A0A077Z349_TRITR Loading...

Polyadenylate-binding protein

Binds the poly(A) tail of mRNA.

AlphaFold DB , UniProt , Accession A0A077Z349, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 656 aa.

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(Predicted Aligned Error values between residue pairs)

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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	30.8	Very low	48.4	Very low	235 Å²	235	110.3 Å²	110.3	100%	1.158	67%	0.671	S	S	*	*				0	149.1	0	-65.2	-56.4	-163.7	0	0	108.3
2	A	30.3	Very low	52.1	Low	110 Å²	110	101.8 Å²	101.8	91%	0.909	62%	0.62	S	S	*	*			trans	58.9	87.8	-177.4	0	0	0	0	0	115.8
3	A	30.8	Very low	55.5	Low	105 Å²	105	94 Å²	94	87%	0.868	57%	0.573	S	S	*	*			trans	-155.8	30.8	174.8	0	0	0	0	0	115.5
4	S	35.3	Very low	58.3	Low	82 Å²	82	91.2 Å²	91.2	57%	0.573	55%	0.547	S	S	*	.			trans	-166.1	75.2	173	57.6	0	0	0	0	112.8
5	S	39	Very low	60.9	Low	105 Å²	105	85.1 Å²	85.1	73%	0.734	51%	0.511	S	S	*	.			trans	-135.5	69.1	169.4	53.6	0	0	0	0	111.4	S7	S5-S7 PolarHBondContact O-N 3.22Å; S5-S7 PolarHBondContact O-OG 2.97Å
6	R	51	Low	63	Low	185 Å²	185	79.8 Å²	79.8	70%	0.698	48%	0.479	S	S	*	.			trans	-57.2	106.5	157.6	-84.6	-178	166.6	174.3	-3.2	107.3	Y8	R6-Y8 PolarHBondContact O-N 3.44Å
7	S	44.5	Very low	64.8	Low	106 Å²	106	77.9 Å²	77.9	74%	0.741	47%	0.466	S	S	*	.			trans	-65.5	104.7	-166.3	-43.7	0	0	0	0	110.5	S5 A9	S5-S7 PolarHBondContact O-N 3.22Å; S5-S7 PolarHBondContact O-OG 2.97Å; S7-A9 PolarHBondContact O-N 2.77Å
8	Y	59.7	Low	66.4	Low	61 Å²	61	73.9 Å²	73.9	24%	0.239	44%	0.441	C	S	.	.			trans	-68.6	81.1	165.2	-64.3	-74.4	0	0	0	108	R6 M10 H62 W86	R6-Y8 PolarHBondContact O-N 3.44Å; Y8-M10 CarbonylContact O-C 3.59Å; Y8-M10 PolarHBondContact O-N 3.42Å; Y8-H62 PolarHBondContact O-ND1 3.27Å; Y8-W86 HydrophobicContact CD1-CB 3.91Å; Y8-W86 HydrophobicContact CD1-CG 4.34Å; Y8-W86 HydrophobicContact CD2-CB 4.03Å; Y8-W86 AromaticContact CD2-CD1 3.84Å; Y8-W86 AromaticContact CD2-CD2 3.7Å; Y8-W86 HydrophobicContact CD2-CD2 3.7Å; Y8-W86 HydrophobicContact CD2-CE3 4.22Å; Y8-W86 AromaticContact CD2-CG 3.59Å; Y8-W86 HydrophobicContact CD2-CG 3.59Å; Y8-W86 HydrophobicContact CE1-CB 3.66Å; Y8-W86 HydrophobicContact CE1-CG 4.29Å; Y8-W86 HydrophobicContact CE2-CB 3.78Å; Y8-W86 AromaticContact CE2-CD1 3.49Å; Y8-W86 VanDerWaalsContact CE2-CD1 3.49Å; Y8-W86 HydrophobicContact CE2-CD2 4.14Å; Y8-W86 AromaticContact CE2-CG 3.52Å; Y8-W86 HydrophobicContact CE2-CG 3.52Å; Y8-W86 HydrophobicContact CG-CB 4.09Å; Y8-W86 HydrophobicContact CG-CD2 4.02Å; Y8-W86 HydrophobicContact CG-CE3 4.11Å; Y8-W86 HydrophobicContact CG-CG 4.02Å; Y8-W86 AromaticContact CZ-CG 3.89Å
9	A	55.6	Low	67.9	Low	91 Å²	91	72.9 Å²	72.9	75%	0.752	43%	0.432	S	S	*	.			trans	-64.1	-4.2	-173.1	0	0	0	0	0	114.1	S7	S7-A9 PolarHBondContact O-N 2.77Å
10	M	67	Low	69.1	Low	117 Å²	117	72.7 Å²	72.7	58%	0.576	43%	0.432	S	S	*	.	S	Bend	trans	-115.8	130.2	165.8	-56.9	-86.5	85.2	0	0	107.5	Y8 S12	Y8-M10 CarbonylContact O-C 3.59Å; Y8-M10 PolarHBondContact O-N 3.42Å; M10-S12 WeakPolarHBondContact CB-OG 3.47Å; M10-S12 PolarHBondContact O-N 3.24Å
11	A	88.7	Confident	70.3	Confident	16 Å²	16	74.8 Å²	74.8	13%	0.132	44%	0.441	C	S	.	.			trans	-73.2	54.3	172.7	0	0	0	0	0	111.4	N58 F59 S61 A65	A11-N58 WeakPolarHBondContact O-CA 3.41Å; A11-F59 HydrophobicContact CB-CB 4.09Å; A11-F59 PolarHBondContact O-N 3.06Å; A11-S61 WeakPolarHBondContact CB-O 3.39Å; A11-A65 HydrophobicContact CB-CB 4.15Å
12	S	93.1	Very high	73.3	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.063	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.9	-169.3	-68.1	0	0	0	0	110.7	M10 V57 N58 S87	M10-S12 WeakPolarHBondContact CB-OG 3.47Å; M10-S12 PolarHBondContact O-N 3.24Å; S12-V57 WeakPolarHBondContact CA-O 3.44Å; S12-N58 VanDerWaalsContact CB-OD1 3.31Å; S12-N58 WeakPolarHBondContact CB-OD1 3.37Å; S12-N58 PolarHBondContact OG-OD1 2.76Å; S12-S87 WeakPolarHBondContact O-CB 3.12Å; S12-S87 PolarHBondContact O-N 3.16Å
13	L	95.6	Very high	76.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	141.9	174	-56.7	-179.5	0	0	0	111	V15 Y56 V57 F59 A65 A68 L69 I84 M85 W86	L13-V15 HydrophobicContact CB-CG2 4.46Å; L13-Y56 WeakPolarHBondContact O-CA 3.49Å; L13-V57 PolarHBondContact N-O 3.23Å; L13-V57 PolarHBondContact O-N 2.9Å; L13-F59 HydrophobicContact CD1-CD2 4.32Å; L13-F59 HydrophobicContact CD1-CE2 3.81Å; L13-A65 HydrophobicContact CD1-CB 4.32Å; L13-A65 WeakPolarHBondContact CD1-O 3.49Å; L13-A65 HydrophobicContact CD2-CB 4.06Å; L13-A65 HydrophobicContact CG-CB 4.05Å; L13-A68 HydrophobicContact CD1-CB 3.87Å; L13-L69 HydrophobicContact CD2-CB 4.39Å; L13-L69 HydrophobicContact CD2-CD1 4.19Å; L13-I84 HydrophobicContact CB-CG2 4.22Å; L13-I84 HydrophobicContact CD1-CG2 3.81Å; L13-I84 HydrophobicContact CD2-CG2 4.32Å; L13-I84 HydrophobicContact CG-CG2 4.35Å; L13-M85 CarbonylContact C-O 3.53Å; L13-M85 WeakPolarHBondContact CA-O 3.39Å; L13-W86 HydrophobicContact CD2-CD2 4.18Å; L13-W86 HydrophobicContact CD2-CE3 3.75Å; L13-W86 HydrophobicContact CD2-CZ3 3.94Å
14	Y	95.2	Very high	79.5	Confident	55 Å²	55	59.3 Å²	59.3	22%	0.216	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	128.5	161.1	170.6	-87.7	0	0	0	108.1	Y54 Y56 I84 M85	Y14-Y54 HydrophobicContact CD2-CD2 4.01Å; Y14-Y54 AromaticContact CE2-CD2 3.33Å; Y14-Y54 HydrophobicContact CE2-CD2 3.33Å; Y14-Y54 AromaticContact CE2-CE2 3.86Å; Y14-Y54 HydrophobicContact CE2-CE2 3.86Å; Y14-Y54 AromaticContact CE2-CG 3.74Å; Y14-Y54 HydrophobicContact CE2-CG 3.74Å; Y14-Y56 AromaticContact CD2-CE1 3.84Å; Y14-Y56 HydrophobicContact CD2-CE1 3.84Å; Y14-I84 WeakPolarHBondContact O-CA 3.35Å; Y14-M85 HydrophobicContact CD1-CB 4.31Å; Y14-M85 HydrophobicContact CD1-CG 4.33Å; Y14-M85 HydrophobicContact CD1-SD 4.07Å; Y14-M85 HydrophobicContact CE1-SD 4.34Å; Y14-M85 PolarHBondContact N-O 3.03Å; Y14-M85 PolarHBondContact O-N 3.44Å
15	V	96.7	Very high	82.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	99.2	-179.9	-172.7	0	0	0	0	108.2	L13 L18 F31 Y54 A55 V57 M82 I84	L13-V15 HydrophobicContact CB-CG2 4.46Å; V15-L18 HydrophobicContact CG1-CD2 3.92Å; V15-L18 HydrophobicContact CG1-CG 4.44Å; V15-F31 HydrophobicContact CG1-CE2 4.22Å; V15-F31 HydrophobicContact CG1-CZ 4.15Å; V15-F31 HydrophobicContact CG2-CE2 3.84Å; V15-F31 HydrophobicContact CG2-CZ 3.68Å; V15-Y54 CarbonylContact O-C 3.54Å; V15-Y54 WeakPolarHBondContact O-CA 3.39Å; V15-Y54 WeakPolarHBondContact O-CB 3.31Å; V15-A55 PolarHBondContact N-O 2.99Å; V15-A55 PolarHBondContact O-N 2.86Å; V15-V57 HydrophobicContact CG2-CB 4.44Å; V15-V57 HydrophobicContact CG2-CG2 3.81Å; V15-M82 HydrophobicContact CG1-CB 4.06Å; V15-M82 HydrophobicContact CG1-CG 4.33Å; V15-M82 HydrophobicContact CG1-SD 3.69Å; V15-I84 HydrophobicContact CG1-CG1 4.5Å
16	G	94.9	Very high	85	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	176.7	-176.3	0	0	0	0	0	114.6	L18 G53 R83	G16-L18 PolarHBondContact O-N 3.05Å; G16-G53 CarbonylContact C-O 3.44Å; G16-R83 PolarHBondContact N-O 3.35Å; G16-R83 PolarHBondContact O-N 3.35Å
17	D	93	Very high	87.2	Confident	48 Å²	48	45.9 Å²	45.9	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	61.8	22.1	174.6	-65.2	-55.3	0	0	0	115.5	G53 R83 K129	D17-G53 PolarHBondContact N-O 2.63Å; D17-R83 HydrophobicContact CB-CB 4.43Å; D17-R83 IonicContact OD2-CZ 2.66Å; D17-R83 IonicContact OD2-NE 2.65Å; D17-R83 PolarHBondContact OD2-NE 2.85Å; D17-R83 IonicContact OD2-NH2 3.68Å; D17-R83 PolarHBondContact OD2-NH2 2.9Å; D17-K129 IonicContact OD1-NZ 3.86Å; D17-K129 PolarHBondContact OD1-NZ 3.26Å; D17-K129 WeakPolarHBondContact OD2-CE 3.41Å; D17-K129 IonicContact OD2-NZ 3.72Å; D17-K129 PolarHBondContact OD2-NZ 3.4Å
18	L	95.1	Very high	89.7	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	25%	0.252	C	S	.	.			trans	-61.8	152.8	176.7	-61.6	178.1	0	0	0	112.6	V15 G16 V22 L27 G53 A55 M82	V15-L18 HydrophobicContact CG1-CD2 3.92Å; V15-L18 HydrophobicContact CG1-CG 4.44Å; G16-L18 PolarHBondContact O-N 3.05Å; L18-V22 HydrophobicContact CB-CB 4.32Å; L18-V22 HydrophobicContact CB-CG2 4.42Å; L18-V22 HydrophobicContact CD1-CG1 4.14Å; L18-V22 HydrophobicContact CD2-CG1 4.39Å; L18-L27 HydrophobicContact CD1-CD1 3.98Å; L18-L27 HydrophobicContact CD1-CD2 4.33Å; L18-L27 HydrophobicContact CD2-CD2 4.04Å; L18-G53 PolarHBondContact N-O 3.41Å; L18-A55 HydrophobicContact CD1-CB 3.87Å; L18-M82 HydrophobicContact CD2-CB 3.94Å
19	H	93.5	Very high	91.3	Very high	56 Å²	56	47.8 Å²	47.8	26%	0.259	27%	0.267	S	S	.	.			trans	-66.9	143.7	167.8	-169.8	-98.1	0	0	0	110.5	D21 V22 M78 R80	H19-D21 IonicContact CE1-OD2 2.72Å; H19-D21 PolarHBondContact CE1-OD2 2.9Å; H19-D21 IonicContact ND1-OD2 3.53Å; H19-D21 PolarHBondContact ND1-OD2 3.31Å; H19-D21 PolarHBondContact O-N 3.07Å; H19-D21 VanDerWaalsContact O-N 3.07Å; H19-V22 HydrophobicContact CB-CG2 3.95Å; H19-V22 WeakPolarHBondContact O-CB 3.09Å; H19-V22 WeakPolarHBondContact O-CG2 3.2Å; H19-V22 PolarHBondContact O-N 3.46Å; H19-M78 HydrophobicContact CB-CB 3.78Å; H19-R80 HydrophobicContact CB-CB 4.49Å
20	P	92.3	Very high	93.2	Very high	67 Å²	67	46.3 Å²	46.3	44%	0.435	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26	-173.2	-28.4	37	0	0	0	115.8	S51	P20-S51 WeakPolarHBondContact O-CB 3.35Å
21	D	93.5	Very high	94.6	Very high	118 Å²	118	40.8 Å²	40.8	63%	0.631	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.8	-179	-53.5	-47.4	0	0	0	113.8	H19 N23	H19-D21 IonicContact CE1-OD2 2.72Å; H19-D21 PolarHBondContact CE1-OD2 2.9Å; H19-D21 IonicContact ND1-OD2 3.53Å; H19-D21 PolarHBondContact ND1-OD2 3.31Å; H19-D21 PolarHBondContact O-N 3.07Å; H19-D21 VanDerWaalsContact O-N 3.07Å; D21-N23 PolarHBondContact O-N 3.19Å
22	V	95	Very high	94.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.227	C	C	.	.			trans	-64	124.1	176.7	174.4	0	0	0	0	109.7	L18 H19 N26 L27 V77 M78	L18-V22 HydrophobicContact CB-CB 4.32Å; L18-V22 HydrophobicContact CB-CG2 4.42Å; L18-V22 HydrophobicContact CD1-CG1 4.14Å; L18-V22 HydrophobicContact CD2-CG1 4.39Å; H19-V22 HydrophobicContact CB-CG2 3.95Å; H19-V22 WeakPolarHBondContact O-CB 3.09Å; H19-V22 WeakPolarHBondContact O-CG2 3.2Å; H19-V22 PolarHBondContact O-N 3.46Å; V22-N26 HydrophobicContact CG1-CB 4.33Å; V22-L27 HydrophobicContact CG1-CD1 4.2Å; V22-L27 HydrophobicContact CG1-CD2 3.73Å; V22-L27 HydrophobicContact CG1-CG 3.73Å; V22-V77 HydrophobicContact CG1-CG1 4.35Å; V22-V77 HydrophobicContact CG2-CG1 3.73Å; V22-M78 HydrophobicContact CG2-CB 4.31Å; V22-M78 HydrophobicContact CG2-CG 3.97Å
23	N	94.8	Very high	95	Very high	59 Å²	59	47 Å²	47	32%	0.316	26%	0.255	S	S	.	.			trans	-109.6	174.5	176.5	66.5	55.9	0	0	0	111.9	D21 A25 N26 L27	D21-N23 PolarHBondContact O-N 3.19Å; N23-A25 VanDerWaalsContact C-N 3.27Å; N23-A25 PolarHBondContact O-N 3.32Å; N23-A25 WeakPolarHBondContact OD1-CA 3.06Å; N23-A25 WeakPolarHBondContact OD1-CB 3.5Å; N23-A25 PolarHBondContact OD1-N 2.79Å; N23-N26 VanDerWaalsContact CG-OD1 3.24Å; N23-N26 PolarHBondContact N-OD1 3.13Å; N23-N26 PolarHBondContact ND2-OD1 2.6Å; N23-N26 VanDerWaalsContact ND2-OD1 3.09Å; N23-N26 PolarHBondContact O-N 3.47Å; N23-N26 PolarHBondContact OD1-N 3.24Å; N23-N26 VanDerWaalsContact OD1-N 3.08Å; N23-N26 PolarHBondContact OD1-OD1 3.06Å; N23-L27 PolarHBondContact O-N 3.07Å
24	E	96.1	Very high	95	Very high	64 Å²	64	47.5 Å²	47.5	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-58.7	-34.2	-177.8	-68.9	75.1	-176.1	0	0	112.8	F28 I40 V42 R44	E24-F28 WeakPolarHBondContact O-CB 3.4Å; E24-F28 PolarHBondContact O-N 3.26Å; E24-I40 HydrophobicContact CB-CG2 4.44Å; E24-I40 HydrophobicContact CG-CG2 4.47Å; E24-V42 HydrophobicContact CG-CB 4.43Å; E24-V42 HydrophobicContact CG-CG2 4.01Å; E24-V42 VanDerWaalsContact OE1-CB 3.31Å; E24-V42 WeakPolarHBondContact OE1-CB 2.92Å; E24-V42 PolarHBondContact OE1-N 3.37Å; E24-R44 IonicContact OE1-CZ 3.86Å; E24-R44 IonicContact OE1-NE 3.36Å; E24-R44 PolarHBondContact OE1-NE 3.36Å; E24-R44 IonicContact OE1-NH2 3.94Å; E24-R44 IonicContact OE2-CZ 2.81Å; E24-R44 IonicContact OE2-NE 3.34Å; E24-R44 IonicContact OE2-NH2 2.94Å; E24-R44 PolarHBondContact OE2-NH2 2.9Å
25	A	95.6	Very high	94.9	Very high	52 Å²	52	45.5 Å²	45.5	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-72.4	-43.8	178.1	0	0	0	0	0	112	N23 L27 F28 D29	N23-A25 VanDerWaalsContact C-N 3.27Å; N23-A25 PolarHBondContact O-N 3.32Å; N23-A25 WeakPolarHBondContact OD1-CA 3.06Å; N23-A25 WeakPolarHBondContact OD1-CB 3.5Å; N23-A25 PolarHBondContact OD1-N 2.79Å; A25-L27 PolarHBondContact O-N 2.81Å; A25-L27 VanDerWaalsContact O-N 3.12Å; A25-F28 WeakPolarHBondContact O-CA 3.27Å; A25-F28 WeakPolarHBondContact O-CB 3.49Å; A25-F28 PolarHBondContact O-N 3.34Å; A25-D29 PolarHBondContact O-N 2.86Å
26	N	95	Very high	94.8	Very high	39 Å²	39	48.9 Å²	48.9	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-31.2	177	-56.1	136.9	0	0	0	113	V22 N23	V22-N26 HydrophobicContact CG1-CB 4.33Å; N23-N26 VanDerWaalsContact CG-OD1 3.24Å; N23-N26 PolarHBondContact N-OD1 3.13Å; N23-N26 PolarHBondContact ND2-OD1 2.6Å; N23-N26 VanDerWaalsContact ND2-OD1 3.09Å; N23-N26 PolarHBondContact O-N 3.47Å; N23-N26 PolarHBondContact OD1-N 3.24Å; N23-N26 VanDerWaalsContact OD1-N 3.08Å; N23-N26 PolarHBondContact OD1-OD1 3.06Å
27	L	96.4	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-80.3	-34.2	174	-62.2	179.6	0	0	0	111.8	L18 V22 N23 A25 K30 F31 I40 V42 A55	L18-L27 HydrophobicContact CD1-CD1 3.98Å; L18-L27 HydrophobicContact CD1-CD2 4.33Å; L18-L27 HydrophobicContact CD2-CD2 4.04Å; V22-L27 HydrophobicContact CG1-CD1 4.2Å; V22-L27 HydrophobicContact CG1-CD2 3.73Å; V22-L27 HydrophobicContact CG1-CG 3.73Å; N23-L27 PolarHBondContact O-N 3.07Å; A25-L27 PolarHBondContact O-N 2.81Å; A25-L27 VanDerWaalsContact O-N 3.12Å; L27-K30 PolarHBondContact O-N 3.39Å; L27-F31 HydrophobicContact CB-CD2 4.2Å; L27-F31 HydrophobicContact CB-CE2 4.5Å; L27-F31 HydrophobicContact CD2-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CB 3.33Å; L27-F31 VanDerWaalsContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 PolarHBondContact O-N 2.94Å; L27-I40 VanDerWaalsContact C-CD1 3.48Å; L27-I40 HydrophobicContact CB-CD1 3.75Å; L27-I40 HydrophobicContact CB-CG2 4.02Å; L27-I40 HydrophobicContact CD1-CG2 3.92Å; L27-V42 HydrophobicContact CD1-CG2 3.88Å; L27-A55 HydrophobicContact CD1-CB 3.41Å; L27-A55 VanDerWaalsContact CD1-CB 3.41Å
28	F	96.3	Very high	94.9	Very high	101 Å²	101	52.5 Å²	52.5	44%	0.443	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-47.8	176.7	-174.6	-93.1	0	0	0	111.6	E24 A25 K30 F31 S32 V37 I40	E24-F28 WeakPolarHBondContact O-CB 3.4Å; E24-F28 PolarHBondContact O-N 3.26Å; A25-F28 WeakPolarHBondContact O-CA 3.27Å; A25-F28 WeakPolarHBondContact O-CB 3.49Å; A25-F28 PolarHBondContact O-N 3.34Å; F28-K30 PolarHBondContact O-N 2.73Å; F28-K30 VanDerWaalsContact O-N 3.17Å; F28-F31 PolarHBondContact O-N 2.88Å; F28-S32 WeakPolarHBondContact O-CB 3.35Å; F28-S32 PolarHBondContact O-N 3.47Å; F28-S32 PolarHBondContact O-OG 3.35Å; F28-V37 HydrophobicContact CD2-CB 4.36Å; F28-V37 HydrophobicContact CE2-CB 4.25Å; F28-I40 HydrophobicContact CB-CD1 3.95Å; F28-I40 HydrophobicContact CD2-CD1 4.48Å; F28-I40 VanDerWaalsContact N-CD1 3.31Å
29	D	95	Very high	94.9	Very high	106 Å²	106	54.6 Å²	54.6	57%	0.567	32%	0.316	S	S	*	.	H	α-helix	trans	-56.8	-32.4	176.7	-56.5	-27.8	0	0	0	111.7	A25	A25-D29 PolarHBondContact O-N 2.86Å
30	K	94.8	Very high	95	Very high	60 Å²	60	53.4 Å²	53.4	26%	0.261	31%	0.311	S	S	.	.	H	α-helix	trans	-79.4	-58	177	-173.2	62.4	177.1	173.7	0	111.9	L27 F28 S32 T33 M72 D75 M82	L27-K30 PolarHBondContact O-N 3.39Å; F28-K30 PolarHBondContact O-N 2.73Å; F28-K30 VanDerWaalsContact O-N 3.17Å; K30-S32 PolarHBondContact O-N 3.03Å; K30-T33 PolarHBondContact O-N 2.75Å; K30-T33 PolarHBondContact O-OG1 2.86Å; K30-M72 HydrophobicContact CD-SD 4.44Å; K30-M72 HydrophobicContact CG-SD 4.09Å; K30-M72 WeakPolarHBondContact O-CE 3.24Å; K30-D75 WeakPolarHBondContact CE-OD2 3.42Å; K30-D75 IonicContact NZ-OD2 2.59Å; K30-D75 PolarHBondContact NZ-OD2 3.42Å; K30-M82 HydrophobicContact CG-CE 4.11Å
31	F	96.5	Very high	95.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.2	-24.1	-170.5	-76.7	-62.8	0	0	0	114.7	V15 L27 F28 T33 A34 V37 V57 F59 A68 M72 M82 I84	V15-F31 HydrophobicContact CG1-CE2 4.22Å; V15-F31 HydrophobicContact CG1-CZ 4.15Å; V15-F31 HydrophobicContact CG2-CE2 3.84Å; V15-F31 HydrophobicContact CG2-CZ 3.68Å; L27-F31 HydrophobicContact CB-CD2 4.2Å; L27-F31 HydrophobicContact CB-CE2 4.5Å; L27-F31 HydrophobicContact CD2-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CB 3.33Å; L27-F31 VanDerWaalsContact O-CD2 3.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.48Å; L27-F31 PolarHBondContact O-N 2.94Å; F28-F31 PolarHBondContact O-N 2.88Å; F31-T33 PolarHBondContact O-N 3.45Å; F31-T33 VanDerWaalsContact O-N 3.17Å; F31-A34 WeakPolarHBondContact O-CB 3.08Å; F31-A34 PolarHBondContact O-N 3.28Å; F31-V37 HydrophobicContact CB-CG2 3.94Å; F31-V57 HydrophobicContact CB-CG1 4.22Å; F31-V57 HydrophobicContact CD2-CB 4.49Å; F31-V57 HydrophobicContact CD2-CG1 4.14Å; F31-V57 HydrophobicContact CD2-CG2 3.74Å; F31-V57 HydrophobicContact CE2-CG2 3.8Å; F31-V57 HydrophobicContact CG-CG1 4.08Å; F31-V57 HydrophobicContact CG-CG2 4.48Å; F31-F59 HydrophobicContact CB-CZ 3.85Å; F31-F59 HydrophobicContact CD1-CE2 4.25Å; F31-F59 AromaticContact CD1-CZ 3.87Å; F31-F59 HydrophobicContact CD1-CZ 3.87Å; F31-F59 HydrophobicContact CG-CZ 4.2Å; F31-F59 WeakPolarHBondContact O-CE1 3.27Å; F31-A68 HydrophobicContact CD1-CB 3.99Å; F31-A68 HydrophobicContact CE1-CB 4.18Å; F31-M72 HydrophobicContact CD1-SD 3.63Å; F31-M72 HydrophobicContact CE1-CB 4.46Å; F31-M72 HydrophobicContact CE1-SD 3.85Å; F31-M72 HydrophobicContact CG-SD 4.5Å; F31-M82 HydrophobicContact CE2-SD 4.2Å; F31-M82 HydrophobicContact CZ-SD 3.64Å; F31-I84 HydrophobicContact CE1-CD1 3.75Å; F31-I84 HydrophobicContact CZ-CD1 3.86Å; F31-I84 HydrophobicContact CZ-CG1 4.35Å
32	S	95	Very high	95.3	Very high	51 Å²	51	50.4 Å²	50.4	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.8	172.7	56	0	0	0	0	113.3	F28 K30 A34 G35	F28-S32 WeakPolarHBondContact O-CB 3.35Å; F28-S32 PolarHBondContact O-N 3.47Å; F28-S32 PolarHBondContact O-OG 3.35Å; K30-S32 PolarHBondContact O-N 3.03Å; S32-A34 VanDerWaalsContact C-N 3.29Å; S32-A34 PolarHBondContact O-N 3.45Å; S32-G35 PolarHBondContact O-N 3.01Å
33	T	95.3	Very high	95.3	Very high	104 Å²	104	50.7 Å²	50.7	64%	0.638	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.9	174.6	67.3	0	0	0	0	113.8	K30 F31 M72	K30-T33 PolarHBondContact O-N 2.75Å; K30-T33 PolarHBondContact O-OG1 2.86Å; F31-T33 PolarHBondContact O-N 3.45Å; F31-T33 VanDerWaalsContact O-N 3.17Å; T33-M72 WeakPolarHBondContact OG1-CE 3.2Å
34	A	94.8	Very high	95.3	Very high	12 Å²	12	52.4 Å²	52.4	10%	0.099	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-38.6	171.6	0	0	0	0	0	112.2	F31 S32 F59 R67 A68 M72	F31-A34 WeakPolarHBondContact O-CB 3.08Å; F31-A34 PolarHBondContact O-N 3.28Å; S32-A34 VanDerWaalsContact C-N 3.29Å; S32-A34 PolarHBondContact O-N 3.45Å; A34-F59 HydrophobicContact CB-CE1 4Å; A34-F59 HydrophobicContact CB-CZ 4.12Å; A34-R67 PolarHBondContact O-NH2 2.81Å; A34-A68 HydrophobicContact CB-CB 3.67Å; A34-M72 HydrophobicContact CB-CE 3.73Å
35	G	93.8	Very high	95	Very high	12 Å²	12	51.2 Å²	51.2	12%	0.124	28%	0.282	C	S	.	.	S	Bend	trans	167.4	-177.3	-179.3	0	0	0	0	0	112.9	S32 V37	S32-G35 PolarHBondContact O-N 3.01Å; G35-V37 PolarHBondContact O-N 3.21Å
36	P	95	Very high	94.6	Very high	71 Å²	71	54.3 Å²	54.3	46%	0.461	30%	0.301	S	S	.	.			trans	-61.1	118.8	-177.6	-24.7	35.5	0	0	0	113.4	F59 Q60 D64	P36-F59 WeakPolarHBondContact O-CA 3.39Å; P36-Q60 HydrophobicContact CB-CB 4.03Å; P36-Q60 PolarHBondContact O-N 2.78Å; P36-D64 WeakPolarHBondContact CD-OD2 3.17Å
37	V	94.9	Very high	94.2	Very high	25 Å²	25	58.3 Å²	58.3	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.2	178.2	-177.3	0	0	0	0	110	F28 F31 G35 I40 V57 N58 F59	F28-V37 HydrophobicContact CD2-CB 4.36Å; F28-V37 HydrophobicContact CE2-CB 4.25Å; F31-V37 HydrophobicContact CB-CG2 3.94Å; G35-V37 PolarHBondContact O-N 3.21Å; V37-I40 HydrophobicContact CG1-CD1 4.05Å; V37-I40 HydrophobicContact CG1-CG1 3.61Å; V37-V57 HydrophobicContact CG1-CG1 4Å; V37-N58 CarbonylContact C-O 3.59Å; V37-F59 HydrophobicContact CG2-CD1 4.11Å; V37-F59 HydrophobicContact CG2-CE1 3.72Å; V37-F59 HydrophobicContact CG2-CZ 4.15Å
38	V	94.2	Very high	93.9	Very high	99 Å²	99	61 Å²	61	60%	0.6	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	-39.1	179.2	174.9	0	0	0	0	111.6	N58 Q60	V38-N58 HydrophobicContact CB-CB 4.45Å; V38-N58 PolarHBondContact N-O 2.85Å; V38-Q60 HydrophobicContact CG2-CB 3.96Å
39	S	94.7	Very high	93.5	Very high	49 Å²	49	60.9 Å²	60.9	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	145.2	177	69.8	0	0	0	0	112.8	N58	S39-N58 PolarHBondContact N-O 2.79Å; S39-N58 PolarHBondContact O-N 2.91Å; S39-N58 PolarHBondContact OG-ND2 2.99Å
40	I	96.1	Very high	93.3	Very high	31 Å²	31	63.9 Å²	63.9	16%	0.159	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.8	166.8	-57.9	-170.1	0	0	0	109.5	E24 L27 F28 V37 Y56 V57	E24-I40 HydrophobicContact CB-CG2 4.44Å; E24-I40 HydrophobicContact CG-CG2 4.47Å; L27-I40 VanDerWaalsContact C-CD1 3.48Å; L27-I40 HydrophobicContact CB-CD1 3.75Å; L27-I40 HydrophobicContact CB-CG2 4.02Å; L27-I40 HydrophobicContact CD1-CG2 3.92Å; F28-I40 HydrophobicContact CB-CD1 3.95Å; F28-I40 HydrophobicContact CD2-CD1 4.48Å; F28-I40 VanDerWaalsContact N-CD1 3.31Å; V37-I40 HydrophobicContact CG1-CD1 4.05Å; V37-I40 HydrophobicContact CG1-CG1 3.61Å; I40-Y56 WeakPolarHBondContact CA-O 3.43Å; I40-V57 HydrophobicContact CD1-CG1 4.43Å; I40-V57 HydrophobicContact CD1-CG2 4.25Å; I40-V57 HydrophobicContact CG1-CG1 4.23Å; I40-V57 HydrophobicContact CG1-CG2 4.16Å; I40-V57 HydrophobicContact CG2-CG2 4.3Å
41	R	95.2	Very high	93.1	Very high	117 Å²	117	61.8 Å²	61.8	44%	0.442	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	108.6	172.6	-178.1	-174.7	-59.6	-106.2	1.6	110	A55 Y56 A549	R41-A55 CarbonylContact O-C 3.57Å; R41-A55 WeakPolarHBondContact O-CA 3.09Å; R41-A55 WeakPolarHBondContact O-CB 3.36Å; R41-Y56 PolarHBondContact N-O 2.96Å; R41-Y56 PolarHBondContact O-N 3.13Å; R41-A549 PolarHBondContact NH1-O 3.41Å; R41-A549 PolarHBondContact NH2-O 2.94Å
42	V	96.3	Very high	93	Very high	6 Å²	6	65.6 Å²	65.6	4%	0.036	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.9	166.5	-178.4	0	0	0	0	108	E24 L27 R44 S51 A55	E24-V42 HydrophobicContact CG-CB 4.43Å; E24-V42 HydrophobicContact CG-CG2 4.01Å; E24-V42 VanDerWaalsContact OE1-CB 3.31Å; E24-V42 WeakPolarHBondContact OE1-CB 2.92Å; E24-V42 PolarHBondContact OE1-N 3.37Å; L27-V42 HydrophobicContact CD1-CG2 3.88Å; V42-R44 HydrophobicContact CG1-CG 4.37Å; V42-S51 WeakPolarHBondContact CG1-OG 3.4Å; V42-A55 HydrophobicContact CG2-CB 4.19Å
43	C	94.7	Very high	92.9	Very high	6 Å²	6	64 Å²	64	4%	0.041	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.4	179.4	-87.1	0	0	0	0	109.5	S51 L52 Y54 Y545	C43-S51 WeakPolarHBondContact O-CA 3.48Å; C43-L52 PolarHBondContact O-N 3.36Å; C43-Y54 HydrophobicContact CB-CD1 4.17Å; C43-Y54 HydrophobicContact CB-CD2 3.72Å; C43-Y54 HydrophobicContact CB-CE1 4.03Å; C43-Y54 HydrophobicContact CB-CE2 3.58Å; C43-Y54 HydrophobicContact CB-CG 4.05Å; C43-Y54 WeakPolarHBondContact CB-O 3.34Å; C43-Y54 PolarHBondContact N-O 3.46Å; C43-Y54 WeakPolarHBondContact SG-CE2 3.33Å; C43-Y545 WeakPolarHBondContact CB-OH 3.44Å; C43-Y545 PolarHBondContact SG-OH 3.07Å
44	R	95.7	Very high	93	Very high	95 Å²	95	61 Å²	61	36%	0.358	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.3	-170.5	-63.8	167.8	-176.6	-90.8	3.8	110.7	E24 V42 V49 R50	E24-R44 IonicContact OE1-CZ 3.86Å; E24-R44 IonicContact OE1-NE 3.36Å; E24-R44 PolarHBondContact OE1-NE 3.36Å; E24-R44 IonicContact OE1-NH2 3.94Å; E24-R44 IonicContact OE2-CZ 2.81Å; E24-R44 IonicContact OE2-NE 3.34Å; E24-R44 IonicContact OE2-NH2 2.94Å; E24-R44 PolarHBondContact OE2-NH2 2.9Å; V42-R44 HydrophobicContact CG1-CG 4.37Å; R44-V49 PolarHBondContact NH1-O 2.87Å; R44-R50 CarbonylContact C-O 3.58Å; R44-R50 VanDerWaalsContact CA-O 3.24Å; R44-R50 WeakPolarHBondContact CA-O 3.47Å
45	D	89.5	Confident	93.1	Very high	40 Å²	40	60.5 Å²	60.5	21%	0.214	33%	0.332	C	S	.	.			trans	-65.5	128.1	174.8	174.9	-99.6	0	0	0	110.6	T47 T48 V49 R50 L52	D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 2.99Å; D45-T47 PolarHBondContact OD1-N 3.47Å; D45-T48 WeakPolarHBondContact OD1-CA 3.48Å; D45-T48 VanDerWaalsContact OD1-CB 3.3Å; D45-T48 WeakPolarHBondContact OD1-CB 3.22Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.41Å; D45-T48 PolarHBondContact OD1-N 2.83Å; D45-T48 PolarHBondContact OD1-OG1 3.15Å; D45-V49 VanDerWaalsContact O-CA 3.23Å; D45-V49 WeakPolarHBondContact O-CA 3.22Å; D45-V49 PolarHBondContact O-N 2.84Å; D45-R50 PolarHBondContact N-O 3.38Å; D45-L52 HydrophobicContact CB-CD2 4.08Å; D45-L52 HydrophobicContact CB-CG 4.41Å
46	S	88.2	Confident	93.2	Very high	117 Å²	117	63 Å²	63	82%	0.818	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.3	-172.1	57	0	0	0	0	114.3
47	T	86.3	Confident	93.3	Very high	123 Å²	123	59.7 Å²	59.7	76%	0.755	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-31.5	-176.7	-56.6	0	0	0	0	112.2	D45	D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 2.99Å; D45-T47 PolarHBondContact OD1-N 3.47Å
48	T	90.2	Very high	93.3	Very high	57 Å²	57	60.5 Å²	60.5	35%	0.35	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-4.4	-172.3	68.7	0	0	0	0	114.4	D45 R50	D45-T48 WeakPolarHBondContact OD1-CA 3.48Å; D45-T48 VanDerWaalsContact OD1-CB 3.3Å; D45-T48 WeakPolarHBondContact OD1-CB 3.22Å; D45-T48 WeakPolarHBondContact OD1-CG2 3.41Å; D45-T48 PolarHBondContact OD1-N 2.83Å; D45-T48 PolarHBondContact OD1-OG1 3.15Å; T48-R50 PolarHBondContact O-N 2.81Å; T48-R50 PolarHBondContact OG1-NE 2.81Å; T48-R50 PolarHBondContact OG1-NH2 2.64Å
49	V	87.9	Confident	93.4	Very high	98 Å²	98	56.3 Å²	56.3	59%	0.594	29%	0.294	S	S	*	.			trans	61.3	1.9	174.6	-162.2	0	0	0	0	114.8	R44 D45	R44-V49 PolarHBondContact NH1-O 2.87Å; D45-V49 VanDerWaalsContact O-CA 3.23Å; D45-V49 WeakPolarHBondContact O-CA 3.22Å; D45-V49 PolarHBondContact O-N 2.84Å
50	R	89.4	Confident	93.3	Very high	168 Å²	168	61 Å²	61	63%	0.634	31%	0.31	S	S	*	.			trans	-72.9	148.4	176.1	-69.9	178.9	-65	-152	2.3	111.4	R44 D45 T48	R44-R50 CarbonylContact C-O 3.58Å; R44-R50 VanDerWaalsContact CA-O 3.24Å; R44-R50 WeakPolarHBondContact CA-O 3.47Å; D45-R50 PolarHBondContact N-O 3.38Å; T48-R50 PolarHBondContact O-N 2.81Å; T48-R50 PolarHBondContact OG1-NE 2.81Å; T48-R50 PolarHBondContact OG1-NH2 2.64Å
51	S	92	Very high	93.1	Very high	17 Å²	17	62 Å²	62	12%	0.119	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	139	174.4	-176.2	0	0	0	0	111.5	P20 V42 C43 G53	P20-S51 WeakPolarHBondContact O-CB 3.35Å; V42-S51 WeakPolarHBondContact CG1-OG 3.4Å; C43-S51 WeakPolarHBondContact O-CA 3.48Å; S51-G53 PolarHBondContact OG-N 3.19Å; S51-G53 VanDerWaalsContact OG-N 3.09Å
52	L	93.2	Very high	93	Very high	79 Å²	79	60 Å²	60	41%	0.414	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	8.8	170.5	-67.2	165.6	0	0	0	111.9	C43 D45 Y54 Y545	C43-L52 PolarHBondContact O-N 3.36Å; D45-L52 HydrophobicContact CB-CD2 4.08Å; D45-L52 HydrophobicContact CB-CG 4.41Å; L52-Y54 HydrophobicContact CB-CD1 4.08Å; L52-Y54 HydrophobicContact CB-CE1 3.88Å; L52-Y545 HydrophobicContact CD1-CE2 3.92Å; L52-Y545 VanDerWaalsContact CD1-OH 3.27Å; L52-Y545 WeakPolarHBondContact CD1-OH 3.31Å
53	G	93.9	Very high	92.9	Very high	19 Å²	19	61.6 Å²	61.6	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.7	17.3	176.9	0	0	0	0	0	114.4	G16 D17 L18 S51	G16-G53 CarbonylContact C-O 3.44Å; D17-G53 PolarHBondContact N-O 2.63Å; L18-G53 PolarHBondContact N-O 3.41Å; S51-G53 PolarHBondContact OG-N 3.19Å; S51-G53 VanDerWaalsContact OG-N 3.09Å
