-CG 4.31Å; Q136-E139 PolarHBondContact O-N 3.17Å; Q136-V140 VanDerWaalsContact O-CG2 3.24Å; Q136-V140 WeakPolarHBondContact O-CG2 3.1Å; Q136-V140 PolarHBondContact O-N 3.39Å; Q136-P199 WeakPolarHBondContact CA-O 3.5Å; Q136-P199 VanDerWaalsContact CG-O 3.29Å; Q136-P199 WeakPolarHBondContact CG-O 3.18Å
137	V	98.3	Very high	97.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-41.4	-177	175.9	0	0	0	0	111.2	T141 A188 F189 Y198 P199 V201 L223	V137-T141 VanDerWaalsContact O-CB 3.26Å; V137-T141 WeakPolarHBondContact O-CB 3.22Å; V137-T141 PolarHBondContact O-N 3.38Å; V137-T141 VanDerWaalsContact O-N 3.16Å; V137-T141 PolarHBondContact O-OG1 2.91Å; V137-A188 HydrophobicContact CG2-CB 3.58Å; V137-F189 HydrophobicContact CG1-CE2 4.48Å; V137-Y198 WeakPolarHBondContact CG2-O 3.21Å; V137-P199 PolarHBondContact N-O 2.92Å; V137-V201 HydrophobicContact CG2-CB 4.45Å; V137-V201 HydrophobicContact CG2-CG1 3.95Å; V137-L223 HydrophobicContact CG1-CD1 4.1Å; V137-L223 HydrophobicContact CG1-CD2 4.29Å
138	F	98.4	Very high	97.7	Very high	22 Å²	22	21 Å²	21	10%	0.096	11%	0.111	C	C	.	.	H	α-helix	trans	-58.3	-65.4	177.1	172.6	-111.6	0	0	0	112.1	Q136 V140 T141 I142 A218 T222	Q136-F138 VanDerWaalsContact C-N 3.26Å; Q136-F138 HydrophobicContact CG-CB 4.22Å; Q136-F138 PolarHBondContact O-N 3.49Å; F138-V140 VanDerWaalsContact C-N 3.31Å; F138-V140 PolarHBondContact O-N 2.82Å; F138-T141 WeakPolarHBondContact O-CB 3.29Å; F138-T141 PolarHBondContact O-N 3.21Å; F138-I142 HydrophobicContact CD1-CD1 4.14Å; F138-I142 HydrophobicContact CD2-CD1 4.24Å; F138-I142 HydrophobicContact CD2-CG2 4.29Å; F138-I142 HydrophobicContact CE1-CD1 3.64Å; F138-I142 HydrophobicContact CE2-CD1 3.75Å; F138-I142 HydrophobicContact CE2-CG2 4.18Å; F138-I142 HydrophobicContact CG-CD1 4.43Å; F138-I142 HydrophobicContact CZ-CD1 3.43Å; F138-I142 VanDerWaalsContact CZ-CD1 3.43Å; F138-I142 WeakPolarHBondContact O-CG1 3.33Å; F138-I142 PolarHBondContact O-N 2.84Å; F138-A218 HydrophobicContact CE2-CB 4.38Å; F138-T222 HydrophobicContact CD2-CG2 4.43Å; F138-T222 VanDerWaalsContact CE2-CB 3.49Å; F138-T222 HydrophobicContact CE2-CG2 3.75Å
139	E	98.2	Very high	97.8	Very high	33 Å²	33	17.4 Å²	17.4	15%	0.154	9%	0.093	C	C	.	.	H	α-helix	trans	-53.5	-46	-174.5	-62.3	-69.5	147.9	0	0	112.4	V92 Q136 T141 I142 R143	V92-E139 HydrophobicContact CB-CB 4.45Å; V92-E139 HydrophobicContact CG2-CB 4.41Å; Q136-E139 HydrophobicContact CB-CB 4.29Å; Q136-E139 HydrophobicContact CB-CG 3.99Å; Q136-E139 HydrophobicContact CG-CG 4.31Å; Q136-E139 PolarHBondContact O-N 3.17Å; E139-T141 VanDerWaalsContact C-N 3.34Å; E139-T141 PolarHBondContact O-N 3.46Å; E139-I142 WeakPolarHBondContact O-CG1 3.24Å; E139-R143 WeakPolarHBondContact O-CB 3.21Å; E139-R143 PolarHBondContact O-N 3.28Å; E139-R143 IonicContact OE2-CZ 2.72Å; E139-R143 IonicContact OE2-NH1 3.51Å; E139-R143 PolarHBondContact OE2-NH1 3.45Å; E139-R143 IonicContact OE2-NH2 3.66Å; E139-R143 PolarHBondContact OE2-NH2 2.85Å
140	V	98.4	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	I	π-helix	trans	-69.8	-34.6	-177.9	178.4	0	0	0	0	111.5	V135 Q136 F138 V144 I145 L181 L185	V135-V140 HydrophobicContact CB-CG2 3.5Å; V135-V140 HydrophobicContact CG1-CG2 4.19Å; V135-V140 HydrophobicContact CG2-CG2 3.55Å; Q136-V140 VanDerWaalsContact O-CG2 3.24Å; Q136-V140 WeakPolarHBondContact O-CG2 3.1Å; Q136-V140 PolarHBondContact O-N 3.39Å; F138-V140 VanDerWaalsContact C-N 3.31Å; F138-V140 PolarHBondContact O-N 2.82Å; V140-V144 HydrophobicContact CG1-CB 4.36Å; V140-V144 HydrophobicContact CG1-CG2 4.29Å; V140-V144 WeakPolarHBondContact O-CA 3.46Å; V140-V144 VanDerWaalsContact O-CB 3.25Å; V140-V144 WeakPolarHBondContact O-CB 3.44Å; V140-V144 PolarHBondContact O-N 2.98Å; V140-I145 PolarHBondContact O-N 3.47Å; V140-L181 HydrophobicContact CG1-CD1 3.75Å; V140-L181 HydrophobicContact CG1-CD2 3.56Å; V140-L181 HydrophobicContact CG1-CG 3.84Å; V140-L185 HydrophobicContact CG1-CD1 4.36Å; V140-L185 HydrophobicContact CG1-CD2 4.43Å
141	T	98.8	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-67.5	-54.5	177.4	-60.6	0	0	0	0	110.1	V137 F138 E139 I145 G146 L185 L223 E226 F227	V137-T141 VanDerWaalsContact O-CB 3.26Å; V137-T141 WeakPolarHBondContact O-CB 3.22Å; V137-T141 PolarHBondContact O-N 3.38Å; V137-T141 VanDerWaalsContact O-N 3.16Å; V137-T141 PolarHBondContact O-OG1 2.91Å; F138-T141 WeakPolarHBondContact O-CB 3.29Å; F138-T141 PolarHBondContact O-N 3.21Å; E139-T141 VanDerWaalsContact C-N 3.34Å; E139-T141 PolarHBondContact O-N 3.46Å; T141-I145 HydrophobicContact CG2-CD1 4.48Å; T141-I145 WeakPolarHBondContact O-CB 3.5Å; T141-I145 PolarHBondContact O-N 3.4Å; T141-G146 PolarHBondContact O-N 2.9Å; T141-L185 WeakPolarHBondContact OG1-CD1 3.28Å; T141-L223 HydrophobicContact CG2-CB 4.32Å; T141-L223 HydrophobicContact CG2-CD2 3.72Å; T141-E226 HydrophobicContact CG2-CB 3.74Å; T141-E226 HydrophobicContact CG2-CG 4.15Å; T141-E226 WeakPolarHBondContact O-CG 3.45Å; T141-F227 HydrophobicContact CG2-CD1 3.88Å; T141-F227 HydrophobicContact CG2-CE1 3.75Å
142	I	98.6	Very high	98.1	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.068	C	C	.	.	I	π-helix	trans	-69	-39.1	-172.6	62.5	177.7	0	0	0	112.8	F138 E139 T222 T493 E494 H496	F138-I142 HydrophobicContact CD1-CD1 4.14Å; F138-I142 HydrophobicContact CD2-CD1 4.24Å; F138-I142 HydrophobicContact CD2-CG2 4.29Å; F138-I142 HydrophobicContact CE1-CD1 3.64Å; F138-I142 HydrophobicContact CE2-CD1 3.75Å; F138-I142 HydrophobicContact CE2-CG2 4.18Å; F138-I142 HydrophobicContact CG-CD1 4.43Å; F138-I142 HydrophobicContact CZ-CD1 3.43Å; F138-I142 VanDerWaalsContact CZ-CD1 3.43Å; F138-I142 WeakPolarHBondContact O-CG1 3.33Å; F138-I142 PolarHBondContact O-N 2.84Å; E139-I142 WeakPolarHBondContact O-CG1 3.24Å; I142-T222 HydrophobicContact CG2-CG2 4.02Å; I142-T222 WeakPolarHBondContact CG2-O 3.42Å; I142-T493 HydrophobicContact CB-CG2 3.77Å; I142-T493 HydrophobicContact CD1-CG2 3.78Å; I142-T493 HydrophobicContact CG1-CG2 4.33Å; I142-T493 HydrophobicContact CG2-CG2 3.72Å; I142-E494 HydrophobicContact CB-CG 3.72Å; I142-E494 HydrophobicContact CD1-CG 3.73Å; I142-E494 WeakPolarHBondContact CD1-OE1 3.35Å; I142-E494 HydrophobicContact CG1-CG 3.52Å; I142-H496 PolarHBondContact O-CD2 3.11Å
143	R	98.7	Very high	98.3	Very high	21 Å²	21	9.6 Å²	9.6	8%	0.079	5%	0.047	C	C	.	.	I	π-helix	trans	-83.3	-59.2	179.7	-69.1	-170.4	178.5	118.6	29.9	112.4	L98 E139 A147 E494 H496	L98-R143 HydrophobicContact CD1-CB 4.06Å; E139-R143 WeakPolarHBondContact O-CB 3.21Å; E139-R143 PolarHBondContact O-N 3.28Å; E139-R143 IonicContact OE2-CZ 2.72Å; E139-R143 IonicContact OE2-NH1 3.51Å; E139-R143 PolarHBondContact OE2-NH1 3.45Å; E139-R143 IonicContact OE2-NH2 3.66Å; E139-R143 PolarHBondContact OE2-NH2 2.85Å; R143-A147 WeakPolarHBondContact O-CB 3.49Å; R143-A147 PolarHBondContact O-N 3.12Å; R143-E494 HydrophobicContact CG-CB 4.38Å; R143-E494 HydrophobicContact CG-CG 3.61Å; R143-E494 WeakPolarHBondContact CG-OE2 3.28Å; R143-E494 IonicContact CZ-OE1 3.24Å; R143-E494 IonicContact CZ-OE2 3.03Å; R143-E494 VanDerWaalsContact NE-CD 3.32Å; R143-E494 IonicContact NE-OE1 3.62Å; R143-E494 PolarHBondContact NE-OE1 2.88Å; R143-E494 IonicContact NE-OE2 3.13Å; R143-E494 PolarHBondContact NE-OE2 3.29Å; R143-E494 IonicContact NH2-OE1 2.71Å; R143-E494 PolarHBondContact NH2-OE1 3.38Å; R143-E494 IonicContact NH2-OE2 3.55Å; R143-H496 PolarHBondContact O-NE2 3.01Å
144	V	98.8	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-79.9	-55.2	-166.9	-170.6	0	0	0	0	110.6	Y96 L98 I101 F129 V140 G146 A147 L148 L181	Y96-V144 HydrophobicContact CD2-CG2 4.21Å; Y96-V144 HydrophobicContact CE2-CG2 3.42Å; Y96-V144 VanDerWaalsContact CE2-CG2 3.42Å; L98-V144 HydrophobicContact CD1-CG2 3.98Å; I101-V144 HydrophobicContact CD1-CG1 3.87Å; I101-V144 HydrophobicContact CG2-CG1 4.1Å; F129-V144 HydrophobicContact CE1-CG1 3.85Å; F129-V144 HydrophobicContact CZ-CG1 3.73Å; V140-V144 HydrophobicContact CG1-CB 4.36Å; V140-V144 HydrophobicContact CG1-CG2 4.29Å; V140-V144 WeakPolarHBondContact O-CA 3.46Å; V140-V144 VanDerWaalsContact O-CB 3.25Å; V140-V144 WeakPolarHBondContact O-CB 3.44Å; V140-V144 PolarHBondContact O-N 2.98Å; V144-G146 VanDerWaalsContact C-N 3.33Å; V144-G146 PolarHBondContact O-N 2.79Å; V144-A147 PolarHBondContact O-N 3.26Å; V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 WeakPolarHBondContact O-CB 3.38Å; V144-L148 WeakPolarHBondContact O-CG 3.42Å; V144-L148 PolarHBondContact O-N 3.19Å; V144-L181 HydrophobicContact CB-CD2 3.74Å; V144-L181 HydrophobicContact CG1-CD2 3.42Å; V144-L181 VanDerWaalsContact CG1-CD2 3.42Å
145	I	98.9	Very high	98.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-64.3	-43.4	179.3	-58.3	178.4	0	0	0	109.5	V140 T141 A147 L148 L149 A178 L181 A182 L185 E226 F227	V140-I145 PolarHBondContact O-N 3.47Å; T141-I145 HydrophobicContact CG2-CD1 4.48Å; T141-I145 WeakPolarHBondContact O-CB 3.5Å; T141-I145 PolarHBondContact O-N 3.4Å; I145-A147 PolarHBondContact O-N 3.19Å; I145-L148 PolarHBondContact O-N 3.27Å; I145-L149 HydrophobicContact CG2-CD1 3.62Å; I145-L149 HydrophobicContact CG2-CG 4.06Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 VanDerWaalsContact O-CG 3.23Å; I145-L149 WeakPolarHBondContact O-CG 3.46Å; I145-L149 PolarHBondContact O-N 3.47Å; I145-A178 HydrophobicContact CG2-CB 4.23Å; I145-L181 HydrophobicContact CD1-CD2 4.46Å; I145-L181 HydrophobicContact CD1-CG 4.23Å; I145-L181 HydrophobicContact CG1-CB 4.33Å; I145-L181 HydrophobicContact CG1-CD2 3.76Å; I145-L181 HydrophobicContact CG1-CG 4.04Å; I145-A182 HydrophobicContact CD1-CB 4Å; I145-L185 HydrophobicContact CD1-CD1 3.84Å; I145-E226 HydrophobicContact CB-CB 4.34Å; I145-E226 HydrophobicContact CG2-CB 3.88Å; I145-F227 HydrophobicContact CD1-CE1 4.02Å
146	G	98.8	Very high	98.6	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-53.9	-51.6	175.6	0	0	0	0	0	113.3	T141 V144 S150	T141-G146 PolarHBondContact O-N 2.9Å; V144-G146 VanDerWaalsContact C-N 3.33Å; V144-G146 PolarHBondContact O-N 2.79Å; G146-S150 VanDerWaalsContact O-CB 3.3Å; G146-S150 WeakPolarHBondContact O-CB 3.38Å; G146-S150 PolarHBondContact O-N 2.86Å
147	A	98.9	Very high	98.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.8	-46.1	179.2	0	0	0	0	0	112.7	I101 R143 V144 I145 L149 S150 A151 H496	I101-A147 HydrophobicContact CG2-CB 3.72Å; I101-A147 WeakPolarHBondContact O-CB 3.37Å; R143-A147 WeakPolarHBondContact O-CB 3.49Å; R143-A147 PolarHBondContact O-N 3.12Å; V144-A147 PolarHBondContact O-N 3.26Å; I145-A147 PolarHBondContact O-N 3.19Å; A147-L149 PolarHBondContact O-N 3.41Å; A147-S150 PolarHBondContact O-N 3.3Å; A147-A151 VanDerWaalsContact O-CB 3.26Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 2.88Å; A147-H496 PolarHBondContact N-CD2 3.19Å; A147-H496 PolarHBondContact N-NE2 3.36Å
148	L	98.9	Very high	98.4	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-61.3	-44	-179	-70.9	173	0	0	0	111.7	I101 I123 F129 V144 I145 H152 L174 L177 A178	I101-L148 HydrophobicContact CG2-CD2 4.21Å; I101-L148 HydrophobicContact CG2-CG 4.08Å; I123-L148 HydrophobicContact CG2-CD2 4.01Å; F129-L148 HydrophobicContact CE2-CD1 4.31Å; F129-L148 HydrophobicContact CZ-CD1 4.07Å; V144-L148 HydrophobicContact CG1-CD1 3.99Å; V144-L148 WeakPolarHBondContact O-CB 3.38Å; V144-L148 WeakPolarHBondContact O-CG 3.42Å; V144-L148 PolarHBondContact O-N 3.19Å; I145-L148 PolarHBondContact O-N 3.27Å; L148-H152 VanDerWaalsContact O-CB 3.23Å; L148-H152 WeakPolarHBondContact O-CB 3.26Å; L148-H152 PolarHBondContact O-N 3.32Å; L148-L174 HydrophobicContact CB-CB 4.48Å; L148-L174 HydrophobicContact CD2-CB 4.14Å; L148-L174 HydrophobicContact CD2-CD2 3.84Å; L148-L174 HydrophobicContact CD2-CG 4.44Å; L148-L177 HydrophobicContact CD1-CB 3.89Å; L148-L177 HydrophobicContact CD2-CB 4.42Å; L148-L177 HydrophobicContact CD2-CD1 4.37Å; L148-A178 HydrophobicContact CB-CB 4.01Å; L148-A178 HydrophobicContact CD1-CB 4.27Å
149	L	98.9	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-44	178.5	-68.4	176.4	0	0	0	111.7	I145 A147 H152 L153 L175 A178 E226 V229 L230 L233	I145-L149 HydrophobicContact CG2-CD1 3.62Å; I145-L149 HydrophobicContact CG2-CG 4.06Å; I145-L149 WeakPolarHBondContact O-CB 3.47Å; I145-L149 VanDerWaalsContact O-CG 3.23Å; I145-L149 WeakPolarHBondContact O-CG 3.46Å; I145-L149 PolarHBondContact O-N 3.47Å; A147-L149 PolarHBondContact O-N 3.41Å; L149-H152 WeakPolarHBondContact O-CB 3.35Å; L149-H152 PolarHBondContact O-N 2.66Å; L149-L153 WeakPolarHBondContact O-CB 3.26Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.06Å; L149-L175 HydrophobicContact CD2-CD1 3.79Å; L149-A178 HydrophobicContact CD2-CB 3.82Å; L149-A178 HydrophobicContact CG-CB 4.08Å; L149-E226 HydrophobicContact CD1-CB 4.34Å; L149-E226 VanDerWaalsContact CD1-O 3.29Å; L149-E226 WeakPolarHBondContact CD1-O 3.21Å; L149-V229 HydrophobicContact CB-CG1 4.29Å; L149-V229 HydrophobicContact CD1-CB 4.16Å; L149-V229 HydrophobicContact CD1-CG1 4Å; L149-V229 HydrophobicContact CD2-CG1 4.5Å; L149-L230 HydrophobicContact CD1-CB 4.09Å; L149-L230 HydrophobicContact CD2-CB 4.36Å; L149-L230 HydrophobicContact CD2-CD1 4.14Å; L149-L233 HydrophobicContact CD2-CD1 4.1Å
150	S	98.9	Very high	98.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-46.8	177.9	179.5	0	0	0	0	111.8	T105 G146 A147 L153 M154 P497	T105-S150 WeakPolarHBondContact CG2-OG 3.34Å; G146-S150 VanDerWaalsContact O-CB 3.3Å; G146-S150 WeakPolarHBondContact O-CB 3.38Å; G146-S150 PolarHBondContact O-N 2.86Å; A147-S150 PolarHBondContact O-N 3.3Å; S150-L153 PolarHBondContact O-N 3.37Å; S150-M154 WeakPolarHBondContact O-CG 3.49Å; S150-M154 PolarHBondContact O-N 3.31Å; S150-P497 WeakPolarHBondContact CB-O 3.49Å; S150-P497 WeakPolarHBondContact OG-CD 3.43Å; S150-P497 PolarHBondContact OG-O 2.96Å
151	A	98.9	Very high	97.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-41.7	175.5	0	0	0	0	0	112.5	V104 F116 A147 L153 M154 I155 L174	V104-A151 HydrophobicContact CG1-CB 3.72Å; F116-A151 HydrophobicContact CE2-CB 4.12Å; F116-A151 HydrophobicContact CZ-CB 4.14Å; A147-A151 VanDerWaalsContact O-CB 3.26Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 2.88Å; A151-L153 VanDerWaalsContact C-N 3.34Å; A151-L153 PolarHBondContact O-N 3.19Å; A151-M154 WeakPolarHBondContact O-CB 3.48Å; A151-M154 PolarHBondContact O-N 3.2Å; A151-I155 WeakPolarHBondContact O-CD1 3.4Å; A151-I155 VanDerWaalsContact O-CG1 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 3.28Å; A151-I155 VanDerWaalsContact O-N 3.1Å; A151-L174 HydrophobicContact CB-CD1 3.62Å
152	H	98.9	Very high	97.7	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.032	15%	0.151	C	C	.	.	H	α-helix	trans	-55.2	-51.1	172.8	169.1	73	0	0	0	110.9	L148 L149 M154 I155 V156 Y170 D172 L174	L148-H152 VanDerWaalsContact O-CB 3.23Å; L148-H152 WeakPolarHBondContact O-CB 3.26Å; L148-H152 PolarHBondContact O-N 3.32Å; L149-H152 WeakPolarHBondContact O-CB 3.35Å; L149-H152 PolarHBondContact O-N 2.66Å; H152-M154 VanDerWaalsContact C-N 3.27Å; H152-M154 PolarHBondContact O-N 3.22Å; H152-I155 PolarHBondContact O-N 3.26Å; H152-V156 WeakPolarHBondContact O-CG2 3.44Å; H152-V156 PolarHBondContact O-N 3.01Å; H152-Y170 AromaticContact ND1-CE1 3.62Å; H152-Y170 AromaticContact ND1-CZ 3.76Å; H152-Y170 PolarHBondContact ND1-OH 2.88Å; H152-D172 IonicContact CE1-OD1 3.63Å; H152-D172 PolarHBondContact CE1-OD1 3.47Å; H152-D172 VanDerWaalsContact CE1-OD1 3.3Å; H152-D172 IonicContact ND1-OD1 3.55Å; H152-L174 HydrophobicContact CB-CB 4.24Å
153	L	98.6	Very high	97.5	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-32	179.7	-71.2	169.7	0	0	0	112.7	L149 S150 A151 D157 V229 L233 L498 P499 L501 F504	L149-L153 WeakPolarHBondContact O-CB 3.26Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 3.06Å; S150-L153 PolarHBondContact O-N 3.37Å; A151-L153 VanDerWaalsContact C-N 3.34Å; A151-L153 PolarHBondContact O-N 3.19Å; L153-D157 VanDerWaalsContact O-CB 3.26Å; L153-D157 WeakPolarHBondContact O-CB 3.29Å; L153-D157 PolarHBondContact O-N 2.83Å; L153-V229 HydrophobicContact CD1-CG1 4.1Å; L153-L233 HydrophobicContact CD2-CD1 4.16Å; L153-L233 HydrophobicContact CD2-CD2 4.01Å; L153-L233 HydrophobicContact CG-CD1 4.4Å; L153-L498 HydrophobicContact CD1-CD2 4.07Å; L153-P499 HydrophobicContact CB-CG 4.34Å; L153-P499 HydrophobicContact CD1-CG 4.23Å; L153-L501 HydrophobicContact CD2-CD1 4.31Å; L153-F504 HydrophobicContact CD1-CE2 4.38Å; L153-F504 HydrophobicContact CD1-CZ 3.95Å; L153-F504 HydrophobicContact CD2-CZ 4.2Å
154	M	98.5	Very high	97.4	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.054	18%	0.18	C	C	.	.	H	α-helix	trans	-67.4	-39	172.4	-69.6	171.7	-173.2	0	0	112.9	T105 A108 F116 S150 A151 H152 L162 F165 P497	T105-M154 HydrophobicContact CG2-CE 4.16Å; A108-M154 HydrophobicContact CB-CE 4.24Å; A108-M154 HydrophobicContact CB-SD 3.47Å; A108-M154 WeakPolarHBondContact CB-SD 3.23Å; F116-M154 HydrophobicContact CE2-SD 4.07Å; F116-M154 HydrophobicContact CZ-CB 4.26Å; F116-M154 HydrophobicContact CZ-SD 4.38Å; S150-M154 WeakPolarHBondContact O-CG 3.49Å; S150-M154 PolarHBondContact O-N 3.31Å; A151-M154 WeakPolarHBondContact O-CB 3.48Å; A151-M154 PolarHBondContact O-N 3.2Å; H152-M154 VanDerWaalsContact C-N 3.27Å; H152-M154 PolarHBondContact O-N 3.22Å; M154-L162 HydrophobicContact CE-CD1 3.72Å; M154-L162 HydrophobicContact CG-CD1 3.9Å; M154-L162 HydrophobicContact SD-CD1 4.44Å; M154-F165 HydrophobicContact CB-CB 4.48Å; M154-F165 HydrophobicContact CB-CD2 4.11Å; M154-P497 HydrophobicContact CE-CG 3.43Å; M154-P497 VanDerWaalsContact CE-CG 3.43Å
155	I	98.7	Very high	97.3	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.062	18%	0.182	C	C	.	.	H	α-helix	trans	-71.9	-43.8	-177.2	-65.7	159.9	0	0	0	110.8	F116 V120 A151 H152 M167 Y170 L174	F116-I155 HydrophobicContact CE1-CD1 4.18Å; F116-I155 HydrophobicContact CE1-CG1 3.65Å; F116-I155 HydrophobicContact CZ-CD1 4.2Å; F116-I155 HydrophobicContact CZ-CG1 3.89Å; V120-I155 HydrophobicContact CG1-CD1 3.91Å; V120-I155 HydrophobicContact CG2-CD1 4.05Å; A151-I155 WeakPolarHBondContact O-CD1 3.4Å; A151-I155 VanDerWaalsContact O-CG1 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 3.28Å; A151-I155 VanDerWaalsContact O-N 3.1Å; H152-I155 PolarHBondContact O-N 3.26Å; I155-M167 HydrophobicContact CD1-SD 4.33Å; I155-M167 HydrophobicContact CG2-CB 4.16Å; I155-M167 HydrophobicContact CG2-CG 4.48Å; I155-Y170 HydrophobicContact CB-CD1 4.4Å; I155-Y170 HydrophobicContact CB-CE1 4.35Å; I155-Y170 HydrophobicContact CD1-CD2 4.18Å; I155-Y170 HydrophobicContact CD1-CE1 4.42Å; I155-Y170 HydrophobicContact CD1-CE2 3.88Å; I155-Y170 HydrophobicContact CG2-CD1 3.53Å; I155-Y170 HydrophobicContact CG2-CD2 4.41Å; I155-Y170 HydrophobicContact CG2-CE1 3.96Å; I155-Y170 HydrophobicContact CG2-CG 3.78Å; I155-L174 HydrophobicContact CD1-CD1 3.91Å
156	V	97.9	Very high	97.2	Very high	63 Å²	63	35.8 Å²	35.8	38%	0.382	19%	0.194	S	C	.	.	H	α-helix	trans	-90.4	-0.6	-173.1	-52.5	0	0	0	0	113.6	H152 P158 Y170	H152-V156 WeakPolarHBondContact O-CG2 3.44Å; H152-V156 PolarHBondContact O-N 3.01Å; V156-P158 WeakPolarHBondContact O-CD 3.03Å; V156-Y170 HydrophobicContact CG1-CD1 4.11Å; V156-Y170 HydrophobicContact CG1-CE1 3.79Å
157	D	96.7	Very high	97.1	Very high	32 Å²	32	36.4 Å²	36.4	17%	0.171	20%	0.196	C	C	.	.			trans	-69.4	110.9	-179.3	177.6	19.6	0	0	0	112.1	L153 K159 R160 L161	L153-D157 VanDerWaalsContact O-CB 3.26Å; L153-D157 WeakPolarHBondContact O-CB 3.29Å; L153-D157 PolarHBondContact O-N 2.83Å; D157-K159 PolarHBondContact O-N 3.19Å; D157-K159 WeakPolarHBondContact OD1-CB 3.49Å; D157-K159 PolarHBondContact OD1-N 3.03Å; D157-R160 VanDerWaalsContact CG-N 3.35Å; D157-R160 PolarHBondContact O-N 2.94Å; D157-R160 WeakPolarHBondContact OD2-CA 3.34Å; D157-R160 PolarHBondContact OD2-N 3.03Å; D157-L161 WeakPolarHBondContact OD2-CG 3.16Å; D157-L161 PolarHBondContact OD2-N 3.48Å
158	P	94.6	Very high	97	Very high	121 Å²	121	42.8 Å²	42.8	79%	0.786	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.2	178.2	30.4	-36.2	0	0	0	112.8	V156	V156-P158 WeakPolarHBondContact O-CD 3.03Å
159	K	95.2	Very high	96.9	Very high	155 Å²	155	46.8 Å²	46.8	67%	0.674	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.8	179	-65.1	-179	179.5	178.3	0	112.4	D157 L161	D157-K159 PolarHBondContact O-N 3.19Å; D157-K159 WeakPolarHBondContact OD1-CB 3.49Å; D157-K159 PolarHBondContact OD1-N 3.03Å; K159-L161 HydrophobicContact CB-CD2 3.93Å; K159-L161 HydrophobicContact CB-CG 3.91Å; K159-L161 HydrophobicContact CD-CD2 4.33Å; K159-L161 PolarHBondContact O-N 3.07Å
160	R	95.2	Very high	96.9	Very high	138 Å²	138	48.1 Å²	48.1	52%	0.521	26%	0.262	S	S	.	.			trans	51.5	43.1	179.8	-58.3	176.2	179.3	-161.7	-11.8	111.7	D157 L162 G163 D164	D157-R160 VanDerWaalsContact CG-N 3.35Å; D157-R160 PolarHBondContact O-N 2.94Å; D157-R160 WeakPolarHBondContact OD2-CA 3.34Å; D157-R160 PolarHBondContact OD2-N 3.03Å; R160-L162 PolarHBondContact O-N 3.25Å; R160-G163 WeakPolarHBondContact CB-O 3.4Å; R160-G163 PolarHBondContact O-N 2.66Å; R160-D164 VanDerWaalsContact CZ-CG 3.42Å; R160-D164 IonicContact CZ-OD1 3.11Å; R160-D164 IonicContact CZ-OD2 2.89Å; R160-D164 IonicContact NE-OD1 3.19Å; R160-D164 IonicContact NH1-OD1 2.94Å; R160-D164 PolarHBondContact NH1-OD1 2.68Å; R160-D164 IonicContact NH1-OD2 3.58Å; R160-D164 PolarHBondContact NH1-OD2 3.16Å; R160-D164 IonicContact NH2-OD1 2.81Å; R160-D164 PolarHBondContact NH2-OD1 3.12Å; R160-D164 IonicContact NH2-OD2 3.18Å
161	L	94.1	Very high	96.8	Very high	38 Å²	38	55.5 Å²	55.5	20%	0.199	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36.6	-172.9	-64.5	173.8	0	0	0	111.7	D157 K159 P481 M485 F489	D157-L161 WeakPolarHBondContact OD2-CG 3.16Å; D157-L161 PolarHBondContact OD2-N 3.48Å; K159-L161 HydrophobicContact CB-CD2 3.93Å; K159-L161 HydrophobicContact CB-CG 3.91Å; K159-L161 HydrophobicContact CD-CD2 4.33Å; K159-L161 PolarHBondContact O-N 3.07Å; L161-P481 WeakPolarHBondContact O-CB 3.45Å; L161-M485 HydrophobicContact CB-CE 4.23Å; L161-M485 HydrophobicContact CD2-SD 4.34Å; L161-M485 WeakPolarHBondContact O-CE 3.4Å; L161-F489 HydrophobicContact CB-CZ 3.81Å; L161-F489 HydrophobicContact CD1-CZ 4.3Å
162	L	95.4	Very high	96.8	Very high	20 Å²	20	59 Å²	59	11%	0.105	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6	179.8	-63.8	178.2	0	0	0	113.6	L109 M154 R160 F165 P481 V482 F489 P497	L109-L162 HydrophobicContact CD2-CD1 4.39Å; L109-L162 HydrophobicContact CD2-CD2 4.2Å; M154-L162 HydrophobicContact CE-CD1 3.72Å; M154-L162 HydrophobicContact CG-CD1 3.9Å; M154-L162 HydrophobicContact SD-CD1 4.44Å; R160-L162 PolarHBondContact O-N 3.25Å; L162-F165 VanDerWaalsContact C-CE2 3.5Å; L162-F165 HydrophobicContact CB-CE2 3.92Å; L162-F165 WeakPolarHBondContact O-CE2 3Å; L162-P481 HydrophobicContact CD2-CB 4.05Å; L162-V482 HydrophobicContact CD2-CG1 3.44Å; L162-V482 VanDerWaalsContact CD2-CG1 3.44Å; L162-F489 HydrophobicContact CD1-CD1 4.5Å; L162-F489 HydrophobicContact CD1-CE1 3.82Å; L162-F489 HydrophobicContact CD1-CZ 4.26Å; L162-F489 HydrophobicContact CD2-CD1 4.47Å; L162-F489 HydrophobicContact CD2-CE1 3.71Å; L162-F489 HydrophobicContact CD2-CE2 3.81Å; L162-F489 HydrophobicContact CD2-CZ 3.32Å; L162-F489 HydrophobicContact CG-CE1 3.71Å; L162-F489 HydrophobicContact CG-CZ 3.64Å; L162-P497 HydrophobicContact CD1-CG 4.33Å
163	G	94.4	Very high	96.8	Very high	28 Å²	28	61 Å²	61	29%	0.289	32%	0.322	S	S	.	.			trans	130	174.8	-174.1	0	0	0	0	0	113.2	R160 F165	R160-G163 WeakPolarHBondContact CB-O 3.4Å; R160-G163 PolarHBondContact O-N 2.66Å; G163-F165 PolarHBondContact O-N 3.24Å; G163-F165 VanDerWaalsContact O-N 3.16Å
164	D	95.3	Very high	96.8	Very high	78 Å²	78	60.3 Å²	60.3	42%	0.417	32%	0.318	S	S	.	.			trans	-85.5	83.5	179.7	-169.1	5	0	0	0	111.7	R117 R160	R117-D164 PolarHBondContact NH1-O 2.65Å; R160-D164 VanDerWaalsContact CZ-CG 3.42Å; R160-D164 IonicContact CZ-OD1 3.11Å; R160-D164 IonicContact CZ-OD2 2.89Å; R160-D164 IonicContact NE-OD1 3.19Å; R160-D164 IonicContact NH1-OD1 2.94Å; R160-D164 PolarHBondContact NH1-OD1 2.68Å; R160-D164 IonicContact NH1-OD2 3.58Å; R160-D164 PolarHBondContact NH1-OD2 3.16Å; R160-D164 IonicContact NH2-OD1 2.81Å; R160-D164 PolarHBondContact NH2-OD1 3.12Å; R160-D164 IonicContact NH2-OD2 3.18Å
165	F	97.4	Very high	96.8	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.035	32%	0.32	C	S	.	.			trans	-100.5	7.1	177.2	-57.2	-62.6	0	0	0	113.7	A108 F116 M154 L162 G163	A108-F165 HydrophobicContact CB-CD1 4.32Å; A108-F165 HydrophobicContact CB-CD2 4.37Å; A108-F165 HydrophobicContact CB-CE1 3.78Å; A108-F165 HydrophobicContact CB-CE2 3.8Å; A108-F165 HydrophobicContact CB-CZ 3.51Å; A108-F165 WeakPolarHBondContact O-CZ 3.41Å; F116-F165 HydrophobicContact CB-CD1 4.29Å; F116-F165 HydrophobicContact CD1-CB 3.93Å; F116-F165 AromaticContact CD1-CD1 3.7Å; F116-F165 HydrophobicContact CD1-CD1 3.7Å; F116-F165 HydrophobicContact CD1-CG 4.07Å; F116-F165 HydrophobicContact CE1-CB 3.69Å; F116-F165 HydrophobicContact CE1-CD1 4.25Å; F116-F165 HydrophobicContact CE1-CG 4.14Å; F116-F165 HydrophobicContact CG-CD1 4.01Å; F116-F165 HydrophobicContact CZ-CB 4.48Å; M154-F165 HydrophobicContact CB-CB 4.48Å; M154-F165 HydrophobicContact CB-CD2 4.11Å; L162-F165 VanDerWaalsContact C-CE2 3.5Å; L162-F165 HydrophobicContact CB-CE2 3.92Å; L162-F165 WeakPolarHBondContact O-CE2 3Å; G163-F165 PolarHBondContact O-N 3.24Å; G163-F165 VanDerWaalsContact O-N 3.16Å
166	G	96.5	Very high	96.8	Very high	24 Å²	24	64.5 Å²	64.5	25%	0.247	34%	0.341	C	S	.	.			trans	-56.2	144.1	179.3	0	0	0	0	0	112.4	R117	R117-G166 PolarHBondContact NH1-O 2.88Å
167	M	97.7	Very high	96.9	Very high	13 Å²	13	62.8 Å²	62.8	6%	0.064	33%	0.329	C	S	.	.			trans	-132.8	104.8	179	-71.1	179.5	68.7	0	0	108.5	R117 V120 R121 I155 E169 Y170	R117-M167 HydrophobicContact CB-CE 4.5Å; R117-M167 HydrophobicContact CB-CG 4.41Å; R117-M167 HydrophobicContact CB-SD 4.15Å; R117-M167 HydrophobicContact CG-CG 3.64Å; R117-M167 HydrophobicContact CG-SD 3.83Å; V120-M167 HydrophobicContact CB-CE 4.41Å; V120-M167 HydrophobicContact CB-SD 3.98Å; V120-M167 HydrophobicContact CG1-CE 4.03Å; V120-M167 HydrophobicContact CG1-SD 3.67Å; R121-M167 HydrophobicContact CG-CE 3.75Å; I155-M167 HydrophobicContact CD1-SD 4.33Å; I155-M167 HydrophobicContact CG2-CB 4.16Å; I155-M167 HydrophobicContact CG2-CG 4.48Å; M167-E169 PolarHBondContact O-N 3.25Å; M167-E169 VanDerWaalsContact O-N 3.14Å; M167-Y170 WeakPolarHBondContact O-CB 3.42Å; M167-Y170 PolarHBondContact O-N 3.47Å
168	P	95.8	Very high	97	Very high	134 Å²	134	61.2 Å²	61.2	87%	0.87	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.5	-177	-26.8	35.2	0	0	0	114.8
169	E	97.1	Very high	97.2	Very high	87 Å²	87	57.9 Å²	57.9	41%	0.407	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.4	179.4	67.2	-88.6	-147.8	0	0	114.4	R121 M167	R121-E169 IonicContact CZ-OE1 2.65Å; R121-E169 VanDerWaalsContact CZ-OE1 3.31Å; R121-E169 IonicContact NE-OE1 3.77Å; R121-E169 PolarHBondContact NE-OE1 3.31Å; R121-E169 IonicContact NH2-OE1 3.65Å; R121-E169 PolarHBondContact NH2-OE1 3.4Å; M167-E169 PolarHBondContact O-N 3.25Å; M167-E169 VanDerWaalsContact O-N 3.14Å
170	Y	98.5	Very high	97.4	Very high	27 Å²	27	52.9 Å²	52.9	11%	0.106	28%	0.275	C	S	.	.			trans	-73.6	133.5	-172.7	-175.8	-101.9	0	0	0	112.2	I124 H152 I155 V156 M167 E173 L174	I124-Y170 HydrophobicContact CD1-CD2 4.18Å; I124-Y170 HydrophobicContact CD1-CE2 4.31Å; H152-Y170 AromaticContact ND1-CE1 3.62Å; H152-Y170 AromaticContact ND1-CZ 3.76Å; H152-Y170 PolarHBondContact ND1-OH 2.88Å; I155-Y170 HydrophobicContact CB-CD1 4.4Å; I155-Y170 HydrophobicContact CB-CE1 4.35Å; I155-Y170 HydrophobicContact CD1-CD2 4.18Å; I155-Y170 HydrophobicContact CD1-CE1 4.42Å; I155-Y170 HydrophobicContact CD1-CE2 3.88Å; I155-Y170 HydrophobicContact CG2-CD1 3.53Å; I155-Y170 HydrophobicContact CG2-CD2 4.41Å; I155-Y170 HydrophobicContact CG2-CE1 3.96Å; I155-Y170 HydrophobicContact CG2-CG 3.78Å; V156-Y170 HydrophobicContact CG1-CD1 4.11Å; V156-Y170 HydrophobicContact CG1-CE1 3.79Å; M167-Y170 WeakPolarHBondContact O-CB 3.42Å; M167-Y170 PolarHBondContact O-N 3.47Å; Y170-E173 WeakPolarHBondContact CD2-OE2 3.49Å; Y170-E173 HydrophobicContact CE2-CB 4.35Å; Y170-E173 WeakPolarHBondContact CE2-OE2 3.32Å; Y170-L174 HydrophobicContact CE2-CB 4.46Å; Y170-L174 HydrophobicContact CE2-CG 3.93Å; Y170-L174 VanDerWaalsContact OH-CB 3.29Å; Y170-L174 WeakPolarHBondContact OH-CB 3.23Å; Y170-L174 PolarHBondContact OH-N 2.85Å
171	K	98.1	Very high	97.5	Very high	157 Å²	157	46.3 Å²	46.3	68%	0.683	25%	0.251	S	S	*	.			trans	-130.8	49.5	-176.3	-59.3	175.6	-174.9	173.1	0	110.9	E173	K171-E173 WeakPolarHBondContact CA-OE2 3.43Å; K171-E173 VanDerWaalsContact N-CD 3.27Å; K171-E173 PolarHBondContact N-OE1 2.88Å; K171-E173 PolarHBondContact N-OE2 2.77Å; K171-E173 PolarHBondContact O-N 2.65Å
172	D	98.6	Very high	97.8	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	24%	0.241	S	C	.	.	S	Bend	trans	60.6	25.4	177.5	-55	-35.2	0	0	0	113.9	H152 L174 L175 N176	H152-D172 IonicContact CE1-OD1 3.63Å; H152-D172 PolarHBondContact CE1-OD1 3.47Å; H152-D172 VanDerWaalsContact CE1-OD1 3.3Å; H152-D172 IonicContact ND1-OD1 3.55Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 2.76Å; D172-L175 HydrophobicContact CB-CB 4.27Å; D172-L175 WeakPolarHBondContact O-CB 3.35Å; D172-L175 PolarHBondContact O-N 3.45Å; D172-N176 PolarHBondContact O-N 2.83Å; D172-N176 PolarHBondContact O-ND2 2.85Å
173	E	98.8	Very high	97.9	Very high	49 Å²	49	47.2 Å²	47.2	23%	0.229	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-37.6	-173.6	-65.2	87.6	167.2	0	0	112.7	I124 Y170 K171 N176 L177	I124-E173 HydrophobicContact CD1-CB 3.79Å; I124-E173 HydrophobicContact CD1-CG 4.13Å; I124-E173 HydrophobicContact CG1-CB 3.71Å; I124-E173 HydrophobicContact CG1-CG 4.32Å; I124-E173 HydrophobicContact CG2-CB 4.25Å; I124-E173 HydrophobicContact CG2-CG 4.08Å; Y170-E173 WeakPolarHBondContact CD2-OE2 3.49Å; Y170-E173 HydrophobicContact CE2-CB 4.35Å; Y170-E173 WeakPolarHBondContact CE2-OE2 3.32Å; K171-E173 WeakPolarHBondContact CA-OE2 3.43Å; K171-E173 VanDerWaalsContact N-CD 3.27Å; K171-E173 PolarHBondContact N-OE1 2.88Å; K171-E173 PolarHBondContact N-OE2 2.77Å; K171-E173 PolarHBondContact O-N 2.65Å; E173-N176 PolarHBondContact O-N 3.4Å; E173-L177 WeakPolarHBondContact O-CB 3.41Å; E173-L177 WeakPolarHBondContact O-CG 3.35Å; E173-L177 PolarHBondContact O-N 3.45Å
174	L	98.9	Very high	98.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-35.3	176.7	-53.4	-177.7	0	0	0	112.1	V120 I123 I124 L148 A151 H152 I155 Y170 D172 N176 L177 A178	V120-L174 HydrophobicContact CG1-CD1 4.13Å; V120-L174 HydrophobicContact CG1-CD2 4.39Å; V120-L174 HydrophobicContact CG1-CG 4.39Å; V120-L174 HydrophobicContact CG2-CD1 4.22Å; I123-L174 HydrophobicContact CB-CD2 4.29Å; I123-L174 HydrophobicContact CG2-CD2 3.6Å; I124-L174 HydrophobicContact CG1-CD2 4.16Å; L148-L174 HydrophobicContact CB-CB 4.48Å; L148-L174 HydrophobicContact CD2-CB 4.14Å; L148-L174 HydrophobicContact CD2-CD2 3.84Å; L148-L174 HydrophobicContact CD2-CG 4.44Å; A151-L174 HydrophobicContact CB-CD1 3.62Å; H152-L174 HydrophobicContact CB-CB 4.24Å; I155-L174 HydrophobicContact CD1-CD1 3.91Å; Y170-L174 HydrophobicContact CE2-CB 4.46Å; Y170-L174 HydrophobicContact CE2-CG 3.93Å; Y170-L174 VanDerWaalsContact OH-CB 3.29Å; Y170-L174 WeakPolarHBondContact OH-CB 3.23Å; Y170-L174 PolarHBondContact OH-N 2.85Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 2.76Å; L174-N176 VanDerWaalsContact C-N 3.34Å; L174-L177 HydrophobicContact CD2-CD1 4.23Å; L174-L177 PolarHBondContact O-N 3.08Å; L174-A178 WeakPolarHBondContact O-CB 3.33Å; L174-A178 PolarHBondContact O-N 3.37Å
175	L	98.9	Very high	98.3	Very high	16 Å²	16	45 Å²	45	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-40.8	173.1	178	62.5	0	0	0	110.6	L149 D172 A178 H179 L230 L233 V234	L149-L175 HydrophobicContact CD2-CD1 3.79Å; D172-L175 HydrophobicContact CB-CB 4.27Å; D172-L175 WeakPolarHBondContact O-CB 3.35Å; D172-L175 PolarHBondContact O-N 3.45Å; L175-A178 PolarHBondContact O-N 2.79Å; L175-H179 VanDerWaalsContact O-CB 3.32Å; L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.1Å; L175-L230 HydrophobicContact CD1-CD1 3.85Å; L175-L233 HydrophobicContact CD1-CB 3.93Å; L175-L233 HydrophobicContact CD1-CD1 4Å; L175-L233 HydrophobicContact CD2-CB 4.23Å; L175-V234 HydrophobicContact CD1-CG1 3.98Å; L175-V234 HydrophobicContact CD2-CG1 4.32Å; L175-V234 HydrophobicContact CG-CG1 4.19Å
176	N	98.8	Very high	98.3	Very high	94 Å²	94	45.5 Å²	45.5	50%	0.503	24%	0.235	S	C	.	.	H	α-helix	trans	-63.4	-40.2	175.4	-67.9	-39	0	0	0	111.9	D172 E173 L174 H179 D180	D172-N176 PolarHBondContact O-N 2.83Å; D172-N176 PolarHBondContact O-ND2 2.85Å; E173-N176 PolarHBondContact O-N 3.4Å; L174-N176 VanDerWaalsContact C-N 3.34Å; N176-H179 PolarHBondContact O-N 2.68Å; N176-D180 WeakPolarHBondContact O-CB 3.49Å; N176-D180 PolarHBondContact O-N 3.01Å
177	L	98.9	Very high	98.4	Very high	27 Å²	27	45.9 Å²	45.9	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-47	173.1	-77.1	173.9	0	0	0	111.6	I123 V127 F129 L148 E173 L174 H179 D180 L181	I123-L177 HydrophobicContact CG2-CD1 3.85Å; V127-L177 HydrophobicContact CB-CD1 4.5Å; V127-L177 HydrophobicContact CG1-CD2 4.39Å; F129-L177 HydrophobicContact CD2-CD2 4.34Å; F129-L177 HydrophobicContact CE2-CB 3.98Å; F129-L177 HydrophobicContact CE2-CD2 3.94Å; F129-L177 WeakPolarHBondContact CE2-O 3.46Å; L148-L177 HydrophobicContact CD1-CB 3.89Å; L148-L177 HydrophobicContact CD2-CB 4.42Å; L148-L177 HydrophobicContact CD2-CD1 4.37Å; E173-L177 WeakPolarHBondContact O-CB 3.41Å; E173-L177 WeakPolarHBondContact O-CG 3.35Å; E173-L177 PolarHBondContact O-N 3.45Å; L174-L177 HydrophobicContact CD2-CD1 4.23Å; L174-L177 PolarHBondContact O-N 3.08Å; L177-H179 VanDerWaalsContact C-N 3.3Å; L177-H179 PolarHBondContact O-N 3.37Å; L177-D180 PolarHBondContact O-N 2.67Å; L177-L181 WeakPolarHBondContact O-CB 3.35Å; L177-L181 PolarHBondContact O-N 3.1Å
178	A	98.9	Very high	98.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-42	176.6	0	0	0	0	0	111.6	I145 L148 L149 L174 L175 A182 L230	I145-A178 HydrophobicContact CG2-CB 4.23Å; L148-A178 HydrophobicContact CB-CB 4.01Å; L148-A178 HydrophobicContact CD1-CB 4.27Å; L149-A178 HydrophobicContact CD2-CB 3.82Å; L149-A178 HydrophobicContact CG-CB 4.08Å; L174-A178 WeakPolarHBondContact O-CB 3.33Å; L174-A178 PolarHBondContact O-N 3.37Å; L175-A178 PolarHBondContact O-N 2.79Å; A178-A182 WeakPolarHBondContact O-CB 3.36Å; A178-A182 PolarHBondContact O-N 3.39Å; A178-L230 HydrophobicContact CB-CD1 4.43Å
179	H	98.8	Very high	98.5	Very high	50 Å²	50	39.2 Å²	39.2	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-47	176.9	-175	-112.5	0	0	0	112.7	L175 N176 L177 L181 A182 L183 L230 F239	L175-H179 VanDerWaalsContact O-CB 3.32Å; L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.1Å; N176-H179 PolarHBondContact O-N 2.68Å; L177-H179 VanDerWaalsContact C-N 3.3Å; L177-H179 PolarHBondContact O-N 3.37Å; H179-L181 VanDerWaalsContact C-N 3.32Å; H179-L181 PolarHBondContact O-N 3.5Å; H179-A182 PolarHBondContact O-N 3.08Å; H179-L183 WeakPolarHBondContact O-CG 3.13Å; H179-L183 PolarHBondContact O-N 2.86Å; H179-L230 HydrophobicContact CB-CD1 4.03Å; H179-F239 AromaticContact CD2-CE2 3.68Å; H179-F239 AromaticContact CD2-CZ 3.67Å; H179-F239 AromaticContact NE2-CE2 3.84Å; H179-F239 AromaticContact NE2-CZ 3.77Å
180	D	98.8	Very high	98.3	Very high	50 Å²	50	40.9 Å²	40.9	27%	0.267	20%	0.199	S	C	.	.	H	α-helix	trans	-57.3	-45.8	175.1	175.1	61.5	0	0	0	111.3	N176 L177 L183 R184	N176-D180 WeakPolarHBondContact O-CB 3.49Å; N176-D180 PolarHBondContact O-N 3.01Å; L177-D180 PolarHBondContact O-N 2.67Å; D180-L183 PolarHBondContact O-N 3.29Å; D180-R184 VanDerWaalsContact CG-NE 3.34Å; D180-R184 WeakPolarHBondContact O-CG 3.45Å; D180-R184 PolarHBondContact O-N 3.29Å; D180-R184 VanDerWaalsContact O-N 3.13Å; D180-R184 IonicContact OD1-CZ 3.25Å; D180-R184 IonicContact OD1-NE 3.67Å; D180-R184 PolarHBondContact OD1-NE 3.26Å; D180-R184 IonicContact OD1-NH2 2.84Å; D180-R184 PolarHBondContact OD1-NH2 2.8Å; D180-R184 IonicContact OD2-CZ 2.69Å; D180-R184 IonicContact OD2-NE 2.71Å; D180-R184 PolarHBondContact OD2-NE 3.01Å; D180-R184 IonicContact OD2-NH2 3.61Å; D180-R184 PolarHBondContact OD2-NH2 3.28Å
181	L	98.8	Very high	97.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-48.2	177.8	-173.7	51.5	0	0	0	111.8	F129 V140 V144 I145 L177 H179 L183 R184 L185 L203	F129-L181 HydrophobicContact CB-CD1 4.15Å; F129-L181 HydrophobicContact CD1-CD1 3.83Å; F129-L181 HydrophobicContact CD1-CD2 4.17Å; F129-L181 HydrophobicContact CD1-CG 4.44Å; F129-L181 HydrophobicContact CD2-CB 3.71Å; F129-L181 HydrophobicContact CD2-CD1 4.26Å; F129-L181 HydrophobicContact CD2-CD2 4.43Å; F129-L181 HydrophobicContact CD2-CG 4.37Å; F129-L181 HydrophobicContact CE1-CD1 4.3Å; F129-L181 HydrophobicContact CE1-CD2 3.77Å; F129-L181 HydrophobicContact CE2-CB 3.79Å; F129-L181 HydrophobicContact CE2-CD2 4.04Å; F129-L181 HydrophobicContact CE2-CG 4.41Å; F129-L181 HydrophobicContact CG-CB 4.17Å; F129-L181 HydrophobicContact CG-CD1 3.81Å; F129-L181 HydrophobicContact CG-CD2 4.49Å; F129-L181 HydrophobicContact CG-CG 4.39Å; F129-L181 HydrophobicContact CZ-CB 4.32Å; F129-L181 HydrophobicContact CZ-CD2 3.7Å; F129-L181 HydrophobicContact CZ-CG 4.49Å; V140-L181 HydrophobicContact CG1-CD1 3.75Å; V140-L181 HydrophobicContact CG1-CD2 3.56Å; V140-L181 HydrophobicContact CG1-CG 3.84Å; V144-L181 HydrophobicContact CB-CD2 3.74Å; V144-L181 HydrophobicContact CG1-CD2 3.42Å; V144-L181 VanDerWaalsContact CG1-CD2 3.42Å; I145-L181 HydrophobicContact CD1-CD2 4.46Å; I145-L181 HydrophobicContact CD1-CG 4.23Å; I145-L181 HydrophobicContact CG1-CB 4.33Å; I145-L181 HydrophobicContact CG1-CD2 3.76Å; I145-L181 HydrophobicContact CG1-CG 4.04Å; L177-L181 WeakPolarHBondContact O-CB 3.35Å; L177-L181 PolarHBondContact O-N 3.1Å; H179-L181 VanDerWaalsContact C-N 3.32Å; H179-L181 PolarHBondContact O-N 3.5Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 3.22Å; L181-R184 WeakPolarHBondContact O-CA 3.42Å; L181-R184 WeakPolarHBondContact O-CB 3.38Å; L181-R184 PolarHBondContact O-N 3.04Å; L181-L185 WeakPolarHBondContact O-CG 3.33Å; L181-L185 PolarHBondContact O-N 3.05Å; L181-L185 VanDerWaalsContact O-N 3.11Å; L181-L203 HydrophobicContact CD1-CD2 3.74Å
182	A	98.8	Very high	97.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-40.2	178.5	0	0	0	0	0	112.2	I145 A178 H179 R184 L185 L186 L230 F239	I145-A182 HydrophobicContact CD1-CB 4Å; A178-A182 WeakPolarHBondContact O-CB 3.36Å; A178-A182 PolarHBondContact O-N 3.39Å; H179-A182 PolarHBondContact O-N 3.08Å; A182-R184 VanDerWaalsContact C-N 3.29Å; A182-R184 PolarHBondContact O-N 3.4Å; A182-L185 PolarHBondContact O-N 3.1Å; A182-L185 VanDerWaalsContact O-N 3.07Å; A182-L186 PolarHBondContact O-N 3.14Å; A182-L186 VanDerWaalsContact O-N 3.16Å; A182-L230 HydrophobicContact CB-CD2 3.28Å; A182-F239 HydrophobicContact CB-CD1 3.66Å; A182-F239 HydrophobicContact CB-CE1 3.43Å; A182-F239 VanDerWaalsContact CB-CE1 3.43Å; A182-F239 HydrophobicContact CB-CG 4.49Å; A182-F239 HydrophobicContact CB-CZ 4.1Å
183	L	98.6	Very high	97.4	Very high	77 Å²	77	39.3 Å²	39.3	40%	0.403	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-38	174.3	-73.3	175.1	0	0	0	112.2	H179 D180 L181 L185 L186 F239	H179-L183 WeakPolarHBondContact O-CG 3.13Å; H179-L183 PolarHBondContact O-N 2.86Å; D180-L183 PolarHBondContact O-N 3.29Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 PolarHBondContact O-N 3.22Å; L183-L185 VanDerWaalsContact C-N 3.27Å; L183-L185 PolarHBondContact O-N 3.05Å; L183-L186 HydrophobicContact CD2-CD1 3.89Å; L183-L186 PolarHBondContact O-N 3.2Å; L183-F239 HydrophobicContact CD2-CE1 4.15Å; L183-F239 HydrophobicContact CD2-CZ 3.81Å; L183-F239 HydrophobicContact CG-CE1 4.43Å; L183-F239 HydrophobicContact CG-CZ 4.1Å
184	R	98.5	Very high	97.2	Very high	59 Å²	59	38.7 Å²	38.7	22%	0.223	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-23.1	175.3	-65.9	168	-170.8	-70	-13.1	113	D180 L181 A182 P187 L203	D180-R184 VanDerWaalsContact CG-NE 3.34Å; D180-R184 WeakPolarHBondContact O-CG 3.45Å; D180-R184 PolarHBondContact O-N 3.29Å; D180-R184 VanDerWaalsContact O-N 3.13Å; D180-R184 IonicContact OD1-CZ 3.25Å; D180-R184 IonicContact OD1-NE 3.67Å; D180-R184 PolarHBondContact OD1-NE 3.26Å; D180-R184 IonicContact OD1-NH2 2.84Å; D180-R184 PolarHBondContact OD1-NH2 2.8Å; D180-R184 IonicContact OD2-CZ 2.69Å; D180-R184 IonicContact OD2-NE 2.71Å; D180-R184 PolarHBondContact OD2-NE 3.01Å; D180-R184 IonicContact OD2-NH2 3.61Å; D180-R184 PolarHBondContact OD2-NH2 3.28Å; L181-R184 WeakPolarHBondContact O-CA 3.42Å; L181-R184 WeakPolarHBondContact O-CB 3.38Å; L181-R184 PolarHBondContact O-N 3.04Å; A182-R184 VanDerWaalsContact C-N 3.29Å; A182-R184 PolarHBondContact O-N 3.4Å; R184-P187 WeakPolarHBondContact O-CD 3.4Å; R184-L203 HydrophobicContact CB-CD2 4.28Å; R184-L203 WeakPolarHBondContact CD-O 3.42Å; R184-L203 PolarHBondContact NH1-O 2.84Å
185	L	98.5	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-83	-23.6	175.4	-58.7	-178.3	0	0	0	113.1	V140 T141 I145 L181 A182 L183 P187 A188 V201 L203 F227	V140-L185 HydrophobicContact CG1-CD1 4.36Å; V140-L185 HydrophobicContact CG1-CD2 4.43Å; T141-L185 WeakPolarHBondContact OG1-CD1 3.28Å; I145-L185 HydrophobicContact CD1-CD1 3.84Å; L181-L185 WeakPolarHBondContact O-CG 3.33Å; L181-L185 PolarHBondContact O-N 3.05Å; L181-L185 VanDerWaalsContact O-N 3.11Å; A182-L185 PolarHBondContact O-N 3.1Å; A182-L185 VanDerWaalsContact O-N 3.07Å; L183-L185 VanDerWaalsContact C-N 3.27Å; L183-L185 PolarHBondContact O-N 3.05Å; L185-P187 VanDerWaalsContact C-N 3.34Å; L185-A188 WeakPolarHBondContact O-CB 3.41Å; L185-A188 PolarHBondContact O-N 3.06Å; L185-V201 HydrophobicContact CD2-CG1 3.48Å; L185-V201 VanDerWaalsContact CD2-CG1 3.48Å; L185-L203 HydrophobicContact CD2-CD2 4.45Å; L185-F227 HydrophobicContact CD1-CE1 4.44Å; L185-F227 HydrophobicContact CD1-CZ 4.43Å