54	Y	96.2	Very high	92.9	Very high	41 Å²	41	62.2 Å²	62.2	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.9	175.1	70.2	-85.8	0	0	0	113.4	Y14 V15 C43 L52 Y56 Y545	Y14-Y54 HydrophobicContact CD2-CD2 4.01Å; Y14-Y54 AromaticContact CE2-CD2 3.33Å; Y14-Y54 HydrophobicContact CE2-CD2 3.33Å; Y14-Y54 AromaticContact CE2-CE2 3.86Å; Y14-Y54 HydrophobicContact CE2-CE2 3.86Å; Y14-Y54 AromaticContact CE2-CG 3.74Å; Y14-Y54 HydrophobicContact CE2-CG 3.74Å; V15-Y54 CarbonylContact O-C 3.54Å; V15-Y54 WeakPolarHBondContact O-CA 3.39Å; V15-Y54 WeakPolarHBondContact O-CB 3.31Å; C43-Y54 HydrophobicContact CB-CD1 4.17Å; C43-Y54 HydrophobicContact CB-CD2 3.72Å; C43-Y54 HydrophobicContact CB-CE1 4.03Å; C43-Y54 HydrophobicContact CB-CE2 3.58Å; C43-Y54 HydrophobicContact CB-CG 4.05Å; C43-Y54 WeakPolarHBondContact CB-O 3.34Å; C43-Y54 PolarHBondContact N-O 3.46Å; C43-Y54 WeakPolarHBondContact SG-CE2 3.33Å; L52-Y54 HydrophobicContact CB-CD1 4.08Å; L52-Y54 HydrophobicContact CB-CE1 3.88Å; Y54-Y56 HydrophobicContact CD2-CE2 4.29Å; Y54-Y56 AromaticContact CE2-CE2 3.81Å; Y54-Y56 HydrophobicContact CE2-CE2 3.81Å; Y54-Y545 WeakPolarHBondContact OH-CE2 3.39Å; Y54-Y545 PolarHBondContact OH-OH 3Å
55	A	97.4	Very high	92.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	167.4	177.5	0	0	0	0	0	111.4	V15 L18 L27 R41 V42	V15-A55 PolarHBondContact N-O 2.99Å; V15-A55 PolarHBondContact O-N 2.86Å; L18-A55 HydrophobicContact CD1-CB 3.87Å; L27-A55 HydrophobicContact CD1-CB 3.41Å; L27-A55 VanDerWaalsContact CD1-CB 3.41Å; R41-A55 CarbonylContact O-C 3.57Å; R41-A55 WeakPolarHBondContact O-CA 3.09Å; R41-A55 WeakPolarHBondContact O-CB 3.36Å; V42-A55 HydrophobicContact CG2-CB 4.19Å
56	Y	96.3	Very high	93.1	Very high	66 Å²	66	60.2 Å²	60.2	26%	0.259	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	164.2	-64.9	-80.4	0	0	0	109.7	L13 Y14 I40 R41 Y54 S87	L13-Y56 WeakPolarHBondContact O-CA 3.49Å; Y14-Y56 AromaticContact CD2-CE1 3.84Å; Y14-Y56 HydrophobicContact CD2-CE1 3.84Å; I40-Y56 WeakPolarHBondContact CA-O 3.43Å; R41-Y56 PolarHBondContact N-O 2.96Å; R41-Y56 PolarHBondContact O-N 3.13Å; Y54-Y56 HydrophobicContact CD2-CE2 4.29Å; Y54-Y56 AromaticContact CE2-CE2 3.81Å; Y54-Y56 HydrophobicContact CE2-CE2 3.81Å; Y56-S87 WeakPolarHBondContact CD1-OG 3.38Å; Y56-S87 WeakPolarHBondContact CE1-OG 3.31Å
57	V	96.7	Very high	93.4	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.3	178.8	179.2	0	0	0	0	107.9	S12 L13 V15 F31 V37 I40 F59	S12-V57 WeakPolarHBondContact CA-O 3.44Å; L13-V57 PolarHBondContact N-O 3.23Å; L13-V57 PolarHBondContact O-N 2.9Å; V15-V57 HydrophobicContact CG2-CB 4.44Å; V15-V57 HydrophobicContact CG2-CG2 3.81Å; F31-V57 HydrophobicContact CB-CG1 4.22Å; F31-V57 HydrophobicContact CD2-CB 4.49Å; F31-V57 HydrophobicContact CD2-CG1 4.14Å; F31-V57 HydrophobicContact CD2-CG2 3.74Å; F31-V57 HydrophobicContact CE2-CG2 3.8Å; F31-V57 HydrophobicContact CG-CG1 4.08Å; F31-V57 HydrophobicContact CG-CG2 4.48Å; V37-V57 HydrophobicContact CG1-CG1 4Å; I40-V57 HydrophobicContact CD1-CG1 4.43Å; I40-V57 HydrophobicContact CD1-CG2 4.25Å; I40-V57 HydrophobicContact CG1-CG1 4.23Å; I40-V57 HydrophobicContact CG1-CG2 4.16Å; I40-V57 HydrophobicContact CG2-CG2 4.3Å; V57-F59 HydrophobicContact CG1-CD2 4.12Å; V57-F59 HydrophobicContact CG1-CE2 3.66Å; V57-F59 HydrophobicContact CG1-CZ 4.23Å
58	N	95.2	Very high	93.9	Very high	43 Å²	43	54.1 Å²	54.1	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.6	177.1	-61	-35.9	0	0	0	109.2	A11 S12 V37 V38 S39	A11-N58 WeakPolarHBondContact O-CA 3.41Å; S12-N58 VanDerWaalsContact CB-OD1 3.31Å; S12-N58 WeakPolarHBondContact CB-OD1 3.37Å; S12-N58 PolarHBondContact OG-OD1 2.76Å; V37-N58 CarbonylContact C-O 3.59Å; V38-N58 HydrophobicContact CB-CB 4.45Å; V38-N58 PolarHBondContact N-O 2.85Å; S39-N58 PolarHBondContact N-O 2.79Å; S39-N58 PolarHBondContact O-N 2.91Å; S39-N58 PolarHBondContact OG-ND2 2.99Å
59	F	95.9	Very high	94.1	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.044	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	166.7	172.7	-75.9	-89.4	0	0	0	111.7	A11 L13 F31 A34 P36 V37 V57 D64 A65 A68	A11-F59 HydrophobicContact CB-CB 4.09Å; A11-F59 PolarHBondContact O-N 3.06Å; L13-F59 HydrophobicContact CD1-CD2 4.32Å; L13-F59 HydrophobicContact CD1-CE2 3.81Å; F31-F59 HydrophobicContact CB-CZ 3.85Å; F31-F59 HydrophobicContact CD1-CE2 4.25Å; F31-F59 AromaticContact CD1-CZ 3.87Å; F31-F59 HydrophobicContact CD1-CZ 3.87Å; F31-F59 HydrophobicContact CG-CZ 4.2Å; F31-F59 WeakPolarHBondContact O-CE1 3.27Å; A34-F59 HydrophobicContact CB-CE1 4Å; A34-F59 HydrophobicContact CB-CZ 4.12Å; P36-F59 WeakPolarHBondContact O-CA 3.39Å; V37-F59 HydrophobicContact CG2-CD1 4.11Å; V37-F59 HydrophobicContact CG2-CE1 3.72Å; V37-F59 HydrophobicContact CG2-CZ 4.15Å; V57-F59 HydrophobicContact CG1-CD2 4.12Å; V57-F59 HydrophobicContact CG1-CE2 3.66Å; V57-F59 HydrophobicContact CG1-CZ 4.23Å; F59-D64 HydrophobicContact CB-CB 4.12Å; F59-D64 HydrophobicContact CD1-CB 3.63Å; F59-D64 HydrophobicContact CE1-CB 4.33Å; F59-D64 HydrophobicContact CG-CB 4.06Å; F59-A65 HydrophobicContact CB-CB 4.18Å; F59-A65 HydrophobicContact CD2-CB 3.71Å; F59-A65 HydrophobicContact CE2-CB 4.48Å; F59-A65 HydrophobicContact CG-CB 4.18Å; F59-A68 HydrophobicContact CE1-CB 4.42Å; F59-A68 HydrophobicContact CE2-CB 3.69Å; F59-A68 HydrophobicContact CZ-CB 3.51Å
60	Q	92.3	Very high	94.2	Very high	147 Å²	147	52.7 Å²	52.7	69%	0.687	26%	0.258	S	S	*	.	S	Bend	trans	-78.7	-33.5	173.6	-170	172.1	-1.4	0	0	112.4	P36 V38	P36-Q60 HydrophobicContact CB-CB 4.03Å; P36-Q60 PolarHBondContact O-N 2.78Å; V38-Q60 HydrophobicContact CG2-CB 3.96Å
61	S	92.6	Very high	94.4	Very high	52 Å²	52	49.1 Å²	49.1	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-121.6	146.5	176.6	-178	0	0	0	0	112.2	A11 A63 D64 A65	A11-S61 WeakPolarHBondContact CB-O 3.39Å; S61-A63 VanDerWaalsContact C-N 3.3Å; S61-A63 PolarHBondContact O-N 3.28Å; S61-A63 PolarHBondContact OG-N 2.9Å; S61-D64 WeakPolarHBondContact CB-OD2 3.45Å; S61-D64 WeakPolarHBondContact O-CB 3.31Å; S61-D64 PolarHBondContact O-N 2.85Å; S61-D64 VanDerWaalsContact O-N 3.14Å; S61-A65 PolarHBondContact O-N 2.95Å
62	H	93.7	Very high	94.5	Very high	75 Å²	75	48.7 Å²	48.7	35%	0.347	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-41.3	174.3	-177.7	92.1	0	0	0	111.6	Y8 D64 A65 E66 W86	Y8-H62 PolarHBondContact O-ND1 3.27Å; H62-D64 PolarHBondContact O-N 2.78Å; H62-A65 WeakPolarHBondContact O-CB 3.2Å; H62-A65 PolarHBondContact O-N 3.03Å; H62-A65 VanDerWaalsContact O-N 3.16Å; H62-E66 WeakPolarHBondContact O-CB 3.24Å; H62-E66 PolarHBondContact O-N 2.98Å; H62-W86 AromaticContact CE1-CH2 3.3Å; H62-W86 WeakPolarHBondContact CE1-CH2 3.3Å; H62-W86 AromaticContact CE1-CZ2 3.68Å; H62-W86 AromaticContact CE1-CZ3 3.78Å; H62-W86 AromaticContact ND1-CH2 3.63Å; H62-W86 AromaticContact ND1-CZ3 3.88Å; H62-W86 AromaticContact NE2-CH2 3.66Å; H62-W86 AromaticContact NE2-CZ2 3.8Å
63	A	94.2	Very high	94.5	Very high	41 Å²	41	46.1 Å²	46.1	34%	0.339	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-23.5	177.8	0	0	0	0	0	113.1	S61 R67	S61-A63 VanDerWaalsContact C-N 3.3Å; S61-A63 PolarHBondContact O-N 3.28Å; S61-A63 PolarHBondContact OG-N 2.9Å; A63-R67 VanDerWaalsContact O-CG 3.3Å; A63-R67 WeakPolarHBondContact O-CG 3.24Å; A63-R67 PolarHBondContact O-N 3.16Å; A63-R67 VanDerWaalsContact O-N 3.08Å; A63-R67 PolarHBondContact O-NH1 3.49Å
64	D	94.8	Very high	94.5	Very high	18 Å²	18	46.3 Å²	46.3	10%	0.096	23%	0.233	C	C	.	.	H	α-helix	trans	-79.3	-38.3	176.7	-53.2	-19.9	0	0	0	110.8	P36 F59 S61 H62 R67 A68	P36-D64 WeakPolarHBondContact CD-OD2 3.17Å; F59-D64 HydrophobicContact CB-CB 4.12Å; F59-D64 HydrophobicContact CD1-CB 3.63Å; F59-D64 HydrophobicContact CE1-CB 4.33Å; F59-D64 HydrophobicContact CG-CB 4.06Å; S61-D64 WeakPolarHBondContact CB-OD2 3.45Å; S61-D64 WeakPolarHBondContact O-CB 3.31Å; S61-D64 PolarHBondContact O-N 2.85Å; S61-D64 VanDerWaalsContact O-N 3.14Å; H62-D64 PolarHBondContact O-N 2.78Å; D64-R67 IonicContact OD1-CZ 2.7Å; D64-R67 IonicContact OD1-NH1 2.69Å; D64-R67 PolarHBondContact OD1-NH1 2.81Å; D64-R67 IonicContact OD1-NH2 2.61Å; D64-R67 PolarHBondContact OD1-NH2 3.44Å; D64-A68 VanDerWaalsContact O-CB 3.31Å; D64-A68 WeakPolarHBondContact O-CB 3.42Å; D64-A68 PolarHBondContact O-N 3.11Å
65	A	95.1	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-37.9	171.9	0	0	0	0	0	112	A11 L13 F59 S61 H62 A68 L69 W86	A11-A65 HydrophobicContact CB-CB 4.15Å; L13-A65 HydrophobicContact CD1-CB 4.32Å; L13-A65 WeakPolarHBondContact CD1-O 3.49Å; L13-A65 HydrophobicContact CD2-CB 4.06Å; L13-A65 HydrophobicContact CG-CB 4.05Å; F59-A65 HydrophobicContact CB-CB 4.18Å; F59-A65 HydrophobicContact CD2-CB 3.71Å; F59-A65 HydrophobicContact CE2-CB 4.48Å; F59-A65 HydrophobicContact CG-CB 4.18Å; S61-A65 PolarHBondContact O-N 2.95Å; H62-A65 WeakPolarHBondContact O-CB 3.2Å; H62-A65 PolarHBondContact O-N 3.03Å; H62-A65 VanDerWaalsContact O-N 3.16Å; A65-A68 PolarHBondContact O-N 2.81Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 PolarHBondContact O-N 2.97Å; A65-W86 HydrophobicContact CB-CH2 3.8Å; A65-W86 HydrophobicContact CB-CZ3 3.69Å
66	E	94.1	Very high	94.1	Very high	93 Å²	93	52.8 Å²	52.8	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-52.1	174.2	-170.3	170.9	-140.3	0	0	111	H62 A68 L69 D70 W86	H62-E66 WeakPolarHBondContact O-CB 3.24Å; H62-E66 PolarHBondContact O-N 2.98Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 2.67Å; E66-L69 WeakPolarHBondContact O-CB 3.37Å; E66-L69 PolarHBondContact O-N 2.99Å; E66-D70 PolarHBondContact O-N 2.82Å; E66-W86 HydrophobicContact CB-CH2 4.24Å; E66-W86 HydrophobicContact CB-CZ2 4.07Å; E66-W86 HydrophobicContact CG-CZ2 4.46Å
67	R	95.1	Very high	94	Very high	112 Å²	112	50.5 Å²	50.5	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-55.7	-41.3	172.9	-73.1	-169.2	-43.1	-81.7	12.6	112.7	A34 A63 D64 T71	A34-R67 PolarHBondContact O-NH2 2.81Å; A63-R67 VanDerWaalsContact O-CG 3.3Å; A63-R67 WeakPolarHBondContact O-CG 3.24Å; A63-R67 PolarHBondContact O-N 3.16Å; A63-R67 VanDerWaalsContact O-N 3.08Å; A63-R67 PolarHBondContact O-NH1 3.49Å; D64-R67 IonicContact OD1-CZ 2.7Å; D64-R67 IonicContact OD1-NH1 2.69Å; D64-R67 PolarHBondContact OD1-NH1 2.81Å; D64-R67 IonicContact OD1-NH2 2.61Å; D64-R67 PolarHBondContact OD1-NH2 3.44Å; R67-T71 WeakPolarHBondContact O-CB 3.32Å; R67-T71 WeakPolarHBondContact O-CG2 3.18Å; R67-T71 PolarHBondContact O-N 2.74Å; R67-T71 PolarHBondContact O-OG1 3.11Å
68	A	96.1	Very high	93.7	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-38.1	176.4	0	0	0	0	0	112.6	L13 F31 A34 F59 D64 A65 E66 M72 I84	L13-A68 HydrophobicContact CD1-CB 3.87Å; F31-A68 HydrophobicContact CD1-CB 3.99Å; F31-A68 HydrophobicContact CE1-CB 4.18Å; A34-A68 HydrophobicContact CB-CB 3.67Å; F59-A68 HydrophobicContact CE1-CB 4.42Å; F59-A68 HydrophobicContact CE2-CB 3.69Å; F59-A68 HydrophobicContact CZ-CB 3.51Å; D64-A68 VanDerWaalsContact O-CB 3.31Å; D64-A68 WeakPolarHBondContact O-CB 3.42Å; D64-A68 PolarHBondContact O-N 3.11Å; A65-A68 PolarHBondContact O-N 2.81Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 2.67Å; A68-M72 VanDerWaalsContact O-CB 3.31Å; A68-M72 WeakPolarHBondContact O-CB 3.43Å; A68-M72 PolarHBondContact O-N 2.83Å; A68-M72 VanDerWaalsContact O-N 3.14Å; A68-I84 WeakPolarHBondContact O-CD1 3.39Å
69	L	93.7	Very high	93.4	Very high	18 Å²	18	56 Å²	56	9%	0.094	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-47	175.9	-173.2	153	0	0	0	111.2	L13 A65 E66 N73 I84 W86	L13-L69 HydrophobicContact CD2-CB 4.39Å; L13-L69 HydrophobicContact CD2-CD1 4.19Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 PolarHBondContact O-N 2.97Å; E66-L69 WeakPolarHBondContact O-CB 3.37Å; E66-L69 PolarHBondContact O-N 2.99Å; L69-N73 WeakPolarHBondContact O-CB 3.5Å; L69-N73 PolarHBondContact O-N 3.05Å; L69-I84 HydrophobicContact CB-CG2 4.05Å; L69-I84 HydrophobicContact CD1-CG2 4.31Å; L69-I84 HydrophobicContact CG-CG2 4Å; L69-W86 HydrophobicContact CD1-CD2 4.35Å; L69-W86 HydrophobicContact CD1-CG 4.18Å
70	D	91.4	Very high	93.2	Very high	107 Å²	107	59 Å²	59	57%	0.572	31%	0.314	S	S	*	.	H	α-helix	trans	-71.9	-36.1	-177.3	-70.1	-25	0	0	0	113.5	E66	E66-D70 PolarHBondContact O-N 2.82Å
71	T	92.8	Very high	93.2	Very high	94 Å²	94	53.8 Å²	53.8	58%	0.577	29%	0.292	S	S	*	.	H	α-helix	trans	-93.7	-23.1	-173	61.9	0	0	0	0	114.8	R67	R67-T71 WeakPolarHBondContact O-CB 3.32Å; R67-T71 WeakPolarHBondContact O-CG2 3.18Å; R67-T71 PolarHBondContact O-N 2.74Å; R67-T71 PolarHBondContact O-OG1 3.11Å
72	M	94.4	Very high	93.3	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.039	28%	0.275	C	S	.	.	H	α-helix	trans	-116.8	3.4	-173.3	-51.6	-179.7	-177.3	0	0	114.3	K30 F31 T33 A34 A68 F74 D75 I84	K30-M72 HydrophobicContact CD-SD 4.44Å; K30-M72 HydrophobicContact CG-SD 4.09Å; K30-M72 WeakPolarHBondContact O-CE 3.24Å; F31-M72 HydrophobicContact CD1-SD 3.63Å; F31-M72 HydrophobicContact CE1-CB 4.46Å; F31-M72 HydrophobicContact CE1-SD 3.85Å; F31-M72 HydrophobicContact CG-SD 4.5Å; T33-M72 WeakPolarHBondContact OG1-CE 3.2Å; A34-M72 HydrophobicContact CB-CE 3.73Å; A68-M72 VanDerWaalsContact O-CB 3.31Å; A68-M72 WeakPolarHBondContact O-CB 3.43Å; A68-M72 PolarHBondContact O-N 2.83Å; A68-M72 VanDerWaalsContact O-N 3.14Å; M72-F74 PolarHBondContact O-N 3.24Å; M72-D75 WeakPolarHBondContact CA-OD2 3.28Å; M72-D75 WeakPolarHBondContact O-CB 3.35Å; M72-D75 PolarHBondContact O-N 2.63Å; M72-I84 VanDerWaalsContact C-CD1 3.47Å; M72-I84 HydrophobicContact CB-CD1 3.71Å; M72-I84 WeakPolarHBondContact O-CD1 3.37Å
73	N	93.5	Very high	93.3	Very high	24 Å²	24	49.7 Å²	49.7	13%	0.128	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	137.1	175.7	-146.2	-11.7	0	0	0	110.1	L69 D75 I84	L69-N73 WeakPolarHBondContact O-CB 3.5Å; L69-N73 PolarHBondContact O-N 3.05Å; N73-D75 PolarHBondContact O-N 3.15Å; N73-I84 HydrophobicContact CB-CB 4.46Å; N73-I84 PolarHBondContact ND2-O 3.26Å; N73-I84 PolarHBondContact OD1-N 2.96Å
74	F	93	Very high	93.4	Very high	24 Å²	24	47.8 Å²	47.8	11%	0.105	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	5.1	-175.4	-34	-53.6	0	0	0	115.6	M72 P81 M82 H112 K113 Y116 C128	M72-F74 PolarHBondContact O-N 3.24Å; F74-P81 HydrophobicContact CB-CB 4.33Å; F74-P81 WeakPolarHBondContact O-CA 3.1Å; F74-P81 WeakPolarHBondContact O-CB 3.48Å; F74-M82 WeakPolarHBondContact CA-O 3.38Å; F74-M82 PolarHBondContact N-O 3.09Å; F74-H112 HydrophobicContact CB-CB 3.93Å; F74-H112 HydrophobicContact CD1-CB 3.4Å; F74-H112 VanDerWaalsContact CD1-CB 3.4Å; F74-H112 AromaticContact CD1-CG 3.87Å; F74-H112 AromaticContact CD1-ND1 3.49Å; F74-H112 WeakPolarHBondContact CD1-ND1 3.4Å; F74-H112 HydrophobicContact CD2-CB 3.92Å; F74-H112 HydrophobicContact CE1-CB 3.89Å; F74-H112 AromaticContact CE1-ND1 3.99Å; F74-H112 HydrophobicContact CE2-CB 4.36Å; F74-H112 HydrophobicContact CG-CB 3.42Å; F74-H112 VanDerWaalsContact CG-CB 3.42Å; F74-H112 HydrophobicContact CZ-CB 4.36Å; F74-K113 HydrophobicContact CD2-CB 4.25Å; F74-Y116 HydrophobicContact CE2-CD2 4.09Å; F74-Y116 AromaticContact CE2-CG 3.88Å; F74-Y116 HydrophobicContact CE2-CG 3.88Å; F74-Y116 AromaticContact CZ-CD2 3.99Å; F74-Y116 HydrophobicContact CZ-CD2 3.99Å; F74-Y116 HydrophobicContact CZ-CG 4.23Å; F74-C128 HydrophobicContact CE1-CB 4.26Å; F74-C128 HydrophobicContact CZ-CB 3.84Å
75	D	93.9	Very high	93.3	Very high	52 Å²	52	48.8 Å²	48.8	28%	0.278	26%	0.255	S	S	.	.			trans	-61.7	141.3	175.3	-99	-28.5	0	0	0	112.6	K30 M72 N73 V77 P81 M82	K30-D75 WeakPolarHBondContact CE-OD2 3.42Å; K30-D75 IonicContact NZ-OD2 2.59Å; K30-D75 PolarHBondContact NZ-OD2 3.42Å; M72-D75 WeakPolarHBondContact CA-OD2 3.28Å; M72-D75 WeakPolarHBondContact O-CB 3.35Å; M72-D75 PolarHBondContact O-N 2.63Å; N73-D75 PolarHBondContact O-N 3.15Å; D75-V77 PolarHBondContact O-N 2.96Å; D75-P81 WeakPolarHBondContact O-CA 3.47Å; D75-M82 HydrophobicContact CB-CE 4.38Å; D75-M82 PolarHBondContact O-N 3.38Å
76	L	92.3	Very high	93.2	Very high	125 Å²	125	50.7 Å²	50.7	65%	0.654	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	116.8	-179.8	-60.6	-178.8	0	0	0	111.5	R80 P81	L76-R80 WeakPolarHBondContact CA-O 3.31Å; L76-P81 HydrophobicContact CD2-CB 4.1Å
77	V	93	Very high	93.1	Very high	18 Å²	18	47.1 Å²	47.1	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.4	165.7	174.3	0	0	0	0	108.6	V22 D75 G79 R80 M82	V22-V77 HydrophobicContact CG1-CG1 4.35Å; V22-V77 HydrophobicContact CG2-CG1 3.73Å; D75-V77 PolarHBondContact O-N 2.96Å; V77-G79 PolarHBondContact O-N 3.01Å; V77-R80 PolarHBondContact N-O 3.08Å; V77-R80 PolarHBondContact O-N 3.23Å; V77-R80 VanDerWaalsContact O-N 3.07Å; V77-M82 HydrophobicContact CB-CE 4.32Å; V77-M82 HydrophobicContact CG2-CE 3.35Å
78	M	90.7	Very high	92.5	Very high	106 Å²	106	44.4 Å²	44.4	52%	0.522	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	41.3	-172.8	-58.6	-61	-173.5	0	0	113	H19 V22 R80	H19-M78 HydrophobicContact CB-CB 3.78Å; V22-M78 HydrophobicContact CG2-CB 4.31Å; V22-M78 HydrophobicContact CG2-CG 3.97Å; M78-R80 VanDerWaalsContact C-N 3.33Å; M78-R80 PolarHBondContact O-N 3.23Å
79	G	89.8	Confident	91.9	Very high	53 Å²	53	53.5 Å²	53.5	55%	0.546	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	15.4	178.6	0	0	0	0	0	115.7	V77 N136	V77-G79 PolarHBondContact O-N 3.01Å; G79-N136 PolarHBondContact O-ND2 3.34Å
80	R	90.3	Very high	91.2	Very high	73 Å²	73	54.9 Å²	54.9	28%	0.275	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.9	172.3	-81.7	-167.7	159.1	175.8	-0.7	112.9	H19 L76 V77 M78 M82 N136	H19-R80 HydrophobicContact CB-CB 4.49Å; L76-R80 WeakPolarHBondContact CA-O 3.31Å; V77-R80 PolarHBondContact N-O 3.08Å; V77-R80 PolarHBondContact O-N 3.23Å; V77-R80 VanDerWaalsContact O-N 3.07Å; M78-R80 VanDerWaalsContact C-N 3.33Å; M78-R80 PolarHBondContact O-N 3.23Å; R80-M82 PolarHBondContact O-N 3.35Å; R80-N136 PolarHBondContact NE-OD1 2.93Å; R80-N136 PolarHBondContact NH2-OD1 3.11Å
81	P	92.6	Very high	90.6	Very high	36 Å²	36	50.9 Å²	50.9	23%	0.234	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	120.7	172.9	29.4	-33.3	0	0	0	109.6	F74 D75 L76	F74-P81 HydrophobicContact CB-CB 4.33Å; F74-P81 WeakPolarHBondContact O-CA 3.1Å; F74-P81 WeakPolarHBondContact O-CB 3.48Å; D75-P81 WeakPolarHBondContact O-CA 3.47Å; L76-P81 HydrophobicContact CD2-CB 4.1Å
82	M	94.8	Very high	90	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.257	C	S	.	.			trans	-71.8	154.5	172.9	73.2	173.9	81	0	0	111	V15 L18 K30 F31 F74 D75 V77 R80 I84	V15-M82 HydrophobicContact CG1-CB 4.06Å; V15-M82 HydrophobicContact CG1-CG 4.33Å; V15-M82 HydrophobicContact CG1-SD 3.69Å; L18-M82 HydrophobicContact CD2-CB 3.94Å; K30-M82 HydrophobicContact CG-CE 4.11Å; F31-M82 HydrophobicContact CE2-SD 4.2Å; F31-M82 HydrophobicContact CZ-SD 3.64Å; F74-M82 WeakPolarHBondContact CA-O 3.38Å; F74-M82 PolarHBondContact N-O 3.09Å; D75-M82 HydrophobicContact CB-CE 4.38Å; D75-M82 PolarHBondContact O-N 3.38Å; V77-M82 HydrophobicContact CB-CE 4.32Å; V77-M82 HydrophobicContact CG2-CE 3.35Å; R80-M82 PolarHBondContact O-N 3.35Å; M82-I84 HydrophobicContact CG-CD1 4.44Å; M82-I84 HydrophobicContact CG-CG1 4.08Å; M82-I84 HydrophobicContact SD-CD1 3.86Å; M82-I84 HydrophobicContact SD-CG1 3.87Å
83	R	94.8	Very high	89.2	Confident	41 Å²	41	53.1 Å²	53.1	16%	0.155	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106	174	-177.1	168	57.3	107.7	8	110.2	G16 D17 S127 C128	G16-R83 PolarHBondContact N-O 3.35Å; G16-R83 PolarHBondContact O-N 3.35Å; D17-R83 HydrophobicContact CB-CB 4.43Å; D17-R83 IonicContact OD2-CZ 2.66Å; D17-R83 IonicContact OD2-NE 2.65Å; D17-R83 PolarHBondContact OD2-NE 2.85Å; D17-R83 IonicContact OD2-NH2 3.68Å; D17-R83 PolarHBondContact OD2-NH2 2.9Å; R83-S127 PolarHBondContact NH1-OG 3.09Å; R83-C128 WeakPolarHBondContact CD-O 3.46Å
84	I	95.4	Very high	88.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.9	179.2	-52.7	178.7	0	0	0	109.5	L13 Y14 V15 F31 A68 L69 M72 N73 M82	L13-I84 HydrophobicContact CB-CG2 4.22Å; L13-I84 HydrophobicContact CD1-CG2 3.81Å; L13-I84 HydrophobicContact CD2-CG2 4.32Å; L13-I84 HydrophobicContact CG-CG2 4.35Å; Y14-I84 WeakPolarHBondContact O-CA 3.35Å; V15-I84 HydrophobicContact CG1-CG1 4.5Å; F31-I84 HydrophobicContact CE1-CD1 3.75Å; F31-I84 HydrophobicContact CZ-CD1 3.86Å; F31-I84 HydrophobicContact CZ-CG1 4.35Å; A68-I84 WeakPolarHBondContact O-CD1 3.39Å; L69-I84 HydrophobicContact CB-CG2 4.05Å; L69-I84 HydrophobicContact CD1-CG2 4.31Å; L69-I84 HydrophobicContact CG-CG2 4Å; M72-I84 VanDerWaalsContact C-CD1 3.47Å; M72-I84 HydrophobicContact CB-CD1 3.71Å; M72-I84 WeakPolarHBondContact O-CD1 3.37Å; N73-I84 HydrophobicContact CB-CB 4.46Å; N73-I84 PolarHBondContact ND2-O 3.26Å; N73-I84 PolarHBondContact OD1-N 2.96Å; M82-I84 HydrophobicContact CG-CD1 4.44Å; M82-I84 HydrophobicContact CG-CG1 4.08Å; M82-I84 HydrophobicContact SD-CD1 3.86Å; M82-I84 HydrophobicContact SD-CG1 3.87Å
85	M	93.4	Very high	87.6	Confident	39 Å²	39	64.7 Å²	64.7	19%	0.192	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	157.8	174.7	-55.9	175.3	57.7	0	0	109.4	L13 Y14 L126 S127	L13-M85 CarbonylContact C-O 3.53Å; L13-M85 WeakPolarHBondContact CA-O 3.39Å; Y14-M85 HydrophobicContact CD1-CB 4.31Å; Y14-M85 HydrophobicContact CD1-CG 4.33Å; Y14-M85 HydrophobicContact CD1-SD 4.07Å; Y14-M85 HydrophobicContact CE1-SD 4.34Å; Y14-M85 PolarHBondContact N-O 3.03Å; Y14-M85 PolarHBondContact O-N 3.44Å; M85-L126 WeakPolarHBondContact CE-O 3.34Å; M85-L126 WeakPolarHBondContact CG-O 3.46Å; M85-S127 PolarHBondContact SD-OG 2.84Å
86	W	92.9	Very high	86.9	Confident	39 Å²	39	65.2 Å²	65.2	15%	0.148	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	140.3	164.5	-71.5	110.7	0	0	0	111.3	Y8 L13 H62 A65 E66 L69 Q88	Y8-W86 HydrophobicContact CD1-CB 3.91Å; Y8-W86 HydrophobicContact CD1-CG 4.34Å; Y8-W86 HydrophobicContact CD2-CB 4.03Å; Y8-W86 AromaticContact CD2-CD1 3.84Å; Y8-W86 AromaticContact CD2-CD2 3.7Å; Y8-W86 HydrophobicContact CD2-CD2 3.7Å; Y8-W86 HydrophobicContact CD2-CE3 4.22Å; Y8-W86 AromaticContact CD2-CG 3.59Å; Y8-W86 HydrophobicContact CD2-CG 3.59Å; Y8-W86 HydrophobicContact CE1-CB 3.66Å; Y8-W86 HydrophobicContact CE1-CG 4.29Å; Y8-W86 HydrophobicContact CE2-CB 3.78Å; Y8-W86 AromaticContact CE2-CD1 3.49Å; Y8-W86 VanDerWaalsContact CE2-CD1 3.49Å; Y8-W86 HydrophobicContact CE2-CD2 4.14Å; Y8-W86 AromaticContact CE2-CG 3.52Å; Y8-W86 HydrophobicContact CE2-CG 3.52Å; Y8-W86 HydrophobicContact CG-CB 4.09Å; Y8-W86 HydrophobicContact CG-CD2 4.02Å; Y8-W86 HydrophobicContact CG-CE3 4.11Å; Y8-W86 HydrophobicContact CG-CG 4.02Å; Y8-W86 AromaticContact CZ-CG 3.89Å; L13-W86 HydrophobicContact CD2-CD2 4.18Å; L13-W86 HydrophobicContact CD2-CE3 3.75Å; L13-W86 HydrophobicContact CD2-CZ3 3.94Å; H62-W86 AromaticContact CE1-CH2 3.3Å; H62-W86 WeakPolarHBondContact CE1-CH2 3.3Å; H62-W86 AromaticContact CE1-CZ2 3.68Å; H62-W86 AromaticContact CE1-CZ3 3.78Å; H62-W86 AromaticContact ND1-CH2 3.63Å; H62-W86 AromaticContact ND1-CZ3 3.88Å; H62-W86 AromaticContact NE2-CH2 3.66Å; H62-W86 AromaticContact NE2-CZ2 3.8Å; A65-W86 HydrophobicContact CB-CH2 3.8Å; A65-W86 HydrophobicContact CB-CZ3 3.69Å; E66-W86 HydrophobicContact CB-CH2 4.24Å; E66-W86 HydrophobicContact CB-CZ2 4.07Å; E66-W86 HydrophobicContact CG-CZ2 4.46Å; L69-W86 HydrophobicContact CD1-CD2 4.35Å; L69-W86 HydrophobicContact CD1-CG 4.18Å; W86-Q88 PolarHBondContact O-N 3.22Å
87	S	90.9	Very high	86.3	Confident	19 Å²	19	60.8 Å²	60.8	13%	0.133	31%	0.308	C	S	.	.			trans	-78.1	81.6	-173.5	177.8	0	0	0	0	113.1	S12 Y56 R89	S12-S87 WeakPolarHBondContact O-CB 3.12Å; S12-S87 PolarHBondContact O-N 3.16Å; Y56-S87 WeakPolarHBondContact CD1-OG 3.38Å; Y56-S87 WeakPolarHBondContact CE1-OG 3.31Å; S87-R89 PolarHBondContact O-N 2.83Å
88	Q	83.8	Confident	85.9	Confident	55 Å²	55	63.4 Å²	63.4	26%	0.257	32%	0.324	S	S	.	.			trans	-70.7	116.6	176.5	-170.2	58.5	22.5	0	0	112.5	W86 L93 R94	W86-Q88 PolarHBondContact O-N 3.22Å; Q88-L93 HydrophobicContact CG-CB 3.97Å; Q88-R94 HydrophobicContact CB-CG 3.92Å; Q88-R94 HydrophobicContact CG-CG 3.93Å; Q88-R94 WeakPolarHBondContact O-CD 3.09Å; Q88-R94 PolarHBondContact O-NH1 2.91Å
89	R	82.1	Confident	85.9	Confident	191 Å²	191	58.5 Å²	58.5	72%	0.721	30%	0.301	S	S	*	.			trans	-81.8	-36.8	179.9	-73.9	-176.6	177.1	-93.4	-1.2	114.5	S87 P91 R94	S87-R89 PolarHBondContact O-N 2.83Å; R89-P91 WeakPolarHBondContact O-CD 3.42Å; R89-R94 PolarHBondContact O-NH1 2.81Å
90	D	79.4	Confident	86.1	Confident	46 Å²	46	57.7 Å²	57.7	25%	0.246	28%	0.284	C	S	.	.			trans	-66.5	123.7	178.4	172.6	17.4	0	0	0	111.9	S92 L93 R94	D90-S92 VanDerWaalsContact C-N 3.29Å; D90-S92 PolarHBondContact O-N 2.79Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.74Å; D90-S92 PolarHBondContact OD1-OG 3.26Å; D90-S92 PolarHBondContact OD2-OG 3.18Å; D90-L93 HydrophobicContact CB-CB 4.5Å; D90-L93 HydrophobicContact CB-CD1 4.38Å; D90-L93 WeakPolarHBondContact OD2-CD1 3.24Å; D90-L93 VanDerWaalsContact OD2-CG 3.3Å; D90-L93 WeakPolarHBondContact OD2-CG 3.25Å; D90-L93 PolarHBondContact OD2-N 3.31Å; D90-R94 PolarHBondContact O-N 3.47Å; D90-R94 PolarHBondContact O-NH1 3.46Å
91	P	79.1	Confident	86.3	Confident	24 Å²	24	54.2 Å²	54.2	16%	0.156	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-32.3	172.5	-20.5	32.5	0	0	0	114.5	R89 R94 R95	R89-P91 WeakPolarHBondContact O-CD 3.42Å; P91-R94 PolarHBondContact O-N 3.45Å; P91-R95 VanDerWaalsContact O-CB 3.26Å; P91-R95 WeakPolarHBondContact O-CB 3.32Å; P91-R95 VanDerWaalsContact O-CG 3.24Å; P91-R95 WeakPolarHBondContact O-CG 3.23Å; P91-R95 PolarHBondContact O-N 2.91Å; P91-R95 VanDerWaalsContact O-N 3.12Å
92	S	80.7	Confident	86.4	Confident	70 Å²	70	53.7 Å²	53.7	49%	0.49	27%	0.265	S	S	.	.	H	α-helix	trans	-65.7	-51	-175.8	94.2	0	0	0	0	110.8	D90 R94 R95 S96	D90-S92 VanDerWaalsContact C-N 3.29Å; D90-S92 PolarHBondContact O-N 2.79Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.74Å; D90-S92 PolarHBondContact OD1-OG 3.26Å; D90-S92 PolarHBondContact OD2-OG 3.18Å; S92-R94 PolarHBondContact O-N 3.15Å; S92-R95 CarbonylContact O-C 3.51Å; S92-R95 PolarHBondContact O-N 3.27Å; S92-S96 PolarHBondContact O-N 2.81Å
93	L	75.9	Confident	86.4	Confident	79 Å²	79	53.7 Å²	53.7	41%	0.414	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-20.9	177.3	-71.3	167.1	0	0	0	113.4	Q88 D90	Q88-L93 HydrophobicContact CG-CB 3.97Å; D90-L93 HydrophobicContact CB-CB 4.5Å; D90-L93 HydrophobicContact CB-CD1 4.38Å; D90-L93 WeakPolarHBondContact OD2-CD1 3.24Å; D90-L93 VanDerWaalsContact OD2-CG 3.3Å; D90-L93 WeakPolarHBondContact OD2-CG 3.25Å; D90-L93 PolarHBondContact OD2-N 3.31Å
94	R	78.3	Confident	86.3	Confident	130 Å²	130	57.3 Å²	57.3	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-82.6	-15.1	168.8	-67.7	-163.9	-52.9	-81.5	-6.4	114.4	Q88 R89 D90 P91 S92	Q88-R94 HydrophobicContact CB-CG 3.92Å; Q88-R94 HydrophobicContact CG-CG 3.93Å; Q88-R94 WeakPolarHBondContact O-CD 3.09Å; Q88-R94 PolarHBondContact O-NH1 2.91Å; R89-R94 PolarHBondContact O-NH1 2.81Å; D90-R94 PolarHBondContact O-N 3.47Å; D90-R94 PolarHBondContact O-NH1 3.46Å; P91-R94 PolarHBondContact O-N 3.45Å; S92-R94 PolarHBondContact O-N 3.15Å
95	R	76	Confident	86	Confident	161 Å²	161	61.2 Å²	61.2	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-119	-14.1	-170.5	-74	175.7	163.6	-165.8	-7.9	114.5	P91 S92 G97	P91-R95 VanDerWaalsContact O-CB 3.26Å; P91-R95 WeakPolarHBondContact O-CB 3.32Å; P91-R95 VanDerWaalsContact O-CG 3.24Å; P91-R95 WeakPolarHBondContact O-CG 3.23Å; P91-R95 PolarHBondContact O-N 2.91Å; P91-R95 VanDerWaalsContact O-N 3.12Å; S92-R95 CarbonylContact O-C 3.51Å; S92-R95 PolarHBondContact O-N 3.27Å; R95-G97 PolarHBondContact O-N 2.92Å; R95-G97 VanDerWaalsContact O-N 3.08Å
96	S	78.2	Confident	85.9	Confident	63 Å²	63	59.6 Å²	59.6	44%	0.441	30%	0.295	S	S	.	.	S	Bend	trans	-55.3	-27.4	-173.7	63.4	0	0	0	0	114.7	S92 V98	S92-S96 PolarHBondContact O-N 2.81Å; S96-V98 PolarHBondContact O-N 2.88Å
97	G	79.8	Confident	85.7	Confident	31 Å²	31	59.7 Å²	59.7	32%	0.32	30%	0.296	S	S	.	.			trans	76.7	-20.7	-176.5	0	0	0	0	0	114.1	R95 G99 N100	R95-G97 PolarHBondContact O-N 2.92Å; R95-G97 VanDerWaalsContact O-N 3.08Å; G97-G99 PolarHBondContact O-N 3.37Å; G97-N100 VanDerWaalsContact O-CB 3.26Å; G97-N100 WeakPolarHBondContact O-CB 3.38Å; G97-N100 PolarHBondContact O-N 2.87Å; G97-N100 PolarHBondContact O-ND2 3.28Å; G97-N100 VanDerWaalsContact O-ND2 3.08Å
98	V	85.6	Confident	85.6	Confident	74 Å²	74	66.7 Å²	66.7	45%	0.448	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	130.8	176.8	-176	0	0	0	0	110.6	S96 N100 H145 E149	S96-V98 PolarHBondContact O-N 2.88Å; V98-N100 VanDerWaalsContact C-N 3.3Å; V98-N100 PolarHBondContact O-N 2.84Å; V98-H145 PolarHBondContact O-CD2 3.3Å; V98-H145 PolarHBondContact O-NE2 3.37Å; V98-E149 HydrophobicContact CG1-CB 4Å
99	G	90.8	Very high	85.9	Confident	3 Å²	3	69 Å²	69	3%	0.031	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-4.6	-176.5	0	0	0	0	0	115.8	G97 F146	G97-G99 PolarHBondContact O-N 3.37Å; G99-F146 PolarHBondContact O-N 2.89Å
100	N	93.7	Very high	86.2	Confident	36 Å²	36	60.2 Å²	60.2	19%	0.193	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.7	177.6	-73.4	-80.8	0	0	0	112.5	G97 V98 V144 H145 F174	G97-N100 VanDerWaalsContact O-CB 3.26Å; G97-N100 WeakPolarHBondContact O-CB 3.38Å; G97-N100 PolarHBondContact O-N 2.87Å; G97-N100 PolarHBondContact O-ND2 3.28Å; G97-N100 VanDerWaalsContact O-ND2 3.08Å; V98-N100 VanDerWaalsContact C-N 3.3Å; V98-N100 PolarHBondContact O-N 2.84Å; N100-V144 WeakPolarHBondContact CA-O 3.5Å; N100-H145 PolarHBondContact ND2-NE2 3.4Å; N100-H145 VanDerWaalsContact OD1-CB 3.28Å; N100-H145 WeakPolarHBondContact OD1-CB 3.5Å; N100-H145 VanDerWaalsContact OD1-CG 3.3Å; N100-F174 HydrophobicContact CB-CB 3.58Å; N100-F174 HydrophobicContact CB-CD1 4.1Å; N100-F174 HydrophobicContact CB-CG 4.09Å; N100-F174 WeakPolarHBondContact O-CB 3.17Å; N100-F174 PolarHBondContact O-N 2.59Å
101	I	94.9	Very high	86.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.8	169	65	163	0	0	0	111.4	I103 F119 F143 V144 F146 A152 A155 I156 V171 G172	I101-I103 HydrophobicContact CD1-CD1 4.26Å; I101-I103 HydrophobicContact CD1-CG1 4.16Å; I101-F119 HydrophobicContact CD1-CD1 3.61Å; I101-F119 HydrophobicContact CD1-CE1 3.42Å; I101-F119 VanDerWaalsContact CD1-CE1 3.42Å; I101-F119 HydrophobicContact CD1-CZ 4.34Å; I101-F143 WeakPolarHBondContact O-CA 3.39Å; I101-V144 HydrophobicContact CD1-CB 4.04Å; I101-V144 HydrophobicContact CG1-CB 3.73Å; I101-V144 HydrophobicContact CG1-CG1 4.46Å; I101-V144 WeakPolarHBondContact CG1-O 3.35Å; I101-V144 PolarHBondContact N-O 3.06Å; I101-V144 PolarHBondContact O-N 3.03Å; I101-V144 VanDerWaalsContact O-N 3.17Å; I101-F146 HydrophobicContact CD1-CE2 3.84Å; I101-F146 HydrophobicContact CG1-CE2 4.23Å; I101-A152 HydrophobicContact CG2-CB 3.67Å; I101-A155 HydrophobicContact CD1-CB 4.29Å; I101-I156 HydrophobicContact CG2-CD1 3.89Å; I101-I156 HydrophobicContact CG2-CG1 3.94Å; I101-V171 HydrophobicContact CB-CG1 4.5Å; I101-V171 HydrophobicContact CD1-CG1 3.77Å; I101-G172 CarbonylContact C-O 3.5Å; I101-G172 WeakPolarHBondContact CA-O 3.38Å
102	F	94.1	Very high	87.3	Confident	25 Å²	25	61.8 Å²	61.8	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.6	175	169.4	-115.3	0	0	0	109.2	K104 Y141 F143 Y170 G172 F174	F102-K104 HydrophobicContact CE1-CB 3.87Å; F102-K104 HydrophobicContact CE1-CD 4.23Å; F102-K104 HydrophobicContact CE1-CG 4.36Å; F102-K104 HydrophobicContact CZ-CB 3.89Å; F102-K104 HydrophobicContact CZ-CD 4.38Å; F102-K104 HydrophobicContact CZ-CG 4.18Å; F102-Y141 AromaticContact CE2-CD2 3.73Å; F102-Y141 HydrophobicContact CE2-CD2 3.73Å; F102-Y141 HydrophobicContact CE2-CG 4.11Å; F102-F143 HydrophobicContact CB-CD1 4.48Å; F102-F143 AromaticContact CD2-CD1 3.91Å; F102-F143 HydrophobicContact CD2-CD1 3.91Å; F102-F143 AromaticContact CD2-CE1 3.47Å; F102-F143 HydrophobicContact CD2-CE1 3.47Å; F102-F143 VanDerWaalsContact CD2-CE1 3.47Å; F102-F143 HydrophobicContact CD2-CZ 4.19Å; F102-F143 HydrophobicContact CE2-CE1 4.08Å; F102-F143 HydrophobicContact CE2-CZ 4.37Å; F102-F143 HydrophobicContact CG-CE1 4.43Å; F102-Y170 HydrophobicContact CD1-CE1 4.46Å; F102-G172 PolarHBondContact N-O 3.16Å; F102-G172 PolarHBondContact O-N 2.89Å; F102-G172 VanDerWaalsContact O-N 3.1Å; F102-F174 HydrophobicContact CB-CD2 4.49Å
103	I	93.9	Very high	87.7	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.5	-178.7	-51	162.1	0	0	0	108.5	I101 L106 I115 F119 Y141 G142 V144 Y170 V171	I101-I103 HydrophobicContact CD1-CD1 4.26Å; I101-I103 HydrophobicContact CD1-CG1 4.16Å; I103-L106 HydrophobicContact CB-CD1 4.36Å; I103-L106 HydrophobicContact CG2-CD1 4.03Å; I103-L106 HydrophobicContact CG2-CD2 3.75Å; I103-L106 HydrophobicContact CG2-CG 3.86Å; I103-I115 HydrophobicContact CD1-CG2 3.82Å; I103-F119 HydrophobicContact CD1-CD2 4.08Å; I103-F119 HydrophobicContact CD1-CE1 4.06Å; I103-F119 HydrophobicContact CD1-CE2 3.54Å; I103-F119 HydrophobicContact CD1-CZ 3.52Å; I103-F119 HydrophobicContact CG1-CE1 4.47Å; I103-F119 HydrophobicContact CG1-CE2 4.43Å; I103-F119 HydrophobicContact CG1-CZ 3.98Å; I103-Y141 CarbonylContact O-C 3.5Å; I103-Y141 WeakPolarHBondContact O-CA 3.42Å; I103-Y141 VanDerWaalsContact O-CB 3.26Å; I103-Y141 WeakPolarHBondContact O-CB 3.28Å; I103-G142 PolarHBondContact N-O 2.89Å; I103-G142 PolarHBondContact O-N 2.98Å; I103-V144 HydrophobicContact CD1-CB 4.49Å; I103-V144 HydrophobicContact CD1-CG2 3.72Å; I103-Y170 CarbonylContact C-O 3.55Å; I103-Y170 WeakPolarHBondContact CA-O 3.49Å; I103-V171 HydrophobicContact CG1-CG1 4.35Å; I103-V171 HydrophobicContact CG2-CG2 4.3Å
104	K	92.5	Very high	88.4	Confident	117 Å²	117	63.8 Å²	63.8	51%	0.509	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.9	-174.9	-172.9	-164	170.5	-158.9	0	110.4	F102 L106 Y170	F102-K104 HydrophobicContact CE1-CB 3.87Å; F102-K104 HydrophobicContact CE1-CD 4.23Å; F102-K104 HydrophobicContact CE1-CG 4.36Å; F102-K104 HydrophobicContact CZ-CB 3.89Å; F102-K104 HydrophobicContact CZ-CD 4.38Å; F102-K104 HydrophobicContact CZ-CG 4.18Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-Y170 HydrophobicContact CB-CD1 4.19Å; K104-Y170 PolarHBondContact N-O 3Å; K104-Y170 PolarHBondContact O-N 3.42Å
105	N	90.9	Very high	89.1	Confident	83 Å²	83	57.7 Å²	57.7	44%	0.444	29%	0.288	S	S	.	.	S	Bend	trans	68.6	25	-176.3	-157.3	42.6	0	0	0	113.5	G140 Q168	N105-G140 PolarHBondContact N-O 3.21Å; N105-Q168 PolarHBondContact ND2-O 3.19Å
106	L	90.9	Very high	89.9	Confident	6 Å²	6	52 Å²	52	3%	0.031	27%	0.267	C	S	.	.			trans	-62.5	142.5	168.6	-66.7	165.6	0	0	0	109.7	I103 K104 I110 I115 G140 M164 V169	I103-L106 HydrophobicContact CB-CD1 4.36Å; I103-L106 HydrophobicContact CG2-CD1 4.03Å; I103-L106 HydrophobicContact CG2-CD2 3.75Å; I103-L106 HydrophobicContact CG2-CG 3.86Å; K104-L106 VanDerWaalsContact C-N 3.26Å; L106-I110 HydrophobicContact CB-CD1 4.14Å; L106-I110 HydrophobicContact CD2-CD1 3.76Å; L106-I110 HydrophobicContact CD2-CG2 4.46Å; L106-I115 HydrophobicContact CD1-CD1 3.59Å; L106-I115 HydrophobicContact CD2-CD1 4.1Å; L106-G140 PolarHBondContact N-O 3.39Å; L106-G140 VanDerWaalsContact N-O 3.1Å; L106-G140 VanDerWaalsContact O-CA 3.29Å; L106-G140 WeakPolarHBondContact O-CA 3.21Å; L106-M164 HydrophobicContact CD2-SD 4.32Å; L106-V169 HydrophobicContact CD2-CG1 4.05Å
107	E	88.3	Confident	90.5	Very high	40 Å²	40	52.8 Å²	52.8	19%	0.187	27%	0.266	C	S	.	.			trans	-63.7	157.9	166.3	-69.4	-132.8	107	0	0	111.7	N109 I110 N165 K167	E107-N109 VanDerWaalsContact C-N 3.31Å; E107-N109 WeakPolarHBondContact CB-OD1 3.3Å; E107-N109 PolarHBondContact O-N 3.24Å; E107-N109 PolarHBondContact OE2-ND2 3.11Å; E107-N109 PolarHBondContact OE2-OD1 2.83Å; E107-I110 HydrophobicContact CB-CD1 4.06Å; E107-I110 HydrophobicContact CB-CG1 3.89Å; E107-I110 PolarHBondContact O-N 3.5Å; E107-N165 VanDerWaalsContact CD-O 3.28Å; E107-N165 HydrophobicContact CG-CB 3.98Å; E107-N165 VanDerWaalsContact OE2-CB 3.32Å; E107-N165 WeakPolarHBondContact OE2-CB 3.41Å; E107-K167 HydrophobicContact CG-CB 4.42Å; E107-K167 HydrophobicContact CG-CD 3.98Å; E107-K167 HydrophobicContact CG-CG 4.05Å; E107-K167 IonicContact OE1-NZ 3.95Å; E107-K167 PolarHBondContact OE1-NZ 3.03Å
108	K	89.6	Confident	91	Very high	166 Å²	166	53.5 Å²	53.5	72%	0.722	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.6	-176.9	-65.4	-174.9	178.7	177.6	0	114.3
109	N	89.8	Confident	91.4	Very high	103 Å²	103	50 Å²	50	55%	0.551	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-15.2	172.8	54.8	11.4	0	0	0	112.5	E107 D111	E107-N109 VanDerWaalsContact C-N 3.31Å; E107-N109 WeakPolarHBondContact CB-OD1 3.3Å; E107-N109 PolarHBondContact O-N 3.24Å; E107-N109 PolarHBondContact OE2-ND2 3.11Å; E107-N109 PolarHBondContact OE2-OD1 2.83Å; N109-D111 PolarHBondContact O-N 3.46Å
110	I	88.5	Confident	91.6	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.036	26%	0.258	C	S	.	.			trans	-69.1	126.4	179.2	-54.9	-172.2	0	0	0	108.7	L106 E107 M114 I115 I130 M164	L106-I110 HydrophobicContact CB-CD1 4.14Å; L106-I110 HydrophobicContact CD2-CD1 3.76Å; L106-I110 HydrophobicContact CD2-CG2 4.46Å; E107-I110 HydrophobicContact CB-CD1 4.06Å; E107-I110 HydrophobicContact CB-CG1 3.89Å; E107-I110 PolarHBondContact O-N 3.5Å; I110-M114 HydrophobicContact CB-CE 3.95Å; I110-M114 HydrophobicContact CD1-CE 4.24Å; I110-M114 HydrophobicContact CG1-CE 3.61Å; I110-M114 HydrophobicContact CG2-CE 3.77Å; I110-I115 HydrophobicContact CG2-CD1 3.9Å; I110-I115 HydrophobicContact CG2-CG1 3.54Å; I110-I130 HydrophobicContact CG2-CD1 4.22Å; I110-I130 WeakPolarHBondContact O-CD1 3.47Å; I110-M164 HydrophobicContact CD1-CB 4.5Å
111	D	89.2	Confident	91.6	Very high	85 Å²	85	56.2 Å²	56.2	46%	0.455	28%	0.28	S	S	.	.			trans	-99.3	175.6	175.8	77.7	-18.5	0	0	0	111.5	N109 K113 M114 I130	N109-D111 PolarHBondContact O-N 3.46Å; D111-K113 VanDerWaalsContact C-N 3.26Å; D111-K113 PolarHBondContact O-N 3.31Å; D111-K113 PolarHBondContact OD1-N 3.12Å; D111-M114 WeakPolarHBondContact OD1-CB 3.41Å; D111-M114 PolarHBondContact OD1-N 3.44Å; D111-I130 VanDerWaalsContact C-CD1 3.42Å; D111-I130 WeakPolarHBondContact O-CD1 3.41Å
112	H	91.4	Very high	91.6	Very high	18 Å²	18	57.8 Å²	57.8	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-33.7	-178.4	-70.1	-153.6	0	0	0	111.9	F74 Y116 I130	F74-H112 HydrophobicContact CB-CB 3.93Å; F74-H112 HydrophobicContact CD1-CB 3.4Å; F74-H112 VanDerWaalsContact CD1-CB 3.4Å; F74-H112 AromaticContact CD1-CG 3.87Å; F74-H112 AromaticContact CD1-ND1 3.49Å; F74-H112 WeakPolarHBondContact CD1-ND1 3.4Å; F74-H112 HydrophobicContact CD2-CB 3.92Å; F74-H112 HydrophobicContact CE1-CB 3.89Å; F74-H112 AromaticContact CE1-ND1 3.99Å; F74-H112 HydrophobicContact CE2-CB 4.36Å; F74-H112 HydrophobicContact CG-CB 3.42Å; F74-H112 VanDerWaalsContact CG-CB 3.42Å; F74-H112 HydrophobicContact CZ-CB 4.36Å; H112-Y116 PolarHBondContact O-N 3.48Å; H112-I130 PolarHBondContact NE2-N 2.82Å
113	K	90.4	Very high	91.5	Very high	117 Å²	117	57.6 Å²	57.6	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-69.7	-48.5	-176.2	-179.9	165.6	-179.1	169.9	0	111.7	F74 D111 I115 Y116 D117	F74-K113 HydrophobicContact CD2-CB 4.25Å; D111-K113 VanDerWaalsContact C-N 3.26Å; D111-K113 PolarHBondContact O-N 3.31Å; D111-K113 PolarHBondContact OD1-N 3.12Å; K113-I115 PolarHBondContact O-N 2.97Å; K113-Y116 CarbonylContact O-C 3.59Å; K113-Y116 WeakPolarHBondContact O-CA 3.37Å; K113-Y116 WeakPolarHBondContact O-CB 3.4Å; K113-Y116 PolarHBondContact O-N 2.9Å; K113-D117 WeakPolarHBondContact CE-OD2 3.39Å; K113-D117 VanDerWaalsContact CG-OD2 3.27Å; K113-D117 WeakPolarHBondContact CG-OD2 3.24Å; K113-D117 WeakPolarHBondContact O-CB 3.39Å; K113-D117 VanDerWaalsContact O-CG 3.27Å; K113-D117 PolarHBondContact O-N 2.96Å
114	M	90.3	Very high	91.4	Very high	74 Å²	74	61.1 Å²	61.1	37%	0.365	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-30.2	179.1	-172.2	167.5	63.8	0	0	112.7	I110 D111 T118	I110-M114 HydrophobicContact CB-CE 3.95Å; I110-M114 HydrophobicContact CD1-CE 4.24Å; I110-M114 HydrophobicContact CG1-CE 3.61Å; I110-M114 HydrophobicContact CG2-CE 3.77Å; D111-M114 WeakPolarHBondContact OD1-CB 3.41Å; D111-M114 PolarHBondContact OD1-N 3.44Å; M114-T118 WeakPolarHBondContact O-CB 3.29Å; M114-T118 PolarHBondContact O-N 3.24Å; M114-T118 VanDerWaalsContact O-N 3.13Å; M114-T118 PolarHBondContact O-OG1 3.17Å
115	I	91.8	Very high	91.4	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-47.4	170.3	-60	-177.5	0	0	0	110.8	I103 L106 I110 K113 D117 T118 F119 I130 V144	I103-I115 HydrophobicContact CD1-CG2 3.82Å; L106-I115 HydrophobicContact CD1-CD1 3.59Å; L106-I115 HydrophobicContact CD2-CD1 4.1Å; I110-I115 HydrophobicContact CG2-CD1 3.9Å; I110-I115 HydrophobicContact CG2-CG1 3.54Å; K113-I115 PolarHBondContact O-N 2.97Å; I115-D117 PolarHBondContact O-N 2.93Å; I115-T118 PolarHBondContact O-N 3.28Å; I115-F119 HydrophobicContact CG2-CD2 3.73Å; I115-F119 HydrophobicContact CG2-CE2 4.15Å; I115-F119 WeakPolarHBondContact O-CB 3.21Å; I115-F119 WeakPolarHBondContact O-CD2 3.34Å; I115-F119 PolarHBondContact O-N 3.29Å; I115-I130 HydrophobicContact CD1-CD1 3.59Å; I115-I130 HydrophobicContact CD1-CG1 3.54Å; I115-I130 HydrophobicContact CG1-CD1 4.42Å; I115-V144 HydrophobicContact CG2-CG2 3.68Å
116	Y	92.8	Very high	91.4	Very high	43 Å²	43	53.9 Å²	53.9	17%	0.169	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-50.5	177.6	-173	-94.3	0	0	0	111.6	F74 H112 K113 T118 F119 S120 I125 C128	F74-Y116 HydrophobicContact CE2-CD2 4.09Å; F74-Y116 AromaticContact CE2-CG 3.88Å; F74-Y116 HydrophobicContact CE2-CG 3.88Å; F74-Y116 AromaticContact CZ-CD2 3.99Å; F74-Y116 HydrophobicContact CZ-CD2 3.99Å; F74-Y116 HydrophobicContact CZ-CG 4.23Å; H112-Y116 PolarHBondContact O-N 3.48Å; K113-Y116 CarbonylContact O-C 3.59Å; K113-Y116 WeakPolarHBondContact O-CA 3.37Å; K113-Y116 WeakPolarHBondContact O-CB 3.4Å; K113-Y116 PolarHBondContact O-N 2.9Å; Y116-T118 VanDerWaalsContact C-N 3.29Å; Y116-T118 PolarHBondContact O-N 3Å; Y116-F119 PolarHBondContact O-N 3.19Å; Y116-S120 VanDerWaalsContact O-CB 3.29Å; Y116-S120 WeakPolarHBondContact O-CB 3.44Å; Y116-S120 PolarHBondContact O-N 2.95Å; Y116-S120 PolarHBondContact O-OG 3.42Å; Y116-I125 HydrophobicContact CD2-CB 4.11Å; Y116-I125 HydrophobicContact CD2-CD1 3.99Å; Y116-I125 HydrophobicContact CD2-CG2 3.84Å; Y116-I125 HydrophobicContact CE2-CB 3.7Å; Y116-I125 HydrophobicContact CE2-CD1 4.31Å; Y116-I125 HydrophobicContact CE2-CG2 3.73Å; Y116-C128 HydrophobicContact CD2-CB 4.07Å
117	D	91.7	Very high	91.4	Very high	78 Å²	78	54 Å²	54	42%	0.417	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-29.3	-179.3	-63.9	-5.6	0	0	0	112.6	K113 I115 S120 N121	K113-D117 WeakPolarHBondContact CE-OD2 3.39Å; K113-D117 VanDerWaalsContact CG-OD2 3.27Å; K113-D117 WeakPolarHBondContact CG-OD2 3.24Å; K113-D117 WeakPolarHBondContact O-CB 3.39Å; K113-D117 VanDerWaalsContact O-CG 3.27Å; K113-D117 PolarHBondContact O-N 2.96Å; I115-D117 PolarHBondContact O-N 2.93Å; D117-S120 PolarHBondContact O-OG 3.04Å; D117-N121 PolarHBondContact O-ND2 2.9Å
118	T	90.6	Very high	91.7	Very high	46 Å²	46	52.1 Å²	52.1	28%	0.282	27%	0.27	S	S	.	.	H	α-helix	trans	-77.6	-46.8	172.5	-52.1	0	0	0	0	111.6	M114 I115 Y116 N121 M164	M114-T118 WeakPolarHBondContact O-CB 3.29Å; M114-T118 PolarHBondContact O-N 3.24Å; M114-T118 VanDerWaalsContact O-N 3.13Å; M114-T118 PolarHBondContact O-OG1 3.17Å; I115-T118 PolarHBondContact O-N 3.28Å; Y116-T118 VanDerWaalsContact C-N 3.29Å; Y116-T118 PolarHBondContact O-N 3Å; T118-N121 PolarHBondContact O-ND2 3.42Å; T118-M164 HydrophobicContact CG2-CE 3.59Å
119	F	93.6	Very high	91.8	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-82	-21.5	-169.7	-81.5	-94.1	0	0	0	113.6	I101 I103 I115 Y116 N121 F122 I125 V144 F146 A155 V159 M164 V171	I101-F119 HydrophobicContact CD1-CD1 3.61Å; I101-F119 HydrophobicContact CD1-CE1 3.42Å; I101-F119 VanDerWaalsContact CD1-CE1 3.42Å; I101-F119 HydrophobicContact CD1-CZ 4.34Å; I103-F119 HydrophobicContact CD1-CD2 4.08Å; I103-F119 HydrophobicContact CD1-CE1 4.06Å; I103-F119 HydrophobicContact CD1-CE2 3.54Å; I103-F119 HydrophobicContact CD1-CZ 3.52Å; I103-F119 HydrophobicContact CG1-CE1 4.47Å; I103-F119 HydrophobicContact CG1-CE2 4.43Å; I103-F119 HydrophobicContact CG1-CZ 3.98Å; I115-F119 HydrophobicContact CG2-CD2 3.73Å; I115-F119 HydrophobicContact CG2-CE2 4.15Å; I115-F119 WeakPolarHBondContact O-CB 3.21Å; I115-F119 WeakPolarHBondContact O-CD2 3.34Å; I115-F119 PolarHBondContact O-N 3.29Å; Y116-F119 PolarHBondContact O-N 3.19Å; F119-N121 PolarHBondContact O-N 3.22Å; F119-N121 VanDerWaalsContact O-N 3.17Å; F119-F122 HydrophobicContact CD1-CD2 4.15Å; F119-F122 HydrophobicContact CD1-CE2 4.32Å; F119-F122 VanDerWaalsContact O-CD2 3.29Å; F119-F122 WeakPolarHBondContact O-CD2 3.24Å; F119-F122 PolarHBondContact O-N 3.28Å; F119-I125 HydrophobicContact CB-CD1 3.78Å; F119-V144 HydrophobicContact CB-CG1 4.36Å; F119-V144 HydrophobicContact CG-CG2 4.45Å; F119-F146 HydrophobicContact CB-CZ 4.01Å; F119-F146 HydrophobicContact CD1-CE2 4.27Å; F119-F146 HydrophobicContact CD1-CZ 4.08Å; F119-F146 VanDerWaalsContact O-CE1 3.26Å; F119-F146 WeakPolarHBondContact O-CE1 3.18Å; F119-F146 WeakPolarHBondContact O-CZ 3.27Å; F119-A155 HydrophobicContact CD1-CB 3.9Å; F119-A155 HydrophobicContact CE1-CB 4.07Å; F119-V159 HydrophobicContact CE1-CB 4.25Å; F119-V159 HydrophobicContact CE1-CG1 4.32Å; F119-V159 HydrophobicContact CE1-CG2 4.21Å; F119-V159 HydrophobicContact CE2-CG1 4.31Å; F119-V159 HydrophobicContact CZ-CB 4.13Å; F119-V159 HydrophobicContact CZ-CG1 3.7Å; F119-V159 HydrophobicContact CZ-CG2 4.34Å; F119-M164 HydrophobicContact CE2-CE 4.18Å; F119-V171 HydrophobicContact CE1-CG1 4.15Å; F119-V171 HydrophobicContact CZ-CG1 4.43Å; F119-V171 HydrophobicContact CZ-CG2 4.08Å
120	S	93.9	Very high	92	Very high	49 Å²	49	42.2 Å²	42.2	34%	0.343	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-57.3	-28.8	175.8	58.9	0	0	0	0	112.9	Y116 D117 F122 G123	Y116-S120 VanDerWaalsContact O-CB 3.29Å; Y116-S120 WeakPolarHBondContact O-CB 3.44Å; Y116-S120 PolarHBondContact O-N 2.95Å; Y116-S120 PolarHBondContact O-OG 3.42Å; D117-S120 PolarHBondContact O-OG 3.04Å; S120-F122 PolarHBondContact O-N 3.49Å; S120-G123 PolarHBondContact O-N 2.91Å
121	N	94.1	Very high	92.2	Very high	122 Å²	122	42.5 Å²	42.5	65%	0.652	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-60.8	-13.4	175.6	-59.2	-73.7	0	0	0	114.5	D117 T118 F119	D117-N121 PolarHBondContact O-ND2 2.9Å; T118-N121 PolarHBondContact O-ND2 3.42Å; F119-N121 PolarHBondContact O-N 3.22Å; F119-N121 VanDerWaalsContact O-N 3.17Å
122	F	94.5	Very high	92.2	Very high	32 Å²	32	40.8 Å²	40.8	14%	0.14	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-100.5	-13	175.9	-48.9	-68.2	0	0	0	113.3	F119 S120 F146 S151 A155 R158 V159	F119-F122 HydrophobicContact CD1-CD2 4.15Å; F119-F122 HydrophobicContact CD1-CE2 4.32Å; F119-F122 VanDerWaalsContact O-CD2 3.29Å; F119-F122 WeakPolarHBondContact O-CD2 3.24Å; F119-F122 PolarHBondContact O-N 3.28Å; S120-F122 PolarHBondContact O-N 3.49Å; F122-F146 HydrophobicContact CB-CE1 4.13Å; F122-F146 HydrophobicContact CB-CZ 4.07Å; F122-F146 HydrophobicContact CD2-CZ 4.44Å; F122-S151 WeakPolarHBondContact O-CB 3.39Å; F122-S151 PolarHBondContact O-OG 2.69Å; F122-A155 HydrophobicContact CB-CB 3.89Å; F122-A155 HydrophobicContact CD2-CB 3.62Å; F122-A155 HydrophobicContact CE2-CB 4.4Å; F122-A155 HydrophobicContact CG-CB 3.76Å; F122-R158 HydrophobicContact CE1-CB 3.89Å; F122-R158 HydrophobicContact CE1-CG 4.38Å; F122-R158 HydrophobicContact CZ-CB 4.38Å; F122-V159 HydrophobicContact CD2-CG2 4.4Å; F122-V159 HydrophobicContact CE1-CG2 4.3Å; F122-V159 HydrophobicContact CE2-CG2 3.38Å; F122-V159 HydrophobicContact CZ-CG2 3.32Å
123	G	92.5	Very high	92	Very high	22 Å²	22	42.6 Å²	42.6	23%	0.227	23%	0.228	C	C	.	.	S	Bend	trans	150	-180	176.5	0	0	0	0	0	113.9	S120 I125 F146 S151	S120-G123 PolarHBondContact O-N 2.91Å; G123-I125 PolarHBondContact O-N 2.94Å; G123-F146 WeakPolarHBondContact O-CE1 3.48Å; G123-S151 WeakPolarHBondContact CA-OG 3.37Å
124	N	92.3	Very high	91.8	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	25%	0.247	S	C	.	.			trans	-62.2	129.6	-177.7	-171.8	17.5	0	0	0	112.2	F146 E147	N124-F146 CarbonylContact O-C 3.53Å; N124-F146 WeakPolarHBondContact O-CA 3.28Å; N124-E147 HydrophobicContact CB-CB 4.17Å; N124-E147 PolarHBondContact ND2-OE2 3.18Å; N124-E147 PolarHBondContact O-N 2.86Å
125	I	93	Very high	91.5	Very high	10 Å²	10	47 Å²	47	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	109.8	-179.5	-66.8	175.5	0	0	0	109.4	Y116 F119 G123 S127 C128 V144 H145 F146	Y116-I125 HydrophobicContact CD2-CB 4.11Å; Y116-I125 HydrophobicContact CD2-CD1 3.99Å; Y116-I125 HydrophobicContact CD2-CG2 3.84Å; Y116-I125 HydrophobicContact CE2-CB 3.7Å; Y116-I125 HydrophobicContact CE2-CD1 4.31Å; Y116-I125 HydrophobicContact CE2-CG2 3.73Å; F119-I125 HydrophobicContact CB-CD1 3.78Å; G123-I125 PolarHBondContact O-N 2.94Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 VanDerWaalsContact CG2-O 3.27Å; I125-S127 WeakPolarHBondContact CG2-O 3.34Å; I125-C128 HydrophobicContact CG2-CB 4.29Å; I125-V144 HydrophobicContact CD1-CG1 3.82Å; I125-V144 HydrophobicContact CG1-CG1 3.86Å; I125-V144 HydrophobicContact CG2-CG1 3.97Å; I125-H145 CarbonylContact C-O 3.55Å; I125-H145 WeakPolarHBondContact CA-O 3.46Å; I125-F146 HydrophobicContact CD1-CE1 4.36Å; I125-F146 HydrophobicContact CG1-CD1 4Å; I125-F146 HydrophobicContact CG1-CE1 3.76Å; I125-F146 HydrophobicContact CG1-CZ 4.39Å
126	L	90.7	Very high	91.1	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.199	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-25.8	171	-59	-177.9	0	0	0	112.5	M85 H145 E147	M85-L126 WeakPolarHBondContact CE-O 3.34Å; M85-L126 WeakPolarHBondContact CG-O 3.46Å; L126-H145 PolarHBondContact N-O 2.91Å; L126-E147 HydrophobicContact CD1-CB 4.35Å; L126-E147 HydrophobicContact CD2-CB 4.16Å; L126-E147 HydrophobicContact CD2-CG 4.36Å; L126-E147 HydrophobicContact CG-CB 4.1Å
127	S	91.5	Very high	90.8	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.063	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	139.9	177	-143.4	0	0	0	0	113.8	R83 M85 I125 V144 H145	R83-S127 PolarHBondContact NH1-OG 3.09Å; M85-S127 PolarHBondContact SD-OG 2.84Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 VanDerWaalsContact CG2-O 3.27Å; I125-S127 WeakPolarHBondContact CG2-O 3.34Å; S127-V144 CarbonylContact O-C 3.46Å; S127-V144 WeakPolarHBondContact O-CA 3.34Å; S127-H145 PolarHBondContact N-O 3.27Å; S127-H145 PolarHBondContact O-N 3.2Å
128	C	93.1	Very high	90.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.1	165.8	178.2	0	0	0	0	109.9	F74 R83 Y116 I125 V144	F74-C128 HydrophobicContact CE1-CB 4.26Å; F74-C128 HydrophobicContact CZ-CB 3.84Å; R83-C128 WeakPolarHBondContact CD-O 3.46Å; Y116-C128 HydrophobicContact CD2-CB 4.07Å; I125-C128 HydrophobicContact CG2-CB 4.29Å; C128-V144 HydrophobicContact CB-CG2 4.34Å
129	K	92.5	Very high	90.8	Very high	59 Å²	59	54 Å²	54	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	130.1	176.9	-177.8	169.3	-175.7	167.8	0	113.3	D17 G142 F143	D17-K129 IonicContact OD1-NZ 3.86Å; D17-K129 PolarHBondContact OD1-NZ 3.26Å; D17-K129 WeakPolarHBondContact OD2-CE 3.41Å; D17-K129 IonicContact OD2-NZ 3.72Å; D17-K129 PolarHBondContact OD2-NZ 3.4Å; K129-G142 CarbonylContact O-C 3.51Å; K129-G142 WeakPolarHBondContact O-CA 3.29Å; K129-F143 PolarHBondContact N-O 2.94Å; K129-F143 PolarHBondContact O-N 3.5Å
130	I	93.6	Very high	90.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	142.4	163.1	-61.3	-176.5	0	0	0	110	I110 D111 H112 I115 V132 S138	I110-I130 HydrophobicContact CG2-CD1 4.22Å; I110-I130 WeakPolarHBondContact O-CD1 3.47Å; D111-I130 VanDerWaalsContact C-CD1 3.42Å; D111-I130 WeakPolarHBondContact O-CD1 3.41Å; H112-I130 PolarHBondContact NE2-N 2.82Å; I115-I130 HydrophobicContact CD1-CD1 3.59Å; I115-I130 HydrophobicContact CD1-CG1 3.54Å; I115-I130 HydrophobicContact CG1-CD1 4.42Å; I130-V132 PolarHBondContact O-N 2.88Å; I130-S138 WeakPolarHBondContact CG2-OG 3.2Å
131	A	92.2	Very high	90.7	Very high	12 Å²	12	56.1 Å²	56.1	10%	0.099	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.3	170.5	0	0	0	0	0	110.2	K139 Y141	A131-K139 HydrophobicContact CB-CD 4.31Å; A131-K139 WeakPolarHBondContact O-CB 3.31Å; A131-K139 WeakPolarHBondContact O-CG 3.17Å; A131-K139 PolarHBondContact O-N 2.68Å; A131-Y141 HydrophobicContact CB-CD1 4.37Å; A131-Y141 HydrophobicContact CB-CD2 3.56Å; A131-Y141 HydrophobicContact CB-CE1 4.04Å; A131-Y141 HydrophobicContact CB-CE2 3.15Å; A131-Y141 HydrophobicContact CB-CG 4.17Å; A131-Y141 VanDerWaalsContact CB-CZ 3.42Å; A131-Y141 PolarHBondContact N-O 3.13Å
132	V	90.7	Very high	90.7	Very high	50 Å²	50	50.3 Å²	50.3	30%	0.303	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	158.9	175.4	-62.2	0	0	0	0	112.8	I130 K137 K139	I130-V132 PolarHBondContact O-N 2.88Å; V132-K137 CarbonylContact C-O 3.52Å; V132-K137 VanDerWaalsContact CA-O 3.22Å; V132-K137 WeakPolarHBondContact CA-O 3.48Å; V132-K139 WeakPolarHBondContact O-CE 3.25Å; V132-K139 PolarHBondContact O-NZ 3.27Å
133	D	87.3	Confident	90.7	Very high	56 Å²	56	51.6 Å²	51.6	30%	0.299	27%	0.266	S	S	.	.			trans	-84.2	-176.1	168.3	70.5	19.2	0	0	0	113.4	S135 N136 K137 K139	D133-S135 PolarHBondContact O-N 3.49Å; D133-S135 VanDerWaalsContact OD1-C 3.3Å; D133-S135 VanDerWaalsContact OD1-CA 3.3Å; D133-S135 WeakPolarHBondContact OD1-CA 3.34Å; D133-S135 WeakPolarHBondContact OD1-CB 3.49Å; D133-S135 PolarHBondContact OD1-N 3.05Å; D133-N136 PolarHBondContact O-N 2.83Å; D133-N136 PolarHBondContact OD1-N 3.45Å; D133-K137 PolarHBondContact N-O 3Å; D133-K137 PolarHBondContact OD1-N 3.23Å; D133-K139 HydrophobicContact CB-CG 4.34Å
134	E	84.7	Confident	90.8	Very high	195 Å²	195	50.5 Å²	50.5	91%	0.911	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-18.2	-179.8	-68.9	164.3	-167.7	0	0	112.6	N136	E134-N136 VanDerWaalsContact C-N 3.35Å
135	S	84.4	Confident	90.9	Very high	87 Å²	87	48.2 Å²	48.2	61%	0.608	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	18.1	172.5	-55.8	0	0	0	0	112.8	D133 K137	D133-S135 PolarHBondContact O-N 3.49Å; D133-S135 VanDerWaalsContact OD1-C 3.3Å; D133-S135 VanDerWaalsContact OD1-CA 3.3Å; D133-S135 WeakPolarHBondContact OD1-CA 3.34Å; D133-S135 WeakPolarHBondContact OD1-CB 3.49Å; D133-S135 PolarHBondContact OD1-N 3.05Å; S135-K137 PolarHBondContact O-N 3Å; S135-K137 VanDerWaalsContact O-N 3.17Å
136	N	82.7	Confident	91	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	24%	0.24	S	C	.	.	S	Bend	trans	56.7	18.1	-173.9	-63.7	-18.4	0	0	0	114.9	G79 R80 D133 E134	G79-N136 PolarHBondContact O-ND2 3.34Å; R80-N136 PolarHBondContact NE-OD1 2.93Å; R80-N136 PolarHBondContact NH2-OD1 3.11Å; D133-N136 PolarHBondContact O-N 2.83Å; D133-N136 PolarHBondContact OD1-N 3.45Å; E134-N136 VanDerWaalsContact C-N 3.35Å
137	K	87.6	Confident	90.9	Very high	139 Å²	139	48.3 Å²	48.3	60%	0.604	24%	0.242	S	C	*	.			trans	-88.4	143.9	179.2	-62.4	178.1	-178.6	176.3	0	111.6	V132 D133 S135 K139	V132-K137 CarbonylContact C-O 3.52Å; V132-K137 VanDerWaalsContact CA-O 3.22Å; V132-K137 WeakPolarHBondContact CA-O 3.48Å; D133-K137 PolarHBondContact N-O 3Å; D133-K137 PolarHBondContact OD1-N 3.23Å; S135-K137 PolarHBondContact O-N 3Å; S135-K137 VanDerWaalsContact O-N 3.17Å; K137-K139 PolarHBondContact O-N 3.46Å
138	S	91.6	Very high	91	Very high	13 Å²	13	50.7 Å²	50.7	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	131.6	179.5	173.9	0	0	0	0	112.7	I130 G140	I130-S138 WeakPolarHBondContact CG2-OG 3.2Å; S138-G140 VanDerWaalsContact C-N 3.27Å; S138-G140 PolarHBondContact OG-N 2.87Å; S138-G140 VanDerWaalsContact OG-N 3.13Å