186	L	98.1	Very high	97	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.099	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-53.6	-36.2	-178	-69.4	-172.9	0	0	0	115.7	A182 L183 A188 F189 T238 F239 F242	A182-L186 PolarHBondContact O-N 3.14Å; A182-L186 VanDerWaalsContact O-N 3.16Å; L183-L186 HydrophobicContact CD2-CD1 3.89Å; L183-L186 PolarHBondContact O-N 3.2Å; L186-A188 PolarHBondContact O-N 2.79Å; L186-A188 VanDerWaalsContact O-N 3.08Å; L186-F189 PolarHBondContact O-N 3.01Å; L186-T238 HydrophobicContact CD1-CG2 4.15Å; L186-F239 HydrophobicContact CD1-CE1 3.96Å; L186-F239 HydrophobicContact CD2-CD1 3.78Å; L186-F239 HydrophobicContact CD2-CE1 3.97Å; L186-F239 HydrophobicContact CG-CD1 4.32Å; L186-F239 HydrophobicContact CG-CE1 4Å; L186-F242 HydrophobicContact CD2-CD2 3.67Å; L186-F242 HydrophobicContact CD2-CE2 3.84Å
187	P	97.6	Very high	96.9	Very high	33 Å²	33	33.7 Å²	33.7	21%	0.214	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-53.1	-28.2	174	-28.9	37.1	0	0	0	113.9	R184 L185 F189 Q190 V201 V207	R184-P187 WeakPolarHBondContact O-CD 3.4Å; L185-P187 VanDerWaalsContact C-N 3.34Å; P187-F189 PolarHBondContact O-N 2.92Å; P187-Q190 PolarHBondContact O-N 2.75Å; P187-Q190 VanDerWaalsContact O-N 3.16Å; P187-V201 HydrophobicContact CB-CG2 4.23Å; P187-V207 HydrophobicContact CB-CG2 4.28Å; P187-V207 VanDerWaalsContact O-CG2 3.31Å; P187-V207 WeakPolarHBondContact O-CG2 3.38Å
188	A	98	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.6	177.1	0	0	0	0	0	113.5	V137 L185 L186 P197 Y198 V201	V137-A188 HydrophobicContact CG2-CB 3.58Å; L185-A188 WeakPolarHBondContact O-CB 3.41Å; L185-A188 PolarHBondContact O-N 3.06Å; L186-A188 PolarHBondContact O-N 2.79Å; L186-A188 VanDerWaalsContact O-N 3.08Å; A188-P197 HydrophobicContact CB-CB 4.15Å; A188-P197 CarbonylContact O-C 3.58Å; A188-P197 VanDerWaalsContact O-CA 3.24Å; A188-P197 WeakPolarHBondContact O-CA 3.49Å; A188-Y198 WeakPolarHBondContact O-CD2 3.5Å; A188-Y198 PolarHBondContact O-N 2.91Å; A188-V201 HydrophobicContact CB-CB 4.31Å
189	F	97.5	Very high	96.8	Very high	7 Å²	7	34.4 Å²	34.4	3%	0.031	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-90.3	-16.4	178.5	-63.4	-94.4	0	0	0	112.7	V137 L186 P187 T192 P197 L223 F227 F242	V137-F189 HydrophobicContact CG1-CE2 4.48Å; L186-F189 PolarHBondContact O-N 3.01Å; P187-F189 PolarHBondContact O-N 2.92Å; F189-T192 PolarHBondContact O-OG1 3.3Å; F189-T192 VanDerWaalsContact O-OG1 3.12Å; F189-P197 HydrophobicContact CD1-CB 3.86Å; F189-P197 HydrophobicContact CD1-CG 4.34Å; F189-P197 HydrophobicContact CD2-CB 4.28Å; F189-P197 HydrophobicContact CE1-CB 3.7Å; F189-P197 HydrophobicContact CE1-CG 3.79Å; F189-P197 HydrophobicContact CE2-CB 4.12Å; F189-P197 HydrophobicContact CG-CB 4.16Å; F189-P197 HydrophobicContact CZ-CB 3.84Å; F189-P197 HydrophobicContact CZ-CG 4.02Å; F189-L223 HydrophobicContact CE1-CD1 4.24Å; F189-L223 HydrophobicContact CZ-CD1 3.58Å; F189-F227 AromaticContact CE2-CE2 3.73Å; F189-F227 HydrophobicContact CE2-CE2 3.73Å; F189-F227 HydrophobicContact CE2-CZ 4.2Å; F189-F227 AromaticContact CZ-CE2 3.68Å; F189-F227 HydrophobicContact CZ-CE2 3.68Å; F189-F227 HydrophobicContact CZ-CZ 4.39Å; F189-F242 HydrophobicContact CB-CD1 3.56Å; F189-F242 HydrophobicContact CB-CE1 3.65Å; F189-F242 HydrophobicContact CB-CG 4.17Å; F189-F242 HydrophobicContact CB-CZ 4.31Å; F189-F242 HydrophobicContact CD1-CB 3.81Å; F189-F242 AromaticContact CD1-CD1 3.82Å; F189-F242 HydrophobicContact CD1-CD1 3.82Å; F189-F242 HydrophobicContact CD1-CG 4.05Å; F189-F242 HydrophobicContact CE1-CB 3.9Å; F189-F242 HydrophobicContact CG-CB 4.16Å; F189-F242 AromaticContact CG-CD1 3.79Å; F189-F242 HydrophobicContact CG-CD1 3.79Å; F189-F242 HydrophobicContact CG-CE1 4.37Å; F189-F242 AromaticContact CG-CG 4Å; F189-F242 HydrophobicContact CG-CG 4Å; F189-F242 HydrophobicContact CZ-CB 4.32Å
190	Q	93.4	Very high	96.7	Very high	122 Å²	122	34.2 Å²	34.2	57%	0.57	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	140.9	-175.4	-63.4	176.3	-2	0	0	111.1	P187 T192	P187-Q190 PolarHBondContact O-N 2.75Å; P187-Q190 VanDerWaalsContact O-N 3.16Å; Q190-T192 VanDerWaalsContact C-N 3.28Å; Q190-T192 PolarHBondContact O-N 2.65Å
191	G	87.1	Confident	96.6	Very high	67 Å²	67	31.9 Å²	31.9	69%	0.691	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	19	177.1	0	0	0	0	0	114.8	Q268	G191-Q268 PolarHBondContact O-NE2 2.75Å
192	T	94.8	Very high	96.5	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.117	18%	0.178	C	C	.	.			trans	-100.4	127	176.2	70.8	0	0	0	0	109.4	F189 Q190 T194 G195 L196 Y198 I267	F189-T192 PolarHBondContact O-OG1 3.3Å; F189-T192 VanDerWaalsContact O-OG1 3.12Å; Q190-T192 VanDerWaalsContact C-N 3.28Å; Q190-T192 PolarHBondContact O-N 2.65Å; T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 3.29Å; T192-G195 WeakPolarHBondContact OG1-CA 3.13Å; T192-G195 PolarHBondContact OG1-N 3.38Å; T192-L196 VanDerWaalsContact CB-O 3.31Å; T192-L196 WeakPolarHBondContact CB-O 3.26Å; T192-L196 VanDerWaalsContact CG2-O 3.22Å; T192-L196 WeakPolarHBondContact CG2-O 3.25Å; T192-L196 PolarHBondContact OG1-O 3.23Å; T192-Y198 HydrophobicContact CG2-CD2 3.91Å; T192-Y198 HydrophobicContact CG2-CE2 3.76Å; T192-I267 HydrophobicContact CG2-CD1 3.93Å; T192-I267 HydrophobicContact CG2-CG1 4.49Å
193	N	95.2	Very high	96.5	Very high	136 Å²	136	32.2 Å²	32.2	73%	0.727	18%	0.179	S	C	*	.	S	Bend	trans	-71	-22.8	-178.6	-71.6	-29.4	0	0	0	113.2	Q268	N193-Q268 VanDerWaalsContact CB-O 3.25Å; N193-Q268 WeakPolarHBondContact CB-O 3.35Å; N193-Q268 VanDerWaalsContact N-OE1 3.16Å; N193-Q268 PolarHBondContact ND2-O 3.02Å; N193-Q268 PolarHBondContact ND2-OE1 3.47Å
194	T	95.2	Very high	96.4	Very high	36 Å²	36	32.1 Å²	32.1	22%	0.221	18%	0.178	C	C	.	.	S	Bend	trans	-95.9	-18.7	-178.2	63.7	0	0	0	0	113.5	T192 L196 A249 I267	T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 3.29Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 WeakPolarHBondContact OG1-CB 3.18Å; T194-L196 VanDerWaalsContact OG1-CG 3.31Å; T194-L196 WeakPolarHBondContact OG1-CG 3.28Å; T194-L196 PolarHBondContact OG1-N 2.94Å; T194-L196 VanDerWaalsContact OG1-N 3.14Å; T194-A249 WeakPolarHBondContact O-CB 3.32Å; T194-I267 WeakPolarHBondContact CB-O 3.47Å; T194-I267 WeakPolarHBondContact CG2-O 3.49Å; T194-I267 PolarHBondContact N-O 3.48Å; T194-I267 PolarHBondContact OG1-O 3Å
195	G	94.6	Very high	96.3	Very high	3 Å²	3	37.4 Å²	37.4	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	83.4	-0.5	-167.6	0	0	0	0	0	114.4	T192	T192-G195 WeakPolarHBondContact OG1-CA 3.13Å; T192-G195 PolarHBondContact OG1-N 3.38Å
196	L	97.6	Very high	96.2	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-77.8	136.9	173.5	-60.9	171.7	0	0	0	110.3	T192 T194 A220 A246 A249 L250 I265 I267	T192-L196 VanDerWaalsContact CB-O 3.31Å; T192-L196 WeakPolarHBondContact CB-O 3.26Å; T192-L196 VanDerWaalsContact CG2-O 3.22Å; T192-L196 WeakPolarHBondContact CG2-O 3.25Å; T192-L196 PolarHBondContact OG1-O 3.23Å; T194-L196 VanDerWaalsContact C-N 3.3Å; T194-L196 WeakPolarHBondContact OG1-CB 3.18Å; T194-L196 VanDerWaalsContact OG1-CG 3.31Å; T194-L196 WeakPolarHBondContact OG1-CG 3.28Å; T194-L196 PolarHBondContact OG1-N 2.94Å; T194-L196 VanDerWaalsContact OG1-N 3.14Å; L196-A220 HydrophobicContact CD2-CB 4.05Å; L196-A246 HydrophobicContact CD2-CB 4.2Å; L196-A249 HydrophobicContact CD2-CB 3.86Å; L196-A249 HydrophobicContact CG-CB 4.1Å; L196-L250 HydrophobicContact CD1-CD2 4.41Å; L196-L250 HydrophobicContact CD2-CD2 3.96Å; L196-L250 HydrophobicContact CD2-CG 3.74Å; L196-I265 HydrophobicContact CD1-CD1 3.79Å; L196-I265 HydrophobicContact CD1-CG1 4.13Å; L196-I265 HydrophobicContact CD1-CG2 3.9Å; L196-I267 HydrophobicContact CB-CB 4.03Å; L196-I267 HydrophobicContact CB-CG2 3.82Å
197	P	98.1	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-73.6	148.9	-177	29.7	-34.5	0	0	0	112.5	A188 F189 A220 L223	A188-P197 HydrophobicContact CB-CB 4.15Å; A188-P197 CarbonylContact O-C 3.58Å; A188-P197 VanDerWaalsContact O-CA 3.24Å; A188-P197 WeakPolarHBondContact O-CA 3.49Å; F189-P197 HydrophobicContact CD1-CB 3.86Å; F189-P197 HydrophobicContact CD1-CG 4.34Å; F189-P197 HydrophobicContact CD2-CB 4.28Å; F189-P197 HydrophobicContact CE1-CB 3.7Å; F189-P197 HydrophobicContact CE1-CG 3.79Å; F189-P197 HydrophobicContact CE2-CB 4.12Å; F189-P197 HydrophobicContact CG-CB 4.16Å; F189-P197 HydrophobicContact CZ-CB 3.84Å; F189-P197 HydrophobicContact CZ-CG 4.02Å; P197-A220 HydrophobicContact CG-CB 4.39Å; P197-L223 HydrophobicContact CG-CD1 4.31Å
198	Y	98.3	Very high	95.9	Very high	33 Å²	33	38.8 Å²	38.8	13%	0.129	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-52.2	140.2	157.4	-75.5	-81.4	0	0	0	109.6	V137 A188 T192 R200 V207 T211 N213 I267 Q268	V137-Y198 WeakPolarHBondContact CG2-O 3.21Å; A188-Y198 WeakPolarHBondContact O-CD2 3.5Å; A188-Y198 PolarHBondContact O-N 2.91Å; T192-Y198 HydrophobicContact CG2-CD2 3.91Å; T192-Y198 HydrophobicContact CG2-CE2 3.76Å; Y198-R200 PolarHBondContact O-N 3.39Å; Y198-V207 HydrophobicContact CD1-CG1 4.05Å; Y198-V207 HydrophobicContact CD2-CG1 3.89Å; Y198-V207 HydrophobicContact CD2-CG2 3.92Å; Y198-V207 HydrophobicContact CE1-CG1 4.33Å; Y198-V207 HydrophobicContact CE2-CG1 4.21Å; Y198-V207 HydrophobicContact CG-CG1 3.82Å; Y198-V207 HydrophobicContact CG-CG2 4.27Å; Y198-T211 HydrophobicContact CD1-CG2 3.38Å; Y198-T211 HydrophobicContact CE1-CG2 3.33Å; Y198-T211 HydrophobicContact CG-CG2 4.34Å; Y198-N213 VanDerWaalsContact CE1-OD1 3.24Å; Y198-N213 WeakPolarHBondContact CE1-OD1 3.24Å; Y198-N213 PolarHBondContact OH-OD1 2.73Å; Y198-I267 HydrophobicContact CD1-CD1 3.44Å; Y198-I267 VanDerWaalsContact CD1-CD1 3.44Å; Y198-I267 HydrophobicContact CD2-CD1 3.89Å; Y198-I267 HydrophobicContact CE1-CD1 3.56Å; Y198-I267 HydrophobicContact CE2-CD1 3.98Å; Y198-I267 HydrophobicContact CG-CD1 3.61Å; Y198-Q268 PolarHBondContact OH-NE2 2.99Å; Y198-Q268 VanDerWaalsContact OH-NE2 3.13Å
199	P	96.8	Very high	95.4	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.058	26%	0.255	C	S	.	.	S	Bend	trans	-64.7	-27.9	-176.8	28	-37.6	0	0	0	112.4	Q136 V137 V212 L214	Q136-P199 WeakPolarHBondContact CA-O 3.5Å; Q136-P199 VanDerWaalsContact CG-O 3.29Å; Q136-P199 WeakPolarHBondContact CG-O 3.18Å; V137-P199 PolarHBondContact N-O 2.92Å; P199-V212 HydrophobicContact CG-CG2 4.06Å; P199-L214 WeakPolarHBondContact CG-O 3.16Å
200	R	96.7	Very high	94.9	Very high	47 Å²	47	55.7 Å²	55.7	18%	0.177	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.6	-172.3	-63.8	177.7	-176.1	79.4	10.8	112.4	D91 I134 V135 Y198	D91-R200 IonicContact OD1-CZ 3.13Å; D91-R200 IonicContact OD1-NE 3.34Å; D91-R200 PolarHBondContact OD1-NE 3.02Å; D91-R200 IonicContact OD1-NH2 3.05Å; D91-R200 PolarHBondContact OD1-NH2 2.89Å; D91-R200 IonicContact OD2-CZ 3.6Å; D91-R200 IonicContact OD2-NE 3.34Å; D91-R200 PolarHBondContact OD2-NE 3.12Å; D91-R200 IonicContact OD2-NH2 2.6Å; D91-R200 PolarHBondContact OD2-NH2 3.39Å; I134-R200 HydrophobicContact CG2-CB 3.93Å; V135-R200 WeakPolarHBondContact O-CA 3.22Å; Y198-R200 PolarHBondContact O-N 3.39Å
201	V	96.8	Very high	94.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	142.1	-179	65.4	0	0	0	0	110.2	I134 V135 V137 L185 P187 A188 V207	I134-V201 WeakPolarHBondContact CA-O 3.25Å; V135-V201 HydrophobicContact CG2-CG1 4.41Å; V135-V201 PolarHBondContact N-O 3.46Å; V135-V201 PolarHBondContact O-N 3.26Å; V137-V201 HydrophobicContact CG2-CB 4.45Å; V137-V201 HydrophobicContact CG2-CG1 3.95Å; L185-V201 HydrophobicContact CD2-CG1 3.48Å; L185-V201 VanDerWaalsContact CD2-CG1 3.48Å; P187-V201 HydrophobicContact CB-CG2 4.23Å; A188-V201 HydrophobicContact CB-CB 4.31Å; V201-V207 HydrophobicContact CG2-CG2 4.39Å
202	S	97.1	Very high	95	Very high	5 Å²	5	52 Å²	52	4%	0.035	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	130.2	168.3	174.6	0	0	0	0	109.9	S133 L204 Y205 G206	S133-S202 WeakPolarHBondContact O-CA 3.13Å; S202-L204 PolarHBondContact O-N 3.03Å; S202-L204 PolarHBondContact OG-N 3.47Å; S202-Y205 PolarHBondContact OG-N 3Å; S202-Y205 VanDerWaalsContact OG-N 3.1Å; S202-G206 WeakPolarHBondContact CA-O 3.4Å; S202-G206 WeakPolarHBondContact CB-O 3.36Å; S202-G206 PolarHBondContact N-O 3.43Å; S202-G206 PolarHBondContact O-N 2.91Å
203	L	97.7	Very high	95	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-15	177.9	-61.4	179.3	0	0	0	113.8	Y96 F129 S133 V135 L181 R184 L185	Y96-L203 HydrophobicContact CD1-CD1 4.4Å; F129-L203 VanDerWaalsContact O-CB 3.24Å; F129-L203 WeakPolarHBondContact O-CB 3.49Å; S133-L203 PolarHBondContact O-N 3.26Å; V135-L203 HydrophobicContact CG1-CD1 4.29Å; V135-L203 HydrophobicContact CG1-CG 4.44Å; V135-L203 HydrophobicContact CG2-CD1 4.46Å; V135-L203 HydrophobicContact CG2-CD2 3.67Å; V135-L203 HydrophobicContact CG2-CG 3.92Å; L181-L203 HydrophobicContact CD1-CD2 3.74Å; R184-L203 HydrophobicContact CB-CD2 4.28Å; R184-L203 WeakPolarHBondContact CD-O 3.42Å; R184-L203 PolarHBondContact NH1-O 2.84Å; L185-L203 HydrophobicContact CD2-CD2 4.45Å
204	L	96.6	Very high	95.1	Very high	74 Å²	74	50.7 Å²	50.7	39%	0.387	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-42.8	174.4	-79.1	177	0	0	0	113.3	A130 K131 D132 S202	A130-L204 HydrophobicContact CB-CD2 3.9Å; K131-L204 VanDerWaalsContact C-CD1 3.48Å; K131-L204 WeakPolarHBondContact O-CG 3.21Å; D132-L204 HydrophobicContact CB-CD1 3.91Å; S202-L204 PolarHBondContact O-N 3.03Å; S202-L204 PolarHBondContact OG-N 3.47Å
205	Y	96.7	Very high	95.2	Very high	171 Å²	171	49.2 Å²	49.2	67%	0.671	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-0.5	-165	-54.3	-62	0	0	0	114.2	D132 S202	D132-Y205 WeakPolarHBondContact OD1-CE2 3.45Å; S202-Y205 PolarHBondContact OG-N 3Å; S202-Y205 VanDerWaalsContact OG-N 3.1Å
206	G	96.5	Very high	95.3	Very high	11 Å²	11	50.6 Å²	50.6	11%	0.113	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	73.7	-149.2	-174.7	0	0	0	0	0	112.1	S202 P208	S202-G206 WeakPolarHBondContact CA-O 3.4Å; S202-G206 WeakPolarHBondContact CB-O 3.36Å; S202-G206 PolarHBondContact N-O 3.43Å; S202-G206 PolarHBondContact O-N 2.91Å; G206-P208 WeakPolarHBondContact O-CD 3.14Å
207	V	96.2	Very high	95.3	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.255	25%	0.254	S	S	.	.	S	Bend	trans	-72.6	124.4	-173.6	-179.8	0	0	0	0	111.1	P187 Y198 V201 T211	P187-V207 HydrophobicContact CB-CG2 4.28Å; P187-V207 VanDerWaalsContact O-CG2 3.31Å; P187-V207 WeakPolarHBondContact O-CG2 3.38Å; Y198-V207 HydrophobicContact CD1-CG1 4.05Å; Y198-V207 HydrophobicContact CD2-CG1 3.89Å; Y198-V207 HydrophobicContact CD2-CG2 3.92Å; Y198-V207 HydrophobicContact CE1-CG1 4.33Å; Y198-V207 HydrophobicContact CE2-CG1 4.21Å; Y198-V207 HydrophobicContact CG-CG1 3.82Å; Y198-V207 HydrophobicContact CG-CG2 4.27Å; V201-V207 HydrophobicContact CG2-CG2 4.39Å; V207-T211 HydrophobicContact CG1-CG2 3.48Å; V207-T211 VanDerWaalsContact CG1-CG2 3.48Å
208	P	92.4	Very high	95.3	Very high	27 Å²	27	50.6 Å²	50.6	18%	0.175	26%	0.255	C	S	.	.			trans	-59.8	145.7	174.8	-23.1	33.9	0	0	0	112.5	I134 G206 D210 T211	I134-P208 HydrophobicContact CD1-CG 3.79Å; I134-P208 HydrophobicContact CG1-CG 4.2Å; I134-P208 HydrophobicContact CG2-CG 4.46Å; G206-P208 WeakPolarHBondContact O-CD 3.14Å; P208-D210 VanDerWaalsContact C-N 3.27Å; P208-D210 WeakPolarHBondContact CB-OD1 3.25Å; P208-D210 PolarHBondContact O-N 3.24Å; P208-T211 VanDerWaalsContact O-CB 3.29Å; P208-T211 WeakPolarHBondContact O-CB 3.48Å; P208-T211 VanDerWaalsContact O-CG2 3.3Å; P208-T211 WeakPolarHBondContact O-CG2 3.46Å; P208-T211 PolarHBondContact O-N 2.78Å
209	K	89.2	Confident	95.3	Very high	218 Å²	218	49.1 Å²	49.1	95%	0.948	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27.6	-176.2	-69	-176.5	180	177.3	0	113.7
210	D	86.7	Confident	95.4	Very high	144 Å²	144	48.7 Å²	48.7	77%	0.77	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	13.7	-179.7	60.2	-35.7	0	0	0	112.7	P208	P208-D210 VanDerWaalsContact C-N 3.27Å; P208-D210 WeakPolarHBondContact CB-OD1 3.25Å; P208-D210 PolarHBondContact O-N 3.24Å
211	T	89.3	Confident	95.4	Very high	37 Å²	37	46.5 Å²	46.5	23%	0.227	24%	0.239	C	C	.	.			trans	-62.5	161.4	177.9	-162.5	0	0	0	0	112.6	Y198 V207 P208	Y198-T211 HydrophobicContact CD1-CG2 3.38Å; Y198-T211 HydrophobicContact CE1-CG2 3.33Å; Y198-T211 HydrophobicContact CG-CG2 4.34Å; V207-T211 HydrophobicContact CG1-CG2 3.48Å; V207-T211 VanDerWaalsContact CG1-CG2 3.48Å; P208-T211 VanDerWaalsContact O-CB 3.29Å; P208-T211 WeakPolarHBondContact O-CB 3.48Å; P208-T211 VanDerWaalsContact O-CG2 3.3Å; P208-T211 WeakPolarHBondContact O-CG2 3.46Å; P208-T211 PolarHBondContact O-N 2.78Å
212	V	92	Very high	95.5	Very high	75 Å²	75	46.5 Å²	46.5	46%	0.455	24%	0.239	S	C	.	.			trans	-93.9	143.7	174.7	-61.1	0	0	0	0	111.2	P199 L214	P199-V212 HydrophobicContact CG-CG2 4.06Å; V212-L214 PolarHBondContact O-N 2.97Å
213	N	95.2	Very high	95.6	Very high	56 Å²	56	46.3 Å²	46.3	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-81.9	8.1	174.4	-68.9	-22	0	0	0	113.1	Y198 D266 I267 Q268	Y198-N213 VanDerWaalsContact CE1-OD1 3.24Å; Y198-N213 WeakPolarHBondContact CE1-OD1 3.24Å; Y198-N213 PolarHBondContact OH-OD1 2.73Å; N213-D266 CarbonylContact O-C 3.55Å; N213-D266 WeakPolarHBondContact O-CA 3.36Å; N213-I267 HydrophobicContact CB-CG1 4.12Å; N213-I267 WeakPolarHBondContact O-CG1 3.24Å; N213-I267 PolarHBondContact O-N 2.6Å; N213-Q268 HydrophobicContact CB-CG 4.28Å
214	L	97.2	Very high	95.6	Very high	71 Å²	71	46.1 Å²	46.1	37%	0.372	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	-173.9	-56.5	-175.7	0	0	0	110.4	P199 V212 V264 I265 D266 M273	P199-L214 WeakPolarHBondContact CG-O 3.16Å; V212-L214 PolarHBondContact O-N 2.97Å; L214-V264 HydrophobicContact CB-CG1 3.94Å; L214-V264 HydrophobicContact CD1-CG1 4.44Å; L214-I265 WeakPolarHBondContact CA-O 3.21Å; L214-D266 HydrophobicContact CD2-CB 3.93Å; L214-M273 HydrophobicContact CD2-CB 4.29Å; L214-M273 HydrophobicContact CD2-CG 3.7Å
215	T	97	Very high	95.7	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	162.3	174.1	-167.2	0	0	0	0	110.3	A220 V264 I265 I267	T215-A220 HydrophobicContact CG2-CB 3.78Å; T215-V264 CarbonylContact O-C 3.59Å; T215-V264 WeakPolarHBondContact O-CA 3.39Å; T215-I265 HydrophobicContact CG2-CG2 3.66Å; T215-I265 PolarHBondContact N-O 3.29Å; T215-I265 PolarHBondContact O-N 3.47Å; T215-I267 HydrophobicContact CG2-CG2 3.52Å
216	C	97.3	Very high	95.8	Very high	31 Å²	31	34.5 Å²	34.5	21%	0.209	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	162.2	172.8	64.7	0	0	0	0	111.6	G219 A220 N263	C216-G219 PolarHBondContact O-N 3.41Å; C216-G219 PolarHBondContact SG-N 3.28Å; C216-A220 PolarHBondContact O-N 3.47Å; C216-N263 WeakPolarHBondContact CA-O 3.37Å; C216-N263 VanDerWaalsContact CB-O 3.25Å; C216-N263 WeakPolarHBondContact CB-O 3.36Å
217	T	98.3	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-48.9	-176.6	-64.6	0	0	0	0	112.2	G221 L250 L261 G262 W272 G282 F286	T217-G221 PolarHBondContact O-N 3.49Å; T217-L250 HydrophobicContact CG2-CD1 4.4Å; T217-L250 WeakPolarHBondContact O-CD1 3.18Å; T217-L261 HydrophobicContact CG2-CB 4.36Å; T217-L261 HydrophobicContact CG2-CD1 3.89Å; T217-G262 PolarHBondContact OG1-O 3.26Å; T217-W272 VanDerWaalsContact OG1-CH2 3.23Å; T217-W272 WeakPolarHBondContact OG1-CH2 3.22Å; T217-W272 VanDerWaalsContact OG1-CZ3 3.22Å; T217-W272 WeakPolarHBondContact OG1-CZ3 3.31Å; T217-G282 WeakPolarHBondContact CB-O 3.46Å; T217-G282 PolarHBondContact N-O 2.75Å; T217-G282 VanDerWaalsContact N-O 3.12Å; T217-F286 HydrophobicContact CG2-CB 3.98Å; T217-F286 HydrophobicContact CG2-CD1 3.75Å; T217-F286 HydrophobicContact CG2-CE1 4.45Å; T217-F286 HydrophobicContact CG2-CG 3.84Å
218	A	98	Very high	96	Very high	2 Å²	2	32 Å²	32	2%	0.017	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-45.7	173.1	0	0	0	0	0	111.2	F138 A220 G221 T222 G282 D284	F138-A218 HydrophobicContact CE2-CB 4.38Å; A218-A220 PolarHBondContact O-N 2.92Å; A218-G221 PolarHBondContact O-N 3.09Å; A218-G221 VanDerWaalsContact O-N 3.17Å; A218-T222 VanDerWaalsContact O-CB 3.28Å; A218-T222 WeakPolarHBondContact O-CB 3.38Å; A218-T222 PolarHBondContact O-N 3.21Å; A218-T222 PolarHBondContact O-OG1 3.44Å; A218-G282 VanDerWaalsContact CB-C 3.5Å; A218-G282 PolarHBondContact N-O 2.95Å; A218-D284 WeakPolarHBondContact CB-OD1 3.36Å
219	G	97.6	Very high	96.3	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-33.3	-176.9	0	0	0	0	0	114.1	C216	C216-G219 PolarHBondContact O-N 3.41Å; C216-G219 PolarHBondContact SG-N 3.28Å
220	A	98.1	Very high	96.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-88.4	-29	176.7	0	0	0	0	0	114.2	L196 P197 T215 C216 A218 A246 L250	L196-A220 HydrophobicContact CD2-CB 4.05Å; P197-A220 HydrophobicContact CG-CB 4.39Å; T215-A220 HydrophobicContact CG2-CB 3.78Å; C216-A220 PolarHBondContact O-N 3.47Å; A218-A220 PolarHBondContact O-N 2.92Å; A220-A246 WeakPolarHBondContact O-CB 3.35Å; A220-L250 HydrophobicContact CB-CD1 4.16Å
221	G	98	Very high	97.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-108.1	-11.5	-167.8	0	0	0	0	0	116.3	T217 A218 L223 N247	T217-G221 PolarHBondContact O-N 3.49Å; A218-G221 PolarHBondContact O-N 3.09Å; A218-G221 VanDerWaalsContact O-N 3.17Å; G221-L223 VanDerWaalsContact C-N 3.32Å; G221-L223 PolarHBondContact O-N 3.48Å; G221-N247 WeakPolarHBondContact CA-OD1 3.48Å; G221-N247 PolarHBondContact O-OD1 2.92Å
222	T	98.7	Very high	97.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	53.9	-176.6	-50.7	0	0	0	0	111.5	F138 I142 A218 S285 F286 Y289 T493	F138-T222 HydrophobicContact CD2-CG2 4.43Å; F138-T222 VanDerWaalsContact CE2-CB 3.49Å; F138-T222 HydrophobicContact CE2-CG2 3.75Å; I142-T222 HydrophobicContact CG2-CG2 4.02Å; I142-T222 WeakPolarHBondContact CG2-O 3.42Å; A218-T222 VanDerWaalsContact O-CB 3.28Å; A218-T222 WeakPolarHBondContact O-CB 3.38Å; A218-T222 PolarHBondContact O-N 3.21Å; A218-T222 PolarHBondContact O-OG1 3.44Å; T222-S285 WeakPolarHBondContact CG2-OG 3.26Å; T222-S285 VanDerWaalsContact OG1-C 3.3Å; T222-S285 PolarHBondContact OG1-OG 3.04Å; T222-F286 PolarHBondContact OG1-N 3.05Å; T222-Y289 HydrophobicContact CG2-CD1 3.46Å; T222-Y289 VanDerWaalsContact CG2-CD1 3.46Å; T222-Y289 HydrophobicContact CG2-CD2 3.66Å; T222-Y289 HydrophobicContact CG2-CE1 3.41Å; T222-Y289 VanDerWaalsContact CG2-CE1 3.41Å; T222-Y289 HydrophobicContact CG2-CE2 3.65Å; T222-Y289 HydrophobicContact CG2-CG 3.6Å; T222-T493 HydrophobicContact CG2-CG2 4.02Å
223	L	98.7	Very high	98.1	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-11.3	-178.9	-51.6	177.3	0	0	0	112.7	V137 T141 F189 P197 G221 L225 F227 A243	V137-L223 HydrophobicContact CG1-CD1 4.1Å; V137-L223 HydrophobicContact CG1-CD2 4.29Å; T141-L223 HydrophobicContact CG2-CB 4.32Å; T141-L223 HydrophobicContact CG2-CD2 3.72Å; F189-L223 HydrophobicContact CE1-CD1 4.24Å; F189-L223 HydrophobicContact CZ-CD1 3.58Å; P197-L223 HydrophobicContact CG-CD1 4.31Å; G221-L223 VanDerWaalsContact C-N 3.32Å; G221-L223 PolarHBondContact O-N 3.48Å; L223-L225 PolarHBondContact O-N 3.43Å; L223-F227 HydrophobicContact CB-CD2 4.4Å; L223-F227 HydrophobicContact CB-CG 4.47Å; L223-F227 VanDerWaalsContact O-CB 3.27Å; L223-F227 WeakPolarHBondContact O-CB 3.46Å; L223-F227 PolarHBondContact O-N 3.48Å; L223-A243 HydrophobicContact CB-CB 4.07Å
224	M	98.4	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-66.4	-34.8	-164.5	-176.8	63.1	-142.6	0	0	114	G228 E240 A243 A293 F297 R509	M224-G228 WeakPolarHBondContact O-CA 3.46Å; M224-G228 PolarHBondContact O-N 3.21Å; M224-E240 HydrophobicContact CE-CG 3.58Å; M224-E240 HydrophobicContact SD-CG 4.45Å; M224-A243 HydrophobicContact CB-CB 4.38Å; M224-A243 HydrophobicContact SD-CB 4.13Å; M224-A293 HydrophobicContact CB-CB 4.4Å; M224-A293 HydrophobicContact CG-CB 3.58Å; M224-F297 HydrophobicContact CE-CD2 3.65Å; M224-F297 HydrophobicContact CE-CE2 3.64Å; M224-F297 HydrophobicContact CE-CG 4.44Å; M224-F297 HydrophobicContact CE-CZ 4.43Å; M224-F297 HydrophobicContact CG-CE2 4.39Å; M224-F297 WeakPolarHBondContact O-CE2 3.29Å; M224-R509 VanDerWaalsContact CE-NH1 3.29Å
225	L	98.8	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-69.4	-50.5	-178.5	-61.8	-173.1	0	0	0	110.8	L223 V229 Y289 K292 A293 L296 F297 T492 L498	L223-L225 PolarHBondContact O-N 3.43Å; L225-V229 WeakPolarHBondContact O-CB 3.31Å; L225-V229 VanDerWaalsContact O-CG2 3.26Å; L225-V229 WeakPolarHBondContact O-CG2 3.37Å; L225-V229 PolarHBondContact O-N 2.96Å; L225-Y289 HydrophobicContact CB-CD1 4.41Å; L225-Y289 HydrophobicContact CB-CE1 3.92Å; L225-Y289 HydrophobicContact CD1-CD1 4.37Å; L225-Y289 HydrophobicContact CD1-CD2 4.14Å; L225-Y289 HydrophobicContact CD1-CE1 4.02Å; L225-Y289 HydrophobicContact CD1-CE2 3.74Å; L225-Y289 HydrophobicContact CD1-CG 4.42Å; L225-Y289 HydrophobicContact CG-CD1 3.87Å; L225-Y289 HydrophobicContact CG-CD2 4.45Å; L225-Y289 HydrophobicContact CG-CE1 3.74Å; L225-Y289 HydrophobicContact CG-CE2 4.3Å; L225-Y289 HydrophobicContact CG-CG 4.23Å; L225-K292 HydrophobicContact CD1-CB 3.88Å; L225-K292 HydrophobicContact CD1-CD 4.09Å; L225-K292 HydrophobicContact CD2-CB 3.99Å; L225-K292 HydrophobicContact CG-CB 4.45Å; L225-A293 HydrophobicContact CD2-CB 4.3Å; L225-L296 HydrophobicContact CD2-CB 4.44Å; L225-L296 HydrophobicContact CD2-CD2 3.93Å; L225-F297 HydrophobicContact CD2-CE2 4.26Å; L225-T492 HydrophobicContact CD1-CG2 4.32Å; L225-L498 HydrophobicContact CB-CD1 4.28Å
226	E	98.9	Very high	98.1	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-71.3	-48.2	-175.5	-61.1	77.1	-162.6	0	0	110.7	T141 I145 L149 G228 V229 L230 Y289 T492	T141-E226 HydrophobicContact CG2-CB 3.74Å; T141-E226 HydrophobicContact CG2-CG 4.15Å; T141-E226 WeakPolarHBondContact O-CG 3.45Å; I145-E226 HydrophobicContact CB-CB 4.34Å; I145-E226 HydrophobicContact CG2-CB 3.88Å; L149-E226 HydrophobicContact CD1-CB 4.34Å; L149-E226 VanDerWaalsContact CD1-O 3.29Å; L149-E226 WeakPolarHBondContact CD1-O 3.21Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 2.93Å; E226-V229 PolarHBondContact O-N 3.37Å; E226-L230 VanDerWaalsContact O-CB 3.25Å; E226-L230 WeakPolarHBondContact O-CB 3.42Å; E226-L230 PolarHBondContact O-N 3.15Å; E226-Y289 PolarHBondContact OE1-OH 3.43Å; E226-Y289 WeakPolarHBondContact OE2-CE1 3.4Å; E226-T492 VanDerWaalsContact OE1-CG2 3.32Å; E226-T492 WeakPolarHBondContact OE1-CG2 3.37Å
227	F	98.8	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-37.1	177.7	-80.3	20	0	0	0	111.7	T141 I145 L185 F189 L223 S231 F239 A243	T141-F227 HydrophobicContact CG2-CD1 3.88Å; T141-F227 HydrophobicContact CG2-CE1 3.75Å; I145-F227 HydrophobicContact CD1-CE1 4.02Å; L185-F227 HydrophobicContact CD1-CE1 4.44Å; L185-F227 HydrophobicContact CD1-CZ 4.43Å; F189-F227 AromaticContact CE2-CE2 3.73Å; F189-F227 HydrophobicContact CE2-CE2 3.73Å; F189-F227 HydrophobicContact CE2-CZ 4.2Å; F189-F227 AromaticContact CZ-CE2 3.68Å; F189-F227 HydrophobicContact CZ-CE2 3.68Å; F189-F227 HydrophobicContact CZ-CZ 4.39Å; L223-F227 HydrophobicContact CB-CD2 4.4Å; L223-F227 HydrophobicContact CB-CG 4.47Å; L223-F227 VanDerWaalsContact O-CB 3.27Å; L223-F227 WeakPolarHBondContact O-CB 3.46Å; L223-F227 PolarHBondContact O-N 3.48Å; F227-S231 VanDerWaalsContact O-CB 3.28Å; F227-S231 WeakPolarHBondContact O-CB 3.47Å; F227-S231 PolarHBondContact O-N 3.41Å; F227-S231 PolarHBondContact O-OG 2.89Å; F227-F239 HydrophobicContact CB-CB 3.74Å; F227-F239 HydrophobicContact CD1-CB 4.48Å; F227-F239 HydrophobicContact CD2-CB 3.86Å; F227-F239 VanDerWaalsContact CD2-O 3.3Å; F227-F239 WeakPolarHBondContact CD2-O 3.26Å; F227-F239 HydrophobicContact CG-CB 3.8Å; F227-A243 HydrophobicContact CB-CB 4Å; F227-A243 HydrophobicContact CD2-CB 4.03Å; F227-A243 HydrophobicContact CG-CB 4.4Å
228	G	98.4	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-54.8	174.2	0	0	0	0	0	111.7	M224 E226 L230 S231 R232 F297	M224-G228 WeakPolarHBondContact O-CA 3.46Å; M224-G228 PolarHBondContact O-N 3.21Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 2.93Å; G228-L230 VanDerWaalsContact C-N 3.35Å; G228-L230 PolarHBondContact O-N 3.36Å; G228-S231 WeakPolarHBondContact O-CB 3.46Å; G228-S231 PolarHBondContact O-N 3.29Å; G228-R232 VanDerWaalsContact O-CG 3.3Å; G228-R232 WeakPolarHBondContact O-CG 3.23Å; G228-R232 PolarHBondContact O-N 2.84Å; G228-R232 VanDerWaalsContact O-N 3.1Å; G228-F297 VanDerWaalsContact CA-CZ 3.49Å
229	V	98.8	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.1	-47.5	178.7	167.9	0	0	0	0	111	L149 L153 L225 E226 S231 R232 L233 L296 F297 L498 F504	L149-V229 HydrophobicContact CB-CG1 4.29Å; L149-V229 HydrophobicContact CD1-CB 4.16Å; L149-V229 HydrophobicContact CD1-CG1 4Å; L149-V229 HydrophobicContact CD2-CG1 4.5Å; L153-V229 HydrophobicContact CD1-CG1 4.1Å; L225-V229 WeakPolarHBondContact O-CB 3.31Å; L225-V229 VanDerWaalsContact O-CG2 3.26Å; L225-V229 WeakPolarHBondContact O-CG2 3.37Å; L225-V229 PolarHBondContact O-N 2.96Å; E226-V229 PolarHBondContact O-N 3.37Å; V229-S231 PolarHBondContact O-N 2.92Å; V229-R232 PolarHBondContact O-N 3.44Å; V229-L233 HydrophobicContact CG1-CD1 3.72Å; V229-L233 HydrophobicContact CG1-CG 4.26Å; V229-L233 WeakPolarHBondContact O-CG 3.13Å; V229-L233 PolarHBondContact O-N 2.92Å; V229-L296 HydrophobicContact CG2-CD2 3.73Å; V229-F297 HydrophobicContact CG2-CE1 4.36Å; V229-F297 HydrophobicContact CG2-CZ 4.19Å; V229-L498 HydrophobicContact CG2-CD1 4.05Å; V229-L498 HydrophobicContact CG2-CD2 4.41Å; V229-F504 HydrophobicContact CB-CE1 4.28Å; V229-F504 HydrophobicContact CG1-CE1 3.86Å; V229-F504 HydrophobicContact CG1-CZ 3.84Å; V229-F504 HydrophobicContact CG2-CD1 4.41Å; V229-F504 HydrophobicContact CG2-CE1 4.14Å; V229-F504 HydrophobicContact CG2-CE2 4.45Å; V229-F504 HydrophobicContact CG2-CZ 4.16Å
230	L	98.9	Very high	97.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.6	-52.4	176.9	177.4	63.8	0	0	0	111.1	L149 L175 A178 H179 A182 E226 G228 R232 L233 V234 F239	L149-L230 HydrophobicContact CD1-CB 4.09Å; L149-L230 HydrophobicContact CD2-CB 4.36Å; L149-L230 HydrophobicContact CD2-CD1 4.14Å; L175-L230 HydrophobicContact CD1-CD1 3.85Å; A178-L230 HydrophobicContact CB-CD1 4.43Å; H179-L230 HydrophobicContact CB-CD1 4.03Å; A182-L230 HydrophobicContact CB-CD2 3.28Å; E226-L230 VanDerWaalsContact O-CB 3.25Å; E226-L230 WeakPolarHBondContact O-CB 3.42Å; E226-L230 PolarHBondContact O-N 3.15Å; G228-L230 VanDerWaalsContact C-N 3.35Å; G228-L230 PolarHBondContact O-N 3.36Å; L230-R232 VanDerWaalsContact C-N 3.25Å; L230-R232 PolarHBondContact O-N 2.88Å; L230-L233 PolarHBondContact O-N 2.74Å; L230-L233 VanDerWaalsContact O-N 3.08Å; L230-V234 HydrophobicContact CD1-CG1 3.83Å; L230-V234 WeakPolarHBondContact O-CG2 3.37Å; L230-V234 PolarHBondContact O-N 3.4Å; L230-F239 HydrophobicContact CD2-CD1 4.24Å; L230-F239 HydrophobicContact CD2-CD2 3.83Å; L230-F239 HydrophobicContact CD2-CE1 4.33Å; L230-F239 HydrophobicContact CD2-CE2 3.94Å; L230-F239 HydrophobicContact CD2-CG 3.99Å; L230-F239 HydrophobicContact CD2-CZ 4.19Å; L230-F239 HydrophobicContact CG-CD2 4.13Å; L230-F239 HydrophobicContact CG-CE2 4.32Å
231	S	98.6	Very high	97.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-55.1	-41.1	-178.8	-63.9	0	0	0	0	112.6	F227 G228 V229 N235 D236 F239 E240 W507	F227-S231 VanDerWaalsContact O-CB 3.28Å; F227-S231 WeakPolarHBondContact O-CB 3.47Å; F227-S231 PolarHBondContact O-N 3.41Å; F227-S231 PolarHBondContact O-OG 2.89Å; G228-S231 WeakPolarHBondContact O-CB 3.46Å; G228-S231 PolarHBondContact O-N 3.29Å; V229-S231 PolarHBondContact O-N 2.92Å; S231-N235 VanDerWaalsContact O-CA 3.28Å; S231-N235 WeakPolarHBondContact O-CA 3.37Å; S231-N235 PolarHBondContact O-N 3.23Å; S231-D236 WeakPolarHBondContact CA-O 3.32Å; S231-D236 WeakPolarHBondContact CB-O 3.44Å; S231-D236 PolarHBondContact O-N 2.88Å; S231-D236 PolarHBondContact OG-O 3.06Å; S231-F239 WeakPolarHBondContact OG-CB 3.27Å; S231-E240 WeakPolarHBondContact OG-CB 3.3Å; S231-E240 PolarHBondContact OG-N 2.85Å; S231-W507 WeakPolarHBondContact O-CH2 3.15Å
232	R	97.6	Very high	97.7	Very high	7 Å²	7	23.6 Å²	23.6	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-71.4	-36.9	178.8	-59.7	-55.3	172.9	120.3	-1.8	113	G228 V229 L230 E240 F297 F504 W507	G228-R232 VanDerWaalsContact O-CG 3.3Å; G228-R232 WeakPolarHBondContact O-CG 3.23Å; G228-R232 PolarHBondContact O-N 2.84Å; G228-R232 VanDerWaalsContact O-N 3.1Å; V229-R232 PolarHBondContact O-N 3.44Å; L230-R232 VanDerWaalsContact C-N 3.25Å; L230-R232 PolarHBondContact O-N 2.88Å; R232-E240 IonicContact CZ-OE1 2.98Å; R232-E240 IonicContact CZ-OE2 2.98Å; R232-E240 VanDerWaalsContact CZ-OE2 3.27Å; R232-E240 IonicContact NE-OE1 3.55Å; R232-E240 IonicContact NE-OE2 2.6Å; R232-E240 PolarHBondContact NE-OE2 3.42Å; R232-E240 VanDerWaalsContact NH2-CD 3.3Å; R232-E240 IonicContact NH2-OE1 2.69Å; R232-E240 PolarHBondContact NH2-OE1 3.09Å; R232-E240 IonicContact NH2-OE2 3.2Å; R232-E240 PolarHBondContact NH2-OE2 3.1Å; R232-E240 VanDerWaalsContact NH2-OE2 3.09Å; R232-F297 HydrophobicContact CG-CE1 4.5Å; R232-F504 HydrophobicContact CB-CD1 3.75Å; R232-F504 HydrophobicContact CB-CE1 4.15Å; R232-F504 HydrophobicContact CG-CD1 4.06Å; R232-F504 PolarHBondContact NH1-O 3.05Å; R232-W507 VanDerWaalsContact CD-CD2 3.43Å; R232-W507 VanDerWaalsContact CZ-CB 3.47Å; R232-W507 VanDerWaalsContact CZ-CG 3.44Å; R232-W507 VanDerWaalsContact NE-CD2 3.33Å; R232-W507 VanDerWaalsContact NH1-CA 3.35Å
233	L	98.4	Very high	97.7	Very high	43 Å²	43	23.7 Å²	23.7	23%	0.225	14%	0.135	C	C	.	.	H	α-helix	trans	-72.2	-40.8	179.7	-68	175.8	0	0	0	112.1	L149 L153 L175 V229 L230 F504	L149-L233 HydrophobicContact CD2-CD1 4.1Å; L153-L233 HydrophobicContact CD2-CD1 4.16Å; L153-L233 HydrophobicContact CD2-CD2 4.01Å; L153-L233 HydrophobicContact CG-CD1 4.4Å; L175-L233 HydrophobicContact CD1-CB 3.93Å; L175-L233 HydrophobicContact CD1-CD1 4Å; L175-L233 HydrophobicContact CD2-CB 4.23Å; V229-L233 HydrophobicContact CG1-CD1 3.72Å; V229-L233 HydrophobicContact CG1-CG 4.26Å; V229-L233 WeakPolarHBondContact O-CG 3.13Å; V229-L233 PolarHBondContact O-N 2.92Å; L230-L233 PolarHBondContact O-N 2.74Å; L230-L233 VanDerWaalsContact O-N 3.08Å; L233-F504 HydrophobicContact CD2-CE1 4.11Å; L233-F504 HydrophobicContact CD2-CZ 4.35Å; L233-F504 HydrophobicContact CG-CE1 4.17Å
234	V	98	Very high	97.5	Very high	48 Å²	48	23.6 Å²	23.6	29%	0.291	13%	0.134	S	C	.	.	H	α-helix	trans	-89.5	-5	179.3	-51	0	0	0	0	113.4	L175 L230 D236	L175-V234 HydrophobicContact CD1-CG1 3.98Å; L175-V234 HydrophobicContact CD2-CG1 4.32Å; L175-V234 HydrophobicContact CG-CG1 4.19Å; L230-V234 HydrophobicContact CD1-CG1 3.83Å; L230-V234 WeakPolarHBondContact O-CG2 3.37Å; L230-V234 PolarHBondContact O-N 3.4Å; V234-D236 HydrophobicContact CG2-CB 3.8Å; V234-D236 PolarHBondContact O-N 3.3Å
235	N	96.9	Very high	97.4	Very high	123 Å²	123	28.1 Å²	28.1	66%	0.658	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	43	-176.3	-169.4	55.8	0	0	0	113.7	S231	S231-N235 VanDerWaalsContact O-CA 3.28Å; S231-N235 WeakPolarHBondContact O-CA 3.37Å; S231-N235 PolarHBondContact O-N 3.23Å
236	D	96.1	Very high	97.3	Very high	54 Å²	54	28.1 Å²	28.1	29%	0.289	16%	0.155	S	C	.	.			trans	-128.6	115.7	174.6	-178.1	-12.8	0	0	0	109.1	S231 V234 T238	S231-D236 WeakPolarHBondContact CA-O 3.32Å; S231-D236 WeakPolarHBondContact CB-O 3.44Å; S231-D236 PolarHBondContact O-N 2.88Å; S231-D236 PolarHBondContact OG-O 3.06Å; V234-D236 HydrophobicContact CG2-CB 3.8Å; V234-D236 PolarHBondContact O-N 3.3Å; D236-T238 PolarHBondContact O-N 2.69Å; D236-T238 WeakPolarHBondContact OD1-CB 3.3Å; D236-T238 PolarHBondContact OD1-N 3.21Å; D236-T238 PolarHBondContact OD1-OG1 3.3Å
237	P	95.3	Very high	97.2	Very high	53 Å²	53	28.1 Å²	28.1	34%	0.344	16%	0.155	S	C	.	.			trans	-74.9	-3.1	-176.2	33	-37.4	0	0	0	114.7	F239 E240 S241 W507 M512	P237-F239 PolarHBondContact O-N 3.33Å; P237-E240 PolarHBondContact O-N 2.67Å; P237-S241 VanDerWaalsContact O-CB 3.24Å; P237-S241 WeakPolarHBondContact O-CB 3.26Å; P237-S241 PolarHBondContact O-N 3.01Å; P237-W507 HydrophobicContact CB-CE3 4.4Å; P237-W507 HydrophobicContact CB-CH2 3.93Å; P237-W507 HydrophobicContact CB-CZ3 3.59Å; P237-M512 HydrophobicContact CB-CE 4.32Å
238	T	95.9	Very high	97	Very high	50 Å²	50	30 Å²	30	31%	0.307	16%	0.162	S	C	.	.	H	α-helix	trans	-55.7	-51.7	-171	-62.7	0	0	0	0	112.5	L186 D236 S241 F242	L186-T238 HydrophobicContact CD1-CG2 4.15Å; D236-T238 PolarHBondContact O-N 2.69Å; D236-T238 WeakPolarHBondContact OD1-CB 3.3Å; D236-T238 PolarHBondContact OD1-N 3.21Å; D236-T238 PolarHBondContact OD1-OG1 3.3Å; T238-S241 PolarHBondContact O-N 3.36Å; T238-F242 HydrophobicContact CG2-CD2 3.87Å; T238-F242 HydrophobicContact CG2-CE2 3.58Å; T238-F242 WeakPolarHBondContact O-CD2 3.39Å; T238-F242 PolarHBondContact O-N 3Å; T238-F242 VanDerWaalsContact O-N 3.11Å
239	F	98.2	Very high	96.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.5	-47.3	-175.5	-46.8	-82.3	0	0	0	111.4	H179 A182 L183 L186 F227 L230 S231 P237 S241 F242 A243	H179-F239 AromaticContact CD2-CE2 3.68Å; H179-F239 AromaticContact CD2-CZ 3.67Å; H179-F239 AromaticContact NE2-CE2 3.84Å; H179-F239 AromaticContact NE2-CZ 3.77Å; A182-F239 HydrophobicContact CB-CD1 3.66Å; A182-F239 HydrophobicContact CB-CE1 3.43Å; A182-F239 VanDerWaalsContact CB-CE1 3.43Å; A182-F239 HydrophobicContact CB-CG 4.49Å; A182-F239 HydrophobicContact CB-CZ 4.1Å; L183-F239 HydrophobicContact CD2-CE1 4.15Å; L183-F239 HydrophobicContact CD2-CZ 3.81Å; L183-F239 HydrophobicContact CG-CE1 4.43Å; L183-F239 HydrophobicContact CG-CZ 4.1Å; L186-F239 HydrophobicContact CD1-CE1 3.96Å; L186-F239 HydrophobicContact CD2-CD1 3.78Å; L186-F239 HydrophobicContact CD2-CE1 3.97Å; L186-F239 HydrophobicContact CG-CD1 4.32Å; L186-F239 HydrophobicContact CG-CE1 4Å; F227-F239 HydrophobicContact CB-CB 3.74Å; F227-F239 HydrophobicContact CD1-CB 4.48Å; F227-F239 HydrophobicContact CD2-CB 3.86Å; F227-F239 VanDerWaalsContact CD2-O 3.3Å; F227-F239 WeakPolarHBondContact CD2-O 3.26Å; F227-F239 HydrophobicContact CG-CB 3.8Å; L230-F239 HydrophobicContact CD2-CD1 4.24Å; L230-F239 HydrophobicContact CD2-CD2 3.83Å; L230-F239 HydrophobicContact CD2-CE1 4.33Å; L230-F239 HydrophobicContact CD2-CE2 3.94Å; L230-F239 HydrophobicContact CD2-CG 3.99Å; L230-F239 HydrophobicContact CD2-CZ 4.19Å; L230-F239 HydrophobicContact CG-CD2 4.13Å; L230-F239 HydrophobicContact CG-CE2 4.32Å; S231-F239 WeakPolarHBondContact OG-CB 3.27Å; P237-F239 PolarHBondContact O-N 3.33Å; F239-S241 VanDerWaalsContact C-N 3.27Å; F239-S241 PolarHBondContact O-N 3.09Å; F239-F242 PolarHBondContact O-N 2.88Å; F239-F242 VanDerWaalsContact O-N 3.13Å; F239-A243 PolarHBondContact O-N 3.2Å
240	E	97.1	Very high	96.8	Very high	4 Å²	4	31 Å²	31	2%	0.019	17%	0.171	C	C	.	.	H	α-helix	trans	-59	-40.4	177.4	-176.9	168.9	-179	0	0	111.6	M224 S231 R232 P237 F242 A243 S244 W507 R509	M224-E240 HydrophobicContact CE-CG 3.58Å; M224-E240 HydrophobicContact SD-CG 4.45Å; S231-E240 WeakPolarHBondContact OG-CB 3.3Å; S231-E240 PolarHBondContact OG-N 2.85Å; R232-E240 IonicContact CZ-OE1 2.98Å; R232-E240 IonicContact CZ-OE2 2.98Å; R232-E240 VanDerWaalsContact CZ-OE2 3.27Å; R232-E240 IonicContact NE-OE1 3.55Å; R232-E240 IonicContact NE-OE2 2.6Å; R232-E240 PolarHBondContact NE-OE2 3.42Å; R232-E240 VanDerWaalsContact NH2-CD 3.3Å; R232-E240 IonicContact NH2-OE1 2.69Å; R232-E240 PolarHBondContact NH2-OE1 3.09Å; R232-E240 IonicContact NH2-OE2 3.2Å; R232-E240 PolarHBondContact NH2-OE2 3.1Å; R232-E240 VanDerWaalsContact NH2-OE2 3.09Å; P237-E240 PolarHBondContact O-N 2.67Å; E240-F242 PolarHBondContact O-N 2.77Å; E240-A243 PolarHBondContact O-N 3.34Å; E240-S244 WeakPolarHBondContact O-CB 3.22Å; E240-S244 PolarHBondContact O-N 3.45Å; E240-W507 WeakPolarHBondContact OE2-CZ3 3.34Å; E240-R509 WeakPolarHBondContact OE1-CD 3.24Å; E240-R509 WeakPolarHBondContact OE1-CG 3.47Å; E240-R509 IonicContact OE1-CZ 2.85Å; E240-R509 IonicContact OE1-NE 2.74Å; E240-R509 PolarHBondContact OE1-NE 2.88Å
241	S	95.2	Very high	96.7	Very high	62 Å²	62	31.9 Å²	31.9	43%	0.434	17%	0.174	S	C	.	.	H	α-helix	trans	-62.9	-40.9	176.7	-175.9	0	0	0	0	112	P237 T238 F239 Q245	P237-S241 VanDerWaalsContact O-CB 3.24Å; P237-S241 WeakPolarHBondContact O-CB 3.26Å; P237-S241 PolarHBondContact O-N 3.01Å; T238-S241 PolarHBondContact O-N 3.36Å; F239-S241 VanDerWaalsContact C-N 3.27Å; F239-S241 PolarHBondContact O-N 3.09Å; S241-Q245 VanDerWaalsContact O-CB 3.25Å; S241-Q245 WeakPolarHBondContact O-CB 3.49Å; S241-Q245 PolarHBondContact O-N 3.04Å
242	F	96.6	Very high	96.5	Very high	50 Å²	50	35.5 Å²	35.5	22%	0.219	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-48.1	176.8	-81.2	-60.2	0	0	0	111.8	L186 F189 T238 F239 E240 S244 Q245 A246	L186-F242 HydrophobicContact CD2-CD2 3.67Å; L186-F242 HydrophobicContact CD2-CE2 3.84Å; F189-F242 HydrophobicContact CB-CD1 3.56Å; F189-F242 HydrophobicContact CB-CE1 3.65Å; F189-F242 HydrophobicContact CB-CG 4.17Å; F189-F242 HydrophobicContact CB-CZ 4.31Å; F189-F242 HydrophobicContact CD1-CB 3.81Å; F189-F242 AromaticContact CD1-CD1 3.82Å; F189-F242 HydrophobicContact CD1-CD1 3.82Å; F189-F242 HydrophobicContact CD1-CG 4.05Å; F189-F242 HydrophobicContact CE1-CB 3.9Å; F189-F242 HydrophobicContact CG-CB 4.16Å; F189-F242 AromaticContact CG-CD1 3.79Å; F189-F242 HydrophobicContact CG-CD1 3.79Å; F189-F242 HydrophobicContact CG-CE1 4.37Å; F189-F242 AromaticContact CG-CG 4Å; F189-F242 HydrophobicContact CG-CG 4Å; F189-F242 HydrophobicContact CZ-CB 4.32Å; T238-F242 HydrophobicContact CG2-CD2 3.87Å; T238-F242 HydrophobicContact CG2-CE2 3.58Å; T238-F242 WeakPolarHBondContact O-CD2 3.39Å; T238-F242 PolarHBondContact O-N 3Å; T238-F242 VanDerWaalsContact O-N 3.11Å; F239-F242 PolarHBondContact O-N 2.88Å; F239-F242 VanDerWaalsContact O-N 3.13Å; E240-F242 PolarHBondContact O-N 2.77Å; F242-S244 PolarHBondContact O-N 2.77Å; F242-Q245 PolarHBondContact O-N 3.34Å; F242-A246 PolarHBondContact O-N 3.07Å
243	A	97.9	Very high	96.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-42.7	178.6	0	0	0	0	0	112.3	L223 M224 F227 F239 E240 A246 N247	L223-A243 HydrophobicContact CB-CB 4.07Å; M224-A243 HydrophobicContact CB-CB 4.38Å; M224-A243 HydrophobicContact SD-CB 4.13Å; F227-A243 HydrophobicContact CB-CB 4Å; F227-A243 HydrophobicContact CD2-CB 4.03Å; F227-A243 HydrophobicContact CG-CB 4.4Å; F239-A243 PolarHBondContact O-N 3.2Å; E240-A243 PolarHBondContact O-N 3.34Å; A243-A246 PolarHBondContact O-N 2.81Å; A243-N247 PolarHBondContact O-N 3Å
244	S	95.9	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-40.6	176.1	-175.9	0	0	0	0	112.3	E240 F242 N247 R248 E513	E240-S244 WeakPolarHBondContact O-CB 3.22Å; E240-S244 PolarHBondContact O-N 3.45Å; F242-S244 PolarHBondContact O-N 2.77Å; S244-N247 PolarHBondContact O-N 2.99Å; S244-R248 WeakPolarHBondContact O-CB 3.46Å; S244-R248 VanDerWaalsContact O-CG 3.25Å; S244-R248 WeakPolarHBondContact O-CG 3.43Å; S244-R248 PolarHBondContact O-N 3.24Å; S244-R248 PolarHBondContact OG-NE 2.62Å; S244-E513 WeakPolarHBondContact CB-OE1 3.37Å; S244-E513 PolarHBondContact OG-OE1 2.96Å; S244-E513 PolarHBondContact OG-OE2 2.99Å
245	Q	94.4	Very high	96.1	Very high	94 Å²	94	32.9 Å²	32.9	44%	0.439	18%	0.176	S	C	.	.	H	α-helix	trans	-62.3	-44	175.1	-179.9	174.5	91	0	0	111.7	S241 F242 R248 A249	S241-Q245 VanDerWaalsContact O-CB 3.25Å; S241-Q245 WeakPolarHBondContact O-CB 3.49Å; S241-Q245 PolarHBondContact O-N 3.04Å; F242-Q245 PolarHBondContact O-N 3.34Å; Q245-R248 PolarHBondContact O-N 3.38Å; Q245-A249 WeakPolarHBondContact O-CB 3.39Å; Q245-A249 PolarHBondContact O-N 3.09Å
246	A	97	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-45.8	176.9	0	0	0	0	0	111.7	L196 A220 F242 A243 R248 A249 L250	L196-A246 HydrophobicContact CD2-CB 4.2Å; A220-A246 WeakPolarHBondContact O-CB 3.35Å; F242-A246 PolarHBondContact O-N 3.07Å; A243-A246 PolarHBondContact O-N 2.81Å; A246-R248 VanDerWaalsContact C-N 3.35Å; A246-R248 PolarHBondContact O-N 2.98Å; A246-A249 WeakPolarHBondContact O-CB 3.11Å; A246-A249 PolarHBondContact O-N 3.27Å; A246-A249 VanDerWaalsContact O-N 3.16Å; A246-L250 PolarHBondContact O-N 2.78Å
247	N	97.5	Very high	95.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-42.8	176.5	-75.8	1	0	0	0	112.5	G221 A243 S244 A249 L250 Y251 F286 L290	G221-N247 WeakPolarHBondContact CA-OD1 3.48Å; G221-N247 PolarHBondContact O-OD1 2.92Å; A243-N247 PolarHBondContact O-N 3Å; S244-N247 PolarHBondContact O-N 2.99Å; N247-A249 VanDerWaalsContact C-N 3.35Å; N247-L250 PolarHBondContact O-N 3.35Å; N247-Y251 VanDerWaalsContact O-CB 3.27Å; N247-Y251 WeakPolarHBondContact O-CB 3.35Å; N247-Y251 PolarHBondContact O-N 3.33Å; N247-F286 HydrophobicContact CB-CE2 4.33Å; N247-L290 HydrophobicContact CB-CD2 4.4Å
248	R	95	Very high	95.9	Very high	39 Å²	39	28.9 Å²	28.9	15%	0.147	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-35.8	176.5	-70.3	168.5	-179.4	-80.5	-5.7	112.1	S244 Q245 A246 K252 E513 K514 V516	S244-R248 WeakPolarHBondContact O-CB 3.46Å; S244-R248 VanDerWaalsContact O-CG 3.25Å; S244-R248 WeakPolarHBondContact O-CG 3.43Å; S244-R248 PolarHBondContact O-N 3.24Å; S244-R248 PolarHBondContact OG-NE 2.62Å; Q245-R248 PolarHBondContact O-N 3.38Å; A246-R248 VanDerWaalsContact C-N 3.35Å; A246-R248 PolarHBondContact O-N 2.98Å; R248-K252 VanDerWaalsContact O-CB 3.26Å; R248-K252 WeakPolarHBondContact O-CB 3.36Å; R248-K252 PolarHBondContact O-N 3.18Å; R248-E513 IonicContact CZ-OE2 3.25Å; R248-E513 IonicContact NE-OE2 3.73Å; R248-E513 PolarHBondContact NE-OE2 3.33Å; R248-E513 IonicContact NH2-OE2 3.05Å; R248-E513 PolarHBondContact NH2-OE2 3.21Å; R248-K514 PolarHBondContact NH1-O 2.98Å; R248-K514 VanDerWaalsContact NH1-O 3.12Å; R248-V516 VanDerWaalsContact NH1-CG2 3.25Å
249	A	95.2	Very high	95.9	Very high	21 Å²	21	27.2 Å²	27.2	17%	0.174	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-46.1	176	0	0	0	0	0	111.4	T194 L196 Q245 A246 N247 K252 S253	T194-A249 WeakPolarHBondContact O-CB 3.32Å; L196-A249 HydrophobicContact CD2-CB 3.86Å; L196-A249 HydrophobicContact CG-CB 4.1Å; Q245-A249 WeakPolarHBondContact O-CB 3.39Å; Q245-A249 PolarHBondContact O-N 3.09Å; A246-A249 WeakPolarHBondContact O-CB 3.11Å; A246-A249 PolarHBondContact O-N 3.27Å; A246-A249 VanDerWaalsContact O-N 3.16Å; N247-A249 VanDerWaalsContact C-N 3.35Å; A249-K252 PolarHBondContact O-N 3.06Å; A249-S253 PolarHBondContact O-N 2.74Å; A249-S253 VanDerWaalsContact O-N 3.09Å
250	L	97.2	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-48	172.2	-69.5	171.6	0	0	0	111.3	L196 T217 A220 A246 N247 K252 S253 L261 I265 W272 F286	L196-L250 HydrophobicContact CD1-CD2 4.41Å; L196-L250 HydrophobicContact CD2-CD2 3.96Å; L196-L250 HydrophobicContact CD2-CG 3.74Å; T217-L250 HydrophobicContact CG2-CD1 4.4Å; T217-L250 WeakPolarHBondContact O-CD1 3.18Å; A220-L250 HydrophobicContact CB-CD1 4.16Å; A246-L250 PolarHBondContact O-N 2.78Å; N247-L250 PolarHBondContact O-N 3.35Å; L250-K252 PolarHBondContact O-N 3.4Å; L250-S253 PolarHBondContact O-N 3.36Å; L250-S253 PolarHBondContact O-OG 3.01Å; L250-L261 WeakPolarHBondContact O-CD2 3.21Å; L250-I265 HydrophobicContact CD2-CD1 4.45Å; L250-I265 HydrophobicContact CD2-CG2 4.26Å; L250-W272 HydrophobicContact CD2-CH2 4.05Å; L250-F286 HydrophobicContact CB-CE2 4.23Å; L250-F286 HydrophobicContact CB-CZ 4.03Å; L250-F286 HydrophobicContact CD1-CD2 3.89Å; L250-F286 HydrophobicContact CD1-CE2 3.67Å; L250-F286 HydrophobicContact CD1-CZ 4.23Å
251	Y	96.2	Very high	95.9	Very high	20 Å²	20	27 Å²	27	8%	0.078	15%	0.151	C	C	.	.	H	α-helix	trans	-55.6	-42.5	176.9	-171.1	-89.8	0	0	0	110.7	N247 S253 R254 M305 S308 L309 V516	N247-Y251 VanDerWaalsContact O-CB 3.27Å; N247-Y251 WeakPolarHBondContact O-CB 3.35Å; N247-Y251 PolarHBondContact O-N 3.33Å; Y251-S253 VanDerWaalsContact C-N 3.34Å; Y251-S253 PolarHBondContact O-N 3.26Å; Y251-R254 VanDerWaalsContact C-NH1 3.31Å; Y251-R254 VanDerWaalsContact CA-NH1 3.34Å; Y251-R254 VanDerWaalsContact CE1-NH1 3.32Å; Y251-R254 VanDerWaalsContact CE2-CZ 3.4Å; Y251-R254 VanDerWaalsContact CZ-CZ 3.44Å; Y251-R254 WeakPolarHBondContact O-CG 3.5Å; Y251-R254 VanDerWaalsContact O-CZ 3.23Å; Y251-R254 PolarHBondContact O-NH1 3.1Å; Y251-R254 PolarHBondContact OH-NH2 3.47Å; Y251-R254 VanDerWaalsContact OH-NH2 3.14Å; Y251-M305 VanDerWaalsContact CB-SD 3.59Å; Y251-M305 HydrophobicContact CD1-CG 3.98Å; Y251-M305 HydrophobicContact CD1-SD 4.05Å; Y251-M305 HydrophobicContact CD2-CB 3.32Å; Y251-M305 HydrophobicContact CD2-CG 3.18Å; Y251-M305 HydrophobicContact CD2-SD 3.57Å; Y251-M305 VanDerWaalsContact CD2-SD 3.57Å; Y251-M305 HydrophobicContact CE1-CG 4.08Å; Y251-M305 HydrophobicContact CE2-CB 3.4Å; Y251-M305 HydrophobicContact CE2-CG 3.39Å; Y251-M305 WeakPolarHBondContact CE2-O 3.46Å; Y251-M305 HydrophobicContact CE2-SD 4.38Å; Y251-M305 HydrophobicContact CG-CB 4.19Å; Y251-M305 HydrophobicContact CG-CG 3.54Å; Y251-M305 HydrophobicContact CG-SD 3.42Å; Y251-S308 WeakPolarHBondContact OH-CB 3.27Å; Y251-L309 HydrophobicContact CD2-CD1 4.3Å; Y251-V516 HydrophobicContact CD1-CG1 3.36Å; Y251-V516 HydrophobicContact CE1-CG1 3.24Å; Y251-V516 HydrophobicContact CG-CG1 4.34Å
252	K	94.6	Very high	96	Very high	76 Å²	76	24.1 Å²	24.1	33%	0.33	13%	0.13	S	C	.	.	H	α-helix	trans	-69.2	-27.7	179.4	-172.6	-176.9	172.9	-154.5	0	114	R248 A249 L250 R254 Q521	R248-K252 VanDerWaalsContact O-CB 3.26Å; R248-K252 WeakPolarHBondContact O-CB 3.36Å; R248-K252 PolarHBondContact O-N 3.18Å; A249-K252 PolarHBondContact O-N 3.06Å; L250-K252 PolarHBondContact O-N 3.4Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 3.39Å; K252-Q521 VanDerWaalsContact CE-NE2 3.33Å
253	S	95.2	Very high	96	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.063	13%	0.13	C	C	.	.	H	α-helix	trans	-82.2	-2.5	-175.6	65.4	0	0	0	0	114.2	A249 L250 Y251 W272	A249-S253 PolarHBondContact O-N 2.74Å; A249-S253 VanDerWaalsContact O-N 3.09Å; L250-S253 PolarHBondContact O-N 3.36Å; L250-S253 PolarHBondContact O-OG 3.01Å; Y251-S253 VanDerWaalsContact C-N 3.34Å; Y251-S253 PolarHBondContact O-N 3.26Å; S253-W272 PolarHBondContact O-NE1 2.88Å; S253-W272 WeakPolarHBondContact OG-CZ2 3.2Å
254	R	96.1	Very high	96	Very high	17 Å²	17	25.5 Å²	25.5	6%	0.064	14%	0.141	C	C	.	.	S	Bend	trans	-53	152.5	178.2	-69.9	-166.7	-46.9	-85	0.5	114.1	Y251 K252 C256 G259 L260 L261 L309	Y251-R254 VanDerWaalsContact C-NH1 3.31Å; Y251-R254 VanDerWaalsContact CA-NH1 3.34Å; Y251-R254 VanDerWaalsContact CE1-NH1 3.32Å; Y251-R254 VanDerWaalsContact CE2-CZ 3.4Å; Y251-R254 VanDerWaalsContact CZ-CZ 3.44Å; Y251-R254 WeakPolarHBondContact O-CG 3.5Å; Y251-R254 VanDerWaalsContact O-CZ 3.23Å; Y251-R254 PolarHBondContact O-NH1 3.1Å; Y251-R254 PolarHBondContact OH-NH2 3.47Å; Y251-R254 VanDerWaalsContact OH-NH2 3.14Å; K252-R254 VanDerWaalsContact C-N 3.3Å; K252-R254 PolarHBondContact O-N 3.39Å; R254-C256 PolarHBondContact O-N 3.28Å; R254-G259 VanDerWaalsContact CD-O 3.23Å; R254-G259 WeakPolarHBondContact CD-O 3.44Å; R254-L260 CarbonylContact C-O 3.58Å; R254-L260 WeakPolarHBondContact CA-O 3.49Å; R254-L260 WeakPolarHBondContact CB-O 3.31Å; R254-L261 HydrophobicContact CB-CD2 4.45Å; R254-L261 HydrophobicContact CG-CD2 3.36Å; R254-L261 HydrophobicContact CG-CG 3.8Å; R254-L309 HydrophobicContact CG-CD2 4.34Å
255	S	95.5	Very high	96.1	Very high	17 Å²	17	25.5 Å²	25.5	12%	0.119	14%	0.141	C	C	.	.			trans	-58.4	131.1	169.6	168	0	0	0	0	110.8	T257 T258 G259 L260 L339	S255-T257 PolarHBondContact O-N 3.05Å; S255-T257 PolarHBondContact OG-N 3.03Å; S255-T258 VanDerWaalsContact CB-OG1 3.25Å; S255-T258 WeakPolarHBondContact CB-OG1 3.44Å; S255-T258 PolarHBondContact OG-N 3.35Å; S255-T258 PolarHBondContact OG-OG1 2.98Å; S255-G259 VanDerWaalsContact O-CA 3.22Å; S255-G259 WeakPolarHBondContact O-CA 3.47Å; S255-G259 PolarHBondContact O-N 3.2Å; S255-L260 PolarHBondContact N-O 2.95Å; S255-L339 WeakPolarHBondContact CB-O 3.35Å; S255-L339 PolarHBondContact OG-O 3.16Å; S255-L339 VanDerWaalsContact OG-O 3.13Å
256	C	92.5	Very high	96.2	Very high	47 Å²	47	22.2 Å²	22.2	32%	0.318	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.4	174.1	-77.6	0	0	0	0	114.4	R254 C520 N522	R254-C256 PolarHBondContact O-N 3.28Å; C256-C520 WeakPolarHBondContact CA-SG 3.45Å; C256-C520 HydrophobicContact CB-CB 3.99Å; C256-C520 WeakPolarHBondContact CB-SG 3.01Å; C256-C520 VanDerWaalsContact SG-C 3.52Å; C256-C520 WeakPolarHBondContact SG-CB 3.44Å; C256-C520 PolarHBondContact SG-O 3.44Å; C256-C520 VanDerWaalsContact SG-O 3.35Å; C256-C520 CovalentContact SG-SG 2.02Å; C256-C520 PolarHBondContact SG-SG 3.07Å; C256-N522 VanDerWaalsContact CB-OD1 3.28Å; C256-N522 WeakPolarHBondContact CB-OD1 3.25Å; C256-N522 PolarHBondContact SG-OD1 3.31Å
257	T	94.4	Very high	96.2	Very high	94 Å²	94	22.2 Å²	22.2	58%	0.577	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-48.4	-178.3	-53.6	0	0	0	0	110.7	S255 Y316 S340	S255-T257 PolarHBondContact O-N 3.05Å; S255-T257 PolarHBondContact OG-N 3.03Å; T257-Y316 PolarHBondContact O-OH 2.98Å; T257-S340 VanDerWaalsContact CB-O 3.29Å; T257-S340 WeakPolarHBondContact CB-O 3.42Å
258	T	96.6	Very high	96.2	Very high	4 Å²	4	24 Å²	24	3%	0.025	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-18.4	-170.8	63.1	0	0	0	0	113.3	S255 L260 S312 Y316 L339	S255-T258 VanDerWaalsContact CB-OG1 3.25Å; S255-T258 WeakPolarHBondContact CB-OG1 3.44Å; S255-T258 PolarHBondContact OG-N 3.35Å; S255-T258 PolarHBondContact OG-OG1 2.98Å; T258-L260 PolarHBondContact O-N 3.36Å; T258-L260 WeakPolarHBondContact OG1-CB 3.5Å; T258-L260 PolarHBondContact OG1-N 2.9Å; T258-S312 WeakPolarHBondContact O-CB 3.27Å; T258-S312 PolarHBondContact O-OG 2.76Å; T258-Y316 HydrophobicContact CG2-CD1 4.21Å; T258-Y316 HydrophobicContact CG2-CE1 3.88Å; T258-Y316 HydrophobicContact CG2-CE2 4.47Å; T258-Y316 WeakPolarHBondContact O-CD2 3.43Å; T258-Y316 WeakPolarHBondContact O-CE2 3.23Å; T258-L339 WeakPolarHBondContact CG2-O 3.14Å; T258-L339 PolarHBondContact OG1-O 2.86Å
259	G	96.4	Very high	96.2	Very high	16 Å²	16	25.4 Å²	25.4	17%	0.165	15%	0.148	C	C	.	.			trans	63.6	24.6	-170.7	0	0	0	0	0	113.2	R254 S255 S312	R254-G259 VanDerWaalsContact CD-O 3.23Å; R254-G259 WeakPolarHBondContact CD-O 3.44Å; S255-G259 VanDerWaalsContact O-CA 3.22Å; S255-G259 WeakPolarHBondContact O-CA 3.47Å; S255-G259 PolarHBondContact O-N 3.2Å; G259-S312 VanDerWaalsContact O-CB 3.32Å; G259-S312 WeakPolarHBondContact O-CB 3.19Å; G259-S312 PolarHBondContact O-OG 2.87Å
260	L	97.6	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.			trans	-99.5	167.4	177	-66	175.1	0	0	0	112.3	R254 S255 T258 S277 Y316 L317 V337 L339	R254-L260 CarbonylContact C-O 3.58Å; R254-L260 WeakPolarHBondContact CA-O 3.49Å; R254-L260 WeakPolarHBondContact CB-O 3.31Å; S255-L260 PolarHBondContact N-O 2.95Å; T258-L260 PolarHBondContact O-N 3.36Å; T258-L260 WeakPolarHBondContact OG1-CB 3.5Å; T258-L260 PolarHBondContact OG1-N 2.9Å; L260-S277 WeakPolarHBondContact CB-OG 3.43Å; L260-Y316 HydrophobicContact CD1-CG 4.22Å; L260-L317 HydrophobicContact CD1-CD2 4.11Å; L260-L317 HydrophobicContact CD2-CD2 4.47Å; L260-L317 HydrophobicContact CD2-CG 4.43Å; L260-V337 HydrophobicContact CD1-CG2 3.58Å; L260-L339 VanDerWaalsContact C-CD1 3.47Å; L260-L339 HydrophobicContact CB-CD1 4.22Å; L260-L339 WeakPolarHBondContact O-CD1 3.2Å
261	L	97.6	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.			trans	-108.2	149.1	172.5	-63.5	162.4	0	0	0	109.8	T217 L250 R254 W272 S277 M283 F286 Y287 L309	T217-L261 HydrophobicContact CG2-CB 4.36Å; T217-L261 HydrophobicContact CG2-CD1 3.89Å; L250-L261 WeakPolarHBondContact O-CD2 3.21Å; R254-L261 HydrophobicContact CB-CD2 4.45Å; R254-L261 HydrophobicContact CG-CD2 3.36Å; R254-L261 HydrophobicContact CG-CG 3.8Å; L261-W272 HydrophobicContact CB-CH2 3.97Å; L261-W272 HydrophobicContact CB-CZ2 3.97Å; L261-W272 HydrophobicContact CD2-CH2 3.95Å; L261-W272 HydrophobicContact CD2-CZ2 3.48Å; L261-W272 VanDerWaalsContact CD2-CZ2 3.48Å; L261-W272 HydrophobicContact CG-CZ2 4.34Å; L261-S277 WeakPolarHBondContact O-CB 3.18Å; L261-S277 PolarHBondContact O-OG 3.23Å; L261-M283 HydrophobicContact CB-CE 4.49Å; L261-M283 VanDerWaalsContact O-CE 3.28Å; L261-M283 WeakPolarHBondContact O-CE 3.36Å; L261-F286 HydrophobicContact CD1-CD1 3.62Å; L261-F286 HydrophobicContact CD1-CE1 3.26Å; L261-F286 HydrophobicContact CD1-CZ 4.24Å; L261-Y287 HydrophobicContact CD1-CE1 4.08Å; L261-L309 HydrophobicContact CD1-CD1 4.14Å; L261-L309 HydrophobicContact CD1-CD2 3.95Å; L261-L309 HydrophobicContact CG-CD2 4.14Å
262	G	96.5	Very high	96.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.			trans	-80.9	-177.5	168.3	0	0	0	0	0	111.5	T217 W272 G274 L276	T217-G262 PolarHBondContact OG1-O 3.26Å; G262-W272 VanDerWaalsContact C-CE3 3.5Å; G262-W272 WeakPolarHBondContact O-CZ3 3.47Å; G262-G274 WeakPolarHBondContact CA-O 3.36Å; G262-L276 CarbonylContact C-O 3.56Å
263	N	96.7	Very high	96.2	Very high	40 Å²	40	31.2 Å²	31.2	21%	0.214	18%	0.175	C	C	.	.	S	Bend	trans	-101.1	-19.5	179.8	69.8	-44.6	0	0	0	113.6	C216 G274 L276 M283	C216-N263 WeakPolarHBondContact CA-O 3.37Å; C216-N263 VanDerWaalsContact CB-O 3.25Å; C216-N263 WeakPolarHBondContact CB-O 3.36Å; N263-G274 PolarHBondContact N-O 3.49Å; N263-G274 VanDerWaalsContact N-O 3.1Å; N263-G274 WeakPolarHBondContact OD1-CA 3.21Å; N263-G274 PolarHBondContact OD1-O 3.02Å; N263-G274 VanDerWaalsContact OD1-O 3.08Å; N263-L276 HydrophobicContact CB-CD2 4.32Å; N263-L276 WeakPolarHBondContact CB-O 3.5Å; N263-L276 PolarHBondContact N-O 2.85Å; N263-L276 PolarHBondContact OD1-N 2.69Å; N263-L276 PolarHBondContact OD1-O 3.1Å; N263-M283 HydrophobicContact CB-CG 4.08Å; N263-M283 HydrophobicContact CB-SD 3.79Å
264	V	97.9	Very high	96.2	Very high	40 Å²	40	31.3 Å²	31.3	24%	0.242	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.6	176.9	-176.4	0	0	0	0	110.5	L214 T215 W272 M273 G274	L214-V264 HydrophobicContact CB-CG1 3.94Å; L214-V264 HydrophobicContact CD1-CG1 4.44Å; T215-V264 CarbonylContact O-C 3.59Å; T215-V264 WeakPolarHBondContact O-CA 3.39Å; V264-W272 CarbonylContact O-C 3.58Å; V264-W272 WeakPolarHBondContact O-CA 3.15Å; V264-M273 HydrophobicContact CG1-CB 4.31Å; V264-M273 PolarHBondContact O-N 3.39Å; V264-G274 PolarHBondContact O-N 2.96Å
265	I	97.7	Very high	96.2	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.9	-178.7	-170.5	161.8	0	0	0	110.9	L196 L214 T215 L250 W272	L196-I265 HydrophobicContact CD1-CD1 3.79Å; L196-I265 HydrophobicContact CD1-CG1 4.13Å; L196-I265 HydrophobicContact CD1-CG2 3.9Å; L214-I265 WeakPolarHBondContact CA-O 3.21Å; T215-I265 HydrophobicContact CG2-CG2 3.66Å; T215-I265 PolarHBondContact N-O 3.29Å; T215-I265 PolarHBondContact O-N 3.47Å; L250-I265 HydrophobicContact CD2-CD1 4.45Å; L250-I265 HydrophobicContact CD2-CG2 4.26Å; I265-W272 HydrophobicContact CB-CD2 4.33Å; I265-W272 HydrophobicContact CB-CE3 3.7Å; I265-W272 HydrophobicContact CB-CH2 4.24Å; I265-W272 HydrophobicContact CB-CZ3 3.64Å; I265-W272 HydrophobicContact CD1-CD2 4.33Å; I265-W272 HydrophobicContact CD1-CE3 4.42Å; I265-W272 HydrophobicContact CD1-CH2 4.11Å; I265-W272 HydrophobicContact CD1-CZ2 4.03Å; I265-W272 HydrophobicContact CD1-CZ3 4.31Å; I265-W272 HydrophobicContact CG1-CD2 4.5Å; I265-W272 HydrophobicContact CG1-CE3 4.35Å; I265-W272 HydrophobicContact CG1-CZ3 4.46Å; I265-W272 HydrophobicContact CG2-CZ3 4.21Å
266	D	97.7	Very high	96.3	Very high	25 Å²	25	34.9 Å²	34.9	13%	0.134	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.2	170.3	177.8	-70.7	0	0	0	110.1	N213 L214 Q268 T269 G270 H271 M273	N213-D266 CarbonylContact O-C 3.55Å; N213-D266 WeakPolarHBondContact O-CA 3.36Å; L214-D266 HydrophobicContact CD2-CB 3.93Å; D266-Q268 PolarHBondContact O-N 3.13Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.26Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.3Å; D266-Q268 PolarHBondContact OD1-N 2.89Å; D266-T269 WeakPolarHBondContact CB-OG1 3.09Å; D266-T269 PolarHBondContact OD1-N 3.05Å; D266-T269 PolarHBondContact OD1-OG1 3.22Å; D266-G270 VanDerWaalsContact O-CA 3.28Å; D266-G270 WeakPolarHBondContact O-CA 3.2Å; D266-G270 PolarHBondContact O-N 3.33Å; D266-H271 PolarHBondContact N-O 3.25Å; D266-M273 HydrophobicContact CB-CG 4.12Å
267	I	96.9	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-12.7	-173.9	71.9	-178.6	0	0	0	113.9	T192 T194 L196 Y198 N213 T215	T192-I267 HydrophobicContact CG2-CD1 3.93Å; T192-I267 HydrophobicContact CG2-CG1 4.49Å; T194-I267 WeakPolarHBondContact CB-O 3.47Å; T194-I267 WeakPolarHBondContact CG2-O 3.49Å; T194-I267 PolarHBondContact N-O 3.48Å; T194-I267 PolarHBondContact OG1-O 3Å; L196-I267 HydrophobicContact CB-CB 4.03Å; L196-I267 HydrophobicContact CB-CG2 3.82Å; Y198-I267 HydrophobicContact CD1-CD1 3.44Å; Y198-I267 VanDerWaalsContact CD1-CD1 3.44Å; Y198-I267 HydrophobicContact CD2-CD1 3.89Å; Y198-I267 HydrophobicContact CE1-CD1 3.56Å; Y198-I267 HydrophobicContact CE2-CD1 3.98Å; Y198-I267 HydrophobicContact CG-CD1 3.61Å; N213-I267 HydrophobicContact CB-CG1 4.12Å; N213-I267 WeakPolarHBondContact O-CG1 3.24Å; N213-I267 PolarHBondContact O-N 2.6Å; T215-I267 HydrophobicContact CG2-CG2 3.52Å
268	Q	96.2	Very high	96.7	Very high	37 Å²	37	28.1 Å²	28.1	17%	0.173	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-33.6	-179.4	-63.2	-61.3	-14	0	0	111.9	G191 N193 Y198 N213 D266	G191-Q268 PolarHBondContact O-NE2 2.75Å; N193-Q268 VanDerWaalsContact CB-O 3.25Å; N193-Q268 WeakPolarHBondContact CB-O 3.35Å; N193-Q268 VanDerWaalsContact N-OE1 3.16Å; N193-Q268 PolarHBondContact ND2-O 3.02Å; N193-Q268 PolarHBondContact ND2-OE1 3.47Å; Y198-Q268 PolarHBondContact OH-NE2 2.99Å; Y198-Q268 VanDerWaalsContact OH-NE2 3.13Å; N213-Q268 HydrophobicContact CB-CG 4.28Å; D266-Q268 PolarHBondContact O-N 3.13Å; D266-Q268 WeakPolarHBondContact OD1-CA 3.26Å; D266-Q268 WeakPolarHBondContact OD1-CB 3.3Å; D266-Q268 PolarHBondContact OD1-N 2.89Å
269	T	96	Very high	96.8	Very high	69 Å²	69	28 Å²	28	42%	0.423	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-26.5	-178.3	61.2	0	0	0	0	112.6	D266 H271	D266-T269 WeakPolarHBondContact CB-OG1 3.09Å; D266-T269 PolarHBondContact OD1-N 3.05Å; D266-T269 PolarHBondContact OD1-OG1 3.22Å; T269-H271 PolarHBondContact OG1-N 3.22Å
270	G	94.7	Very high	96.8	Very high	7 Å²	7	27.4 Å²	27.4	7%	0.072	15%	0.145	C	C	.	.			trans	74.3	12.7	-171.8	0	0	0	0	0	113.4	D266 Q523	D266-G270 VanDerWaalsContact O-CA 3.28Å; D266-G270 WeakPolarHBondContact O-CA 3.2Å; D266-G270 PolarHBondContact O-N 3.33Å; G270-Q523 PolarHBondContact O-OE1 2.91Å
271	H	94.7	Very high	96.7	Very high	85 Å²	85	29.1 Å²	29.1	39%	0.394	16%	0.16	S	C	.	.			trans	-87.3	139.2	178	-62.1	153.4	0	0	0	111.4	D266 T269 M273 Q523	D266-H271 PolarHBondContact N-O 3.25Å; T269-H271 PolarHBondContact OG1-N 3.22Å; H271-M273 PolarHBondContact O-N 3.17Å; H271-Q523 PolarHBondContact CD2-OE1 3.42Å
272	W	97.1	Very high	96.6	Very high	27 Å²	27	30.1 Å²	30.1	10%	0.102	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122.2	171.1	-63.6	103.8	0	0	0	110.4	T217 L250 S253 L261 G262 V264 I265 M275 L339	T217-W272 VanDerWaalsContact OG1-CH2 3.23Å; T217-W272 WeakPolarHBondContact OG1-CH2 3.22Å; T217-W272 VanDerWaalsContact OG1-CZ3 3.22Å; T217-W272 WeakPolarHBondContact OG1-CZ3 3.31Å; L250-W272 HydrophobicContact CD2-CH2 4.05Å; S253-W272 PolarHBondContact O-NE1 2.88Å; S253-W272 WeakPolarHBondContact OG-CZ2 3.2Å; L261-W272 HydrophobicContact CB-CH2 3.97Å; L261-W272 HydrophobicContact CB-CZ2 3.97Å; L261-W272 HydrophobicContact CD2-CH2 3.95Å; L261-W272 HydrophobicContact CD2-CZ2 3.48Å; L261-W272 VanDerWaalsContact CD2-CZ2 3.48Å; L261-W272 HydrophobicContact CG-CZ2 4.34Å; G262-W272 VanDerWaalsContact C-CE3 3.5Å; G262-W272 WeakPolarHBondContact O-CZ3 3.47Å; V264-W272 CarbonylContact O-C 3.58Å; V264-W272 WeakPolarHBondContact O-CA 3.15Å; I265-W272 HydrophobicContact CB-CD2 4.33Å; I265-W272 HydrophobicContact CB-CE3 3.7Å; I265-W272 HydrophobicContact CB-CH2 4.24Å; I265-W272 HydrophobicContact CB-CZ3 3.64Å; I265-W272 HydrophobicContact CD1-CD2 4.33Å; I265-W272 HydrophobicContact CD1-CE3 4.42Å; I265-W272 HydrophobicContact CD1-CH2 4.11Å; I265-W272 HydrophobicContact CD1-CZ2 4.03Å; I265-W272 HydrophobicContact CD1-CZ3 4.31Å; I265-W272 HydrophobicContact CG1-CD2 4.5Å; I265-W272 HydrophobicContact CG1-CE3 4.35Å; I265-W272 HydrophobicContact CG1-CZ3 4.46Å; I265-W272 HydrophobicContact CG2-CZ3 4.21Å; W272-M275 HydrophobicContact CB-SD 3.92Å; W272-L339 HydrophobicContact CB-CD2 3.74Å; W272-L339 HydrophobicContact CD2-CD2 4.25Å; W272-L339 HydrophobicContact CG-CD2 3.49Å; W272-L339 VanDerWaalsContact CG-CD2 3.49Å
273	M	96.2	Very high	96.6	Very high	120 Å²	120	30.1 Å²	30.1	59%	0.591	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	-28	172.5	-61	-55.9	-62.7	0	0	111.3	L214 V264 D266 H271	L214-M273 HydrophobicContact CD2-CB 4.29Å; L214-M273 HydrophobicContact CD2-CG 3.7Å; V264-M273 HydrophobicContact CG1-CB 4.31Å; V264-M273 PolarHBondContact O-N 3.39Å; D266-M273 HydrophobicContact CB-CG 4.12Å; H271-M273 PolarHBondContact O-N 3.17Å
274	G	95	Very high	96.4	Very high	12 Å²	12	29 Å²	29	12%	0.124	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.1	171	0	0	0	0	0	109.6	G262 N263 V264	G262-G274 WeakPolarHBondContact CA-O 3.36Å; N263-G274 PolarHBondContact N-O 3.49Å; N263-G274 VanDerWaalsContact N-O 3.1Å; N263-G274 WeakPolarHBondContact OD1-CA 3.21Å; N263-G274 PolarHBondContact OD1-O 3.02Å; N263-G274 VanDerWaalsContact OD1-O 3.08Å; V264-G274 PolarHBondContact O-N 2.96Å
275	M	96.2	Very high	96.4	Very high	72 Å²	72	27.2 Å²	27.2	36%	0.355	15%	0.153	S	C	.	.			trans	-88.5	-6.4	-175.1	-58.6	-62.2	-73.5	0	0	113.3	W272 S277 L339	W272-M275 HydrophobicContact CB-SD 3.92Å; M275-S277 PolarHBondContact O-N 2.98Å; M275-L339 HydrophobicContact CE-CB 4.28Å; M275-L339 HydrophobicContact CE-CD2 3.73Å; M275-L339 HydrophobicContact CE-CG 4.21Å; M275-L339 VanDerWaalsContact O-CB 3.28Å; M275-L339 WeakPolarHBondContact O-CB 3.15Å; M275-L339 PolarHBondContact O-N 3.29Å; M275-L339 HydrophobicContact SD-CD2 3.84Å
276	L	97.6	Very high	96.4	Very high	36 Å²	36	27.1 Å²	27.1	19%	0.188	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130.3	176.2	179.9	148.9	0	0	0	108.9	G262 N263 M283 N336 N346 W348	G262-L276 CarbonylContact C-O 3.56Å; N263-L276 HydrophobicContact CB-CD2 4.32Å; N263-L276 WeakPolarHBondContact CB-O 3.5Å; N263-L276 PolarHBondContact N-O 2.85Å; N263-L276 PolarHBondContact OD1-N 2.69Å; N263-L276 PolarHBondContact OD1-O 3.1Å; L276-M283 HydrophobicContact CD2-SD 4.39Å; L276-N336 HydrophobicContact CD1-CB 4.3Å; L276-N336 HydrophobicContact CG-CB 4.28Å; L276-N346 WeakPolarHBondContact CD1-ND2 3.32Å; L276-W348 HydrophobicContact CD1-CH2 4.31Å; L276-W348 HydrophobicContact CD1-CZ2 3.9Å
277	S	98.4	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.8	176.6	-165.3	0	0	0	0	110.6	L260 L261 M275 N336 V337	L260-S277 WeakPolarHBondContact CB-OG 3.43Å; L261-S277 WeakPolarHBondContact O-CB 3.18Å; L261-S277 PolarHBondContact O-OG 3.23Å; M275-S277 PolarHBondContact O-N 2.98Å; S277-N336 WeakPolarHBondContact O-CA 3.41Å; S277-V337 PolarHBondContact N-O 2.85Å; S277-V337 PolarHBondContact O-N 3.46Å
278	G	97.9	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.			trans	-159.7	-165.2	-179.2	0	0	0	0	0	111.7	M283 Y287	G278-M283 PolarHBondContact N-SD 3.33Å; G278-M283 WeakPolarHBondContact O-CE 3.4Å; G278-Y287 WeakPolarHBondContact O-CE2 3.16Å; G278-Y287 PolarHBondContact O-OH 3.33Å
279	I	98.1	Very high	96.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-124.9	17	175.7	51.3	154	0	0	0	111.8	Y287 I313 L317 Y334 Q353 F356	I279-Y287 HydrophobicContact CB-CE2 4.48Å; I279-Y287 HydrophobicContact CG2-CD2 4.18Å; I279-Y287 HydrophobicContact CG2-CE2 3.85Å; I279-I313 HydrophobicContact CG2-CD1 3.79Å; I279-I313 HydrophobicContact CG2-CG1 4.05Å; I279-I313 HydrophobicContact CG2-CG2 4.01Å; I279-L317 HydrophobicContact CG2-CD1 3.87Å; I279-Y334 HydrophobicContact CD1-CD1 4.05Å; I279-Y334 HydrophobicContact CD1-CD2 4.26Å; I279-Y334 HydrophobicContact CD1-CG 3.72Å; I279-Q353 HydrophobicContact CD1-CG 3.67Å; I279-Q353 HydrophobicContact CG1-CG 3.71Å; I279-F356 HydrophobicContact CB-CD2 4.04Å; I279-F356 HydrophobicContact CB-CE2 4.25Å; I279-F356 HydrophobicContact CB-CG 4.25Å; I279-F356 HydrophobicContact CD1-CB 3.84Å; I279-F356 HydrophobicContact CD1-CD1 3.4Å; I279-F356 HydrophobicContact CD1-CD2 4.19Å; I279-F356 HydrophobicContact CD1-CE1 3.92Å; I279-F356 HydrophobicContact CD1-CG 3.55Å; I279-F356 HydrophobicContact CG2-CD2 4.16Å; I279-F356 HydrophobicContact CG2-CE1 4.42Å; I279-F356 HydrophobicContact CG2-CE2 3.85Å; I279-F356 HydrophobicContact CG2-CZ 3.99Å
280	G	97	Very high	96.8	Very high	3 Å²	3	21 Å²	21	3%	0.031	12%	0.118	C	C	.	.	S	Bend	trans	-105.7	-147.2	176.7	0	0	0	0	0	112.3	G282 M283 D284 D350	G280-G282 PolarHBondContact O-N 2.69Å; G280-M283 PolarHBondContact O-N 3.14Å; G280-D284 PolarHBondContact O-N 3.38Å; G280-D350 VanDerWaalsContact CA-OD1 3.25Å; G280-D350 WeakPolarHBondContact CA-OD1 3.09Å; G280-D350 WeakPolarHBondContact CA-OD2 3.47Å
281	A	94.6	Very high	97	Very high	37 Å²	37	21 Å²	21	31%	0.306	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	125.8	-168.6	0	0	0	0	0	113.7	M283 D350 L352	A281-M283 VanDerWaalsContact C-N 3.35Å; A281-D350 PolarHBondContact N-OD1 3.35Å; A281-D350 PolarHBondContact N-OD2 2.78Å; A281-L352 HydrophobicContact CB-CD1 4.22Å; A281-L352 HydrophobicContact CB-CD2 4.33Å
282	G	94.6	Very high	97.2	Very high	20 Å²	20	17.2 Å²	17.2	21%	0.206	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	3.2	178.1	0	0	0	0	0	114.5	T217 A218 G280	T217-G282 WeakPolarHBondContact CB-O 3.46Å; T217-G282 PolarHBondContact N-O 2.75Å; T217-G282 VanDerWaalsContact N-O 3.12Å; A218-G282 VanDerWaalsContact CB-C 3.5Å; A218-G282 PolarHBondContact N-O 2.95Å; G280-G282 PolarHBondContact O-N 2.69Å
283	M	96.7	Very high	97.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-35.7	-178.9	-56.7	170.3	69.6	0	0	113.2	L261 N263 L276 G278 G280 A281 S285 F286 Y287	L261-M283 HydrophobicContact CB-CE 4.49Å; L261-M283 VanDerWaalsContact O-CE 3.28Å; L261-M283 WeakPolarHBondContact O-CE 3.36Å; N263-M283 HydrophobicContact CB-CG 4.08Å; N263-M283 HydrophobicContact CB-SD 3.79Å; L276-M283 HydrophobicContact CD2-SD 4.39Å; G278-M283 PolarHBondContact N-SD 3.33Å; G278-M283 WeakPolarHBondContact O-CE 3.4Å; G280-M283 PolarHBondContact O-N 3.14Å; A281-M283 VanDerWaalsContact C-N 3.35Å; M283-S285 PolarHBondContact O-N 3.25Å; M283-F286 WeakPolarHBondContact O-CB 3.29Å; M283-F286 PolarHBondContact O-N 3.35Å; M283-Y287 HydrophobicContact CB-CE2 4.18Å; M283-Y287 WeakPolarHBondContact CE-OH 3.42Å; M283-Y287 WeakPolarHBondContact O-CD2 3.37Å
284	D	93.3	Very high	97.3	Very high	16 Å²	16	13.4 Å²	13.4	9%	0.086	8%	0.078	C	C	.	.	H	α-helix	trans	-20.4	-80.3	173.2	43.3	35.5	0	0	0	116.4	A218 G280 F286 Y287 L352	A218-D284 WeakPolarHBondContact CB-OD1 3.36Å; G280-D284 PolarHBondContact O-N 3.38Å; D284-F286 PolarHBondContact O-N 2.97Å; D284-Y287 PolarHBondContact O-N 3Å; D284-L352 VanDerWaalsContact OD2-CD2 3.26Å; D284-L352 WeakPolarHBondContact OD2-CD2 3.47Å
285	S	97.9	Very high	97.4	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.014	8%	0.081	C	C	.	.	H	α-helix	trans	-71.7	-14.3	-167.7	56.4	0	0	0	0	113.1	T222 M283 E288 Y289	T222-S285 WeakPolarHBondContact CG2-OG 3.26Å; T222-S285 VanDerWaalsContact OG1-C 3.3Å; T222-S285 PolarHBondContact OG1-OG 3.04Å; M283-S285 PolarHBondContact O-N 3.25Å; S285-E288 WeakPolarHBondContact O-CB 3.44Å; S285-E288 PolarHBondContact O-N 3.2Å; S285-Y289 WeakPolarHBondContact O-CB 3.37Å; S285-Y289 WeakPolarHBondContact O-CD2 3.41Å; S285-Y289 PolarHBondContact O-N 3.17Å
286	F	98.6	Very high	97.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-46.7	173.6	171.3	-108.6	0	0	0	111	T217 T222 N247 L250 L261 M283 D284 E288 Y289 L290 L309	T217-F286 HydrophobicContact CG2-CB 3.98Å; T217-F286 HydrophobicContact CG2-CD1 3.75Å; T217-F286 HydrophobicContact CG2-CE1 4.45Å; T217-F286 HydrophobicContact CG2-CG 3.84Å; T222-F286 PolarHBondContact OG1-N 3.05Å; N247-F286 HydrophobicContact CB-CE2 4.33Å; L250-F286 HydrophobicContact CB-CE2 4.23Å; L250-F286 HydrophobicContact CB-CZ 4.03Å; L250-F286 HydrophobicContact CD1-CD2 3.89Å; L250-F286 HydrophobicContact CD1-CE2 3.67Å; L250-F286 HydrophobicContact CD1-CZ 4.23Å; L261-F286 HydrophobicContact CD1-CD1 3.62Å; L261-F286 HydrophobicContact CD1-CE1 3.26Å; L261-F286 HydrophobicContact CD1-CZ 4.24Å; M283-F286 WeakPolarHBondContact O-CB 3.29Å; M283-F286 PolarHBondContact O-N 3.35Å; D284-F286 PolarHBondContact O-N 2.97Å; F286-E288 VanDerWaalsContact C-N 3.35Å; F286-Y289 PolarHBondContact O-N 2.81Å; F286-L290 HydrophobicContact CD1-CD1 4.43Å; F286-L290 HydrophobicContact CE1-CD1 3.73Å; F286-L290 HydrophobicContact CE1-CG 4.4Å; F286-L290 HydrophobicContact CE2-CD1 4.39Å; F286-L290 HydrophobicContact CE2-CD2 4.21Å; F286-L290 HydrophobicContact CE2-CG 4.26Å; F286-L290 HydrophobicContact CZ-CD1 3.75Å; F286-L290 HydrophobicContact CZ-CD2 4.16Å; F286-L290 HydrophobicContact CZ-CG 4.1Å; F286-L290 WeakPolarHBondContact O-CG 3.41Å; F286-L290 PolarHBondContact O-N 3.04Å; F286-L309 HydrophobicContact CE1-CD1 3.71Å; F286-L309 HydrophobicContact CZ-CD1 4.44Å
287	Y	98.4	Very high	97.5	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	6%	0.057	C	C	.	.	H	α-helix	trans	-64.4	-44.3	179	-54.4	-63.6	0	0	0	110.8	L261 G278 I279 M283 D284 Y289 L290 L291 F306 L309 I313 F356	L261-Y287 HydrophobicContact CD1-CE1 4.08Å; G278-Y287 WeakPolarHBondContact O-CE2 3.16Å; G278-Y287 PolarHBondContact O-OH 3.33Å; I279-Y287 HydrophobicContact CB-CE2 4.48Å; I279-Y287 HydrophobicContact CG2-CD2 4.18Å; I279-Y287 HydrophobicContact CG2-CE2 3.85Å; M283-Y287 HydrophobicContact CB-CE2 4.18Å; M283-Y287 WeakPolarHBondContact CE-OH 3.42Å; M283-Y287 WeakPolarHBondContact O-CD2 3.37Å; D284-Y287 PolarHBondContact O-N 3Å; Y287-Y289 VanDerWaalsContact C-N 3.31Å; Y287-Y289 PolarHBondContact O-N 3.12Å; Y287-L290 PolarHBondContact O-N 2.87Å; Y287-L291 PolarHBondContact O-N 3.17Å; Y287-F306 WeakPolarHBondContact O-CD2 3.28Å; Y287-F306 WeakPolarHBondContact O-CE2 3.4Å; Y287-L309 HydrophobicContact CD1-CB 4.28Å; Y287-L309 HydrophobicContact CD1-CD1 4.18Å; Y287-L309 HydrophobicContact CE1-CB 4.36Å; Y287-L309 HydrophobicContact CE1-CD1 4.23Å; Y287-L309 HydrophobicContact CE1-CD2 4.11Å; Y287-L309 HydrophobicContact CE1-CG 4.49Å; Y287-I313 HydrophobicContact CD1-CD1 3.83Å; Y287-I313 HydrophobicContact CD2-CD1 4.2Å; Y287-I313 HydrophobicContact CE1-CD1 3.76Å; Y287-I313 HydrophobicContact CE2-CD1 4.12Å; Y287-I313 HydrophobicContact CG-CD1 4.04Å; Y287-F356 HydrophobicContact CD2-CE2 4.29Å; Y287-F356 HydrophobicContact CG-CE2 4.49Å
288	E	98.6	Very high	97.4	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-53.6	-48.5	174	-179.9	-162.5	145.5	0	0	111.4	S285 F286 L290 L291 K292 V359 T493	S285-E288 WeakPolarHBondContact O-CB 3.44Å; S285-E288 PolarHBondContact O-N 3.2Å; F286-E288 VanDerWaalsContact C-N 3.35Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 3.39Å; E288-L291 PolarHBondContact O-N 3.26Å; E288-K292 HydrophobicContact CG-CD 3.65Å; E288-K292 VanDerWaalsContact CG-CE 3.44Å; E288-K292 HydrophobicContact CG-CG 4.08Å; E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 WeakPolarHBondContact O-CG 3.41Å; E288-K292 PolarHBondContact O-N 3.29Å; E288-K292 WeakPolarHBondContact OE1-CD 3.31Å; E288-K292 WeakPolarHBondContact OE1-CE 3.38Å; E288-K292 IonicContact OE1-NZ 3.34Å; E288-K292 PolarHBondContact OE1-NZ 3.28Å; E288-V359 HydrophobicContact CB-CG2 3.72Å; E288-V359 HydrophobicContact CG-CG2 3.95Å; E288-T493 WeakPolarHBondContact OE1-CA 3.23Å; E288-T493 PolarHBondContact OE1-N 3.41Å
289	Y	98.7	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70.2	-27.6	-174.8	-90.1	-139.6	0	0	0	113.3	T222 L225 E226 S285 F286 Y287 A293 T492 T493	T222-Y289 HydrophobicContact CG2-CD1 3.46Å; T222-Y289 VanDerWaalsContact CG2-CD1 3.46Å; T222-Y289 HydrophobicContact CG2-CD2 3.66Å; T222-Y289 HydrophobicContact CG2-CE1 3.41Å; T222-Y289 VanDerWaalsContact CG2-CE1 3.41Å; T222-Y289 HydrophobicContact CG2-CE2 3.65Å; T222-Y289 HydrophobicContact CG2-CG 3.6Å; L225-Y289 HydrophobicContact CB-CD1 4.41Å; L225-Y289 HydrophobicContact CB-CE1 3.92Å; L225-Y289 HydrophobicContact CD1-CD1 4.37Å; L225-Y289 HydrophobicContact CD1-CD2 4.14Å; L225-Y289 HydrophobicContact CD1-CE1 4.02Å; L225-Y289 HydrophobicContact CD1-CE2 3.74Å; L225-Y289 HydrophobicContact CD1-CG 4.42Å; L225-Y289 HydrophobicContact CG-CD1 3.87Å; L225-Y289 HydrophobicContact CG-CD2 4.45Å; L225-Y289 HydrophobicContact CG-CE1 3.74Å; L225-Y289 HydrophobicContact CG-CE2 4.3Å; L225-Y289 HydrophobicContact CG-CG 4.23Å; E226-Y289 PolarHBondContact OE1-OH 3.43Å; E226-Y289 WeakPolarHBondContact OE2-CE1 3.4Å; S285-Y289 WeakPolarHBondContact O-CB 3.37Å; S285-Y289 WeakPolarHBondContact O-CD2 3.41Å; S285-Y289 PolarHBondContact O-N 3.17Å; F286-Y289 PolarHBondContact O-N 2.81Å; Y287-Y289 VanDerWaalsContact C-N 3.31Å; Y287-Y289 PolarHBondContact O-N 3.12Å; Y289-A293 WeakPolarHBondContact O-CB 3.47Å; Y289-A293 PolarHBondContact O-N 3.07Å; Y289-T492 WeakPolarHBondContact OH-CB 3.23Å; Y289-T493 HydrophobicContact CE2-CG2 3.98Å; Y289-T493 PolarHBondContact OH-N 2.91Å; Y289-T493 VanDerWaalsContact OH-N 3.09Å
290	L	98.5	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-47.3	170.1	-66.8	175.3	0	0	0	111.1	N247 F286 Y287 E288 Y294 D302 M305 F306 L309	N247-L290 HydrophobicContact CB-CD2 4.4Å; F286-L290 HydrophobicContact CD1-CD1 4.43Å; F286-L290 HydrophobicContact CE1-CD1 3.73Å; F286-L290 HydrophobicContact CE1-CG 4.4Å; F286-L290 HydrophobicContact CE2-CD1 4.39Å; F286-L290 HydrophobicContact CE2-CD2 4.21Å; F286-L290 HydrophobicContact CE2-CG 4.26Å; F286-L290 HydrophobicContact CZ-CD1 3.75Å; F286-L290 HydrophobicContact CZ-CD2 4.16Å; F286-L290 HydrophobicContact CZ-CG 4.1Å; F286-L290 WeakPolarHBondContact O-CG 3.41Å; F286-L290 PolarHBondContact O-N 3.04Å; Y287-L290 PolarHBondContact O-N 2.87Å; E288-L290 VanDerWaalsContact C-N 3.34Å; E288-L290 PolarHBondContact O-N 3.39Å; L290-Y294 PolarHBondContact O-N 2.98Å; L290-D302 WeakPolarHBondContact O-CB 3.05Å; L290-M305 HydrophobicContact CD1-CB 4.2Å; L290-M305 HydrophobicContact CD2-CB 4.18Å; L290-M305 HydrophobicContact CD2-CE 3.87Å; L290-F306 HydrophobicContact CB-CB 3.83Å; L290-F306 HydrophobicContact CB-CD2 4.35Å; L290-L309 HydrophobicContact CD1-CD1 3.51Å
291	L	98.7	Very high	96.8	Very high	6 Å²	6	19.5 Å²	19.5	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-47.8	178.1	-180	59.1	0	0	0	111.7	Y287 E288 A293 Y294 I295 L303 F306 V359 L362 Y363	Y287-L291 PolarHBondContact O-N 3.17Å; E288-L291 PolarHBondContact O-N 3.26Å; L291-A293 VanDerWaalsContact C-N 3.33Å; L291-A293 PolarHBondContact O-N 2.83Å; L291-Y294 WeakPolarHBondContact O-CB 3.4Å; L291-Y294 PolarHBondContact O-N 2.89Å; L291-I295 HydrophobicContact CD1-CD1 4.24Å; L291-I295 HydrophobicContact CG-CD1 4.11Å; L291-I295 WeakPolarHBondContact O-CG1 3.09Å; L291-I295 PolarHBondContact O-N 2.84Å; L291-I295 VanDerWaalsContact O-N 3.11Å; L291-L303 HydrophobicContact CD1-CD1 4.21Å; L291-F306 HydrophobicContact CB-CD1 4.25Å; L291-F306 HydrophobicContact CB-CD2 3.76Å; L291-F306 HydrophobicContact CB-CE1 4.43Å; L291-F306 HydrophobicContact CB-CE2 3.92Å; L291-F306 HydrophobicContact CB-CG 3.91Å; L291-F306 HydrophobicContact CB-CZ 4.26Å; L291-F306 HydrophobicContact CD1-CD1 4.21Å; L291-F306 HydrophobicContact CD1-CE1 4.39Å; L291-F306 HydrophobicContact CD2-CE1 4.11Å; L291-F306 HydrophobicContact CD2-CE2 4.32Å; L291-F306 HydrophobicContact CD2-CZ 3.92Å; L291-V359 HydrophobicContact CD2-CG1 4.31Å; L291-L362 HydrophobicContact CD2-CB 4.07Å; L291-L362 HydrophobicContact CD2-CD2 3.96Å; L291-L362 HydrophobicContact CD2-CG 3.88Å; L291-L362 HydrophobicContact CG-CD2 4.16Å; L291-L362 HydrophobicContact CG-CG 4.34Å; L291-Y363 HydrophobicContact CD1-CD2 4.23Å; L291-Y363 HydrophobicContact CD2-CD2 4.39Å
292	K	98.7	Very high	96.8	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-63.5	-37.6	-179.7	-68.3	-169.6	175.7	177.9	0	111.7	L225 E288 I295 L296 L362 I490 F491 T492	L225-K292 HydrophobicContact CD1-CB 3.88Å; L225-K292 HydrophobicContact CD1-CD 4.09Å; L225-K292 HydrophobicContact CD2-CB 3.99Å; L225-K292 HydrophobicContact CG-CB 4.45Å; E288-K292 HydrophobicContact CG-CD 3.65Å; E288-K292 VanDerWaalsContact CG-CE 3.44Å; E288-K292 HydrophobicContact CG-CG 4.08Å; E288-K292 WeakPolarHBondContact O-CB 3.47Å; E288-K292 WeakPolarHBondContact O-CG 3.41Å; E288-K292 PolarHBondContact O-N 3.29Å; E288-K292 WeakPolarHBondContact OE1-CD 3.31Å; E288-K292 WeakPolarHBondContact OE1-CE 3.38Å; E288-K292 IonicContact OE1-NZ 3.34Å; E288-K292 PolarHBondContact OE1-NZ 3.28Å; K292-I295 PolarHBondContact O-N 3.28Å; K292-L296 WeakPolarHBondContact O-CB 3.24Å; K292-L296 PolarHBondContact O-N 2.85Å; K292-L362 HydrophobicContact CG-CD2 3.77Å; K292-I490 HydrophobicContact CB-CG1 4.18Å; K292-I490 HydrophobicContact CD-CD1 4.23Å; K292-I490 HydrophobicContact CD-CG1 4Å; K292-I490 HydrophobicContact CG-CD1 4Å; K292-I490 HydrophobicContact CG-CG1 3.97Å; K292-F491 VanDerWaalsContact CD-O 3.23Å; K292-F491 WeakPolarHBondContact CD-O 3.23Å; K292-F491 VanDerWaalsContact CE-O 3.27Å; K292-F491 WeakPolarHBondContact CE-O 3.27Å; K292-F491 PolarHBondContact NZ-O 3.47Å; K292-T492 PolarHBondContact NZ-O 2.95Å
293	A	98.3	Very high	96.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-39.2	176.3	0	0	0	0	0	112.3	M224 L225 Y289 L291 L296 F297 D302	M224-A293 HydrophobicContact CB-CB 4.4Å; M224-A293 HydrophobicContact CG-CB 3.58Å; L225-A293 HydrophobicContact CD2-CB 4.3Å; Y289-A293 WeakPolarHBondContact O-CB 3.47Å; Y289-A293 PolarHBondContact O-N 3.07Å; L291-A293 VanDerWaalsContact C-N 3.33Å; L291-A293 PolarHBondContact O-N 2.83Å; A293-L296 PolarHBondContact O-N 3.28Å; A293-F297 HydrophobicContact CB-CD2 4.16Å; A293-F297 WeakPolarHBondContact O-CB 3.36Å; A293-F297 WeakPolarHBondContact O-CD2 3.41Å; A293-F297 PolarHBondContact O-N 3.2Å; A293-D302 HydrophobicContact CB-CB 4.39Å
294	Y	97.5	Very high	96.9	Very high	67 Å²	67	24.4 Å²	24.4	26%	0.263	12%	0.123	S	C	.	.	H	α-helix	trans	-60.2	-47	171.7	166.7	-110.7	0	0	0	111.5	L290 L291 L296 G298 N299 K300 L303	L290-Y294 PolarHBondContact O-N 2.98Å; L291-Y294 WeakPolarHBondContact O-CB 3.4Å; L291-Y294 PolarHBondContact O-N 2.89Å; Y294-L296 VanDerWaalsContact C-N 3.34Å; Y294-L296 PolarHBondContact O-N 3.25Å; Y294-G298 WeakPolarHBondContact O-CA 3.34Å; Y294-G298 PolarHBondContact O-N 3.14Å; Y294-N299 WeakPolarHBondContact CD2-O 3.21Å; Y294-K300 HydrophobicContact CE2-CG 4.47Å; Y294-L303 HydrophobicContact CD1-CB 3.93Å; Y294-L303 HydrophobicContact CD1-CD1 4.12Å; Y294-L303 HydrophobicContact CD1-CD2 4.12Å; Y294-L303 HydrophobicContact CD1-CG 4.28Å; Y294-L303 HydrophobicContact CD2-CB 3.76Å; Y294-L303 HydrophobicContact CE1-CB 4.32Å; Y294-L303 HydrophobicContact CE1-CD1 4.39Å; Y294-L303 HydrophobicContact CE1-CD2 3.71Å; Y294-L303 HydrophobicContact CE1-CG 4.36Å; Y294-L303 HydrophobicContact CE2-CB 4.17Å; Y294-L303 HydrophobicContact CE2-CD2 4.17Å; Y294-L303 HydrophobicContact CG-CB 3.62Å; Y294-L303 HydrophobicContact CG-CG 4.46Å