139	K	91.6	Very high	91	Very high	104 Å²	104	55 Å²	55	45%	0.452	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	5	172.1	-66.2	167.4	166.3	151.4	0	113.3	A131 V132 D133 K137 Y141	A131-K139 HydrophobicContact CB-CD 4.31Å; A131-K139 WeakPolarHBondContact O-CB 3.31Å; A131-K139 WeakPolarHBondContact O-CG 3.17Å; A131-K139 PolarHBondContact O-N 2.68Å; V132-K139 WeakPolarHBondContact O-CE 3.25Å; V132-K139 PolarHBondContact O-NZ 3.27Å; D133-K139 HydrophobicContact CB-CG 4.34Å; K137-K139 PolarHBondContact O-N 3.46Å; K139-Y141 HydrophobicContact CB-CD1 3.86Å; K139-Y141 HydrophobicContact CB-CE1 3.63Å; K139-Y141 HydrophobicContact CD-CE1 4.18Å
140	G	91.4	Very high	91.1	Very high	11 Å²	11	58 Å²	58	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.7	22.3	-179.9	0	0	0	0	0	114.7	N105 L106 S138	N105-G140 PolarHBondContact N-O 3.21Å; L106-G140 PolarHBondContact N-O 3.39Å; L106-G140 VanDerWaalsContact N-O 3.1Å; L106-G140 VanDerWaalsContact O-CA 3.29Å; L106-G140 WeakPolarHBondContact O-CA 3.21Å; S138-G140 VanDerWaalsContact C-N 3.27Å; S138-G140 PolarHBondContact OG-N 2.87Å; S138-G140 VanDerWaalsContact OG-N 3.13Å
141	Y	93.5	Very high	91.2	Very high	81 Å²	81	58.6 Å²	58.6	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.2	171.7	70.7	-94.1	0	0	0	111.7	F102 I103 A131 K139 F143	F102-Y141 AromaticContact CE2-CD2 3.73Å; F102-Y141 HydrophobicContact CE2-CD2 3.73Å; F102-Y141 HydrophobicContact CE2-CG 4.11Å; I103-Y141 CarbonylContact O-C 3.5Å; I103-Y141 WeakPolarHBondContact O-CA 3.42Å; I103-Y141 VanDerWaalsContact O-CB 3.26Å; I103-Y141 WeakPolarHBondContact O-CB 3.28Å; A131-Y141 HydrophobicContact CB-CD1 4.37Å; A131-Y141 HydrophobicContact CB-CD2 3.56Å; A131-Y141 HydrophobicContact CB-CE1 4.04Å; A131-Y141 HydrophobicContact CB-CE2 3.15Å; A131-Y141 HydrophobicContact CB-CG 4.17Å; A131-Y141 VanDerWaalsContact CB-CZ 3.42Å; A131-Y141 PolarHBondContact N-O 3.13Å; K139-Y141 HydrophobicContact CB-CD1 3.86Å; K139-Y141 HydrophobicContact CB-CE1 3.63Å; K139-Y141 HydrophobicContact CD-CE1 4.18Å; Y141-F143 HydrophobicContact CD2-CE2 4.12Å; Y141-F143 HydrophobicContact CD2-CZ 4.01Å; Y141-F143 AromaticContact CE2-CE2 3.95Å; Y141-F143 HydrophobicContact CE2-CE2 3.95Å; Y141-F143 AromaticContact CE2-CZ 3.84Å; Y141-F143 HydrophobicContact CE2-CZ 3.84Å
142	G	93.9	Very high	91.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-178.2	-177.8	0	0	0	0	0	112.9	I103 K129	I103-G142 PolarHBondContact N-O 2.89Å; I103-G142 PolarHBondContact O-N 2.98Å; K129-G142 CarbonylContact O-C 3.51Å; K129-G142 WeakPolarHBondContact O-CA 3.29Å
143	F	94.4	Very high	91.6	Very high	59 Å²	59	58.8 Å²	58.8	26%	0.259	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.4	-177.3	-50.7	-83.2	0	0	0	109.2	I101 F102 K129 Y141 F174	I101-F143 WeakPolarHBondContact O-CA 3.39Å; F102-F143 HydrophobicContact CB-CD1 4.48Å; F102-F143 AromaticContact CD2-CD1 3.91Å; F102-F143 HydrophobicContact CD2-CD1 3.91Å; F102-F143 AromaticContact CD2-CE1 3.47Å; F102-F143 HydrophobicContact CD2-CE1 3.47Å; F102-F143 VanDerWaalsContact CD2-CE1 3.47Å; F102-F143 HydrophobicContact CD2-CZ 4.19Å; F102-F143 HydrophobicContact CE2-CE1 4.08Å; F102-F143 HydrophobicContact CE2-CZ 4.37Å; F102-F143 HydrophobicContact CG-CE1 4.43Å; K129-F143 PolarHBondContact N-O 2.94Å; K129-F143 PolarHBondContact O-N 3.5Å; Y141-F143 HydrophobicContact CD2-CE2 4.12Å; Y141-F143 HydrophobicContact CD2-CZ 4.01Å; Y141-F143 AromaticContact CE2-CE2 3.95Å; Y141-F143 HydrophobicContact CE2-CE2 3.95Å; Y141-F143 AromaticContact CE2-CZ 3.84Å; Y141-F143 HydrophobicContact CE2-CZ 3.84Å; F143-F174 AromaticContact CD1-CD2 3.6Å; F143-F174 HydrophobicContact CD1-CD2 3.6Å; F143-F174 AromaticContact CD1-CE2 3.8Å; F143-F174 HydrophobicContact CD1-CE2 3.8Å; F143-F174 AromaticContact CE1-CD2 3.64Å; F143-F174 HydrophobicContact CE1-CD2 3.64Å; F143-F174 AromaticContact CE1-CE2 3.51Å; F143-F174 HydrophobicContact CE1-CE2 3.51Å; F143-F174 HydrophobicContact CZ-CE2 4.45Å
144	V	94.8	Very high	92	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.8	171.4	174.3	0	0	0	0	107.7	N100 I101 I103 I115 F119 I125 S127 C128 F146	N100-V144 WeakPolarHBondContact CA-O 3.5Å; I101-V144 HydrophobicContact CD1-CB 4.04Å; I101-V144 HydrophobicContact CG1-CB 3.73Å; I101-V144 HydrophobicContact CG1-CG1 4.46Å; I101-V144 WeakPolarHBondContact CG1-O 3.35Å; I101-V144 PolarHBondContact N-O 3.06Å; I101-V144 PolarHBondContact O-N 3.03Å; I101-V144 VanDerWaalsContact O-N 3.17Å; I103-V144 HydrophobicContact CD1-CB 4.49Å; I103-V144 HydrophobicContact CD1-CG2 3.72Å; I115-V144 HydrophobicContact CG2-CG2 3.68Å; F119-V144 HydrophobicContact CB-CG1 4.36Å; F119-V144 HydrophobicContact CG-CG2 4.45Å; I125-V144 HydrophobicContact CD1-CG1 3.82Å; I125-V144 HydrophobicContact CG1-CG1 3.86Å; I125-V144 HydrophobicContact CG2-CG1 3.97Å; S127-V144 CarbonylContact O-C 3.46Å; S127-V144 WeakPolarHBondContact O-CA 3.34Å; C128-V144 HydrophobicContact CB-CG2 4.34Å; V144-F146 HydrophobicContact CG1-CD2 4.12Å; V144-F146 HydrophobicContact CG1-CE2 3.82Å; V144-F146 HydrophobicContact CG1-CZ 4.11Å
145	H	93.7	Very high	92.5	Very high	25 Å²	25	50.9 Å²	50.9	12%	0.116	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.3	177	-169.7	-178.4	0	0	0	108.2	V98 N100 I125 L126 S127	V98-H145 PolarHBondContact O-CD2 3.3Å; V98-H145 PolarHBondContact O-NE2 3.37Å; N100-H145 PolarHBondContact ND2-NE2 3.4Å; N100-H145 VanDerWaalsContact OD1-CB 3.28Å; N100-H145 WeakPolarHBondContact OD1-CB 3.5Å; N100-H145 VanDerWaalsContact OD1-CG 3.3Å; I125-H145 CarbonylContact C-O 3.55Å; I125-H145 WeakPolarHBondContact CA-O 3.46Å; L126-H145 PolarHBondContact N-O 2.91Å; S127-H145 PolarHBondContact N-O 3.27Å; S127-H145 PolarHBondContact O-N 3.2Å
146	F	94.4	Very high	93	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	153.7	170.6	-72	-80.5	0	0	0	111.6	G99 I101 F119 F122 G123 N124 I125 V144 T148 A152 A155	G99-F146 PolarHBondContact O-N 2.89Å; I101-F146 HydrophobicContact CD1-CE2 3.84Å; I101-F146 HydrophobicContact CG1-CE2 4.23Å; F119-F146 HydrophobicContact CB-CZ 4.01Å; F119-F146 HydrophobicContact CD1-CE2 4.27Å; F119-F146 HydrophobicContact CD1-CZ 4.08Å; F119-F146 VanDerWaalsContact O-CE1 3.26Å; F119-F146 WeakPolarHBondContact O-CE1 3.18Å; F119-F146 WeakPolarHBondContact O-CZ 3.27Å; F122-F146 HydrophobicContact CB-CE1 4.13Å; F122-F146 HydrophobicContact CB-CZ 4.07Å; F122-F146 HydrophobicContact CD2-CZ 4.44Å; G123-F146 WeakPolarHBondContact O-CE1 3.48Å; N124-F146 CarbonylContact O-C 3.53Å; N124-F146 WeakPolarHBondContact O-CA 3.28Å; I125-F146 HydrophobicContact CD1-CE1 4.36Å; I125-F146 HydrophobicContact CG1-CD1 4Å; I125-F146 HydrophobicContact CG1-CE1 3.76Å; I125-F146 HydrophobicContact CG1-CZ 4.39Å; V144-F146 HydrophobicContact CG1-CD2 4.12Å; V144-F146 HydrophobicContact CG1-CE2 3.82Å; V144-F146 HydrophobicContact CG1-CZ 4.11Å; F146-T148 WeakPolarHBondContact CB-O 3.44Å; F146-T148 PolarHBondContact O-N 2.96Å; F146-A152 HydrophobicContact CB-CB 4.35Å; F146-A152 HydrophobicContact CD2-CB 3.88Å; F146-A152 HydrophobicContact CG-CB 4.47Å; F146-A155 HydrophobicContact CE2-CB 3.61Å; F146-A155 HydrophobicContact CZ-CB 3.74Å
147	E	90.2	Very high	93.6	Very high	50 Å²	50	49.9 Å²	49.9	23%	0.234	24%	0.239	C	C	.	.	S	Bend	trans	-63.3	-30	173.2	-172.1	176.9	179	0	0	112.6	N124 L126	N124-E147 HydrophobicContact CB-CB 4.17Å; N124-E147 PolarHBondContact ND2-OE2 3.18Å; N124-E147 PolarHBondContact O-N 2.86Å; L126-E147 HydrophobicContact CD1-CB 4.35Å; L126-E147 HydrophobicContact CD2-CB 4.16Å; L126-E147 HydrophobicContact CD2-CG 4.36Å; L126-E147 HydrophobicContact CG-CB 4.1Å
148	T	92.1	Very high	93.8	Very high	59 Å²	59	51.3 Å²	51.3	36%	0.362	24%	0.241	S	C	.	.	S	Bend	trans	-123.7	151.6	-179.6	72.2	0	0	0	0	112.1	F146 E150 S151 A152	F146-T148 WeakPolarHBondContact CB-O 3.44Å; F146-T148 PolarHBondContact O-N 2.96Å; T148-E150 VanDerWaalsContact C-N 3.28Å; T148-S151 WeakPolarHBondContact OG1-CB 3.28Å; T148-S151 PolarHBondContact OG1-N 3.34Å; T148-S151 VanDerWaalsContact OG1-N 3.08Å; T148-S151 PolarHBondContact OG1-OG 3.16Å; T148-A152 PolarHBondContact O-N 3.36Å
149	E	93.1	Very high	93.8	Very high	89 Å²	89	50.8 Å²	50.8	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-69.4	-28	169.9	-175	164.7	-170.2	0	0	112.2	V98 A152 Q153 K173	V98-E149 HydrophobicContact CG1-CB 4Å; E149-A152 WeakPolarHBondContact O-CB 3.44Å; E149-A152 PolarHBondContact O-N 3.32Å; E149-Q153 WeakPolarHBondContact O-CB 3.31Å; E149-Q153 PolarHBondContact O-N 2.86Å; E149-K173 IonicContact OE1-NZ 3.9Å; E149-K173 PolarHBondContact OE1-NZ 2.94Å
150	E	95.5	Very high	93.7	Very high	123 Å²	123	49.5 Å²	49.5	58%	0.575	24%	0.235	S	C	*	.	H	α-helix	trans	-62.4	-44	176.9	-162.8	-162.2	162.1	0	0	111.8	T148 Q153 K154	T148-E150 VanDerWaalsContact C-N 3.28Å; E150-Q153 PolarHBondContact O-N 3.37Å; E150-K154 VanDerWaalsContact CD-NZ 3.26Å; E150-K154 WeakPolarHBondContact O-CB 3.45Å; E150-K154 VanDerWaalsContact O-CG 3.3Å; E150-K154 WeakPolarHBondContact O-CG 3.24Å; E150-K154 PolarHBondContact O-N 2.83Å; E150-K154 WeakPolarHBondContact OE1-CE 3.28Å; E150-K154 IonicContact OE1-NZ 3.89Å; E150-K154 PolarHBondContact OE1-NZ 2.82Å; E150-K154 IonicContact OE2-NZ 2.63Å
151	S	95.8	Very high	93.5	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-38	174.3	-73.6	0	0	0	0	112.4	F122 G123 T148 A155	F122-S151 WeakPolarHBondContact O-CB 3.39Å; F122-S151 PolarHBondContact O-OG 2.69Å; G123-S151 WeakPolarHBondContact CA-OG 3.37Å; T148-S151 WeakPolarHBondContact OG1-CB 3.28Å; T148-S151 PolarHBondContact OG1-N 3.34Å; T148-S151 VanDerWaalsContact OG1-N 3.08Å; T148-S151 PolarHBondContact OG1-OG 3.16Å; S151-A155 WeakPolarHBondContact O-CB 3.48Å; S151-A155 PolarHBondContact O-N 2.77Å
152	A	95.3	Very high	93.2	Very high	5 Å²	5	52 Å²	52	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-41.6	172.6	0	0	0	0	0	112.3	I101 F146 T148 E149 A155 I156	I101-A152 HydrophobicContact CG2-CB 3.67Å; F146-A152 HydrophobicContact CB-CB 4.35Å; F146-A152 HydrophobicContact CD2-CB 3.88Å; F146-A152 HydrophobicContact CG-CB 4.47Å; T148-A152 PolarHBondContact O-N 3.36Å; E149-A152 WeakPolarHBondContact O-CB 3.44Å; E149-A152 PolarHBondContact O-N 3.32Å; A152-A155 PolarHBondContact O-N 3Å; A152-I156 WeakPolarHBondContact O-CD1 3.46Å; A152-I156 VanDerWaalsContact O-CG1 3.3Å; A152-I156 WeakPolarHBondContact O-CG1 3.36Å; A152-I156 PolarHBondContact O-N 3.02Å
153	Q	95.9	Very high	92.5	Very high	61 Å²	61	57.7 Å²	57.7	29%	0.285	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-48.2	177.4	-166.2	62.1	57.8	0	0	111.1	E149 E150 A155 I156 D157	E149-Q153 WeakPolarHBondContact O-CB 3.31Å; E149-Q153 PolarHBondContact O-N 2.86Å; E150-Q153 PolarHBondContact O-N 3.37Å; Q153-A155 PolarHBondContact O-N 3.35Å; Q153-I156 WeakPolarHBondContact O-CB 3.34Å; Q153-I156 PolarHBondContact O-N 3.37Å; Q153-D157 PolarHBondContact NE2-OD1 3.46Å; Q153-D157 PolarHBondContact O-N 2.88Å
154	K	95.7	Very high	91.5	Very high	84 Å²	84	56.3 Å²	56.3	37%	0.365	28%	0.283	S	S	.	.	H	α-helix	trans	-54.2	-36.6	173.7	-73.5	168.2	-176.9	168.7	0	113	E150 R158	E150-K154 VanDerWaalsContact CD-NZ 3.26Å; E150-K154 WeakPolarHBondContact O-CB 3.45Å; E150-K154 VanDerWaalsContact O-CG 3.3Å; E150-K154 WeakPolarHBondContact O-CG 3.24Å; E150-K154 PolarHBondContact O-N 2.83Å; E150-K154 WeakPolarHBondContact OE1-CE 3.28Å; E150-K154 IonicContact OE1-NZ 3.89Å; E150-K154 PolarHBondContact OE1-NZ 2.82Å; E150-K154 IonicContact OE2-NZ 2.63Å; K154-R158 WeakPolarHBondContact O-CB 3.28Å; K154-R158 WeakPolarHBondContact O-CG 3.36Å; K154-R158 PolarHBondContact O-N 3.13Å
155	A	95.4	Very high	90.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-72	-39	175.9	0	0	0	0	0	112.9	I101 F119 F122 F146 S151 A152 Q153 V159	I101-A155 HydrophobicContact CD1-CB 4.29Å; F119-A155 HydrophobicContact CD1-CB 3.9Å; F119-A155 HydrophobicContact CE1-CB 4.07Å; F122-A155 HydrophobicContact CB-CB 3.89Å; F122-A155 HydrophobicContact CD2-CB 3.62Å; F122-A155 HydrophobicContact CE2-CB 4.4Å; F122-A155 HydrophobicContact CG-CB 3.76Å; F146-A155 HydrophobicContact CE2-CB 3.61Å; F146-A155 HydrophobicContact CZ-CB 3.74Å; S151-A155 WeakPolarHBondContact O-CB 3.48Å; S151-A155 PolarHBondContact O-N 2.77Å; A152-A155 PolarHBondContact O-N 3Å; Q153-A155 PolarHBondContact O-N 3.35Å; A155-V159 VanDerWaalsContact O-CB 3.25Å; A155-V159 WeakPolarHBondContact O-CB 3.45Å; A155-V159 WeakPolarHBondContact O-CG2 3.28Å; A155-V159 PolarHBondContact O-N 3.06Å
156	I	94.7	Very high	89.6	Confident	18 Å²	18	66.5 Å²	66.5	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-54.7	172.9	-69.2	161.5	0	0	0	109.8	I101 A152 Q153 R158 V159 N160 V171 K173	I101-I156 HydrophobicContact CG2-CD1 3.89Å; I101-I156 HydrophobicContact CG2-CG1 3.94Å; A152-I156 WeakPolarHBondContact O-CD1 3.46Å; A152-I156 VanDerWaalsContact O-CG1 3.3Å; A152-I156 WeakPolarHBondContact O-CG1 3.36Å; A152-I156 PolarHBondContact O-N 3.02Å; Q153-I156 WeakPolarHBondContact O-CB 3.34Å; Q153-I156 PolarHBondContact O-N 3.37Å; I156-R158 PolarHBondContact O-N 3.38Å; I156-V159 PolarHBondContact O-N 3.24Å; I156-N160 WeakPolarHBondContact O-CB 3.43Å; I156-N160 PolarHBondContact O-N 2.99Å; I156-V171 HydrophobicContact CG1-CG1 4Å; I156-K173 HydrophobicContact CD1-CB 4.5Å; I156-K173 HydrophobicContact CD1-CG 3.61Å
157	D	94.4	Very high	88.9	Confident	111 Å²	111	70.2 Å²	70.2	59%	0.594	35%	0.354	S	S	*	.	H	α-helix	trans	-63.7	-29	-171	-57.9	-22.1	0	0	0	112.9	Q153	Q153-D157 PolarHBondContact NE2-OD1 3.46Å; Q153-D157 PolarHBondContact O-N 2.88Å
158	R	92.5	Very high	88.8	Confident	169 Å²	169	74 Å²	74	64%	0.638	37%	0.372	S	S	*	.	H	α-helix	trans	-94.9	-35.2	-179.4	-68.2	178.7	173.8	-173.9	-2.5	114.2	F122 K154 I156 M162	F122-R158 HydrophobicContact CE1-CB 3.89Å; F122-R158 HydrophobicContact CE1-CG 4.38Å; F122-R158 HydrophobicContact CZ-CB 4.38Å; K154-R158 WeakPolarHBondContact O-CB 3.28Å; K154-R158 WeakPolarHBondContact O-CG 3.36Å; K154-R158 PolarHBondContact O-N 3.13Å; I156-R158 PolarHBondContact O-N 3.38Å; R158-M162 WeakPolarHBondContact O-CG 3.24Å
159	V	91.1	Very high	88.8	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.012	36%	0.355	C	S	.	.	H	α-helix	trans	-101.1	-22.1	-170.9	-169.5	0	0	0	0	113.1	F119 F122 A155 I156 G161 M162 M164 V169 V171	F119-V159 HydrophobicContact CE1-CB 4.25Å; F119-V159 HydrophobicContact CE1-CG1 4.32Å; F119-V159 HydrophobicContact CE1-CG2 4.21Å; F119-V159 HydrophobicContact CE2-CG1 4.31Å; F119-V159 HydrophobicContact CZ-CB 4.13Å; F119-V159 HydrophobicContact CZ-CG1 3.7Å; F119-V159 HydrophobicContact CZ-CG2 4.34Å; F122-V159 HydrophobicContact CD2-CG2 4.4Å; F122-V159 HydrophobicContact CE1-CG2 4.3Å; F122-V159 HydrophobicContact CE2-CG2 3.38Å; F122-V159 HydrophobicContact CZ-CG2 3.32Å; A155-V159 VanDerWaalsContact O-CB 3.25Å; A155-V159 WeakPolarHBondContact O-CB 3.45Å; A155-V159 WeakPolarHBondContact O-CG2 3.28Å; A155-V159 PolarHBondContact O-N 3.06Å; I156-V159 PolarHBondContact O-N 3.24Å; V159-G161 PolarHBondContact O-N 3.09Å; V159-M162 HydrophobicContact CG1-SD 4.49Å; V159-M162 WeakPolarHBondContact O-CB 3.24Å; V159-M162 PolarHBondContact O-N 3.08Å; V159-M164 HydrophobicContact CG1-CE 4.36Å; V159-V169 HydrophobicContact CG1-CG2 3.99Å; V159-V171 HydrophobicContact CB-CG2 4.08Å; V159-V171 HydrophobicContact CG1-CG2 3.98Å
160	N	90.6	Very high	88.8	Confident	76 Å²	76	72.8 Å²	72.8	41%	0.406	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	121.2	178.1	-173.9	42.8	0	0	0	111.4	I156 Y170 V171	I156-N160 WeakPolarHBondContact O-CB 3.43Å; I156-N160 PolarHBondContact O-N 2.99Å; N160-Y170 WeakPolarHBondContact OD1-CA 3.39Å; N160-V171 HydrophobicContact CB-CB 4.04Å; N160-V171 VanDerWaalsContact CG-O 3.27Å; N160-V171 PolarHBondContact OD1-N 2.98Å; N160-V171 PolarHBondContact OD1-O 3.15Å
161	G	86.4	Confident	88.7	Confident	39 Å²	39	67 Å²	67	40%	0.402	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-9.1	-175.8	0	0	0	0	0	115.1	V159 V169	V159-G161 PolarHBondContact O-N 3.09Å; G161-V169 PolarHBondContact N-O 2.72Å
162	M	86.6	Confident	88.6	Confident	106 Å²	106	66.6 Å²	66.6	52%	0.522	33%	0.329	S	S	.	.			trans	-63.9	147.8	176	-72.2	-166.3	80.2	0	0	112.1	R158 V159 M164 Q168 V169	R158-M162 WeakPolarHBondContact O-CG 3.24Å; V159-M162 HydrophobicContact CG1-SD 4.49Å; V159-M162 WeakPolarHBondContact O-CB 3.24Å; V159-M162 PolarHBondContact O-N 3.08Å; M162-M164 PolarHBondContact O-N 3.14Å; M162-Q168 CarbonylContact O-C 3.58Å; M162-Q168 WeakPolarHBondContact O-CA 3.34Å; M162-V169 WeakPolarHBondContact O-CG2 3.26Å; M162-V169 PolarHBondContact O-N 3.32Å
163	L	80.7	Confident	88.5	Confident	119 Å²	119	71.5 Å²	71.5	62%	0.623	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	108.1	172.7	-73.4	162.4	0	0	0	110.5	K167 Q168	L163-K167 WeakPolarHBondContact CA-O 3.09Å; L163-Q168 HydrophobicContact CD2-CG 3.73Å; L163-Q168 HydrophobicContact CG-CG 4.21Å
164	M	72.6	Confident	88.3	Confident	31 Å²	31	71.8 Å²	71.8	15%	0.153	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.1	162	-70	-176.3	156.9	0	0	108.6	L106 I110 T118 F119 V159 M162 N166 K167 V169	L106-M164 HydrophobicContact CD2-SD 4.32Å; I110-M164 HydrophobicContact CD1-CB 4.5Å; T118-M164 HydrophobicContact CG2-CE 3.59Å; F119-M164 HydrophobicContact CE2-CE 4.18Å; V159-M164 HydrophobicContact CG1-CE 4.36Å; M162-M164 PolarHBondContact O-N 3.14Å; M164-N166 VanDerWaalsContact C-N 3.34Å; M164-N166 PolarHBondContact O-N 3.36Å; M164-K167 PolarHBondContact N-O 3.42Å; M164-K167 PolarHBondContact O-N 3.26Å; M164-K167 VanDerWaalsContact O-O 3.1Å; M164-V169 HydrophobicContact CB-CG1 3.89Å; M164-V169 HydrophobicContact CG-CG1 4Å; M164-V169 HydrophobicContact CG-CG2 4.13Å; M164-V169 HydrophobicContact SD-CG1 3.8Å; M164-V169 HydrophobicContact SD-CG2 4.08Å
165	N	70.5	Confident	87.9	Confident	80 Å²	80	70.9 Å²	70.9	43%	0.428	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.4	56.9	179	-61.7	-5.4	0	0	0	112.9	E107 K167	E107-N165 VanDerWaalsContact CD-O 3.28Å; E107-N165 HydrophobicContact CG-CB 3.98Å; E107-N165 VanDerWaalsContact OE2-CB 3.32Å; E107-N165 WeakPolarHBondContact OE2-CB 3.41Å; N165-K167 PolarHBondContact O-N 2.94Å; N165-K167 VanDerWaalsContact O-N 3.12Å
166	N	77.2	Confident	87.4	Confident	158 Å²	158	73.4 Å²	73.4	85%	0.845	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	15.9	-179.7	-55.4	-20.3	0	0	0	115.8	M164	M164-N166 VanDerWaalsContact C-N 3.34Å; M164-N166 PolarHBondContact O-N 3.36Å
167	K	81.6	Confident	86.8	Confident	78 Å²	78	82.2 Å²	82.2	34%	0.339	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.9	169.2	-66.9	-162.2	177.3	52.3	0	111.9	E107 L163 M164 N165 V169	E107-K167 HydrophobicContact CG-CB 4.42Å; E107-K167 HydrophobicContact CG-CD 3.98Å; E107-K167 HydrophobicContact CG-CG 4.05Å; E107-K167 IonicContact OE1-NZ 3.95Å; E107-K167 PolarHBondContact OE1-NZ 3.03Å; L163-K167 WeakPolarHBondContact CA-O 3.09Å; M164-K167 PolarHBondContact N-O 3.42Å; M164-K167 PolarHBondContact O-N 3.26Å; M164-K167 VanDerWaalsContact O-O 3.1Å; N165-K167 PolarHBondContact O-N 2.94Å; N165-K167 VanDerWaalsContact O-N 3.12Å; K167-V169 PolarHBondContact O-N 2.95Å
168	Q	87.2	Confident	86.1	Confident	129 Å²	129	80.9 Å²	80.9	60%	0.603	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	115.3	170	-69.9	178.6	-23.4	0	0	109.1	N105 M162 L163	N105-Q168 PolarHBondContact ND2-O 3.19Å; M162-Q168 CarbonylContact O-C 3.58Å; M162-Q168 WeakPolarHBondContact O-CA 3.34Å; L163-Q168 HydrophobicContact CD2-CG 3.73Å; L163-Q168 HydrophobicContact CG-CG 4.21Å
169	V	91.5	Very high	85.8	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.012	39%	0.393	C	S	.	.			trans	-82.8	138.4	175.7	-66.7	0	0	0	0	110.4	L106 V159 G161 M162 M164 K167 V171	L106-V169 HydrophobicContact CD2-CG1 4.05Å; V159-V169 HydrophobicContact CG1-CG2 3.99Å; G161-V169 PolarHBondContact N-O 2.72Å; M162-V169 WeakPolarHBondContact O-CG2 3.26Å; M162-V169 PolarHBondContact O-N 3.32Å; M164-V169 HydrophobicContact CB-CG1 3.89Å; M164-V169 HydrophobicContact CG-CG1 4Å; M164-V169 HydrophobicContact CG-CG2 4.13Å; M164-V169 HydrophobicContact SD-CG1 3.8Å; M164-V169 HydrophobicContact SD-CG2 4.08Å; K167-V169 PolarHBondContact O-N 2.95Å; V169-V171 HydrophobicContact CG2-CG2 4.33Å
170	Y	92.9	Very high	85.5	Confident	122 Å²	122	81.4 Å²	81.4	48%	0.478	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.1	171.1	172.9	-85.1	0	0	0	108.8	F102 I103 K104 N160	F102-Y170 HydrophobicContact CD1-CE1 4.46Å; I103-Y170 CarbonylContact C-O 3.55Å; I103-Y170 WeakPolarHBondContact CA-O 3.49Å; K104-Y170 HydrophobicContact CB-CD1 4.19Å; K104-Y170 PolarHBondContact N-O 3Å; K104-Y170 PolarHBondContact O-N 3.42Å; N160-Y170 WeakPolarHBondContact OD1-CA 3.39Å
171	V	94.3	Very high	84.8	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.006	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.7	178.4	-169.4	0	0	0	0	108.8	I101 I103 F119 I156 V159 N160 V169	I101-V171 HydrophobicContact CB-CG1 4.5Å; I101-V171 HydrophobicContact CD1-CG1 3.77Å; I103-V171 HydrophobicContact CG1-CG1 4.35Å; I103-V171 HydrophobicContact CG2-CG2 4.3Å; F119-V171 HydrophobicContact CE1-CG1 4.15Å; F119-V171 HydrophobicContact CZ-CG1 4.43Å; F119-V171 HydrophobicContact CZ-CG2 4.08Å; I156-V171 HydrophobicContact CG1-CG1 4Å; V159-V171 HydrophobicContact CB-CG2 4.08Å; V159-V171 HydrophobicContact CG1-CG2 3.98Å; N160-V171 HydrophobicContact CB-CB 4.04Å; N160-V171 VanDerWaalsContact CG-O 3.27Å; N160-V171 PolarHBondContact OD1-N 2.98Å; N160-V171 PolarHBondContact OD1-O 3.15Å; V169-V171 HydrophobicContact CG2-CG2 4.33Å
172	G	93.6	Very high	84.6	Confident	7 Å²	7	90.8 Å²	90.8	7%	0.072	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	172.2	177.9	0	0	0	0	0	112.6	I101 F102	I101-G172 CarbonylContact C-O 3.5Å; I101-G172 WeakPolarHBondContact CA-O 3.38Å; F102-G172 PolarHBondContact N-O 3.16Å; F102-G172 PolarHBondContact O-N 2.89Å; F102-G172 VanDerWaalsContact O-N 3.1Å
173	K	93.2	Very high	84.3	Confident	108 Å²	108	90 Å²	90	47%	0.47	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	141	178.2	-63	-167.5	-178.8	-172.1	0	111.2	E149 I156 I175	E149-K173 IonicContact OE1-NZ 3.9Å; E149-K173 PolarHBondContact OE1-NZ 2.94Å; I156-K173 HydrophobicContact CD1-CB 4.5Å; I156-K173 HydrophobicContact CD1-CG 3.61Å; K173-I175 PolarHBondContact O-N 2.81Å
174	F	91.3	Very high	84.1	Confident	67 Å²	67	88.3 Å²	88.3	29%	0.294	42%	0.42	S	S	.	.			trans	-73.4	107.3	179.3	170.5	-101.4	0	0	0	111.3	N100 F102 F143 P176	N100-F174 HydrophobicContact CB-CB 3.58Å; N100-F174 HydrophobicContact CB-CD1 4.1Å; N100-F174 HydrophobicContact CB-CG 4.09Å; N100-F174 WeakPolarHBondContact O-CB 3.17Å; N100-F174 PolarHBondContact O-N 2.59Å; F102-F174 HydrophobicContact CB-CD2 4.49Å; F143-F174 AromaticContact CD1-CD2 3.6Å; F143-F174 HydrophobicContact CD1-CD2 3.6Å; F143-F174 AromaticContact CD1-CE2 3.8Å; F143-F174 HydrophobicContact CD1-CE2 3.8Å; F143-F174 AromaticContact CE1-CD2 3.64Å; F143-F174 HydrophobicContact CE1-CD2 3.64Å; F143-F174 AromaticContact CE1-CE2 3.51Å; F143-F174 HydrophobicContact CE1-CE2 3.51Å; F143-F174 HydrophobicContact CZ-CE2 4.45Å; F174-P176 HydrophobicContact CD1-CG 4.46Å; F174-P176 HydrophobicContact CE1-CB 4.32Å; F174-P176 HydrophobicContact CE1-CG 3.98Å; F174-P176 WeakPolarHBondContact O-CD 3.15Å
175	I	87.3	Confident	84	Confident	65 Å²	65	88.6 Å²	88.6	33%	0.333	43%	0.431	S	S	.	.			trans	-88	119.2	168.8	-54	177.5	0	0	0	109.1	K173 Q179 R180	K173-I175 PolarHBondContact O-N 2.81Å; I175-Q179 HydrophobicContact CG2-CB 3.96Å; I175-Q179 HydrophobicContact CG2-CG 3.87Å; I175-R180 HydrophobicContact CG2-CB 3.88Å; I175-R180 HydrophobicContact CG2-CG 4.45Å; I175-R180 PolarHBondContact O-NE 3.46Å; I175-R180 PolarHBondContact O-NH2 3.22Å
176	P	85.7	Confident	83.8	Confident	53 Å²	53	92.4 Å²	92.4	34%	0.344	45%	0.446	S	S	.	.			trans	-54.4	148.2	175.9	-26	34.5	0	0	0	112.6	F174 A178 Q179 R180	F174-P176 HydrophobicContact CD1-CG 4.46Å; F174-P176 HydrophobicContact CE1-CB 4.32Å; F174-P176 HydrophobicContact CE1-CG 3.98Å; F174-P176 WeakPolarHBondContact O-CD 3.15Å; P176-A178 VanDerWaalsContact C-N 3.29Å; P176-A178 PolarHBondContact O-N 2.86Å; P176-Q179 HydrophobicContact CB-CB 4.47Å; P176-Q179 PolarHBondContact O-N 2.95Å; P176-Q179 VanDerWaalsContact O-N 3.17Å; P176-R180 WeakPolarHBondContact O-CB 3.19Å; P176-R180 PolarHBondContact O-N 3.45Å
177	R	81.6	Confident	83.5	Confident	204 Å²	204	88.3 Å²	88.3	77%	0.77	43%	0.43	S	S	*	.	H	α-helix	trans	-57.2	-39.3	-175.6	-178.2	175	176.5	150.4	0.5	113.2	M181	R177-M181 HydrophobicContact CG-CG 4.48Å; R177-M181 VanDerWaalsContact O-CG 3.28Å; R177-M181 WeakPolarHBondContact O-CG 3.47Å; R177-M181 PolarHBondContact O-N 3.04Å; R177-M181 VanDerWaalsContact O-N 3.08Å
178	A	80.9	Confident	82.8	Confident	83 Å²	83	85.8 Å²	85.8	69%	0.686	42%	0.423	S	S	*	.	H	α-helix	trans	-65.6	-44.7	179.6	0	0	0	0	0	111.9	P176 M181 R182	P176-A178 VanDerWaalsContact C-N 3.29Å; P176-A178 PolarHBondContact O-N 2.86Å; A178-M181 PolarHBondContact O-N 3.34Å; A178-R182 PolarHBondContact O-N 2.94Å
179	Q	85.6	Confident	82.2	Confident	97 Å²	97	85.1 Å²	85.1	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-49.6	174.5	-175.9	-177.8	-8	0	0	110.7	I175 P176 M181 R182 D183	I175-Q179 HydrophobicContact CG2-CB 3.96Å; I175-Q179 HydrophobicContact CG2-CG 3.87Å; P176-Q179 HydrophobicContact CB-CB 4.47Å; P176-Q179 PolarHBondContact O-N 2.95Å; P176-Q179 VanDerWaalsContact O-N 3.17Å; Q179-M181 PolarHBondContact O-N 3.01Å; Q179-M181 VanDerWaalsContact O-N 3.09Å; Q179-R182 CarbonylContact O-C 3.53Å; Q179-R182 VanDerWaalsContact O-CA 3.32Å; Q179-R182 WeakPolarHBondContact O-CA 3.34Å; Q179-R182 VanDerWaalsContact O-CB 3.29Å; Q179-R182 WeakPolarHBondContact O-CB 3.35Å; Q179-R182 PolarHBondContact O-N 3.32Å; Q179-D183 WeakPolarHBondContact CG-OD1 3.31Å; Q179-D183 WeakPolarHBondContact CG-OD2 3.5Å; Q179-D183 PolarHBondContact O-N 2.94Å; Q179-D183 VanDerWaalsContact O-OD1 3.13Å
180	R	84.2	Confident	81.8	Confident	85 Å²	85	89.5 Å²	89.5	32%	0.321	44%	0.44	S	S	.	.	H	α-helix	trans	-57.1	-31.4	178.7	-159.6	-173.3	-51.6	-168.7	0.3	113.9	I175 P176 L184	I175-R180 HydrophobicContact CG2-CB 3.88Å; I175-R180 HydrophobicContact CG2-CG 4.45Å; I175-R180 PolarHBondContact O-NE 3.46Å; I175-R180 PolarHBondContact O-NH2 3.22Å; P176-R180 WeakPolarHBondContact O-CB 3.19Å; P176-R180 PolarHBondContact O-N 3.45Å; R180-L184 WeakPolarHBondContact O-CD1 3.48Å; R180-L184 PolarHBondContact O-N 2.96Å
181	M	76.6	Confident	81.7	Confident	104 Å²	104	85.3 Å²	85.3	51%	0.512	42%	0.424	S	S	.	.	H	α-helix	trans	-76.3	-26.9	173.4	-70.1	-62.1	-48.2	0	0	112.9	R177 A178 Q179 A188	R177-M181 HydrophobicContact CG-CG 4.48Å; R177-M181 VanDerWaalsContact O-CG 3.28Å; R177-M181 WeakPolarHBondContact O-CG 3.47Å; R177-M181 PolarHBondContact O-N 3.04Å; R177-M181 VanDerWaalsContact O-N 3.08Å; A178-M181 PolarHBondContact O-N 3.34Å; Q179-M181 PolarHBondContact O-N 3.01Å; Q179-M181 VanDerWaalsContact O-N 3.09Å; M181-A188 HydrophobicContact CE-CB 4.12Å
182	R	81.8	Confident	81.7	Confident	208 Å²	208	87.9 Å²	87.9	79%	0.785	44%	0.435	S	S	*	.	H	α-helix	trans	-76.8	-45.5	173.1	-173.1	-170.5	-65.1	-170.7	-1.8	111.1	A178 Q179 L184 G185	A178-R182 PolarHBondContact O-N 2.94Å; Q179-R182 CarbonylContact O-C 3.53Å; Q179-R182 VanDerWaalsContact O-CA 3.32Å; Q179-R182 WeakPolarHBondContact O-CA 3.34Å; Q179-R182 VanDerWaalsContact O-CB 3.29Å; Q179-R182 WeakPolarHBondContact O-CB 3.35Å; Q179-R182 PolarHBondContact O-N 3.32Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 3.28Å; R182-G185 WeakPolarHBondContact O-CA 3.5Å; R182-G185 PolarHBondContact O-N 3.11Å
183	D	80.2	Confident	81.7	Confident	89 Å²	89	91.4 Å²	91.4	48%	0.476	45%	0.452	S	S	.	.	H	α-helix	trans	-64.2	-33	-177.7	-53.6	-15.4	0	0	0	112.4	Q179 G185	Q179-D183 WeakPolarHBondContact CG-OD1 3.31Å; Q179-D183 WeakPolarHBondContact CG-OD2 3.5Å; Q179-D183 PolarHBondContact O-N 2.94Å; Q179-D183 VanDerWaalsContact O-OD1 3.13Å; D183-G185 VanDerWaalsContact C-N 3.3Å