295	I	97.8	Very high	97	Very high	35 Å²	35	23.7 Å²	23.7	18%	0.179	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-42.1	-179.2	-66.8	167.7	0	0	0	110.9	L291 K292 L362 L500 R505	L291-I295 HydrophobicContact CD1-CD1 4.24Å; L291-I295 HydrophobicContact CG-CD1 4.11Å; L291-I295 WeakPolarHBondContact O-CG1 3.09Å; L291-I295 PolarHBondContact O-N 2.84Å; L291-I295 VanDerWaalsContact O-N 3.11Å; K292-I295 PolarHBondContact O-N 3.28Å; I295-L362 HydrophobicContact CD1-CD1 3.7Å; I295-L362 HydrophobicContact CD1-CD2 3.81Å; I295-L362 HydrophobicContact CD1-CG 3.7Å; I295-L500 HydrophobicContact CG2-CD1 4.14Å; I295-L500 HydrophobicContact CG2-CD2 4.23Å; I295-R505 PolarHBondContact O-NH2 2.98Å
296	L	98.2	Very high	97.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-74.8	-51.1	-177.2	-173.3	56.5	0	0	0	112.5	L225 V229 K292 A293 Y294 I490 L498 L500 F504 R505	L225-L296 HydrophobicContact CD2-CB 4.44Å; L225-L296 HydrophobicContact CD2-CD2 3.93Å; V229-L296 HydrophobicContact CG2-CD2 3.73Å; K292-L296 WeakPolarHBondContact O-CB 3.24Å; K292-L296 PolarHBondContact O-N 2.85Å; A293-L296 PolarHBondContact O-N 3.28Å; Y294-L296 VanDerWaalsContact C-N 3.34Å; Y294-L296 PolarHBondContact O-N 3.25Å; L296-I490 HydrophobicContact CB-CG2 4.48Å; L296-I490 HydrophobicContact CD1-CG2 4.15Å; L296-I490 HydrophobicContact CD2-CG2 4.43Å; L296-L498 HydrophobicContact CD2-CD1 4.03Å; L296-L500 HydrophobicContact CD1-CD2 3.68Å; L296-F504 HydrophobicContact CD1-CB 4.4Å; L296-F504 HydrophobicContact CD1-CD2 3.79Å; L296-F504 HydrophobicContact CD1-CG 4.38Å; L296-R505 WeakPolarHBondContact O-CG 3.37Å
297	F	97.3	Very high	97	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.035	13%	0.128	C	C	.	.	H	α-helix	trans	-100.6	-14.5	-170.5	-54.7	-65.3	0	0	0	114.3	M224 L225 G228 V229 R232 A293 N299 F504	M224-F297 HydrophobicContact CE-CD2 3.65Å; M224-F297 HydrophobicContact CE-CE2 3.64Å; M224-F297 HydrophobicContact CE-CG 4.44Å; M224-F297 HydrophobicContact CE-CZ 4.43Å; M224-F297 HydrophobicContact CG-CE2 4.39Å; M224-F297 WeakPolarHBondContact O-CE2 3.29Å; L225-F297 HydrophobicContact CD2-CE2 4.26Å; G228-F297 VanDerWaalsContact CA-CZ 3.49Å; V229-F297 HydrophobicContact CG2-CE1 4.36Å; V229-F297 HydrophobicContact CG2-CZ 4.19Å; R232-F297 HydrophobicContact CG-CE1 4.5Å; A293-F297 HydrophobicContact CB-CD2 4.16Å; A293-F297 WeakPolarHBondContact O-CB 3.36Å; A293-F297 WeakPolarHBondContact O-CD2 3.41Å; A293-F297 PolarHBondContact O-N 3.2Å; F297-N299 VanDerWaalsContact C-N 3.35Å; F297-N299 PolarHBondContact O-N 2.99Å; F297-F504 HydrophobicContact CD1-CB 4.02Å; F297-F504 WeakPolarHBondContact CD1-O 3.41Å; F297-F504 HydrophobicContact CE1-CB 4.19Å
298	G	95.1	Very high	97	Very high	33 Å²	33	26.7 Å²	26.7	34%	0.34	14%	0.14	S	C	.	.			trans	76.2	13.3	177.3	0	0	0	0	0	115.5	Y294 K300	Y294-G298 WeakPolarHBondContact O-CA 3.34Å; Y294-G298 PolarHBondContact O-N 3.14Å; G298-K300 PolarHBondContact O-N 2.76Å
299	N	94.4	Very high	96.9	Very high	16 Å²	16	26.6 Å²	26.6	9%	0.086	14%	0.14	C	C	.	.			trans	-81.8	111.5	-179.4	-172.8	-2	0	0	0	111.2	Y294 F297 A301 D302 R509	Y294-N299 WeakPolarHBondContact CD2-O 3.21Å; F297-N299 VanDerWaalsContact C-N 3.35Å; F297-N299 PolarHBondContact O-N 2.99Å; N299-A301 PolarHBondContact O-N 3.4Å; N299-A301 VanDerWaalsContact O-N 3.16Å; N299-A301 PolarHBondContact OD1-N 2.92Å; N299-D302 PolarHBondContact O-N 2.69Å; N299-R509 VanDerWaalsContact CB-NH2 3.29Å; N299-R509 WeakPolarHBondContact ND2-CB 3.39Å
300	K	93.2	Very high	96.9	Very high	147 Å²	147	27.1 Å²	27.1	64%	0.639	14%	0.142	S	C	*	.	H	α-helix	trans	-58.4	-28.8	-177.3	-67.2	-174.6	177.2	-175.3	0	114.2	Y294 G298 D302 L303 E304	Y294-K300 HydrophobicContact CE2-CG 4.47Å; G298-K300 PolarHBondContact O-N 2.76Å; K300-D302 PolarHBondContact O-N 2.86Å; K300-L303 PolarHBondContact O-N 3.28Å; K300-E304 WeakPolarHBondContact O-CG 3.49Å; K300-E304 PolarHBondContact O-N 2.91Å
301	A	92.8	Very high	96.9	Very high	12 Å²	12	33.1 Å²	33.1	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-37.4	176.7	0	0	0	0	0	111.7	N299 E304 M305 V516	N299-A301 PolarHBondContact O-N 3.4Å; N299-A301 VanDerWaalsContact O-N 3.16Å; N299-A301 PolarHBondContact OD1-N 2.92Å; A301-E304 PolarHBondContact O-N 2.83Å; A301-M305 WeakPolarHBondContact O-CB 3.37Å; A301-M305 WeakPolarHBondContact O-CG 3.28Å; A301-M305 PolarHBondContact O-N 2.97Å; A301-V516 HydrophobicContact CB-CG2 3.86Å
302	D	96.1	Very high	96.8	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-38.8	-180	-58.1	-32.6	0	0	0	111.1	L290 A293 N299 K300 M305 F306 R509	L290-D302 WeakPolarHBondContact O-CB 3.05Å; A293-D302 HydrophobicContact CB-CB 4.39Å; N299-D302 PolarHBondContact O-N 2.69Å; K300-D302 PolarHBondContact O-N 2.86Å; D302-M305 PolarHBondContact O-N 3.07Å; D302-M305 WeakPolarHBondContact OD1-CE 3.48Å; D302-F306 WeakPolarHBondContact O-CB 3.22Å; D302-F306 PolarHBondContact O-N 3.44Å; D302-R509 IonicContact OD1-NH1 3.44Å; D302-R509 IonicContact OD2-CZ 3.27Å; D302-R509 IonicContact OD2-NH1 2.89Å; D302-R509 PolarHBondContact OD2-NH1 3.29Å; D302-R509 VanDerWaalsContact OD2-NH1 3.12Å; D302-R509 IonicContact OD2-NH2 3.09Å; D302-R509 PolarHBondContact OD2-NH2 2.74Å
303	L	96.5	Very high	96.8	Very high	42 Å²	42	33.3 Å²	33.3	22%	0.22	17%	0.172	C	C	.	.	H	α-helix	trans	-67.9	-44.7	174.4	-180	63.4	0	0	0	112.1	L291 Y294 K300 M305 F306 S307 Y363	L291-L303 HydrophobicContact CD1-CD1 4.21Å; Y294-L303 HydrophobicContact CD1-CB 3.93Å; Y294-L303 HydrophobicContact CD1-CD1 4.12Å; Y294-L303 HydrophobicContact CD1-CD2 4.12Å; Y294-L303 HydrophobicContact CD1-CG 4.28Å; Y294-L303 HydrophobicContact CD2-CB 3.76Å; Y294-L303 HydrophobicContact CE1-CB 4.32Å; Y294-L303 HydrophobicContact CE1-CD1 4.39Å; Y294-L303 HydrophobicContact CE1-CD2 3.71Å; Y294-L303 HydrophobicContact CE1-CG 4.36Å; Y294-L303 HydrophobicContact CE2-CB 4.17Å; Y294-L303 HydrophobicContact CE2-CD2 4.17Å; Y294-L303 HydrophobicContact CG-CB 3.62Å; Y294-L303 HydrophobicContact CG-CG 4.46Å; K300-L303 PolarHBondContact O-N 3.28Å; L303-M305 PolarHBondContact O-N 2.81Å; L303-F306 PolarHBondContact O-N 3.06Å; L303-S307 WeakPolarHBondContact O-CB 3.47Å; L303-S307 PolarHBondContact O-N 2.94Å; L303-S307 PolarHBondContact O-OG 3.32Å; L303-Y363 HydrophobicContact CD1-CE2 4.47Å
304	E	96	Very high	96.7	Very high	118 Å²	118	35.8 Å²	35.8	55%	0.551	18%	0.183	S	C	*	.	H	α-helix	trans	-57.8	-41.4	176.5	-72.4	167.9	-171.1	0	0	110.7	K300 A301 S308	K300-E304 WeakPolarHBondContact O-CG 3.49Å; K300-E304 PolarHBondContact O-N 2.91Å; A301-E304 PolarHBondContact O-N 2.83Å; E304-S308 WeakPolarHBondContact O-CB 3.32Å; E304-S308 PolarHBondContact O-N 3.18Å; E304-S308 VanDerWaalsContact O-N 3.15Å
305	M	96.6	Very high	96.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-47.1	176.5	-71.9	-167.6	-69.1	0	0	112	Y251 L290 A301 D302 L303 L309 V516	Y251-M305 VanDerWaalsContact CB-SD 3.59Å; Y251-M305 HydrophobicContact CD1-CG 3.98Å; Y251-M305 HydrophobicContact CD1-SD 4.05Å; Y251-M305 HydrophobicContact CD2-CB 3.32Å; Y251-M305 HydrophobicContact CD2-CG 3.18Å; Y251-M305 HydrophobicContact CD2-SD 3.57Å; Y251-M305 VanDerWaalsContact CD2-SD 3.57Å; Y251-M305 HydrophobicContact CE1-CG 4.08Å; Y251-M305 HydrophobicContact CE2-CB 3.4Å; Y251-M305 HydrophobicContact CE2-CG 3.39Å; Y251-M305 WeakPolarHBondContact CE2-O 3.46Å; Y251-M305 HydrophobicContact CE2-SD 4.38Å; Y251-M305 HydrophobicContact CG-CB 4.19Å; Y251-M305 HydrophobicContact CG-CG 3.54Å; Y251-M305 HydrophobicContact CG-SD 3.42Å; L290-M305 HydrophobicContact CD1-CB 4.2Å; L290-M305 HydrophobicContact CD2-CB 4.18Å; L290-M305 HydrophobicContact CD2-CE 3.87Å; A301-M305 WeakPolarHBondContact O-CB 3.37Å; A301-M305 WeakPolarHBondContact O-CG 3.28Å; A301-M305 PolarHBondContact O-N 2.97Å; D302-M305 PolarHBondContact O-N 3.07Å; D302-M305 WeakPolarHBondContact OD1-CE 3.48Å; L303-M305 PolarHBondContact O-N 2.81Å; M305-L309 PolarHBondContact O-N 3.18Å; M305-V516 HydrophobicContact CG-CG1 4.21Å; M305-V516 HydrophobicContact CG-CG2 4.44Å; M305-V516 HydrophobicContact SD-CG1 4.41Å; M305-V516 HydrophobicContact SD-CG2 4.46Å
306	F	98.3	Very high	96.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-53.4	176.8	175.7	-97	0	0	0	112	Y287 L290 L291 D302 L303 S308 L309 Y310 V359 Y363	Y287-F306 WeakPolarHBondContact O-CD2 3.28Å; Y287-F306 WeakPolarHBondContact O-CE2 3.4Å; L290-F306 HydrophobicContact CB-CB 3.83Å; L290-F306 HydrophobicContact CB-CD2 4.35Å; L291-F306 HydrophobicContact CB-CD1 4.25Å; L291-F306 HydrophobicContact CB-CD2 3.76Å; L291-F306 HydrophobicContact CB-CE1 4.43Å; L291-F306 HydrophobicContact CB-CE2 3.92Å; L291-F306 HydrophobicContact CB-CG 3.91Å; L291-F306 HydrophobicContact CB-CZ 4.26Å; L291-F306 HydrophobicContact CD1-CD1 4.21Å; L291-F306 HydrophobicContact CD1-CE1 4.39Å; L291-F306 HydrophobicContact CD2-CE1 4.11Å; L291-F306 HydrophobicContact CD2-CE2 4.32Å; L291-F306 HydrophobicContact CD2-CZ 3.92Å; D302-F306 WeakPolarHBondContact O-CB 3.22Å; D302-F306 PolarHBondContact O-N 3.44Å; L303-F306 PolarHBondContact O-N 3.06Å; F306-S308 VanDerWaalsContact C-N 3.32Å; F306-S308 PolarHBondContact O-N 3.11Å; F306-L309 PolarHBondContact O-N 3.34Å; F306-L309 VanDerWaalsContact O-N 3.12Å; F306-Y310 HydrophobicContact CE1-CD2 4.15Å; F306-Y310 HydrophobicContact CE1-CG 4.21Å; F306-Y310 HydrophobicContact CE2-CD2 4.41Å; F306-Y310 AromaticContact CZ-CD2 3.7Å; F306-Y310 HydrophobicContact CZ-CD2 3.7Å; F306-Y310 HydrophobicContact CZ-CE2 4.42Å; F306-Y310 HydrophobicContact CZ-CG 4.2Å; F306-Y310 WeakPolarHBondContact O-CB 3.32Å; F306-Y310 PolarHBondContact O-N 3.23Å; F306-V359 HydrophobicContact CE2-CG1 3.79Å; F306-V359 HydrophobicContact CZ-CG1 3.93Å; F306-Y363 HydrophobicContact CD1-CD2 4.01Å; F306-Y363 AromaticContact CD1-CE2 3.91Å; F306-Y363 HydrophobicContact CD1-CE2 3.91Å; F306-Y363 AromaticContact CE1-CD1 3.91Å; F306-Y363 HydrophobicContact CE1-CD1 3.91Å; F306-Y363 AromaticContact CE1-CD2 3.37Å; F306-Y363 HydrophobicContact CE1-CD2 3.37Å; F306-Y363 HydrophobicContact CE1-CE1 4.1Å; F306-Y363 AromaticContact CE1-CE2 3.59Å; F306-Y363 HydrophobicContact CE1-CE2 3.59Å; F306-Y363 AromaticContact CE1-CG 3.54Å; F306-Y363 HydrophobicContact CE1-CG 3.54Å; F306-Y363 AromaticContact CE1-CZ 3.94Å; F306-Y363 HydrophobicContact CZ-CD1 4.48Å; F306-Y363 HydrophobicContact CZ-CD2 4.32Å; F306-Y363 HydrophobicContact CZ-CG 4.13Å
307	S	97.9	Very high	96.7	Very high	25 Å²	25	38.3 Å²	38.3	18%	0.175	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-41.8	-175.7	-68.5	0	0	0	0	111.7	L303 L309 Y310 E311 Y363	L303-S307 WeakPolarHBondContact O-CB 3.47Å; L303-S307 PolarHBondContact O-N 2.94Å; L303-S307 PolarHBondContact O-OG 3.32Å; S307-L309 PolarHBondContact O-N 3.36Å; S307-Y310 PolarHBondContact O-N 3.46Å; S307-E311 WeakPolarHBondContact O-CG 3.44Å; S307-E311 PolarHBondContact O-N 2.72Å; S307-Y363 PolarHBondContact OG-OH 3.12Å; S307-Y363 VanDerWaalsContact OG-OH 3.14Å
308	S	96.8	Very high	96.7	Very high	39 Å²	39	39.2 Å²	39.2	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-43.3	175.5	178	0	0	0	0	112.3	Y251 E304 F306 S312	Y251-S308 WeakPolarHBondContact OH-CB 3.27Å; E304-S308 WeakPolarHBondContact O-CB 3.32Å; E304-S308 PolarHBondContact O-N 3.18Å; E304-S308 VanDerWaalsContact O-N 3.15Å; F306-S308 VanDerWaalsContact C-N 3.32Å; F306-S308 PolarHBondContact O-N 3.11Å; S308-S312 PolarHBondContact O-N 2.85Å; S308-S312 PolarHBondContact O-OG 2.82Å
309	L	97.9	Very high	96.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-40.2	177.1	-83.8	167.1	0	0	0	112.3	Y251 R254 L261 F286 Y287 L290 M305 F306 S307 E311 S312 I313	Y251-L309 HydrophobicContact CD2-CD1 4.3Å; R254-L309 HydrophobicContact CG-CD2 4.34Å; L261-L309 HydrophobicContact CD1-CD1 4.14Å; L261-L309 HydrophobicContact CD1-CD2 3.95Å; L261-L309 HydrophobicContact CG-CD2 4.14Å; F286-L309 HydrophobicContact CE1-CD1 3.71Å; F286-L309 HydrophobicContact CZ-CD1 4.44Å; Y287-L309 HydrophobicContact CD1-CB 4.28Å; Y287-L309 HydrophobicContact CD1-CD1 4.18Å; Y287-L309 HydrophobicContact CE1-CB 4.36Å; Y287-L309 HydrophobicContact CE1-CD1 4.23Å; Y287-L309 HydrophobicContact CE1-CD2 4.11Å; Y287-L309 HydrophobicContact CE1-CG 4.49Å; L290-L309 HydrophobicContact CD1-CD1 3.51Å; M305-L309 PolarHBondContact O-N 3.18Å; F306-L309 PolarHBondContact O-N 3.34Å; F306-L309 VanDerWaalsContact O-N 3.12Å; S307-L309 PolarHBondContact O-N 3.36Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E311 PolarHBondContact O-N 2.87Å; L309-S312 WeakPolarHBondContact O-CB 3.33Å; L309-S312 PolarHBondContact O-N 3.22Å; L309-I313 VanDerWaalsContact O-CG1 3.32Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.41Å
310	Y	98.4	Very high	96.7	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-41.6	177.9	-167.8	-94.4	0	0	0	111.3	F306 S307 S312 I313 K314 F356 Q360 Y363 D365	F306-Y310 HydrophobicContact CE1-CD2 4.15Å; F306-Y310 HydrophobicContact CE1-CG 4.21Å; F306-Y310 HydrophobicContact CE2-CD2 4.41Å; F306-Y310 AromaticContact CZ-CD2 3.7Å; F306-Y310 HydrophobicContact CZ-CD2 3.7Å; F306-Y310 HydrophobicContact CZ-CE2 4.42Å; F306-Y310 HydrophobicContact CZ-CG 4.2Å; F306-Y310 WeakPolarHBondContact O-CB 3.32Å; F306-Y310 PolarHBondContact O-N 3.23Å; S307-Y310 PolarHBondContact O-N 3.46Å; Y310-S312 PolarHBondContact O-N 2.94Å; Y310-I313 WeakPolarHBondContact O-CB 3.46Å; Y310-I313 PolarHBondContact O-N 2.92Å; Y310-K314 HydrophobicContact CD1-CG 3.92Å; Y310-K314 HydrophobicContact CE1-CD 3.9Å; Y310-K314 HydrophobicContact CE1-CG 3.63Å; Y310-K314 WeakPolarHBondContact O-CB 3.19Å; Y310-K314 VanDerWaalsContact O-CG 3.22Å; Y310-K314 WeakPolarHBondContact O-CG 3.43Å; Y310-K314 PolarHBondContact O-N 3.4Å; Y310-F356 HydrophobicContact CD2-CZ 4.09Å; Y310-F356 HydrophobicContact CE2-CE1 4.05Å; Y310-F356 AromaticContact CE2-CZ 3.92Å; Y310-F356 HydrophobicContact CE2-CZ 3.92Å; Y310-Q360 HydrophobicContact CE2-CG 4.17Å; Y310-Y363 HydrophobicContact CD1-CD1 4.09Å; Y310-Y363 AromaticContact CD1-CE1 3.65Å; Y310-Y363 HydrophobicContact CD1-CE1 3.65Å; Y310-Y363 AromaticContact CE1-CD1 3.94Å; Y310-Y363 HydrophobicContact CE1-CD1 3.94Å; Y310-Y363 AromaticContact CE1-CE1 3.83Å; Y310-Y363 HydrophobicContact CE1-CE1 3.83Å; Y310-Y363 HydrophobicContact CE2-CD1 4.39Å; Y310-Y363 HydrophobicContact CG-CD1 4.38Å; Y310-Y363 HydrophobicContact CG-CE1 4.14Å; Y310-D365 WeakPolarHBondContact OH-CB 3.32Å; Y310-D365 PolarHBondContact OH-OD2 2.71Å
311	E	97.5	Very high	96.7	Very high	125 Å²	125	36.7 Å²	36.7	58%	0.584	20%	0.197	S	C	*	.	H	α-helix	trans	-59.9	-43.3	173	-74.3	178.8	178.3	0	0	112.5	S307 L309 K314 S315	S307-E311 WeakPolarHBondContact O-CG 3.44Å; S307-E311 PolarHBondContact O-N 2.72Å; L309-E311 VanDerWaalsContact C-N 3.33Å; L309-E311 PolarHBondContact O-N 2.87Å; E311-K314 PolarHBondContact O-N 3.17Å; E311-S315 WeakPolarHBondContact O-CB 3.47Å; E311-S315 PolarHBondContact O-N 3.42Å; E311-S315 PolarHBondContact O-OG 3.42Å
312	S	98	Very high	96.6	Very high	15 Å²	15	44.8 Å²	44.8	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-45.2	174.4	-57.8	0	0	0	0	111.7	T258 G259 S308 L309 Y310 K314 S315 Y316	T258-S312 WeakPolarHBondContact O-CB 3.27Å; T258-S312 PolarHBondContact O-OG 2.76Å; G259-S312 VanDerWaalsContact O-CB 3.32Å; G259-S312 WeakPolarHBondContact O-CB 3.19Å; G259-S312 PolarHBondContact O-OG 2.87Å; S308-S312 PolarHBondContact O-N 2.85Å; S308-S312 PolarHBondContact O-OG 2.82Å; L309-S312 WeakPolarHBondContact O-CB 3.33Å; L309-S312 PolarHBondContact O-N 3.22Å; Y310-S312 PolarHBondContact O-N 2.94Å; S312-K314 VanDerWaalsContact C-N 3.34Å; S312-K314 PolarHBondContact O-N 3.24Å; S312-S315 PolarHBondContact O-N 2.9Å; S312-S315 VanDerWaalsContact O-N 3.15Å; S312-Y316 WeakPolarHBondContact O-CD2 3.33Å; S312-Y316 PolarHBondContact O-N 3.32Å
313	I	98.2	Very high	96.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.238	C	C	.	.	I	π-helix	trans	-56.2	-48.7	176.4	-74.9	164.7	0	0	0	110.4	I279 Y287 L309 Y310 S315 L317 R318 Y334 F356	I279-I313 HydrophobicContact CG2-CD1 3.79Å; I279-I313 HydrophobicContact CG2-CG1 4.05Å; I279-I313 HydrophobicContact CG2-CG2 4.01Å; Y287-I313 HydrophobicContact CD1-CD1 3.83Å; Y287-I313 HydrophobicContact CD2-CD1 4.2Å; Y287-I313 HydrophobicContact CE1-CD1 3.76Å; Y287-I313 HydrophobicContact CE2-CD1 4.12Å; Y287-I313 HydrophobicContact CG-CD1 4.04Å; L309-I313 VanDerWaalsContact O-CG1 3.32Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.41Å; Y310-I313 WeakPolarHBondContact O-CB 3.46Å; Y310-I313 PolarHBondContact O-N 2.92Å; I313-S315 VanDerWaalsContact C-N 3.3Å; I313-S315 PolarHBondContact O-N 3.3Å; I313-L317 HydrophobicContact CB-CD1 4.26Å; I313-L317 HydrophobicContact CG1-CD1 3.94Å; I313-L317 HydrophobicContact CG2-CD1 4.09Å; I313-L317 WeakPolarHBondContact O-CA 3.09Å; I313-L317 VanDerWaalsContact O-CB 3.27Å; I313-L317 WeakPolarHBondContact O-CB 3.41Å; I313-L317 PolarHBondContact O-N 2.61Å; I313-R318 PolarHBondContact O-N 3.17Å; I313-Y334 HydrophobicContact CG2-CD1 3.81Å; I313-Y334 HydrophobicContact CG2-CE1 3.65Å; I313-F356 HydrophobicContact CD1-CE2 4.34Å; I313-F356 HydrophobicContact CD1-CZ 4.05Å; I313-F356 HydrophobicContact CG2-CE1 4.3Å; I313-F356 HydrophobicContact CG2-CZ 4.1Å
314	K	97.2	Very high	96	Very high	53 Å²	53	44.6 Å²	44.6	23%	0.23	23%	0.228	C	C	.	.	I	π-helix	trans	-64.4	-34.2	178.5	-68	-70.7	-65.1	-152.6	0	112.8	Y310 E311 S312 R318 Y334 D365 E368	Y310-K314 HydrophobicContact CD1-CG 3.92Å; Y310-K314 HydrophobicContact CE1-CD 3.9Å; Y310-K314 HydrophobicContact CE1-CG 3.63Å; Y310-K314 WeakPolarHBondContact O-CB 3.19Å; Y310-K314 VanDerWaalsContact O-CG 3.22Å; Y310-K314 WeakPolarHBondContact O-CG 3.43Å; Y310-K314 PolarHBondContact O-N 3.4Å; E311-K314 PolarHBondContact O-N 3.17Å; S312-K314 VanDerWaalsContact C-N 3.34Å; S312-K314 PolarHBondContact O-N 3.24Å; K314-R318 WeakPolarHBondContact O-CB 3.25Å; K314-Y334 HydrophobicContact CD-CE1 4.24Å; K314-Y334 VanDerWaalsContact CD-OH 3.24Å; K314-Y334 WeakPolarHBondContact CD-OH 3.16Å; K314-D365 IonicContact NZ-OD2 3.13Å; K314-D365 PolarHBondContact NZ-OD2 3.24Å; K314-E368 IonicContact NZ-OE1 3.97Å; K314-E368 IonicContact NZ-OE2 2.76Å; K314-E368 PolarHBondContact NZ-OE2 3.1Å
315	S	96.7	Very high	95.5	Very high	82 Å²	82	40.8 Å²	40.8	57%	0.573	21%	0.212	S	C	*	.	I	π-helix	trans	-77.9	-39.6	-177.3	-60.6	0	0	0	0	112.7	E311 S312 I313	E311-S315 WeakPolarHBondContact O-CB 3.47Å; E311-S315 PolarHBondContact O-N 3.42Å; E311-S315 PolarHBondContact O-OG 3.42Å; S312-S315 PolarHBondContact O-N 2.9Å; S312-S315 VanDerWaalsContact O-N 3.15Å; I313-S315 VanDerWaalsContact C-N 3.3Å; I313-S315 PolarHBondContact O-N 3.3Å
316	Y	97.8	Very high	95	Very high	73 Å²	73	43.1 Å²	43.1	29%	0.286	23%	0.228	S	C	.	.	I	π-helix	trans	-106.3	-40.5	-171	-69.6	-79.7	0	0	0	113.8	T257 T258 L260 S312 K319	T257-Y316 PolarHBondContact O-OH 2.98Å; T258-Y316 HydrophobicContact CG2-CD1 4.21Å; T258-Y316 HydrophobicContact CG2-CE1 3.88Å; T258-Y316 HydrophobicContact CG2-CE2 4.47Å; T258-Y316 WeakPolarHBondContact O-CD2 3.43Å; T258-Y316 WeakPolarHBondContact O-CE2 3.23Å; L260-Y316 HydrophobicContact CD1-CG 4.22Å; S312-Y316 WeakPolarHBondContact O-CD2 3.33Å; S312-Y316 PolarHBondContact O-N 3.32Å; Y316-K319 WeakPolarHBondContact O-CE 3.43Å; Y316-K319 PolarHBondContact O-NZ 3.47Å
317	L	98.2	Very high	94.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-88.2	-38.3	-173.9	-49.4	-173	0	0	0	112.1	L260 I279 I313 K319 Y334 V335 V337	L260-L317 HydrophobicContact CD1-CD2 4.11Å; L260-L317 HydrophobicContact CD2-CD2 4.47Å; L260-L317 HydrophobicContact CD2-CG 4.43Å; I279-L317 HydrophobicContact CG2-CD1 3.87Å; I313-L317 HydrophobicContact CB-CD1 4.26Å; I313-L317 HydrophobicContact CG1-CD1 3.94Å; I313-L317 HydrophobicContact CG2-CD1 4.09Å; I313-L317 WeakPolarHBondContact O-CA 3.09Å; I313-L317 VanDerWaalsContact O-CB 3.27Å; I313-L317 WeakPolarHBondContact O-CB 3.41Å; I313-L317 PolarHBondContact O-N 2.61Å; L317-K319 PolarHBondContact O-N 2.91Å; L317-Y334 HydrophobicContact CB-CD1 4.09Å; L317-Y334 WeakPolarHBondContact O-CA 3.37Å; L317-V335 WeakPolarHBondContact O-CG2 3.43Å; L317-V335 PolarHBondContact O-N 3.37Å; L317-V337 HydrophobicContact CD2-CB 4.14Å; L317-V337 HydrophobicContact CD2-CG1 3.88Å; L317-V337 HydrophobicContact CD2-CG2 3.26Å
318	R	97.3	Very high	93.9	Very high	28 Å²	28	49.7 Å²	49.7	11%	0.106	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.6	-177.4	-168.3	-170	176.4	-79.8	5.2	111.5	I313 K314 R321 Y322 Y334 E368	I313-R318 PolarHBondContact O-N 3.17Å; K314-R318 WeakPolarHBondContact O-CB 3.25Å; R318-R321 PolarHBondContact NH1-O 3.05Å; R318-R321 PolarHBondContact NH2-O 3.25Å; R318-Y322 PolarHBondContact NH1-O 3.48Å; R318-Y322 PolarHBondContact NH2-O 3.34Å; R318-Y334 HydrophobicContact CB-CD1 4.03Å; R318-Y334 HydrophobicContact CB-CE1 3.69Å; R318-Y334 HydrophobicContact CG-CE1 4.08Å; R318-Y334 HydrophobicContact CG-CE2 4.31Å; R318-E368 VanDerWaalsContact CD-OE2 3.31Å; R318-E368 WeakPolarHBondContact CD-OE2 3.34Å; R318-E368 IonicContact CZ-OE1 3.17Å; R318-E368 IonicContact CZ-OE2 3.34Å; R318-E368 IonicContact NE-OE1 2.91Å; R318-E368 PolarHBondContact NE-OE1 3.5Å; R318-E368 IonicContact NE-OE2 3.3Å; R318-E368 PolarHBondContact NE-OE2 2.97Å; R318-E368 IonicContact NH2-OE1 3.45Å; R318-E368 PolarHBondContact NH2-OE1 3.2Å; R318-E368 IonicContact NH2-OE2 3.24Å
319	K	95.7	Very high	93.6	Very high	84 Å²	84	50.5 Å²	50.5	37%	0.365	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	173.3	173.7	-53.4	-55.1	-179.8	-163.8	0	110.7	Y316 L317 P332 L333 V335	Y316-K319 WeakPolarHBondContact O-CE 3.43Å; Y316-K319 PolarHBondContact O-NZ 3.47Å; L317-K319 PolarHBondContact O-N 2.91Å; K319-P332 WeakPolarHBondContact O-CA 3.48Å; K319-L333 PolarHBondContact N-O 3.19Å; K319-L333 PolarHBondContact O-N 3.3Å; K319-L333 VanDerWaalsContact O-N 3.15Å; K319-V335 HydrophobicContact CB-CG1 4.48Å; K319-V335 HydrophobicContact CD-CG2 4.46Å; K319-V335 HydrophobicContact CG-CG1 3.96Å; K319-V335 HydrophobicContact CG-CG2 3.72Å
320	G	94	Very high	93.3	Very high	42 Å²	42	57 Å²	57	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	94.5	-165.2	-177.9	0	0	0	0	0	112.9
321	R	93.1	Very high	93.1	Very high	16 Å²	16	57.4 Å²	57.4	6%	0.06	33%	0.334	C	S	.	.			trans	-59.3	149.2	-179.3	61.8	-178.9	-179.2	-93.4	-9.9	111.9	R318 S323 C324 N330 H331 P332	R318-R321 PolarHBondContact NH1-O 3.05Å; R318-R321 PolarHBondContact NH2-O 3.25Å; R321-S323 WeakPolarHBondContact CD-O 2.9Å; R321-S323 VanDerWaalsContact CG-O 3.31Å; R321-S323 WeakPolarHBondContact CG-O 2.86Å; R321-S323 PolarHBondContact NE-O 3.26Å; R321-C324 VanDerWaalsContact CZ-O 3.23Å; R321-C324 PolarHBondContact NE-O 3.09Å; R321-C324 PolarHBondContact NH2-O 3.44Å; R321-N330 WeakPolarHBondContact CG-O 3.47Å; R321-N330 PolarHBondContact N-O 3.39Å; R321-H331 VanDerWaalsContact NH1-CA 3.25Å; R321-H331 PolarHBondContact NH2-ND1 3.11Å; R321-P332 HydrophobicContact CG-CG 3.88Å; R321-P332 VanDerWaalsContact CZ-CD 3.5Å
322	Y	90.3	Very high	93	Very high	182 Å²	182	51.5 Å²	51.5	71%	0.714	31%	0.307	S	S	*	.	S	Bend	trans	-64.5	-53.1	-176.5	-177.6	-100.3	0	0	0	111.9	R318	R318-Y322 PolarHBondContact NH1-O 3.48Å; R318-Y322 PolarHBondContact NH2-O 3.34Å
323	S	90.2	Very high	92.8	Very high	38 Å²	38	52 Å²	52	27%	0.266	31%	0.308	S	S	.	.	S	Bend	trans	-95.1	137.4	178	-54.1	0	0	0	0	111	R321 S326	R321-S323 WeakPolarHBondContact CD-O 2.9Å; R321-S323 VanDerWaalsContact CG-O 3.31Å; R321-S323 WeakPolarHBondContact CG-O 2.86Å; R321-S323 PolarHBondContact NE-O 3.26Å; S323-S326 WeakPolarHBondContact CB-OG 3.49Å; S323-S326 PolarHBondContact OG-OG 3.15Å
324	C	89.1	Confident	92.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.014	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-53.6	180	168.6	0	0	0	0	112.2	R321 E367 C371	R321-C324 VanDerWaalsContact CZ-O 3.23Å; R321-C324 PolarHBondContact NE-O 3.09Å; R321-C324 PolarHBondContact NH2-O 3.44Å; C324-E367 HydrophobicContact CB-CB 4.25Å; C324-E367 WeakPolarHBondContact CB-O 3.21Å; C324-E367 PolarHBondContact SG-O 2.82Å; C324-C371 WeakPolarHBondContact CA-SG 3.31Å; C324-C371 HydrophobicContact CB-CB 3.82Å; C324-C371 WeakPolarHBondContact CB-SG 3.13Å; C324-C371 WeakPolarHBondContact SG-CB 3.47Å; C324-C371 CovalentContact SG-SG 2.01Å; C324-C371 PolarHBondContact SG-SG 3.15Å
325	N	87.3	Confident	92.9	Very high	37 Å²	37	49.9 Å²	49.9	20%	0.198	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	19.7	-170.2	-151.2	6.7	0	0	0	113.3	P561 L562 R563 Y566	N325-P561 PolarHBondContact ND2-O 3.36Å; N325-L562 HydrophobicContact CB-CD1 4.32Å; N325-R563 WeakPolarHBondContact OD1-CB 3.05Å; N325-R563 WeakPolarHBondContact OD1-CG 3.45Å; N325-R563 PolarHBondContact OD1-N 3.2Å; N325-Y566 WeakPolarHBondContact O-CE2 3.27Å
326	S	85.9	Confident	92.9	Very high	50 Å²	50	46 Å²	46	35%	0.35	27%	0.273	S	S	.	.	S	Bend	trans	-153.1	164.5	176.3	58.1	0	0	0	0	112.1	S323 Y566	S323-S326 WeakPolarHBondContact CB-OG 3.49Å; S323-S326 PolarHBondContact OG-OG 3.15Å; S326-Y566 VanDerWaalsContact C-OH 3.24Å; S326-Y566 VanDerWaalsContact CA-OH 3.27Å; S326-Y566 WeakPolarHBondContact CA-OH 3.41Å
327	G	85.6	Confident	93	Very high	55 Å²	55	42.6 Å²	42.6	57%	0.567	26%	0.259	S	S	*	.	S	Bend	trans	85.6	-165.6	-179.3	0	0	0	0	0	114.2	Y566	G327-Y566 PolarHBondContact N-OH 3Å; G327-Y566 PolarHBondContact O-OH 3.12Å
328	S	87	Confident	93	Very high	111 Å²	111	43.6 Å²	43.6	78%	0.776	26%	0.264	S	S	*	.	S	Bend	trans	-128.8	152	-175.3	57.6	0	0	0	0	111.4
329	G	89.7	Confident	92.9	Very high	56 Å²	56	42.5 Å²	42.5	58%	0.577	26%	0.26	S	S	*	.	S	Bend	trans	118.4	-177.3	177.6	0	0	0	0	0	113
330	N	91.8	Very high	92.8	Very high	135 Å²	135	41 Å²	41	72%	0.722	26%	0.261	S	S	*	.	S	Bend	trans	-62.3	153.6	-175.7	-64.6	-14.4	0	0	0	112.3	R321	R321-N330 WeakPolarHBondContact CG-O 3.47Å; R321-N330 PolarHBondContact N-O 3.39Å
331	H	94.2	Very high	92.9	Very high	20 Å²	20	43.3 Å²	43.3	9%	0.093	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-57.2	139.2	175	-167.7	74.8	0	0	0	112.2	R321 L333 C371 L570	R321-H331 VanDerWaalsContact NH1-CA 3.25Å; R321-H331 PolarHBondContact NH2-ND1 3.11Å; H331-L333 PolarHBondContact O-N 3.18Å; H331-C371 PolarHBondContact CE1-O 2.78Å; H331-C371 PolarHBondContact NE2-O 3.09Å; H331-L570 HydrophobicContact CB-CD1 3.98Å
332	P	94.9	Very high	93	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.013	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-61.6	134.7	175.6	-22.8	34.7	0	0	0	111.3	K319 R321 C371	K319-P332 WeakPolarHBondContact O-CA 3.48Å; R321-P332 HydrophobicContact CG-CG 3.88Å; R321-P332 VanDerWaalsContact CZ-CD 3.5Å; P332-C371 HydrophobicContact CB-CB 4.47Å; P332-C371 HydrophobicContact CG-CB 4.32Å
333	L	95.6	Very high	93.4	Very high	24 Å²	24	36.8 Å²	36.8	13%	0.126	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.8	169.1	69.9	137.4	0	0	0	109.9	K319 H331 V335 L375 W392	K319-L333 PolarHBondContact N-O 3.19Å; K319-L333 PolarHBondContact O-N 3.3Å; K319-L333 VanDerWaalsContact O-N 3.15Å; H331-L333 PolarHBondContact O-N 3.18Å; L333-V335 HydrophobicContact CD1-CG1 3.49Å; L333-V335 VanDerWaalsContact CD1-CG1 3.49Å; L333-V335 HydrophobicContact CG-CG1 4.02Å; L333-L375 HydrophobicContact CB-CD2 3.84Å; L333-W392 HydrophobicContact CD1-CD2 3.91Å; L333-W392 HydrophobicContact CD1-CG 3.89Å; L333-W392 HydrophobicContact CD1-CZ2 4.39Å
334	Y	97.8	Very high	93.7	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.3	176.1	-71.7	-97.1	0	0	0	108.1	I279 I313 K314 L317 R318 Q353 Q360 E368 Q372	I279-Y334 HydrophobicContact CD1-CD1 4.05Å; I279-Y334 HydrophobicContact CD1-CD2 4.26Å; I279-Y334 HydrophobicContact CD1-CG 3.72Å; I313-Y334 HydrophobicContact CG2-CD1 3.81Å; I313-Y334 HydrophobicContact CG2-CE1 3.65Å; K314-Y334 HydrophobicContact CD-CE1 4.24Å; K314-Y334 VanDerWaalsContact CD-OH 3.24Å; K314-Y334 WeakPolarHBondContact CD-OH 3.16Å; L317-Y334 HydrophobicContact CB-CD1 4.09Å; L317-Y334 WeakPolarHBondContact O-CA 3.37Å; R318-Y334 HydrophobicContact CB-CD1 4.03Å; R318-Y334 HydrophobicContact CB-CE1 3.69Å; R318-Y334 HydrophobicContact CG-CE1 4.08Å; R318-Y334 HydrophobicContact CG-CE2 4.31Å; Y334-Q353 PolarHBondContact O-NE2 2.94Å; Y334-Q360 PolarHBondContact OH-NE2 3.06Å; Y334-Q360 VanDerWaalsContact OH-NE2 3.1Å; Y334-E368 PolarHBondContact OH-OE2 3.13Å; Y334-Q372 VanDerWaalsContact CE2-OE1 3.29Å
335	V	97.9	Very high	93.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.024	28%	0.275	C	S	.	.			trans	-93.3	158.8	-177.2	-57.7	0	0	0	0	111.5	L317 K319 L333 V337 F344 W392	L317-V335 WeakPolarHBondContact O-CG2 3.43Å; L317-V335 PolarHBondContact O-N 3.37Å; K319-V335 HydrophobicContact CB-CG1 4.48Å; K319-V335 HydrophobicContact CD-CG2 4.46Å; K319-V335 HydrophobicContact CG-CG1 3.96Å; K319-V335 HydrophobicContact CG-CG2 3.72Å; L333-V335 HydrophobicContact CD1-CG1 3.49Å; L333-V335 VanDerWaalsContact CD1-CG1 3.49Å; L333-V335 HydrophobicContact CG-CG1 4.02Å; V335-V337 HydrophobicContact CG2-CG1 3.8Å; V335-F344 HydrophobicContact CB-CD2 4.19Å; V335-F344 HydrophobicContact CB-CE2 4.18Å; V335-F344 HydrophobicContact CG1-CE2 4.3Å; V335-F344 HydrophobicContact CG2-CD2 4.15Å; V335-W392 HydrophobicContact CG1-CZ2 4.12Å
336	N	98.2	Very high	94.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.011	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	133.6	167.7	-64.2	-44.7	0	0	0	110.8	L276 S277 Q345 N346 W348	L276-N336 HydrophobicContact CD1-CB 4.3Å; L276-N336 HydrophobicContact CG-CB 4.28Å; S277-N336 WeakPolarHBondContact O-CA 3.41Å; N336-Q345 PolarHBondContact O-N 3.38Å; N336-Q345 VanDerWaalsContact O-N 3.09Å; N336-N346 WeakPolarHBondContact CB-OD1 3.14Å; N336-N346 PolarHBondContact ND2-OD1 2.65Å; N336-W348 WeakPolarHBondContact ND2-CH2 3.34Å; N336-W348 VanDerWaalsContact ND2-CZ3 3.27Å; N336-W348 WeakPolarHBondContact ND2-CZ3 3.44Å; N336-W348 PolarHBondContact ND2-O 3.37Å
337	V	98.4	Very high	94.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	170.3	-178.5	-53.2	0	0	0	0	111.6	L260 S277 L317 V335 S343	L260-V337 HydrophobicContact CD1-CG2 3.58Å; S277-V337 PolarHBondContact N-O 2.85Å; S277-V337 PolarHBondContact O-N 3.46Å; L317-V337 HydrophobicContact CD2-CB 4.14Å; L317-V337 HydrophobicContact CD2-CG1 3.88Å; L317-V337 HydrophobicContact CD2-CG2 3.26Å; V335-V337 HydrophobicContact CG2-CG1 3.8Å; V337-S343 CarbonylContact C-O 3.52Å; V337-S343 WeakPolarHBondContact CA-O 3.43Å; V337-S343 VanDerWaalsContact CB-O 3.24Å; V337-S343 WeakPolarHBondContact CB-O 3.47Å
338	D	98	Very high	95.4	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.7	167.8	-161.9	-80.1	0	0	0	110	S340 D341 G342 S343 Q345	D338-S340 PolarHBondContact O-N 3.29Å; D338-S340 WeakPolarHBondContact OD1-CA 3.45Å; D338-S340 WeakPolarHBondContact OD1-CB 3.36Å; D338-S340 PolarHBondContact OD1-N 3.43Å; D338-S340 PolarHBondContact OD1-OG 2.99Å; D338-D341 WeakPolarHBondContact CB-OD1 3.28Å; D338-G342 VanDerWaalsContact O-CA 3.25Å; D338-G342 WeakPolarHBondContact O-CA 3.36Å; D338-G342 PolarHBondContact O-N 2.94Å; D338-S343 WeakPolarHBondContact CB-OG 3.43Å; D338-S343 PolarHBondContact N-O 2.66Å; D338-Q345 HydrophobicContact CB-CG 4.05Å; D338-Q345 VanDerWaalsContact N-CG 3.25Å; D338-Q345 PolarHBondContact OD2-NE2 2.78Å
339	L	95.9	Very high	95.9	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-40.7	172	159.2	71.4	0	0	0	113.1	S255 T258 L260 W272 M275	S255-L339 WeakPolarHBondContact CB-O 3.35Å; S255-L339 PolarHBondContact OG-O 3.16Å; S255-L339 VanDerWaalsContact OG-O 3.13Å; T258-L339 WeakPolarHBondContact CG2-O 3.14Å; T258-L339 PolarHBondContact OG1-O 2.86Å; L260-L339 VanDerWaalsContact C-CD1 3.47Å; L260-L339 HydrophobicContact CB-CD1 4.22Å; L260-L339 WeakPolarHBondContact O-CD1 3.2Å; W272-L339 HydrophobicContact CB-CD2 3.74Å; W272-L339 HydrophobicContact CD2-CD2 4.25Å; W272-L339 HydrophobicContact CG-CD2 3.49Å; W272-L339 VanDerWaalsContact CG-CD2 3.49Å; M275-L339 HydrophobicContact CE-CB 4.28Å; M275-L339 HydrophobicContact CE-CD2 3.73Å; M275-L339 HydrophobicContact CE-CG 4.21Å; M275-L339 VanDerWaalsContact O-CB 3.28Å; M275-L339 WeakPolarHBondContact O-CB 3.15Å; M275-L339 PolarHBondContact O-N 3.29Å; M275-L339 HydrophobicContact SD-CD2 3.84Å
340	S	94.7	Very high	96.3	Very high	53 Å²	53	32.8 Å²	32.8	37%	0.371	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-38.2	-166.9	68.5	0	0	0	0	113.5	T257 D338	T257-S340 VanDerWaalsContact CB-O 3.29Å; T257-S340 WeakPolarHBondContact CB-O 3.42Å; D338-S340 PolarHBondContact O-N 3.29Å; D338-S340 WeakPolarHBondContact OD1-CA 3.45Å; D338-S340 WeakPolarHBondContact OD1-CB 3.36Å; D338-S340 PolarHBondContact OD1-N 3.43Å; D338-S340 PolarHBondContact OD1-OG 2.99Å
341	D	95.4	Very high	96.6	Very high	91 Å²	91	26.4 Å²	26.4	49%	0.487	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-7.9	-172.9	69.4	-0.7	0	0	0	114.6	D338 S343	D338-D341 WeakPolarHBondContact CB-OD1 3.28Å; D341-S343 VanDerWaalsContact C-N 3.29Å; D341-S343 WeakPolarHBondContact OD1-CB 3.43Å; D341-S343 PolarHBondContact OD1-N 3.08Å; D341-S343 PolarHBondContact OD1-OG 2.82Å; D341-S343 PolarHBondContact OD2-OG 2.81Å
342	G	96.2	Very high	96.8	Very high	11 Å²	11	26.6 Å²	26.6	11%	0.113	14%	0.144	C	C	.	.			trans	76	15.4	-178	0	0	0	0	0	114	D338	D338-G342 VanDerWaalsContact O-CA 3.25Å; D338-G342 WeakPolarHBondContact O-CA 3.36Å; D338-G342 PolarHBondContact O-N 2.94Å
343	S	97.3	Very high	97	Very high	50 Å²	50	26.6 Å²	26.6	35%	0.35	14%	0.144	S	C	.	.			trans	-65.8	146.1	173	61.5	0	0	0	0	111	V337 D338 D341 Q345	V337-S343 CarbonylContact C-O 3.52Å; V337-S343 WeakPolarHBondContact CA-O 3.43Å; V337-S343 VanDerWaalsContact CB-O 3.24Å; V337-S343 WeakPolarHBondContact CB-O 3.47Å; D338-S343 WeakPolarHBondContact CB-OG 3.43Å; D338-S343 PolarHBondContact N-O 2.66Å; D341-S343 VanDerWaalsContact C-N 3.29Å; D341-S343 WeakPolarHBondContact OD1-CB 3.43Å; D341-S343 PolarHBondContact OD1-N 3.08Å; D341-S343 PolarHBondContact OD1-OG 2.82Å; D341-S343 PolarHBondContact OD2-OG 2.81Å; S343-Q345 PolarHBondContact O-N 3.33Å
344	F	96.1	Very high	97.1	Very high	94 Å²	94	25.4 Å²	25.4	41%	0.412	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.3	-178.9	175.2	-99.8	0	0	0	111.7	V335 N346 W392	V335-F344 HydrophobicContact CB-CD2 4.19Å; V335-F344 HydrophobicContact CB-CE2 4.18Å; V335-F344 HydrophobicContact CG1-CE2 4.3Å; V335-F344 HydrophobicContact CG2-CD2 4.15Å; F344-N346 WeakPolarHBondContact CE2-O 3.41Å; F344-N346 WeakPolarHBondContact CZ-O 3.47Å; F344-W392 AromaticContact CE2-CZ2 3.62Å; F344-W392 HydrophobicContact CE2-CZ2 3.62Å; F344-W392 AromaticContact CZ-CZ2 3.8Å; F344-W392 HydrophobicContact CZ-CZ2 3.8Å
345	Q	95.1	Very high	97.1	Very high	92 Å²	92	25.5 Å²	25.5	43%	0.43	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-45.1	-176.1	-80.2	-70.5	-14.1	0	0	113.5	N336 D338 S343	N336-Q345 PolarHBondContact O-N 3.38Å; N336-Q345 VanDerWaalsContact O-N 3.09Å; D338-Q345 HydrophobicContact CB-CG 4.05Å; D338-Q345 VanDerWaalsContact N-CG 3.25Å; D338-Q345 PolarHBondContact OD2-NE2 2.78Å; S343-Q345 PolarHBondContact O-N 3.33Å
346	N	95.6	Very high	97.1	Very high	26 Å²	26	25.4 Å²	25.4	14%	0.139	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161	-178.3	63.5	58.9	0	0	0	112.2	L276 N336 F344 W348	L276-N346 WeakPolarHBondContact CD1-ND2 3.32Å; N336-N346 WeakPolarHBondContact CB-OD1 3.14Å; N336-N346 PolarHBondContact ND2-OD1 2.65Å; F344-N346 WeakPolarHBondContact CE2-O 3.41Å; F344-N346 WeakPolarHBondContact CZ-O 3.47Å; N346-W348 VanDerWaalsContact CG-CE2 3.49Å; N346-W348 WeakPolarHBondContact ND2-CZ2 3.36Å; N346-W348 PolarHBondContact ND2-NE1 3.35Å; N346-W348 PolarHBondContact OD1-N 3.19Å; N346-W348 PolarHBondContact OD1-NE1 2.85Å; N346-W348 PolarHBondContact OD1-O 3.47Å
347	S	96.8	Very high	97.2	Very high	18 Å²	18	25.3 Å²	25.3	13%	0.126	14%	0.138	C	C	.	.	S	Bend	trans	-97	15.4	-177.3	40.2	0	0	0	0	114.4	N391 W392 Q393	S347-N391 CarbonylContact O-C 3.41Å; S347-N391 VanDerWaalsContact O-CA 3.26Å; S347-N391 WeakPolarHBondContact O-CA 3.24Å; S347-N391 PolarHBondContact O-OD1 3.49Å; S347-N391 PolarHBondContact OG-ND2 3.46Å; S347-N391 PolarHBondContact OG-OD1 2.85Å; S347-W392 PolarHBondContact O-N 3.15Å; S347-W392 PolarHBondContact O-NE1 3.45Å; S347-W392 VanDerWaalsContact O-NE1 3.13Å; S347-Q393 VanDerWaalsContact CB-CD 3.43Å
348	W	97.7	Very high	97.1	Very high	29 Å²	29	25.6 Å²	25.6	11%	0.11	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.4	174.9	62	-105.1	0	0	0	112.2	L276 N336 N346 D350 R389 F390	L276-W348 HydrophobicContact CD1-CH2 4.31Å; L276-W348 HydrophobicContact CD1-CZ2 3.9Å; N336-W348 WeakPolarHBondContact ND2-CH2 3.34Å; N336-W348 VanDerWaalsContact ND2-CZ3 3.27Å; N336-W348 WeakPolarHBondContact ND2-CZ3 3.44Å; N336-W348 PolarHBondContact ND2-O 3.37Å; N346-W348 VanDerWaalsContact CG-CE2 3.49Å; N346-W348 WeakPolarHBondContact ND2-CZ2 3.36Å; N346-W348 PolarHBondContact ND2-NE1 3.35Å; N346-W348 PolarHBondContact OD1-N 3.19Å; N346-W348 PolarHBondContact OD1-NE1 2.85Å; N346-W348 PolarHBondContact OD1-O 3.47Å; W348-D350 HydrophobicContact CE3-CB 4.37Å; W348-D350 HydrophobicContact CZ3-CB 4.08Å; W348-D350 WeakPolarHBondContact CZ3-OD2 3.34Å; W348-R389 HydrophobicContact CB-CB 4.46Å; W348-R389 HydrophobicContact CD2-CG 4.45Å; W348-R389 HydrophobicContact CE3-CG 4.12Å; W348-F390 CarbonylContact C-O 3.59Å; W348-F390 VanDerWaalsContact CA-O 3.26Å; W348-F390 WeakPolarHBondContact CA-O 3.43Å
349	I	97.8	Very high	97.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151	162.3	56.8	175.4	0	0	0	107.2	Q353 L375 Y376 I379 R389 F390	I349-Q353 VanDerWaalsContact CB-OE1 3.26Å; I349-L375 HydrophobicContact CD1-CD2 3.66Å; I349-L375 HydrophobicContact CD1-CG 4.2Å; I349-Y376 HydrophobicContact CD1-CE1 4.12Å; I349-I379 HydrophobicContact CD1-CD1 3.9Å; I349-R389 CarbonylContact O-C 3.6Å; I349-R389 WeakPolarHBondContact O-CA 3.43Å; I349-F390 HydrophobicContact CG1-CB 4.31Å; I349-F390 PolarHBondContact N-O 2.99Å; I349-F390 PolarHBondContact O-N 3.44Å
350	D	97.7	Very high	97.3	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	166.8	178.4	61.1	49.8	0	0	0	112.5	G280 A281 W348 L352 Q353 Y376 E388 R389	G280-D350 VanDerWaalsContact CA-OD1 3.25Å; G280-D350 WeakPolarHBondContact CA-OD1 3.09Å; G280-D350 WeakPolarHBondContact CA-OD2 3.47Å; A281-D350 PolarHBondContact N-OD1 3.35Å; A281-D350 PolarHBondContact N-OD2 2.78Å; W348-D350 HydrophobicContact CE3-CB 4.37Å; W348-D350 HydrophobicContact CZ3-CB 4.08Å; W348-D350 WeakPolarHBondContact CZ3-OD2 3.34Å; D350-L352 VanDerWaalsContact C-N 3.34Å; D350-L352 PolarHBondContact OD1-N 3.01Å; D350-Q353 WeakPolarHBondContact OD1-CB 3.5Å; D350-Q353 PolarHBondContact OD1-N 2.79Å; D350-Y376 WeakPolarHBondContact O-CE1 3.44Å; D350-Y376 PolarHBondContact O-OH 2.85Å; D350-E388 WeakPolarHBondContact CA-O 3.33Å; D350-E388 WeakPolarHBondContact CB-O 2.86Å; D350-R389 HydrophobicContact CB-CG 4.12Å
351	S	98	Very high	97.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-66.2	-34.7	179.3	51.9	0	0	0	0	112.4	Q353 A354 E388 R405	S351-Q353 VanDerWaalsContact C-N 3.3Å; S351-Q353 PolarHBondContact O-N 2.98Å; S351-A354 WeakPolarHBondContact O-CB 3.31Å; S351-A354 PolarHBondContact O-N 2.79Å; S351-A354 VanDerWaalsContact O-N 3.09Å; S351-E388 PolarHBondContact N-O 2.92Å; S351-E388 VanDerWaalsContact N-O 3.08Å; S351-E388 PolarHBondContact OG-OE2 3.11Å; S351-R405 WeakPolarHBondContact OG-CD 3.29Å; S351-R405 PolarHBondContact OG-NE 2.92Å
352	L	98.2	Very high	97.5	Very high	24 Å²	24	22 Å²	22	13%	0.126	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-63.9	-37.4	-180	-68.3	84.1	0	0	0	111.5	A281 D284 D350 A354 S355 E388	A281-L352 HydrophobicContact CB-CD1 4.22Å; A281-L352 HydrophobicContact CB-CD2 4.33Å; D284-L352 VanDerWaalsContact OD2-CD2 3.26Å; D284-L352 WeakPolarHBondContact OD2-CD2 3.47Å; D350-L352 VanDerWaalsContact C-N 3.34Å; D350-L352 PolarHBondContact OD1-N 3.01Å; L352-A354 PolarHBondContact O-N 2.78Å; L352-S355 PolarHBondContact O-N 3.11Å; L352-S355 PolarHBondContact O-OG 3.22Å; L352-E388 WeakPolarHBondContact CD1-OE1 3.23Å
353	Q	97.9	Very high	97.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.7	-16.1	175.2	177.7	177.9	19.3	0	0	114	I279 Y334 I349 D350 S351 S355 F356 Q372 Y376	I279-Q353 HydrophobicContact CD1-CG 3.67Å; I279-Q353 HydrophobicContact CG1-CG 3.71Å; Y334-Q353 PolarHBondContact O-NE2 2.94Å; I349-Q353 VanDerWaalsContact CB-OE1 3.26Å; D350-Q353 WeakPolarHBondContact OD1-CB 3.5Å; D350-Q353 PolarHBondContact OD1-N 2.79Å; S351-Q353 VanDerWaalsContact C-N 3.3Å; S351-Q353 PolarHBondContact O-N 2.98Å; Q353-S355 PolarHBondContact O-N 3.4Å; Q353-F356 WeakPolarHBondContact O-CB 3.45Å; Q353-F356 PolarHBondContact O-N 2.62Å; Q353-Q372 PolarHBondContact O-NE2 3.03Å; Q353-Y376 WeakPolarHBondContact CB-OH 3.39Å; Q353-Y376 VanDerWaalsContact CD-OH 3.31Å; Q353-Y376 WeakPolarHBondContact CG-OH 3.5Å; Q353-Y376 PolarHBondContact OE1-OH 3.3Å
354	A	98.4	Very high	97.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-61.6	-30.9	174.1	0	0	0	0	0	112.7	S351 L352 F356 S357 Y376 L386 E407 F408 S411	S351-A354 WeakPolarHBondContact O-CB 3.31Å; S351-A354 PolarHBondContact O-N 2.79Å; S351-A354 VanDerWaalsContact O-N 3.09Å; L352-A354 PolarHBondContact O-N 2.78Å; A354-F356 PolarHBondContact O-N 2.97Å; A354-S357 PolarHBondContact O-N 2.88Å; A354-S357 PolarHBondContact O-OG 3.15Å; A354-Y376 HydrophobicContact CB-CD1 3.8Å; A354-Y376 HydrophobicContact CB-CD2 4.03Å; A354-Y376 HydrophobicContact CB-CE1 3.97Å; A354-Y376 HydrophobicContact CB-CE2 4.22Å; A354-Y376 HydrophobicContact CB-CG 3.84Å; A354-L386 HydrophobicContact CB-CD2 4.21Å; A354-E407 HydrophobicContact CB-CB 4.16Å; A354-F408 HydrophobicContact CB-CB 4.11Å; A354-S411 WeakPolarHBondContact O-CB 3.27Å; A354-S411 PolarHBondContact O-OG 2.74Å