184	L	75.6	Confident	81.9	Confident	83 Å²	83	86.2 Å²	86.2	44%	0.435	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25	170.2	-96.8	68.2	0	0	0	112.5	R180 R182 E186 S187 A188	R180-L184 WeakPolarHBondContact O-CD1 3.48Å; R180-L184 PolarHBondContact O-N 2.96Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 3.28Å; L184-E186 PolarHBondContact O-N 3.49Å; L184-S187 WeakPolarHBondContact O-CA 3.42Å; L184-S187 VanDerWaalsContact O-CB 3.31Å; L184-S187 WeakPolarHBondContact O-CB 3.46Å; L184-S187 PolarHBondContact O-N 3.35Å; L184-S187 PolarHBondContact O-OG 3Å; L184-A188 HydrophobicContact CB-CB 3.9Å; L184-A188 HydrophobicContact CD2-CB 4.19Å
185	G	71.2	Confident	82.1	Confident	37 Å²	37	85 Å²	85	38%	0.381	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	47.2	-130.4	-179	0	0	0	0	0	113.2	R182 D183 S187 A188	R182-G185 WeakPolarHBondContact O-CA 3.5Å; R182-G185 PolarHBondContact O-N 3.11Å; D183-G185 VanDerWaalsContact C-N 3.3Å; G185-S187 PolarHBondContact O-N 3.35Å; G185-A188 WeakPolarHBondContact O-CB 3.31Å; G185-A188 PolarHBondContact O-N 3.43Å; G185-A188 VanDerWaalsContact O-N 3.11Å
186	E	66.7	Low	82.6	Confident	160 Å²	160	81.9 Å²	81.9	75%	0.748	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-66.1	-21.1	178.2	-60.5	-177.6	157.3	0	0	113.5	L184 A188 L189 R190	L184-E186 PolarHBondContact O-N 3.49Å; E186-A188 PolarHBondContact O-N 3.45Å; E186-L189 WeakPolarHBondContact O-CA 3.3Å; E186-L189 VanDerWaalsContact O-CB 3.28Å; E186-L189 WeakPolarHBondContact O-CB 3.33Å; E186-L189 PolarHBondContact O-N 2.95Å; E186-R190 PolarHBondContact O-N 3.46Å
187	S	69.6	Low	83	Confident	72 Å²	72	84 Å²	84	50%	0.503	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-67.1	-18	173	80.4	0	0	0	0	112.9	L184 G185 L189	L184-S187 WeakPolarHBondContact O-CA 3.42Å; L184-S187 VanDerWaalsContact O-CB 3.31Å; L184-S187 WeakPolarHBondContact O-CB 3.46Å; L184-S187 PolarHBondContact O-N 3.35Å; L184-S187 PolarHBondContact O-OG 3Å; G185-S187 PolarHBondContact O-N 3.35Å; S187-L189 VanDerWaalsContact C-N 3.27Å
188	A	68.8	Low	83.5	Confident	25 Å²	25	78.1 Å²	78.1	21%	0.207	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-75.3	-12.9	167.7	0	0	0	0	0	113.7	M181 L184 G185 E186 R267	M181-A188 HydrophobicContact CE-CB 4.12Å; L184-A188 HydrophobicContact CB-CB 3.9Å; L184-A188 HydrophobicContact CD2-CB 4.19Å; G185-A188 WeakPolarHBondContact O-CB 3.31Å; G185-A188 PolarHBondContact O-N 3.43Å; G185-A188 VanDerWaalsContact O-N 3.11Å; E186-A188 PolarHBondContact O-N 3.45Å; A188-R267 PolarHBondContact O-NH2 3.18Å
189	L	73.4	Confident	84.1	Confident	115 Å²	115	74.6 Å²	74.6	60%	0.602	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-44.5	175.3	-56.8	177.9	0	0	0	111.2	E186 S187 R267	E186-L189 WeakPolarHBondContact O-CA 3.3Å; E186-L189 VanDerWaalsContact O-CB 3.28Å; E186-L189 WeakPolarHBondContact O-CB 3.33Å; E186-L189 PolarHBondContact O-N 2.95Å; S187-L189 VanDerWaalsContact C-N 3.27Å; L189-R267 VanDerWaalsContact O-CZ 3.23Å; L189-R267 PolarHBondContact O-NE 3.46Å; L189-R267 PolarHBondContact O-NH2 2.65Å
190	R	83.7	Confident	84.1	Confident	94 Å²	94	71.7 Å²	71.7	36%	0.355	35%	0.351	S	S	.	.			trans	-49	144.6	176.5	-59	-167.8	83.4	-167.8	8	111.8	E186 Y242 D243 E246	E186-R190 PolarHBondContact O-N 3.46Å; R190-Y242 HydrophobicContact CB-CD1 3.71Å; R190-Y242 HydrophobicContact CB-CE1 4.19Å; R190-Y242 HydrophobicContact CB-CG 4.27Å; R190-D243 IonicContact CZ-OD1 2.68Å; R190-D243 IonicContact CZ-OD2 2.63Å; R190-D243 IonicContact NH2-OD1 3.6Å; R190-D243 PolarHBondContact NH2-OD1 3.31Å; R190-D243 IonicContact NH2-OD2 3.52Å; R190-D243 PolarHBondContact NH2-OD2 2.92Å; R190-E246 IonicContact NE-OE1 3.74Å
191	F	90.5	Very high	84.2	Confident	35 Å²	35	72.7 Å²	72.7	15%	0.154	36%	0.359	C	S	.	.			trans	-144.2	145.9	-175.8	56.6	-85.9	0	0	0	111.6	V194 A245 E246 V249 R267	F191-V194 HydrophobicContact CE2-CG2 4.2Å; F191-A245 HydrophobicContact CD2-CB 3.9Å; F191-A245 HydrophobicContact CE2-CB 3.92Å; F191-A245 VanDerWaalsContact O-CB 3.25Å; F191-A245 WeakPolarHBondContact O-CB 3.43Å; F191-E246 HydrophobicContact CD1-CG 4.37Å; F191-E246 HydrophobicContact CE1-CG 3.74Å; F191-E246 HydrophobicContact CE2-CG 4.38Å; F191-E246 HydrophobicContact CZ-CB 4.49Å; F191-E246 HydrophobicContact CZ-CG 3.74Å; F191-V249 HydrophobicContact CE2-CG2 3.65Å; F191-V249 HydrophobicContact CZ-CB 4.23Å; F191-V249 HydrophobicContact CZ-CG2 3.78Å; F191-R267 HydrophobicContact CB-CG 3.98Å; F191-R267 HydrophobicContact CD1-CB 4.1Å; F191-R267 HydrophobicContact CD1-CG 3.74Å; F191-R267 HydrophobicContact CD2-CB 4.4Å; F191-R267 HydrophobicContact CD2-CG 4.27Å; F191-R267 HydrophobicContact CE1-CB 4.17Å; F191-R267 HydrophobicContact CE1-CG 4.31Å; F191-R267 HydrophobicContact CE2-CB 4.47Å; F191-R267 HydrophobicContact CG-CB 4.23Å; F191-R267 HydrophobicContact CG-CG 3.72Å; F191-R267 HydrophobicContact CZ-CB 4.36Å
192	K	93.3	Very high	84.4	Confident	54 Å²	54	74.5 Å²	74.5	24%	0.235	37%	0.366	C	S	.	.	S	Bend	trans	-95.1	-25.2	166.6	-73	-174.9	174.1	-145.8	0	112.5	E219 F239 T240 Y242	K192-E219 IonicContact NZ-OE1 3.29Å; K192-E219 PolarHBondContact NZ-OE1 3.14Å; K192-F239 WeakPolarHBondContact CB-O 3.49Å; K192-F239 WeakPolarHBondContact CD-O 3.31Å; K192-F239 WeakPolarHBondContact CG-O 3.37Å; K192-F239 PolarHBondContact O-N 3.49Å; K192-T240 WeakPolarHBondContact CE-O 3.3Å; K192-T240 PolarHBondContact NZ-O 2.87Å; K192-Y242 HydrophobicContact CG-CD1 4.01Å; K192-Y242 HydrophobicContact CG-CE1 3.98Å; K192-Y242 HydrophobicContact CG-CG 4.42Å
193	N	95.4	Very high	84.7	Confident	81 Å²	81	65.6 Å²	65.6	43%	0.433	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.8	-170.1	-55.7	87.4	0	0	0	110.7	I237 S238 A268	N193-I237 CarbonylContact C-O 3.58Å; N193-I237 WeakPolarHBondContact CA-O 3.38Å; N193-S238 WeakPolarHBondContact ND2-CB 3.3Å; N193-S238 PolarHBondContact ND2-OG 2.98Å; N193-S238 VanDerWaalsContact ND2-OG 3.09Å; N193-A268 HydrophobicContact CB-CB 3.73Å; N193-A268 WeakPolarHBondContact O-CB 3.37Å; N193-A268 PolarHBondContact O-N 3.23Å
194	V	96.5	Very high	85.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142.6	174.4	-178.3	0	0	0	0	109.4	F191 V196 F236 I237 F239 A245 A248 V249 V265	F191-V194 HydrophobicContact CE2-CG2 4.2Å; V194-V196 HydrophobicContact CG1-CG2 4.16Å; V194-F236 WeakPolarHBondContact O-CA 3.35Å; V194-I237 HydrophobicContact CB-CB 4.46Å; V194-I237 PolarHBondContact N-O 2.99Å; V194-I237 PolarHBondContact O-N 2.68Å; V194-F239 HydrophobicContact CG2-CD2 4.01Å; V194-F239 HydrophobicContact CG2-CE2 3.86Å; V194-A245 HydrophobicContact CG2-CB 3.77Å; V194-A248 HydrophobicContact CG2-CB 4.47Å; V194-V249 HydrophobicContact CG1-CG2 3.96Å; V194-V249 HydrophobicContact CG2-CG2 4.08Å; V194-V265 HydrophobicContact CG1-CG1 3.4Å
195	Y	96.1	Very high	86	Confident	41 Å²	41	61.6 Å²	61.6	16%	0.161	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	170.6	168.6	-108.2	0	0	0	108.5	K197 F234 G235 F236 Y264 V265 G266	Y195-K197 HydrophobicContact CE1-CB 3.88Å; Y195-K197 HydrophobicContact CE1-CD 4.36Å; Y195-K197 HydrophobicContact CE1-CG 4.32Å; Y195-K197 WeakPolarHBondContact OH-CG 3.49Å; Y195-F234 HydrophobicContact CD2-CD2 4.47Å; Y195-F234 HydrophobicContact CE2-CB 4Å; Y195-F234 AromaticContact CE2-CD2 3.59Å; Y195-F234 HydrophobicContact CE2-CD2 3.59Å; Y195-F234 HydrophobicContact CE2-CE2 4.34Å; Y195-F234 HydrophobicContact CE2-CG 4.11Å; Y195-G235 WeakPolarHBondContact CD2-O 3.27Å; Y195-F236 AromaticContact CD2-CD1 3.99Å; Y195-F236 HydrophobicContact CD2-CD1 3.99Å; Y195-F236 AromaticContact CD2-CE1 3.47Å; Y195-F236 HydrophobicContact CD2-CE1 3.47Å; Y195-F236 VanDerWaalsContact CD2-CE1 3.47Å; Y195-F236 AromaticContact CD2-CZ 3.83Å; Y195-F236 HydrophobicContact CD2-CZ 3.83Å; Y195-F236 HydrophobicContact CE2-CE1 4.3Å; Y195-F236 HydrophobicContact CE2-CZ 4.23Å; Y195-F236 HydrophobicContact CG-CE1 4.21Å; Y195-Y264 HydrophobicContact CD1-CD1 4.17Å; Y195-Y264 AromaticContact CD1-CE1 3.92Å; Y195-Y264 HydrophobicContact CD1-CE1 3.92Å; Y195-Y264 HydrophobicContact CE1-CD1 4.02Å; Y195-Y264 AromaticContact CE1-CE1 3.96Å; Y195-Y264 HydrophobicContact CE1-CE1 3.96Å; Y195-V265 WeakPolarHBondContact O-CA 3.38Å; Y195-G266 PolarHBondContact N-O 3.48Å; Y195-G266 PolarHBondContact O-N 2.91Å
196	V	96.4	Very high	87	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.2	-179.8	-173.8	0	0	0	0	108.4	V194 F199 L208 F212 F234 G235 I237 L263 Y264 V265	V194-V196 HydrophobicContact CG1-CG2 4.16Å; V196-F199 HydrophobicContact CB-CE1 4.16Å; V196-F199 HydrophobicContact CG1-CD1 3.9Å; V196-F199 HydrophobicContact CG1-CE1 3.83Å; V196-L208 HydrophobicContact CG1-CD2 4.01Å; V196-F212 HydrophobicContact CG1-CE2 4.36Å; V196-F212 HydrophobicContact CG1-CZ 4.22Å; V196-F212 HydrophobicContact CG2-CE1 4.15Å; V196-F212 HydrophobicContact CG2-CE2 4.14Å; V196-F212 HydrophobicContact CG2-CZ 3.68Å; V196-F234 CarbonylContact O-C 3.48Å; V196-F234 WeakPolarHBondContact O-CA 3.43Å; V196-F234 WeakPolarHBondContact O-CB 3.3Å; V196-G235 PolarHBondContact N-O 2.7Å; V196-G235 PolarHBondContact O-N 2.98Å; V196-I237 HydrophobicContact CG2-CD1 3.89Å; V196-I237 HydrophobicContact CG2-CG1 4.3Å; V196-L263 HydrophobicContact CG1-CD2 4.2Å; V196-Y264 CarbonylContact C-O 3.52Å; V196-Y264 WeakPolarHBondContact CA-O 3.48Å; V196-V265 HydrophobicContact CG1-CG2 4.29Å; V196-V265 HydrophobicContact CG2-CG1 4.41Å
197	K	94.9	Very high	88.2	Confident	98 Å²	98	62.7 Å²	62.7	43%	0.426	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.4	-176.7	-161.8	-151.2	-179.3	-163.5	0	111.3	Y195 G233 F234 Y264	Y195-K197 HydrophobicContact CE1-CB 3.88Å; Y195-K197 HydrophobicContact CE1-CD 4.36Å; Y195-K197 HydrophobicContact CE1-CG 4.32Å; Y195-K197 WeakPolarHBondContact OH-CG 3.49Å; K197-G233 CarbonylContact C-O 3.46Å; K197-G233 WeakPolarHBondContact CA-O 3.4Å; K197-F234 HydrophobicContact CB-CB 4.16Å; K197-F234 HydrophobicContact CG-CB 3.82Å; K197-Y264 HydrophobicContact CB-CD1 4.19Å; K197-Y264 PolarHBondContact N-O 2.94Å; K197-Y264 PolarHBondContact O-N 2.73Å
198	N	92.9	Very high	89.3	Confident	79 Å²	79	59.3 Å²	59.3	42%	0.422	28%	0.284	S	S	.	.	S	Bend	trans	75	33.2	171.2	-156.7	57.1	0	0	0	114.8	G233 K262	N198-G233 PolarHBondContact N-O 2.8Å; N198-K262 WeakPolarHBondContact CB-O 3.37Å; N198-K262 PolarHBondContact ND2-O 2.8Å
199	F	91.9	Very high	90.6	Very high	9 Å²	9	63.5 Å²	63.5	4%	0.039	30%	0.297	C	S	.	.			trans	-100.5	158.6	172.7	48.7	-95.8	0	0	0	113.3	V196 L203 L208 V223 G233 F234 L257 L263	V196-F199 HydrophobicContact CB-CE1 4.16Å; V196-F199 HydrophobicContact CG1-CD1 3.9Å; V196-F199 HydrophobicContact CG1-CE1 3.83Å; F199-L203 HydrophobicContact CB-CB 4.02Å; F199-L203 HydrophobicContact CB-CD2 3.47Å; F199-L203 VanDerWaalsContact CB-CD2 3.47Å; F199-L203 HydrophobicContact CB-CG 4.39Å; F199-L203 HydrophobicContact CD1-CD2 4.3Å; F199-L203 HydrophobicContact CD2-CB 3.84Å; F199-L203 HydrophobicContact CD2-CD2 4.12Å; F199-L203 HydrophobicContact CD2-CG 4.5Å; F199-L203 HydrophobicContact CG-CB 4.24Å; F199-L203 HydrophobicContact CG-CD2 3.77Å; F199-L208 HydrophobicContact CE1-CD1 4.09Å; F199-L208 HydrophobicContact CE2-CD1 4.26Å; F199-L208 HydrophobicContact CZ-CD1 3.75Å; F199-V223 HydrophobicContact CE2-CG1 4Å; F199-V223 HydrophobicContact CE2-CG2 4.21Å; F199-V223 HydrophobicContact CZ-CG1 4.33Å; F199-V223 HydrophobicContact CZ-CG2 4.26Å; F199-G233 WeakPolarHBondContact O-CA 3.48Å; F199-F234 VanDerWaalsContact CE1-CA 3.48Å; F199-F234 VanDerWaalsContact CZ-CA 3.42Å; F199-L257 HydrophobicContact CB-CD1 3.84Å; F199-L263 HydrophobicContact CB-CD2 3.83Å; F199-L263 HydrophobicContact CD1-CD2 4.18Å
200	E	86.5	Confident	91.6	Very high	37 Å²	37	64.9 Å²	64.9	17%	0.173	30%	0.301	C	S	.	.			trans	-53.8	157.8	167.8	-89.3	55.8	-130.6	0	0	113.7	E202 L203 L257 S259 K261	E200-E202 HydrophobicContact CB-CB 4.29Å; E200-E202 PolarHBondContact O-N 3.07Å; E200-L203 PolarHBondContact O-N 3.33Å; E200-L257 WeakPolarHBondContact OE2-CD1 3.21Å; E200-S259 VanDerWaalsContact OE1-CB 3.3Å; E200-S259 WeakPolarHBondContact OE1-CB 3.36Å; E200-S259 PolarHBondContact OE1-OG 3.02Å; E200-S259 VanDerWaalsContact OE2-CB 3.24Å; E200-S259 WeakPolarHBondContact OE2-CB 3.3Å; E200-S259 PolarHBondContact OE2-OG 2.65Å; E200-K261 WeakPolarHBondContact OE1-CD 3.43Å; E200-K261 WeakPolarHBondContact OE1-CE 3.28Å; E200-K261 IonicContact OE1-NZ 3.2Å; E200-K261 PolarHBondContact OE1-NZ 2.9Å
201	E	85.4	Confident	92	Very high	105 Å²	105	62.3 Å²	62.3	49%	0.491	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.8	171.6	-63.5	171.1	-179.6	0	0	112.6	L203 K230	E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 2.8Å; E201-K230 WeakPolarHBondContact OE1-CE 3.38Å; E201-K230 IonicContact OE1-NZ 3.02Å; E201-K230 PolarHBondContact OE1-NZ 3.36Å; E201-K230 WeakPolarHBondContact OE2-CE 3.48Å; E201-K230 IonicContact OE2-NZ 2.65Å; E201-K230 PolarHBondContact OE2-NZ 2.91Å
202	E	82.2	Confident	92.2	Very high	143 Å²	143	60.7 Å²	60.7	67%	0.668	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.9	176.9	-59.3	177.2	-155.3	0	0	114.6	E200 T204 K207	E200-E202 HydrophobicContact CB-CB 4.29Å; E200-E202 PolarHBondContact O-N 3.07Å; E202-T204 PolarHBondContact O-N 3.01Å; E202-K207 WeakPolarHBondContact O-CD 3.49Å; E202-K207 WeakPolarHBondContact O-CE 3.29Å; E202-K207 PolarHBondContact O-NZ 3.36Å
203	L	86.8	Confident	92.3	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.11	30%	0.298	C	S	.	.			trans	-90.3	90.8	177.2	-160.7	76.8	0	0	0	109.6	F199 E200 E201 K207 L208 L257	F199-L203 HydrophobicContact CB-CB 4.02Å; F199-L203 HydrophobicContact CB-CD2 3.47Å; F199-L203 VanDerWaalsContact CB-CD2 3.47Å; F199-L203 HydrophobicContact CB-CG 4.39Å; F199-L203 HydrophobicContact CD1-CD2 4.3Å; F199-L203 HydrophobicContact CD2-CB 3.84Å; F199-L203 HydrophobicContact CD2-CD2 4.12Å; F199-L203 HydrophobicContact CD2-CG 4.5Å; F199-L203 HydrophobicContact CG-CB 4.24Å; F199-L203 HydrophobicContact CG-CD2 3.77Å; E200-L203 PolarHBondContact O-N 3.33Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 2.8Å; L203-K207 HydrophobicContact CD1-CB 3.72Å; L203-K207 HydrophobicContact CD1-CD 4.09Å; L203-K207 HydrophobicContact CG-CB 4.33Å; L203-L208 HydrophobicContact CD2-CD2 3.56Å; L203-L208 HydrophobicContact CD2-CG 3.91Å; L203-L208 HydrophobicContact CG-CD2 4.28Å; L203-L208 HydrophobicContact CG-CG 4.11Å; L203-L257 HydrophobicContact CD2-CD2 4.48Å
204	T	90.7	Very high	92.3	Very high	51 Å²	51	63.1 Å²	63.1	31%	0.313	30%	0.302	S	S	.	.			trans	-78.4	173	-176.8	68.2	0	0	0	0	112.8	E202 E206 K207 L208	E202-T204 PolarHBondContact O-N 3.01Å; T204-E206 WeakPolarHBondContact CB-OE2 2.78Å; T204-E206 PolarHBondContact O-N 3.26Å; T204-E206 PolarHBondContact OG1-OE2 3.06Å; T204-K207 PolarHBondContact O-N 3.34Å; T204-L208 PolarHBondContact O-N 3.08Å
205	E	93	Very high	92.2	Very high	37 Å²	37	63.3 Å²	63.3	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-51.4	-38.3	172.7	-74.6	86.2	161.4	0	0	112.9	K209 C221 V223 K225	E205-K209 VanDerWaalsContact O-CB 3.29Å; E205-K209 WeakPolarHBondContact O-CB 3.27Å; E205-K209 PolarHBondContact O-N 3.06Å; E205-C221 PolarHBondContact O-SG 3.46Å; E205-V223 HydrophobicContact CG-CB 4.18Å; E205-V223 HydrophobicContact CG-CG2 4Å; E205-V223 PolarHBondContact OE1-N 3.46Å; E205-K225 IonicContact OE1-NZ 2.89Å; E205-K225 PolarHBondContact OE1-NZ 3.16Å; E205-K225 IonicContact OE2-NZ 2.63Å; E205-K225 PolarHBondContact OE2-NZ 3.49Å
206	E	93.2	Very high	92.1	Very high	126 Å²	126	62.6 Å²	62.6	59%	0.589	31%	0.308	S	S	*	.	H	α-helix	trans	-69.5	-51.7	-178.9	-57.2	69.9	-147.8	0	0	111	T204 L208 K209 E210	T204-E206 WeakPolarHBondContact CB-OE2 2.78Å; T204-E206 PolarHBondContact O-N 3.26Å; T204-E206 PolarHBondContact OG1-OE2 3.06Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 3.35Å; E206-K209 WeakPolarHBondContact O-CB 2.92Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-E210 PolarHBondContact O-N 3.03Å
207	K	91.9	Very high	92.1	Very high	94 Å²	94	67.1 Å²	67.1	41%	0.409	34%	0.336	S	S	.	.	H	α-helix	trans	-61.3	-37.9	178.1	-67.1	-176.6	-177.1	172.3	0	111.9	E202 L203 T204 L211	E202-K207 WeakPolarHBondContact O-CD 3.49Å; E202-K207 WeakPolarHBondContact O-CE 3.29Å; E202-K207 PolarHBondContact O-NZ 3.36Å; L203-K207 HydrophobicContact CD1-CB 3.72Å; L203-K207 HydrophobicContact CD1-CD 4.09Å; L203-K207 HydrophobicContact CG-CB 4.33Å; T204-K207 PolarHBondContact O-N 3.34Å; K207-L211 VanDerWaalsContact O-CB 3.26Å; K207-L211 WeakPolarHBondContact O-CB 3.45Å; K207-L211 PolarHBondContact O-N 3.17Å
208	L	92.7	Very high	92.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-43.3	171.7	-83	175.5	0	0	0	112	V196 F199 L203 T204 E206 E210 F212 V223	V196-L208 HydrophobicContact CG1-CD2 4.01Å; F199-L208 HydrophobicContact CE1-CD1 4.09Å; F199-L208 HydrophobicContact CE2-CD1 4.26Å; F199-L208 HydrophobicContact CZ-CD1 3.75Å; L203-L208 HydrophobicContact CD2-CD2 3.56Å; L203-L208 HydrophobicContact CD2-CG 3.91Å; L203-L208 HydrophobicContact CG-CD2 4.28Å; L203-L208 HydrophobicContact CG-CG 4.11Å; T204-L208 PolarHBondContact O-N 3.08Å; E206-L208 VanDerWaalsContact C-N 3.3Å; E206-L208 PolarHBondContact O-N 3.35Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 2.85Å; L208-F212 HydrophobicContact CD2-CD2 4.21Å; L208-F212 HydrophobicContact CD2-CE2 3.89Å; L208-F212 WeakPolarHBondContact O-CB 3.47Å; L208-F212 WeakPolarHBondContact O-CD2 3.39Å; L208-F212 PolarHBondContact O-N 3.29Å; L208-F212 VanDerWaalsContact O-N 3.07Å; L208-V223 HydrophobicContact CD1-CG2 3.64Å
209	K	94.9	Very high	92.3	Very high	112 Å²	112	64.3 Å²	64.3	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-41.2	178.9	-172.2	179	-179.7	-176.9	0	111.3	E205 E206 S213 I218 C221	E205-K209 VanDerWaalsContact O-CB 3.29Å; E205-K209 WeakPolarHBondContact O-CB 3.27Å; E205-K209 PolarHBondContact O-N 3.06Å; E206-K209 WeakPolarHBondContact O-CB 2.92Å; E206-K209 PolarHBondContact O-N 2.95Å; K209-S213 WeakPolarHBondContact O-CA 3.24Å; K209-S213 VanDerWaalsContact O-CB 3.22Å; K209-S213 WeakPolarHBondContact O-CB 3.37Å; K209-S213 PolarHBondContact O-N 3.44Å; K209-I218 HydrophobicContact CG-CD1 4.04Å; K209-I218 HydrophobicContact CG-CG2 4.48Å; K209-C221 HydrophobicContact CB-CB 4.31Å
210	E	94	Very high	92.4	Very high	144 Å²	144	66.5 Å²	66.5	67%	0.673	34%	0.338	S	S	*	.	H	α-helix	trans	-59.5	-59.3	173.6	-177.6	176.5	-166.3	0	0	111.2	E206 L208 F212 S213	E206-E210 PolarHBondContact O-N 3.03Å; L208-E210 VanDerWaalsContact C-N 3.34Å; L208-E210 PolarHBondContact O-N 2.85Å; E210-F212 PolarHBondContact O-N 3.28Å; E210-F212 VanDerWaalsContact O-N 3.12Å; E210-S213 WeakPolarHBondContact O-CB 3.46Å; E210-S213 PolarHBondContact O-N 2.97Å; E210-S213 PolarHBondContact O-OG 3.11Å
211	L	92.8	Very high	92.9	Very high	41 Å²	41	65.9 Å²	65.9	22%	0.215	34%	0.338	C	S	.	.	H	α-helix	trans	-56.9	-31.8	-176.9	-177.2	63.7	0	0	0	113.8	K207 K214 M252 Y255 L263	K207-L211 VanDerWaalsContact O-CB 3.26Å; K207-L211 WeakPolarHBondContact O-CB 3.45Å; K207-L211 PolarHBondContact O-N 3.17Å; L211-K214 WeakPolarHBondContact O-CE 3.19Å; L211-M252 HydrophobicContact CD1-CE 3.89Å; L211-M252 HydrophobicContact CD2-CE 3.75Å; L211-M252 HydrophobicContact CG-CE 3.68Å; L211-Y255 HydrophobicContact CD1-CE1 4.46Å; L211-L263 HydrophobicContact CD2-CD1 4.17Å
212	F	95.5	Very high	93.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-97.9	-11	179.5	-77.7	-100.3	0	0	0	114.2	V196 L208 E210 K214 F215 I218 I237 F239 A248 M252 V265	V196-F212 HydrophobicContact CG1-CE2 4.36Å; V196-F212 HydrophobicContact CG1-CZ 4.22Å; V196-F212 HydrophobicContact CG2-CE1 4.15Å; V196-F212 HydrophobicContact CG2-CE2 4.14Å; V196-F212 HydrophobicContact CG2-CZ 3.68Å; L208-F212 HydrophobicContact CD2-CD2 4.21Å; L208-F212 HydrophobicContact CD2-CE2 3.89Å; L208-F212 WeakPolarHBondContact O-CB 3.47Å; L208-F212 WeakPolarHBondContact O-CD2 3.39Å; L208-F212 PolarHBondContact O-N 3.29Å; L208-F212 VanDerWaalsContact O-N 3.07Å; E210-F212 PolarHBondContact O-N 3.28Å; E210-F212 VanDerWaalsContact O-N 3.12Å; F212-K214 PolarHBondContact O-N 3.03Å; F212-F215 HydrophobicContact CB-CD2 4.37Å; F212-F215 HydrophobicContact CD1-CD2 4.07Å; F212-F215 HydrophobicContact CD1-CE2 4.11Å; F212-F215 VanDerWaalsContact O-CD2 3.29Å; F212-F215 WeakPolarHBondContact O-CD2 3.49Å; F212-F215 PolarHBondContact O-N 3.45Å; F212-I218 HydrophobicContact CB-CD1 3.91Å; F212-I237 HydrophobicContact CB-CD1 3.8Å; F212-I237 HydrophobicContact CD1-CD1 3.78Å; F212-I237 HydrophobicContact CD2-CD1 3.59Å; F212-I237 HydrophobicContact CE1-CD1 4.24Å; F212-I237 HydrophobicContact CE2-CD1 4.06Å; F212-I237 HydrophobicContact CG-CD1 3.43Å; F212-I237 VanDerWaalsContact CG-CD1 3.43Å; F212-I237 HydrophobicContact CZ-CD1 4.36Å; F212-F239 HydrophobicContact CB-CZ 4.12Å; F212-F239 HydrophobicContact CD1-CZ 4.24Å; F212-A248 HydrophobicContact CD1-CB 4Å; F212-A248 HydrophobicContact CE1-CB 4.27Å; F212-M252 HydrophobicContact CD1-CG 4.2Å; F212-M252 HydrophobicContact CE1-CB 3.77Å; F212-M252 HydrophobicContact CE1-CG 3.66Å; F212-M252 HydrophobicContact CE2-CE 4.49Å; F212-M252 HydrophobicContact CZ-CB 3.73Å; F212-M252 HydrophobicContact CZ-CG 3.85Å; F212-V265 HydrophobicContact CE1-CG1 4.01Å; F212-V265 HydrophobicContact CZ-CG1 4.25Å; F212-V265 HydrophobicContact CZ-CG2 4.05Å
213	S	94.9	Very high	93.9	Very high	68 Å²	68	58.7 Å²	58.7	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-31.3	-178.3	62.5	0	0	0	0	113.5	K209 E210 F215 G216	K209-S213 WeakPolarHBondContact O-CA 3.24Å; K209-S213 VanDerWaalsContact O-CB 3.22Å; K209-S213 WeakPolarHBondContact O-CB 3.37Å; K209-S213 PolarHBondContact O-N 3.44Å; E210-S213 WeakPolarHBondContact O-CB 3.46Å; E210-S213 PolarHBondContact O-N 2.97Å; E210-S213 PolarHBondContact O-OG 3.11Å; S213-F215 PolarHBondContact O-N 2.89Å; S213-G216 PolarHBondContact O-N 3.28Å; S213-G216 VanDerWaalsContact O-N 3.07Å
214	K	95.2	Very high	94.3	Very high	118 Å²	118	60.8 Å²	60.8	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-20.1	176.9	59.5	168.2	176.7	150.8	0	114.8	L211 F212	L211-K214 WeakPolarHBondContact O-CE 3.19Å; F212-K214 PolarHBondContact O-N 3.03Å
215	F	95.4	Very high	94.4	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.018	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-19.9	178.9	-59.5	-65.7	0	0	0	114	F212 S213 F239 A244 R247 A248 E251 M252	F212-F215 HydrophobicContact CB-CD2 4.37Å; F212-F215 HydrophobicContact CD1-CD2 4.07Å; F212-F215 HydrophobicContact CD1-CE2 4.11Å; F212-F215 VanDerWaalsContact O-CD2 3.29Å; F212-F215 WeakPolarHBondContact O-CD2 3.49Å; F212-F215 PolarHBondContact O-N 3.45Å; S213-F215 PolarHBondContact O-N 2.89Å; F215-F239 HydrophobicContact CB-CE1 3.85Å; F215-F239 HydrophobicContact CB-CZ 3.99Å; F215-F239 HydrophobicContact CD2-CZ 4.37Å; F215-A244 WeakPolarHBondContact O-CA 3.16Å; F215-A244 WeakPolarHBondContact O-CB 3.28Å; F215-R247 HydrophobicContact CD1-CB 4.05Å; F215-R247 PolarHBondContact O-NH2 3.35Å; F215-A248 HydrophobicContact CB-CB 4.08Å; F215-A248 HydrophobicContact CD1-CB 4.34Å; F215-A248 HydrophobicContact CD2-CB 3.58Å; F215-A248 HydrophobicContact CE2-CB 4.11Å; F215-A248 HydrophobicContact CG-CB 3.72Å; F215-E251 HydrophobicContact CE1-CB 3.75Å; F215-E251 HydrophobicContact CE1-CG 4.16Å; F215-E251 WeakPolarHBondContact CE1-OE2 3.36Å; F215-E251 HydrophobicContact CZ-CB 3.84Å; F215-M252 HydrophobicContact CD2-CG 4.48Å; F215-M252 HydrophobicContact CE2-CG 3.29Å; F215-M252 HydrophobicContact CE2-SD 3.75Å; F215-M252 HydrophobicContact CZ-CG 3.42Å; F215-M252 VanDerWaalsContact CZ-CG 3.42Å; F215-M252 HydrophobicContact CZ-SD 3.64Å
216	G	93.7	Very high	94.3	Very high	26 Å²	26	63.8 Å²	63.8	27%	0.268	33%	0.328	S	S	.	.	S	Bend	trans	145.8	177.7	-177	0	0	0	0	0	112.9	S213 I218	S213-G216 PolarHBondContact O-N 3.28Å; S213-G216 VanDerWaalsContact O-N 3.07Å; G216-I218 PolarHBondContact O-N 3.26Å
217	T	96	Very high	94.3	Very high	95 Å²	95	67 Å²	67	58%	0.583	34%	0.343	S	S	*	.			trans	-62	127.4	-176.2	-53.5	0	0	0	0	111.7	F239 T240	T217-F239 CarbonylContact O-C 3.49Å; T217-F239 WeakPolarHBondContact O-CA 3.24Å; T217-T240 WeakPolarHBondContact CB-OG1 3.3Å; T217-T240 WeakPolarHBondContact CG2-OG1 3.46Å; T217-T240 PolarHBondContact O-N 3.41Å; T217-T240 PolarHBondContact O-OG1 3.33Å
218	I	96.1	Very high	94.2	Very high	19 Å²	19	70.7 Å²	70.7	10%	0.097	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	112.8	177.6	-66.6	171	0	0	0	109.4	K209 F212 G216 S220 C221 I237 S238 F239	K209-I218 HydrophobicContact CG-CD1 4.04Å; K209-I218 HydrophobicContact CG-CG2 4.48Å; F212-I218 HydrophobicContact CB-CD1 3.91Å; G216-I218 PolarHBondContact O-N 3.26Å; I218-S220 VanDerWaalsContact CG2-O 3.28Å; I218-S220 WeakPolarHBondContact CG2-O 3.27Å; I218-C221 HydrophobicContact CG2-CB 4.3Å; I218-I237 HydrophobicContact CD1-CG2 3.93Å; I218-I237 HydrophobicContact CG1-CG2 3.91Å; I218-I237 HydrophobicContact CG2-CG2 3.85Å; I218-S238 CarbonylContact C-O 3.55Å; I218-S238 WeakPolarHBondContact CA-O 3.23Å; I218-F239 HydrophobicContact CD1-CE1 4.18Å; I218-F239 HydrophobicContact CD1-CZ 4.46Å; I218-F239 HydrophobicContact CG1-CD1 3.87Å; I218-F239 HydrophobicContact CG1-CE1 3.61Å; I218-F239 HydrophobicContact CG1-CZ 4.22Å
219	E	95	Very high	93.9	Very high	99 Å²	99	72.9 Å²	72.9	46%	0.463	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-38.8	172.6	-59.9	170.9	159.1	0	0	111.3	K192 S238	K192-E219 IonicContact NZ-OE1 3.29Å; K192-E219 PolarHBondContact NZ-OE1 3.14Å; E219-S238 PolarHBondContact N-O 3.02Å; E219-S238 PolarHBondContact OE2-OG 3.44Å
220	S	94.9	Very high	93.6	Very high	55 Å²	55	72.6 Å²	72.6	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	147.2	177.6	52	0	0	0	0	112.8	I218 I237 S238	I218-S220 VanDerWaalsContact CG2-O 3.28Å; I218-S220 WeakPolarHBondContact CG2-O 3.27Å; S220-I237 CarbonylContact O-C 3.59Å; S220-I237 WeakPolarHBondContact O-CA 3.36Å; S220-S238 PolarHBondContact N-O 3.16Å; S220-S238 PolarHBondContact O-N 3.39Å; S220-S238 VanDerWaalsContact OG-CB 3.3Å; S220-S238 WeakPolarHBondContact OG-CB 3.2Å
221	C	96	Very high	93.5	Very high	24 Å²	24	66.3 Å²	66.3	16%	0.162	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.7	171.4	179.5	0	0	0	0	107.7	E205 K209 I218 F236	E205-C221 PolarHBondContact O-SG 3.46Å; K209-C221 HydrophobicContact CB-CB 4.31Å; I218-C221 HydrophobicContact CG2-CB 4.3Å; C221-F236 WeakPolarHBondContact CA-O 3.37Å
222	I	94.7	Very high	93.5	Very high	92 Å²	92	71.5 Å²	71.5	47%	0.472	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.2	-179.4	-55.8	179.5	0	0	0	109.6	M224 G235 F236	I222-M224 HydrophobicContact CG2-SD 4.13Å; I222-G235 CarbonylContact O-C 3.42Å; I222-G235 WeakPolarHBondContact O-CA 3.09Å; I222-F236 PolarHBondContact N-O 2.87Å; I222-F236 PolarHBondContact O-N 3.47Å
223	V	95.2	Very high	93.3	Very high	6 Å²	6	72 Å²	72	4%	0.036	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.5	167.5	174.5	0	0	0	0	108.5	F199 E205 L208 K225 S231	F199-V223 HydrophobicContact CE2-CG1 4Å; F199-V223 HydrophobicContact CE2-CG2 4.21Å; F199-V223 HydrophobicContact CZ-CG1 4.33Å; F199-V223 HydrophobicContact CZ-CG2 4.26Å; E205-V223 HydrophobicContact CG-CB 4.18Å; E205-V223 HydrophobicContact CG-CG2 4Å; E205-V223 PolarHBondContact OE1-N 3.46Å; L208-V223 HydrophobicContact CD1-CG2 3.64Å; V223-K225 HydrophobicContact CG1-CG 4.42Å; V223-K225 PolarHBondContact O-N 2.93Å; V223-S231 WeakPolarHBondContact CG1-OG 3.21Å
224	M	94.3	Very high	93.3	Very high	65 Å²	65	70.7 Å²	70.7	32%	0.32	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	111	178.2	-64.7	-54.5	-50.6	0	0	109.7	I222 R232 F234 F236	I222-M224 HydrophobicContact CG2-SD 4.13Å; M224-R232 WeakPolarHBondContact O-CB 3.26Å; M224-R232 VanDerWaalsContact O-CG 3.26Å; M224-R232 WeakPolarHBondContact O-CG 3.36Å; M224-R232 PolarHBondContact O-N 3.45Å; M224-F234 HydrophobicContact CB-CD1 4.48Å; M224-F234 HydrophobicContact CB-CD2 3.86Å; M224-F234 HydrophobicContact CB-CE1 4.15Å; M224-F234 HydrophobicContact CB-CE2 3.55Å; M224-F234 HydrophobicContact CB-CG 4.36Å; M224-F234 HydrophobicContact CB-CZ 3.69Å; M224-F234 HydrophobicContact CG-CD2 3.76Å; M224-F234 HydrophobicContact CG-CE2 3.37Å; M224-F234 HydrophobicContact CG-CZ 3.98Å; M224-F234 PolarHBondContact N-O 3.3Å; M224-F236 HydrophobicContact CG-CD2 4.1Å; M224-F236 HydrophobicContact CG-CE2 3.85Å; M224-F236 HydrophobicContact SD-CD2 4.25Å; M224-F236 HydrophobicContact SD-CE2 4.21Å
225	K	93.6	Very high	93.3	Very high	89 Å²	89	65.1 Å²	65.1	39%	0.387	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	163.8	179.4	-70.1	158.4	179.5	154.4	0	111.8	E205 V223 G229 K230 R232	E205-K225 IonicContact OE1-NZ 2.89Å; E205-K225 PolarHBondContact OE1-NZ 3.16Å; E205-K225 IonicContact OE2-NZ 2.63Å; E205-K225 PolarHBondContact OE2-NZ 3.49Å; V223-K225 HydrophobicContact CG1-CG 4.42Å; V223-K225 PolarHBondContact O-N 2.93Å; K225-G229 WeakPolarHBondContact CG-O 3.48Å; K225-K230 CarbonylContact C-O 3.53Å; K225-K230 WeakPolarHBondContact CA-O 3.29Å; K225-R232 WeakPolarHBondContact O-CD 3.35Å
226	D	91.3	Very high	93.4	Very high	62 Å²	62	67.8 Å²	67.8	33%	0.332	35%	0.351	S	S	.	.			trans	-93.4	-172.1	174.6	72.7	9.5	0	0	0	112.5	H228 G229 K230 R232	D226-H228 PolarHBondContact O-N 3.25Å; D226-H228 WeakPolarHBondContact OD1-CA 3.21Å; D226-H228 WeakPolarHBondContact OD1-CB 3.25Å; D226-H228 PolarHBondContact OD1-N 3.47Å; D226-G229 PolarHBondContact O-N 3.3Å; D226-G229 VanDerWaalsContact O-N 3.08Å; D226-G229 PolarHBondContact OD1-N 3.16Å; D226-G229 VanDerWaalsContact OD1-N 3.11Å; D226-K230 PolarHBondContact N-O 3.2Å; D226-K230 WeakPolarHBondContact OD1-CB 3.46Å; D226-K230 PolarHBondContact OD1-N 2.9Å; D226-K230 WeakPolarHBondContact OD2-CB 3.37Å; D226-R232 HydrophobicContact CB-CG 3.99Å
227	E	93.3	Very high	93.5	Very high	193 Å²	193	66.6 Å²	66.6	90%	0.902	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.6	-179.2	-64.4	177	-174.7	0	0	113.4
228	H	89.4	Confident	93.5	Very high	171 Å²	171	62.5 Å²	62.5	79%	0.792	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	5.5	174.1	-53.9	-53	0	0	0	112.4	D226 K230	D226-H228 PolarHBondContact O-N 3.25Å; D226-H228 WeakPolarHBondContact OD1-CA 3.21Å; D226-H228 WeakPolarHBondContact OD1-CB 3.25Å; D226-H228 PolarHBondContact OD1-N 3.47Å; H228-K230 VanDerWaalsContact C-N 3.26Å; H228-K230 PolarHBondContact O-N 3.04Å
229	G	87	Confident	93.6	Very high	47 Å²	47	61.6 Å²	61.6	49%	0.485	31%	0.308	S	S	.	.	S	Bend	trans	78.4	2.7	-176	0	0	0	0	0	114.6	K225 D226	K225-G229 WeakPolarHBondContact CG-O 3.48Å; D226-G229 PolarHBondContact O-N 3.3Å; D226-G229 VanDerWaalsContact O-N 3.08Å; D226-G229 PolarHBondContact OD1-N 3.16Å; D226-G229 VanDerWaalsContact OD1-N 3.11Å
230	K	87.8	Confident	93.6	Very high	106 Å²	106	59.3 Å²	59.3	46%	0.461	30%	0.301	S	S	.	.			trans	-71.7	137.3	-179.4	-139.4	-174.5	-160.2	-133.7	0	110.2	E201 K225 D226 H228 R232	E201-K230 WeakPolarHBondContact OE1-CE 3.38Å; E201-K230 IonicContact OE1-NZ 3.02Å; E201-K230 PolarHBondContact OE1-NZ 3.36Å; E201-K230 WeakPolarHBondContact OE2-CE 3.48Å; E201-K230 IonicContact OE2-NZ 2.65Å; E201-K230 PolarHBondContact OE2-NZ 2.91Å; K225-K230 CarbonylContact C-O 3.53Å; K225-K230 WeakPolarHBondContact CA-O 3.29Å; D226-K230 PolarHBondContact N-O 3.2Å; D226-K230 WeakPolarHBondContact OD1-CB 3.46Å; D226-K230 PolarHBondContact OD1-N 2.9Å; D226-K230 WeakPolarHBondContact OD2-CB 3.37Å; H228-K230 VanDerWaalsContact C-N 3.26Å; H228-K230 PolarHBondContact O-N 3.04Å; K230-R232 PolarHBondContact O-N 3.44Å
231	S	91.5	Very high	93.5	Very high	13 Å²	13	60.6 Å²	60.6	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133.5	175	167.8	0	0	0	0	110.7	V223 G233	V223-S231 WeakPolarHBondContact CG1-OG 3.21Å; S231-G233 PolarHBondContact O-N 3.36Å; S231-G233 PolarHBondContact OG-N 3.3Å
232	R	92.4	Very high	93.3	Very high	149 Å²	149	64.2 Å²	64.2	56%	0.562	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	14.7	178	-58.7	171.5	63.4	173.7	4.7	112.6	M224 K225 D226 K230 F234	M224-R232 WeakPolarHBondContact O-CB 3.26Å; M224-R232 VanDerWaalsContact O-CG 3.26Å; M224-R232 WeakPolarHBondContact O-CG 3.36Å; M224-R232 PolarHBondContact O-N 3.45Å; K225-R232 WeakPolarHBondContact O-CD 3.35Å; D226-R232 HydrophobicContact CB-CG 3.99Å; K230-R232 PolarHBondContact O-N 3.44Å; R232-F234 HydrophobicContact CB-CD1 3.82Å; R232-F234 HydrophobicContact CB-CE1 3.77Å; R232-F234 WeakPolarHBondContact O-CD1 3.24Å; R232-F234 PolarHBondContact O-N 2.82Å
233	G	92.8	Very high	93.3	Very high	12 Å²	12	64 Å²	64	12%	0.124	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	62.9	26.6	-177	0	0	0	0	0	113.7	K197 N198 F199 S231	K197-G233 CarbonylContact C-O 3.46Å; K197-G233 WeakPolarHBondContact CA-O 3.4Å; N198-G233 PolarHBondContact N-O 2.8Å; F199-G233 WeakPolarHBondContact O-CA 3.48Å; S231-G233 PolarHBondContact O-N 3.36Å; S231-G233 PolarHBondContact OG-N 3.3Å
234	F	94.8	Very high	93.3	Very high	40 Å²	40	63.9 Å²	63.9	18%	0.175	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.2	172.6	79.4	-94.3	0	0	0	113.2	Y195 V196 K197 F199 M224 R232 F236	Y195-F234 HydrophobicContact CD2-CD2 4.47Å; Y195-F234 HydrophobicContact CE2-CB 4Å; Y195-F234 AromaticContact CE2-CD2 3.59Å; Y195-F234 HydrophobicContact CE2-CD2 3.59Å; Y195-F234 HydrophobicContact CE2-CE2 4.34Å; Y195-F234 HydrophobicContact CE2-CG 4.11Å; V196-F234 CarbonylContact O-C 3.48Å; V196-F234 WeakPolarHBondContact O-CA 3.43Å; V196-F234 WeakPolarHBondContact O-CB 3.3Å; K197-F234 HydrophobicContact CB-CB 4.16Å; K197-F234 HydrophobicContact CG-CB 3.82Å; F199-F234 VanDerWaalsContact CE1-CA 3.48Å; F199-F234 VanDerWaalsContact CZ-CA 3.42Å; M224-F234 HydrophobicContact CB-CD1 4.48Å; M224-F234 HydrophobicContact CB-CD2 3.86Å; M224-F234 HydrophobicContact CB-CE1 4.15Å; M224-F234 HydrophobicContact CB-CE2 3.55Å; M224-F234 HydrophobicContact CB-CG 4.36Å; M224-F234 HydrophobicContact CB-CZ 3.69Å; M224-F234 HydrophobicContact CG-CD2 3.76Å; M224-F234 HydrophobicContact CG-CE2 3.37Å; M224-F234 HydrophobicContact CG-CZ 3.98Å; M224-F234 PolarHBondContact N-O 3.3Å; R232-F234 HydrophobicContact CB-CD1 3.82Å; R232-F234 HydrophobicContact CB-CE1 3.77Å; R232-F234 WeakPolarHBondContact O-CD1 3.24Å; R232-F234 PolarHBondContact O-N 2.82Å; F234-F236 HydrophobicContact CD2-CE2 4.37Å; F234-F236 HydrophobicContact CE2-CE2 4.15Å; F234-F236 HydrophobicContact CE2-CZ 4.46Å
235	G	95.3	Very high	93.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-178.4	-176.6	0	0	0	0	0	113.2	Y195 V196 I222	Y195-G235 WeakPolarHBondContact CD2-O 3.27Å; V196-G235 PolarHBondContact N-O 2.7Å; V196-G235 PolarHBondContact O-N 2.98Å; I222-G235 CarbonylContact O-C 3.42Å; I222-G235 WeakPolarHBondContact O-CA 3.09Å
236	F	96.7	Very high	93.4	Very high	61 Å²	61	59.1 Å²	59.1	27%	0.268	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.1	179.2	-60.3	-83.4	0	0	0	110.7	V194 Y195 C221 I222 M224 F234 A268	V194-F236 WeakPolarHBondContact O-CA 3.35Å; Y195-F236 AromaticContact CD2-CD1 3.99Å; Y195-F236 HydrophobicContact CD2-CD1 3.99Å; Y195-F236 AromaticContact CD2-CE1 3.47Å; Y195-F236 HydrophobicContact CD2-CE1 3.47Å; Y195-F236 VanDerWaalsContact CD2-CE1 3.47Å; Y195-F236 AromaticContact CD2-CZ 3.83Å; Y195-F236 HydrophobicContact CD2-CZ 3.83Å; Y195-F236 HydrophobicContact CE2-CE1 4.3Å; Y195-F236 HydrophobicContact CE2-CZ 4.23Å; Y195-F236 HydrophobicContact CG-CE1 4.21Å; C221-F236 WeakPolarHBondContact CA-O 3.37Å; I222-F236 PolarHBondContact N-O 2.87Å; I222-F236 PolarHBondContact O-N 3.47Å; M224-F236 HydrophobicContact CG-CD2 4.1Å; M224-F236 HydrophobicContact CG-CE2 3.85Å; M224-F236 HydrophobicContact SD-CD2 4.25Å; M224-F236 HydrophobicContact SD-CE2 4.21Å; F234-F236 HydrophobicContact CD2-CE2 4.37Å; F234-F236 HydrophobicContact CE2-CE2 4.15Å; F234-F236 HydrophobicContact CE2-CZ 4.46Å; F236-A268 HydrophobicContact CD1-CB 3.94Å; F236-A268 HydrophobicContact CE1-CB 4.23Å
237	I	96.7	Very high	93.6	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129	177.1	-56	179.2	0	0	0	107.6	N193 V194 V196 F212 I218 S220 F239	N193-I237 CarbonylContact C-O 3.58Å; N193-I237 WeakPolarHBondContact CA-O 3.38Å; V194-I237 HydrophobicContact CB-CB 4.46Å; V194-I237 PolarHBondContact N-O 2.99Å; V194-I237 PolarHBondContact O-N 2.68Å; V196-I237 HydrophobicContact CG2-CD1 3.89Å; V196-I237 HydrophobicContact CG2-CG1 4.3Å; F212-I237 HydrophobicContact CB-CD1 3.8Å; F212-I237 HydrophobicContact CD1-CD1 3.78Å; F212-I237 HydrophobicContact CD2-CD1 3.59Å; F212-I237 HydrophobicContact CE1-CD1 4.24Å; F212-I237 HydrophobicContact CE2-CD1 4.06Å; F212-I237 HydrophobicContact CG-CD1 3.43Å; F212-I237 VanDerWaalsContact CG-CD1 3.43Å; F212-I237 HydrophobicContact CZ-CD1 4.36Å; I218-I237 HydrophobicContact CD1-CG2 3.93Å; I218-I237 HydrophobicContact CG1-CG2 3.91Å; I218-I237 HydrophobicContact CG2-CG2 3.85Å; S220-I237 CarbonylContact O-C 3.59Å; S220-I237 WeakPolarHBondContact O-CA 3.36Å; I237-F239 HydrophobicContact CG2-CD2 4.16Å; I237-F239 HydrophobicContact CG2-CE2 3.78Å; I237-F239 HydrophobicContact CG2-CZ 4.09Å
238	S	96	Very high	93.8	Very high	8 Å²	8	52.5 Å²	52.5	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.8	171.6	-160.9	0	0	0	0	108.5	N193 I218 E219 S220	N193-S238 WeakPolarHBondContact ND2-CB 3.3Å; N193-S238 PolarHBondContact ND2-OG 2.98Å; N193-S238 VanDerWaalsContact ND2-OG 3.09Å; I218-S238 CarbonylContact C-O 3.55Å; I218-S238 WeakPolarHBondContact CA-O 3.23Å; E219-S238 PolarHBondContact N-O 3.02Å; E219-S238 PolarHBondContact OE2-OG 3.44Å; S220-S238 PolarHBondContact N-O 3.16Å; S220-S238 PolarHBondContact O-N 3.39Å; S220-S238 VanDerWaalsContact OG-CB 3.3Å; S220-S238 WeakPolarHBondContact OG-CB 3.2Å
239	F	96.7	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	152.7	171.9	-72.5	-85.3	0	0	0	111.2	K192 V194 F212 F215 T217 I218 I237 D241 A244 A245 A248	K192-F239 WeakPolarHBondContact CB-O 3.49Å; K192-F239 WeakPolarHBondContact CD-O 3.31Å; K192-F239 WeakPolarHBondContact CG-O 3.37Å; K192-F239 PolarHBondContact O-N 3.49Å; V194-F239 HydrophobicContact CG2-CD2 4.01Å; V194-F239 HydrophobicContact CG2-CE2 3.86Å; F212-F239 HydrophobicContact CB-CZ 4.12Å; F212-F239 HydrophobicContact CD1-CZ 4.24Å; F215-F239 HydrophobicContact CB-CE1 3.85Å; F215-F239 HydrophobicContact CB-CZ 3.99Å; F215-F239 HydrophobicContact CD2-CZ 4.37Å; T217-F239 CarbonylContact O-C 3.49Å; T217-F239 WeakPolarHBondContact O-CA 3.24Å; I218-F239 HydrophobicContact CD1-CE1 4.18Å; I218-F239 HydrophobicContact CD1-CZ 4.46Å; I218-F239 HydrophobicContact CG1-CD1 3.87Å; I218-F239 HydrophobicContact CG1-CE1 3.61Å; I218-F239 HydrophobicContact CG1-CZ 4.22Å; I237-F239 HydrophobicContact CG2-CD2 4.16Å; I237-F239 HydrophobicContact CG2-CE2 3.78Å; I237-F239 HydrophobicContact CG2-CZ 4.09Å; F239-D241 WeakPolarHBondContact CB-O 3.36Å; F239-D241 PolarHBondContact O-N 2.83Å; F239-A244 HydrophobicContact CB-CB 3.95Å; F239-A244 HydrophobicContact CD1-CB 3.65Å; F239-A244 HydrophobicContact CE1-CB 4.32Å; F239-A244 HydrophobicContact CG-CB 3.88Å; F239-A245 HydrophobicContact CB-CB 4.26Å; F239-A245 HydrophobicContact CD2-CB 3.73Å; F239-A245 HydrophobicContact CG-CB 4.32Å; F239-A248 HydrophobicContact CE2-CB 3.65Å; F239-A248 HydrophobicContact CZ-CB 3.73Å
240	T	95	Very high	94.5	Very high	51 Å²	51	50.7 Å²	50.7	31%	0.313	24%	0.236	S	C	.	.	S	Bend	trans	-65	-30	171	-54.9	0	0	0	0	111.4	K192 T217	K192-T240 WeakPolarHBondContact CE-O 3.3Å; K192-T240 PolarHBondContact NZ-O 2.87Å; T217-T240 WeakPolarHBondContact CB-OG1 3.3Å; T217-T240 WeakPolarHBondContact CG2-OG1 3.46Å; T217-T240 PolarHBondContact O-N 3.41Å; T217-T240 PolarHBondContact O-OG1 3.33Å
241	D	93	Very high	94.8	Very high	82 Å²	82	50.8 Å²	50.8	44%	0.439	24%	0.238	S	C	.	.	S	Bend	trans	-120.9	145.8	-173.5	-55.7	-67.4	0	0	0	112.1	F239 A244 A245	F239-D241 WeakPolarHBondContact CB-O 3.36Å; F239-D241 PolarHBondContact O-N 2.83Å; D241-A244 HydrophobicContact CB-CB 4.18Å; D241-A244 PolarHBondContact O-N 2.94Å; D241-A245 PolarHBondContact O-N 3.13Å
242	Y	93	Very high	95	Very high	100 Å²	100	50.1 Å²	50.1	39%	0.392	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-43.5	177.8	-63.8	-82.2	0	0	0	111.4	R190 K192 A244 A245 E246	R190-Y242 HydrophobicContact CB-CD1 3.71Å; R190-Y242 HydrophobicContact CB-CE1 4.19Å; R190-Y242 HydrophobicContact CB-CG 4.27Å; K192-Y242 HydrophobicContact CG-CD1 4.01Å; K192-Y242 HydrophobicContact CG-CE1 3.98Å; K192-Y242 HydrophobicContact CG-CG 4.42Å; Y242-A244 VanDerWaalsContact C-N 3.27Å; Y242-A244 PolarHBondContact O-N 3.21Å; Y242-A245 PolarHBondContact O-N 3.18Å; Y242-A245 VanDerWaalsContact O-N 3.11Å; Y242-E246 PolarHBondContact O-N 2.94Å
243	D	93.6	Very high	95.1	Very high	89 Å²	89	45.6 Å²	45.6	48%	0.476	22%	0.22	S	C	.	.	H	α-helix	trans	-69.4	-24.3	-177.6	-53.7	-71.3	0	0	0	112.9	R190 R247	R190-D243 IonicContact CZ-OD1 2.68Å; R190-D243 IonicContact CZ-OD2 2.63Å; R190-D243 IonicContact NH2-OD1 3.6Å; R190-D243 PolarHBondContact NH2-OD1 3.31Å; R190-D243 IonicContact NH2-OD2 3.52Å; R190-D243 PolarHBondContact NH2-OD2 2.92Å; D243-R247 WeakPolarHBondContact O-CB 3.43Å; D243-R247 VanDerWaalsContact O-CG 3.31Å; D243-R247 WeakPolarHBondContact O-CG 3.22Å; D243-R247 PolarHBondContact O-N 3.32Å; D243-R247 PolarHBondContact O-NE 3.01Å
244	A	95.7	Very high	95.2	Very high	3 Å²	3	49 Å²	49	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-46.4	169.3	0	0	0	0	0	111.3	F215 F239 D241 Y242 A248	F215-A244 WeakPolarHBondContact O-CA 3.16Å; F215-A244 WeakPolarHBondContact O-CB 3.28Å; F239-A244 HydrophobicContact CB-CB 3.95Å; F239-A244 HydrophobicContact CD1-CB 3.65Å; F239-A244 HydrophobicContact CE1-CB 4.32Å; F239-A244 HydrophobicContact CG-CB 3.88Å; D241-A244 HydrophobicContact CB-CB 4.18Å; D241-A244 PolarHBondContact O-N 2.94Å; Y242-A244 VanDerWaalsContact C-N 3.27Å; Y242-A244 PolarHBondContact O-N 3.21Å; A244-A248 VanDerWaalsContact O-CB 3.24Å; A244-A248 WeakPolarHBondContact O-CB 3.44Å; A244-A248 PolarHBondContact O-N 3.09Å
245	A	95.7	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-36.6	178.1	0	0	0	0	0	113.1	F191 V194 F239 D241 Y242 V249	F191-A245 HydrophobicContact CD2-CB 3.9Å; F191-A245 HydrophobicContact CE2-CB 3.92Å; F191-A245 VanDerWaalsContact O-CB 3.25Å; F191-A245 WeakPolarHBondContact O-CB 3.43Å; V194-A245 HydrophobicContact CG2-CB 3.77Å; F239-A245 HydrophobicContact CB-CB 4.26Å; F239-A245 HydrophobicContact CD2-CB 3.73Å; F239-A245 HydrophobicContact CG-CB 4.32Å; D241-A245 PolarHBondContact O-N 3.13Å; Y242-A245 PolarHBondContact O-N 3.18Å; Y242-A245 VanDerWaalsContact O-N 3.11Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 2.79Å; A245-V249 VanDerWaalsContact O-N 3.09Å
246	E	94	Very high	95	Very high	53 Å²	53	57.5 Å²	57.5	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-45.1	178.3	-72.8	174.6	-151.1	0	0	111.5	R190 F191 Y242 V249 Q250	R190-E246 IonicContact NE-OE1 3.74Å; F191-E246 HydrophobicContact CD1-CG 4.37Å; F191-E246 HydrophobicContact CE1-CG 3.74Å; F191-E246 HydrophobicContact CE2-CG 4.38Å; F191-E246 HydrophobicContact CZ-CB 4.49Å; F191-E246 HydrophobicContact CZ-CG 3.74Å; Y242-E246 PolarHBondContact O-N 2.94Å; E246-V249 PolarHBondContact O-N 3.19Å; E246-Q250 WeakPolarHBondContact O-CG 3.48Å; E246-Q250 PolarHBondContact O-N 3.41Å; E246-Q250 VanDerWaalsContact O-N 3.07Å
247	R	96.1	Very high	94.6	Very high	117 Å²	117	55.7 Å²	55.7	44%	0.442	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-42.6	171.3	-70.6	-173.6	-59.4	161.1	3	112.7	F215 D243 V249 Q250 E251	F215-R247 HydrophobicContact CD1-CB 4.05Å; F215-R247 PolarHBondContact O-NH2 3.35Å; D243-R247 WeakPolarHBondContact O-CB 3.43Å; D243-R247 VanDerWaalsContact O-CG 3.31Å; D243-R247 WeakPolarHBondContact O-CG 3.22Å; D243-R247 PolarHBondContact O-N 3.32Å; D243-R247 PolarHBondContact O-NE 3.01Å; R247-V249 PolarHBondContact O-N 3.05Å; R247-Q250 PolarHBondContact O-N 2.98Å; R247-Q250 VanDerWaalsContact O-N 3.09Å; R247-E251 PolarHBondContact O-N 3.3Å
248	A	96.8	Very high	94	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-36	176.5	0	0	0	0	0	112.8	V194 F212 F215 F239 A244 M252	V194-A248 HydrophobicContact CG2-CB 4.47Å; F212-A248 HydrophobicContact CD1-CB 4Å; F212-A248 HydrophobicContact CE1-CB 4.27Å; F215-A248 HydrophobicContact CB-CB 4.08Å; F215-A248 HydrophobicContact CD1-CB 4.34Å; F215-A248 HydrophobicContact CD2-CB 3.58Å; F215-A248 HydrophobicContact CE2-CB 4.11Å; F215-A248 HydrophobicContact CG-CB 3.72Å; F239-A248 HydrophobicContact CE2-CB 3.65Å; F239-A248 HydrophobicContact CZ-CB 3.73Å; A244-A248 VanDerWaalsContact O-CB 3.24Å; A244-A248 WeakPolarHBondContact O-CB 3.44Å; A244-A248 PolarHBondContact O-N 3.09Å; A248-M252 VanDerWaalsContact O-CB 3.24Å; A248-M252 WeakPolarHBondContact O-CB 3.44Å; A248-M252 PolarHBondContact O-N 3.07Å
249	V	95.9	Very high	93.4	Very high	30 Å²	30	68.3 Å²	68.3	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-71.5	-41.7	173.6	167.4	0	0	0	0	111.9	F191 V194 A245 E246 R247 N253 V265	F191-V249 HydrophobicContact CE2-CG2 3.65Å; F191-V249 HydrophobicContact CZ-CB 4.23Å; F191-V249 HydrophobicContact CZ-CG2 3.78Å; V194-V249 HydrophobicContact CG1-CG2 3.96Å; V194-V249 HydrophobicContact CG2-CG2 4.08Å; A245-V249 WeakPolarHBondContact O-CG2 3.43Å; A245-V249 PolarHBondContact O-N 2.79Å; A245-V249 VanDerWaalsContact O-N 3.09Å; E246-V249 PolarHBondContact O-N 3.19Å; R247-V249 PolarHBondContact O-N 3.05Å; V249-N253 VanDerWaalsContact O-CB 3.27Å; V249-N253 WeakPolarHBondContact O-CB 3.37Å; V249-N253 PolarHBondContact O-N 3.12Å; V249-V265 HydrophobicContact CG2-CG1 4.19Å
250	Q	94.4	Very high	93	Very high	149 Å²	149	70.1 Å²	70.1	70%	0.696	35%	0.349	S	S	*	.	H	α-helix	trans	-67.6	-43	-178.6	-69.7	171	11.5	0	0	112.9	E246 R247	E246-Q250 WeakPolarHBondContact O-CG 3.48Å; E246-Q250 PolarHBondContact O-N 3.41Å; E246-Q250 VanDerWaalsContact O-N 3.07Å; R247-Q250 PolarHBondContact O-N 2.98Å; R247-Q250 VanDerWaalsContact O-N 3.09Å
251	E	95.3	Very high	92.8	Very high	108 Å²	108	72.1 Å²	72.1	51%	0.505	35%	0.354	S	S	.	.	H	α-helix	trans	-89.6	-28.2	-174.8	-72.4	-178.9	-126.1	0	0	114.6	F215 R247	F215-E251 HydrophobicContact CE1-CB 3.75Å; F215-E251 HydrophobicContact CE1-CG 4.16Å; F215-E251 WeakPolarHBondContact CE1-OE2 3.36Å; F215-E251 HydrophobicContact CZ-CB 3.84Å; R247-E251 PolarHBondContact O-N 3.3Å
252	M	95.8	Very high	92.8	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-99.7	-10.6	-176.8	-57.3	-59.2	-57	0	0	114.5	L211 F212 F215 A248 Y255 L263 V265	L211-M252 HydrophobicContact CD1-CE 3.89Å; L211-M252 HydrophobicContact CD2-CE 3.75Å; L211-M252 HydrophobicContact CG-CE 3.68Å; F212-M252 HydrophobicContact CD1-CG 4.2Å; F212-M252 HydrophobicContact CE1-CB 3.77Å; F212-M252 HydrophobicContact CE1-CG 3.66Å; F212-M252 HydrophobicContact CE2-CE 4.49Å; F212-M252 HydrophobicContact CZ-CB 3.73Å; F212-M252 HydrophobicContact CZ-CG 3.85Å; F215-M252 HydrophobicContact CD2-CG 4.48Å; F215-M252 HydrophobicContact CE2-CG 3.29Å; F215-M252 HydrophobicContact CE2-SD 3.75Å; F215-M252 HydrophobicContact CZ-CG 3.42Å; F215-M252 VanDerWaalsContact CZ-CG 3.42Å; F215-M252 HydrophobicContact CZ-SD 3.64Å; A248-M252 VanDerWaalsContact O-CB 3.24Å; A248-M252 WeakPolarHBondContact O-CB 3.44Å; A248-M252 PolarHBondContact O-N 3.07Å; M252-Y255 HydrophobicContact CE-CD1 3.66Å; M252-Y255 HydrophobicContact CE-CD2 3.69Å; M252-Y255 HydrophobicContact CE-CE1 4.09Å; M252-Y255 HydrophobicContact CE-CE2 4.11Å; M252-Y255 HydrophobicContact CE-CG 3.46Å; M252-Y255 VanDerWaalsContact CE-CG 3.46Å; M252-Y255 WeakPolarHBondContact O-CB 3.47Å; M252-Y255 PolarHBondContact O-N 3.26Å; M252-Y255 HydrophobicContact SD-CD2 4.13Å; M252-Y255 HydrophobicContact SD-CG 4.37Å; M252-L263 HydrophobicContact CE-CD1 4.1Å; M252-V265 HydrophobicContact CB-CB 4.37Å; M252-V265 HydrophobicContact CB-CG1 4.36Å; M252-V265 HydrophobicContact CB-CG2 3.84Å; M252-V265 WeakPolarHBondContact O-CG2 3.25Å
253	N	94.8	Very high	92.9	Very high	53 Å²	53	68.1 Å²	68.1	28%	0.283	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	136.7	172.7	-176.1	70	0	0	0	110.4	V249 Y255 V265	V249-N253 VanDerWaalsContact O-CB 3.27Å; V249-N253 WeakPolarHBondContact O-CB 3.37Å; V249-N253 PolarHBondContact O-N 3.12Å; N253-Y255 PolarHBondContact O-N 2.63Å; N253-V265 HydrophobicContact CB-CB 4.08Å; N253-V265 WeakPolarHBondContact CB-O 3.32Å; N253-V265 PolarHBondContact OD1-N 2.68Å; N253-V265 PolarHBondContact OD1-O 2.99Å
254	D	93.7	Very high	93	Very high	85 Å²	85	69.9 Å²	69.9	46%	0.455	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	8.6	-171.5	-79.6	-86.3	0	0	0	115.3	Q256 K262 L263	D254-Q256 PolarHBondContact O-N 3.29Å; D254-K262 HydrophobicContact CB-CD 4.08Å; D254-K262 WeakPolarHBondContact O-CD 3.35Å; D254-K262 WeakPolarHBondContact OD1-CD 3.43Å; D254-K262 IonicContact OD1-NZ 3.92Å; D254-L263 VanDerWaalsContact CA-O 3.25Å; D254-L263 WeakPolarHBondContact CA-O 3.38Å; D254-L263 PolarHBondContact N-O 3.49Å
255	Y	93.2	Very high	93	Very high	100 Å²	100	69.9 Å²	69.9	39%	0.392	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-59	130.6	174.2	179.5	-86.9	0	0	0	111.2	L211 M252 N253 L257 K262 L263	L211-Y255 HydrophobicContact CD1-CE1 4.46Å; M252-Y255 HydrophobicContact CE-CD1 3.66Å; M252-Y255 HydrophobicContact CE-CD2 3.69Å; M252-Y255 HydrophobicContact CE-CE1 4.09Å; M252-Y255 HydrophobicContact CE-CE2 4.11Å; M252-Y255 HydrophobicContact CE-CG 3.46Å; M252-Y255 VanDerWaalsContact CE-CG 3.46Å; M252-Y255 WeakPolarHBondContact O-CB 3.47Å; M252-Y255 PolarHBondContact O-N 3.26Å; M252-Y255 HydrophobicContact SD-CD2 4.13Å; M252-Y255 HydrophobicContact SD-CG 4.37Å; N253-Y255 PolarHBondContact O-N 2.63Å; Y255-L257 HydrophobicContact CD1-CD2 4.47Å; Y255-L257 HydrophobicContact CE1-CD2 4.42Å; Y255-K262 CarbonylContact O-C 3.47Å; Y255-K262 WeakPolarHBondContact O-CA 3.4Å; Y255-L263 HydrophobicContact CD1-CD1 4.01Å; Y255-L263 PolarHBondContact O-N 3.13Å
256	Q	92.3	Very high	92.9	Very high	118 Å²	118	70.2 Å²	70.2	55%	0.551	34%	0.338	S	S	*	.	B	Isolated β-bridge	trans	-91.5	121.9	-175	-162.3	162.5	16.9	0	0	111.3	D254 G260 K261	D254-Q256 PolarHBondContact O-N 3.29Å; Q256-G260 PolarHBondContact NE2-O 2.82Å; Q256-K261 WeakPolarHBondContact CA-O 3.47Å
257	L	88.7	Confident	92.9	Very high	22 Å²	22	71.5 Å²	71.5	12%	0.115	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-74.3	162.4	170.6	-62	176.7	0	0	0	110.7	F199 E200 L203 Y255 S259 G260 K261 L263	F199-L257 HydrophobicContact CB-CD1 3.84Å; E200-L257 WeakPolarHBondContact OE2-CD1 3.21Å; L203-L257 HydrophobicContact CD2-CD2 4.48Å; Y255-L257 HydrophobicContact CD1-CD2 4.47Å; Y255-L257 HydrophobicContact CE1-CD2 4.42Å; L257-S259 WeakPolarHBondContact CB-OG 3.17Å; L257-S259 PolarHBondContact O-N 3.41Å; L257-S259 VanDerWaalsContact O-N 3.14Å; L257-G260 WeakPolarHBondContact O-CA 3.24Å; L257-G260 PolarHBondContact O-N 3.1Å; L257-K261 PolarHBondContact N-O 3.36Å; L257-L263 HydrophobicContact CD1-CD2 3.88Å; L257-L263 HydrophobicContact CD1-CG 4.44Å; L257-L263 HydrophobicContact CD2-CD1 4.21Å; L257-L263 HydrophobicContact CD2-CD2 4.17Å; L257-L263 HydrophobicContact CD2-CG 4.11Å; L257-L263 HydrophobicContact CG-CD2 4.12Å; L257-L263 HydrophobicContact CG-CG 4.14Å
258	E	84.9	Confident	92.8	Very high	213 Å²	213	67 Å²	67	100%	0.995	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.8	176.3	-61	173.7	164.4	0	0	112.9	G260	E258-G260 PolarHBondContact O-N 2.66Å
259	S	83.9	Confident	92.3	Very high	61 Å²	61	69.6 Å²	69.6	43%	0.427	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-4.4	171.7	62.5	0	0	0	0	114.9	E200 L257 K261	E200-S259 VanDerWaalsContact OE1-CB 3.3Å; E200-S259 WeakPolarHBondContact OE1-CB 3.36Å; E200-S259 PolarHBondContact OE1-OG 3.02Å; E200-S259 VanDerWaalsContact OE2-CB 3.24Å; E200-S259 WeakPolarHBondContact OE2-CB 3.3Å; E200-S259 PolarHBondContact OE2-OG 2.65Å; L257-S259 WeakPolarHBondContact CB-OG 3.17Å; L257-S259 PolarHBondContact O-N 3.41Å; L257-S259 VanDerWaalsContact O-N 3.14Å; S259-K261 PolarHBondContact O-N 3.38Å; S259-K261 PolarHBondContact OG-N 3.48Å
260	G	87.2	Confident	91.9	Very high	39 Å²	39	76 Å²	76	40%	0.402	37%	0.366	S	S	.	.	S	Bend	trans	77.7	-6.6	-172.1	0	0	0	0	0	114.5	Q256 L257 E258	Q256-G260 PolarHBondContact NE2-O 2.82Å; L257-G260 WeakPolarHBondContact O-CA 3.24Å; L257-G260 PolarHBondContact O-N 3.1Å; E258-G260 PolarHBondContact O-N 2.66Å
261	K	90.1	Very high	91.3	Very high	93 Å²	93	76.5 Å²	76.5	40%	0.404	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-72.8	145.9	175.2	-70.3	-173.5	-172.6	144.2	0	111.6	E200 Q256 L257 S259	E200-K261 WeakPolarHBondContact OE1-CD 3.43Å; E200-K261 WeakPolarHBondContact OE1-CE 3.28Å; E200-K261 IonicContact OE1-NZ 3.2Å; E200-K261 PolarHBondContact OE1-NZ 2.9Å; Q256-K261 WeakPolarHBondContact CA-O 3.47Å; L257-K261 PolarHBondContact N-O 3.36Å; S259-K261 PolarHBondContact O-N 3.38Å; S259-K261 PolarHBondContact OG-N 3.48Å
262	K	93.8	Very high	90.6	Very high	97 Å²	97	74.8 Å²	74.8	42%	0.422	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-93.5	129.7	171.7	-66.5	-165.6	170.6	-154.2	0	111.6	N198 D254 Y255	N198-K262 WeakPolarHBondContact CB-O 3.37Å; N198-K262 PolarHBondContact ND2-O 2.8Å; D254-K262 HydrophobicContact CB-CD 4.08Å; D254-K262 WeakPolarHBondContact O-CD 3.35Å; D254-K262 WeakPolarHBondContact OD1-CD 3.43Å; D254-K262 IonicContact OD1-NZ 3.92Å; Y255-K262 CarbonylContact O-C 3.47Å; Y255-K262 WeakPolarHBondContact O-CA 3.4Å
263	L	94.3	Very high	90	Very high	1 Å²	1	78.1 Å²	78.1	1%	0.005	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-64.4	138.8	167.2	-67	-179.3	0	0	0	110.2	V196 F199 L211 M252 D254 Y255 L257 V265	V196-L263 HydrophobicContact CG1-CD2 4.2Å; F199-L263 HydrophobicContact CB-CD2 3.83Å; F199-L263 HydrophobicContact CD1-CD2 4.18Å; L211-L263 HydrophobicContact CD2-CD1 4.17Å; M252-L263 HydrophobicContact CE-CD1 4.1Å; D254-L263 VanDerWaalsContact CA-O 3.25Å; D254-L263 WeakPolarHBondContact CA-O 3.38Å; D254-L263 PolarHBondContact N-O 3.49Å; Y255-L263 HydrophobicContact CD1-CD1 4.01Å; Y255-L263 PolarHBondContact O-N 3.13Å; L257-L263 HydrophobicContact CD1-CD2 3.88Å; L257-L263 HydrophobicContact CD1-CG 4.44Å; L257-L263 HydrophobicContact CD2-CD1 4.21Å; L257-L263 HydrophobicContact CD2-CD2 4.17Å; L257-L263 HydrophobicContact CD2-CG 4.11Å; L257-L263 HydrophobicContact CG-CD2 4.12Å; L257-L263 HydrophobicContact CG-CG 4.14Å; L263-V265 HydrophobicContact CB-CG2 3.98Å
264	Y	95.5	Very high	89.6	Confident	125 Å²	125	80.6 Å²	80.6	49%	0.49	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.8	159.9	171.6	-90.7	0	0	0	108.1	Y195 V196 K197	Y195-Y264 HydrophobicContact CD1-CD1 4.17Å; Y195-Y264 AromaticContact CD1-CE1 3.92Å; Y195-Y264 HydrophobicContact CD1-CE1 3.92Å; Y195-Y264 HydrophobicContact CE1-CD1 4.02Å; Y195-Y264 AromaticContact CE1-CE1 3.96Å; Y195-Y264 HydrophobicContact CE1-CE1 3.96Å; V196-Y264 CarbonylContact C-O 3.52Å; V196-Y264 WeakPolarHBondContact CA-O 3.48Å; K197-Y264 HydrophobicContact CB-CD1 4.19Å; K197-Y264 PolarHBondContact N-O 2.94Å; K197-Y264 PolarHBondContact O-N 2.73Å
265	V	96.3	Very high	89.1	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.018	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.7	-175.8	-172.1	0	0	0	0	108.9	V194 Y195 V196 F212 V249 M252 N253 L263	V194-V265 HydrophobicContact CG1-CG1 3.4Å; Y195-V265 WeakPolarHBondContact O-CA 3.38Å; V196-V265 HydrophobicContact CG1-CG2 4.29Å; V196-V265 HydrophobicContact CG2-CG1 4.41Å; F212-V265 HydrophobicContact CE1-CG1 4.01Å; F212-V265 HydrophobicContact CZ-CG1 4.25Å; F212-V265 HydrophobicContact CZ-CG2 4.05Å; V249-V265 HydrophobicContact CG2-CG1 4.19Å; M252-V265 HydrophobicContact CB-CB 4.37Å; M252-V265 HydrophobicContact CB-CG1 4.36Å; M252-V265 HydrophobicContact CB-CG2 3.84Å; M252-V265 WeakPolarHBondContact O-CG2 3.25Å; N253-V265 HydrophobicContact CB-CB 4.08Å; N253-V265 WeakPolarHBondContact CB-O 3.32Å; N253-V265 PolarHBondContact OD1-N 2.68Å; N253-V265 PolarHBondContact OD1-O 2.99Å; L263-V265 HydrophobicContact CB-CG2 3.98Å