355	S	98.1	Very high	97.5	Very high	8 Å²	8	22.4 Å²	22.4	6%	0.056	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-65.1	-27.3	179.9	65.7	0	0	0	0	111.6	L352 Q353 S357 S358	L352-S355 PolarHBondContact O-N 3.11Å; L352-S355 PolarHBondContact O-OG 3.22Å; Q353-S355 PolarHBondContact O-N 3.4Å; S355-S357 PolarHBondContact O-N 3.13Å; S355-S358 WeakPolarHBondContact O-CA 3.44Å; S355-S358 VanDerWaalsContact O-CB 3.29Å; S355-S358 WeakPolarHBondContact O-CB 3.43Å; S355-S358 PolarHBondContact O-N 2.89Å; S355-S358 PolarHBondContact O-OG 3.45Å
356	F	98.5	Very high	97.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-60	-21	-176.7	-165	-101.8	0	0	0	113.5	I279 Y287 Y310 I313 Q353 A354 S358 V359 Q360	I279-F356 HydrophobicContact CB-CD2 4.04Å; I279-F356 HydrophobicContact CB-CE2 4.25Å; I279-F356 HydrophobicContact CB-CG 4.25Å; I279-F356 HydrophobicContact CD1-CB 3.84Å; I279-F356 HydrophobicContact CD1-CD1 3.4Å; I279-F356 HydrophobicContact CD1-CD2 4.19Å; I279-F356 HydrophobicContact CD1-CE1 3.92Å; I279-F356 HydrophobicContact CD1-CG 3.55Å; I279-F356 HydrophobicContact CG2-CD2 4.16Å; I279-F356 HydrophobicContact CG2-CE1 4.42Å; I279-F356 HydrophobicContact CG2-CE2 3.85Å; I279-F356 HydrophobicContact CG2-CZ 3.99Å; Y287-F356 HydrophobicContact CD2-CE2 4.29Å; Y287-F356 HydrophobicContact CG-CE2 4.49Å; Y310-F356 HydrophobicContact CD2-CZ 4.09Å; Y310-F356 HydrophobicContact CE2-CE1 4.05Å; Y310-F356 AromaticContact CE2-CZ 3.92Å; Y310-F356 HydrophobicContact CE2-CZ 3.92Å; I313-F356 HydrophobicContact CD1-CE2 4.34Å; I313-F356 HydrophobicContact CD1-CZ 4.05Å; I313-F356 HydrophobicContact CG2-CE1 4.3Å; I313-F356 HydrophobicContact CG2-CZ 4.1Å; Q353-F356 WeakPolarHBondContact O-CB 3.45Å; Q353-F356 PolarHBondContact O-N 2.62Å; A354-F356 PolarHBondContact O-N 2.97Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 2.61Å; F356-V359 HydrophobicContact CD2-CB 4.29Å; F356-V359 HydrophobicContact CD2-CG2 4.36Å; F356-V359 HydrophobicContact CE2-CG1 4.44Å; F356-V359 WeakPolarHBondContact O-CB 3.41Å; F356-V359 PolarHBondContact O-N 2.88Å; F356-Q360 HydrophobicContact CD1-CG 3.98Å; F356-Q360 HydrophobicContact CE1-CG 3.98Å; F356-Q360 WeakPolarHBondContact O-CG 3.43Å; F356-Q360 PolarHBondContact O-N 3.09Å
357	S	98.5	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.7	-33.6	170.3	-43.1	0	0	0	0	112	A354 S355 Q360 V361 A369 Q372	A354-S357 PolarHBondContact O-N 2.88Å; A354-S357 PolarHBondContact O-OG 3.15Å; S355-S357 PolarHBondContact O-N 3.13Å; S357-Q360 PolarHBondContact O-N 3.17Å; S357-V361 WeakPolarHBondContact O-CG2 3.37Å; S357-V361 PolarHBondContact O-N 3.13Å; S357-A369 WeakPolarHBondContact O-CB 3.22Å; S357-Q372 WeakPolarHBondContact OG-CG 3.31Å
358	S	98.2	Very high	97.3	Very high	5 Å²	5	22 Å²	22	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-40.4	172.7	79.4	0	0	0	0	111.3	S355 F356 Q360 V361 L362 E410	S355-S358 WeakPolarHBondContact O-CA 3.44Å; S355-S358 VanDerWaalsContact O-CB 3.29Å; S355-S358 WeakPolarHBondContact O-CB 3.43Å; S355-S358 PolarHBondContact O-N 2.89Å; S355-S358 PolarHBondContact O-OG 3.45Å; F356-S358 VanDerWaalsContact C-N 3.29Å; F356-S358 PolarHBondContact O-N 2.61Å; S358-Q360 VanDerWaalsContact C-N 3.34Å; S358-Q360 PolarHBondContact O-N 3.38Å; S358-V361 WeakPolarHBondContact O-CB 3.44Å; S358-V361 PolarHBondContact O-N 3.03Å; S358-L362 WeakPolarHBondContact O-CB 3.32Å; S358-L362 PolarHBondContact O-N 3.02Å; S358-E410 WeakPolarHBondContact CB-OE1 3.05Å; S358-E410 PolarHBondContact OG-OE1 2.96Å
359	V	98.6	Very high	97.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-43.6	174	-175.8	0	0	0	0	110.8	E288 L291 F306 F356 L362 Y363	E288-V359 HydrophobicContact CB-CG2 3.72Å; E288-V359 HydrophobicContact CG-CG2 3.95Å; L291-V359 HydrophobicContact CD2-CG1 4.31Å; F306-V359 HydrophobicContact CE2-CG1 3.79Å; F306-V359 HydrophobicContact CZ-CG1 3.93Å; F356-V359 HydrophobicContact CD2-CB 4.29Å; F356-V359 HydrophobicContact CD2-CG2 4.36Å; F356-V359 HydrophobicContact CE2-CG1 4.44Å; F356-V359 WeakPolarHBondContact O-CB 3.41Å; F356-V359 PolarHBondContact O-N 2.88Å; V359-L362 PolarHBondContact O-N 3.34Å; V359-Y363 WeakPolarHBondContact O-CB 3.38Å; V359-Y363 PolarHBondContact O-N 3.22Å
360	Q	98.4	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-41.2	176.2	-71.6	170.2	-21.2	0	0	112.1	Y310 Y334 F356 S357 S358 Y363 G364 D365 E368 A369	Y310-Q360 HydrophobicContact CE2-CG 4.17Å; Y334-Q360 PolarHBondContact OH-NE2 3.06Å; Y334-Q360 VanDerWaalsContact OH-NE2 3.1Å; F356-Q360 HydrophobicContact CD1-CG 3.98Å; F356-Q360 HydrophobicContact CE1-CG 3.98Å; F356-Q360 WeakPolarHBondContact O-CG 3.43Å; F356-Q360 PolarHBondContact O-N 3.09Å; S357-Q360 PolarHBondContact O-N 3.17Å; S358-Q360 VanDerWaalsContact C-N 3.34Å; S358-Q360 PolarHBondContact O-N 3.38Å; Q360-Y363 PolarHBondContact O-N 3.48Å; Q360-G364 PolarHBondContact O-N 2.99Å; Q360-D365 PolarHBondContact O-N 3.08Å; Q360-E368 VanDerWaalsContact OE1-C 3.3Å; Q360-E368 PolarHBondContact OE1-O 3.38Å; Q360-A369 HydrophobicContact CB-CB 3.78Å; Q360-A369 VanDerWaalsContact OE1-N 3.09Å
361	V	97.8	Very high	97.1	Very high	25 Å²	25	20.7 Å²	20.7	15%	0.152	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-48.9	171.8	168.7	0	0	0	0	110.7	S357 S358 Y363 G364 L366 A369 F414 L415 A418	S357-V361 WeakPolarHBondContact O-CG2 3.37Å; S357-V361 PolarHBondContact O-N 3.13Å; S358-V361 WeakPolarHBondContact O-CB 3.44Å; S358-V361 PolarHBondContact O-N 3.03Å; V361-Y363 VanDerWaalsContact C-N 3.26Å; V361-Y363 PolarHBondContact O-N 3.22Å; V361-G364 PolarHBondContact O-N 2.91Å; V361-L366 HydrophobicContact CG2-CD1 4.04Å; V361-A369 HydrophobicContact CG2-CB 3.7Å; V361-F414 HydrophobicContact CG1-CB 4.29Å; V361-L415 HydrophobicContact CG2-CD2 3.59Å; V361-L415 HydrophobicContact CG2-CG 3.85Å; V361-A418 HydrophobicContact CG1-CB 3.68Å
362	L	97.6	Very high	97	Very high	66 Å²	66	21 Å²	21	35%	0.346	12%	0.115	S	C	.	.	H	α-helix	trans	-62.2	-35.4	-179.1	-174	61.9	0	0	0	112.2	L291 K292 I295 S358 V359 G364 I490	L291-L362 HydrophobicContact CD2-CB 4.07Å; L291-L362 HydrophobicContact CD2-CD2 3.96Å; L291-L362 HydrophobicContact CD2-CG 3.88Å; L291-L362 HydrophobicContact CG-CD2 4.16Å; L291-L362 HydrophobicContact CG-CG 4.34Å; K292-L362 HydrophobicContact CG-CD2 3.77Å; I295-L362 HydrophobicContact CD1-CD1 3.7Å; I295-L362 HydrophobicContact CD1-CD2 3.81Å; I295-L362 HydrophobicContact CD1-CG 3.7Å; S358-L362 WeakPolarHBondContact O-CB 3.32Å; S358-L362 PolarHBondContact O-N 3.02Å; V359-L362 PolarHBondContact O-N 3.34Å; L362-G364 VanDerWaalsContact C-N 3.33Å; L362-I490 HydrophobicContact CD1-CD1 4.14Å; L362-I490 HydrophobicContact CD2-CD1 3.91Å
363	Y	97.6	Very high	97	Very high	78 Å²	78	20 Å²	20	31%	0.306	11%	0.109	S	C	.	.	H	α-helix	trans	-77.4	-18.1	175.5	-170.1	-130.4	0	0	0	113.7	L291 L303 F306 S307 Y310 V359 Q360 V361	L291-Y363 HydrophobicContact CD1-CD2 4.23Å; L291-Y363 HydrophobicContact CD2-CD2 4.39Å; L303-Y363 HydrophobicContact CD1-CE2 4.47Å; F306-Y363 HydrophobicContact CD1-CD2 4.01Å; F306-Y363 AromaticContact CD1-CE2 3.91Å; F306-Y363 HydrophobicContact CD1-CE2 3.91Å; F306-Y363 AromaticContact CE1-CD1 3.91Å; F306-Y363 HydrophobicContact CE1-CD1 3.91Å; F306-Y363 AromaticContact CE1-CD2 3.37Å; F306-Y363 HydrophobicContact CE1-CD2 3.37Å; F306-Y363 HydrophobicContact CE1-CE1 4.1Å; F306-Y363 AromaticContact CE1-CE2 3.59Å; F306-Y363 HydrophobicContact CE1-CE2 3.59Å; F306-Y363 AromaticContact CE1-CG 3.54Å; F306-Y363 HydrophobicContact CE1-CG 3.54Å; F306-Y363 AromaticContact CE1-CZ 3.94Å; F306-Y363 HydrophobicContact CZ-CD1 4.48Å; F306-Y363 HydrophobicContact CZ-CD2 4.32Å; F306-Y363 HydrophobicContact CZ-CG 4.13Å; S307-Y363 PolarHBondContact OG-OH 3.12Å; S307-Y363 VanDerWaalsContact OG-OH 3.14Å; Y310-Y363 HydrophobicContact CD1-CD1 4.09Å; Y310-Y363 AromaticContact CD1-CE1 3.65Å; Y310-Y363 HydrophobicContact CD1-CE1 3.65Å; Y310-Y363 AromaticContact CE1-CD1 3.94Å; Y310-Y363 HydrophobicContact CE1-CD1 3.94Å; Y310-Y363 AromaticContact CE1-CE1 3.83Å; Y310-Y363 HydrophobicContact CE1-CE1 3.83Å; Y310-Y363 HydrophobicContact CE2-CD1 4.39Å; Y310-Y363 HydrophobicContact CG-CD1 4.38Å; Y310-Y363 HydrophobicContact CG-CE1 4.14Å; V359-Y363 WeakPolarHBondContact O-CB 3.38Å; V359-Y363 PolarHBondContact O-N 3.22Å; Q360-Y363 PolarHBondContact O-N 3.48Å; V361-Y363 VanDerWaalsContact C-N 3.26Å; V361-Y363 PolarHBondContact O-N 3.22Å
364	G	95.9	Very high	97	Very high	43 Å²	43	20 Å²	20	44%	0.443	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	7	-177.3	0	0	0	0	0	115.3	Q360 V361 L362 L366	Q360-G364 PolarHBondContact O-N 2.99Å; V361-G364 PolarHBondContact O-N 2.91Å; L362-G364 VanDerWaalsContact C-N 3.33Å; G364-L366 PolarHBondContact O-N 3.16Å
365	D	95.7	Very high	97	Very high	43 Å²	43	20.5 Å²	20.5	23%	0.23	11%	0.113	C	C	.	.			trans	-84.4	61.8	172.7	-160.9	-5.8	0	0	0	110.8	Y310 K314 Q360 E367 E368 A369	Y310-D365 WeakPolarHBondContact OH-CB 3.32Å; Y310-D365 PolarHBondContact OH-OD2 2.71Å; K314-D365 IonicContact NZ-OD2 3.13Å; K314-D365 PolarHBondContact NZ-OD2 3.24Å; Q360-D365 PolarHBondContact O-N 3.08Å; D365-E367 PolarHBondContact O-N 2.97Å; D365-E368 HydrophobicContact CB-CB 4.44Å; D365-E368 VanDerWaalsContact CG-CG 3.47Å; D365-E368 PolarHBondContact O-N 3.13Å; D365-E368 WeakPolarHBondContact OD1-CG 3.37Å; D365-E368 WeakPolarHBondContact OD2-CG 3.32Å; D365-A369 PolarHBondContact O-N 3.36Å
366	L	94.3	Very high	97	Very high	26 Å²	26	20.3 Å²	20.3	14%	0.136	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-36.8	-169.5	-178	63	0	0	0	113.6	V361 G364 E368 A369 I370 L415 A418 T419 W552	V361-L366 HydrophobicContact CG2-CD1 4.04Å; G364-L366 PolarHBondContact O-N 3.16Å; L366-E368 PolarHBondContact O-N 2.97Å; L366-A369 PolarHBondContact O-N 2.81Å; L366-I370 HydrophobicContact CG-CD1 4.08Å; L366-I370 WeakPolarHBondContact O-CD1 3.47Å; L366-I370 VanDerWaalsContact O-CG1 3.24Å; L366-I370 WeakPolarHBondContact O-CG1 3.42Å; L366-I370 PolarHBondContact O-N 3.32Å; L366-L415 HydrophobicContact CD1-CD2 3.75Å; L366-A418 HydrophobicContact CD1-CB 4.17Å; L366-T419 HydrophobicContact CD1-CG2 3.89Å; L366-T419 HydrophobicContact CD2-CG2 3.99Å; L366-T419 HydrophobicContact CG-CG2 4.36Å; L366-W552 HydrophobicContact CD2-CD2 4.42Å; L366-W552 HydrophobicContact CD2-CE3 4.04Å; L366-W552 HydrophobicContact CD2-CZ3 4.37Å
367	E	92.8	Very high	97	Very high	91 Å²	91	20.2 Å²	20.2	43%	0.425	11%	0.11	S	C	.	.	H	α-helix	trans	-62.1	-35.2	178.2	-71	-162.1	163.8	0	0	111.5	C324 D365 C371	C324-E367 HydrophobicContact CB-CB 4.25Å; C324-E367 WeakPolarHBondContact CB-O 3.21Å; C324-E367 PolarHBondContact SG-O 2.82Å; D365-E367 PolarHBondContact O-N 2.97Å; E367-C371 PolarHBondContact O-N 3.28Å; E367-C371 VanDerWaalsContact O-N 3.15Å
368	E	95.1	Very high	96.9	Very high	10 Å²	10	20.2 Å²	20.2	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-74.4	-41.5	179.8	-70.1	-78.2	139.8	0	0	111.9	K314 R318 Y334 Q360 D365 L366 I370 C371 Q372	K314-E368 IonicContact NZ-OE1 3.97Å; K314-E368 IonicContact NZ-OE2 2.76Å; K314-E368 PolarHBondContact NZ-OE2 3.1Å; R318-E368 VanDerWaalsContact CD-OE2 3.31Å; R318-E368 WeakPolarHBondContact CD-OE2 3.34Å; R318-E368 IonicContact CZ-OE1 3.17Å; R318-E368 IonicContact CZ-OE2 3.34Å; R318-E368 IonicContact NE-OE1 2.91Å; R318-E368 PolarHBondContact NE-OE1 3.5Å; R318-E368 IonicContact NE-OE2 3.3Å; R318-E368 PolarHBondContact NE-OE2 2.97Å; R318-E368 IonicContact NH2-OE1 3.45Å; R318-E368 PolarHBondContact NH2-OE1 3.2Å; R318-E368 IonicContact NH2-OE2 3.24Å; Y334-E368 PolarHBondContact OH-OE2 3.13Å; Q360-E368 VanDerWaalsContact OE1-C 3.3Å; Q360-E368 PolarHBondContact OE1-O 3.38Å; D365-E368 HydrophobicContact CB-CB 4.44Å; D365-E368 VanDerWaalsContact CG-CG 3.47Å; D365-E368 PolarHBondContact O-N 3.13Å; D365-E368 WeakPolarHBondContact OD1-CG 3.37Å; D365-E368 WeakPolarHBondContact OD2-CG 3.32Å; L366-E368 PolarHBondContact O-N 2.97Å; E368-I370 VanDerWaalsContact C-N 3.27Å; E368-I370 PolarHBondContact O-N 2.92Å; E368-C371 PolarHBondContact O-N 2.84Å; E368-C371 VanDerWaalsContact O-N 3.15Å; E368-Q372 WeakPolarHBondContact O-CB 3.28Å; E368-Q372 PolarHBondContact O-N 3.13Å
369	A	97.4	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-55.9	-44.3	172.1	0	0	0	0	0	111.4	S357 Q360 V361 D365 L366 Q372 H373 L415	S357-A369 WeakPolarHBondContact O-CB 3.22Å; Q360-A369 HydrophobicContact CB-CB 3.78Å; Q360-A369 VanDerWaalsContact OE1-N 3.09Å; V361-A369 HydrophobicContact CG2-CB 3.7Å; D365-A369 PolarHBondContact O-N 3.36Å; L366-A369 PolarHBondContact O-N 2.81Å; A369-Q372 PolarHBondContact O-N 3.13Å; A369-H373 WeakPolarHBondContact O-CB 3.03Å; A369-H373 PolarHBondContact O-N 2.89Å; A369-L415 HydrophobicContact CB-CD2 3.78Å; A369-L415 HydrophobicContact CB-CG 4.48Å
370	I	96.3	Very high	96.9	Very high	8 Å²	8	20 Å²	20	4%	0.041	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-47.7	176.3	-70.4	164.2	0	0	0	111.1	L366 E368 A374 L415 Y424 P561 L562	L366-I370 HydrophobicContact CG-CD1 4.08Å; L366-I370 WeakPolarHBondContact O-CD1 3.47Å; L366-I370 VanDerWaalsContact O-CG1 3.24Å; L366-I370 WeakPolarHBondContact O-CG1 3.42Å; L366-I370 PolarHBondContact O-N 3.32Å; E368-I370 VanDerWaalsContact C-N 3.27Å; E368-I370 PolarHBondContact O-N 2.92Å; I370-A374 WeakPolarHBondContact O-CB 3.27Å; I370-A374 PolarHBondContact O-N 3.16Å; I370-L415 HydrophobicContact CG1-CD2 3.99Å; I370-Y424 WeakPolarHBondContact CG1-OH 3.16Å; I370-P561 HydrophobicContact CB-CB 4.44Å; I370-P561 HydrophobicContact CD1-CB 4.02Å; I370-P561 HydrophobicContact CG1-CB 4.02Å; I370-P561 HydrophobicContact CG2-CB 3.56Å; I370-L562 HydrophobicContact CG2-CB 4.18Å
371	C	95.7	Very high	96.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-66	-45	-179.8	-99.6	0	0	0	0	112.6	C324 H331 P332 E367 E368 A374 L375	C324-C371 WeakPolarHBondContact CA-SG 3.31Å; C324-C371 HydrophobicContact CB-CB 3.82Å; C324-C371 WeakPolarHBondContact CB-SG 3.13Å; C324-C371 WeakPolarHBondContact SG-CB 3.47Å; C324-C371 CovalentContact SG-SG 2.01Å; C324-C371 PolarHBondContact SG-SG 3.15Å; H331-C371 PolarHBondContact CE1-O 2.78Å; H331-C371 PolarHBondContact NE2-O 3.09Å; P332-C371 HydrophobicContact CB-CB 4.47Å; P332-C371 HydrophobicContact CG-CB 4.32Å; E367-C371 PolarHBondContact O-N 3.28Å; E367-C371 VanDerWaalsContact O-N 3.15Å; E368-C371 PolarHBondContact O-N 2.84Å; E368-C371 VanDerWaalsContact O-N 3.15Å; C371-A374 PolarHBondContact O-N 3.45Å; C371-L375 PolarHBondContact O-N 3.38Å
372	Q	97.2	Very high	96.8	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.033	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-48.1	179.4	-176.8	164.8	-13.4	0	0	110.5	Y334 Q353 S357 E368 A369 A374 L375 Y376	Y334-Q372 VanDerWaalsContact CE2-OE1 3.29Å; Q353-Q372 PolarHBondContact O-NE2 3.03Å; S357-Q372 WeakPolarHBondContact OG-CG 3.31Å; E368-Q372 WeakPolarHBondContact O-CB 3.28Å; E368-Q372 PolarHBondContact O-N 3.13Å; A369-Q372 PolarHBondContact O-N 3.13Å; Q372-A374 VanDerWaalsContact C-N 3.32Å; Q372-A374 PolarHBondContact O-N 2.94Å; Q372-L375 WeakPolarHBondContact O-CB 3.35Å; Q372-L375 PolarHBondContact O-N 2.87Å; Q372-L375 VanDerWaalsContact O-N 3.15Å; Q372-Y376 HydrophobicContact CG-CD2 4.26Å; Q372-Y376 HydrophobicContact CG-CE2 3.94Å; Q372-Y376 VanDerWaalsContact O-CD2 3.27Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.21Å; Q372-Y376 PolarHBondContact O-N 2.72Å
373	H	98.2	Very high	96.9	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-57.9	-41.3	176.4	179.5	-87	0	0	0	113.1	A369 L375 Y376 Y377 F408 T412 L415 Y424	A369-H373 WeakPolarHBondContact O-CB 3.03Å; A369-H373 PolarHBondContact O-N 2.89Å; H373-L375 VanDerWaalsContact C-N 3.26Å; H373-L375 PolarHBondContact O-N 3.42Å; H373-Y376 PolarHBondContact O-N 3.25Å; H373-Y376 VanDerWaalsContact O-N 3.13Å; H373-Y377 PolarHBondContact O-N 2.83Å; H373-F408 AromaticContact CD2-CE2 3.52Å; H373-F408 AromaticContact CE1-CE2 3.8Å; H373-F408 AromaticContact NE2-CE2 3.26Å; H373-F408 VanDerWaalsContact NE2-CE2 3.26Å; H373-F408 WeakPolarHBondContact NE2-CE2 3.46Å; H373-F408 AromaticContact NE2-CZ 3.76Å; H373-T412 PolarHBondContact NE2-OG1 3.26Å; H373-L415 HydrophobicContact CB-CD1 3.31Å; H373-Y424 AromaticContact CE1-CD1 3.75Å; H373-Y424 AromaticContact CE1-CE1 3.73Å; H373-Y424 AromaticContact ND1-CE1 3.6Å
374	A	97.2	Very high	96.9	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-36.4	178.1	0	0	0	0	0	112.8	I370 C371 Q372 Y377 T378 L562 M567 L570	I370-A374 WeakPolarHBondContact O-CB 3.27Å; I370-A374 PolarHBondContact O-N 3.16Å; C371-A374 PolarHBondContact O-N 3.45Å; Q372-A374 VanDerWaalsContact C-N 3.32Å; Q372-A374 PolarHBondContact O-N 2.94Å; A374-Y377 PolarHBondContact O-N 3.17Å; A374-T378 PolarHBondContact O-N 3.07Å; A374-T378 PolarHBondContact O-OG1 3.48Å; A374-L562 HydrophobicContact CB-CD2 4.16Å; A374-M567 HydrophobicContact CB-SD 4.03Å; A374-L570 HydrophobicContact CB-CD2 3.98Å; A374-L570 WeakPolarHBondContact O-CD2 3.24Å
375	L	97.3	Very high	97	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.058	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-50.5	175.1	176.5	61.3	0	0	0	111.2	L333 I349 C371 Q372 H373 Y377 T378 I379 L570 L574	L333-L375 HydrophobicContact CB-CD2 3.84Å; I349-L375 HydrophobicContact CD1-CD2 3.66Å; I349-L375 HydrophobicContact CD1-CG 4.2Å; C371-L375 PolarHBondContact O-N 3.38Å; Q372-L375 WeakPolarHBondContact O-CB 3.35Å; Q372-L375 PolarHBondContact O-N 2.87Å; Q372-L375 VanDerWaalsContact O-N 3.15Å; H373-L375 VanDerWaalsContact C-N 3.26Å; H373-L375 PolarHBondContact O-N 3.42Å; L375-Y377 VanDerWaalsContact C-N 3.33Å; L375-Y377 PolarHBondContact O-N 2.72Å; L375-T378 PolarHBondContact O-N 3.36Å; L375-I379 HydrophobicContact CD1-CD1 4.28Å; L375-I379 HydrophobicContact CG-CD1 4.18Å; L375-I379 WeakPolarHBondContact O-CG1 3.11Å; L375-I379 PolarHBondContact O-N 2.89Å; L375-L570 HydrophobicContact CD1-CD1 3.94Å; L375-L574 HydrophobicContact CD1-CD1 3.9Å
376	Y	98.5	Very high	97.1	Very high	3 Å²	3	17.8 Å²	17.8	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-35.4	179	-71.5	-77.4	0	0	0	112.4	I349 D350 Q353 A354 Q372 H373 I379 W380 L386	I349-Y376 HydrophobicContact CD1-CE1 4.12Å; D350-Y376 WeakPolarHBondContact O-CE1 3.44Å; D350-Y376 PolarHBondContact O-OH 2.85Å; Q353-Y376 WeakPolarHBondContact CB-OH 3.39Å; Q353-Y376 VanDerWaalsContact CD-OH 3.31Å; Q353-Y376 WeakPolarHBondContact CG-OH 3.5Å; Q353-Y376 PolarHBondContact OE1-OH 3.3Å; A354-Y376 HydrophobicContact CB-CD1 3.8Å; A354-Y376 HydrophobicContact CB-CD2 4.03Å; A354-Y376 HydrophobicContact CB-CE1 3.97Å; A354-Y376 HydrophobicContact CB-CE2 4.22Å; A354-Y376 HydrophobicContact CB-CG 3.84Å; Q372-Y376 HydrophobicContact CG-CD2 4.26Å; Q372-Y376 HydrophobicContact CG-CE2 3.94Å; Q372-Y376 VanDerWaalsContact O-CD2 3.27Å; Q372-Y376 WeakPolarHBondContact O-CD2 3.21Å; Q372-Y376 PolarHBondContact O-N 2.72Å; H373-Y376 PolarHBondContact O-N 3.25Å; H373-Y376 VanDerWaalsContact O-N 3.13Å; Y376-I379 PolarHBondContact O-N 3.45Å; Y376-W380 WeakPolarHBondContact O-CB 3.39Å; Y376-W380 PolarHBondContact O-N 2.73Å; Y376-L386 HydrophobicContact CD1-CD1 3.75Å; Y376-L386 HydrophobicContact CD1-CD2 3.76Å; Y376-L386 HydrophobicContact CD1-CG 4.4Å; Y376-L386 HydrophobicContact CE1-CD1 4.46Å; Y376-L386 HydrophobicContact CE1-CD2 4.29Å
377	Y	98.2	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-48.1	171.3	174.1	-110.8	0	0	0	112.2	F33 H373 A374 L375 I379 W380 R381 F408 F423 V427 E430 M567	F33-Y377 VanDerWaalsContact CZ-OH 3.24Å; F33-Y377 WeakPolarHBondContact CZ-OH 3.34Å; H373-Y377 PolarHBondContact O-N 2.83Å; A374-Y377 PolarHBondContact O-N 3.17Å; L375-Y377 VanDerWaalsContact C-N 3.33Å; L375-Y377 PolarHBondContact O-N 2.72Å; Y377-I379 VanDerWaalsContact C-N 3.3Å; Y377-I379 PolarHBondContact O-N 2.89Å; Y377-W380 WeakPolarHBondContact O-CB 3.44Å; Y377-W380 PolarHBondContact O-N 2.91Å; Y377-R381 HydrophobicContact CD1-CG 4.37Å; Y377-R381 HydrophobicContact CD2-CG 4.24Å; Y377-R381 HydrophobicContact CE1-CG 3.89Å; Y377-R381 HydrophobicContact CE2-CG 3.74Å; Y377-R381 WeakPolarHBondContact O-CG 3.37Å; Y377-R381 PolarHBondContact O-N 2.97Å; Y377-R381 WeakPolarHBondContact OH-CD 3.26Å; Y377-F408 VanDerWaalsContact CA-CZ 3.42Å; Y377-F408 HydrophobicContact CD2-CZ 4.35Å; Y377-F423 HydrophobicContact CD1-CE2 4.21Å; Y377-F423 AromaticContact CD1-CZ 3.7Å; Y377-F423 HydrophobicContact CD1-CZ 3.7Å; Y377-F423 HydrophobicContact CD2-CZ 4.39Å; Y377-F423 AromaticContact CE1-CE2 3.95Å; Y377-F423 HydrophobicContact CE1-CE2 3.95Å; Y377-F423 AromaticContact CE1-CZ 3.92Å; Y377-F423 HydrophobicContact CE1-CZ 3.92Å; Y377-F423 AromaticContact CG-CZ 3.94Å; Y377-F423 HydrophobicContact CG-CZ 3.94Å; Y377-V427 HydrophobicContact CD2-CB 4.28Å; Y377-V427 HydrophobicContact CD2-CG1 3.95Å; Y377-V427 HydrophobicContact CD2-CG2 3.53Å; Y377-V427 HydrophobicContact CE2-CB 4.42Å; Y377-V427 HydrophobicContact CE2-CG1 4.45Å; Y377-V427 HydrophobicContact CE2-CG2 3.65Å; Y377-V427 HydrophobicContact CG-CG2 4.25Å; Y377-E430 VanDerWaalsContact CE2-OE2 3.25Å; Y377-E430 WeakPolarHBondContact CE2-OE2 3.36Å; Y377-E430 PolarHBondContact OH-OE1 3.33Å; Y377-E430 PolarHBondContact OH-OE2 2.96Å; Y377-M567 HydrophobicContact CD1-CE 3.84Å; Y377-M567 HydrophobicContact CE1-CE 3.97Å
378	T	97.7	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.8	-34.8	178.6	-58.8	0	0	0	0	111.9	A374 L375 R381 K382 L570 H571 L574 V576	A374-T378 PolarHBondContact O-N 3.07Å; A374-T378 PolarHBondContact O-OG1 3.48Å; L375-T378 PolarHBondContact O-N 3.36Å; T378-R381 PolarHBondContact O-N 3.08Å; T378-K382 PolarHBondContact O-N 2.67Å; T378-L570 HydrophobicContact CG2-CG 4.24Å; T378-L570 WeakPolarHBondContact OG1-CD2 3.18Å; T378-L570 WeakPolarHBondContact OG1-CG 2.97Å; T378-H571 PolarHBondContact OG1-CD2 2.97Å; T378-H571 VanDerWaalsContact OG1-CD2 3.31Å; T378-H571 PolarHBondContact OG1-NE2 3.41Å; T378-L574 HydrophobicContact CG2-CB 4.08Å; T378-L574 HydrophobicContact CG2-CD1 3.79Å; T378-L574 HydrophobicContact CG2-CG 4.38Å; T378-V576 HydrophobicContact CG2-CB 4.08Å; T378-V576 HydrophobicContact CG2-CG2 3.82Å
379	I	98.2	Very high	97.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-45.3	172.8	-62.6	164.1	0	0	0	110.7	I349 L375 Y376 Y377 R381 K382 Y383 L386 P387 F390 L574	I349-I379 HydrophobicContact CD1-CD1 3.9Å; L375-I379 HydrophobicContact CD1-CD1 4.28Å; L375-I379 HydrophobicContact CG-CD1 4.18Å; L375-I379 WeakPolarHBondContact O-CG1 3.11Å; L375-I379 PolarHBondContact O-N 2.89Å; Y376-I379 PolarHBondContact O-N 3.45Å; Y377-I379 VanDerWaalsContact C-N 3.3Å; Y377-I379 PolarHBondContact O-N 2.89Å; I379-R381 VanDerWaalsContact C-N 3.31Å; I379-R381 PolarHBondContact O-N 2.8Å; I379-K382 VanDerWaalsContact O-CB 3.32Å; I379-K382 WeakPolarHBondContact O-CB 3.16Å; I379-K382 PolarHBondContact O-N 2.86Å; I379-Y383 HydrophobicContact CG2-CD2 4.08Å; I379-Y383 HydrophobicContact CG2-CE2 4.29Å; I379-Y383 WeakPolarHBondContact O-CD2 3.26Å; I379-Y383 PolarHBondContact O-N 2.76Å; I379-L386 HydrophobicContact CB-CD1 4.06Å; I379-L386 HydrophobicContact CG2-CD1 3.66Å; I379-P387 HydrophobicContact CG2-CG 4.16Å; I379-F390 HydrophobicContact CD1-CB 4.21Å; I379-F390 HydrophobicContact CD1-CD1 3.46Å; I379-F390 VanDerWaalsContact CD1-CD1 3.46Å; I379-F390 HydrophobicContact CD1-CE1 3.92Å; I379-F390 HydrophobicContact CD1-CG 3.86Å; I379-F390 HydrophobicContact CG1-CD1 3.87Å; I379-F390 HydrophobicContact CG1-CE1 3.89Å; I379-F390 HydrophobicContact CG1-CG 4.18Å; I379-F390 HydrophobicContact CG1-CZ 4.23Å; I379-F390 HydrophobicContact CG2-CB 4.44Å; I379-F390 HydrophobicContact CG2-CD2 3.99Å; I379-F390 HydrophobicContact CG2-CE2 4.42Å; I379-F390 HydrophobicContact CG2-CG 4.11Å; I379-L574 HydrophobicContact CG1-CD1 3.97Å
380	W	98.5	Very high	97.8	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-55.1	-48.3	175.3	-175.2	-79.2	0	0	0	111.1	Y376 Y377 K382 Y383 D384 L386 Y402 F408 I431 S434 I435	Y376-W380 WeakPolarHBondContact O-CB 3.39Å; Y376-W380 PolarHBondContact O-N 2.73Å; Y377-W380 WeakPolarHBondContact O-CB 3.44Å; Y377-W380 PolarHBondContact O-N 2.91Å; W380-K382 PolarHBondContact O-N 2.76Å; W380-K382 VanDerWaalsContact O-N 3.16Å; W380-Y383 PolarHBondContact O-N 3.47Å; W380-Y383 VanDerWaalsContact O-N 3.07Å; W380-D384 WeakPolarHBondContact O-CA 3.36Å; W380-D384 PolarHBondContact O-N 3.35Å; W380-L386 HydrophobicContact CE3-CB 4.06Å; W380-L386 HydrophobicContact CZ3-CB 4.32Å; W380-Y402 HydrophobicContact CH2-CE1 4.16Å; W380-Y402 AromaticContact CH2-CZ 3.84Å; W380-Y402 WeakPolarHBondContact CH2-OH 3.46Å; W380-Y402 HydrophobicContact CZ3-CE1 4.45Å; W380-Y402 HydrophobicContact CZ3-CE2 4.2Å; W380-Y402 AromaticContact CZ3-CZ 3.83Å; W380-F408 HydrophobicContact CB-CD1 4.45Å; W380-F408 HydrophobicContact CB-CE1 3.87Å; W380-F408 HydrophobicContact CD2-CD1 4.15Å; W380-F408 HydrophobicContact CD2-CE1 4.1Å; W380-F408 AromaticContact CE3-CD1 3.62Å; W380-F408 HydrophobicContact CE3-CD1 3.62Å; W380-F408 HydrophobicContact CE3-CE1 4.04Å; W380-F408 HydrophobicContact CG-CD1 4.5Å; W380-F408 HydrophobicContact CG-CE1 4.03Å; W380-F408 HydrophobicContact CZ3-CD1 4.25Å; W380-I431 HydrophobicContact CD2-CG1 4.06Å; W380-I431 HydrophobicContact CE3-CG1 4.39Å; W380-I431 HydrophobicContact CH2-CB 4.27Å; W380-I431 HydrophobicContact CH2-CG1 4.04Å; W380-I431 HydrophobicContact CH2-CG2 3.79Å; W380-I431 HydrophobicContact CZ2-CB 3.87Å; W380-I431 HydrophobicContact CZ2-CG1 3.69Å; W380-I431 HydrophobicContact CZ2-CG2 3.84Å; W380-I431 HydrophobicContact CZ3-CG1 4.37Å; W380-S434 PolarHBondContact NE1-OG 2.86Å; W380-I435 HydrophobicContact CH2-CG1 4.47Å
381	R	97.1	Very high	97.8	Very high	71 Å²	71	17.8 Å²	17.8	27%	0.268	8%	0.077	S	C	.	.	H	α-helix	trans	-56.7	-29.5	176.8	-75.8	-62.4	-51.3	175.3	4.6	113.7	Y377 T378 I379 E430 V576	Y377-R381 HydrophobicContact CD1-CG 4.37Å; Y377-R381 HydrophobicContact CD2-CG 4.24Å; Y377-R381 HydrophobicContact CE1-CG 3.89Å; Y377-R381 HydrophobicContact CE2-CG 3.74Å; Y377-R381 WeakPolarHBondContact O-CG 3.37Å; Y377-R381 PolarHBondContact O-N 2.97Å; Y377-R381 WeakPolarHBondContact OH-CD 3.26Å; T378-R381 PolarHBondContact O-N 3.08Å; I379-R381 VanDerWaalsContact C-N 3.31Å; I379-R381 PolarHBondContact O-N 2.8Å; R381-E430 WeakPolarHBondContact CD-OE2 3.26Å; R381-E430 IonicContact CZ-OE1 2.74Å; R381-E430 IonicContact NE-OE2 3.92Å; R381-E430 IonicContact NH1-OE1 3.95Å; R381-E430 PolarHBondContact NH1-OE1 3.32Å; R381-E430 IonicContact NH1-OE2 2.98Å; R381-E430 PolarHBondContact NH1-OE2 2.78Å; R381-V576 HydrophobicContact CB-CG1 3.83Å
382	K	97.3	Very high	97.8	Very high	58 Å²	58	21 Å²	21	25%	0.252	9%	0.09	S	C	.	.	H	α-helix	trans	-74.2	-33.3	178.7	-166.4	168	-175.2	171.4	0	112.5	T378 I379 W380 K395 L574 V576	T378-K382 PolarHBondContact O-N 2.67Å; I379-K382 VanDerWaalsContact O-CB 3.32Å; I379-K382 WeakPolarHBondContact O-CB 3.16Å; I379-K382 PolarHBondContact O-N 2.86Å; W380-K382 PolarHBondContact O-N 2.76Å; W380-K382 VanDerWaalsContact O-N 3.16Å; K382-K395 PolarHBondContact NZ-O 3.38Å; K382-L574 PolarHBondContact NZ-O 3.24Å; K382-V576 HydrophobicContact CB-CG1 4.49Å; K382-V576 HydrophobicContact CB-CG2 3.7Å; K382-V576 HydrophobicContact CD-CG2 3.85Å; K382-V576 HydrophobicContact CG-CG2 3.93Å
383	Y	98	Very high	97.7	Very high	26 Å²	26	25.7 Å²	25.7	10%	0.102	11%	0.111	C	C	.	.	H	α-helix	trans	-124.1	-4.2	-167.9	-60.3	-67.6	0	0	0	115.3	I379 W380 G385 P387 F390 K395 P397 V451 K454	I379-Y383 HydrophobicContact CG2-CD2 4.08Å; I379-Y383 HydrophobicContact CG2-CE2 4.29Å; I379-Y383 WeakPolarHBondContact O-CD2 3.26Å; I379-Y383 PolarHBondContact O-N 2.76Å; W380-Y383 PolarHBondContact O-N 3.47Å; W380-Y383 VanDerWaalsContact O-N 3.07Å; Y383-G385 WeakPolarHBondContact CB-O 3.15Å; Y383-G385 PolarHBondContact O-N 3.42Å; Y383-P387 HydrophobicContact CD2-CG 4.34Å; Y383-F390 AromaticContact CE2-CD2 3.97Å; Y383-F390 HydrophobicContact CE2-CD2 3.97Å; Y383-F390 AromaticContact CE2-CE2 3.71Å; Y383-F390 HydrophobicContact CE2-CE2 3.71Å; Y383-K395 PolarHBondContact OH-O 3.13Å; Y383-P397 HydrophobicContact CD1-CG 4.49Å; Y383-P397 HydrophobicContact CE1-CG 3.99Å; Y383-P397 HydrophobicContact CE2-CG 4.12Å; Y383-P397 WeakPolarHBondContact OH-CD 3.26Å; Y383-V451 HydrophobicContact CD1-CG2 4.17Å; Y383-V451 HydrophobicContact CG-CG2 3.96Å; Y383-K454 WeakPolarHBondContact O-CE 3.48Å; Y383-K454 PolarHBondContact O-NZ 3.26Å
384	D	97.7	Very high	97.6	Very high	50 Å²	50	28.9 Å²	28.9	27%	0.267	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	38.5	-170	-75.6	-47.3	0	0	0	112.3	W380 S434 R437 H438	W380-D384 WeakPolarHBondContact O-CA 3.36Å; W380-D384 PolarHBondContact O-N 3.35Å; D384-S434 WeakPolarHBondContact O-CB 3.39Å; D384-S434 PolarHBondContact OD1-OG 3.03Å; D384-R437 IonicContact OD2-NH1 2.76Å; D384-H438 IonicContact OD2-NE2 2.73Å
385	G	97.8	Very high	97.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	166.2	157.6	-175.2	0	0	0	0	0	109.8	Y383	Y383-G385 WeakPolarHBondContact CB-O 3.15Å; Y383-G385 PolarHBondContact O-N 3.42Å
386	L	98.2	Very high	97.6	Very high	5 Å²	5	33 Å²	33	3%	0.026	16%	0.156	C	C	.	.			trans	-100	111.8	178.6	-171.1	63.8	0	0	0	109.5	A354 Y376 I379 W380 Y402 F408	A354-L386 HydrophobicContact CB-CD2 4.21Å; Y376-L386 HydrophobicContact CD1-CD1 3.75Å; Y376-L386 HydrophobicContact CD1-CD2 3.76Å; Y376-L386 HydrophobicContact CD1-CG 4.4Å; Y376-L386 HydrophobicContact CE1-CD1 4.46Å; Y376-L386 HydrophobicContact CE1-CD2 4.29Å; I379-L386 HydrophobicContact CB-CD1 4.06Å; I379-L386 HydrophobicContact CG2-CD1 3.66Å; W380-L386 HydrophobicContact CE3-CB 4.06Å; W380-L386 HydrophobicContact CZ3-CB 4.32Å; L386-Y402 HydrophobicContact CB-CD2 4.44Å; L386-Y402 HydrophobicContact CB-CE2 4.48Å; L386-Y402 WeakPolarHBondContact O-CB 3.13Å; L386-Y402 WeakPolarHBondContact O-CD2 3.4Å; L386-F408 HydrophobicContact CD2-CB 4.14Å
387	P	98.6	Very high	97.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.162	C	C	.	.			trans	-60.7	146.5	174.2	26.3	-34.6	0	0	0	110.6	I379 Y383 R389 F390 P397 V399 F401 V451	I379-P387 HydrophobicContact CG2-CG 4.16Å; Y383-P387 HydrophobicContact CD2-CG 4.34Å; P387-R389 PolarHBondContact O-N 2.92Å; P387-F390 HydrophobicContact CG-CB 4.07Å; P387-F390 HydrophobicContact CG-CD2 4.25Å; P387-P397 HydrophobicContact CB-CB 3.72Å; P387-P397 HydrophobicContact CB-CG 4.04Å; P387-P397 HydrophobicContact CG-CB 4.19Å; P387-P397 HydrophobicContact CG-CG 4.14Å; P387-V399 WeakPolarHBondContact CB-O 3.35Å; P387-F401 CarbonylContact C-O 3.52Å; P387-V451 HydrophobicContact CB-CG2 3.81Å; P387-V451 HydrophobicContact CG-CG2 4.32Å
388	E	98.3	Very high	97.6	Very high	28 Å²	28	38.3 Å²	38.3	13%	0.131	18%	0.183	C	C	.	.	S	Bend	trans	-56.5	-36.5	179.7	-173.4	65.7	-180	0	0	112.4	D350 S351 L352 V399 F401 R405	D350-E388 WeakPolarHBondContact CA-O 3.33Å; D350-E388 WeakPolarHBondContact CB-O 2.86Å; S351-E388 PolarHBondContact N-O 2.92Å; S351-E388 VanDerWaalsContact N-O 3.08Å; S351-E388 PolarHBondContact OG-OE2 3.11Å; L352-E388 WeakPolarHBondContact CD1-OE1 3.23Å; E388-V399 HydrophobicContact CB-CB 4Å; E388-V399 HydrophobicContact CB-CG1 3.71Å; E388-V399 HydrophobicContact CG-CG1 4.14Å; E388-V399 PolarHBondContact N-O 2.86Å; E388-V399 VanDerWaalsContact N-O 3.09Å; E388-F401 HydrophobicContact CB-CB 4.3Å; E388-F401 WeakPolarHBondContact CB-O 3.41Å; E388-F401 PolarHBondContact N-O 3.15Å; E388-R405 IonicContact OE1-CZ 3.37Å; E388-R405 IonicContact OE1-NE 3.21Å; E388-R405 PolarHBondContact OE1-NE 2.81Å; E388-R405 IonicContact OE1-NH2 3.5Å; E388-R405 PolarHBondContact OE1-NH2 3.21Å; E388-R405 IonicContact OE2-CZ 2.68Å; E388-R405 IonicContact OE2-NE 4Å; E388-R405 PolarHBondContact OE2-NE 2.67Å; E388-R405 IonicContact OE2-NH2 2.67Å
389	R	98.3	Very high	97.6	Very high	90 Å²	90	40.8 Å²	40.8	34%	0.34	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.9	168.7	-66.4	-175.1	-179.8	156.6	3	110.9	W348 I349 D350 P387 P397 E398 V399	W348-R389 HydrophobicContact CB-CB 4.46Å; W348-R389 HydrophobicContact CD2-CG 4.45Å; W348-R389 HydrophobicContact CE3-CG 4.12Å; I349-R389 CarbonylContact O-C 3.6Å; I349-R389 WeakPolarHBondContact O-CA 3.43Å; D350-R389 HydrophobicContact CB-CG 4.12Å; P387-R389 PolarHBondContact O-N 2.92Å; R389-P397 CarbonylContact O-C 3.37Å; R389-P397 WeakPolarHBondContact O-CA 3.22Å; R389-E398 HydrophobicContact CB-CB 4.17Å; R389-E398 PolarHBondContact O-N 3.24Å; R389-V399 HydrophobicContact CB-CB 3.97Å; R389-V399 HydrophobicContact CB-CG2 4Å; R389-V399 HydrophobicContact CG-CB 4.27Å; R389-V399 HydrophobicContact CG-CG2 4.08Å; R389-V399 PolarHBondContact N-O 2.96Å; R389-V399 VanDerWaalsContact N-O 3.16Å; R389-V399 PolarHBondContact O-N 2.78Å
390	F	98.5	Very high	97.6	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.2	175.1	-177.7	-102.7	0	0	0	110.6	W348 I349 I379 Y383 P387 W392 K395 L574	W348-F390 CarbonylContact C-O 3.59Å; W348-F390 VanDerWaalsContact CA-O 3.26Å; W348-F390 WeakPolarHBondContact CA-O 3.43Å; I349-F390 HydrophobicContact CG1-CB 4.31Å; I349-F390 PolarHBondContact N-O 2.99Å; I349-F390 PolarHBondContact O-N 3.44Å; I379-F390 HydrophobicContact CD1-CB 4.21Å; I379-F390 HydrophobicContact CD1-CD1 3.46Å; I379-F390 VanDerWaalsContact CD1-CD1 3.46Å; I379-F390 HydrophobicContact CD1-CE1 3.92Å; I379-F390 HydrophobicContact CD1-CG 3.86Å; I379-F390 HydrophobicContact CG1-CD1 3.87Å; I379-F390 HydrophobicContact CG1-CE1 3.89Å; I379-F390 HydrophobicContact CG1-CG 4.18Å; I379-F390 HydrophobicContact CG1-CZ 4.23Å; I379-F390 HydrophobicContact CG2-CB 4.44Å; I379-F390 HydrophobicContact CG2-CD2 3.99Å; I379-F390 HydrophobicContact CG2-CE2 4.42Å; I379-F390 HydrophobicContact CG2-CG 4.11Å; Y383-F390 AromaticContact CE2-CD2 3.97Å; Y383-F390 HydrophobicContact CE2-CD2 3.97Å; Y383-F390 AromaticContact CE2-CE2 3.71Å; Y383-F390 HydrophobicContact CE2-CE2 3.71Å; P387-F390 HydrophobicContact CG-CB 4.07Å; P387-F390 HydrophobicContact CG-CD2 4.25Å; F390-W392 HydrophobicContact CD1-CB 4.44Å; F390-W392 HydrophobicContact CE1-CB 4.28Å; F390-K395 VanDerWaalsContact CE2-C 3.47Å; F390-K395 HydrophobicContact CZ-CB 4.42Å; F390-L574 HydrophobicContact CE1-CD1 4.48Å; F390-L574 HydrophobicContact CE1-CD2 3.96Å; F390-L574 HydrophobicContact CZ-CD2 4.1Å
391	N	98.1	Very high	97.5	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.07	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	114	172.6	-174.4	-45.6	0	0	0	110.2	S347 Q393 S394 K395 S396 E398	S347-N391 CarbonylContact O-C 3.41Å; S347-N391 VanDerWaalsContact O-CA 3.26Å; S347-N391 WeakPolarHBondContact O-CA 3.24Å; S347-N391 PolarHBondContact O-OD1 3.49Å; S347-N391 PolarHBondContact OG-ND2 3.46Å; S347-N391 PolarHBondContact OG-OD1 2.85Å; N391-Q393 VanDerWaalsContact C-N 3.31Å; N391-Q393 PolarHBondContact O-N 2.9Å; N391-Q393 WeakPolarHBondContact OD1-CA 3.33Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.41Å; N391-Q393 PolarHBondContact OD1-N 2.88Å; N391-S394 VanDerWaalsContact CB-OG 3.3Å; N391-S394 WeakPolarHBondContact CB-OG 3.33Å; N391-S394 VanDerWaalsContact CG-OG 3.29Å; N391-S394 PolarHBondContact OD1-N 3.39Å; N391-S394 PolarHBondContact OD1-OG 3.39Å; N391-K395 WeakPolarHBondContact O-CA 3.28Å; N391-K395 PolarHBondContact O-N 3.45Å; N391-S396 PolarHBondContact N-O 3.44Å; N391-S396 PolarHBondContact O-N 2.86Å; N391-E398 HydrophobicContact CB-CG 3.95Å; N391-E398 PolarHBondContact ND2-OE1 3.49Å
392	W	94.9	Very high	97.6	Very high	69 Å²	69	40.9 Å²	40.9	26%	0.261	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.5	-175.6	59.3	-98	0	0	0	113.6	L333 V335 F344 S347 F390	L333-W392 HydrophobicContact CD1-CD2 3.91Å; L333-W392 HydrophobicContact CD1-CG 3.89Å; L333-W392 HydrophobicContact CD1-CZ2 4.39Å; V335-W392 HydrophobicContact CG1-CZ2 4.12Å; F344-W392 AromaticContact CE2-CZ2 3.62Å; F344-W392 HydrophobicContact CE2-CZ2 3.62Å; F344-W392 AromaticContact CZ-CZ2 3.8Å; F344-W392 HydrophobicContact CZ-CZ2 3.8Å; S347-W392 PolarHBondContact O-N 3.15Å; S347-W392 PolarHBondContact O-NE1 3.45Å; S347-W392 VanDerWaalsContact O-NE1 3.13Å; F390-W392 HydrophobicContact CD1-CB 4.44Å; F390-W392 HydrophobicContact CE1-CB 4.28Å
393	Q	94.6	Very high	97.6	Very high	105 Å²	105	38.3 Å²	38.3	49%	0.491	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-49.7	173.7	-69	-177.4	1	0	0	111.8	S347 N391	S347-Q393 VanDerWaalsContact CB-CD 3.43Å; N391-Q393 VanDerWaalsContact C-N 3.31Å; N391-Q393 PolarHBondContact O-N 2.9Å; N391-Q393 WeakPolarHBondContact OD1-CA 3.33Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.41Å; N391-Q393 PolarHBondContact OD1-N 2.88Å
394	S	96.8	Very high	97.7	Very high	68 Å²	68	37 Å²	37	48%	0.476	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.5	175.1	68	0	0	0	0	112.9	N391 S396	N391-S394 VanDerWaalsContact CB-OG 3.3Å; N391-S394 WeakPolarHBondContact CB-OG 3.33Å; N391-S394 VanDerWaalsContact CG-OG 3.29Å; N391-S394 PolarHBondContact OD1-N 3.39Å; N391-S394 PolarHBondContact OD1-OG 3.39Å; S394-S396 PolarHBondContact O-N 3.25Å; S394-S396 PolarHBondContact OG-OG 2.87Å
395	K	96.4	Very high	97.7	Very high	54 Å²	54	36.9 Å²	36.9	24%	0.235	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	35.4	179.2	-47.2	172.2	-171.9	-174.3	0	112.6	K382 Y383 F390 N391 S573 L574 E575	K382-K395 PolarHBondContact NZ-O 3.38Å; Y383-K395 PolarHBondContact OH-O 3.13Å; F390-K395 VanDerWaalsContact CE2-C 3.47Å; F390-K395 HydrophobicContact CZ-CB 4.42Å; N391-K395 WeakPolarHBondContact O-CA 3.28Å; N391-K395 PolarHBondContact O-N 3.45Å; K395-S573 VanDerWaalsContact CD-O 3.28Å; K395-S573 WeakPolarHBondContact CD-O 3.34Å; K395-S573 WeakPolarHBondContact CE-O 3.3Å; K395-S573 PolarHBondContact NZ-O 2.97Å; K395-L574 HydrophobicContact CG-CD2 4.49Å; K395-E575 HydrophobicContact CD-CG 4.19Å; K395-E575 WeakPolarHBondContact CD-OE1 3.44Å; K395-E575 IonicContact NZ-OE1 2.74Å; K395-E575 PolarHBondContact NZ-OE1 3.49Å
396	S	97.7	Very high	97.7	Very high	45 Å²	45	37 Å²	37	32%	0.315	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.7	-173.1	65.1	0	0	0	0	111.8	N391 S394 E398	N391-S396 PolarHBondContact N-O 3.44Å; N391-S396 PolarHBondContact O-N 2.86Å; S394-S396 PolarHBondContact O-N 3.25Å; S394-S396 PolarHBondContact OG-OG 2.87Å; S396-E398 PolarHBondContact O-N 2.01Å
397	P	98.3	Very high	97.8	Very high	20 Å²	20	37.9 Å²	37.9	13%	0.13	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.8	171.5	-19.6	35.3	0	0	0	110.7	Y383 P387 R389 A400 V451 I452	Y383-P397 HydrophobicContact CD1-CG 4.49Å; Y383-P397 HydrophobicContact CE1-CG 3.99Å; Y383-P397 HydrophobicContact CE2-CG 4.12Å; Y383-P397 WeakPolarHBondContact OH-CD 3.26Å; P387-P397 HydrophobicContact CB-CB 3.72Å; P387-P397 HydrophobicContact CB-CG 4.04Å; P387-P397 HydrophobicContact CG-CB 4.19Å; P387-P397 HydrophobicContact CG-CG 4.14Å; R389-P397 CarbonylContact O-C 3.37Å; R389-P397 WeakPolarHBondContact O-CA 3.22Å; P397-A400 HydrophobicContact CB-CB 4Å; P397-V451 HydrophobicContact CG-CG2 4.12Å; P397-I452 HydrophobicContact CG-CD1 4.12Å; P397-I452 HydrophobicContact CG-CG1 4.13Å
398	E	97.5	Very high	97.8	Very high	95 Å²	95	38 Å²	38	44%	0.444	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-34.3	162.6	-87.2	-176.1	-156.6	0	0	110.9	R389 N391 S396	R389-E398 HydrophobicContact CB-CB 4.17Å; R389-E398 PolarHBondContact O-N 3.24Å; N391-E398 HydrophobicContact CB-CG 3.95Å; N391-E398 PolarHBondContact ND2-OE1 3.49Å; S396-E398 PolarHBondContact O-N 2.01Å
399	V	98.2	Very high	97.8	Very high	52 Å²	52	36.7 Å²	36.7	32%	0.315	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	104.4	171	-175.5	0	0	0	0	106.1	P387 E388 R389 F401	P387-V399 WeakPolarHBondContact CB-O 3.35Å; E388-V399 HydrophobicContact CB-CB 4Å; E388-V399 HydrophobicContact CB-CG1 3.71Å; E388-V399 HydrophobicContact CG-CG1 4.14Å; E388-V399 PolarHBondContact N-O 2.86Å; E388-V399 VanDerWaalsContact N-O 3.09Å; R389-V399 HydrophobicContact CB-CB 3.97Å; R389-V399 HydrophobicContact CB-CG2 4Å; R389-V399 HydrophobicContact CG-CB 4.27Å; R389-V399 HydrophobicContact CG-CG2 4.08Å; R389-V399 PolarHBondContact N-O 2.96Å; R389-V399 VanDerWaalsContact N-O 3.16Å; R389-V399 PolarHBondContact O-N 2.78Å; V399-F401 HydrophobicContact CG1-CB 3.98Å; V399-F401 PolarHBondContact O-N 2.97Å
400	A	98.3	Very high	97.8	Very high	22 Å²	22	32.5 Å²	32.5	18%	0.182	17%	0.168	C	C	.	.			trans	-77.6	-5.8	-173	0	0	0	0	0	114	P397 S450 V451 I452	P397-A400 HydrophobicContact CB-CB 4Å; A400-S450 CarbonylContact O-C 3.32Å; A400-S450 WeakPolarHBondContact O-CA 3.35Å; A400-V451 HydrophobicContact CB-CG2 4.44Å; A400-V451 WeakPolarHBondContact O-CG1 3.4Å; A400-V451 WeakPolarHBondContact O-CG2 3.3Å; A400-V451 PolarHBondContact O-N 3.02Å; A400-I452 HydrophobicContact CB-CD1 4.41Å; A400-I452 HydrophobicContact CB-CG1 4.45Å
401	F	97.4	Very high	97.8	Very high	51 Å²	51	32.4 Å²	32.4	22%	0.224	17%	0.167	C	C	.	.			trans	-60.6	140.5	-179.4	-175.7	-109.5	0	0	0	112.1	P387 E388 V399 P403 T447 H449	P387-F401 CarbonylContact C-O 3.52Å; E388-F401 HydrophobicContact CB-CB 4.3Å; E388-F401 WeakPolarHBondContact CB-O 3.41Å; E388-F401 PolarHBondContact N-O 3.15Å; V399-F401 HydrophobicContact CG1-CB 3.98Å; V399-F401 PolarHBondContact O-N 2.97Å; F401-P403 HydrophobicContact CD1-CB 4.28Å; F401-P403 HydrophobicContact CD1-CG 3.96Å; F401-P403 HydrophobicContact CE1-CB 3.48Å; F401-P403 VanDerWaalsContact CE1-CB 3.48Å; F401-P403 HydrophobicContact CE1-CG 3.48Å; F401-P403 VanDerWaalsContact CE1-CG 3.48Å; F401-P403 HydrophobicContact CZ-CB 3.79Å; F401-P403 HydrophobicContact CZ-CG 4.31Å; F401-T447 HydrophobicContact CD2-CG2 3.83Å; F401-T447 HydrophobicContact CE1-CG2 4.31Å; F401-T447 HydrophobicContact CE2-CG2 3.15Å; F401-T447 HydrophobicContact CZ-CG2 3.44Å; F401-T447 VanDerWaalsContact CZ-CG2 3.44Å; F401-H449 WeakPolarHBondContact CA-O 3.49Å
402	Y	98.6	Very high	97.9	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.016	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-139.6	100.5	171.4	171.3	-116.6	0	0	0	110.1	W380 L386 L404 R405 L448 V451	W380-Y402 HydrophobicContact CH2-CE1 4.16Å; W380-Y402 AromaticContact CH2-CZ 3.84Å; W380-Y402 WeakPolarHBondContact CH2-OH 3.46Å; W380-Y402 HydrophobicContact CZ3-CE1 4.45Å; W380-Y402 HydrophobicContact CZ3-CE2 4.2Å; W380-Y402 AromaticContact CZ3-CZ 3.83Å; L386-Y402 HydrophobicContact CB-CD2 4.44Å; L386-Y402 HydrophobicContact CB-CE2 4.48Å; L386-Y402 WeakPolarHBondContact O-CB 3.13Å; L386-Y402 WeakPolarHBondContact O-CD2 3.4Å; Y402-L404 HydrophobicContact CD1-CD2 4.17Å; Y402-L404 HydrophobicContact CE1-CD2 3.77Å; Y402-L404 PolarHBondContact O-N 3.39Å; Y402-L404 VanDerWaalsContact O-N 3.11Å; Y402-R405 HydrophobicContact CD2-CB 4.49Å; Y402-R405 HydrophobicContact CE2-CB 4.08Å; Y402-L448 HydrophobicContact CD1-CD1 3.98Å; Y402-L448 HydrophobicContact CD1-CG 4.15Å; Y402-L448 PolarHBondContact N-O 2.94Å; Y402-L448 PolarHBondContact O-N 2.98Å; Y402-V451 HydrophobicContact CG-CG1 4.41Å
403	P	97.9	Very high	98	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.019	15%	0.152	C	C	.	.			trans	-87.2	36.1	-176.5	36.1	-33.9	0	0	0	112.7	F401 R405 T447 E461 F463	F401-P403 HydrophobicContact CD1-CB 4.28Å; F401-P403 HydrophobicContact CD1-CG 3.96Å; F401-P403 HydrophobicContact CE1-CB 3.48Å; F401-P403 VanDerWaalsContact CE1-CB 3.48Å; F401-P403 HydrophobicContact CE1-CG 3.48Å; F401-P403 VanDerWaalsContact CE1-CG 3.48Å; F401-P403 HydrophobicContact CZ-CB 3.79Å; F401-P403 HydrophobicContact CZ-CG 4.31Å; P403-R405 VanDerWaalsContact C-N 3.28Å; P403-R405 HydrophobicContact CG-CG 4.08Å; P403-R405 PolarHBondContact O-N 3.35Å; P403-T447 WeakPolarHBondContact CA-OG1 3.49Å; P403-T447 HydrophobicContact CB-CG2 4.03Å; P403-E461 WeakPolarHBondContact CB-OE1 3.31Å; P403-F463 HydrophobicContact CB-CZ 4.34Å; P403-F463 HydrophobicContact CG-CZ 4.4Å; P403-F463 WeakPolarHBondContact O-CE2 3.34Å; P403-F463 VanDerWaalsContact O-CZ 3.26Å; P403-F463 WeakPolarHBondContact O-CZ 3.31Å
404	L	98.6	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.			trans	62.7	32.7	178.8	-45.6	177.6	0	0	0	114.7	Y402 A439 F464 T468	Y402-L404 HydrophobicContact CD1-CD2 4.17Å; Y402-L404 HydrophobicContact CE1-CD2 3.77Å; Y402-L404 PolarHBondContact O-N 3.39Å; Y402-L404 VanDerWaalsContact O-N 3.11Å; L404-A439 HydrophobicContact CD2-CB 3.64Å; L404-F464 HydrophobicContact CB-CB 4.48Å; L404-F464 HydrophobicContact CB-CD2 3.61Å; L404-F464 HydrophobicContact CB-CE2 4.26Å; L404-F464 HydrophobicContact CB-CG 4.35Å; L404-F464 HydrophobicContact CD1-CD2 3.72Å; L404-F464 HydrophobicContact CD1-CE2 4.02Å; L404-F464 HydrophobicContact CD1-CG 4.02Å; L404-F464 HydrophobicContact CG-CD2 4.27Å; L404-T468 PolarHBondContact O-OG1 3.48Å
405	R	98.4	Very high	98.3	Very high	46 Å²	46	22.2 Å²	22.2	17%	0.174	11%	0.114	C	C	.	.			trans	-54.2	139.3	-176.1	-104.9	-174.2	-148.2	-59.6	-1.3	115.1	S351 E388 Y402 P403 E407 F463	S351-R405 WeakPolarHBondContact OG-CD 3.29Å; S351-R405 PolarHBondContact OG-NE 2.92Å; E388-R405 IonicContact OE1-CZ 3.37Å; E388-R405 IonicContact OE1-NE 3.21Å; E388-R405 PolarHBondContact OE1-NE 2.81Å; E388-R405 IonicContact OE1-NH2 3.5Å; E388-R405 PolarHBondContact OE1-NH2 3.21Å; E388-R405 IonicContact OE2-CZ 2.68Å; E388-R405 IonicContact OE2-NE 4Å; E388-R405 PolarHBondContact OE2-NE 2.67Å; E388-R405 IonicContact OE2-NH2 2.67Å; Y402-R405 HydrophobicContact CD2-CB 4.49Å; Y402-R405 HydrophobicContact CE2-CB 4.08Å; P403-R405 VanDerWaalsContact C-N 3.28Å; P403-R405 HydrophobicContact CG-CG 4.08Å; P403-R405 PolarHBondContact O-N 3.35Å; R405-E407 WeakPolarHBondContact CB-OE2 3.17Å; R405-E407 VanDerWaalsContact CD-OE2 3.31Å; R405-E407 WeakPolarHBondContact CD-OE2 3.39Å; R405-E407 WeakPolarHBondContact CG-OE2 3.29Å; R405-E407 IonicContact NH1-OE1 2.61Å; R405-F463 HydrophobicContact CG-CE2 4.48Å; R405-F463 HydrophobicContact CG-CZ 4.42Å
406	P	98.7	Very high	98.3	Very high	2 Å²	2	20 Å²	20	1%	0.013	11%	0.105	C	C	.	.	S	Bend	trans	-85.3	-17.1	-174.5	33	-35.7	0	0	0	114.8	F408 V409 E410 F463 E467 T468 Y471	P406-F408 VanDerWaalsContact C-N 3.31Å; P406-F408 PolarHBondContact O-N 3.11Å; P406-V409 CarbonylContact O-C 3.5Å; P406-V409 WeakPolarHBondContact O-CA 3.25Å; P406-V409 VanDerWaalsContact O-CB 3.29Å; P406-V409 WeakPolarHBondContact O-CB 3.17Å; P406-V409 PolarHBondContact O-N 2.86Å; P406-E410 PolarHBondContact O-N 3.19Å; P406-F463 HydrophobicContact CG-CD2 4.45Å; P406-E467 HydrophobicContact CB-CB 3.41Å; P406-E467 VanDerWaalsContact CB-CB 3.41Å; P406-E467 HydrophobicContact CB-CG 4.47Å; P406-E467 HydrophobicContact CG-CB 3.76Å; P406-E467 HydrophobicContact CG-CG 4.38Å; P406-E467 WeakPolarHBondContact CG-OE1 3.37Å; P406-T468 WeakPolarHBondContact CA-OG1 3.37Å; P406-T468 WeakPolarHBondContact CB-OG1 3.38Å; P406-Y471 HydrophobicContact CB-CD2 4.42Å
407	E	98.8	Very high	98.2	Very high	24 Å²	24	18.4 Å²	18.4	11%	0.112	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-35.6	-161.7	-64.5	88.6	170.8	0	0	113.2	A354 R405 S411	A354-E407 HydrophobicContact CB-CB 4.16Å; R405-E407 WeakPolarHBondContact CB-OE2 3.17Å; R405-E407 VanDerWaalsContact CD-OE2 3.31Å; R405-E407 WeakPolarHBondContact CD-OE2 3.39Å; R405-E407 WeakPolarHBondContact CG-OE2 3.29Å; R405-E407 IonicContact NH1-OE1 2.61Å; E407-S411 PolarHBondContact O-N 3.46Å; E407-S411 VanDerWaalsContact O-N 3.11Å; E407-S411 PolarHBondContact O-OG 3.39Å
408	F	98.8	Very high	98	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.018	11%	0.106	C	C	.	.	H	α-helix	trans	-73.7	-33	174.1	-175	-127.8	0	0	0	112.6	A354 H373 Y377 W380 L386 P406 S411 T412 V427 I431	A354-F408 HydrophobicContact CB-CB 4.11Å; H373-F408 AromaticContact CD2-CE2 3.52Å; H373-F408 AromaticContact CE1-CE2 3.8Å; H373-F408 AromaticContact NE2-CE2 3.26Å; H373-F408 VanDerWaalsContact NE2-CE2 3.26Å; H373-F408 WeakPolarHBondContact NE2-CE2 3.46Å; H373-F408 AromaticContact NE2-CZ 3.76Å; Y377-F408 VanDerWaalsContact CA-CZ 3.42Å; Y377-F408 HydrophobicContact CD2-CZ 4.35Å; W380-F408 HydrophobicContact CB-CD1 4.45Å; W380-F408 HydrophobicContact CB-CE1 3.87Å; W380-F408 HydrophobicContact CD2-CD1 4.15Å; W380-F408 HydrophobicContact CD2-CE1 4.1Å; W380-F408 AromaticContact CE3-CD1 3.62Å; W380-F408 HydrophobicContact CE3-CD1 3.62Å; W380-F408 HydrophobicContact CE3-CE1 4.04Å; W380-F408 HydrophobicContact CG-CD1 4.5Å; W380-F408 HydrophobicContact CG-CE1 4.03Å; W380-F408 HydrophobicContact CZ3-CD1 4.25Å; L386-F408 HydrophobicContact CD2-CB 4.14Å; P406-F408 VanDerWaalsContact C-N 3.31Å; P406-F408 PolarHBondContact O-N 3.11Å; F408-S411 WeakPolarHBondContact CA-OG 3.46Å; F408-S411 PolarHBondContact O-OG 3.38Å; F408-T412 WeakPolarHBondContact O-CB 3.5Å; F408-T412 PolarHBondContact O-N 3.13Å; F408-T412 VanDerWaalsContact O-N 3.11Å; F408-T412 PolarHBondContact O-OG1 3.15Å; F408-V427 HydrophobicContact CE1-CG1 3.83Å; F408-V427 HydrophobicContact CZ-CG1 3.68Å; F408-I431 HydrophobicContact CD1-CD1 3.73Å; F408-I431 HydrophobicContact CD1-CG1 4.37Å; F408-I431 HydrophobicContact CE1-CD1 3.76Å; F408-I431 HydrophobicContact CE1-CG1 4.26Å
409	V	98.9	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-69.6	-44.3	173.9	-172.1	0	0	0	0	110.6	P406 T412 Y413 I431 T468 L472	P406-V409 CarbonylContact O-C 3.5Å; P406-V409 WeakPolarHBondContact O-CA 3.25Å; P406-V409 VanDerWaalsContact O-CB 3.29Å; P406-V409 WeakPolarHBondContact O-CB 3.17Å; P406-V409 PolarHBondContact O-N 2.86Å; V409-T412 WeakPolarHBondContact O-CB 3.36Å; V409-T412 PolarHBondContact O-N 3.48Å; V409-Y413 WeakPolarHBondContact O-CB 3.41Å; V409-Y413 PolarHBondContact O-N 2.87Å; V409-I431 HydrophobicContact CG2-CD1 4.23Å; V409-I431 HydrophobicContact CG2-CG2 4.04Å; V409-T468 HydrophobicContact CG2-CG2 4.1Å; V409-L472 HydrophobicContact CG1-CB 4.35Å; V409-L472 HydrophobicContact CG1-CD2 3.74Å; V409-L472 HydrophobicContact CG1-CG 3.58Å; V409-L472 HydrophobicContact CG2-CG 4.47Å
410	E	98.8	Very high	97.6	Very high	3 Å²	3	17 Å²	17	1%	0.014	9%	0.089	C	C	.	.	H	α-helix	trans	-56.1	-53.4	177.7	-177.2	-161.4	158.5	0	0	110.5	S358 P406 T412 Y413 F414 Y471	S358-E410 WeakPolarHBondContact CB-OE1 3.05Å; S358-E410 PolarHBondContact OG-OE1 2.96Å; P406-E410 PolarHBondContact O-N 3.19Å; E410-T412 VanDerWaalsContact C-N 3.31Å; E410-T412 PolarHBondContact O-N 2.8Å; E410-Y413 WeakPolarHBondContact O-CB 3.12Å; E410-Y413 PolarHBondContact O-N 3.04Å; E410-Y413 VanDerWaalsContact O-N 3.13Å; E410-F414 HydrophobicContact CG-CD2 3.74Å; E410-F414 HydrophobicContact CG-CE2 3.64Å; E410-F414 WeakPolarHBondContact O-CD2 3.26Å; E410-F414 PolarHBondContact O-N 3.33Å; E410-Y471 HydrophobicContact CB-CD2 3.85Å; E410-Y471 HydrophobicContact CB-CE2 3.74Å; E410-Y471 HydrophobicContact CB-CG 4.37Å; E410-Y471 HydrophobicContact CG-CD2 4.28Å; E410-Y471 HydrophobicContact CG-CE1 4.16Å; E410-Y471 HydrophobicContact CG-CE2 3.77Å
411	S	98.7	Very high	97.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.6	-39.4	177.5	49.8	0	0	0	0	112.5	A354 E407 F408 Y413 L415	A354-S411 WeakPolarHBondContact O-CB 3.27Å; A354-S411 PolarHBondContact O-OG 2.74Å; E407-S411 PolarHBondContact O-N 3.46Å; E407-S411 VanDerWaalsContact O-N 3.11Å; E407-S411 PolarHBondContact O-OG 3.39Å; F408-S411 WeakPolarHBondContact CA-OG 3.46Å; F408-S411 PolarHBondContact O-OG 3.38Å; S411-Y413 VanDerWaalsContact C-N 3.35Å; S411-Y413 PolarHBondContact O-N 2.79Å; S411-L415 VanDerWaalsContact O-CB 3.26Å; S411-L415 WeakPolarHBondContact O-CB 3.46Å; S411-L415 WeakPolarHBondContact O-CG 3.3Å; S411-L415 PolarHBondContact O-N 3.33Å
412	T	98.9	Very high	97.4	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-59.3	-45.3	173.3	-58	0	0	0	0	111.4	H373 F408 V409 E410 F416 Y424 V427 L475	H373-T412 PolarHBondContact NE2-OG1 3.26Å; F408-T412 WeakPolarHBondContact O-CB 3.5Å; F408-T412 PolarHBondContact O-N 3.13Å; F408-T412 VanDerWaalsContact O-N 3.11Å; F408-T412 PolarHBondContact O-OG1 3.15Å; V409-T412 WeakPolarHBondContact O-CB 3.36Å; V409-T412 PolarHBondContact O-N 3.48Å; E410-T412 VanDerWaalsContact C-N 3.31Å; E410-T412 PolarHBondContact O-N 2.8Å; T412-F416 WeakPolarHBondContact O-CB 3.26Å; T412-F416 PolarHBondContact O-N 3.38Å; T412-Y424 HydrophobicContact CG2-CD1 4.3Å; T412-Y424 VanDerWaalsContact CG2-O 3.29Å; T412-Y424 WeakPolarHBondContact CG2-O 3.35Å; T412-V427 HydrophobicContact CG2-CB 3.99Å; T412-V427 HydrophobicContact CG2-CG1 3.97Å; T412-L475 HydrophobicContact CG2-CD2 4Å
413	Y	98.8	Very high	97.3	Very high	1 Å²	1	14.6 Å²	14.6	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-51.2	178.9	165.1	-114	0	0	0	112.3	V409 E410 S411 L415 F416 L417 Y471 L474 L475 N483	V409-Y413 WeakPolarHBondContact O-CB 3.41Å; V409-Y413 PolarHBondContact O-N 2.87Å; E410-Y413 WeakPolarHBondContact O-CB 3.12Å; E410-Y413 PolarHBondContact O-N 3.04Å; E410-Y413 VanDerWaalsContact O-N 3.13Å; S411-Y413 VanDerWaalsContact C-N 3.35Å; S411-Y413 PolarHBondContact O-N 2.79Å; Y413-L415 PolarHBondContact O-N 3.29Å; Y413-F416 WeakPolarHBondContact O-CB 3.46Å; Y413-F416 PolarHBondContact O-N 2.91Å; Y413-L417 HydrophobicContact CD1-CD1 4.49Å; Y413-L417 HydrophobicContact CD2-CD1 4.37Å; Y413-L417 HydrophobicContact CD2-CG 4.13Å; Y413-L417 HydrophobicContact CE1-CD1 3.78Å; Y413-L417 HydrophobicContact CE2-CD1 3.62Å; Y413-L417 HydrophobicContact CE2-CD2 4.01Å; Y413-L417 HydrophobicContact CE2-CG 3.66Å; Y413-L417 PolarHBondContact O-N 3.17Å; Y413-L417 WeakPolarHBondContact OH-CD1 3.44Å; Y413-Y471 AromaticContact CD1-CD1 3.43Å; Y413-Y471 HydrophobicContact CD1-CD1 3.43Å; Y413-Y471 VanDerWaalsContact CD1-CD1 3.43Å; Y413-Y471 AromaticContact CD1-CE1 3.89Å; Y413-Y471 HydrophobicContact CD1-CE1 3.89Å; Y413-Y471 HydrophobicContact CD1-CG 4.45Å; Y413-Y471 AromaticContact CE1-CD1 3.9Å; Y413-Y471 HydrophobicContact CE1-CD1 3.9Å; Y413-Y471 HydrophobicContact CE1-CE1 4.11Å; Y413-Y471 HydrophobicContact CG-CD1 4.05Å; Y413-L474 HydrophobicContact CD2-CB 3.99Å; Y413-L474 HydrophobicContact CE1-CD1 4.35Å; Y413-L474 HydrophobicContact CE2-CB 3.46Å; Y413-L474 VanDerWaalsContact CE2-CB 3.46Å; Y413-L475 HydrophobicContact CD2-CB 4.33Å; Y413-N483 VanDerWaalsContact CE2-OD1 3.29Å; Y413-N483 WeakPolarHBondContact CE2-OD1 3.45Å; Y413-N483 PolarHBondContact OH-OD1 2.66Å
414	F	98.3	Very high	97.3	Very high	39 Å²	39	14.5 Å²	14.5	17%	0.171	8%	0.076	C	C	.	.	H	α-helix	trans	-67.8	-35.7	-179.2	-76.6	-68.2	0	0	0	112.7	V361 E410 L417 A418 Y471 F491	V361-F414 HydrophobicContact CG1-CB 4.29Å; E410-F414 HydrophobicContact CG-CD2 3.74Å; E410-F414 HydrophobicContact CG-CE2 3.64Å; E410-F414 WeakPolarHBondContact O-CD2 3.26Å; E410-F414 PolarHBondContact O-N 3.33Å; F414-L417 HydrophobicContact CD1-CD1 4.34Å; F414-L417 PolarHBondContact O-N 3.24Å; F414-A418 WeakPolarHBondContact O-CB 3.38Å; F414-A418 PolarHBondContact O-N 2.92Å; F414-Y471 HydrophobicContact CE2-CE1 4.16Å; F414-F491 HydrophobicContact CZ-CB 4.38Å; F414-F491 HydrophobicContact CZ-CD2 4.18Å; F414-F491 HydrophobicContact CZ-CG 4.37Å
415	L	97.9	Very high	97.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-41.6	172.5	-82.2	166.6	0	0	0	112	V361 L366 A369 I370 H373 S411 Y413 L417 A418 T419 Y424	V361-L415 HydrophobicContact CG2-CD2 3.59Å; V361-L415 HydrophobicContact CG2-CG 3.85Å; L366-L415 HydrophobicContact CD1-CD2 3.75Å; A369-L415 HydrophobicContact CB-CD2 3.78Å; A369-L415 HydrophobicContact CB-CG 4.48Å; I370-L415 HydrophobicContact CG1-CD2 3.99Å; H373-L415 HydrophobicContact CB-CD1 3.31Å; S411-L415 VanDerWaalsContact O-CB 3.26Å; S411-L415 WeakPolarHBondContact O-CB 3.46Å; S411-L415 WeakPolarHBondContact O-CG 3.3Å; S411-L415 PolarHBondContact O-N 3.33Å; Y413-L415 PolarHBondContact O-N 3.29Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L415-A418 PolarHBondContact O-N 3.46Å; L415-T419 WeakPolarHBondContact O-CB 3.37Å; L415-T419 WeakPolarHBondContact O-CG2 3.31Å; L415-T419 PolarHBondContact O-N 3.06Å; L415-T419 PolarHBondContact O-OG1 2.85Å; L415-Y424 HydrophobicContact CB-CD1 3.9Å; L415-Y424 HydrophobicContact CB-CD2 4.15Å; L415-Y424 HydrophobicContact CB-CE1 3.55Å; L415-Y424 HydrophobicContact CB-CE2 3.82Å; L415-Y424 HydrophobicContact CB-CG 4.2Å; L415-Y424 HydrophobicContact CD1-CD1 4.46Å; L415-Y424 HydrophobicContact CD1-CE1 3.64Å; L415-Y424 HydrophobicContact CG-CE1 4.13Å
416	F	97.4	Very high	97.3	Very high	9 Å²	9	14 Å²	14	4%	0.039	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-44.8	171.7	177.3	-105.2	0	0	0	111.2	T412 Y413 A418 T419 K420 N421 Y424 L425 L475 L478	T412-F416 WeakPolarHBondContact O-CB 3.26Å; T412-F416 PolarHBondContact O-N 3.38Å; Y413-F416 WeakPolarHBondContact O-CB 3.46Å; Y413-F416 PolarHBondContact O-N 2.91Å; F416-A418 VanDerWaalsContact C-N 3.34Å; F416-A418 PolarHBondContact O-N 3.46Å; F416-T419 PolarHBondContact O-N 3.11Å; F416-K420 WeakPolarHBondContact O-CA 3.29Å; F416-K420 PolarHBondContact O-N 2.97Å; F416-N421 WeakPolarHBondContact CD2-O 3.39Å; F416-Y424 HydrophobicContact CB-CD2 4.35Å; F416-Y424 HydrophobicContact CB-CG 4.29Å; F416-L425 HydrophobicContact CD2-CD2 4.08Å; F416-L425 HydrophobicContact CD2-CG 3.95Å; F416-L425 HydrophobicContact CE1-CD2 4.3Å; F416-L425 HydrophobicContact CE2-CD1 3.77Å; F416-L425 HydrophobicContact CE2-CD2 3.8Å; F416-L425 HydrophobicContact CE2-CG 3.62Å; F416-L425 HydrophobicContact CG-CD2 4.46Å; F416-L425 HydrophobicContact CZ-CD1 4.17Å; F416-L425 HydrophobicContact CZ-CD2 3.92Å; F416-L425 HydrophobicContact CZ-CG 4.18Å; F416-L475 HydrophobicContact CB-CD1 3.4Å; F416-L475 VanDerWaalsContact CB-CD1 3.4Å; F416-L475 HydrophobicContact CD1-CD1 3.68Å; F416-L475 HydrophobicContact CD2-CD1 4.28Å; F416-L475 HydrophobicContact CG-CD1 3.51Å; F416-L478 HydrophobicContact CE1-CD2 3.37Å; F416-L478 HydrophobicContact CZ-CD2 3.49Å; F416-L478 VanDerWaalsContact CZ-CD2 3.49Å
417	L	95.1	Very high	97.3	Very high	11 Å²	11	14 Å²	14	6%	0.058	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-44.4	179.3	-78.1	-171.4	0	0	0	112.5	Y413 F414 L415 K420 N483	Y413-L417 HydrophobicContact CD1-CD1 4.49Å; Y413-L417 HydrophobicContact CD2-CD1 4.37Å; Y413-L417 HydrophobicContact CD2-CG 4.13Å; Y413-L417 HydrophobicContact CE1-CD1 3.78Å; Y413-L417 HydrophobicContact CE2-CD1 3.62Å; Y413-L417 HydrophobicContact CE2-CD2 4.01Å; Y413-L417 HydrophobicContact CE2-CG 3.66Å; Y413-L417 PolarHBondContact O-N 3.17Å; Y413-L417 WeakPolarHBondContact OH-CD1 3.44Å; F414-L417 HydrophobicContact CD1-CD1 4.34Å; F414-L417 PolarHBondContact O-N 3.24Å; L415-L417 VanDerWaalsContact C-N 3.34Å; L417-K420 WeakPolarHBondContact O-CE 3Å; L417-K420 PolarHBondContact O-NZ 2.96Å; L417-N483 HydrophobicContact CD2-CB 4.18Å
418	A	94.6	Very high	97.3	Very high	51 Å²	51	12.8 Å²	12.8	42%	0.421	7%	0.07	S	C	.	.	H	α-helix	trans	-70.4	-40.5	-178.6	0	0	0	0	0	113	V361 L366 F414 L415 F416	V361-A418 HydrophobicContact CG1-CB 3.68Å; L366-A418 HydrophobicContact CD1-CB 4.17Å; F414-A418 WeakPolarHBondContact O-CB 3.38Å; F414-A418 PolarHBondContact O-N 2.92Å; L415-A418 PolarHBondContact O-N 3.46Å; F416-A418 VanDerWaalsContact C-N 3.34Å; F416-A418 PolarHBondContact O-N 3.46Å
419	T	94.1	Very high	97.3	Very high	14 Å²	14	14.8 Å²	14.8	9%	0.086	8%	0.078	C	C	.	.	H	α-helix	trans	-100.6	-26.4	-170.8	64.3	0	0	0	0	114.1	L366 L415 F416 N421 Y424	L366-T419 HydrophobicContact CD1-CG2 3.89Å; L366-T419 HydrophobicContact CD2-CG2 3.99Å; L366-T419 HydrophobicContact CG-CG2 4.36Å; L415-T419 WeakPolarHBondContact O-CB 3.37Å; L415-T419 WeakPolarHBondContact O-CG2 3.31Å; L415-T419 PolarHBondContact O-N 3.06Å; L415-T419 PolarHBondContact O-OG1 2.85Å; F416-T419 PolarHBondContact O-N 3.11Å; T419-N421 PolarHBondContact O-N 2.86Å; T419-N421 VanDerWaalsContact OG1-CB 3.31Å; T419-N421 WeakPolarHBondContact OG1-CB 2.95Å; T419-N421 PolarHBondContact OG1-N 3.33Å; T419-N421 VanDerWaalsContact OG1-N 3.08Å; T419-Y424 HydrophobicContact CG2-CE2 4.32Å; T419-Y424 VanDerWaalsContact OG1-CE2 3.29Å; T419-Y424 WeakPolarHBondContact OG1-CE2 3.31Å
420	K	93.6	Very high	97.3	Very high	72 Å²	72	15.6 Å²	15.6	31%	0.313	8%	0.082	S	C	.	.			trans	53.5	26.2	-164.6	-50.8	-57.9	-177.5	-159.5	0	113.2	F416 L417	F416-K420 WeakPolarHBondContact O-CA 3.29Å; F416-K420 PolarHBondContact O-N 2.97Å; L417-K420 WeakPolarHBondContact O-CE 3Å; L417-K420 PolarHBondContact O-NZ 2.96Å
421	N	94.6	Very high	97.3	Very high	7 Å²	7	15.5 Å²	15.5	4%	0.037	8%	0.082	C	C	.	.			trans	-78	128.7	-176.8	-165.7	-63.1	0	0	0	111.7	F416 T419 F423 Y424 V559 P561	F416-N421 WeakPolarHBondContact CD2-O 3.39Å; T419-N421 PolarHBondContact O-N 2.86Å; T419-N421 VanDerWaalsContact OG1-CB 3.31Å; T419-N421 WeakPolarHBondContact OG1-CB 2.95Å; T419-N421 PolarHBondContact OG1-N 3.33Å; T419-N421 VanDerWaalsContact OG1-N 3.08Å; N421-F423 PolarHBondContact O-N 3.38Å; N421-F423 WeakPolarHBondContact OD1-CB 3.35Å; N421-F423 PolarHBondContact OD1-N 2.8Å; N421-Y424 HydrophobicContact CB-CD2 3.87Å; N421-Y424 HydrophobicContact CB-CE2 3.84Å; N421-Y424 PolarHBondContact O-N 2.97Å; N421-V559 PolarHBondContact ND2-O 3.44Å; N421-P561 HydrophobicContact CB-CG 4.15Å; N421-P561 WeakPolarHBondContact ND2-CD 3.17Å
422	P	96	Very high	97.3	Very high	14 Å²	14	15.7 Å²	15.7	9%	0.091	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.5	-179.6	-23.8	34.2	0	0	0	115.3	F36 Y424 L425 H426 R557	F36-P422 HydrophobicContact CB-CB 3.92Å; P422-Y424 PolarHBondContact O-N 3.36Å; P422-L425 WeakPolarHBondContact O-CB 3.4Å; P422-L425 PolarHBondContact O-N 3.48Å; P422-H426 PolarHBondContact O-CD2 2.86Å; P422-H426 PolarHBondContact O-N 3.45Å; P422-R557 WeakPolarHBondContact CD-O 3.35Å
423	F	96.2	Very high	97.3	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-49.3	-46.2	174.5	172.4	-100.9	0	0	0	111.9	F33 Y377 N421 L425 H426 V427 L560 P561 M567	F33-F423 HydrophobicContact CB-CB 4.42Å; F33-F423 HydrophobicContact CB-CD2 4Å; F33-F423 AromaticContact CD1-CD2 3.62Å; F33-F423 HydrophobicContact CD1-CD2 3.62Å; F33-F423 HydrophobicContact CD1-CE2 4.11Å; F33-F423 HydrophobicContact CD2-CD2 4.35Å; F33-F423 HydrophobicContact CE1-CD2 4.16Å; F33-F423 HydrophobicContact CE1-CE2 4.19Å; F33-F423 AromaticContact CG-CD2 3.73Å; F33-F423 HydrophobicContact CG-CD2 3.73Å; F33-F423 HydrophobicContact CG-CE2 4.34Å; F33-F423 HydrophobicContact CZ-CE2 4.5Å; F33-F423 PolarHBondContact O-N 2.66Å; Y377-F423 HydrophobicContact CD1-CE2 4.21Å; Y377-F423 AromaticContact CD1-CZ 3.7Å; Y377-F423 HydrophobicContact CD1-CZ 3.7Å; Y377-F423 HydrophobicContact CD2-CZ 4.39Å; Y377-F423 AromaticContact CE1-CE2 3.95Å; Y377-F423 HydrophobicContact CE1-CE2 3.95Å; Y377-F423 AromaticContact CE1-CZ 3.92Å; Y377-F423 HydrophobicContact CE1-CZ 3.92Å; Y377-F423 AromaticContact CG-CZ 3.94Å; Y377-F423 HydrophobicContact CG-CZ 3.94Å; N421-F423 PolarHBondContact O-N 3.38Å; N421-F423 WeakPolarHBondContact OD1-CB 3.35Å; N421-F423 PolarHBondContact OD1-N 2.8Å; F423-L425 VanDerWaalsContact C-N 3.28Å; F423-L425 PolarHBondContact O-N 2.87Å; F423-H426 WeakPolarHBondContact O-CB 3.26Å; F423-H426 PolarHBondContact O-N 2.81Å; F423-H426 VanDerWaalsContact O-N 3.07Å; F423-V427 HydrophobicContact CD1-CG2 4.12Å; F423-V427 HydrophobicContact CE1-CG2 3.66Å; F423-V427 HydrophobicContact CE2-CG2 4.22Å; F423-V427 HydrophobicContact CZ-CG2 3.71Å; F423-V427 WeakPolarHBondContact O-CG2 3.29Å; F423-V427 PolarHBondContact O-N 2.85Å; F423-L560 HydrophobicContact CD2-CD2 4.32Å; F423-P561 HydrophobicContact CB-CG 4.15Å; F423-P561 HydrophobicContact CD1-CG 4.15Å; F423-P561 HydrophobicContact CG-CG 4.35Å; F423-M567 HydrophobicContact CE2-CE 4.15Å; F423-M567 HydrophobicContact CZ-CE 4.17Å
424	Y	98.1	Very high	97.3	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-26.1	-177.7	-58.9	-64.9	0	0	0	113.4	I370 H373 T412 L415 F416 T419 N421 P422 V427 G428 P561	I370-Y424 WeakPolarHBondContact CG1-OH 3.16Å; H373-Y424 AromaticContact CE1-CD1 3.75Å; H373-Y424 AromaticContact CE1-CE1 3.73Å; H373-Y424 AromaticContact ND1-CE1 3.6Å; T412-Y424 HydrophobicContact CG2-CD1 4.3Å; T412-Y424 VanDerWaalsContact CG2-O 3.29Å; T412-Y424 WeakPolarHBondContact CG2-O 3.35Å; L415-Y424 HydrophobicContact CB-CD1 3.9Å; L415-Y424 HydrophobicContact CB-CD2 4.15Å; L415-Y424 HydrophobicContact CB-CE1 3.55Å; L415-Y424 HydrophobicContact CB-CE2 3.82Å; L415-Y424 HydrophobicContact CB-CG 4.2Å; L415-Y424 HydrophobicContact CD1-CD1 4.46Å; L415-Y424 HydrophobicContact CD1-CE1 3.64Å; L415-Y424 HydrophobicContact CG-CE1 4.13Å; F416-Y424 HydrophobicContact CB-CD2 4.35Å; F416-Y424 HydrophobicContact CB-CG 4.29Å; T419-Y424 HydrophobicContact CG2-CE2 4.32Å; T419-Y424 VanDerWaalsContact OG1-CE2 3.29Å; T419-Y424 WeakPolarHBondContact OG1-CE2 3.31Å; N421-Y424 HydrophobicContact CB-CD2 3.87Å; N421-Y424 HydrophobicContact CB-CE2 3.84Å; N421-Y424 PolarHBondContact O-N 2.97Å; P422-Y424 PolarHBondContact O-N 3.36Å; Y424-V427 PolarHBondContact O-N 2.72Å; Y424-G428 PolarHBondContact O-N 3.31Å; Y424-P561 HydrophobicContact CE2-CG 3.85Å; Y424-P561 WeakPolarHBondContact OH-CB 3.3Å
425	L	98.5	Very high	97.3	Very high	12 Å²	12	17.2 Å²	17.2	6%	0.063	9%	0.091	C	C	.	.	H	α-helix	trans	-70.4	-36.7	172.3	-62.9	174.5	0	0	0	111.3	F36 F416 P422 F423 G428 K429 L475 F476	F36-L425 HydrophobicContact CB-CB 4.16Å; F36-L425 HydrophobicContact CB-CD1 3.92Å; F36-L425 HydrophobicContact CD1-CB 3.91Å; F36-L425 HydrophobicContact CD1-CD1 3.89Å; F36-L425 HydrophobicContact CD2-CB 3.6Å; F36-L425 HydrophobicContact CE1-CB 4.13Å; F36-L425 HydrophobicContact CE2-CB 3.88Å; F36-L425 WeakPolarHBondContact CE2-O 3.46Å; F36-L425 HydrophobicContact CG-CB 3.62Å; F36-L425 HydrophobicContact CG-CD1 3.95Å; F36-L425 HydrophobicContact CG-CG 4.46Å; F36-L425 HydrophobicContact CZ-CB 4.12Å; F416-L425 HydrophobicContact CD2-CD2 4.08Å; F416-L425 HydrophobicContact CD2-CG 3.95Å; F416-L425 HydrophobicContact CE1-CD2 4.3Å; F416-L425 HydrophobicContact CE2-CD1 3.77Å; F416-L425 HydrophobicContact CE2-CD2 3.8Å; F416-L425 HydrophobicContact CE2-CG 3.62Å; F416-L425 HydrophobicContact CG-CD2 4.46Å; F416-L425 HydrophobicContact CZ-CD1 4.17Å; F416-L425 HydrophobicContact CZ-CD2 3.92Å; F416-L425 HydrophobicContact CZ-CG 4.18Å; P422-L425 WeakPolarHBondContact O-CB 3.4Å; P422-L425 PolarHBondContact O-N 3.48Å; F423-L425 VanDerWaalsContact C-N 3.28Å; F423-L425 PolarHBondContact O-N 2.87Å; L425-G428 PolarHBondContact O-N 3.49Å; L425-K429 WeakPolarHBondContact O-CB 3.48Å; L425-K429 PolarHBondContact O-N 2.83Å; L425-L475 HydrophobicContact CD2-CD1 3.91Å; L425-L475 HydrophobicContact CD2-CG 4.02Å; L425-L475 WeakPolarHBondContact CD2-O 3.3Å; L425-F476 HydrophobicContact CB-CE1 4.11Å; L425-F476 HydrophobicContact CD2-CD1 3.8Å; L425-F476 HydrophobicContact CD2-CE1 3.78Å
426	H	98.1	Very high	97.3	Very high	23 Å²	23	19.9 Å²	19.9	11%	0.106	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-44.4	172	-71.4	-75.1	0	0	0	111.4	H32 F33 Y35 F36 P422 F423 G428 K429 E430	H32-H426 PolarHBondContact O-CE1 3.46Å; H32-H426 PolarHBondContact O-NE2 3.29Å; F33-H426 HydrophobicContact CD1-CB 3.62Å; F33-H426 AromaticContact CD1-CD2 3.74Å; F33-H426 AromaticContact CD1-CG 3.75Å; F33-H426 HydrophobicContact CE1-CB 3.77Å; Y35-H426 PolarHBondContact O-CE1 3.49Å; Y35-H426 PolarHBondContact O-NE2 3.23Å; F36-H426 HydrophobicContact CD2-CB 4.49Å; F36-H426 AromaticContact CD2-CD2 3.74Å; F36-H426 AromaticContact CD2-CE1 3.58Å; F36-H426 AromaticContact CD2-CG 3.67Å; F36-H426 AromaticContact CD2-ND1 3.55Å; F36-H426 AromaticContact CD2-NE2 3.67Å; F36-H426 AromaticContact CE2-ND1 3.78Å; P422-H426 PolarHBondContact O-CD2 2.86Å; P422-H426 PolarHBondContact O-N 3.45Å; F423-H426 WeakPolarHBondContact O-CB 3.26Å; F423-H426 PolarHBondContact O-N 2.81Å; F423-H426 VanDerWaalsContact O-N 3.07Å; H426-G428 PolarHBondContact O-N 2.8Å; H426-K429 WeakPolarHBondContact O-CB 3.48Å; H426-K429 PolarHBondContact O-N 3Å; H426-E430 WeakPolarHBondContact O-CG 3.48Å; H426-E430 PolarHBondContact O-N 3.26Å
427	V	98.6	Very high	97.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-49.2	174.5	179.2	0	0	0	0	111	Y377 F408 T412 F423 Y424 K429 E430 I431	Y377-V427 HydrophobicContact CD2-CB 4.28Å; Y377-V427 HydrophobicContact CD2-CG1 3.95Å; Y377-V427 HydrophobicContact CD2-CG2 3.53Å; Y377-V427 HydrophobicContact CE2-CB 4.42Å; Y377-V427 HydrophobicContact CE2-CG1 4.45Å; Y377-V427 HydrophobicContact CE2-CG2 3.65Å; Y377-V427 HydrophobicContact CG-CG2 4.25Å; F408-V427 HydrophobicContact CE1-CG1 3.83Å; F408-V427 HydrophobicContact CZ-CG1 3.68Å; T412-V427 HydrophobicContact CG2-CB 3.99Å; T412-V427 HydrophobicContact CG2-CG1 3.97Å; F423-V427 HydrophobicContact CD1-CG2 4.12Å; F423-V427 HydrophobicContact CE1-CG2 3.66Å; F423-V427 HydrophobicContact CE2-CG2 4.22Å; F423-V427 HydrophobicContact CZ-CG2 3.71Å; F423-V427 WeakPolarHBondContact O-CG2 3.29Å; F423-V427 PolarHBondContact O-N 2.85Å; Y424-V427 PolarHBondContact O-N 2.72Å; V427-K429 VanDerWaalsContact C-N 3.31Å; V427-K429 PolarHBondContact O-N 3.35Å; V427-E430 PolarHBondContact O-N 3.35Å; V427-I431 HydrophobicContact CG1-CD1 3.86Å; V427-I431 HydrophobicContact CG1-CG1 4.45Å; V427-I431 VanDerWaalsContact O-CG1 3.31Å; V427-I431 WeakPolarHBondContact O-CG1 3.37Å; V427-I431 PolarHBondContact O-N 2.8Å
428	G	98.8	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-38.1	177.2	0	0	0	0	0	113.7	Y424 L425 H426 I431 I432	Y424-G428 PolarHBondContact O-N 3.31Å; L425-G428 PolarHBondContact O-N 3.49Å; H426-G428 PolarHBondContact O-N 2.8Å; G428-I431 PolarHBondContact O-N 2.68Å; G428-I432 WeakPolarHBondContact O-CG1 3.18Å; G428-I432 PolarHBondContact O-N 3.27Å
429	K	98.8	Very high	97.8	Very high	45 Å²	45	25.4 Å²	25.4	20%	0.196	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-48.6	174.9	165	177.2	178.7	-63.8	0	110.9	F36 L40 M44 L425 H426 V427 I431 I432 E433	F36-K429 HydrophobicContact CE2-CB 4.23Å; F36-K429 HydrophobicContact CE2-CD 4.27Å; F36-K429 HydrophobicContact CZ-CB 4.28Å; F36-K429 HydrophobicContact CZ-CD 4.41Å; L40-K429 HydrophobicContact CD1-CD 4.24Å; L40-K429 HydrophobicContact CD2-CD 3.97Å; L40-K429 HydrophobicContact CG-CD 4.36Å; M44-K429 HydrophobicContact CG-CB 4.05Å; M44-K429 HydrophobicContact CG-CG 4.35Å; M44-K429 HydrophobicContact SD-CB 3.81Å; M44-K429 HydrophobicContact SD-CD 4.27Å; M44-K429 HydrophobicContact SD-CG 3.63Å; L425-K429 WeakPolarHBondContact O-CB 3.48Å; L425-K429 PolarHBondContact O-N 2.83Å; H426-K429 WeakPolarHBondContact O-CB 3.48Å; H426-K429 PolarHBondContact O-N 3Å; V427-K429 VanDerWaalsContact C-N 3.31Å; V427-K429 PolarHBondContact O-N 3.35Å; K429-I431 VanDerWaalsContact C-N 3.28Å; K429-I431 PolarHBondContact O-N 3.26Å; K429-I432 PolarHBondContact O-N 3.15Å; K429-E433 WeakPolarHBondContact CE-OE1 3.38Å; K429-E433 HydrophobicContact CG-CG 4.47Å; K429-E433 IonicContact NZ-OE1 2.76Å; K429-E433 PolarHBondContact NZ-OE1 2.97Å; K429-E433 IonicContact NZ-OE2 3.31Å; K429-E433 PolarHBondContact NZ-OE2 3.28Å; K429-E433 WeakPolarHBondContact O-CG 3.2Å; K429-E433 PolarHBondContact O-N 3.36Å
430	E	98.6	Very high	98	Very high	18 Å²	18	29.1 Å²	29.1	8%	0.084	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-40.5	179	-69.7	-178.8	176.3	0	0	111.1	Y377 R381 H426 V427 I432 E433 S434	Y377-E430 VanDerWaalsContact CE2-OE2 3.25Å; Y377-E430 WeakPolarHBondContact CE2-OE2 3.36Å; Y377-E430 PolarHBondContact OH-OE1 3.33Å; Y377-E430 PolarHBondContact OH-OE2 2.96Å; R381-E430 WeakPolarHBondContact CD-OE2 3.26Å; R381-E430 IonicContact CZ-OE1 2.74Å; R381-E430 IonicContact NE-OE2 3.92Å; R381-E430 IonicContact NH1-OE1 3.95Å; R381-E430 PolarHBondContact NH1-OE1 3.32Å; R381-E430 IonicContact NH1-OE2 2.98Å; R381-E430 PolarHBondContact NH1-OE2 2.78Å; H426-E430 WeakPolarHBondContact O-CG 3.48Å; H426-E430 PolarHBondContact O-N 3.26Å; V427-E430 PolarHBondContact O-N 3.35Å; E430-I432 PolarHBondContact O-N 3.1Å; E430-E433 PolarHBondContact O-N 2.67Å; E430-S434 WeakPolarHBondContact O-CB 3.36Å; E430-S434 PolarHBondContact O-N 3.25Å; E430-S434 PolarHBondContact O-OG 3.17Å
431	I	98.9	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.6	-48.5	175.9	-67.8	166.9	0	0	0	111.3	W380 F408 V409 V427 G428 K429 E433 S434 I435 L472	W380-I431 HydrophobicContact CD2-CG1 4.06Å; W380-I431 HydrophobicContact CE3-CG1 4.39Å; W380-I431 HydrophobicContact CH2-CB 4.27Å; W380-I431 HydrophobicContact CH2-CG1 4.04Å; W380-I431 HydrophobicContact CH2-CG2 3.79Å; W380-I431 HydrophobicContact CZ2-CB 3.87Å; W380-I431 HydrophobicContact CZ2-CG1 3.69Å; W380-I431 HydrophobicContact CZ2-CG2 3.84Å; W380-I431 HydrophobicContact CZ3-CG1 4.37Å; F408-I431 HydrophobicContact CD1-CD1 3.73Å; F408-I431 HydrophobicContact CD1-CG1 4.37Å; F408-I431 HydrophobicContact CE1-CD1 3.76Å; F408-I431 HydrophobicContact CE1-CG1 4.26Å; V409-I431 HydrophobicContact CG2-CD1 4.23Å; V409-I431 HydrophobicContact CG2-CG2 4.04Å; V427-I431 HydrophobicContact CG1-CD1 3.86Å; V427-I431 HydrophobicContact CG1-CG1 4.45Å; V427-I431 VanDerWaalsContact O-CG1 3.31Å; V427-I431 WeakPolarHBondContact O-CG1 3.37Å; V427-I431 PolarHBondContact O-N 2.8Å; G428-I431 PolarHBondContact O-N 2.68Å; K429-I431 VanDerWaalsContact C-N 3.28Å; K429-I431 PolarHBondContact O-N 3.26Å; I431-E433 VanDerWaalsContact C-N 3.33Å; I431-E433 PolarHBondContact O-N 2.82Å; I431-S434 PolarHBondContact O-N 3.19Å; I431-I435 HydrophobicContact CG2-CD1 3.75Å; I431-I435 HydrophobicContact CG2-CG1 4.47Å; I431-I435 WeakPolarHBondContact O-CG1 3.28Å; I431-I435 PolarHBondContact O-N 3.43Å; I431-L472 HydrophobicContact CB-CD2 4.31Å; I431-L472 HydrophobicContact CG2-CD1 4.24Å; I431-L472 HydrophobicContact CG2-CD2 4.06Å
432	I	98.9	Very high	98.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-57.4	-48.4	176.6	-69.6	161.5	0	0	0	110.4	M44 A47 T48 M51 G428 K429 E430 S434 I435 E436 L472 F476	M44-I432 HydrophobicContact CB-CD1 4.12Å; M44-I432 HydrophobicContact SD-CD1 4.19Å; A47-I432 HydrophobicContact CB-CG2 4.19Å; T48-I432 WeakPolarHBondContact OG1-CD1 3.41Å; M51-I432 HydrophobicContact CE-CG2 4.12Å; G428-I432 WeakPolarHBondContact O-CG1 3.18Å; G428-I432 PolarHBondContact O-N 3.27Å; K429-I432 PolarHBondContact O-N 3.15Å; E430-I432 PolarHBondContact O-N 3.1Å; I432-S434 PolarHBondContact O-N 3.31Å; I432-I435 PolarHBondContact O-N 3.25Å; I432-E436 HydrophobicContact CG2-CG 4.27Å; I432-E436 WeakPolarHBondContact O-CB 3.37Å; I432-E436 WeakPolarHBondContact O-CG 3.12Å; I432-E436 PolarHBondContact O-N 2.94Å; I432-L472 HydrophobicContact CD1-CD2 4.3Å; I432-L472 HydrophobicContact CG1-CD1 3.82Å; I432-L472 HydrophobicContact CG1-CD2 3.92Å; I432-L472 HydrophobicContact CG1-CG 4.33Å; I432-F476 HydrophobicContact CD1-CD2 4.12Å; I432-F476 HydrophobicContact CD1-CE2 3.48Å; I432-F476 VanDerWaalsContact CD1-CE2 3.48Å; I432-F476 HydrophobicContact CD1-CZ 4.24Å
433	E	98.8	Very high	98.5	Very high	67 Å²	67	33 Å²	33	31%	0.313	15%	0.153	S	C	.	.	H	α-helix	trans	-64.2	-39.6	-177.4	-72.9	175.2	158.3	0	0	112.4	K429 E430 I431 R437	K429-E433 WeakPolarHBondContact CE-OE1 3.38Å; K429-E433 HydrophobicContact CG-CG 4.47Å; K429-E433 IonicContact NZ-OE1 2.76Å; K429-E433 PolarHBondContact NZ-OE1 2.97Å; K429-E433 IonicContact NZ-OE2 3.31Å; K429-E433 PolarHBondContact NZ-OE2 3.28Å; K429-E433 WeakPolarHBondContact O-CG 3.2Å; K429-E433 PolarHBondContact O-N 3.36Å; E430-E433 PolarHBondContact O-N 2.67Å; I431-E433 VanDerWaalsContact C-N 3.33Å; I431-E433 PolarHBondContact O-N 2.82Å; E433-R437 WeakPolarHBondContact O-CB 3.42Å; E433-R437 PolarHBondContact O-N 2.98Å; E433-R437 VanDerWaalsContact O-N 3.07Å
434	S	98.8	Very high	98.6	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-44.6	176.5	-56.9	0	0	0	0	111.5	W380 D384 E430 I431 I432 R437 H438	W380-S434 PolarHBondContact NE1-OG 2.86Å; D384-S434 WeakPolarHBondContact O-CB 3.39Å; D384-S434 PolarHBondContact OD1-OG 3.03Å; E430-S434 WeakPolarHBondContact O-CB 3.36Å; E430-S434 PolarHBondContact O-N 3.25Å; E430-S434 PolarHBondContact O-OG 3.17Å; I431-S434 PolarHBondContact O-N 3.19Å; I432-S434 PolarHBondContact O-N 3.31Å; S434-R437 PolarHBondContact O-N 3.24Å; S434-H438 WeakPolarHBondContact O-CB 3.49Å; S434-H438 PolarHBondContact O-CD2 3.15Å; S434-H438 VanDerWaalsContact O-CD2 3.24Å; S434-H438 PolarHBondContact O-N 3.47Å
435	I	98.9	Very high	98.7	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-47.5	177.8	-68.2	172.8	0	0	0	110.9	M51 W380 I431 I432 R437 H438 A439 K440 Y445 F464 T468	M51-I435 HydrophobicContact CE-CB 4.07Å; M51-I435 HydrophobicContact CE-CG2 3.73Å; M51-I435 HydrophobicContact SD-CG2 4.2Å; W380-I435 HydrophobicContact CH2-CG1 4.47Å; I431-I435 HydrophobicContact CG2-CD1 3.75Å; I431-I435 HydrophobicContact CG2-CG1 4.47Å; I431-I435 WeakPolarHBondContact O-CG1 3.28Å; I431-I435 PolarHBondContact O-N 3.43Å; I432-I435 PolarHBondContact O-N 3.25Å; I435-R437 PolarHBondContact O-N 3.17Å; I435-H438 PolarHBondContact O-N 3.11Å; I435-A439 HydrophobicContact CG2-CB 4.2Å; I435-A439 WeakPolarHBondContact O-CB 3.03Å; I435-A439 PolarHBondContact O-N 2.78Å; I435-K440 PolarHBondContact O-N 3.45Å; I435-Y445 HydrophobicContact CG2-CD1 3.56Å; I435-Y445 HydrophobicContact CG2-CE1 3.95Å; I435-Y445 HydrophobicContact CG2-CG 4.41Å; I435-F464 HydrophobicContact CG2-CE2 4.14Å; I435-F464 HydrophobicContact CG2-CZ 4.31Å; I435-T468 HydrophobicContact CD1-CG2 4.09Å
436	E	98.7	Very high	98.7	Very high	56 Å²	56	32.1 Å²	32.1	26%	0.262	15%	0.149	S	C	.	.	H	α-helix	trans	-57.8	-38.7	176.1	-80.6	-63.7	121.7	0	0	112.3	M51 I432 K440 Y445	M51-E436 HydrophobicContact CE-CG 3.78Å; M51-E436 VanDerWaalsContact CE-OE1 3.28Å; M51-E436 WeakPolarHBondContact CE-OE1 3.2Å; I432-E436 HydrophobicContact CG2-CG 4.27Å; I432-E436 WeakPolarHBondContact O-CB 3.37Å; I432-E436 WeakPolarHBondContact O-CG 3.12Å; I432-E436 PolarHBondContact O-N 2.94Å; E436-K440 WeakPolarHBondContact O-CB 3.39Å; E436-K440 IonicContact OE1-NZ 3.75Å; E436-K440 WeakPolarHBondContact OE2-CD 3.25Å; E436-K440 IonicContact OE2-NZ 3.8Å; E436-K440 PolarHBondContact OE2-NZ 3.48Å; E436-Y445 VanDerWaalsContact OE1-CE1 3.28Å; E436-Y445 WeakPolarHBondContact OE1-CE1 3.29Å; E436-Y445 VanDerWaalsContact OE1-CZ 3.25Å; E436-Y445 PolarHBondContact OE1-OH 2.83Å
437	R	98.7	Very high	98.7	Very high	145 Å²	145	31 Å²	31	55%	0.547	14%	0.144	S	C	.	.	H	α-helix	trans	-76.3	-39.4	-176.6	-171.9	-176.4	-53.5	123	6.2	113	D384 E433 S434 I435	D384-R437 IonicContact OD2-NH1 2.76Å; E433-R437 WeakPolarHBondContact O-CB 3.42Å; E433-R437 PolarHBondContact O-N 2.98Å; E433-R437 VanDerWaalsContact O-N 3.07Å; S434-R437 PolarHBondContact O-N 3.24Å; I435-R437 PolarHBondContact O-N 3.17Å
438	H	98.7	Very high	98.7	Very high	40 Å²	40	31.1 Å²	31.1	19%	0.185	14%	0.144	C	C	.	.	H	α-helix	trans	-108.4	-32.5	-166.8	-62.8	-57.7	0	0	0	114	D384 S434 I435 L448 K454 L456	D384-H438 IonicContact OD2-NE2 2.73Å; S434-H438 WeakPolarHBondContact O-CB 3.49Å; S434-H438 PolarHBondContact O-CD2 3.15Å; S434-H438 VanDerWaalsContact O-CD2 3.24Å; S434-H438 PolarHBondContact O-N 3.47Å; I435-H438 PolarHBondContact O-N 3.11Å; H438-L448 HydrophobicContact CB-CD1 4.27Å; H438-L448 HydrophobicContact CB-CD2 4Å; H438-K454 HydrophobicContact CB-CD 4.23Å; H438-L456 WeakPolarHBondContact O-CD2 3.48Å
439	A	98.7	Very high	98.7	Very high	1 Å²	1	36 Å²	36	1%	0.008	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-21.6	-171.9	0	0	0	0	0	113.7	L404 I435 T441 Y445 A446 L448	L404-A439 HydrophobicContact CD2-CB 3.64Å; I435-A439 HydrophobicContact CG2-CB 4.2Å; I435-A439 WeakPolarHBondContact O-CB 3.03Å; I435-A439 PolarHBondContact O-N 2.78Å; A439-T441 PolarHBondContact O-N 3.41Å; A439-Y445 HydrophobicContact CB-CD1 4.31Å; A439-Y445 CarbonylContact O-C 3.59Å; A439-Y445 VanDerWaalsContact O-CA 3.3Å; A439-Y445 WeakPolarHBondContact O-CA 3.41Å; A439-A446 VanDerWaalsContact CB-O 3.28Å; A439-A446 WeakPolarHBondContact CB-O 3.25Å; A439-A446 PolarHBondContact O-N 3.05Å; A439-L448 HydrophobicContact CB-CD2 4.3Å
440	K	98.8	Very high	98.7	Very high	92 Å²	92	34.5 Å²	34.5	40%	0.4	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.4	-175	-168.9	177.3	-164.5	163.5	0	112.6	I435 E436 Y445	I435-K440 PolarHBondContact O-N 3.45Å; E436-K440 WeakPolarHBondContact O-CB 3.39Å; E436-K440 IonicContact OE1-NZ 3.75Å; E436-K440 WeakPolarHBondContact OE2-CD 3.25Å; E436-K440 IonicContact OE2-NZ 3.8Å; E436-K440 PolarHBondContact OE2-NZ 3.48Å; K440-Y445 HydrophobicContact CB-CD1 3.99Å; K440-Y445 HydrophobicContact CB-CE1 3.71Å; K440-Y445 HydrophobicContact CD-CE1 4.35Å; K440-Y445 HydrophobicContact CG-CD1 4.43Å; K440-Y445 HydrophobicContact CG-CE1 3.87Å
441	T	98.7	Very high	98.7	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.117	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	179.1	173	73.4	0	0	0	0	110.6	H54 P71 I72 A439 C443 G444 A446 L456	H54-T441 PolarHBondContact CE1-O 3.2Å; H54-T441 PolarHBondContact NE2-O 3.41Å; P71-T441 VanDerWaalsContact C-OG1 3.26Å; P71-T441 HydrophobicContact CB-CG2 4.39Å; P71-T441 WeakPolarHBondContact CB-OG1 3.24Å; P71-T441 WeakPolarHBondContact O-CB 3.37Å; P71-T441 PolarHBondContact O-OG1 3.34Å; I72-T441 HydrophobicContact CG1-CG2 3.87Å; A439-T441 PolarHBondContact O-N 3.41Å; T441-C443 PolarHBondContact O-N 2.93Å; T441-C443 PolarHBondContact OG1-N 3.33Å; T441-G444 PolarHBondContact N-O 3.41Å; T441-G444 PolarHBondContact OG1-N 3.5Å; T441-G444 VanDerWaalsContact OG1-N 3.07Å; T441-G444 PolarHBondContact OG1-O 2.92Å; T441-A446 HydrophobicContact CG2-CB 3.69Å; T441-L456 HydrophobicContact CG2-CD1 4.36Å
442	D	98.1	Very high	98.6	Very high	151 Å²	151	38.8 Å²	38.8	81%	0.807	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.9	176.9	-72.5	-14.6	0	0	0	113.6	H54	H54-D442 PolarHBondContact CE1-O 2.95Å; H54-D442 VanDerWaalsContact CE1-O 3.29Å
443	C	98.5	Very high	98.6	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.034	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	8.8	-175	-64.4	0	0	0	0	114	S58 Y62 L69 P71 C74 T441	S58-C443 WeakPolarHBondContact CB-O 3.47Å; S58-C443 PolarHBondContact OG-O 2.88Å; Y62-C443 HydrophobicContact CD2-CB 4.32Å; Y62-C443 HydrophobicContact CE2-CB 4.4Å; Y62-C443 VanDerWaalsContact CE2-SG 3.55Å; L69-C443 WeakPolarHBondContact CD2-O 3.48Å; P71-C443 WeakPolarHBondContact O-CB 3.45Å; C74-C443 HydrophobicContact CB-CB 3.77Å; C74-C443 WeakPolarHBondContact CB-SG 3.43Å; C74-C443 WeakPolarHBondContact SG-CB 3.45Å; C74-C443 CovalentContact SG-SG 2.02Å; C74-C443 PolarHBondContact SG-SG 3.37Å; T441-C443 PolarHBondContact O-N 2.93Å; T441-C443 PolarHBondContact OG1-N 3.33Å
444	G	98.7	Very high	98.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-139.6	176.6	0	0	0	0	0	112.3	H54 T441	H54-G444 PolarHBondContact NE2-N 3.02Å; T441-G444 PolarHBondContact N-O 3.41Å; T441-G444 PolarHBondContact OG1-N 3.5Å; T441-G444 VanDerWaalsContact OG1-N 3.07Å; T441-G444 PolarHBondContact OG1-O 2.92Å