266	G	94.1	Very high	88.6	Confident	7 Å²	7	80 Å²	80	7%	0.072	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	175.4	-177.3	0	0	0	0	0	113.4	Y195 A268	Y195-G266 PolarHBondContact N-O 3.48Å; Y195-G266 PolarHBondContact O-N 2.91Å; G266-A268 PolarHBondContact O-N 2.97Å
267	R	94	Very high	88.3	Confident	80 Å²	80	78.6 Å²	78.6	30%	0.302	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	130.5	175.2	-176.9	-178.8	-157	-126.9	7.5	111.6	A188 L189 F191 Q269 E273	A188-R267 PolarHBondContact O-NH2 3.18Å; L189-R267 VanDerWaalsContact O-CZ 3.23Å; L189-R267 PolarHBondContact O-NE 3.46Å; L189-R267 PolarHBondContact O-NH2 2.65Å; F191-R267 HydrophobicContact CB-CG 3.98Å; F191-R267 HydrophobicContact CD1-CB 4.1Å; F191-R267 HydrophobicContact CD1-CG 3.74Å; F191-R267 HydrophobicContact CD2-CB 4.4Å; F191-R267 HydrophobicContact CD2-CG 4.27Å; F191-R267 HydrophobicContact CE1-CB 4.17Å; F191-R267 HydrophobicContact CE1-CG 4.31Å; F191-R267 HydrophobicContact CE2-CB 4.47Å; F191-R267 HydrophobicContact CG-CB 4.23Å; F191-R267 HydrophobicContact CG-CG 3.72Å; F191-R267 HydrophobicContact CZ-CB 4.36Å; R267-Q269 VanDerWaalsContact C-N 3.35Å; R267-Q269 PolarHBondContact O-N 3.43Å; R267-E273 IonicContact NH1-OE1 2.69Å; R267-E273 PolarHBondContact NH1-OE1 2.92Å
268	A	93.2	Very high	88.2	Confident	23 Å²	23	83.4 Å²	83.4	19%	0.19	42%	0.419	C	S	.	.			trans	-73.4	84.4	175.7	0	0	0	0	0	112	N193 F236 G266	N193-A268 HydrophobicContact CB-CB 3.73Å; N193-A268 WeakPolarHBondContact O-CB 3.37Å; N193-A268 PolarHBondContact O-N 3.23Å; F236-A268 HydrophobicContact CD1-CB 3.94Å; F236-A268 HydrophobicContact CE1-CB 4.23Å; G266-A268 PolarHBondContact O-N 2.97Å
269	Q	87.8	Confident	88.3	Confident	55 Å²	55	79 Å²	79	26%	0.257	40%	0.396	S	S	.	.			trans	-57.4	139.7	177.4	-65.1	-179.1	-16.2	0	0	113.1	R267 E273 R274 E277	R267-Q269 VanDerWaalsContact C-N 3.35Å; R267-Q269 PolarHBondContact O-N 3.43Å; Q269-E273 WeakPolarHBondContact CA-OE2 3.46Å; Q269-E273 HydrophobicContact CB-CG 4.28Å; Q269-E273 HydrophobicContact CG-CG 4.4Å; Q269-R274 HydrophobicContact CB-CB 4.26Å; Q269-R274 PolarHBondContact O-NH2 3.25Å; Q269-E277 PolarHBondContact NE2-OE2 3.43Å
270	K	85.7	Confident	88.6	Confident	164 Å²	164	84.2 Å²	84.2	71%	0.713	41%	0.406	S	S	*	.			trans	-68.4	151.8	174	-70.4	170	-178.2	165.3	0	110.7	A272 E273 R274	K270-A272 VanDerWaalsContact C-N 3.29Å; K270-A272 PolarHBondContact O-N 2.73Å; K270-E273 HydrophobicContact CB-CB 4.32Å; K270-E273 PolarHBondContact N-OE2 2.81Å; K270-E273 WeakPolarHBondContact O-CB 3.35Å; K270-E273 PolarHBondContact O-N 2.64Å; K270-E273 VanDerWaalsContact O-N 3.07Å; K270-R274 PolarHBondContact O-N 3.24Å
271	K	83.6	Confident	88.6	Confident	159 Å²	159	90.3 Å²	90.3	69%	0.691	42%	0.417	S	S	*	.	H	α-helix	trans	-51.6	-45.4	-176.5	-173.2	-177.2	175.3	-176.8	0	112.9	Q275	K271-Q275 WeakPolarHBondContact O-CB 3.49Å; K271-Q275 VanDerWaalsContact O-CG 3.25Å; K271-Q275 WeakPolarHBondContact O-CG 3.08Å; K271-Q275 PolarHBondContact O-N 3.38Å; K271-Q275 PolarHBondContact O-OE1 2.82Å
272	A	79.1	Confident	88.5	Confident	72 Å²	72	93.5 Å²	93.5	60%	0.595	43%	0.428	S	S	*	.	H	α-helix	trans	-70	-34.7	-179.7	0	0	0	0	0	114	K270 A276	K270-A272 VanDerWaalsContact C-N 3.29Å; K270-A272 PolarHBondContact O-N 2.73Å; A272-A276 WeakPolarHBondContact O-CB 3.38Å; A272-A276 PolarHBondContact O-N 2.94Å
273	E	83.9	Confident	88.3	Confident	70 Å²	70	93.6 Å²	93.6	33%	0.327	43%	0.43	S	S	.	.	H	α-helix	trans	-64.5	-52.6	175	173.6	-175	-166.6	0	0	109.7	R267 Q269 K270 Q275 A276 E277	R267-E273 IonicContact NH1-OE1 2.69Å; R267-E273 PolarHBondContact NH1-OE1 2.92Å; Q269-E273 WeakPolarHBondContact CA-OE2 3.46Å; Q269-E273 HydrophobicContact CB-CG 4.28Å; Q269-E273 HydrophobicContact CG-CG 4.4Å; K270-E273 HydrophobicContact CB-CB 4.32Å; K270-E273 PolarHBondContact N-OE2 2.81Å; K270-E273 WeakPolarHBondContact O-CB 3.35Å; K270-E273 PolarHBondContact O-N 2.64Å; K270-E273 VanDerWaalsContact O-N 3.07Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 3.23Å; E273-A276 PolarHBondContact O-N 2.86Å; E273-A276 VanDerWaalsContact O-N 3.13Å; E273-E277 PolarHBondContact O-N 3.38Å
274	R	86	Confident	88	Confident	106 Å²	106	97.9 Å²	97.9	40%	0.4	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-39.8	175.6	-165.6	-173	-47.9	167	7.5	113	Q269 K270 L278	Q269-R274 HydrophobicContact CB-CB 4.26Å; Q269-R274 PolarHBondContact O-NH2 3.25Å; K270-R274 PolarHBondContact O-N 3.24Å; R274-L278 WeakPolarHBondContact O-CB 3.5Å; R274-L278 PolarHBondContact O-N 2.81Å
275	Q	83.5	Confident	87.7	Confident	112 Å²	112	96.1 Å²	96.1	52%	0.523	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-38.3	175.8	-77.9	177.2	-56.5	0	0	112.3	K271 E273 K279	K271-Q275 WeakPolarHBondContact O-CB 3.49Å; K271-Q275 VanDerWaalsContact O-CG 3.25Å; K271-Q275 WeakPolarHBondContact O-CG 3.08Å; K271-Q275 PolarHBondContact O-N 3.38Å; K271-Q275 PolarHBondContact O-OE1 2.82Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 PolarHBondContact O-N 3.23Å; Q275-K279 VanDerWaalsContact O-CB 3.24Å; Q275-K279 WeakPolarHBondContact O-CB 3.15Å; Q275-K279 PolarHBondContact O-N 2.98Å
276	A	83.3	Confident	87.3	Confident	61 Å²	61	100 Å²	100	50%	0.504	47%	0.466	S	S	.	.	H	α-helix	trans	-68.5	-41.6	175.8	0	0	0	0	0	112	A272 E273 K279 R280	A272-A276 WeakPolarHBondContact O-CB 3.38Å; A272-A276 PolarHBondContact O-N 2.94Å; E273-A276 PolarHBondContact O-N 2.86Å; E273-A276 VanDerWaalsContact O-N 3.13Å; A276-K279 PolarHBondContact O-N 3.43Å; A276-R280 WeakPolarHBondContact O-CB 3.44Å; A276-R280 PolarHBondContact O-N 3.27Å
277	E	84.9	Confident	86.8	Confident	88 Å²	88	104.4 Å²	104.4	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-65.4	-47.5	175.1	-166.3	-160.5	141.4	0	0	111.7	Q269 E273 K279 R280 R281	Q269-E277 PolarHBondContact NE2-OE2 3.43Å; E273-E277 PolarHBondContact O-N 3.38Å; E277-K279 VanDerWaalsContact C-N 3.28Å; E277-K279 PolarHBondContact O-N 3.37Å; E277-R280 PolarHBondContact O-N 3.22Å; E277-R280 VanDerWaalsContact O-N 3.13Å; E277-R281 WeakPolarHBondContact O-CB 3.31Å; E277-R281 PolarHBondContact O-N 3.18Å
278	L	86.7	Confident	86.6	Confident	123 Å²	123	106.8 Å²	106.8	64%	0.644	50%	0.501	S	S	*	.	H	α-helix	trans	-60.3	-40	177.5	-177.6	63	0	0	0	111.5	R274 R281 Y282	R274-L278 WeakPolarHBondContact O-CB 3.5Å; R274-L278 PolarHBondContact O-N 2.81Å; L278-R281 PolarHBondContact O-N 2.91Å; L278-Y282 WeakPolarHBondContact O-CB 3.39Å; L278-Y282 PolarHBondContact O-N 2.91Å
279	K	87.6	Confident	86.1	Confident	121 Å²	121	112.4 Å²	112.4	53%	0.526	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-51	172.1	179.2	-177.8	168	-176.9	0	111	Q275 A276 E277 R281 Y282 E283	Q275-K279 VanDerWaalsContact O-CB 3.24Å; Q275-K279 WeakPolarHBondContact O-CB 3.15Å; Q275-K279 PolarHBondContact O-N 2.98Å; A276-K279 PolarHBondContact O-N 3.43Å; E277-K279 VanDerWaalsContact C-N 3.28Å; E277-K279 PolarHBondContact O-N 3.37Å; K279-R281 VanDerWaalsContact C-N 3.33Å; K279-R281 PolarHBondContact O-N 2.8Å; K279-Y282 PolarHBondContact O-N 3.13Å; K279-E283 WeakPolarHBondContact CE-OE1 3.43Å; K279-E283 WeakPolarHBondContact CE-OE2 3.49Å; K279-E283 HydrophobicContact CG-CG 4.39Å; K279-E283 IonicContact NZ-OE1 2.58Å; K279-E283 WeakPolarHBondContact O-CB 3.09Å; K279-E283 WeakPolarHBondContact O-CG 3.39Å; K279-E283 PolarHBondContact O-N 3.37Å
280	R	89.3	Confident	85.8	Confident	169 Å²	169	112.2 Å²	112.2	64%	0.638	52%	0.516	S	S	*	.	H	α-helix	trans	-58	-43	178	-176.4	-176.5	179.1	-134.3	0.2	111.8	A276 E277 E283 L284	A276-R280 WeakPolarHBondContact O-CB 3.44Å; A276-R280 PolarHBondContact O-N 3.27Å; E277-R280 PolarHBondContact O-N 3.22Å; E277-R280 VanDerWaalsContact O-N 3.13Å; R280-E283 PolarHBondContact O-N 2.93Å; R280-L284 HydrophobicContact CG-CD1 4.15Å; R280-L284 WeakPolarHBondContact O-CB 3.36Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.47Å; R280-L284 PolarHBondContact O-N 2.98Å
281	R	88.3	Confident	85.7	Confident	167 Å²	167	110.3 Å²	110.3	63%	0.63	51%	0.51	S	S	*	.	H	α-helix	trans	-66.8	-37.4	178.1	-170.2	173	-178.4	169.2	0.8	112.1	E277 L278 K279 M285	E277-R281 WeakPolarHBondContact O-CB 3.31Å; E277-R281 PolarHBondContact O-N 3.18Å; L278-R281 PolarHBondContact O-N 2.91Å; K279-R281 VanDerWaalsContact C-N 3.33Å; K279-R281 PolarHBondContact O-N 2.8Å; R281-M285 WeakPolarHBondContact O-CB 3.45Å; R281-M285 PolarHBondContact O-N 2.72Å
282	Y	87.1	Confident	85.7	Confident	161 Å²	161	108.8 Å²	108.8	63%	0.631	51%	0.505	S	S	*	.	H	α-helix	trans	-67.6	-41.1	172.3	-179.9	-92	0	0	0	112.2	L278 K279 M285 K286	L278-Y282 WeakPolarHBondContact O-CB 3.39Å; L278-Y282 PolarHBondContact O-N 2.91Å; K279-Y282 PolarHBondContact O-N 3.13Å; Y282-M285 PolarHBondContact O-N 2.94Å; Y282-K286 WeakPolarHBondContact O-CB 3.49Å; Y282-K286 PolarHBondContact O-N 2.63Å
283	E	89	Confident	85.8	Confident	99 Å²	99	110.1 Å²	110.1	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-40.9	176.8	-73.9	173.4	151.7	0	0	111.7	K279 R280 K286 M287	K279-E283 WeakPolarHBondContact CE-OE1 3.43Å; K279-E283 WeakPolarHBondContact CE-OE2 3.49Å; K279-E283 HydrophobicContact CG-CG 4.39Å; K279-E283 IonicContact NZ-OE1 2.58Å; K279-E283 WeakPolarHBondContact O-CB 3.09Å; K279-E283 WeakPolarHBondContact O-CG 3.39Å; K279-E283 PolarHBondContact O-N 3.37Å; R280-E283 PolarHBondContact O-N 2.93Å; E283-K286 WeakPolarHBondContact O-CB 3.38Å; E283-K286 PolarHBondContact O-N 3.31Å; E283-M287 WeakPolarHBondContact O-CB 3.48Å; E283-M287 PolarHBondContact O-N 3.43Å
284	L	89.8	Confident	85.7	Confident	91 Å²	91	109.4 Å²	109.4	48%	0.476	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-48.5	171.4	-73.4	169	0	0	0	111.7	R280 K286 M287 E288	R280-L284 HydrophobicContact CG-CD1 4.15Å; R280-L284 WeakPolarHBondContact O-CB 3.36Å; R280-L284 VanDerWaalsContact O-CG 3.31Å; R280-L284 WeakPolarHBondContact O-CG 3.47Å; R280-L284 PolarHBondContact O-N 2.98Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 2.78Å; L284-M287 WeakPolarHBondContact O-CB 3.24Å; L284-M287 PolarHBondContact O-N 3.32Å; L284-M287 VanDerWaalsContact O-N 3.07Å; L284-E288 WeakPolarHBondContact O-CB 3.38Å; L284-E288 PolarHBondContact O-N 3.12Å
285	M	88.5	Confident	85.8	Confident	88 Å²	88	106 Å²	106	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-30.4	176.3	-173.4	-174.9	-73.3	0	0	112.5	R281 Y282 R289	R281-M285 WeakPolarHBondContact O-CB 3.45Å; R281-M285 PolarHBondContact O-N 2.72Å; Y282-M285 PolarHBondContact O-N 2.94Å; M285-R289 WeakPolarHBondContact O-CB 3.31Å; M285-R289 PolarHBondContact O-N 3.34Å
286	K	86.9	Confident	86.2	Confident	83 Å²	83	101.2 Å²	101.2	36%	0.361	48%	0.478	S	S	.	.	H	α-helix	trans	-65.1	-45.5	170.3	-170.1	-171	-179.1	-166.7	0	109.7	Y282 E283 L284 Q290 E375	Y282-K286 WeakPolarHBondContact O-CB 3.49Å; Y282-K286 PolarHBondContact O-N 2.63Å; E283-K286 WeakPolarHBondContact O-CB 3.38Å; E283-K286 PolarHBondContact O-N 3.31Å; L284-K286 VanDerWaalsContact C-N 3.28Å; L284-K286 PolarHBondContact O-N 2.78Å; K286-Q290 WeakPolarHBondContact O-CB 3.45Å; K286-Q290 WeakPolarHBondContact O-CG 3.31Å; K286-Q290 PolarHBondContact O-N 3.32Å; K286-E375 IonicContact NZ-OE1 3.04Å; K286-E375 PolarHBondContact NZ-OE1 3.18Å; K286-E375 IonicContact NZ-OE2 3.36Å; K286-E375 PolarHBondContact NZ-OE2 2.78Å
287	M	85	Confident	86.7	Confident	101 Å²	101	99.8 Å²	99.8	50%	0.498	46%	0.462	S	S	.	.	H	α-helix	trans	-68.8	-43.7	-178.3	-175	170.3	177.8	0	0	113.1	E283 L284 Q290 Q291	E283-M287 WeakPolarHBondContact O-CB 3.48Å; E283-M287 PolarHBondContact O-N 3.43Å; L284-M287 WeakPolarHBondContact O-CB 3.24Å; L284-M287 PolarHBondContact O-N 3.32Å; L284-M287 VanDerWaalsContact O-N 3.07Å; M287-Q290 CarbonylContact O-C 3.53Å; M287-Q290 VanDerWaalsContact O-CB 3.31Å; M287-Q290 WeakPolarHBondContact O-CB 3.29Å; M287-Q290 PolarHBondContact O-N 2.72Å; M287-Q291 WeakPolarHBondContact O-CG 3.24Å; M287-Q291 PolarHBondContact O-N 2.75Å
288	E	88.5	Confident	87.2	Confident	130 Å²	130	95.6 Å²	95.6	61%	0.607	44%	0.442	S	S	*	.	H	α-helix	trans	-58.8	-53.9	174.4	177.5	-177.2	-147.2	0	0	110.7	L284 Q290 Q291 Q292	L284-E288 WeakPolarHBondContact O-CB 3.38Å; L284-E288 PolarHBondContact O-N 3.12Å; E288-Q290 PolarHBondContact O-N 3.32Å; E288-Q291 PolarHBondContact O-N 3.15Å; E288-Q292 PolarHBondContact O-N 2.94Å
289	R	84.1	Confident	87.6	Confident	140 Å²	140	91.2 Å²	91.2	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-58.6	-35.8	173.9	-168.6	-172.3	-54.9	-167.6	1	112.3	M285 Q291 Y293	M285-R289 WeakPolarHBondContact O-CB 3.31Å; M285-R289 PolarHBondContact O-N 3.34Å; R289-Q291 VanDerWaalsContact C-N 3.34Å; R289-Y293 HydrophobicContact CG-CD2 3.95Å; R289-Y293 HydrophobicContact CG-CE2 3.67Å; R289-Y293 WeakPolarHBondContact O-CD2 3.46Å; R289-Y293 PolarHBondContact O-N 2.88Å
290	Q	80.6	Confident	88	Confident	51 Å²	51	85.5 Å²	85.5	24%	0.238	39%	0.392	C	S	.	.	H	α-helix	trans	-67.3	-31.7	176.5	-92	-179.3	-8	0	0	113.3	K286 M287 E288 R373	K286-Q290 WeakPolarHBondContact O-CB 3.45Å; K286-Q290 WeakPolarHBondContact O-CG 3.31Å; K286-Q290 PolarHBondContact O-N 3.32Å; M287-Q290 CarbonylContact O-C 3.53Å; M287-Q290 VanDerWaalsContact O-CB 3.31Å; M287-Q290 WeakPolarHBondContact O-CB 3.29Å; M287-Q290 PolarHBondContact O-N 2.72Å; E288-Q290 PolarHBondContact O-N 3.32Å; Q290-R373 PolarHBondContact O-NH2 3.36Å
291	Q	83.8	Confident	88.2	Confident	124 Å²	124	82.6 Å²	82.6	58%	0.579	38%	0.384	S	S	*	.	H	α-helix	trans	-79	-43.5	173.4	-70.2	173.8	10.4	0	0	111.1	M287 E288 R289 Y293 A294	M287-Q291 WeakPolarHBondContact O-CG 3.24Å; M287-Q291 PolarHBondContact O-N 2.75Å; E288-Q291 PolarHBondContact O-N 3.15Å; R289-Q291 VanDerWaalsContact C-N 3.34Å; Q291-Y293 PolarHBondContact O-N 3.24Å; Q291-Y293 VanDerWaalsContact O-N 3.11Å; Q291-A294 VanDerWaalsContact O-CB 3.31Å; Q291-A294 WeakPolarHBondContact O-CB 3.25Å; Q291-A294 PolarHBondContact O-N 2.81Å
292	Q	82.9	Confident	88.4	Confident	128 Å²	128	77.9 Å²	77.9	60%	0.598	37%	0.372	S	S	*	.	H	α-helix	trans	-53.1	-34.5	179.2	-171.6	-176.6	28	0	0	113.3	E288 V296	E288-Q292 PolarHBondContact O-N 2.94Å; Q292-V296 WeakPolarHBondContact O-CG2 3.38Å
293	Y	81.6	Confident	88.7	Confident	99 Å²	99	70.3 Å²	70.3	39%	0.388	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.1	178.3	-65.2	-61.3	0	0	0	114.7	R289 Q291 N297 C342	R289-Y293 HydrophobicContact CG-CD2 3.95Å; R289-Y293 HydrophobicContact CG-CE2 3.67Å; R289-Y293 WeakPolarHBondContact O-CD2 3.46Å; R289-Y293 PolarHBondContact O-N 2.88Å; Q291-Y293 PolarHBondContact O-N 3.24Å; Q291-Y293 VanDerWaalsContact O-N 3.11Å; Y293-N297 HydrophobicContact CD1-CB 4.32Å; Y293-N297 WeakPolarHBondContact O-CB 3.2Å; Y293-C342 HydrophobicContact CD1-CB 4.43Å; Y293-C342 VanDerWaalsContact CD1-SG 3.58Å; Y293-C342 HydrophobicContact CE1-CB 4.41Å
294	A	83.2	Confident	88.9	Confident	56 Å²	56	66.6 Å²	66.6	46%	0.463	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	133.7	176.2	0	0	0	0	0	110.6	Q291 V296	Q291-A294 VanDerWaalsContact O-CB 3.31Å; Q291-A294 WeakPolarHBondContact O-CB 3.25Å; Q291-A294 PolarHBondContact O-N 2.81Å; A294-V296 PolarHBondContact O-N 2.86Å
295	G	86.7	Confident	88.9	Confident	33 Å²	33	68.1 Å²	68.1	34%	0.34	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	-39.9	-177.8	0	0	0	0	0	115.1	A349 L370	G295-A349 WeakPolarHBondContact O-CB 3.48Å; G295-L370 VanDerWaalsContact O-CD2 3.27Å; G295-L370 WeakPolarHBondContact O-CD2 3.38Å
296	V	92.8	Very high	89	Confident	13 Å²	13	68.6 Å²	68.6	8%	0.079	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-21	-174.6	-60.9	0	0	0	0	115.4	Q292 A294 C342 F343 P346	Q292-V296 WeakPolarHBondContact O-CG2 3.38Å; A294-V296 PolarHBondContact O-N 2.86Å; V296-C342 VanDerWaalsContact CG2-SG 3.52Å; V296-C342 WeakPolarHBondContact O-CA 3.39Å; V296-F343 PolarHBondContact O-N 3.21Å; V296-P346 HydrophobicContact CG1-CG 4.03Å
297	N	94.1	Very high	89.2	Confident	30 Å²	30	65.3 Å²	65.3	16%	0.16	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.3	-173.6	-170.8	6.2	0	0	0	111.6	Y293 C342 A371	Y293-N297 HydrophobicContact CD1-CB 4.32Å; Y293-N297 WeakPolarHBondContact O-CB 3.2Å; N297-C342 HydrophobicContact CB-CB 4.43Å; N297-A371 HydrophobicContact CB-CB 4.12Å; N297-A371 WeakPolarHBondContact O-CB 3.34Å; N297-A371 PolarHBondContact O-N 2.87Å
298	L	94.8	Very high	89.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	140.7	180	-54.1	-169.8	0	0	0	111.4	F316 F340 V341 F343 A349 A352 V353 V368 A369 L370	L298-F316 HydrophobicContact CD1-CE1 4.27Å; L298-F340 WeakPolarHBondContact O-CA 3.45Å; L298-V341 WeakPolarHBondContact CB-O 3.11Å; L298-V341 PolarHBondContact N-O 2.89Å; L298-V341 PolarHBondContact O-N 2.85Å; L298-F343 HydrophobicContact CD1-CD2 4.24Å; L298-F343 HydrophobicContact CD1-CE2 3.8Å; L298-F343 HydrophobicContact CG-CD2 4.46Å; L298-F343 HydrophobicContact CG-CE2 4.44Å; L298-A349 HydrophobicContact CD2-CB 3.93Å; L298-A349 HydrophobicContact CG-CB 4.37Å; L298-A352 HydrophobicContact CD1-CB 3.69Å; L298-V353 HydrophobicContact CD1-CG2 4.07Å; L298-V353 HydrophobicContact CD2-CG2 3.45Å; L298-V353 VanDerWaalsContact CD2-CG2 3.45Å; L298-V353 HydrophobicContact CG-CG2 4.38Å; L298-V368 HydrophobicContact CB-CG1 4.48Å; L298-V368 HydrophobicContact CD1-CG1 3.84Å; L298-A369 CarbonylContact C-O 3.32Å; L298-A369 WeakPolarHBondContact CA-O 3.5Å; L298-L370 HydrophobicContact CD2-CD2 3.79Å
299	Y	94.5	Very high	89.9	Confident	32 Å²	32	60 Å²	60	13%	0.125	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.9	164.7	174.8	-105.8	0	0	0	108.7	K301 F338 F340 Y367 A369	Y299-K301 HydrophobicContact CD1-CB 4.47Å; Y299-K301 HydrophobicContact CE1-CB 3.7Å; Y299-K301 HydrophobicContact CE1-CD 4.16Å; Y299-K301 HydrophobicContact CE1-CG 4.3Å; Y299-F338 HydrophobicContact CD2-CD2 4.26Å; Y299-F338 HydrophobicContact CE2-CB 4.06Å; Y299-F338 AromaticContact CE2-CD2 3.45Å; Y299-F338 HydrophobicContact CE2-CD2 3.45Å; Y299-F338 VanDerWaalsContact CE2-CD2 3.45Å; Y299-F338 HydrophobicContact CE2-CE2 4.05Å; Y299-F338 AromaticContact CE2-CG 3.93Å; Y299-F338 HydrophobicContact CE2-CG 3.93Å; Y299-F340 HydrophobicContact CD2-CD1 4.42Å; Y299-F340 AromaticContact CD2-CE1 3.77Å; Y299-F340 HydrophobicContact CD2-CE1 3.77Å; Y299-F340 AromaticContact CD2-CZ 3.92Å; Y299-F340 HydrophobicContact CD2-CZ 3.92Å; Y299-F340 HydrophobicContact CG-CE1 4.49Å; Y299-Y367 HydrophobicContact CD1-CD1 4.3Å; Y299-Y367 HydrophobicContact CD1-CE1 4.1Å; Y299-Y367 HydrophobicContact CE1-CD1 4.33Å; Y299-Y367 HydrophobicContact CE1-CE1 4.28Å; Y299-A369 PolarHBondContact N-O 2.93Å; Y299-A369 PolarHBondContact O-N 3.02Å; Y299-A369 VanDerWaalsContact O-N 3.15Å
300	V	95.7	Very high	90.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	124.5	178.4	-172.6	0	0	0	0	108.4	L303 L312 F316 F338 G339 V341 L366 Y367 V368	V300-L303 HydrophobicContact CG1-CD2 3.68Å; V300-L312 HydrophobicContact CB-CD1 4.4Å; V300-L312 HydrophobicContact CG1-CD1 4.2Å; V300-L312 HydrophobicContact CG2-CD1 4.44Å; V300-F316 HydrophobicContact CG1-CE2 4.11Å; V300-F316 HydrophobicContact CG1-CZ 4.02Å; V300-F316 HydrophobicContact CG2-CE1 4.2Å; V300-F316 HydrophobicContact CG2-CE2 4.03Å; V300-F316 HydrophobicContact CG2-CZ 3.61Å; V300-F338 CarbonylContact O-C 3.51Å; V300-F338 WeakPolarHBondContact O-CA 3.46Å; V300-F338 WeakPolarHBondContact O-CB 3.48Å; V300-G339 PolarHBondContact N-O 3.26Å; V300-G339 PolarHBondContact O-N 2.93Å; V300-V341 HydrophobicContact CG2-CG2 3.97Å; V300-L366 HydrophobicContact CG1-CD2 4.02Å; V300-Y367 CarbonylContact C-O 3.57Å; V300-Y367 WeakPolarHBondContact CA-O 3.41Å; V300-V368 HydrophobicContact CG1-CG2 4.4Å
301	K	94.6	Very high	91	Very high	109 Å²	109	63.2 Å²	63.2	47%	0.474	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	163.1	-179.1	-171.2	-167.6	172.5	-163.9	0	110.2	Y299 G337 F338 Y367	Y299-K301 HydrophobicContact CD1-CB 4.47Å; Y299-K301 HydrophobicContact CE1-CB 3.7Å; Y299-K301 HydrophobicContact CE1-CD 4.16Å; Y299-K301 HydrophobicContact CE1-CG 4.3Å; K301-G337 CarbonylContact C-O 3.56Å; K301-F338 HydrophobicContact CB-CB 4.21Å; K301-F338 HydrophobicContact CG-CB 4.18Å; K301-Y367 HydrophobicContact CB-CD1 4.05Å; K301-Y367 PolarHBondContact N-O 2.77Å; K301-Y367 PolarHBondContact O-N 2.89Å
302	N	93.2	Very high	91.5	Very high	68 Å²	68	57.3 Å²	57.3	36%	0.364	29%	0.294	S	S	.	.			trans	70	34.8	-177	-150.8	39.8	0	0	0	112	G337 K364 P365	N302-G337 PolarHBondContact N-O 3.21Å; N302-K364 VanDerWaalsContact O-CB 3.31Å; N302-K364 WeakPolarHBondContact O-CB 3.42Å; N302-P365 WeakPolarHBondContact CB-O 3.38Å; N302-P365 PolarHBondContact ND2-O 3.4Å
303	L	93.5	Very high	92.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.284	C	S	.	.			trans	-62.8	145.2	169.5	-59.4	-179.3	0	0	0	110	V300 I307 L312 V327 G337 K364 L366	V300-L303 HydrophobicContact CG1-CD2 3.68Å; L303-I307 HydrophobicContact CB-CB 4.32Å; L303-I307 HydrophobicContact CD1-CG2 4.46Å; L303-I307 HydrophobicContact CD2-CG2 4.27Å; L303-L312 HydrophobicContact CD2-CD1 4.07Å; L303-V327 HydrophobicContact CD1-CG1 4.08Å; L303-V327 HydrophobicContact CD1-CG2 3.93Å; L303-G337 PolarHBondContact N-O 3.09Å; L303-G337 VanDerWaalsContact N-O 3.11Å; L303-K364 PolarHBondContact O-NZ 2.72Å; L303-K364 VanDerWaalsContact O-NZ 3.11Å; L303-L366 HydrophobicContact CD2-CD2 3.75Å
304	D	91.8	Very high	92.7	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.112	30%	0.301	C	S	.	.			trans	-73	153.5	170.7	-148.5	-13.5	0	0	0	111	N306 I307 N335 S363 K364	D304-N306 PolarHBondContact O-N 3.29Å; D304-I307 HydrophobicContact CB-CG1 3.95Å; D304-I307 WeakPolarHBondContact O-CB 3.21Å; D304-I307 PolarHBondContact O-N 3.35Å; D304-N335 PolarHBondContact O-ND2 3.27Å; D304-S363 VanDerWaalsContact CG-OG 3.24Å; D304-S363 PolarHBondContact OD1-OG 2.96Å; D304-S363 WeakPolarHBondContact OD2-CB 3.15Å; D304-S363 PolarHBondContact OD2-N 3.18Å; D304-S363 PolarHBondContact OD2-OG 2.93Å; D304-K364 HydrophobicContact CB-CD 4.49Å; D304-K364 VanDerWaalsContact OD1-CE 3.24Å; D304-K364 WeakPolarHBondContact OD1-CE 3.37Å; D304-K364 IonicContact OD1-NZ 3.16Å
305	D	90.1	Very high	93.2	Very high	124 Å²	124	57.5 Å²	57.5	66%	0.663	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16	-169.1	-70.5	41.2	0	0	0	112.4	N335 K364	D305-N335 PolarHBondContact O-ND2 2.89Å; D305-K364 IonicContact OD1-NZ 3.37Å; D305-K364 PolarHBondContact OD1-NZ 3.11Å
306	N	90.8	Very high	93.6	Very high	97 Å²	97	56 Å²	56	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	3	177.5	64.5	19.4	0	0	0	114.4	D304 K311	D304-N306 PolarHBondContact O-N 3.29Å; N306-K311 WeakPolarHBondContact O-CD 3.26Å; N306-K311 PolarHBondContact O-NZ 3.45Å
307	I	91.6	Very high	93.7	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.072	29%	0.287	C	S	.	.			trans	-85.9	127.2	177.4	-56.2	-61.6	0	0	0	110.4	L303 D304 K311 L312 N335 L361	L303-I307 HydrophobicContact CB-CB 4.32Å; L303-I307 HydrophobicContact CD1-CG2 4.46Å; L303-I307 HydrophobicContact CD2-CG2 4.27Å; D304-I307 HydrophobicContact CB-CG1 3.95Å; D304-I307 WeakPolarHBondContact O-CB 3.21Å; D304-I307 PolarHBondContact O-N 3.35Å; I307-K311 HydrophobicContact CD1-CB 4.23Å; I307-K311 HydrophobicContact CD1-CD 4.22Å; I307-K311 HydrophobicContact CG2-CB 4.19Å; I307-L312 HydrophobicContact CG2-CB 4.23Å; I307-N335 PolarHBondContact O-ND2 3.07Å; I307-L361 HydrophobicContact CD1-CD2 4.16Å; I307-L361 HydrophobicContact CD1-CG 4.24Å; I307-L361 HydrophobicContact CG1-CD2 4.44Å
308	D	92.8	Very high	93.7	Very high	61 Å²	61	63.2 Å²	63.2	33%	0.326	31%	0.308	S	S	.	.			trans	-118	179.3	179.1	49.9	45.7	0	0	0	110.8	E310 K311 L312 V327	D308-E310 PolarHBondContact O-N 2.89Å; D308-E310 PolarHBondContact OD1-N 3.09Å; D308-K311 PolarHBondContact O-N 3.28Å; D308-K311 WeakPolarHBondContact OD1-CB 3.48Å; D308-K311 VanDerWaalsContact OD1-CG 3.28Å; D308-K311 WeakPolarHBondContact OD1-CG 3.21Å; D308-K311 PolarHBondContact OD1-N 3.19Å; D308-K311 WeakPolarHBondContact OD2-CE 3.18Å; D308-K311 IonicContact OD2-NZ 2.67Å; D308-K311 PolarHBondContact OD2-NZ 3.3Å; D308-L312 VanDerWaalsContact O-CB 3.24Å; D308-L312 WeakPolarHBondContact O-CB 3.47Å; D308-L312 PolarHBondContact O-N 2.93Å; D308-V327 VanDerWaalsContact C-CG2 3.46Å
309	D	95	Very high	93.7	Very high	60 Å²	60	63.7 Å²	63.7	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-58.1	-32.9	-178.6	-70.1	15.2	0	0	0	112.5	R313 V327	D309-R313 VanDerWaalsContact O-CB 3.24Å; D309-R313 WeakPolarHBondContact O-CB 2.94Å; D309-R313 PolarHBondContact O-N 3.25Å; D309-V327 WeakPolarHBondContact OD1-CB 3.43Å; D309-V327 PolarHBondContact OD1-N 2.8Å
310	E	94.5	Very high	93.6	Very high	158 Å²	158	63.1 Å²	63.1	74%	0.738	31%	0.314	S	S	*	.	H	α-helix	trans	-78	-46.6	-178.9	-63.6	-168.2	169.1	0	0	112.3	D308 L312 R313 K314	D308-E310 PolarHBondContact O-N 2.89Å; D308-E310 PolarHBondContact OD1-N 3.09Å; E310-L312 VanDerWaalsContact C-N 3.31Å; E310-L312 PolarHBondContact O-N 3.35Å; E310-R313 PolarHBondContact O-N 2.86Å; E310-K314 WeakPolarHBondContact O-CB 3.26Å; E310-K314 PolarHBondContact O-N 3.09Å
311	K	93.1	Very high	93.6	Very high	99 Å²	99	67.5 Å²	67.5	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-40.1	173.5	-70	168.1	-170.6	131.5	0	110.9	N306 I307 D308 K314 A315	N306-K311 WeakPolarHBondContact O-CD 3.26Å; N306-K311 PolarHBondContact O-NZ 3.45Å; I307-K311 HydrophobicContact CD1-CB 4.23Å; I307-K311 HydrophobicContact CD1-CD 4.22Å; I307-K311 HydrophobicContact CG2-CB 4.19Å; D308-K311 PolarHBondContact O-N 3.28Å; D308-K311 WeakPolarHBondContact OD1-CB 3.48Å; D308-K311 VanDerWaalsContact OD1-CG 3.28Å; D308-K311 WeakPolarHBondContact OD1-CG 3.21Å; D308-K311 PolarHBondContact OD1-N 3.19Å; D308-K311 WeakPolarHBondContact OD2-CE 3.18Å; D308-K311 IonicContact OD2-NZ 2.67Å; D308-K311 PolarHBondContact OD2-NZ 3.3Å; K311-K314 PolarHBondContact O-N 3.25Å; K311-A315 WeakPolarHBondContact O-CB 3.33Å; K311-A315 PolarHBondContact O-N 2.81Å
312	L	94.6	Very high	93.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-46.2	174.1	-178.7	63.2	0	0	0	111.1	V300 L303 I307 D308 E310 A315 F316 V327 V341	V300-L312 HydrophobicContact CB-CD1 4.4Å; V300-L312 HydrophobicContact CG1-CD1 4.2Å; V300-L312 HydrophobicContact CG2-CD1 4.44Å; L303-L312 HydrophobicContact CD2-CD1 4.07Å; I307-L312 HydrophobicContact CG2-CB 4.23Å; D308-L312 VanDerWaalsContact O-CB 3.24Å; D308-L312 WeakPolarHBondContact O-CB 3.47Å; D308-L312 PolarHBondContact O-N 2.93Å; E310-L312 VanDerWaalsContact C-N 3.31Å; E310-L312 PolarHBondContact O-N 3.35Å; L312-A315 PolarHBondContact O-N 2.82Å; L312-F316 HydrophobicContact CD1-CD2 3.9Å; L312-F316 HydrophobicContact CD1-CE2 3.77Å; L312-F316 WeakPolarHBondContact O-CD2 3.47Å; L312-F316 PolarHBondContact O-N 3.37Å; L312-V327 HydrophobicContact CB-CG2 4.1Å; L312-V327 HydrophobicContact CD2-CG2 3.8Å; L312-V341 HydrophobicContact CD1-CG2 3.88Å; L312-V341 HydrophobicContact CD2-CG2 3.87Å; L312-V341 HydrophobicContact CG-CG2 3.7Å
313	R	96.1	Very high	93.6	Very high	101 Å²	101	63.8 Å²	63.8	38%	0.381	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-50.2	175.1	-177.5	177.7	-70.9	-86.6	2.5	111.6	D309 E310 A315 F316 S317 I322 A325	D309-R313 VanDerWaalsContact O-CB 3.24Å; D309-R313 WeakPolarHBondContact O-CB 2.94Å; D309-R313 PolarHBondContact O-N 3.25Å; E310-R313 PolarHBondContact O-N 2.86Å; R313-A315 VanDerWaalsContact C-N 3.3Å; R313-A315 PolarHBondContact O-N 3.22Å; R313-F316 PolarHBondContact O-N 3.36Å; R313-F316 VanDerWaalsContact O-N 3.13Å; R313-S317 WeakPolarHBondContact O-CB 3.4Å; R313-S317 PolarHBondContact O-N 2.84Å; R313-I322 HydrophobicContact CG-CD1 4.08Å; R313-I322 HydrophobicContact CG-CG2 4.48Å; R313-I322 PolarHBondContact NH1-O 2.81Å; R313-I322 VanDerWaalsContact O-CD1 3.22Å; R313-I322 WeakPolarHBondContact O-CD1 3.28Å; R313-A325 HydrophobicContact CB-CB 3.91Å
314	K	94.5	Very high	93.6	Very high	173 Å²	173	66.4 Å²	66.4	75%	0.752	35%	0.347	S	S	*	.	H	α-helix	trans	-64	-31.8	-179.8	-174.1	173.4	-179.7	176.2	0	113	E310 K311 F316 S317	E310-K314 WeakPolarHBondContact O-CB 3.26Å; E310-K314 PolarHBondContact O-N 3.09Å; K311-K314 PolarHBondContact O-N 3.25Å; K314-F316 VanDerWaalsContact C-N 3.28Å; K314-F316 PolarHBondContact O-N 3.32Å; K314-S317 PolarHBondContact O-OG 3.14Å