445	Y	98.9	Very high	98.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.5	177.8	-62.6	-98.6	0	0	0	108.9	M51 H54 A55 P71 I435 E436 A439 K440 M460 F464	M51-Y445 VanDerWaalsContact CA-OH 3.32Å; M51-Y445 WeakPolarHBondContact CA-OH 3.4Å; M51-Y445 HydrophobicContact CB-CE2 4.43Å; M51-Y445 HydrophobicContact CE-CE1 4.11Å; M51-Y445 HydrophobicContact CG-CD2 4.46Å; M51-Y445 HydrophobicContact CG-CE1 4.04Å; M51-Y445 HydrophobicContact CG-CE2 3.72Å; M51-Y445 VanDerWaalsContact CG-CZ 3.49Å; M51-Y445 WeakPolarHBondContact CG-OH 3.13Å; M51-Y445 WeakPolarHBondContact O-CE2 3.37Å; H54-Y445 HydrophobicContact CB-CE2 4.37Å; H54-Y445 AromaticContact CD2-CE2 3.63Å; H54-Y445 AromaticContact CD2-CZ 4Å; A55-Y445 HydrophobicContact CB-CD2 3.99Å; A55-Y445 HydrophobicContact CB-CE2 4.19Å; P71-Y445 WeakPolarHBondContact CG-O 3.42Å; I435-Y445 HydrophobicContact CG2-CD1 3.56Å; I435-Y445 HydrophobicContact CG2-CE1 3.95Å; I435-Y445 HydrophobicContact CG2-CG 4.41Å; E436-Y445 VanDerWaalsContact OE1-CE1 3.28Å; E436-Y445 WeakPolarHBondContact OE1-CE1 3.29Å; E436-Y445 VanDerWaalsContact OE1-CZ 3.25Å; E436-Y445 PolarHBondContact OE1-OH 2.83Å; A439-Y445 HydrophobicContact CB-CD1 4.31Å; A439-Y445 CarbonylContact O-C 3.59Å; A439-Y445 VanDerWaalsContact O-CA 3.3Å; A439-Y445 WeakPolarHBondContact O-CA 3.41Å; K440-Y445 HydrophobicContact CB-CD1 3.99Å; K440-Y445 HydrophobicContact CB-CE1 3.71Å; K440-Y445 HydrophobicContact CD-CE1 4.35Å; K440-Y445 HydrophobicContact CG-CD1 4.43Å; K440-Y445 HydrophobicContact CG-CE1 3.87Å; Y445-M460 VanDerWaalsContact O-CB 3.25Å; Y445-M460 WeakPolarHBondContact O-CB 3.15Å; Y445-M460 VanDerWaalsContact O-CG 3.28Å; Y445-M460 WeakPolarHBondContact O-CG 3.45Å; Y445-F464 HydrophobicContact CD1-CZ 4.02Å; Y445-F464 HydrophobicContact CD2-CD1 4.28Å; Y445-F464 AromaticContact CD2-CE1 3.21Å; Y445-F464 HydrophobicContact CD2-CE1 3.21Å; Y445-F464 AromaticContact CD2-CZ 3.45Å; Y445-F464 HydrophobicContact CD2-CZ 3.45Å; Y445-F464 VanDerWaalsContact CD2-CZ 3.45Å; Y445-F464 AromaticContact CE2-CE1 3.94Å; Y445-F464 HydrophobicContact CE2-CE1 3.94Å; Y445-F464 HydrophobicContact CE2-CZ 4.05Å; Y445-F464 AromaticContact CG-CE1 3.62Å; Y445-F464 HydrophobicContact CG-CE1 3.62Å; Y445-F464 HydrophobicContact CG-CE2 4.36Å; Y445-F464 AromaticContact CG-CZ 3.45Å; Y445-F464 HydrophobicContact CG-CZ 3.45Å; Y445-F464 VanDerWaalsContact CG-CZ 3.45Å
446	A	98.7	Very high	98.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.			trans	-86.5	144.3	178.3	0	0	0	0	0	110.8	P71 I72 A439 T441 L456 E457 R459	P71-A446 HydrophobicContact CG-CB 3.9Å; I72-A446 HydrophobicContact CD1-CB 4.2Å; I72-A446 HydrophobicContact CG1-CB 4.03Å; A439-A446 VanDerWaalsContact CB-O 3.28Å; A439-A446 WeakPolarHBondContact CB-O 3.25Å; A439-A446 PolarHBondContact O-N 3.05Å; T441-A446 HydrophobicContact CG2-CB 3.69Å; A446-L456 HydrophobicContact CB-CB 4.15Å; A446-L456 HydrophobicContact CB-CD1 4.15Å; A446-L456 HydrophobicContact CB-CD2 4Å; A446-L456 HydrophobicContact CB-CG 4.34Å; A446-E457 WeakPolarHBondContact CB-O 3.4Å; A446-R459 WeakPolarHBondContact CA-O 3.45Å
447	T	98.6	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	137.2	164.2	-74.9	0	0	0	0	111.5	F401 P403 H449 L456 E457 R459 E461	F401-T447 HydrophobicContact CD2-CG2 3.83Å; F401-T447 HydrophobicContact CE1-CG2 4.31Å; F401-T447 HydrophobicContact CE2-CG2 3.15Å; F401-T447 HydrophobicContact CZ-CG2 3.44Å; F401-T447 VanDerWaalsContact CZ-CG2 3.44Å; P403-T447 WeakPolarHBondContact CA-OG1 3.49Å; P403-T447 HydrophobicContact CB-CG2 4.03Å; T447-H449 PolarHBondContact O-N 3.37Å; T447-L456 WeakPolarHBondContact O-CA 3.44Å; T447-E457 HydrophobicContact CG2-CB 4.17Å; T447-E457 PolarHBondContact N-O 3.2Å; T447-E457 PolarHBondContact O-N 3.01Å; T447-R459 PolarHBondContact N-O 2.49Å; T447-R459 PolarHBondContact OG1-O 3.27Å; T447-E461 PolarHBondContact OG1-OE1 3.38Å; T447-E461 PolarHBondContact OG1-OE2 2.72Å
448	L	98.6	Very high	98.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	112.1	167.8	-56.3	-173.5	0	0	0	107.8	Y402 H438 A439 S450 V451 K454 S455 L456	Y402-L448 HydrophobicContact CD1-CD1 3.98Å; Y402-L448 HydrophobicContact CD1-CG 4.15Å; Y402-L448 PolarHBondContact N-O 2.94Å; Y402-L448 PolarHBondContact O-N 2.98Å; H438-L448 HydrophobicContact CB-CD1 4.27Å; H438-L448 HydrophobicContact CB-CD2 4Å; A439-L448 HydrophobicContact CB-CD2 4.3Å; L448-S450 PolarHBondContact O-N 3.25Å; L448-V451 HydrophobicContact CD1-CG1 4.36Å; L448-K454 HydrophobicContact CD1-CD 4.11Å; L448-S455 CarbonylContact C-O 3.54Å; L448-S455 WeakPolarHBondContact CA-O 3.32Å; L448-L456 HydrophobicContact CD2-CD2 3.51Å
449	H	98.4	Very high	98.4	Very high	103 Å²	103	42.9 Å²	42.9	48%	0.477	22%	0.218	S	C	.	.	S	Bend	trans	-59.8	-35.6	172.4	-176.4	72.8	0	0	0	110.8	F401 T447 S455 E457	F401-H449 WeakPolarHBondContact CA-O 3.49Å; T447-H449 PolarHBondContact O-N 3.37Å; H449-S455 PolarHBondContact N-O 3.24Å; H449-E457 HydrophobicContact CB-CB 4.25Å; H449-E457 IonicContact ND1-OE2 2.71Å; H449-E457 PolarHBondContact ND1-OE2 3.45Å; H449-E457 VanDerWaalsContact ND1-OE2 3.17Å
450	S	98.6	Very high	98.4	Very high	13 Å²	13	42.9 Å²	42.9	9%	0.091	22%	0.218	C	C	.	.			trans	-146.1	124.3	174.5	166.9	0	0	0	0	111.7	A400 L448 I452 D453 K454	A400-S450 CarbonylContact O-C 3.32Å; A400-S450 WeakPolarHBondContact O-CA 3.35Å; L448-S450 PolarHBondContact O-N 3.25Å; S450-I452 PolarHBondContact O-N 3.31Å; S450-I452 PolarHBondContact OG-N 3Å; S450-I452 VanDerWaalsContact OG-N 3.16Å; S450-D453 VanDerWaalsContact CB-OD1 3.27Å; S450-D453 WeakPolarHBondContact CB-OD1 3.18Å; S450-D453 PolarHBondContact OG-OD1 3.2Å; S450-K454 VanDerWaalsContact O-CA 3.23Å; S450-K454 WeakPolarHBondContact O-CA 3.41Å; S450-K454 PolarHBondContact O-N 3.34Å
451	V	98.5	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.3	171.2	-60.3	0	0	0	0	112.8	Y383 P387 P397 A400 Y402 L448 K454	Y383-V451 HydrophobicContact CD1-CG2 4.17Å; Y383-V451 HydrophobicContact CG-CG2 3.96Å; P387-V451 HydrophobicContact CB-CG2 3.81Å; P387-V451 HydrophobicContact CG-CG2 4.32Å; P397-V451 HydrophobicContact CG-CG2 4.12Å; A400-V451 HydrophobicContact CB-CG2 4.44Å; A400-V451 WeakPolarHBondContact O-CG1 3.4Å; A400-V451 WeakPolarHBondContact O-CG2 3.3Å; A400-V451 PolarHBondContact O-N 3.02Å; Y402-V451 HydrophobicContact CG-CG1 4.41Å; L448-V451 HydrophobicContact CD1-CG1 4.36Å; V451-K454 PolarHBondContact O-NZ 3.27Å
452	I	98.2	Very high	98.4	Very high	109 Å²	109	38.1 Å²	38.1	56%	0.559	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-56.4	177.8	-59.6	175.2	0	0	0	109.9	P397 A400 S450	P397-I452 HydrophobicContact CG-CD1 4.12Å; P397-I452 HydrophobicContact CG-CG1 4.13Å; A400-I452 HydrophobicContact CB-CD1 4.41Å; A400-I452 HydrophobicContact CB-CG1 4.45Å; S450-I452 PolarHBondContact O-N 3.31Å; S450-I452 PolarHBondContact OG-N 3Å; S450-I452 VanDerWaalsContact OG-N 3.16Å
453	D	98.1	Very high	98.4	Very high	107 Å²	107	31.5 Å²	31.5	57%	0.572	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.7	-175.8	62.7	22.2	0	0	0	114	S450 S455	S450-D453 VanDerWaalsContact CB-OD1 3.27Å; S450-D453 WeakPolarHBondContact CB-OD1 3.18Å; S450-D453 PolarHBondContact OG-OD1 3.2Å; D453-S455 PolarHBondContact O-N 3.41Å; D453-S455 VanDerWaalsContact OD1-CB 3.23Å; D453-S455 WeakPolarHBondContact OD1-CB 3.47Å; D453-S455 PolarHBondContact OD1-N 3.47Å; D453-S455 PolarHBondContact OD1-OG 2.9Å
454	K	98.4	Very high	98.4	Very high	52 Å²	52	31.3 Å²	31.3	23%	0.226	16%	0.158	C	C	.	.			trans	62.6	24.9	-178.4	-50.9	-61.3	-167	-71.7	0	113.6	Y383 H438 L448 S450 V451	Y383-K454 WeakPolarHBondContact O-CE 3.48Å; Y383-K454 PolarHBondContact O-NZ 3.26Å; H438-K454 HydrophobicContact CB-CD 4.23Å; L448-K454 HydrophobicContact CD1-CD 4.11Å; S450-K454 VanDerWaalsContact O-CA 3.23Å; S450-K454 WeakPolarHBondContact O-CA 3.41Å; S450-K454 PolarHBondContact O-N 3.34Å; V451-K454 PolarHBondContact O-NZ 3.27Å
455	S	98.5	Very high	98.4	Very high	42 Å²	42	31.3 Å²	31.3	29%	0.294	16%	0.158	S	C	.	.			trans	-62.1	147.6	168.9	53.7	0	0	0	0	111.1	L448 H449 D453	L448-S455 CarbonylContact C-O 3.54Å; L448-S455 WeakPolarHBondContact CA-O 3.32Å; H449-S455 PolarHBondContact N-O 3.24Å; D453-S455 PolarHBondContact O-N 3.41Å; D453-S455 VanDerWaalsContact OD1-CB 3.23Å; D453-S455 WeakPolarHBondContact OD1-CB 3.47Å; D453-S455 PolarHBondContact OD1-N 3.47Å; D453-S455 PolarHBondContact OD1-OG 2.9Å
456	L	98.6	Very high	98.4	Very high	68 Å²	68	31.3 Å²	31.3	36%	0.356	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.1	-174.8	-63.9	-177.6	0	0	0	111.9	I72 H438 T441 A446 T447 L448	I72-L456 HydrophobicContact CD1-CB 3.81Å; I72-L456 HydrophobicContact CD1-CD1 4.5Å; H438-L456 WeakPolarHBondContact O-CD2 3.48Å; T441-L456 HydrophobicContact CG2-CD1 4.36Å; A446-L456 HydrophobicContact CB-CB 4.15Å; A446-L456 HydrophobicContact CB-CD1 4.15Å; A446-L456 HydrophobicContact CB-CD2 4Å; A446-L456 HydrophobicContact CB-CG 4.34Å; T447-L456 WeakPolarHBondContact O-CA 3.44Å; L448-L456 HydrophobicContact CD2-CD2 3.51Å
457	E	97.8	Very high	98.4	Very high	76 Å²	76	31.6 Å²	31.6	36%	0.355	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.6	167.3	-170.9	168.9	137	0	0	109.1	A446 T447 H449 R459	A446-E457 WeakPolarHBondContact CB-O 3.4Å; T447-E457 HydrophobicContact CG2-CB 4.17Å; T447-E457 PolarHBondContact N-O 3.2Å; T447-E457 PolarHBondContact O-N 3.01Å; H449-E457 HydrophobicContact CB-CB 4.25Å; H449-E457 IonicContact ND1-OE2 2.71Å; H449-E457 PolarHBondContact ND1-OE2 3.45Å; H449-E457 VanDerWaalsContact ND1-OE2 3.17Å; E457-R459 PolarHBondContact O-N 3.39Å
458	D	98.1	Very high	98.4	Very high	25 Å²	25	31.6 Å²	31.6	13%	0.134	16%	0.159	C	C	.	.	S	Bend	trans	-77.4	69.1	-173.1	-164.6	14.6	0	0	0	112	D70 P71 I72 N73 R77	D70-D458 WeakPolarHBondContact CA-OD1 3.18Å; P71-D458 WeakPolarHBondContact CD-OD1 3.33Å; I72-D458 WeakPolarHBondContact CA-OD1 3.25Å; I72-D458 HydrophobicContact CB-CB 4.15Å; I72-D458 VanDerWaalsContact CB-OD1 3.29Å; I72-D458 WeakPolarHBondContact CB-OD1 3.21Å; I72-D458 HydrophobicContact CD1-CB 3.92Å; I72-D458 HydrophobicContact CG1-CB 4.17Å; I72-D458 PolarHBondContact N-OD1 3.38Å; N73-D458 VanDerWaalsContact CB-OD2 3.3Å; N73-D458 WeakPolarHBondContact CB-OD2 3.29Å; N73-D458 VanDerWaalsContact CG-OD2 3.25Å; N73-D458 PolarHBondContact N-OD2 3.44Å; N73-D458 PolarHBondContact ND2-OD2 2.99Å; R77-D458 PolarHBondContact NH1-O 3.39Å; R77-D458 VanDerWaalsContact NH1-O 3.13Å; R77-D458 PolarHBondContact NH2-O 3.47Å
459	R	97.5	Very high	98.4	Very high	35 Å²	35	31.4 Å²	31.4	13%	0.132	16%	0.159	C	C	.	.			trans	-145.7	137.8	176.2	-172.8	162.1	-171.3	-172.8	-3.7	110	E68 R77 N88 A446 T447 E457 E461	E68-R459 IonicContact OE1-NH2 2.75Å; E68-R459 IonicContact OE2-CZ 3.73Å; E68-R459 IonicContact OE2-NE 2.89Å; E68-R459 PolarHBondContact OE2-NE 3.35Å; E68-R459 VanDerWaalsContact OE2-NE 3.11Å; E68-R459 IonicContact OE2-NH2 3.06Å; E68-R459 PolarHBondContact OE2-NH2 2.76Å; R77-R459 VanDerWaalsContact NH1-CD 3.34Å; N88-R459 PolarHBondContact O-NH1 3.45Å; N88-R459 VanDerWaalsContact O-NH1 3.12Å; A446-R459 WeakPolarHBondContact CA-O 3.45Å; T447-R459 PolarHBondContact N-O 2.49Å; T447-R459 PolarHBondContact OG1-O 3.27Å; E457-R459 PolarHBondContact O-N 3.39Å; R459-E461 VanDerWaalsContact CD-OE1 3.22Å; R459-E461 WeakPolarHBondContact CD-OE1 3.42Å; R459-E461 HydrophobicContact CG-CG 4.26Å; R459-E461 WeakPolarHBondContact CG-OE1 3.09Å; R459-E461 IonicContact NE-OE1 2.89Å
460	M	98.5	Very high	98.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-126.4	103.7	163.9	-170.8	175.5	72.6	0	0	108.2	A55 L69 P71 Y445 F464 L465	A55-M460 HydrophobicContact CB-CE 3.85Å; A55-M460 HydrophobicContact CB-SD 3.6Å; A55-M460 VanDerWaalsContact CB-SD 3.6Å; L69-M460 HydrophobicContact CB-CE 4.11Å; L69-M460 HydrophobicContact CD2-CE 3.81Å; L69-M460 HydrophobicContact CG-CE 4.49Å; L69-M460 PolarHBondContact O-N 3.22Å; L69-M460 VanDerWaalsContact O-N 3.15Å; P71-M460 HydrophobicContact CB-CB 4.41Å; P71-M460 HydrophobicContact CG-CB 4.05Å; Y445-M460 VanDerWaalsContact O-CB 3.25Å; Y445-M460 WeakPolarHBondContact O-CB 3.15Å; Y445-M460 VanDerWaalsContact O-CG 3.28Å; Y445-M460 WeakPolarHBondContact O-CG 3.45Å; M460-F464 HydrophobicContact CG-CB 4.24Å; M460-F464 HydrophobicContact CG-CD1 4.02Å; M460-F464 HydrophobicContact CG-CG 4.39Å; M460-F464 HydrophobicContact SD-CD1 3.81Å; M460-F464 HydrophobicContact SD-CE1 4.31Å; M460-L465 HydrophobicContact CE-CD1 4.26Å
461	E	98.1	Very high	98.5	Very high	10 Å²	10	26 Å²	26	5%	0.047	13%	0.132	C	C	.	.			trans	-63.9	144.6	178.6	-69.3	77.8	176.9	0	0	110.4	E68 P403 T447 R459 F463 F464	E68-E461 WeakPolarHBondContact OE1-CA 3.22Å; P403-E461 WeakPolarHBondContact CB-OE1 3.31Å; T447-E461 PolarHBondContact OG1-OE1 3.38Å; T447-E461 PolarHBondContact OG1-OE2 2.72Å; R459-E461 VanDerWaalsContact CD-OE1 3.22Å; R459-E461 WeakPolarHBondContact CD-OE1 3.42Å; R459-E461 HydrophobicContact CG-CG 4.26Å; R459-E461 WeakPolarHBondContact CG-OE1 3.09Å; R459-E461 IonicContact NE-OE1 2.89Å; E461-F463 HydrophobicContact CB-CD1 3.78Å; E461-F463 HydrophobicContact CB-CD2 4.29Å; E461-F463 HydrophobicContact CB-CE1 3.37Å; E461-F463 HydrophobicContact CB-CE2 3.9Å; E461-F463 HydrophobicContact CB-CG 4.21Å; E461-F463 HydrophobicContact CB-CZ 3.42Å; E461-F463 VanDerWaalsContact CB-CZ 3.42Å; E461-F463 HydrophobicContact CG-CD1 4.47Å; E461-F463 HydrophobicContact CG-CE1 3.63Å; E461-F463 HydrophobicContact CG-CZ 3.64Å; E461-F463 PolarHBondContact O-N 3.47Å; E461-F464 WeakPolarHBondContact O-CB 3.46Å; E461-F464 PolarHBondContact O-N 3.08Å
462	S	98.4	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-52.9	-38.5	179.4	47.1	0	0	0	0	113.8	E68 L98 S99 D102 F464 L465 S466	E68-S462 PolarHBondContact OE1-N 2.87Å; L98-S462 VanDerWaalsContact CD2-OG 3.32Å; L98-S462 WeakPolarHBondContact CD2-OG 3.47Å; S99-S462 WeakPolarHBondContact OG-CB 3.25Å; D102-S462 VanDerWaalsContact OD2-CB 3.28Å; D102-S462 WeakPolarHBondContact OD2-CB 3.2Å; D102-S462 PolarHBondContact OD2-OG 2.96Å; S462-F464 PolarHBondContact O-N 3.2Å; S462-F464 VanDerWaalsContact O-N 3.13Å; S462-L465 PolarHBondContact O-N 3.32Å; S462-S466 PolarHBondContact O-N 3.16Å; S462-S466 VanDerWaalsContact O-N 3.13Å
463	F	98.4	Very high	98.5	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.057	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-19	178.1	63.7	-113.1	0	0	0	114.6	P403 R405 P406 E461 L465 S466 E467 T468	P403-F463 HydrophobicContact CB-CZ 4.34Å; P403-F463 HydrophobicContact CG-CZ 4.4Å; P403-F463 WeakPolarHBondContact O-CE2 3.34Å; P403-F463 VanDerWaalsContact O-CZ 3.26Å; P403-F463 WeakPolarHBondContact O-CZ 3.31Å; R405-F463 HydrophobicContact CG-CE2 4.48Å; R405-F463 HydrophobicContact CG-CZ 4.42Å; P406-F463 HydrophobicContact CG-CD2 4.45Å; E461-F463 HydrophobicContact CB-CD1 3.78Å; E461-F463 HydrophobicContact CB-CD2 4.29Å; E461-F463 HydrophobicContact CB-CE1 3.37Å; E461-F463 HydrophobicContact CB-CE2 3.9Å; E461-F463 HydrophobicContact CB-CG 4.21Å; E461-F463 HydrophobicContact CB-CZ 3.42Å; E461-F463 VanDerWaalsContact CB-CZ 3.42Å; E461-F463 HydrophobicContact CG-CD1 4.47Å; E461-F463 HydrophobicContact CG-CE1 3.63Å; E461-F463 HydrophobicContact CG-CZ 3.64Å; E461-F463 PolarHBondContact O-N 3.47Å; F463-L465 VanDerWaalsContact C-N 3.26Å; F463-L465 PolarHBondContact O-N 3.23Å; F463-S466 VanDerWaalsContact CA-OG 3.28Å; F463-S466 WeakPolarHBondContact CA-OG 3.32Å; F463-E467 HydrophobicContact CB-CG 4.32Å; F463-E467 WeakPolarHBondContact O-CA 3.29Å; F463-E467 VanDerWaalsContact O-CB 3.32Å; F463-E467 WeakPolarHBondContact O-CB 3.11Å; F463-E467 PolarHBondContact O-N 3.03Å; F463-T468 PolarHBondContact O-N 2.78Å; F463-T468 VanDerWaalsContact O-N 3.11Å
464	F	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-61.6	-40.8	173.7	178.3	-106.8	0	0	0	111	M51 A55 L404 I435 Y445 M460 E461 S462 T468 T469	M51-F464 HydrophobicContact CG-CE1 4.4Å; M51-F464 HydrophobicContact CG-CZ 3.82Å; M51-F464 HydrophobicContact SD-CE2 4.4Å; M51-F464 HydrophobicContact SD-CZ 3.92Å; A55-F464 HydrophobicContact CB-CD1 4.31Å; A55-F464 HydrophobicContact CB-CE1 4.01Å; L404-F464 HydrophobicContact CB-CB 4.48Å; L404-F464 HydrophobicContact CB-CD2 3.61Å; L404-F464 HydrophobicContact CB-CE2 4.26Å; L404-F464 HydrophobicContact CB-CG 4.35Å; L404-F464 HydrophobicContact CD1-CD2 3.72Å; L404-F464 HydrophobicContact CD1-CE2 4.02Å; L404-F464 HydrophobicContact CD1-CG 4.02Å; L404-F464 HydrophobicContact CG-CD2 4.27Å; I435-F464 HydrophobicContact CG2-CE2 4.14Å; I435-F464 HydrophobicContact CG2-CZ 4.31Å; Y445-F464 HydrophobicContact CD1-CZ 4.02Å; Y445-F464 HydrophobicContact CD2-CD1 4.28Å; Y445-F464 AromaticContact CD2-CE1 3.21Å; Y445-F464 HydrophobicContact CD2-CE1 3.21Å; Y445-F464 AromaticContact CD2-CZ 3.45Å; Y445-F464 HydrophobicContact CD2-CZ 3.45Å; Y445-F464 VanDerWaalsContact CD2-CZ 3.45Å; Y445-F464 AromaticContact CE2-CE1 3.94Å; Y445-F464 HydrophobicContact CE2-CE1 3.94Å; Y445-F464 HydrophobicContact CE2-CZ 4.05Å; Y445-F464 AromaticContact CG-CE1 3.62Å; Y445-F464 HydrophobicContact CG-CE1 3.62Å; Y445-F464 HydrophobicContact CG-CE2 4.36Å; Y445-F464 AromaticContact CG-CZ 3.45Å; Y445-F464 HydrophobicContact CG-CZ 3.45Å; Y445-F464 VanDerWaalsContact CG-CZ 3.45Å; M460-F464 HydrophobicContact CG-CB 4.24Å; M460-F464 HydrophobicContact CG-CD1 4.02Å; M460-F464 HydrophobicContact CG-CG 4.39Å; M460-F464 HydrophobicContact SD-CD1 3.81Å; M460-F464 HydrophobicContact SD-CE1 4.31Å; E461-F464 WeakPolarHBondContact O-CB 3.46Å; E461-F464 PolarHBondContact O-N 3.08Å; S462-F464 PolarHBondContact O-N 3.2Å; S462-F464 VanDerWaalsContact O-N 3.13Å; F464-T468 HydrophobicContact CD2-CG2 3.98Å; F464-T468 HydrophobicContact CE2-CG2 4.08Å; F464-T469 HydrophobicContact CD1-CG2 4.29Å; F464-T469 HydrophobicContact CD2-CG2 4.49Å; F464-T469 HydrophobicContact CE1-CG2 3.76Å; F464-T469 HydrophobicContact CE2-CG2 4.03Å; F464-T469 HydrophobicContact CZ-CG2 3.64Å; F464-T469 WeakPolarHBondContact O-CB 3.48Å; F464-T469 WeakPolarHBondContact O-CG2 3.41Å; F464-T469 PolarHBondContact O-N 2.9Å; F464-T469 PolarHBondContact O-OG1 2.84Å
465	L	98.8	Very high	98.6	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.071	C	C	.	.	I	π-helix	trans	-81.5	-39.9	176.9	-70	176.2	0	0	0	112.4	F52 A55 Y56 T106 M460 S462 F463 T469	F52-L465 HydrophobicContact CD2-CD2 3.75Å; F52-L465 HydrophobicContact CE2-CB 4.14Å; F52-L465 HydrophobicContact CE2-CD2 3.89Å; F52-L465 WeakPolarHBondContact CE2-O 3.39Å; F52-L465 HydrophobicContact CG-CD2 4.45Å; A55-L465 HydrophobicContact CB-CD2 3.56Å; A55-L465 HydrophobicContact CB-CG 4.42Å; Y56-L465 HydrophobicContact CD2-CD1 4.48Å; T106-L465 WeakPolarHBondContact CG2-O 3.32Å; T106-L465 PolarHBondContact OG1-O 3.5Å; M460-L465 HydrophobicContact CE-CD1 4.26Å; S462-L465 PolarHBondContact O-N 3.32Å; F463-L465 VanDerWaalsContact C-N 3.26Å; F463-L465 PolarHBondContact O-N 3.23Å; L465-T469 WeakPolarHBondContact CA-OG1 3.28Å; L465-T469 PolarHBondContact O-OG1 3.39Å
466	S	98.7	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-79.8	-23.9	-176.9	70.3	0	0	0	0	112.6	D102 T106 S462 F463 K470	D102-S466 WeakPolarHBondContact O-CB 3.45Å; D102-S466 WeakPolarHBondContact OD1-CB 3.5Å; D102-S466 PolarHBondContact OD1-OG 2.77Å; D102-S466 PolarHBondContact OD2-OG 2.85Å; T106-S466 WeakPolarHBondContact OG1-CA 3.17Å; T106-S466 PolarHBondContact OG1-O 3.07Å; S462-S466 PolarHBondContact O-N 3.16Å; S462-S466 VanDerWaalsContact O-N 3.13Å; F463-S466 VanDerWaalsContact CA-OG 3.28Å; F463-S466 WeakPolarHBondContact CA-OG 3.32Å; S466-K470 WeakPolarHBondContact O-CB 3.49Å; S466-K470 VanDerWaalsContact O-CD 3.23Å; S466-K470 WeakPolarHBondContact O-CD 3.32Å; S466-K470 WeakPolarHBondContact O-CE 3.47Å; S466-K470 PolarHBondContact O-NZ 3.38Å
467	E	98.8	Very high	98.6	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.023	5%	0.047	C	C	.	.	I	π-helix	trans	-130.6	-62.7	-172.5	-58.8	-165.5	-95.4	0	0	114.1	P406 F463 T469 K470 Y471 T493 E494 G495	P406-E467 HydrophobicContact CB-CB 3.41Å; P406-E467 VanDerWaalsContact CB-CB 3.41Å; P406-E467 HydrophobicContact CB-CG 4.47Å; P406-E467 HydrophobicContact CG-CB 3.76Å; P406-E467 HydrophobicContact CG-CG 4.38Å; P406-E467 WeakPolarHBondContact CG-OE1 3.37Å; F463-E467 HydrophobicContact CB-CG 4.32Å; F463-E467 WeakPolarHBondContact O-CA 3.29Å; F463-E467 VanDerWaalsContact O-CB 3.32Å; F463-E467 WeakPolarHBondContact O-CB 3.11Å; F463-E467 PolarHBondContact O-N 3.03Å; E467-T469 PolarHBondContact O-N 3.35Å; E467-K470 CarbonylContact O-C 3.51Å; E467-K470 WeakPolarHBondContact O-CA 3.28Å; E467-K470 WeakPolarHBondContact O-CB 3.38Å; E467-K470 PolarHBondContact O-N 3.35Å; E467-Y471 HydrophobicContact CB-CD2 4.19Å; E467-Y471 HydrophobicContact CB-CE2 4.06Å; E467-Y471 HydrophobicContact CG-CE2 4.5Å; E467-Y471 VanDerWaalsContact O-CD2 3.32Å; E467-Y471 WeakPolarHBondContact O-CD2 3.47Å; E467-Y471 PolarHBondContact O-N 3.38Å; E467-T493 VanDerWaalsContact OE2-O 3.07Å; E467-E494 WeakPolarHBondContact CG-O 3.34Å; E467-E494 VanDerWaalsContact OE2-C 3.26Å; E467-E494 WeakPolarHBondContact OE2-CA 3.33Å; E467-G495 PolarHBondContact OE2-N 3.08Å
468	T	98.9	Very high	98.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-56.5	-50.7	-170.8	-59.3	0	0	0	0	111.1	L404 P406 V409 I435 F463 F464 L472	L404-T468 PolarHBondContact O-OG1 3.48Å; P406-T468 WeakPolarHBondContact CA-OG1 3.37Å; P406-T468 WeakPolarHBondContact CB-OG1 3.38Å; V409-T468 HydrophobicContact CG2-CG2 4.1Å; I435-T468 HydrophobicContact CD1-CG2 4.09Å; F463-T468 PolarHBondContact O-N 2.78Å; F463-T468 VanDerWaalsContact O-N 3.11Å; F464-T468 HydrophobicContact CD2-CG2 3.98Å; F464-T468 HydrophobicContact CE2-CG2 4.08Å; T468-L472 HydrophobicContact CG2-CD1 4.5Å; T468-L472 WeakPolarHBondContact O-CB 3.32Å; T468-L472 VanDerWaalsContact O-CG 3.3Å; T468-L472 WeakPolarHBondContact O-CG 3.48Å; T468-L472 PolarHBondContact O-N 3.07Å
469	T	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-71.3	-31.9	175.8	53.9	0	0	0	0	113.1	T48 M51 F52 F464 L465 E467 Y473	T48-T469 WeakPolarHBondContact CG2-O 3.35Å; M51-T469 HydrophobicContact CG-CG2 3.83Å; M51-T469 HydrophobicContact SD-CG2 3.93Å; F52-T469 HydrophobicContact CB-CG2 4.43Å; F52-T469 WeakPolarHBondContact CD2-OG1 3.35Å; F464-T469 HydrophobicContact CD1-CG2 4.29Å; F464-T469 HydrophobicContact CD2-CG2 4.49Å; F464-T469 HydrophobicContact CE1-CG2 3.76Å; F464-T469 HydrophobicContact CE2-CG2 4.03Å; F464-T469 HydrophobicContact CZ-CG2 3.64Å; F464-T469 WeakPolarHBondContact O-CB 3.48Å; F464-T469 WeakPolarHBondContact O-CG2 3.41Å; F464-T469 PolarHBondContact O-N 2.9Å; F464-T469 PolarHBondContact O-OG1 2.84Å; L465-T469 WeakPolarHBondContact CA-OG1 3.28Å; L465-T469 PolarHBondContact O-OG1 3.39Å; E467-T469 PolarHBondContact O-N 3.35Å; T469-Y473 VanDerWaalsContact O-CB 3.29Å; T469-Y473 WeakPolarHBondContact O-CB 3.45Å; T469-Y473 PolarHBondContact O-N 2.8Å
470	K	98.8	Very high	98.5	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-53.8	176.1	178.8	-170.9	-74.1	158.1	0	110.9	T105 T106 L109 S466 E467 L472 Y473 L474 F491 G495	T105-K470 PolarHBondContact OG1-NZ 2.87Å; T106-K470 HydrophobicContact CG2-CB 3.92Å; T106-K470 HydrophobicContact CG2-CG 4.39Å; T106-K470 WeakPolarHBondContact OG1-CE 3.23Å; L109-K470 HydrophobicContact CD1-CD 3.78Å; L109-K470 HydrophobicContact CD1-CG 4.03Å; S466-K470 WeakPolarHBondContact O-CB 3.49Å; S466-K470 VanDerWaalsContact O-CD 3.23Å; S466-K470 WeakPolarHBondContact O-CD 3.32Å; S466-K470 WeakPolarHBondContact O-CE 3.47Å; S466-K470 PolarHBondContact O-NZ 3.38Å; E467-K470 CarbonylContact O-C 3.51Å; E467-K470 WeakPolarHBondContact O-CA 3.28Å; E467-K470 WeakPolarHBondContact O-CB 3.38Å; E467-K470 PolarHBondContact O-N 3.35Å; K470-L472 PolarHBondContact O-N 3.27Å; K470-Y473 WeakPolarHBondContact O-CB 3.39Å; K470-Y473 PolarHBondContact O-N 2.02Å; K470-Y473 VanDerWaalsContact O-N 3.13Å; K470-L474 HydrophobicContact CG-CD1 4.01Å; K470-L474 HydrophobicContact CG-CG 4.47Å; K470-L474 VanDerWaalsContact O-CG 3.3Å; K470-L474 WeakPolarHBondContact O-CG 3.32Å; K470-L474 PolarHBondContact O-N 3.32Å; K470-F491 HydrophobicContact CD-CE1 4.32Å; K470-G495 WeakPolarHBondContact CD-O 3.41Å; K470-G495 PolarHBondContact NZ-O 3.14Å
471	Y	98.9	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-37.7	-179.1	-69.6	-55.6	0	0	0	112.3	P406 E410 Y413 F414 E467 Y473 L474 L475 F491 G495	P406-Y471 HydrophobicContact CB-CD2 4.42Å; E410-Y471 HydrophobicContact CB-CD2 3.85Å; E410-Y471 HydrophobicContact CB-CE2 3.74Å; E410-Y471 HydrophobicContact CB-CG 4.37Å; E410-Y471 HydrophobicContact CG-CD2 4.28Å; E410-Y471 HydrophobicContact CG-CE1 4.16Å; E410-Y471 HydrophobicContact CG-CE2 3.77Å; Y413-Y471 AromaticContact CD1-CD1 3.43Å; Y413-Y471 HydrophobicContact CD1-CD1 3.43Å; Y413-Y471 VanDerWaalsContact CD1-CD1 3.43Å; Y413-Y471 AromaticContact CD1-CE1 3.89Å; Y413-Y471 HydrophobicContact CD1-CE1 3.89Å; Y413-Y471 HydrophobicContact CD1-CG 4.45Å; Y413-Y471 AromaticContact CE1-CD1 3.9Å; Y413-Y471 HydrophobicContact CE1-CD1 3.9Å; Y413-Y471 HydrophobicContact CE1-CE1 4.11Å; Y413-Y471 HydrophobicContact CG-CD1 4.05Å; F414-Y471 HydrophobicContact CE2-CE1 4.16Å; E467-Y471 HydrophobicContact CB-CD2 4.19Å; E467-Y471 HydrophobicContact CB-CE2 4.06Å; E467-Y471 HydrophobicContact CG-CE2 4.5Å; E467-Y471 VanDerWaalsContact O-CD2 3.32Å; E467-Y471 WeakPolarHBondContact O-CD2 3.47Å; E467-Y471 PolarHBondContact O-N 3.38Å; Y471-Y473 VanDerWaalsContact C-N 3.31Å; Y471-Y473 PolarHBondContact O-N 3.25Å; Y471-L474 PolarHBondContact O-N 3.29Å; Y471-L475 VanDerWaalsContact O-CB 3.26Å; Y471-L475 WeakPolarHBondContact O-CB 3.44Å; Y471-L475 PolarHBondContact O-N 2.83Å; Y471-F491 HydrophobicContact CE1-CD1 4.08Å; Y471-F491 HydrophobicContact CE1-CE1 4.4Å; Y471-G495 WeakPolarHBondContact OH-CA 3.17Å
472	L	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-43.9	170.5	-76.4	173	0	0	0	111.1	T48 M51 V409 I431 I432 T468 K470 L475 F476	T48-L472 HydrophobicContact CG2-CB 3.48Å; T48-L472 VanDerWaalsContact CG2-CB 3.48Å; M51-L472 HydrophobicContact SD-CD1 4.3Å; V409-L472 HydrophobicContact CG1-CB 4.35Å; V409-L472 HydrophobicContact CG1-CD2 3.74Å; V409-L472 HydrophobicContact CG1-CG 3.58Å; V409-L472 HydrophobicContact CG2-CG 4.47Å; I431-L472 HydrophobicContact CB-CD2 4.31Å; I431-L472 HydrophobicContact CG2-CD1 4.24Å; I431-L472 HydrophobicContact CG2-CD2 4.06Å; I432-L472 HydrophobicContact CD1-CD2 4.3Å; I432-L472 HydrophobicContact CG1-CD1 3.82Å; I432-L472 HydrophobicContact CG1-CD2 3.92Å; I432-L472 HydrophobicContact CG1-CG 4.33Å; T468-L472 HydrophobicContact CG2-CD1 4.5Å; T468-L472 WeakPolarHBondContact O-CB 3.32Å; T468-L472 VanDerWaalsContact O-CG 3.3Å; T468-L472 WeakPolarHBondContact O-CG 3.48Å; T468-L472 PolarHBondContact O-N 3.07Å; K470-L472 PolarHBondContact O-N 3.27Å; L472-L475 WeakPolarHBondContact O-CB 3.45Å; L472-L475 PolarHBondContact O-N 3.39Å; L472-F476 WeakPolarHBondContact O-CD2 3.4Å; L472-F476 PolarHBondContact O-N 2.69Å
473	Y	98.9	Very high	98.4	Very high	22 Å²	22	18.4 Å²	18.4	9%	0.086	9%	0.09	C	C	.	.	H	α-helix	trans	-65.5	-47.6	-179	178.2	-88.1	0	0	0	110.8	L45 K49 M110 T469 K470 Y471 L475 F476 D477	L45-Y473 HydrophobicContact CD1-CD1 4.42Å; L45-Y473 HydrophobicContact CD1-CD2 3.56Å; L45-Y473 HydrophobicContact CD1-CE1 4.31Å; L45-Y473 HydrophobicContact CD1-CE2 3.43Å; L45-Y473 VanDerWaalsContact CD1-CE2 3.43Å; L45-Y473 HydrophobicContact CD1-CG 4.06Å; L45-Y473 HydrophobicContact CG-CE2 4.34Å; K49-Y473 HydrophobicContact CB-CD2 4.32Å; K49-Y473 HydrophobicContact CB-CE2 4.22Å; M110-Y473 HydrophobicContact CB-CE1 4.35Å; M110-Y473 HydrophobicContact CB-CE2 4.4Å; M110-Y473 HydrophobicContact CE-CD2 4.02Å; M110-Y473 HydrophobicContact CE-CG 3.96Å; M110-Y473 HydrophobicContact CG-CD1 3.98Å; M110-Y473 HydrophobicContact CG-CD2 4.01Å; M110-Y473 HydrophobicContact CG-CE1 4.07Å; M110-Y473 HydrophobicContact CG-CE2 4.08Å; M110-Y473 HydrophobicContact CG-CG 3.97Å; M110-Y473 HydrophobicContact SD-CD2 4.24Å; T469-Y473 VanDerWaalsContact O-CB 3.29Å; T469-Y473 WeakPolarHBondContact O-CB 3.45Å; T469-Y473 PolarHBondContact O-N 2.8Å; K470-Y473 WeakPolarHBondContact O-CB 3.39Å; K470-Y473 PolarHBondContact O-N 2.02Å; K470-Y473 VanDerWaalsContact O-N 3.13Å; Y471-Y473 VanDerWaalsContact C-N 3.31Å; Y471-Y473 PolarHBondContact O-N 3.25Å; Y473-L475 VanDerWaalsContact C-N 3.3Å; Y473-L475 PolarHBondContact O-N 2.85Å; Y473-F476 PolarHBondContact O-N 2.62Å; Y473-F476 VanDerWaalsContact O-N 3.17Å; Y473-D477 HydrophobicContact CD1-CB 4.39Å; Y473-D477 HydrophobicContact CE1-CB 4.02Å; Y473-D477 PolarHBondContact O-N 3.16Å
474	L	98.8	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-33	178.8	-66.2	176.8	0	0	0	112.5	L109 Y413 K470 Y471 F476 D477 N480 V482 N483 F491	L109-L474 HydrophobicContact CD1-CD1 4.22Å; Y413-L474 HydrophobicContact CD2-CB 3.99Å; Y413-L474 HydrophobicContact CE1-CD1 4.35Å; Y413-L474 HydrophobicContact CE2-CB 3.46Å; Y413-L474 VanDerWaalsContact CE2-CB 3.46Å; K470-L474 HydrophobicContact CG-CD1 4.01Å; K470-L474 HydrophobicContact CG-CG 4.47Å; K470-L474 VanDerWaalsContact O-CG 3.3Å; K470-L474 WeakPolarHBondContact O-CG 3.32Å; K470-L474 PolarHBondContact O-N 3.32Å; Y471-L474 PolarHBondContact O-N 3.29Å; L474-F476 VanDerWaalsContact C-N 3.25Å; L474-F476 PolarHBondContact O-N 2.71Å; L474-D477 PolarHBondContact O-N 2.93Å; L474-N480 HydrophobicContact CD2-CB 3.98Å; L474-N480 VanDerWaalsContact CD2-CG 3.46Å; L474-V482 HydrophobicContact CD1-CG2 4.04Å; L474-V482 HydrophobicContact CD2-CG2 3.56Å; L474-V482 HydrophobicContact CG-CG2 4.41Å; L474-N483 PolarHBondContact O-ND2 3.34Å; L474-F491 HydrophobicContact CD1-CE1 4.07Å; L474-F491 HydrophobicContact CD1-CZ 3.95Å
475	L	98.8	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-38.2	174.6	174.3	63.3	0	0	0	111.9	T412 Y413 F416 L425 Y471 L472 Y473	T412-L475 HydrophobicContact CG2-CD2 4Å; Y413-L475 HydrophobicContact CD2-CB 4.33Å; F416-L475 HydrophobicContact CB-CD1 3.4Å; F416-L475 VanDerWaalsContact CB-CD1 3.4Å; F416-L475 HydrophobicContact CD1-CD1 3.68Å; F416-L475 HydrophobicContact CD2-CD1 4.28Å; F416-L475 HydrophobicContact CG-CD1 3.51Å; L425-L475 HydrophobicContact CD2-CD1 3.91Å; L425-L475 HydrophobicContact CD2-CG 4.02Å; L425-L475 WeakPolarHBondContact CD2-O 3.3Å; Y471-L475 VanDerWaalsContact O-CB 3.26Å; Y471-L475 WeakPolarHBondContact O-CB 3.44Å; Y471-L475 PolarHBondContact O-N 2.83Å; L472-L475 WeakPolarHBondContact O-CB 3.45Å; L472-L475 PolarHBondContact O-N 3.39Å; Y473-L475 VanDerWaalsContact C-N 3.3Å; Y473-L475 PolarHBondContact O-N 2.85Å
476	F	98.8	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-95.5	-18	-178.1	-61.9	-68.5	0	0	0	114.2	F36 R41 M44 L45 L425 I432 L472 Y473 L474 L478	F36-F476 HydrophobicContact CE1-CE1 4.24Å; F36-F476 HydrophobicContact CZ-CE1 4.04Å; R41-F476 HydrophobicContact CG-CB 4.31Å; R41-F476 HydrophobicContact CG-CD1 3.89Å; R41-F476 PolarHBondContact NH1-O 3.2Å; M44-F476 HydrophobicContact CB-CD1 3.68Å; M44-F476 HydrophobicContact CB-CD2 3.72Å; M44-F476 HydrophobicContact CB-CE1 3.65Å; M44-F476 HydrophobicContact CB-CE2 3.74Å; M44-F476 HydrophobicContact CB-CG 3.74Å; M44-F476 HydrophobicContact CB-CZ 3.7Å; M44-F476 HydrophobicContact CG-CD1 4.46Å; M44-F476 HydrophobicContact CG-CE1 4.02Å; M44-F476 HydrophobicContact CG-CE2 4.5Å; M44-F476 HydrophobicContact CG-CZ 4.05Å; L45-F476 HydrophobicContact CB-CB 3.78Å; L45-F476 HydrophobicContact CD1-CB 4.29Å; L425-F476 HydrophobicContact CB-CE1 4.11Å; L425-F476 HydrophobicContact CD2-CD1 3.8Å; L425-F476 HydrophobicContact CD2-CE1 3.78Å; I432-F476 HydrophobicContact CD1-CD2 4.12Å; I432-F476 HydrophobicContact CD1-CE2 3.48Å; I432-F476 VanDerWaalsContact CD1-CE2 3.48Å; I432-F476 HydrophobicContact CD1-CZ 4.24Å; L472-F476 WeakPolarHBondContact O-CD2 3.4Å; L472-F476 PolarHBondContact O-N 2.69Å; Y473-F476 PolarHBondContact O-N 2.62Å; Y473-F476 VanDerWaalsContact O-N 3.17Å; L474-F476 VanDerWaalsContact C-N 3.25Å; L474-F476 PolarHBondContact O-N 2.71Å; F476-L478 PolarHBondContact O-N 3.19Å
477	D	98.5	Very high	97.6	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.144	17%	0.17	C	C	.	.			trans	-90.7	78.6	176.4	-173	11.8	0	0	0	113.2	L45 Y473 L474 K479 N480 N483	L45-D477 HydrophobicContact CD1-CB 3.75Å; L45-D477 HydrophobicContact CD2-CB 4.36Å; Y473-D477 HydrophobicContact CD1-CB 4.39Å; Y473-D477 HydrophobicContact CE1-CB 4.02Å; Y473-D477 PolarHBondContact O-N 3.16Å; L474-D477 PolarHBondContact O-N 2.93Å; D477-K479 PolarHBondContact O-N 3.48Å; D477-K479 PolarHBondContact OD1-N 2.87Å; D477-N480 HydrophobicContact CB-CB 4.14Å; D477-N480 WeakPolarHBondContact O-CB 3Å; D477-N480 PolarHBondContact O-N 2.64Å; D477-N480 PolarHBondContact OD1-N 2.85Å; D477-N480 WeakPolarHBondContact OD2-CA 3.28Å; D477-N480 VanDerWaalsContact OD2-CB 3.25Å; D477-N480 WeakPolarHBondContact OD2-CB 2.79Å; D477-N480 PolarHBondContact OD2-ND2 3.43Å; D477-N483 PolarHBondContact O-ND2 2.83Å
478	L	97.2	Very high	97.4	Very high	74 Å²	74	37.8 Å²	37.8	39%	0.387	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.5	-178.7	-51.3	-172.9	0	0	0	114.7	F416 F476	F416-L478 HydrophobicContact CE1-CD2 3.37Å; F416-L478 HydrophobicContact CZ-CD2 3.49Å; F416-L478 VanDerWaalsContact CZ-CD2 3.49Å; F476-L478 PolarHBondContact O-N 3.19Å
479	K	97.1	Very high	97.4	Very high	182 Å²	182	38.5 Å²	38.5	79%	0.791	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	0.2	-176.8	-63.7	-175.2	-178.7	-179.7	0	112.8	D477	D477-K479 PolarHBondContact O-N 3.48Å; D477-K479 PolarHBondContact OD1-N 2.87Å
480	N	98.1	Very high	97.3	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.027	19%	0.193	C	C	.	.			trans	-55.7	137.3	178.5	-156.2	-79.9	0	0	0	110.5	L109 L474 D477 V482 N483 V484	L109-N480 PolarHBondContact O-ND2 3.36Å; L474-N480 HydrophobicContact CD2-CB 3.98Å; L474-N480 VanDerWaalsContact CD2-CG 3.46Å; D477-N480 HydrophobicContact CB-CB 4.14Å; D477-N480 WeakPolarHBondContact O-CB 3Å; D477-N480 PolarHBondContact O-N 2.64Å; D477-N480 PolarHBondContact OD1-N 2.85Å; D477-N480 WeakPolarHBondContact OD2-CA 3.28Å; D477-N480 VanDerWaalsContact OD2-CB 3.25Å; D477-N480 WeakPolarHBondContact OD2-CB 2.79Å; D477-N480 PolarHBondContact OD2-ND2 3.43Å; N480-V482 HydrophobicContact CB-CG2 4.4Å; N480-V482 PolarHBondContact O-N 3Å; N480-V482 VanDerWaalsContact O-N 3.17Å; N480-V482 VanDerWaalsContact OD1-CG2 3.28Å; N480-V482 WeakPolarHBondContact OD1-CG2 3.02Å; N480-V482 PolarHBondContact OD1-N 2.98Å; N480-N483 HydrophobicContact CB-CB 4.25Å; N480-N483 WeakPolarHBondContact O-CA 3.47Å; N480-N483 WeakPolarHBondContact O-CB 2.98Å; N480-N483 PolarHBondContact O-N 3.5Å; N480-V484 WeakPolarHBondContact O-CG2 3.28Å; N480-V484 PolarHBondContact O-N 3.48Å
481	P	97.2	Very high	97.3	Very high	44 Å²	44	39.4 Å²	39.4	29%	0.286	19%	0.194	S	C	.	.	H	α-helix	trans	-53.1	-37.3	-180	-30.1	36.7	0	0	0	114.6	L161 L162 N483 V484 M485	L161-P481 WeakPolarHBondContact O-CB 3.45Å; L162-P481 HydrophobicContact CD2-CB 4.05Å; P481-N483 VanDerWaalsContact C-N 3.28Å; P481-N483 PolarHBondContact O-N 2.93Å; P481-V484 PolarHBondContact O-N 3.01Å; P481-M485 HydrophobicContact CB-CE 3.88Å; P481-M485 WeakPolarHBondContact O-CB 3.48Å; P481-M485 PolarHBondContact O-N 3.33Å
482	V	97.6	Very high	97.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-26.6	175.7	-65.8	0	0	0	0	113.2	L109 L162 L474 N480 Q486 F489 F491 P497	L109-V482 HydrophobicContact CD2-CG1 3.7Å; L109-V482 HydrophobicContact CD2-CG2 4.39Å; L162-V482 HydrophobicContact CD2-CG1 3.44Å; L162-V482 VanDerWaalsContact CD2-CG1 3.44Å; L474-V482 HydrophobicContact CD1-CG2 4.04Å; L474-V482 HydrophobicContact CD2-CG2 3.56Å; L474-V482 HydrophobicContact CG-CG2 4.41Å; N480-V482 HydrophobicContact CB-CG2 4.4Å; N480-V482 PolarHBondContact O-N 3Å; N480-V482 VanDerWaalsContact O-N 3.17Å; N480-V482 VanDerWaalsContact OD1-CG2 3.28Å; N480-V482 WeakPolarHBondContact OD1-CG2 3.02Å; N480-V482 PolarHBondContact OD1-N 2.98Å; V482-Q486 WeakPolarHBondContact O-CA 3.32Å; V482-Q486 PolarHBondContact O-N 3.07Å; V482-F489 HydrophobicContact CB-CD2 4.39Å; V482-F489 HydrophobicContact CG1-CD2 4.06Å; V482-F489 HydrophobicContact CG1-CE2 4.34Å; V482-F489 HydrophobicContact CG1-CG 4.23Å; V482-F491 HydrophobicContact CB-CE2 4.3Å; V482-F491 HydrophobicContact CB-CZ 4.14Å; V482-F491 HydrophobicContact CG1-CE2 4.43Å; V482-F491 HydrophobicContact CG1-CZ 4.11Å; V482-F491 HydrophobicContact CG2-CZ 4.08Å; V482-P497 HydrophobicContact CG1-CB 4.47Å
483	N	97.6	Very high	97.3	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.059	20%	0.201	C	C	.	.	H	α-helix	trans	-82.3	-35.4	177.8	-70.5	-14	0	0	0	111.7	Y413 L417 L474 D477 N480 P481	Y413-N483 VanDerWaalsContact CE2-OD1 3.29Å; Y413-N483 WeakPolarHBondContact CE2-OD1 3.45Å; Y413-N483 PolarHBondContact OH-OD1 2.66Å; L417-N483 HydrophobicContact CD2-CB 4.18Å; L474-N483 PolarHBondContact O-ND2 3.34Å; D477-N483 PolarHBondContact O-ND2 2.83Å; N480-N483 HydrophobicContact CB-CB 4.25Å; N480-N483 WeakPolarHBondContact O-CA 3.47Å; N480-N483 WeakPolarHBondContact O-CB 2.98Å; N480-N483 PolarHBondContact O-N 3.5Å; P481-N483 VanDerWaalsContact C-N 3.28Å; P481-N483 PolarHBondContact O-N 2.93Å
484	V	96.6	Very high	97.2	Very high	92 Å²	92	40 Å²	40	56%	0.558	20%	0.199	S	C	*	.	H	α-helix	trans	-76.4	-34.5	179.7	176.1	0	0	0	0	111.3	N480 P481	N480-V484 WeakPolarHBondContact O-CG2 3.28Å; N480-V484 PolarHBondContact O-N 3.48Å; P481-V484 PolarHBondContact O-N 3.01Å
485	M	95	Very high	97.2	Very high	43 Å²	43	40 Å²	40	21%	0.212	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	43.3	-179.9	-59.9	-180	-68.6	0	0	111	L161 P481 E487 H488 F489	L161-M485 HydrophobicContact CB-CE 4.23Å; L161-M485 HydrophobicContact CD2-SD 4.34Å; L161-M485 WeakPolarHBondContact O-CE 3.4Å; P481-M485 HydrophobicContact CB-CE 3.88Å; P481-M485 WeakPolarHBondContact O-CB 3.48Å; P481-M485 PolarHBondContact O-N 3.33Å; M485-E487 PolarHBondContact O-N 3.03Å; M485-E487 VanDerWaalsContact O-N 3.1Å; M485-H488 HydrophobicContact CB-CB 4.22Å; M485-H488 WeakPolarHBondContact O-CB 3.36Å; M485-H488 PolarHBondContact O-N 2.99Å; M485-F489 HydrophobicContact CB-CE2 4.15Å; M485-F489 HydrophobicContact CE-CE2 4.2Å; M485-F489 WeakPolarHBondContact O-CD2 3.41Å
486	Q	93	Very high	97.2	Very high	90 Å²	90	40 Å²	40	42%	0.421	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-54.1	-32.1	-174.9	61.8	-177.3	5.1	0	0	113.3	V482 H488 F489	V482-Q486 WeakPolarHBondContact O-CA 3.32Å; V482-Q486 PolarHBondContact O-N 3.07Å; Q486-H488 PolarHBondContact O-N 3.46Å; Q486-F489 PolarHBondContact O-N 3.26Å
487	E	92.7	Very high	97.2	Very high	120 Å²	120	40 Å²	40	56%	0.561	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-72.3	-7.3	177.3	68.5	-82.7	-166.2	0	0	114.1	M485 L500	M485-E487 PolarHBondContact O-N 3.03Å; M485-E487 VanDerWaalsContact O-N 3.1Å; E487-L500 WeakPolarHBondContact O-CD1 3.45Å
488	H	95.9	Very high	97.2	Very high	81 Å²	81	38.8 Å²	38.8	38%	0.375	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-100.2	-5.9	179.8	-65.1	176.3	0	0	0	113.6	M485 Q486 P499 L500	M485-H488 HydrophobicContact CB-CB 4.22Å; M485-H488 WeakPolarHBondContact O-CB 3.36Å; M485-H488 PolarHBondContact O-N 2.99Å; Q486-H488 PolarHBondContact O-N 3.46Å; H488-P499 CarbonylContact O-C 3.55Å; H488-P499 WeakPolarHBondContact O-CA 3.36Å; H488-L500 PolarHBondContact O-N 3.27Å
489	F	97.7	Very high	97.2	Very high	15 Å²	15	36 Å²	36	7%	0.066	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.4	-175.7	-59.7	-79.7	0	0	0	111.5	L161 L162 V482 M485 Q486 L498 P499	L161-F489 HydrophobicContact CB-CZ 3.81Å; L161-F489 HydrophobicContact CD1-CZ 4.3Å; L162-F489 HydrophobicContact CD1-CD1 4.5Å; L162-F489 HydrophobicContact CD1-CE1 3.82Å; L162-F489 HydrophobicContact CD1-CZ 4.26Å; L162-F489 HydrophobicContact CD2-CD1 4.47Å; L162-F489 HydrophobicContact CD2-CE1 3.71Å; L162-F489 HydrophobicContact CD2-CE2 3.81Å; L162-F489 HydrophobicContact CD2-CZ 3.32Å; L162-F489 HydrophobicContact CG-CE1 3.71Å; L162-F489 HydrophobicContact CG-CZ 3.64Å; V482-F489 HydrophobicContact CB-CD2 4.39Å; V482-F489 HydrophobicContact CG1-CD2 4.06Å; V482-F489 HydrophobicContact CG1-CE2 4.34Å; V482-F489 HydrophobicContact CG1-CG 4.23Å; M485-F489 HydrophobicContact CB-CE2 4.15Å; M485-F489 HydrophobicContact CE-CE2 4.2Å; M485-F489 WeakPolarHBondContact O-CD2 3.41Å; Q486-F489 PolarHBondContact O-N 3.26Å; F489-L498 WeakPolarHBondContact CA-O 3.43Å; F489-P499 HydrophobicContact CD1-CB 4.18Å; F489-P499 HydrophobicContact CE1-CB 4.06Å
490	I	98	Very high	97.2	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.7	164.6	-167.7	67.7	0	0	0	108.5	K292 L296 L362 P497 L498 L500	K292-I490 HydrophobicContact CB-CG1 4.18Å; K292-I490 HydrophobicContact CD-CD1 4.23Å; K292-I490 HydrophobicContact CD-CG1 4Å; K292-I490 HydrophobicContact CG-CD1 4Å; K292-I490 HydrophobicContact CG-CG1 3.97Å; L296-I490 HydrophobicContact CB-CG2 4.48Å; L296-I490 HydrophobicContact CD1-CG2 4.15Å; L296-I490 HydrophobicContact CD2-CG2 4.43Å; L362-I490 HydrophobicContact CD1-CD1 4.14Å; L362-I490 HydrophobicContact CD2-CD1 3.91Å; I490-P497 CarbonylContact O-C 3.59Å; I490-L498 HydrophobicContact CG2-CB 4.01Å; I490-L498 PolarHBondContact N-O 2.97Å; I490-L498 PolarHBondContact O-N 3.42Å; I490-L500 HydrophobicContact CB-CD2 4.22Å; I490-L500 HydrophobicContact CG2-CD2 3.97Å
491	F	98.6	Very high	97.1	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.035	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	140.9	175.5	-75.1	-109.3	0	0	0	109.2	L109 K292 F414 K470 Y471 L474 V482 G495 H496 P497	L109-F491 HydrophobicContact CD1-CE1 4.14Å; L109-F491 HydrophobicContact CD1-CZ 4.4Å; K292-F491 VanDerWaalsContact CD-O 3.23Å; K292-F491 WeakPolarHBondContact CD-O 3.23Å; K292-F491 VanDerWaalsContact CE-O 3.27Å; K292-F491 WeakPolarHBondContact CE-O 3.27Å; K292-F491 PolarHBondContact NZ-O 3.47Å; F414-F491 HydrophobicContact CZ-CB 4.38Å; F414-F491 HydrophobicContact CZ-CD2 4.18Å; F414-F491 HydrophobicContact CZ-CG 4.37Å; K470-F491 HydrophobicContact CD-CE1 4.32Å; Y471-F491 HydrophobicContact CE1-CD1 4.08Å; Y471-F491 HydrophobicContact CE1-CE1 4.4Å; L474-F491 HydrophobicContact CD1-CE1 4.07Å; L474-F491 HydrophobicContact CD1-CZ 3.95Å; V482-F491 HydrophobicContact CB-CE2 4.3Å; V482-F491 HydrophobicContact CB-CZ 4.14Å; V482-F491 HydrophobicContact CG1-CE2 4.43Å; V482-F491 HydrophobicContact CG1-CZ 4.11Å; V482-F491 HydrophobicContact CG2-CZ 4.08Å; F491-G495 VanDerWaalsContact CD1-O 3.23Å; F491-G495 WeakPolarHBondContact CD1-O 3.46Å; F491-H496 CarbonylContact C-O 3.56Å; F491-H496 WeakPolarHBondContact CA-O 2.97Å; F491-P497 HydrophobicContact CE1-CB 4.18Å; F491-P497 HydrophobicContact CE2-CB 4.41Å; F491-P497 HydrophobicContact CZ-CB 4.11Å
492	T	98.8	Very high	97	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.			trans	-66.8	177.6	165.8	62.7	0	0	0	0	110.8	L225 E226 Y289 K292 E494 G495 H496 L498	L225-T492 HydrophobicContact CD1-CG2 4.32Å; E226-T492 VanDerWaalsContact OE1-CG2 3.32Å; E226-T492 WeakPolarHBondContact OE1-CG2 3.37Å; Y289-T492 WeakPolarHBondContact OH-CB 3.23Å; K292-T492 PolarHBondContact NZ-O 2.95Å; T492-E494 PolarHBondContact O-N 3.42Å; T492-E494 PolarHBondContact OG1-N 3.21Å; T492-G495 PolarHBondContact O-N 2.92Å; T492-G495 VanDerWaalsContact O-N 3.14Å; T492-H496 HydrophobicContact CG2-CB 4.23Å; T492-H496 PolarHBondContact N-O 2.88Å; T492-H496 WeakPolarHBondContact OG1-CB 3.45Å; T492-H496 PolarHBondContact OG1-N 3.35Å; T492-L498 HydrophobicContact CG2-CD1 3.63Å; T492-L498 HydrophobicContact CG2-CG 4.1Å
493	T	98.1	Very high	96.9	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.141	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.9	174.6	-170.3	0	0	0	0	112.3	I142 T222 E288 Y289 E467 G495	I142-T493 HydrophobicContact CB-CG2 3.77Å; I142-T493 HydrophobicContact CD1-CG2 3.78Å; I142-T493 HydrophobicContact CG1-CG2 4.33Å; I142-T493 HydrophobicContact CG2-CG2 3.72Å; T222-T493 HydrophobicContact CG2-CG2 4.02Å; E288-T493 WeakPolarHBondContact OE1-CA 3.23Å; E288-T493 PolarHBondContact OE1-N 3.41Å; Y289-T493 HydrophobicContact CE2-CG2 3.98Å; Y289-T493 PolarHBondContact OH-N 2.91Å; Y289-T493 VanDerWaalsContact OH-N 3.09Å; E467-T493 VanDerWaalsContact OE2-O 3.07Å; T493-G495 VanDerWaalsContact C-N 3.31Å
494	E	98.2	Very high	96.9	Very high	10 Å²	10	38 Å²	38	5%	0.047	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	23.4	173.8	-64.6	-78	161.7	0	0	111.6	I142 R143 E467 T492 H496	I142-E494 HydrophobicContact CB-CG 3.72Å; I142-E494 HydrophobicContact CD1-CG 3.73Å; I142-E494 WeakPolarHBondContact CD1-OE1 3.35Å; I142-E494 HydrophobicContact CG1-CG 3.52Å; R143-E494 HydrophobicContact CG-CB 4.38Å; R143-E494 HydrophobicContact CG-CG 3.61Å; R143-E494 WeakPolarHBondContact CG-OE2 3.28Å; R143-E494 IonicContact CZ-OE1 3.24Å; R143-E494 IonicContact CZ-OE2 3.03Å; R143-E494 VanDerWaalsContact NE-CD 3.32Å; R143-E494 IonicContact NE-OE1 3.62Å; R143-E494 PolarHBondContact NE-OE1 2.88Å; R143-E494 IonicContact NE-OE2 3.13Å; R143-E494 PolarHBondContact NE-OE2 3.29Å; R143-E494 IonicContact NH2-OE1 2.71Å; R143-E494 PolarHBondContact NH2-OE1 3.38Å; R143-E494 IonicContact NH2-OE2 3.55Å; E467-E494 WeakPolarHBondContact CG-O 3.34Å; E467-E494 VanDerWaalsContact OE2-C 3.26Å; E467-E494 WeakPolarHBondContact OE2-CA 3.33Å; T492-E494 PolarHBondContact O-N 3.42Å; T492-E494 PolarHBondContact OG1-N 3.21Å; E494-H496 VanDerWaalsContact C-N 3.29Å; E494-H496 PolarHBondContact O-N 2.83Å; E494-H496 VanDerWaalsContact O-N 3.13Å
495	G	98.4	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.			trans	65	22	172.8	0	0	0	0	0	116	E467 K470 Y471 F491 T492 T493	E467-G495 PolarHBondContact OE2-N 3.08Å; K470-G495 WeakPolarHBondContact CD-O 3.41Å; K470-G495 PolarHBondContact NZ-O 3.14Å; Y471-G495 WeakPolarHBondContact OH-CA 3.17Å; F491-G495 VanDerWaalsContact CD1-O 3.23Å; F491-G495 WeakPolarHBondContact CD1-O 3.46Å; T492-G495 PolarHBondContact O-N 2.92Å; T492-G495 VanDerWaalsContact O-N 3.14Å; T493-G495 VanDerWaalsContact C-N 3.31Å
496	H	98.8	Very high	96.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.			trans	-83.3	122	173.1	-56.4	-51.7	0	0	0	110.6	D102 T105 I142 R143 A147 F491 T492 E494	D102-H496 PolarHBondContact O-CE1 2.82Å; D102-H496 IonicContact OD1-CE1 3.44Å; D102-H496 PolarHBondContact OD1-CE1 3.41Å; D102-H496 IonicContact OD1-NE2 3.48Å; D102-H496 PolarHBondContact OD1-NE2 3.14Å; T105-H496 PolarHBondContact OG1-ND1 3.35Å; I142-H496 PolarHBondContact O-CD2 3.11Å; R143-H496 PolarHBondContact O-NE2 3.01Å; A147-H496 PolarHBondContact N-CD2 3.19Å; A147-H496 PolarHBondContact N-NE2 3.36Å; F491-H496 CarbonylContact C-O 3.56Å; F491-H496 WeakPolarHBondContact CA-O 2.97Å; T492-H496 HydrophobicContact CG2-CB 4.23Å; T492-H496 PolarHBondContact N-O 2.88Å; T492-H496 WeakPolarHBondContact OG1-CB 3.45Å; T492-H496 PolarHBondContact OG1-N 3.35Å; E494-H496 VanDerWaalsContact C-N 3.29Å; E494-H496 PolarHBondContact O-N 2.83Å; E494-H496 VanDerWaalsContact O-N 3.13Å
497	P	98.4	Very high	96.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.7	-179.8	31.2	-36.4	0	0	0	111.1	L109 S150 M154 L162 V482 I490 F491	L109-P497 HydrophobicContact CD1-CG 4.1Å; L109-P497 HydrophobicContact CD2-CG 4.31Å; L109-P497 HydrophobicContact CG-CG 4.47Å; S150-P497 WeakPolarHBondContact CB-O 3.49Å; S150-P497 WeakPolarHBondContact OG-CD 3.43Å; S150-P497 PolarHBondContact OG-O 2.96Å; M154-P497 HydrophobicContact CE-CG 3.43Å; M154-P497 VanDerWaalsContact CE-CG 3.43Å; L162-P497 HydrophobicContact CD1-CG 4.33Å; V482-P497 HydrophobicContact CG1-CB 4.47Å; I490-P497 CarbonylContact O-C 3.59Å; F491-P497 HydrophobicContact CE1-CB 4.18Å; F491-P497 HydrophobicContact CE2-CB 4.41Å; F491-P497 HydrophobicContact CZ-CB 4.11Å
498	L	98.6	Very high	95.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.7	173.6	-63.4	172.3	0	0	0	108.8	L153 L225 V229 L296 F489 I490 T492	L153-L498 HydrophobicContact CD1-CD2 4.07Å; L225-L498 HydrophobicContact CB-CD1 4.28Å; V229-L498 HydrophobicContact CG2-CD1 4.05Å; V229-L498 HydrophobicContact CG2-CD2 4.41Å; L296-L498 HydrophobicContact CD2-CD1 4.03Å; F489-L498 WeakPolarHBondContact CA-O 3.43Å; I490-L498 HydrophobicContact CG2-CB 4.01Å; I490-L498 PolarHBondContact N-O 2.97Å; I490-L498 PolarHBondContact O-N 3.42Å; T492-L498 HydrophobicContact CG2-CD1 3.63Å; T492-L498 HydrophobicContact CG2-CG 4.1Å
499	P	97.8	Very high	95.2	Very high	14 Å²	14	35.4 Å²	35.4	9%	0.091	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	141.1	176.8	29	-34.9	0	0	0	111.6	L153 H488 F489 L501 F504	L153-P499 HydrophobicContact CB-CG 4.34Å; L153-P499 HydrophobicContact CD1-CG 4.23Å; H488-P499 CarbonylContact O-C 3.55Å; H488-P499 WeakPolarHBondContact O-CA 3.36Å; F489-P499 HydrophobicContact CD1-CB 4.18Å; F489-P499 HydrophobicContact CE1-CB 4.06Å; P499-L501 VanDerWaalsContact C-N 3.33Å; P499-L501 HydrophobicContact CB-CD1 4.39Å; P499-L501 HydrophobicContact CB-CD2 4.02Å; P499-L501 HydrophobicContact CB-CG 3.89Å; P499-L501 HydrophobicContact CG-CD1 3.82Å; P499-L501 HydrophobicContact CG-CD2 4.34Å; P499-L501 HydrophobicContact CG-CG 3.84Å; P499-L501 PolarHBondContact O-N 3.19Å; P499-F504 WeakPolarHBondContact O-CD2 3.41Å; P499-F504 WeakPolarHBondContact O-CE2 3.5Å
500	L	97.2	Very high	93.8	Very high	51 Å²	51	38.3 Å²	38.3	27%	0.267	21%	0.207	S	C	.	.			trans	-77.6	81.1	174	-59.3	-172.9	0	0	0	110.4	I295 L296 E487 H488 I490	I295-L500 HydrophobicContact CG2-CD1 4.14Å; I295-L500 HydrophobicContact CG2-CD2 4.23Å; L296-L500 HydrophobicContact CD1-CD2 3.68Å; E487-L500 WeakPolarHBondContact O-CD1 3.45Å; H488-L500 PolarHBondContact O-N 3.27Å; I490-L500 HydrophobicContact CB-CD2 4.22Å; I490-L500 HydrophobicContact CG2-CD2 3.97Å
501	L	96	Very high	92	Very high	47 Å²	47	42 Å²	42	25%	0.246	23%	0.234	C	C	.	.			trans	-94.1	146.4	-176.6	-60	178.8	0	0	0	112.7	L153 P499 I503 F504	L153-L501 HydrophobicContact CD2-CD1 4.31Å; P499-L501 VanDerWaalsContact C-N 3.33Å; P499-L501 HydrophobicContact CB-CD1 4.39Å; P499-L501 HydrophobicContact CB-CD2 4.02Å; P499-L501 HydrophobicContact CB-CG 3.89Å; P499-L501 HydrophobicContact CG-CD1 3.82Å; P499-L501 HydrophobicContact CG-CD2 4.34Å; P499-L501 HydrophobicContact CG-CG 3.84Å; P499-L501 PolarHBondContact O-N 3.19Å; L501-I503 HydrophobicContact CB-CG2 3.91Å; L501-I503 PolarHBondContact O-N 3.34Å; L501-I503 VanDerWaalsContact O-N 3.14Å; L501-F504 HydrophobicContact CB-CD2 3.91Å; L501-F504 HydrophobicContact CB-CE2 3.96Å; L501-F504 HydrophobicContact CD1-CE2 4.05Å; L501-F504 HydrophobicContact CD1-CZ 4.39Å; L501-F504 HydrophobicContact CG-CE2 4.13Å; L501-F504 PolarHBondContact O-N 3.3Å; L501-F504 VanDerWaalsContact O-N 3.09Å
502	P	95.3	Very high	90.2	Very high	111 Å²	111	47.3 Å²	47.3	72%	0.721	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-55.8	-31.1	176.3	-27.8	35.4	0	0	0	114.5	F504 R505 S506	P502-F504 PolarHBondContact O-N 3Å; P502-R505 PolarHBondContact O-N 3.23Å; P502-S506 PolarHBondContact O-N 2.99Å
503	I	95.2	Very high	88.9	Confident	78 Å²	78	49.2 Å²	49.2	40%	0.4	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-59.1	-34.8	178.6	-168.6	171.8	0	0	0	112.1	L501 R505 S506	L501-I503 HydrophobicContact CB-CG2 3.91Å; L501-I503 PolarHBondContact O-N 3.34Å; L501-I503 VanDerWaalsContact O-N 3.14Å; I503-R505 PolarHBondContact O-N 3.42Å; I503-S506 WeakPolarHBondContact O-CB 3.49Å; I503-S506 PolarHBondContact O-N 2.99Å; I503-S506 PolarHBondContact O-OG 2.89Å
504	F	96.9	Very high	87.3	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-72.2	-18.9	178.9	-56.9	-41.1	0	0	0	112.8	L153 V229 R232 L233 L296 F297 P499 L501 P502	L153-F504 HydrophobicContact CD1-CE2 4.38Å; L153-F504 HydrophobicContact CD1-CZ 3.95Å; L153-F504 HydrophobicContact CD2-CZ 4.2Å; V229-F504 HydrophobicContact CB-CE1 4.28Å; V229-F504 HydrophobicContact CG1-CE1 3.86Å; V229-F504 HydrophobicContact CG1-CZ 3.84Å; V229-F504 HydrophobicContact CG2-CD1 4.41Å; V229-F504 HydrophobicContact CG2-CE1 4.14Å; V229-F504 HydrophobicContact CG2-CE2 4.45Å; V229-F504 HydrophobicContact CG2-CZ 4.16Å; R232-F504 HydrophobicContact CB-CD1 3.75Å; R232-F504 HydrophobicContact CB-CE1 4.15Å; R232-F504 HydrophobicContact CG-CD1 4.06Å; R232-F504 PolarHBondContact NH1-O 3.05Å; L233-F504 HydrophobicContact CD2-CE1 4.11Å; L233-F504 HydrophobicContact CD2-CZ 4.35Å; L233-F504 HydrophobicContact CG-CE1 4.17Å; L296-F504 HydrophobicContact CD1-CB 4.4Å; L296-F504 HydrophobicContact CD1-CD2 3.79Å; L296-F504 HydrophobicContact CD1-CG 4.38Å; F297-F504 HydrophobicContact CD1-CB 4.02Å; F297-F504 WeakPolarHBondContact CD1-O 3.41Å; F297-F504 HydrophobicContact CE1-CB 4.19Å; P499-F504 WeakPolarHBondContact O-CD2 3.41Å; P499-F504 WeakPolarHBondContact O-CE2 3.5Å; L501-F504 HydrophobicContact CB-CD2 3.91Å; L501-F504 HydrophobicContact CB-CE2 3.96Å; L501-F504 HydrophobicContact CD1-CE2 4.05Å; L501-F504 HydrophobicContact CD1-CZ 4.39Å; L501-F504 HydrophobicContact CG-CE2 4.13Å; L501-F504 PolarHBondContact O-N 3.3Å; L501-F504 VanDerWaalsContact O-N 3.09Å; P502-F504 PolarHBondContact O-N 3Å
505	R	95.2	Very high	85.8	Confident	140 Å²	140	62.1 Å²	62.1	53%	0.528	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-100.4	6.8	176.4	-62.3	-173	171.4	-154.8	1.7	113.7	I295 L296 P502 I503	I295-R505 PolarHBondContact O-NH2 2.98Å; L296-R505 WeakPolarHBondContact O-CG 3.37Å; P502-R505 PolarHBondContact O-N 3.23Å; I503-R505 PolarHBondContact O-N 3.42Å
506	S	91	Very high	84.1	Confident	74 Å²	74	63.6 Å²	63.6	52%	0.517	34%	0.344	S	S	.	.	S	Bend	trans	-76.1	-32.7	-170.4	63.4	0	0	0	0	114.8	P502 I503	P502-S506 PolarHBondContact O-N 2.99Å; I503-S506 WeakPolarHBondContact O-CB 3.49Å; I503-S506 PolarHBondContact O-N 2.99Å; I503-S506 PolarHBondContact O-OG 2.89Å
507	W	89.4	Confident	82.2	Confident	56 Å²	56	66.5 Å²	66.5	21%	0.212	36%	0.363	C	S	.	.	S	Bend	trans	-92.2	140.6	177.3	-42.5	-17.8	0	0	0	112	S231 R232 P237 E240 R509	S231-W507 WeakPolarHBondContact O-CH2 3.15Å; R232-W507 VanDerWaalsContact CD-CD2 3.43Å; R232-W507 VanDerWaalsContact CZ-CB 3.47Å; R232-W507 VanDerWaalsContact CZ-CG 3.44Å; R232-W507 VanDerWaalsContact NE-CD2 3.33Å; R232-W507 VanDerWaalsContact NH1-CA 3.35Å; P237-W507 HydrophobicContact CB-CE3 4.4Å; P237-W507 HydrophobicContact CB-CH2 3.93Å; P237-W507 HydrophobicContact CB-CZ3 3.59Å; E240-W507 WeakPolarHBondContact OE2-CZ3 3.34Å; W507-R509 PolarHBondContact O-N 3.27Å
508	N	81.4	Confident	80.2	Confident	94 Å²	94	71.1 Å²	71.1	50%	0.503	40%	0.401	S	S	.	.			trans	-92.1	85.8	172.9	-173.7	1.9	0	0	0	111.1	S510 S511	N508-S510 PolarHBondContact O-N 3.49Å; N508-S510 PolarHBondContact OD1-N 3.4Å; N508-S510 PolarHBondContact OD1-OG 3.43Å; N508-S511 PolarHBondContact O-N 3.48Å; N508-S511 PolarHBondContact O-OG 2.53Å
509	R	80.1	Confident	78.3	Confident	8 Å²	8	76.2 Å²	76.2	3%	0.03	43%	0.432	C	S	.	.	H	α-helix	trans	-53.9	-35.5	176	-87.7	-164.5	-82.5	149.7	5.7	113.4	M224 E240 N299 D302 W507 S511 M512 E513	M224-R509 VanDerWaalsContact CE-NH1 3.29Å; E240-R509 WeakPolarHBondContact OE1-CD 3.24Å; E240-R509 WeakPolarHBondContact OE1-CG 3.47Å; E240-R509 IonicContact OE1-CZ 2.85Å; E240-R509 IonicContact OE1-NE 2.74Å; E240-R509 PolarHBondContact OE1-NE 2.88Å; N299-R509 VanDerWaalsContact CB-NH2 3.29Å; N299-R509 WeakPolarHBondContact ND2-CB 3.39Å; D302-R509 IonicContact OD1-NH1 3.44Å; D302-R509 IonicContact OD2-CZ 3.27Å; D302-R509 IonicContact OD2-NH1 2.89Å; D302-R509 PolarHBondContact OD2-NH1 3.29Å; D302-R509 VanDerWaalsContact OD2-NH1 3.12Å; D302-R509 IonicContact OD2-NH2 3.09Å; D302-R509 PolarHBondContact OD2-NH2 2.74Å; W507-R509 PolarHBondContact O-N 3.27Å; R509-S511 PolarHBondContact O-N 3.41Å; R509-S511 VanDerWaalsContact O-N 3.12Å; R509-M512 PolarHBondContact O-N 2.87Å; R509-E513 PolarHBondContact O-N 3.22Å; R509-E513 VanDerWaalsContact O-N 3.11Å
510	S	68.5	Low	76.7	Confident	75 Å²	75	76.9 Å²	76.9	52%	0.524	44%	0.437	S	S	.	.	H	α-helix	trans	-62.3	-22	-179.9	73.8	0	0	0	0	113.9	N508	N508-S510 PolarHBondContact O-N 3.49Å; N508-S510 PolarHBondContact OD1-N 3.4Å; N508-S510 PolarHBondContact OD1-OG 3.43Å
511	S	60.3	Low	74.5	Confident	90 Å²	90	79.4 Å²	79.4	63%	0.629	45%	0.447	S	S	*	.	H	α-helix	trans	-80.9	-19.2	173.2	70.2	0	0	0	0	113.7	N508 R509	N508-S511 PolarHBondContact O-N 3.48Å; N508-S511 PolarHBondContact O-OG 2.53Å; R509-S511 PolarHBondContact O-N 3.41Å; R509-S511 VanDerWaalsContact O-N 3.12Å
512	M	60.3	Low	72.2	Confident	120 Å²	120	82.5 Å²	82.5	59%	0.591	46%	0.464	S	S	*	.	H	α-helix	trans	-99.7	-16.9	-175.6	-58.6	177.7	75	0	0	112.6	P237 R509	P237-M512 HydrophobicContact CB-CE 4.32Å; R509-M512 PolarHBondContact O-N 2.87Å
513	E	71.1	Confident	69.9	Low	40 Å²	40	81.2 Å²	81.2	19%	0.187	45%	0.448	C	S	.	.	S	Bend	trans	-120.1	148	-171.2	-66.7	174.1	164.3	0	0	111.8	S244 R248 R509	S244-E513 WeakPolarHBondContact CB-OE1 3.37Å; S244-E513 PolarHBondContact OG-OE1 2.96Å; S244-E513 PolarHBondContact OG-OE2 2.99Å; R248-E513 IonicContact CZ-OE2 3.25Å; R248-E513 IonicContact NE-OE2 3.73Å; R248-E513 PolarHBondContact NE-OE2 3.33Å; R248-E513 IonicContact NH2-OE2 3.05Å; R248-E513 PolarHBondContact NH2-OE2 3.21Å; R509-E513 PolarHBondContact O-N 3.22Å; R509-E513 VanDerWaalsContact O-N 3.11Å
514	K	66.1	Low	67.3	Low	185 Å²	185	81 Å²	81	80%	0.804	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-65.5	150.6	173.2	-69.6	-179.9	-179.7	175.2	0	110.3	R248	R248-K514 PolarHBondContact NH1-O 2.98Å; R248-K514 VanDerWaalsContact NH1-O 3.12Å
515	P	66	Low	64.5	Low	118 Å²	118	89.2 Å²	89.2	77%	0.766	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-52	143.2	173.4	-25.2	33.3	0	0	0	111.6	P517	P515-P517 WeakPolarHBondContact O-CD 3.45Å
516	V	62.5	Low	61.6	Low	32 Å²	32	87.7 Å²	87.7	19%	0.194	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-60.7	123.7	172.6	-176	0	0	0	0	107.7	R248 Y251 A301 M305 A518	R248-V516 VanDerWaalsContact NH1-CG2 3.25Å; Y251-V516 HydrophobicContact CD1-CG1 3.36Å; Y251-V516 HydrophobicContact CE1-CG1 3.24Å; Y251-V516 HydrophobicContact CG-CG1 4.34Å; A301-V516 HydrophobicContact CB-CG2 3.86Å; M305-V516 HydrophobicContact CG-CG1 4.21Å; M305-V516 HydrophobicContact CG-CG2 4.44Å; M305-V516 HydrophobicContact SD-CG1 4.41Å; M305-V516 HydrophobicContact SD-CG2 4.46Å; V516-A518 PolarHBondContact O-N 3.24Å
517	P	59.4	Low	58.9	Low	60 Å²	60	91.5 Å²	91.5	39%	0.39	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-61	124.4	175.9	-21.1	32.3	0	0	0	110	P515 V519	P515-P517 WeakPolarHBondContact O-CD 3.45Å; P517-V519 PolarHBondContact O-N 2.95Å
518	A	57	Low	56	Low	98 Å²	98	93.5 Å²	93.5	81%	0.81	55%	0.547	S	S	*	.	S	Bend	trans	-68	-20.5	175.9	0	0	0	0	0	112.7	V516	V516-A518 PolarHBondContact O-N 3.24Å
519	V	57.6	Low	53.6	Low	110 Å²	110	98 Å²	98	67%	0.667	57%	0.566	S	S	*	*	S	Bend	trans	-109.7	120	-171.9	-172.2	0	0	0	0	108.6	P517	P517-V519 PolarHBondContact O-N 2.95Å
520	C	63.8	Low	51.4	Low	28 Å²	28	103.4 Å²	103.4	19%	0.189	60%	0.599	C	S	.	*			trans	-50.7	142.1	162.2	58.6	0	0	0	0	109.6	C256 N522	C256-C520 WeakPolarHBondContact CA-SG 3.45Å; C256-C520 HydrophobicContact CB-CB 3.99Å; C256-C520 WeakPolarHBondContact CB-SG 3.01Å; C256-C520 VanDerWaalsContact SG-C 3.52Å; C256-C520 WeakPolarHBondContact SG-CB 3.44Å; C256-C520 PolarHBondContact SG-O 3.44Å; C256-C520 VanDerWaalsContact SG-O 3.35Å; C256-C520 CovalentContact SG-SG 2.02Å; C256-C520 PolarHBondContact SG-SG 3.07Å; C520-N522 PolarHBondContact O-N 3.32Å
521	Q	52.2	Low	49.6	Very low	103 Å²	103	107.6 Å²	107.6	48%	0.481	62%	0.615	S	S	.	*			trans	-80.8	117.5	171.2	-74	-169.4	-35	0	0	108.7	K252 Q523	K252-Q521 VanDerWaalsContact CE-NE2 3.33Å; Q521-Q523 HydrophobicContact CB-CG 4.3Å; Q521-Q523 PolarHBondContact O-N 3.47Å
522	N	46.6	Very low	48.4	Very low	113 Å²	113	109.4 Å²	109.4	60%	0.604	62%	0.622	S	S	*	*			trans	-58.7	101.2	164.7	-87.8	-21.7	0	0	0	107.8	C256 C520 A524	C256-N522 VanDerWaalsContact CB-OD1 3.28Å; C256-N522 WeakPolarHBondContact CB-OD1 3.25Å; C256-N522 PolarHBondContact SG-OD1 3.31Å; C520-N522 PolarHBondContact O-N 3.32Å; N522-A524 VanDerWaalsContact C-N 3.32Å
523	Q	48.2	Very low	47	Very low	83 Å²	83	113.2 Å²	113.2	39%	0.388	64%	0.636	S	S	.	*			trans	-91	9.4	-177.2	-76.4	178.9	-13.2	0	0	113.8	G270 H271 Q521	G270-Q523 PolarHBondContact O-OE1 2.91Å; H271-Q523 PolarHBondContact CD2-OE1 3.42Å; Q521-Q523 HydrophobicContact CB-CG 4.3Å; Q521-Q523 PolarHBondContact O-N 3.47Å
524	A	39.6	Very low	45.3	Very low	74 Å²	74	118 Å²	118	61%	0.612	67%	0.667	S	S	*	*			trans	-113.4	99.6	164.9	0	0	0	0	0	109.9	N522 S526	N522-A524 VanDerWaalsContact C-N 3.32Å; A524-S526 PolarHBondContact O-N 3.32Å
525	L	37.8	Very low	43.6	Very low	173 Å²	173	115.4 Å²	115.4	91%	0.906	66%	0.662	S	S	*	*	S	Bend	trans	-55	123.5	153.9	-84	153.1	0	0	0	107.4
526	S	34.3	Very low	42.3	Very low	107 Å²	107	114.4 Å²	114.4	75%	0.748	66%	0.658	S	S	*	*	S	Bend	trans	71.2	86.4	-178	84.2	0	0	0	0	117	A524	A524-S526 PolarHBondContact O-N 3.32Å
527	L	34	Very low	40.9	Very low	155 Å²	155	117.2 Å²	117.2	81%	0.812	68%	0.679	S	S	*	*	S	Bend		-178.1	0.7	117.5	-126.9	88.7	0	0	0	114.6
528	C	29.9	Very low	39.6	Very low	97 Å²	97	125.6 Å²	125.6	66%	0.655	70%	0.703	S	S	*	*			trans	-108.5	70.2	-178	-79.4	0	0	0	0	113.4
529	E	30.5	Very low	38.7	Very low	190 Å²	190	127.1 Å²	127.1	89%	0.888	70%	0.697	S	S	*	*	S	Bend	trans	-107	12.1	160.3	-91.2	-169.4	169.1	0	0	113.4
530	T	33.9	Very low	37.5	Very low	121 Å²	121	126.3 Å²	126.3	74%	0.742	69%	0.694	S	S	*	*	S	Bend	trans	-127.4	17.5	-172.3	-3.5	0	0	0	0	117.7
531	L	31.4	Very low	36	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	72%	0.722	S	S	*	*			trans	-125.4	46.4	172.3	-67.7	172.6	0	0	0	113	K533	L531-K533 PolarHBondContact O-N 2.71Å
532	T	33.9	Very low	35.3	Very low	128 Å²	128	132.6 Å²	132.6	79%	0.785	74%	0.737	S	S	*	*			trans	-75.4	103.3	156.1	50.2	0	0	0	0	109.2
533	K	31.8	Very low	34.8	Very low	201 Å²	201	132.2 Å²	132.2	87%	0.874	74%	0.739	S	S	*	*			trans	150.7	67.6	149.9	-83.3	172.2	-176.1	-179.3	0	109.8	L531 N535	L531-K533 PolarHBondContact O-N 2.71Å; K533-N535 PolarHBondContact O-N 2.97Å
534	V	35.2	Very low	34.5	Very low	140 Å²	140	136.5 Å²	136.5	85%	0.848	76%	0.756	S	S	*	*			trans	-73.7	110.5	154.4	178.8	0	0	0	0	106.3	S536	V534-S536 PolarHBondContact O-N 2.94Å
535	N	30.8	Very low	34.5	Very low	131 Å²	131	137.6 Å²	137.6	70%	0.701	75%	0.752	S	S	*	*			trans	-60.4	106.6	172.7	-106.9	-15.7	0	0	0	108.7	K533 S537	K533-N535 PolarHBondContact O-N 2.97Å; N535-S537 PolarHBondContact O-N 2.96Å
536	S	37.4	Very low	34.8	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	75%	0.747	S	S	*	*			trans	-68.3	10.2	170.1	56.5	0	0	0	0	113.5	V534 R538	V534-S536 PolarHBondContact O-N 2.94Å; S536-R538 VanDerWaalsContact C-N 3.27Å; S536-R538 PolarHBondContact O-N 3.15Å
537	S	33	Very low	35	Very low	91 Å²	91	135.1 Å²	135.1	64%	0.636	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	13.3	-175.8	69.1	0	0	0	0	114.8	N535	N535-S537 PolarHBondContact O-N 2.96Å
538	R	32.4	Very low	35.3	Very low	236 Å²	236	130.6 Å²	130.6	89%	0.891	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	55.2	168.6	-70.4	-170.5	-177.4	-176	2	110.8	S536	S536-R538 VanDerWaalsContact C-N 3.27Å; S536-R538 PolarHBondContact O-N 3.15Å
539	L	38.5	Very low	35.6	Very low	130 Å²	130	131.4 Å²	131.4	68%	0.681	73%	0.732	S	S	*	*			trans	-114.2	124	165.6	-71.3	164.4	0	0	0	107.3	Q541	L539-Q541 PolarHBondContact O-N 2.96Å
540	P	33.3	Very low	36.3	Very low	94 Å²	94	127.2 Å²	127.2	61%	0.61	72%	0.721	S	S	*	*			trans	-55.9	124	158.8	-14.5	27.9	0	0	0	106.9	A542	P540-A542 PolarHBondContact O-N 3.06Å
541	Q	30.8	Very low	36.8	Very low	166 Å²	166	130.6 Å²	130.6	78%	0.776	73%	0.729	S	S	*	*			trans	-52.4	115	170	-85.2	175.6	-31.8	0	0	108.3	L539 T543	L539-Q541 PolarHBondContact O-N 2.96Å; Q541-T543 HydrophobicContact CB-CG2 3.79Å; Q541-T543 HydrophobicContact CG-CG2 4.48Å; Q541-T543 PolarHBondContact O-N 3.25Å
542	A	38.1	Very low	37.5	Very low	97 Å²	97	129.3 Å²	129.3	80%	0.802	71%	0.713	S	S	*	*			trans	-68.7	70.9	163.3	0	0	0	0	0	108.2	P540 K544	P540-A542 PolarHBondContact O-N 3.06Å; A542-K544 VanDerWaalsContact C-N 3.27Å; A542-K544 PolarHBondContact O-N 3.25Å
543	T	36.2	Very low	38.2	Very low	105 Å²	105	127.2 Å²	127.2	64%	0.644	70%	0.701	S	S	*	*			trans	-90.8	64.8	172.2	51.4	0	0	0	0	109	Q541	Q541-T543 HydrophobicContact CB-CG2 3.79Å; Q541-T543 HydrophobicContact CG-CG2 4.48Å; Q541-T543 PolarHBondContact O-N 3.25Å
544	K	41.9	Very low	39	Very low	172 Å²	172	123.4 Å²	123.4	75%	0.748	69%	0.69	S	S	*	*	S	Bend	trans	-145.9	137.2	155.3	-74.1	-165.2	178.7	176.2	0	107.8	A542 P546	A542-K544 VanDerWaalsContact C-N 3.27Å; A542-K544 PolarHBondContact O-N 3.25Å; K544-P546 WeakPolarHBondContact O-CD 3.46Å; K544-P546 VanDerWaalsContact O-N 3.16Å
545	D	39.7	Very low	39.6	Very low	98 Å²	98	125.3 Å²	125.3	52%	0.524	69%	0.689	S	S	.	*			trans	-47.1	118	168.8	-178.5	-9.4	0	0	0	109	T547 A548	D545-T547 PolarHBondContact O-N 3.31Å; D545-T547 WeakPolarHBondContact OD1-CB 3.49Å; D545-T547 PolarHBondContact OD1-N 3.01Å; D545-T547 PolarHBondContact OD1-OG1 2.93Å; D545-T547 PolarHBondContact OD2-OG1 3.36Å; D545-T547 VanDerWaalsContact OD2-OG1 3.05Å; D545-A548 HydrophobicContact CB-CB 4.22Å; D545-A548 PolarHBondContact O-N 3.43Å
546	P	43.2	Very low	40.6	Very low	123 Å²	123	120.2 Å²	120.2	80%	0.799	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-9	179.9	24.6	-32.3	0	0	0	112.8	K544	K544-P546 WeakPolarHBondContact O-CD 3.46Å; K544-P546 VanDerWaalsContact O-N 3.16Å
547	T	40	Very low	41.3	Very low	104 Å²	104	120.8 Å²	120.8	64%	0.638	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-9.4	175.7	71.4	0	0	0	0	114.2	D545 C549	D545-T547 PolarHBondContact O-N 3.31Å; D545-T547 WeakPolarHBondContact OD1-CB 3.49Å; D545-T547 PolarHBondContact OD1-N 3.01Å; D545-T547 PolarHBondContact OD1-OG1 2.93Å; D545-T547 PolarHBondContact OD2-OG1 3.36Å; D545-T547 VanDerWaalsContact OD2-OG1 3.05Å; T547-C549 PolarHBondContact O-N 2.47Å
548	A	39.4	Very low	42.4	Very low	60 Å²	60	121.8 Å²	121.8	50%	0.496	65%	0.649	S	S	.	*			trans	-91.4	96.5	-178.8	0	0	0	0	0	111.5	D545 P550	D545-A548 HydrophobicContact CB-CB 4.22Å; D545-A548 PolarHBondContact O-N 3.43Å; A548-P550 WeakPolarHBondContact O-CD 3.39Å
549	C	36.7	Very low	44.1	Very low	115 Å²	115	114.4 Å²	114.4	78%	0.777	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-62.6	124.4	169.6	-66.8	0	0	0	0	110	T547 E551	T547-C549 PolarHBondContact O-N 2.47Å; C549-E551 PolarHBondContact O-N 3.22Å
550	P	45.7	Very low	45.9	Very low	101 Å²	101	108.7 Å²	108.7	66%	0.656	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-63.4	127.8	171.3	-12	24.3	0	0	0	110.1	A548 W552	A548-P550 WeakPolarHBondContact O-CD 3.39Å; P550-W552 PolarHBondContact O-N 2.81Å
551	E	43.4	Very low	48.4	Very low	193 Å²	193	105.1 Å²	105.1	90%	0.902	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-70.4	123	167.7	-76	-173.1	166.2	0	0	109.8	C549	C549-E551 PolarHBondContact O-N 3.22Å
552	W	46.9	Very low	51	Low	135 Å²	135	97.4 Å²	97.4	51%	0.511	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-77.2	131.6	172.9	-167.1	-91.9	0	0	0	110.3	L366 P550 L554	L366-W552 HydrophobicContact CD2-CD2 4.42Å; L366-W552 HydrophobicContact CD2-CE3 4.04Å; L366-W552 HydrophobicContact CD2-CZ3 4.37Å; P550-W552 PolarHBondContact O-N 2.81Å; W552-L554 PolarHBondContact O-N 3.29Å
553	P	47.8	Very low	53.4	Low	84 Å²	84	99.8 Å²	99.8	55%	0.545	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-59.1	126.8	179.4	-21.6	30.9	0	0	0	112.1	H555 G556	P553-H555 PolarHBondContact O-N 2.83Å; P553-G556 PolarHBondContact O-N 2.85Å; P553-G556 VanDerWaalsContact O-N 3.15Å
554	L	48.2	Very low	55.9	Low	120 Å²	120	95.5 Å²	95.5	63%	0.628	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-52.8	-25.9	175.5	-74.2	165.2	0	0	0	113.6	W552 G556	W552-L554 PolarHBondContact O-N 3.29Å; L554-G556 VanDerWaalsContact C-N 3.28Å; L554-G556 PolarHBondContact O-N 3.24Å
555	H	48.3	Very low	58.2	Low	180 Å²	180	91.9 Å²	91.9	83%	0.833	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-71.3	-15.4	-177.4	-66.3	-62.7	0	0	0	114.6	P553	P553-H555 PolarHBondContact O-N 2.83Å
556	G	51	Low	60.7	Low	24 Å²	24	88.8 Å²	88.8	25%	0.247	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-87.6	0.4	-178.2	0	0	0	0	0	115.7	P553 L554 H558 V559	P553-G556 PolarHBondContact O-N 2.85Å; P553-G556 VanDerWaalsContact O-N 3.15Å; L554-G556 VanDerWaalsContact C-N 3.28Å; L554-G556 PolarHBondContact O-N 3.24Å; G556-H558 PolarHBondContact O-N 3.43Å; G556-H558 VanDerWaalsContact O-N 3.1Å; G556-V559 PolarHBondContact O-N 3.48Å
557	R	53.6	Low	63	Low	109 Å²	109	83.2 Å²	83.2	41%	0.411	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	-169.8	-76.7	-178.1	178.1	-178.3	-0.1	115.3	P422	P422-R557 WeakPolarHBondContact CD-O 3.35Å
558	H	55.3	Low	65.5	Low	111 Å²	111	82.9 Å²	82.9	51%	0.514	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-19.3	-176.3	-64.6	-64.7	0	0	0	113.6	G34 G556	G34-H558 WeakPolarHBondContact CA-O 3.33Å; G34-H558 PolarHBondContact O-ND1 3.26Å; G556-H558 PolarHBondContact O-N 3.43Å; G556-H558 VanDerWaalsContact O-N 3.1Å
559	V	68.4	Low	68.1	Low	82 Å²	82	81.9 Å²	81.9	50%	0.497	43%	0.426	S	S	.	.	S	Bend	trans	-74.8	139.9	-179.8	-175.7	0	0	0	0	109.4	E30 N421 G556	E30-V559 WeakPolarHBondContact OE1-CA 3.45Å; E30-V559 WeakPolarHBondContact OE2-CA 3.45Å; N421-V559 PolarHBondContact ND2-O 3.44Å; G556-V559 PolarHBondContact O-N 3.48Å
560	L	76.4	Confident	70.8	Confident	10 Å²	10	76.6 Å²	76.6	5%	0.052	39%	0.39	C	S	.	.			trans	-46.9	135.9	172.1	-72.3	160.3	0	0	0	112.5	W29 E30 F33 F423 L562 S564	W29-L560 HydrophobicContact CB-CD1 3.31Å; W29-L560 HydrophobicContact CB-CD2 4.39Å; W29-L560 HydrophobicContact CB-CG 4.42Å; W29-L560 HydrophobicContact CG-CD1 4.4Å; E30-L560 HydrophobicContact CB-CD1 4.36Å; E30-L560 WeakPolarHBondContact OE2-CG 3.4Å; E30-L560 PolarHBondContact OE2-N 2.94Å; F33-L560 HydrophobicContact CB-CD2 3.7Å; F33-L560 HydrophobicContact CD2-CD2 4.26Å; F33-L560 HydrophobicContact CG-CD2 4.3Å; F423-L560 HydrophobicContact CD2-CD2 4.32Å; L560-L562 VanDerWaalsContact CB-O 3.25Å; L560-L562 WeakPolarHBondContact CB-O 3.33Å; L560-L562 PolarHBondContact O-N 2.84Å; L560-S564 WeakPolarHBondContact CD1-OG 3.18Å
561	P	84.5	Confident	73.1	Confident	19 Å²	19	71.8 Å²	71.8	12%	0.123	36%	0.359	C	S	.	.	S	Bend	trans	-57.1	-39.2	178.1	-24.8	33.8	0	0	0	112.6	N325 I370 N421 F423 Y424	N325-P561 PolarHBondContact ND2-O 3.36Å; I370-P561 HydrophobicContact CB-CB 4.44Å; I370-P561 HydrophobicContact CD1-CB 4.02Å; I370-P561 HydrophobicContact CG1-CB 4.02Å; I370-P561 HydrophobicContact CG2-CB 3.56Å; N421-P561 HydrophobicContact CB-CG 4.15Å; N421-P561 WeakPolarHBondContact ND2-CD 3.17Å; F423-P561 HydrophobicContact CB-CG 4.15Å; F423-P561 HydrophobicContact CD1-CG 4.15Å; F423-P561 HydrophobicContact CG-CG 4.35Å; Y424-P561 HydrophobicContact CE2-CG 3.85Å; Y424-P561 WeakPolarHBondContact OH-CB 3.3Å
562	L	87	Confident	75.6	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	34%	0.336	C	S	.	.	S	Bend	trans	-111.7	135.8	174.4	-171.9	70	0	0	0	109.3	N325 I370 A374 L560 S564 Y566 M567	N325-L562 HydrophobicContact CB-CD1 4.32Å; I370-L562 HydrophobicContact CG2-CB 4.18Å; A374-L562 HydrophobicContact CB-CD2 4.16Å; L560-L562 VanDerWaalsContact CB-O 3.25Å; L560-L562 WeakPolarHBondContact CB-O 3.33Å; L560-L562 PolarHBondContact O-N 2.84Å; L562-S564 PolarHBondContact O-N 3.48Å; L562-Y566 HydrophobicContact CD1-CD2 4.22Å; L562-M567 HydrophobicContact CB-CG 4.07Å; L562-M567 HydrophobicContact CB-SD 4.06Å; L562-M567 HydrophobicContact CD2-CG 4Å; L562-M567 HydrophobicContact CD2-SD 3.69Å; L562-M567 HydrophobicContact CG-CG 4.29Å; L562-M567 HydrophobicContact CG-SD 4.39Å
563	R	88.1	Confident	77.8	Confident	148 Å²	148	62.6 Å²	62.6	56%	0.558	33%	0.329	S	S	*	.			trans	-56.9	140.4	176	-72.4	170.8	-176.5	-163.7	1.9	110.2	N325 V565 Y566 M567	N325-R563 WeakPolarHBondContact OD1-CB 3.05Å; N325-R563 WeakPolarHBondContact OD1-CG 3.45Å; N325-R563 PolarHBondContact OD1-N 3.2Å; R563-V565 HydrophobicContact CB-CG1 4.22Å; R563-V565 PolarHBondContact O-N 3.4Å; R563-V565 VanDerWaalsContact O-N 3.11Å; R563-Y566 HydrophobicContact CB-CD2 3.82Å; R563-Y566 HydrophobicContact CB-CE2 4.21Å; R563-Y566 WeakPolarHBondContact O-CA 3.27Å; R563-Y566 WeakPolarHBondContact O-CB 3.48Å; R563-Y566 PolarHBondContact O-N 3.47Å; R563-M567 PolarHBondContact O-N 3.4Å; R563-M567 VanDerWaalsContact O-N 3.14Å
564	S	89.6	Confident	80.1	Confident	14 Å²	14	59 Å²	59	10%	0.098	31%	0.306	C	S	.	.	H	α-helix	trans	-57	-31.7	-176.3	-55.1	0	0	0	0	114.7	D27 L560 L562 Y566 M567 K568	D27-S564 WeakPolarHBondContact OD1-CB 3.49Å; D27-S564 PolarHBondContact OD1-OG 3.32Å; D27-S564 WeakPolarHBondContact OD2-CB 3.36Å; D27-S564 PolarHBondContact OD2-OG 2.81Å; L560-S564 WeakPolarHBondContact CD1-OG 3.18Å; L562-S564 PolarHBondContact O-N 3.48Å; S564-Y566 PolarHBondContact O-N 2.87Å; S564-M567 PolarHBondContact O-N 2.76Å; S564-K568 WeakPolarHBondContact O-CB 3.17Å; S564-K568 PolarHBondContact O-N 2.73Å
565	V	89.5	Confident	82.3	Confident	97 Å²	97	59.5 Å²	59.5	59%	0.588	31%	0.305	S	S	*	.	H	α-helix	trans	-61	-34.9	173.6	66.7	0	0	0	0	112.3	R563 G569	R563-V565 HydrophobicContact CB-CG1 4.22Å; R563-V565 PolarHBondContact O-N 3.4Å; R563-V565 VanDerWaalsContact O-N 3.11Å; V565-G569 PolarHBondContact O-N 3.14Å
566	Y	92.1	Very high	84.5	Confident	33 Å²	33	51.5 Å²	51.5	13%	0.129	27%	0.269	C	S	.	.	H	α-helix	trans	-83.4	-36.8	178.6	-58.6	-54.3	0	0	0	112	N325 S326 G327 L562 R563 S564 K568 G569 L570	N325-Y566 WeakPolarHBondContact O-CE2 3.27Å; S326-Y566 VanDerWaalsContact C-OH 3.24Å; S326-Y566 VanDerWaalsContact CA-OH 3.27Å; S326-Y566 WeakPolarHBondContact CA-OH 3.41Å; G327-Y566 PolarHBondContact N-OH 3Å; G327-Y566 PolarHBondContact O-OH 3.12Å; L562-Y566 HydrophobicContact CD1-CD2 4.22Å; R563-Y566 HydrophobicContact CB-CD2 3.82Å; R563-Y566 HydrophobicContact CB-CE2 4.21Å; R563-Y566 WeakPolarHBondContact O-CA 3.27Å; R563-Y566 WeakPolarHBondContact O-CB 3.48Å; R563-Y566 PolarHBondContact O-N 3.47Å; S564-Y566 PolarHBondContact O-N 2.87Å; Y566-K568 VanDerWaalsContact C-N 3.31Å; Y566-G569 PolarHBondContact O-N 3.09Å; Y566-L570 WeakPolarHBondContact O-CB 3.36Å; Y566-L570 PolarHBondContact O-N 3.09Å
567	M	92.2	Very high	86.6	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-58.2	-46.8	168.9	-72.7	-62.7	-65.6	0	0	110.6	W29 A374 Y377 F423 L562 R563 S564 L570 H571	W29-M567 HydrophobicContact CD2-CB 4.19Å; W29-M567 HydrophobicContact CE3-CB 4.23Å; W29-M567 HydrophobicContact CE3-CE 4.34Å; W29-M567 HydrophobicContact CH2-CB 4.35Å; W29-M567 HydrophobicContact CH2-CE 4.4Å; W29-M567 HydrophobicContact CZ2-CB 4.26Å; W29-M567 HydrophobicContact CZ3-CB 4.32Å; W29-M567 HydrophobicContact CZ3-CE 3.84Å; A374-M567 HydrophobicContact CB-SD 4.03Å; Y377-M567 HydrophobicContact CD1-CE 3.84Å; Y377-M567 HydrophobicContact CE1-CE 3.97Å; F423-M567 HydrophobicContact CE2-CE 4.15Å; F423-M567 HydrophobicContact CZ-CE 4.17Å; L562-M567 HydrophobicContact CB-CG 4.07Å; L562-M567 HydrophobicContact CB-SD 4.06Å; L562-M567 HydrophobicContact CD2-CG 4Å; L562-M567 HydrophobicContact CD2-SD 3.69Å; L562-M567 HydrophobicContact CG-CG 4.29Å; L562-M567 HydrophobicContact CG-SD 4.39Å; R563-M567 PolarHBondContact O-N 3.4Å; R563-M567 VanDerWaalsContact O-N 3.14Å; S564-M567 PolarHBondContact O-N 2.76Å; M567-L570 WeakPolarHBondContact O-CB 3.1Å; M567-L570 PolarHBondContact O-N 3.09Å; M567-H571 PolarHBondContact O-CD2 3.33Å; M567-H571 VanDerWaalsContact O-CD2 3.23Å; M567-H571 PolarHBondContact O-N 3.49Å
568	K	92.3	Very high	88.4	Confident	98 Å²	98	55.6 Å²	55.6	43%	0.426	29%	0.288	S	S	.	.	H	α-helix	trans	-57.3	-51.9	174.5	-173.4	-177.6	-179.6	-178.7	0	111.7	S564 Y566 L570 H571 D572 Y578	S564-K568 WeakPolarHBondContact O-CB 3.17Å; S564-K568 PolarHBondContact O-N 2.73Å; Y566-K568 VanDerWaalsContact C-N 3.31Å; K568-L570 PolarHBondContact O-N 3.41Å; K568-H571 PolarHBondContact O-N 2.89Å; K568-D572 WeakPolarHBondContact O-CB 3.33Å; K568-D572 PolarHBondContact O-N 3.28Å; K568-Y578 WeakPolarHBondContact CE-OH 3.38Å; K568-Y578 HydrophobicContact CG-CE1 3.98Å; K568-Y578 VanDerWaalsContact CG-OH 3.24Å; K568-Y578 WeakPolarHBondContact CG-OH 3.37Å
569	G	92.7	Very high	89.7	Confident	39 Å²	39	51.5 Å²	51.5	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-33.8	179.3	0	0	0	0	0	113.2	V565 Y566 S573	V565-G569 PolarHBondContact O-N 3.14Å; Y566-G569 PolarHBondContact O-N 3.09Å; G569-S573 VanDerWaalsContact O-CB 3.23Å; G569-S573 WeakPolarHBondContact O-CB 3.46Å; G569-S573 PolarHBondContact O-N 2.99Å; G569-S573 PolarHBondContact O-OG 3.3Å
570	L	93.4	Very high	90.4	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-69.5	-48.6	175.7	-177.2	59.6	0	0	0	111.9	H331 A374 L375 T378 Y566 M567 K568 D572 S573 L574	H331-L570 HydrophobicContact CB-CD1 3.98Å; A374-L570 HydrophobicContact CB-CD2 3.98Å; A374-L570 WeakPolarHBondContact O-CD2 3.24Å; L375-L570 HydrophobicContact CD1-CD1 3.94Å; T378-L570 HydrophobicContact CG2-CG 4.24Å; T378-L570 WeakPolarHBondContact OG1-CD2 3.18Å; T378-L570 WeakPolarHBondContact OG1-CG 2.97Å; Y566-L570 WeakPolarHBondContact O-CB 3.36Å; Y566-L570 PolarHBondContact O-N 3.09Å; M567-L570 WeakPolarHBondContact O-CB 3.1Å; M567-L570 PolarHBondContact O-N 3.09Å; K568-L570 PolarHBondContact O-N 3.41Å; L570-D572 PolarHBondContact O-N 3.5Å; L570-S573 PolarHBondContact O-N 3.4Å; L570-S573 PolarHBondContact O-OG 3.27Å; L570-L574 HydrophobicContact CD1-CD1 4.28Å; L570-L574 PolarHBondContact O-N 3.34Å; L570-L574 VanDerWaalsContact O-N 3.08Å
571	H	95.4	Very high	91.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-46.6	174.2	-83.8	-113	0	0	0	111.9	W29 T378 M567 K568 S573 L574 E575 V576 D577 Y578	W29-H571 AromaticContact CH2-CD2 3.62Å; W29-H571 AromaticContact CH2-CE1 3.61Å; W29-H571 AromaticContact CH2-CG 3.89Å; W29-H571 AromaticContact CH2-ND1 3.87Å; W29-H571 AromaticContact CH2-NE2 3.45Å; W29-H571 WeakPolarHBondContact CH2-NE2 3.28Å; T378-H571 PolarHBondContact OG1-CD2 2.97Å; T378-H571 VanDerWaalsContact OG1-CD2 3.31Å; T378-H571 PolarHBondContact OG1-NE2 3.41Å; M567-H571 PolarHBondContact O-CD2 3.33Å; M567-H571 VanDerWaalsContact O-CD2 3.23Å; M567-H571 PolarHBondContact O-N 3.49Å; K568-H571 PolarHBondContact O-N 2.89Å; H571-S573 VanDerWaalsContact C-N 3.33Å; H571-S573 PolarHBondContact O-N 3.47Å; H571-L574 PolarHBondContact O-N 3.37Å; H571-E575 PolarHBondContact O-N 3.34Å; H571-V576 PolarHBondContact O-N 3.46Å; H571-D577 PolarHBondContact ND1-O 3.27Å; H571-Y578 HydrophobicContact CB-CD1 3.89Å; H571-Y578 HydrophobicContact CB-CE1 3.74Å
572	D	95	Very high	91.5	Very high	81 Å²	81	57.8 Å²	57.8	43%	0.433	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-42.3	176.6	-65.9	-11.9	0	0	0	111.1	K568 L570 L574 E575 Y578	K568-D572 WeakPolarHBondContact O-CB 3.33Å; K568-D572 PolarHBondContact O-N 3.28Å; L570-D572 PolarHBondContact O-N 3.5Å; D572-L574 VanDerWaalsContact C-N 3.31Å; D572-L574 PolarHBondContact O-N 3.45Å; D572-E575 PolarHBondContact O-N 2.76Å; D572-Y578 WeakPolarHBondContact OD1-CE1 3.39Å; D572-Y578 PolarHBondContact OD1-OH 3.13Å; D572-Y578 PolarHBondContact OD2-OH 3.48Å
573	S	93.3	Very high	91.7	Very high	53 Å²	53	60.8 Å²	60.8	37%	0.371	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-34.2	-178.7	74.6	0	0	0	0	113	K395 G569 L570 H571	K395-S573 VanDerWaalsContact CD-O 3.28Å; K395-S573 WeakPolarHBondContact CD-O 3.34Å; K395-S573 WeakPolarHBondContact CE-O 3.3Å; K395-S573 PolarHBondContact NZ-O 2.97Å; G569-S573 VanDerWaalsContact O-CB 3.23Å; G569-S573 WeakPolarHBondContact O-CB 3.46Å; G569-S573 PolarHBondContact O-N 2.99Å; G569-S573 PolarHBondContact O-OG 3.3Å; L570-S573 PolarHBondContact O-N 3.4Å; L570-S573 PolarHBondContact O-OG 3.27Å; H571-S573 VanDerWaalsContact C-N 3.33Å; H571-S573 PolarHBondContact O-N 3.47Å
574	L	95.3	Very high	91.9	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-96.8	2.1	-179.4	-64.6	-173.6	0	0	0	113.7	L375 T378 I379 K382 F390 K395 L570 H571 D572 V576	L375-L574 HydrophobicContact CD1-CD1 3.9Å; T378-L574 HydrophobicContact CG2-CB 4.08Å; T378-L574 HydrophobicContact CG2-CD1 3.79Å; T378-L574 HydrophobicContact CG2-CG 4.38Å; I379-L574 HydrophobicContact CG1-CD1 3.97Å; K382-L574 PolarHBondContact NZ-O 3.24Å; F390-L574 HydrophobicContact CE1-CD1 4.48Å; F390-L574 HydrophobicContact CE1-CD2 3.96Å; F390-L574 HydrophobicContact CZ-CD2 4.1Å; K395-L574 HydrophobicContact CG-CD2 4.49Å; L570-L574 HydrophobicContact CD1-CD1 4.28Å; L570-L574 PolarHBondContact O-N 3.34Å; L570-L574 VanDerWaalsContact O-N 3.08Å; H571-L574 PolarHBondContact O-N 3.37Å; D572-L574 VanDerWaalsContact C-N 3.31Å; D572-L574 PolarHBondContact O-N 3.45Å; L574-V576 HydrophobicContact CB-CG2 3.96Å
575	E	95.2	Very high	92.1	Very high	130 Å²	130	58.3 Å²	58.3	61%	0.607	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	54	-179.8	-59.7	163.5	-164.7	0	0	111.6	K395 H571 D572	K395-E575 HydrophobicContact CD-CG 4.19Å; K395-E575 WeakPolarHBondContact CD-OE1 3.44Å; K395-E575 IonicContact NZ-OE1 2.74Å; K395-E575 PolarHBondContact NZ-OE1 3.49Å; H571-E575 PolarHBondContact O-N 3.34Å; D572-E575 PolarHBondContact O-N 2.76Å
576	V	95.2	Very high	92.2	Very high	13 Å²	13	55.7 Å²	55.7	8%	0.079	29%	0.288	C	S	.	.			trans	-120.6	128.8	-179	-173.5	0	0	0	0	109.6	T378 R381 K382 H571 L574	T378-V576 HydrophobicContact CG2-CB 4.08Å; T378-V576 HydrophobicContact CG2-CG2 3.82Å; R381-V576 HydrophobicContact CB-CG1 3.83Å; K382-V576 HydrophobicContact CB-CG1 4.49Å; K382-V576 HydrophobicContact CB-CG2 3.7Å; K382-V576 HydrophobicContact CD-CG2 3.85Å; K382-V576 HydrophobicContact CG-CG2 3.93Å; H571-V576 PolarHBondContact O-N 3.46Å; L574-V576 HydrophobicContact CB-CG2 3.96Å
577	D	93.6	Very high	92.2	Very high	144 Å²	144	57.4 Å²	57.4	77%	0.77	30%	0.299	S	S	*	.			trans	-60	153.1	175.7	-67.5	-35.2	0	0	0	111.6	H571	H571-D577 PolarHBondContact ND1-O 3.27Å
578	Y	91.7	Very high	92.2	Very high	75 Å²	75	61.4 Å²	61.4	29%	0.294	32%	0.321	S	S	.	.			trans	-73.4	152	172.7	-52.1	-33.8	0	0	0	110	W29 K568 H571 D572 F580	W29-Y578 HydrophobicContact CH2-CD1 4.42Å; W29-Y578 AromaticContact CZ2-CD1 3.73Å; W29-Y578 HydrophobicContact CZ2-CD1 3.73Å; W29-Y578 HydrophobicContact CZ2-CE1 4.41Å; W29-Y578 HydrophobicContact CZ2-CG 4.2Å; K568-Y578 WeakPolarHBondContact CE-OH 3.38Å; K568-Y578 HydrophobicContact CG-CE1 3.98Å; K568-Y578 VanDerWaalsContact CG-OH 3.24Å; K568-Y578 WeakPolarHBondContact CG-OH 3.37Å; H571-Y578 HydrophobicContact CB-CD1 3.89Å; H571-Y578 HydrophobicContact CB-CE1 3.74Å; D572-Y578 WeakPolarHBondContact OD1-CE1 3.39Å; D572-Y578 PolarHBondContact OD1-OH 3.13Å; D572-Y578 PolarHBondContact OD2-OH 3.48Å; Y578-F580 HydrophobicContact CD2-CE2 4.35Å; Y578-F580 HydrophobicContact CG-CE2 4.46Å; Y578-F580 PolarHBondContact O-N 2.64Å; Y578-F580 VanDerWaalsContact O-N 3.09Å
579	P	82.9	Confident	92.2	Very high	24 Å²	24	58.3 Å²	58.3	16%	0.156	31%	0.312	C	S	.	.			trans	-73.4	2.2	-175.3	26.4	-30.9	0	0	0	114.5	W29 F33	W29-P579 HydrophobicContact CH2-CG 4.2Å; W29-P579 HydrophobicContact CZ3-CG 3.91Å; F33-P579 HydrophobicContact CE2-CG 3.53Å; F33-P579 HydrophobicContact CZ-CB 4.13Å; F33-P579 HydrophobicContact CZ-CG 3.56Å
580	F	83.3	Confident	92.2	Very high	128 Å²	128	60.1 Å²	60.1	56%	0.561	30%	0.304	S	S	*	.			trans	-136.4	0	-174.1	45.2	-103.4	0	0	0	112.7	P28 W29 H32 Y578	P28-F580 HydrophobicContact CB-CD2 3.87Å; P28-F580 HydrophobicContact CB-CE1 4.13Å; P28-F580 HydrophobicContact CB-CE2 3.41Å; P28-F580 VanDerWaalsContact CB-CE2 3.41Å; P28-F580 HydrophobicContact CB-CG 4.41Å; P28-F580 HydrophobicContact CB-CZ 3.56Å; P28-F580 HydrophobicContact CG-CE2 4.3Å; W29-F580 HydrophobicContact CB-CE1 4.45Å; W29-F580 AromaticContact CD1-CZ 3.73Å; W29-F580 AromaticContact CD2-CE1 3.78Å; W29-F580 HydrophobicContact CD2-CE1 3.78Å; W29-F580 AromaticContact CD2-CZ 3.96Å; W29-F580 HydrophobicContact CD2-CZ 3.96Å; W29-F580 AromaticContact CE2-CE1 4Å; W29-F580 AromaticContact CE2-CZ 3.76Å; W29-F580 HydrophobicContact CE3-CE1 4.16Å; W29-F580 AromaticContact CG-CE1 3.91Å; W29-F580 HydrophobicContact CG-CE1 3.91Å; W29-F580 AromaticContact CG-CZ 3.92Å; W29-F580 HydrophobicContact CG-CZ 3.92Å; W29-F580 HydrophobicContact CZ2-CZ 4.35Å; W29-F580 AromaticContact NE1-CZ 3.65Å; H32-F580 HydrophobicContact CB-CD1 3.98Å; Y578-F580 HydrophobicContact CD2-CE2 4.35Å; Y578-F580 HydrophobicContact CG-CE2 4.46Å; Y578-F580 PolarHBondContact O-N 2.64Å; Y578-F580 VanDerWaalsContact O-N 3.09Å

Retrieved 580 of 580 residues in 437.5 ms (Link to these results)

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