315	A	93.1	Very high	93.8	Very high	14 Å²	14	65.7 Å²	65.7	12%	0.116	34%	0.344	C	S	.	.	H	α-helix	trans	-74	-15	176.3	0	0	0	0	0	114	K311 L312 R313 K356 L361	K311-A315 WeakPolarHBondContact O-CB 3.33Å; K311-A315 PolarHBondContact O-N 2.81Å; L312-A315 PolarHBondContact O-N 2.82Å; R313-A315 VanDerWaalsContact C-N 3.3Å; R313-A315 PolarHBondContact O-N 3.22Å; A315-K356 WeakPolarHBondContact O-CE 3.44Å; A315-L361 HydrophobicContact CB-CD1 3.76Å; A315-L361 HydrophobicContact CB-CD2 3.87Å
316	F	95.6	Very high	94	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-117.8	-10	-178.1	-82.6	-97.3	0	0	0	113.9	L298 V300 L312 R313 K314 E318 F319 I322 V341 F343 A352 K356 L366 V368	L298-F316 HydrophobicContact CD1-CE1 4.27Å; V300-F316 HydrophobicContact CG1-CE2 4.11Å; V300-F316 HydrophobicContact CG1-CZ 4.02Å; V300-F316 HydrophobicContact CG2-CE1 4.2Å; V300-F316 HydrophobicContact CG2-CE2 4.03Å; V300-F316 HydrophobicContact CG2-CZ 3.61Å; L312-F316 HydrophobicContact CD1-CD2 3.9Å; L312-F316 HydrophobicContact CD1-CE2 3.77Å; L312-F316 WeakPolarHBondContact O-CD2 3.47Å; L312-F316 PolarHBondContact O-N 3.37Å; R313-F316 PolarHBondContact O-N 3.36Å; R313-F316 VanDerWaalsContact O-N 3.13Å; K314-F316 VanDerWaalsContact C-N 3.28Å; K314-F316 PolarHBondContact O-N 3.32Å; F316-E318 PolarHBondContact O-N 3.2Å; F316-E318 VanDerWaalsContact O-N 3.13Å; F316-F319 HydrophobicContact CD1-CD2 4.32Å; F316-F319 WeakPolarHBondContact O-CD2 3.46Å; F316-F319 PolarHBondContact O-N 3.37Å; F316-I322 HydrophobicContact CB-CD1 3.68Å; F316-V341 HydrophobicContact CB-CG1 4.01Å; F316-V341 HydrophobicContact CD1-CG1 4.36Å; F316-V341 HydrophobicContact CD2-CG2 4.17Å; F316-V341 HydrophobicContact CG-CG1 4.22Å; F316-V341 HydrophobicContact CG-CG2 4.17Å; F316-F343 HydrophobicContact CB-CZ 4.1Å; F316-F343 HydrophobicContact CD1-CE2 4.29Å; F316-F343 HydrophobicContact CD1-CZ 4.17Å; F316-F343 WeakPolarHBondContact O-CZ 3.06Å; F316-A352 HydrophobicContact CD1-CB 4.08Å; F316-A352 HydrophobicContact CE1-CB 4.31Å; F316-K356 HydrophobicContact CE1-CB 4.05Å; F316-K356 HydrophobicContact CE1-CG 4.14Å; F316-K356 HydrophobicContact CZ-CB 4.07Å; F316-K356 HydrophobicContact CZ-CG 4.29Å; F316-L366 HydrophobicContact CE2-CD1 4.11Å; F316-L366 HydrophobicContact CZ-CD1 4.21Å; F316-V368 HydrophobicContact CE1-CG1 4.04Å; F316-V368 HydrophobicContact CE1-CG2 4.32Å; F316-V368 HydrophobicContact CZ-CG1 4.3Å; F316-V368 HydrophobicContact CZ-CG2 3.86Å
317	S	94.7	Very high	94.3	Very high	67 Å²	67	60.7 Å²	60.7	47%	0.469	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.7	-175.5	50.9	0	0	0	0	114.6	R313 K314 F319	R313-S317 WeakPolarHBondContact O-CB 3.4Å; R313-S317 PolarHBondContact O-N 2.84Å; K314-S317 PolarHBondContact O-OG 3.14Å; S317-F319 VanDerWaalsContact C-N 3.32Å
318	E	94.1	Very high	94.4	Very high	128 Å²	128	63.2 Å²	63.2	60%	0.598	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19	174.8	67	-166.1	155.8	0	0	113.6	F316 K356	F316-E318 PolarHBondContact O-N 3.2Å; F316-E318 VanDerWaalsContact O-N 3.13Å; E318-K356 WeakPolarHBondContact OE1-CE 3.45Å; E318-K356 IonicContact OE1-NZ 2.6Å; E318-K356 PolarHBondContact OE1-NZ 3.28Å
319	F	93.7	Very high	94.4	Very high	11 Å²	11	63.8 Å²	63.8	5%	0.048	33%	0.33	C	S	.	.	S	Bend	trans	-92	-11.9	179.7	-52.8	-70.9	0	0	0	114.4	F316 S317 F343 E348 R351 A352 E355 K356	F316-F319 HydrophobicContact CD1-CD2 4.32Å; F316-F319 WeakPolarHBondContact O-CD2 3.46Å; F316-F319 PolarHBondContact O-N 3.37Å; S317-F319 VanDerWaalsContact C-N 3.32Å; F319-F343 HydrophobicContact CB-CE1 4Å; F319-F343 HydrophobicContact CB-CZ 3.93Å; F319-F343 HydrophobicContact CD2-CZ 4.46Å; F319-E348 WeakPolarHBondContact O-CB 3.38Å; F319-E348 WeakPolarHBondContact O-CG 3.4Å; F319-R351 HydrophobicContact CD1-CB 4.38Å; F319-R351 PolarHBondContact O-NH2 3.33Å; F319-A352 HydrophobicContact CB-CB 3.81Å; F319-A352 HydrophobicContact CD1-CB 4.42Å; F319-A352 HydrophobicContact CD2-CB 3.7Å; F319-A352 HydrophobicContact CG-CB 3.67Å; F319-E355 HydrophobicContact CD1-CB 4.45Å; F319-E355 HydrophobicContact CE1-CB 3.59Å; F319-E355 HydrophobicContact CE1-CG 4.26Å; F319-E355 HydrophobicContact CZ-CB 4.09Å; F319-K356 HydrophobicContact CD2-CG 4.4Å; F319-K356 HydrophobicContact CE2-CD 4.01Å; F319-K356 VanDerWaalsContact CE2-CE 3.46Å; F319-K356 HydrophobicContact CE2-CG 3.35Å; F319-K356 HydrophobicContact CZ-CD 3.99Å; F319-K356 HydrophobicContact CZ-CG 3.55Å
320	G	92.9	Very high	94.2	Very high	19 Å²	19	64.6 Å²	64.6	20%	0.196	34%	0.335	C	S	.	.	S	Bend	trans	152.6	-173.6	-175.8	0	0	0	0	0	116.2	I322 E348	G320-I322 PolarHBondContact O-N 3.4Å; G320-E348 WeakPolarHBondContact CA-OE1 3.39Å
321	T	95.3	Very high	94.1	Very high	93 Å²	93	66.6 Å²	66.6	57%	0.571	34%	0.344	S	S	*	.			trans	-77.3	105	-175.5	-55.5	0	0	0	0	111.2	T323 F343 S344 E348	T321-T323 PolarHBondContact O-N 2.87Å; T321-F343 CarbonylContact O-C 3.51Å; T321-F343 WeakPolarHBondContact O-CA 3.48Å; T321-S344 PolarHBondContact O-N 3.18Å; T321-E348 PolarHBondContact N-OE1 3Å
322	I	95.4	Very high	93.9	Very high	18 Å²	18	68.6 Å²	68.6	9%	0.092	36%	0.359	C	S	.	.			trans	-79.7	103.6	-179.7	-62	175.6	0	0	0	110.8	R313 F316 G320 S324 A325 V341 C342 F343	R313-I322 HydrophobicContact CG-CD1 4.08Å; R313-I322 HydrophobicContact CG-CG2 4.48Å; R313-I322 PolarHBondContact NH1-O 2.81Å; R313-I322 VanDerWaalsContact O-CD1 3.22Å; R313-I322 WeakPolarHBondContact O-CD1 3.28Å; F316-I322 HydrophobicContact CB-CD1 3.68Å; G320-I322 PolarHBondContact O-N 3.4Å; I322-S324 VanDerWaalsContact C-N 3.34Å; I322-S324 VanDerWaalsContact CG2-C 3.46Å; I322-S324 VanDerWaalsContact CG2-O 3.31Å; I322-S324 WeakPolarHBondContact CG2-O 3.49Å; I322-A325 HydrophobicContact CG2-CB 3.88Å; I322-V341 HydrophobicContact CD1-CG1 4.02Å; I322-V341 HydrophobicContact CG1-CG1 4.11Å; I322-V341 HydrophobicContact CG2-CG1 4.1Å; I322-C342 CarbonylContact C-O 3.56Å; I322-C342 WeakPolarHBondContact CA-O 3.3Å; I322-F343 HydrophobicContact CD1-CE1 4.48Å; I322-F343 HydrophobicContact CG1-CD1 4.14Å; I322-F343 HydrophobicContact CG1-CE1 3.74Å; I322-F343 HydrophobicContact CG1-CZ 4.23Å
323	T	93.4	Very high	93.5	Very high	81 Å²	81	71 Å²	71	50%	0.497	39%	0.385	S	S	.	.	S	Bend	trans	-68.6	-33.7	173.6	56.1	0	0	0	0	111.7	T321 C342 F343	T321-T323 PolarHBondContact O-N 2.87Å; T323-C342 PolarHBondContact N-O 3.11Å; T323-C342 WeakPolarHBondContact OG1-CB 3.48Å; T323-C342 PolarHBondContact OG1-O 2.59Å; T323-C342 VanDerWaalsContact OG1-O 3.09Å; T323-C342 PolarHBondContact OG1-SG 2.73Å; T323-C342 VanDerWaalsContact OG1-SG 3.35Å; T323-F343 WeakPolarHBondContact CG2-O 3.46Å; T323-F343 PolarHBondContact OG1-O 3.07Å
324	S	92.6	Very high	93.1	Very high	55 Å²	55	75.7 Å²	75.7	39%	0.385	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	137.9	173.9	-162.8	0	0	0	0	111.9	I322 V341 C342	I322-S324 VanDerWaalsContact C-N 3.34Å; I322-S324 VanDerWaalsContact CG2-C 3.46Å; I322-S324 VanDerWaalsContact CG2-O 3.31Å; I322-S324 WeakPolarHBondContact CG2-O 3.49Å; S324-V341 CarbonylContact O-C 3.45Å; S324-V341 WeakPolarHBondContact O-CA 3.47Å; S324-C342 PolarHBondContact N-O 2.81Å; S324-C342 PolarHBondContact O-N 2.88Å
325	A	95.9	Very high	92.8	Very high	7 Å²	7	68.6 Å²	68.6	6%	0.058	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.4	165.8	0	0	0	0	0	107.5	R313 I322 F340 V341	R313-A325 HydrophobicContact CB-CB 3.91Å; I322-A325 HydrophobicContact CG2-CB 3.88Å; A325-F340 WeakPolarHBondContact CA-O 3.43Å; A325-V341 HydrophobicContact CB-CG2 4.41Å
326	K	95.2	Very high	92.8	Very high	113 Å²	113	72.1 Å²	72.1	49%	0.491	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	122.4	179	-178.6	150.6	-172.7	143.3	0	112.5	G339 F340	K326-G339 CarbonylContact O-C 3.56Å; K326-G339 WeakPolarHBondContact O-CA 3.5Å; K326-F340 PolarHBondContact N-O 3.17Å; K326-F340 PolarHBondContact O-N 2.87Å
327	V	95.8	Very high	92.6	Very high	3 Å²	3	73 Å²	73	2%	0.018	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.2	166.3	-179.3	0	0	0	0	108.8	L303 D308 D309 L312 N335	L303-V327 HydrophobicContact CD1-CG1 4.08Å; L303-V327 HydrophobicContact CD1-CG2 3.93Å; D308-V327 VanDerWaalsContact C-CG2 3.46Å; D309-V327 WeakPolarHBondContact OD1-CB 3.43Å; D309-V327 PolarHBondContact OD1-N 2.8Å; L312-V327 HydrophobicContact CB-CG2 4.1Å; L312-V327 HydrophobicContact CD2-CG2 3.8Å; V327-N335 HydrophobicContact CG1-CB 3.47Å; V327-N335 VanDerWaalsContact CG1-CB 3.47Å
328	M	93.8	Very high	92.6	Very high	67 Å²	67	72.1 Å²	72.1	33%	0.33	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.7	174.8	-66.7	-58.4	-56.1	0	0	109.1	K336 F338 F340	M328-K336 HydrophobicContact CB-CD 4.34Å; M328-K336 VanDerWaalsContact O-CB 3.31Å; M328-K336 WeakPolarHBondContact O-CB 3.39Å; M328-K336 VanDerWaalsContact O-CG 3.28Å; M328-K336 WeakPolarHBondContact O-CG 3.24Å; M328-K336 PolarHBondContact O-N 3.28Å; M328-F338 HydrophobicContact CB-CD2 4.05Å; M328-F338 HydrophobicContact CB-CE1 4.37Å; M328-F338 HydrophobicContact CB-CE2 3.69Å; M328-F338 HydrophobicContact CB-CZ 3.86Å; M328-F338 HydrophobicContact CG-CD2 3.92Å; M328-F338 HydrophobicContact CG-CE2 3.46Å; M328-F338 VanDerWaalsContact CG-CE2 3.46Å; M328-F338 HydrophobicContact CG-CZ 4.05Å; M328-F338 PolarHBondContact N-O 3.08Å; M328-F340 HydrophobicContact CG-CD2 4.15Å; M328-F340 HydrophobicContact CG-CE2 3.98Å; M328-F340 HydrophobicContact SD-CD2 4.4Å; M328-F340 HydrophobicContact SD-CE2 4.37Å
329	T	93.8	Very high	92.6	Very high	72 Å²	72	66 Å²	66	44%	0.442	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	156.6	178.3	51.3	0	0	0	0	111.7	G333 R334 K336	T329-G333 WeakPolarHBondContact CG2-O 3.35Å; T329-R334 CarbonylContact C-O 3.48Å; T329-R334 VanDerWaalsContact CA-O 3.24Å; T329-R334 WeakPolarHBondContact CA-O 3.46Å; T329-R334 WeakPolarHBondContact CB-O 3.45Å; T329-K336 WeakPolarHBondContact O-CD 3.44Å
330	D	91	Very high	92.8	Very high	78 Å²	78	68.5 Å²	68.5	42%	0.417	37%	0.365	S	S	.	.			trans	-83.4	171.6	165	-91.8	-46.7	0	0	0	111.3	N332 G333 R334 K336	D330-N332 PolarHBondContact O-N 2.99Å; D330-G333 PolarHBondContact O-N 2.76Å; D330-R334 PolarHBondContact N-O 2.86Å; D330-K336 HydrophobicContact CB-CG 4.4Å; D330-K336 IonicContact OD1-NZ 2.63Å; D330-K336 PolarHBondContact OD1-NZ 2.62Å; D330-K336 WeakPolarHBondContact OD2-CG 3.19Å; D330-K336 IonicContact OD2-NZ 3.58Å; D330-K336 PolarHBondContact OD2-NZ 2.63Å
331	E	92.2	Very high	92.9	Very high	199 Å²	199	67.6 Å²	67.6	93%	0.93	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.9	-179.5	-62	175.3	168.6	0	0	112.8	G333	E331-G333 VanDerWaalsContact C-N 3.26Å; E331-G333 PolarHBondContact O-N 3.4Å
332	N	87.6	Confident	92.9	Very high	141 Å²	141	63.5 Å²	63.5	75%	0.754	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	14.1	175.4	-63.5	-37	0	0	0	114.2	D330 R334	D330-N332 PolarHBondContact O-N 2.99Å; N332-R334 PolarHBondContact O-N 3.01Å
333	G	87.1	Confident	92.9	Very high	52 Å²	52	62.7 Å²	62.7	54%	0.536	33%	0.326	S	S	.	.	S	Bend	trans	71.9	-16.6	-179.9	0	0	0	0	0	116.1	T329 D330 E331	T329-G333 WeakPolarHBondContact CG2-O 3.35Å; D330-G333 PolarHBondContact O-N 2.76Å; E331-G333 VanDerWaalsContact C-N 3.26Å; E331-G333 PolarHBondContact O-N 3.4Å
334	R	87.3	Confident	92.9	Very high	198 Å²	198	61.7 Å²	61.7	75%	0.747	32%	0.322	S	S	*	.			trans	-61.5	143.6	175.5	-60.4	-175.6	-174.1	178.3	1.2	111.1	T329 D330 N332	T329-R334 CarbonylContact C-O 3.48Å; T329-R334 VanDerWaalsContact CA-O 3.24Å; T329-R334 WeakPolarHBondContact CA-O 3.46Å; T329-R334 WeakPolarHBondContact CB-O 3.45Å; D330-R334 PolarHBondContact N-O 2.86Å; N332-R334 PolarHBondContact O-N 3.01Å
335	N	89	Confident	92.9	Very high	24 Å²	24	61.5 Å²	61.5	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	153.2	177.6	83.7	30.2	0	0	0	112.3	D304 D305 I307 V327 G337	D304-N335 PolarHBondContact O-ND2 3.27Å; D305-N335 PolarHBondContact O-ND2 2.89Å; I307-N335 PolarHBondContact O-ND2 3.07Å; V327-N335 HydrophobicContact CG1-CB 3.47Å; V327-N335 VanDerWaalsContact CG1-CB 3.47Å; N335-G337 VanDerWaalsContact C-N 3.28Å; N335-G337 PolarHBondContact OD1-N 2.79Å; N335-G337 VanDerWaalsContact OD1-N 3.11Å
336	K	92.3	Very high	92.8	Very high	89 Å²	89	63.7 Å²	63.7	39%	0.387	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	15.9	-179.5	-58.6	-178.6	69.2	66.9	0	112.4	M328 T329 D330 F338	M328-K336 HydrophobicContact CB-CD 4.34Å; M328-K336 VanDerWaalsContact O-CB 3.31Å; M328-K336 WeakPolarHBondContact O-CB 3.39Å; M328-K336 VanDerWaalsContact O-CG 3.28Å; M328-K336 WeakPolarHBondContact O-CG 3.24Å; M328-K336 PolarHBondContact O-N 3.28Å; T329-K336 WeakPolarHBondContact O-CD 3.44Å; D330-K336 HydrophobicContact CB-CG 4.4Å; D330-K336 IonicContact OD1-NZ 2.63Å; D330-K336 PolarHBondContact OD1-NZ 2.62Å; D330-K336 WeakPolarHBondContact OD2-CG 3.19Å; D330-K336 IonicContact OD2-NZ 3.58Å; D330-K336 PolarHBondContact OD2-NZ 2.63Å; K336-F338 HydrophobicContact CB-CD1 3.76Å; K336-F338 HydrophobicContact CB-CE1 3.67Å; K336-F338 HydrophobicContact CD-CE1 4.22Å; K336-F338 WeakPolarHBondContact O-CD1 3.45Å; K336-F338 PolarHBondContact O-N 3.42Å
337	G	92	Very high	92.7	Very high	18 Å²	18	64.1 Å²	64.1	19%	0.186	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64	15	-170.7	0	0	0	0	0	115	K301 N302 L303 N335	K301-G337 CarbonylContact C-O 3.56Å; N302-G337 PolarHBondContact N-O 3.21Å; L303-G337 PolarHBondContact N-O 3.09Å; L303-G337 VanDerWaalsContact N-O 3.11Å; N335-G337 VanDerWaalsContact C-N 3.28Å; N335-G337 PolarHBondContact OD1-N 2.79Å; N335-G337 VanDerWaalsContact OD1-N 3.11Å
338	F	94.4	Very high	92.7	Very high	49 Å²	49	64.9 Å²	64.9	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.7	176.2	78.7	-92.8	0	0	0	113.5	Y299 V300 K301 M328 K336 F340	Y299-F338 HydrophobicContact CD2-CD2 4.26Å; Y299-F338 HydrophobicContact CE2-CB 4.06Å; Y299-F338 AromaticContact CE2-CD2 3.45Å; Y299-F338 HydrophobicContact CE2-CD2 3.45Å; Y299-F338 VanDerWaalsContact CE2-CD2 3.45Å; Y299-F338 HydrophobicContact CE2-CE2 4.05Å; Y299-F338 AromaticContact CE2-CG 3.93Å; Y299-F338 HydrophobicContact CE2-CG 3.93Å; V300-F338 CarbonylContact O-C 3.51Å; V300-F338 WeakPolarHBondContact O-CA 3.46Å; V300-F338 WeakPolarHBondContact O-CB 3.48Å; K301-F338 HydrophobicContact CB-CB 4.21Å; K301-F338 HydrophobicContact CG-CB 4.18Å; M328-F338 HydrophobicContact CB-CD2 4.05Å; M328-F338 HydrophobicContact CB-CE1 4.37Å; M328-F338 HydrophobicContact CB-CE2 3.69Å; M328-F338 HydrophobicContact CB-CZ 3.86Å; M328-F338 HydrophobicContact CG-CD2 3.92Å; M328-F338 HydrophobicContact CG-CE2 3.46Å; M328-F338 VanDerWaalsContact CG-CE2 3.46Å; M328-F338 HydrophobicContact CG-CZ 4.05Å; M328-F338 PolarHBondContact N-O 3.08Å; K336-F338 HydrophobicContact CB-CD1 3.76Å; K336-F338 HydrophobicContact CB-CE1 3.67Å; K336-F338 HydrophobicContact CD-CE1 4.22Å; K336-F338 WeakPolarHBondContact O-CD1 3.45Å; K336-F338 PolarHBondContact O-N 3.42Å; F338-F340 HydrophobicContact CD2-CE2 4.42Å; F338-F340 HydrophobicContact CE2-CE2 4.11Å
339	G	95.1	Very high	92.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	-172.2	178.3	0	0	0	0	0	112.2	V300 K326	V300-G339 PolarHBondContact N-O 3.26Å; V300-G339 PolarHBondContact O-N 2.93Å; K326-G339 CarbonylContact O-C 3.56Å; K326-G339 WeakPolarHBondContact O-CA 3.5Å
340	F	96.1	Very high	92.7	Very high	63 Å²	63	61.9 Å²	61.9	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.8	177.1	-64.4	-86.6	0	0	0	111	L298 Y299 A325 K326 M328 F338 A371	L298-F340 WeakPolarHBondContact O-CA 3.45Å; Y299-F340 HydrophobicContact CD2-CD1 4.42Å; Y299-F340 AromaticContact CD2-CE1 3.77Å; Y299-F340 HydrophobicContact CD2-CE1 3.77Å; Y299-F340 AromaticContact CD2-CZ 3.92Å; Y299-F340 HydrophobicContact CD2-CZ 3.92Å; Y299-F340 HydrophobicContact CG-CE1 4.49Å; A325-F340 WeakPolarHBondContact CA-O 3.43Å; K326-F340 PolarHBondContact N-O 3.17Å; K326-F340 PolarHBondContact O-N 2.87Å; M328-F340 HydrophobicContact CG-CD2 4.15Å; M328-F340 HydrophobicContact CG-CE2 3.98Å; M328-F340 HydrophobicContact SD-CD2 4.4Å; M328-F340 HydrophobicContact SD-CE2 4.37Å; F338-F340 HydrophobicContact CD2-CE2 4.42Å; F338-F340 HydrophobicContact CE2-CE2 4.11Å; F340-A371 HydrophobicContact CD1-CB 4.08Å; F340-A371 HydrophobicContact CE1-CB 4.09Å
341	V	96.2	Very high	92.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.2	173.8	-178.3	0	0	0	0	108.4	L298 V300 L312 F316 I322 S324 A325 F343	L298-V341 WeakPolarHBondContact CB-O 3.11Å; L298-V341 PolarHBondContact N-O 2.89Å; L298-V341 PolarHBondContact O-N 2.85Å; V300-V341 HydrophobicContact CG2-CG2 3.97Å; L312-V341 HydrophobicContact CD1-CG2 3.88Å; L312-V341 HydrophobicContact CD2-CG2 3.87Å; L312-V341 HydrophobicContact CG-CG2 3.7Å; F316-V341 HydrophobicContact CB-CG1 4.01Å; F316-V341 HydrophobicContact CD1-CG1 4.36Å; F316-V341 HydrophobicContact CD2-CG2 4.17Å; F316-V341 HydrophobicContact CG-CG1 4.22Å; F316-V341 HydrophobicContact CG-CG2 4.17Å; I322-V341 HydrophobicContact CD1-CG1 4.02Å; I322-V341 HydrophobicContact CG1-CG1 4.11Å; I322-V341 HydrophobicContact CG2-CG1 4.1Å; S324-V341 CarbonylContact O-C 3.45Å; S324-V341 WeakPolarHBondContact O-CA 3.47Å; A325-V341 HydrophobicContact CB-CG2 4.41Å; V341-F343 HydrophobicContact CG1-CD2 4.34Å; V341-F343 HydrophobicContact CG1-CE2 3.81Å; V341-F343 HydrophobicContact CG1-CZ 4.12Å
342	C	94.5	Very high	93.1	Very high	6 Å²	6	54.7 Å²	54.7	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.9	175	-167.1	0	0	0	0	110	Y293 V296 N297 I322 T323 S324	Y293-C342 HydrophobicContact CD1-CB 4.43Å; Y293-C342 VanDerWaalsContact CD1-SG 3.58Å; Y293-C342 HydrophobicContact CE1-CB 4.41Å; V296-C342 VanDerWaalsContact CG2-SG 3.52Å; V296-C342 WeakPolarHBondContact O-CA 3.39Å; N297-C342 HydrophobicContact CB-CB 4.43Å; I322-C342 CarbonylContact C-O 3.56Å; I322-C342 WeakPolarHBondContact CA-O 3.3Å; T323-C342 PolarHBondContact N-O 3.11Å; T323-C342 WeakPolarHBondContact OG1-CB 3.48Å; T323-C342 PolarHBondContact OG1-O 2.59Å; T323-C342 VanDerWaalsContact OG1-O 3.09Å; T323-C342 PolarHBondContact OG1-SG 2.73Å; T323-C342 VanDerWaalsContact OG1-SG 3.35Å; S324-C342 PolarHBondContact N-O 2.81Å; S324-C342 PolarHBondContact O-N 2.88Å
343	F	96.1	Very high	93.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	26%	0.257	C	S	.	.			trans	-87.3	-173.9	172.3	-75.4	-81	0	0	0	111.3	V296 L298 F316 F319 T321 I322 T323 V341 E348 A349 A352	V296-F343 PolarHBondContact O-N 3.21Å; L298-F343 HydrophobicContact CD1-CD2 4.24Å; L298-F343 HydrophobicContact CD1-CE2 3.8Å; L298-F343 HydrophobicContact CG-CD2 4.46Å; L298-F343 HydrophobicContact CG-CE2 4.44Å; F316-F343 HydrophobicContact CB-CZ 4.1Å; F316-F343 HydrophobicContact CD1-CE2 4.29Å; F316-F343 HydrophobicContact CD1-CZ 4.17Å; F316-F343 WeakPolarHBondContact O-CZ 3.06Å; F319-F343 HydrophobicContact CB-CE1 4Å; F319-F343 HydrophobicContact CB-CZ 3.93Å; F319-F343 HydrophobicContact CD2-CZ 4.46Å; T321-F343 CarbonylContact O-C 3.51Å; T321-F343 WeakPolarHBondContact O-CA 3.48Å; I322-F343 HydrophobicContact CD1-CE1 4.48Å; I322-F343 HydrophobicContact CG1-CD1 4.14Å; I322-F343 HydrophobicContact CG1-CE1 3.74Å; I322-F343 HydrophobicContact CG1-CZ 4.23Å; T323-F343 WeakPolarHBondContact CG2-O 3.46Å; T323-F343 PolarHBondContact OG1-O 3.07Å; V341-F343 HydrophobicContact CG1-CD2 4.34Å; V341-F343 HydrophobicContact CG1-CE2 3.81Å; V341-F343 HydrophobicContact CG1-CZ 4.12Å; F343-E348 HydrophobicContact CB-CB 3.8Å; F343-E348 HydrophobicContact CD1-CB 3.7Å; F343-E348 HydrophobicContact CE1-CB 4.48Å; F343-E348 HydrophobicContact CG-CB 3.8Å; F343-A349 HydrophobicContact CB-CB 4.28Å; F343-A349 HydrophobicContact CD2-CB 3.94Å; F343-A349 HydrophobicContact CG-CB 4.45Å; F343-A352 HydrophobicContact CE2-CB 3.58Å; F343-A352 HydrophobicContact CZ-CB 3.79Å
344	S	93.5	Very high	93.7	Very high	59 Å²	59	51.7 Å²	51.7	41%	0.413	26%	0.264	S	S	.	.	S	Bend	trans	-92.5	-27.8	173.6	73.8	0	0	0	0	112.2	T321 E348	T321-S344 PolarHBondContact O-N 3.18Å; S344-E348 WeakPolarHBondContact CA-OE2 3.26Å; S344-E348 WeakPolarHBondContact CB-OE2 3.47Å; S344-E348 PolarHBondContact N-OE2 2.93Å; S344-E348 PolarHBondContact OG-OE1 2.98Å; S344-E348 PolarHBondContact OG-OE2 3.08Å
345	T	93.3	Very high	94	Very high	51 Å²	51	47.4 Å²	47.4	31%	0.313	25%	0.252	S	S	.	.	S	Bend	trans	-132.6	151.9	-178	60.8	0	0	0	0	112.6	E347 E348 A349	T345-E347 WeakPolarHBondContact CB-OE2 3.32Å; T345-E347 PolarHBondContact O-N 3.47Å; T345-E348 PolarHBondContact N-OE2 3.09Å; T345-E348 WeakPolarHBondContact OG1-CG 3.33Å; T345-E348 PolarHBondContact OG1-N 2.89Å; T345-E348 PolarHBondContact OG1-OE2 2.77Å; T345-A349 PolarHBondContact O-N 3.07Å
346	P	92.9	Very high	94.1	Very high	54 Å²	54	47.9 Å²	47.9	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-27.1	175.8	-24.8	35.2	0	0	0	113.8	V296 A349 T350	V296-P346 HydrophobicContact CG1-CG 4.03Å; P346-A349 PolarHBondContact O-N 2.84Å; P346-T350 WeakPolarHBondContact O-CB 3.34Å; P346-T350 PolarHBondContact O-N 3.44Å; P346-T350 PolarHBondContact O-OG1 3.24Å
347	E	93.6	Very high	94.1	Very high	121 Å²	121	46.8 Å²	46.8	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-71	-46.3	-178.5	-64.4	65.1	-140.8	0	0	110.8	T345 A349 T350 R351	T345-E347 WeakPolarHBondContact CB-OE2 3.32Å; T345-E347 PolarHBondContact O-N 3.47Å; E347-A349 VanDerWaalsContact C-N 3.32Å; E347-A349 PolarHBondContact O-N 2.92Å; E347-T350 PolarHBondContact O-N 2.78Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 2.94Å
348	E	95.3	Very high	94.1	Very high	19 Å²	19	50.1 Å²	50.1	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-55.4	-47.3	171	-68.4	167.9	135.2	0	0	111.3	F319 G320 T321 F343 S344 T345 T350 R351 A352	F319-E348 WeakPolarHBondContact O-CB 3.38Å; F319-E348 WeakPolarHBondContact O-CG 3.4Å; G320-E348 WeakPolarHBondContact CA-OE1 3.39Å; T321-E348 PolarHBondContact N-OE1 3Å; F343-E348 HydrophobicContact CB-CB 3.8Å; F343-E348 HydrophobicContact CD1-CB 3.7Å; F343-E348 HydrophobicContact CE1-CB 4.48Å; F343-E348 HydrophobicContact CG-CB 3.8Å; S344-E348 WeakPolarHBondContact CA-OE2 3.26Å; S344-E348 WeakPolarHBondContact CB-OE2 3.47Å; S344-E348 PolarHBondContact N-OE2 2.93Å; S344-E348 PolarHBondContact OG-OE1 2.98Å; S344-E348 PolarHBondContact OG-OE2 3.08Å; T345-E348 PolarHBondContact N-OE2 3.09Å; T345-E348 WeakPolarHBondContact OG1-CG 3.33Å; T345-E348 PolarHBondContact OG1-N 2.89Å; T345-E348 PolarHBondContact OG1-OE2 2.77Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 2.64Å; E348-R351 PolarHBondContact O-N 2.81Å; E348-A352 WeakPolarHBondContact O-CB 3.48Å; E348-A352 PolarHBondContact O-N 2.9Å
349	A	94.9	Very high	93.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-38.3	178.4	0	0	0	0	0	112.5	G295 L298 F343 T345 P346 E347 A352 V353	G295-A349 WeakPolarHBondContact O-CB 3.48Å; L298-A349 HydrophobicContact CD2-CB 3.93Å; L298-A349 HydrophobicContact CG-CB 4.37Å; F343-A349 HydrophobicContact CB-CB 4.28Å; F343-A349 HydrophobicContact CD2-CB 3.94Å; F343-A349 HydrophobicContact CG-CB 4.45Å; T345-A349 PolarHBondContact O-N 3.07Å; P346-A349 PolarHBondContact O-N 2.84Å; E347-A349 VanDerWaalsContact C-N 3.32Å; E347-A349 PolarHBondContact O-N 2.92Å; A349-A352 PolarHBondContact O-N 3.39Å; A349-V353 WeakPolarHBondContact O-CG2 3.43Å; A349-V353 PolarHBondContact O-N 2.96Å
350	T	93.6	Very high	93.6	Very high	76 Å²	76	61 Å²	61	47%	0.466	32%	0.318	S	S	.	.	H	α-helix	trans	-70.4	-40.4	179.1	-59.2	0	0	0	0	111.8	P346 E347 E348 V353 S354	P346-T350 WeakPolarHBondContact O-CB 3.34Å; P346-T350 PolarHBondContact O-N 3.44Å; P346-T350 PolarHBondContact O-OG1 3.24Å; E347-T350 PolarHBondContact O-N 2.78Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 2.64Å; T350-V353 PolarHBondContact O-N 2.82Å; T350-S354 PolarHBondContact O-N 3.01Å; T350-S354 PolarHBondContact O-OG 2.91Å
351	R	94.8	Very high	93.1	Very high	127 Å²	127	59.7 Å²	59.7	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-48.9	171	-68.8	-172.6	-59.1	-155.8	3	111.4	F319 E347 E348 V353 S354 E355	F319-R351 HydrophobicContact CD1-CB 4.38Å; F319-R351 PolarHBondContact O-NH2 3.33Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 2.94Å; E348-R351 PolarHBondContact O-N 2.81Å; R351-V353 VanDerWaalsContact C-N 3.3Å; R351-V353 PolarHBondContact O-N 3.07Å; R351-S354 PolarHBondContact O-N 3.03Å; R351-S354 VanDerWaalsContact O-N 3.07Å; R351-E355 WeakPolarHBondContact O-CB 3.34Å; R351-E355 PolarHBondContact O-N 2.77Å
352	A	95.2	Very high	92.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-36.3	178.1	0	0	0	0	0	113.3	L298 F316 F319 F343 E348 A349 K356	L298-A352 HydrophobicContact CD1-CB 3.69Å; F316-A352 HydrophobicContact CD1-CB 4.08Å; F316-A352 HydrophobicContact CE1-CB 4.31Å; F319-A352 HydrophobicContact CB-CB 3.81Å; F319-A352 HydrophobicContact CD1-CB 4.42Å; F319-A352 HydrophobicContact CD2-CB 3.7Å; F319-A352 HydrophobicContact CG-CB 3.67Å; F343-A352 HydrophobicContact CE2-CB 3.58Å; F343-A352 HydrophobicContact CZ-CB 3.79Å; E348-A352 WeakPolarHBondContact O-CB 3.48Å; E348-A352 PolarHBondContact O-N 2.9Å; A349-A352 PolarHBondContact O-N 3.39Å; A352-K356 WeakPolarHBondContact O-CB 3.37Å; A352-K356 PolarHBondContact O-N 3.19Å; A352-K356 VanDerWaalsContact O-N 3.07Å
353	V	94.5	Very high	92.4	Very high	34 Å²	34	65.9 Å²	65.9	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-48.5	171.5	169.9	0	0	0	0	111	L298 A349 T350 R351 E355 N357 V368	L298-V353 HydrophobicContact CD1-CG2 4.07Å; L298-V353 HydrophobicContact CD2-CG2 3.45Å; L298-V353 VanDerWaalsContact CD2-CG2 3.45Å; L298-V353 HydrophobicContact CG-CG2 4.38Å; A349-V353 WeakPolarHBondContact O-CG2 3.43Å; A349-V353 PolarHBondContact O-N 2.96Å; T350-V353 PolarHBondContact O-N 2.82Å; R351-V353 VanDerWaalsContact C-N 3.3Å; R351-V353 PolarHBondContact O-N 3.07Å; V353-E355 PolarHBondContact O-N 3.3Å; V353-N357 WeakPolarHBondContact O-CB 3.44Å; V353-N357 PolarHBondContact O-N 3.32Å; V353-V368 HydrophobicContact CG2-CG1 4.09Å
354	S	93.4	Very high	92.1	Very high	95 Å²	95	68 Å²	68	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-64.9	-37.1	-178.4	-64.3	0	0	0	0	113.6	T350 R351	T350-S354 PolarHBondContact O-N 3.01Å; T350-S354 PolarHBondContact O-OG 2.91Å; R351-S354 PolarHBondContact O-N 3.03Å; R351-S354 VanDerWaalsContact O-N 3.07Å
355	E	93.2	Very high	92.1	Very high	109 Å²	109	68 Å²	68	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-99.6	-26.5	-169.5	-66.9	-178.5	-116.2	0	0	115	F319 R351 V353 R359	F319-E355 HydrophobicContact CD1-CB 4.45Å; F319-E355 HydrophobicContact CE1-CB 3.59Å; F319-E355 HydrophobicContact CE1-CG 4.26Å; F319-E355 HydrophobicContact CZ-CB 4.09Å; R351-E355 WeakPolarHBondContact O-CB 3.34Å; R351-E355 PolarHBondContact O-N 2.77Å; V353-E355 PolarHBondContact O-N 3.3Å; E355-R359 WeakPolarHBondContact O-CG 3.05Å
356	K	92.3	Very high	92.2	Very high	34 Å²	34	65.7 Å²	65.7	15%	0.148	36%	0.359	C	S	.	.	H	α-helix	trans	-99.5	-16.9	175.9	-72.1	-61.1	-166.6	-166.7	0	115	A315 F316 E318 F319 A352 S358 R359 L366 V368	A315-K356 WeakPolarHBondContact O-CE 3.44Å; F316-K356 HydrophobicContact CE1-CB 4.05Å; F316-K356 HydrophobicContact CE1-CG 4.14Å; F316-K356 HydrophobicContact CZ-CB 4.07Å; F316-K356 HydrophobicContact CZ-CG 4.29Å; E318-K356 WeakPolarHBondContact OE1-CE 3.45Å; E318-K356 IonicContact OE1-NZ 2.6Å; E318-K356 PolarHBondContact OE1-NZ 3.28Å; F319-K356 HydrophobicContact CD2-CG 4.4Å; F319-K356 HydrophobicContact CE2-CD 4.01Å; F319-K356 VanDerWaalsContact CE2-CE 3.46Å; F319-K356 HydrophobicContact CE2-CG 3.35Å; F319-K356 HydrophobicContact CZ-CD 3.99Å; F319-K356 HydrophobicContact CZ-CG 3.55Å; A352-K356 WeakPolarHBondContact O-CB 3.37Å; A352-K356 PolarHBondContact O-N 3.19Å; A352-K356 VanDerWaalsContact O-N 3.07Å; K356-S358 PolarHBondContact O-N 2.95Å; K356-R359 HydrophobicContact CD-CB 4.15Å; K356-R359 HydrophobicContact CD-CG 4.27Å; K356-R359 WeakPolarHBondContact O-CB 3.34Å; K356-R359 PolarHBondContact O-N 3.35Å; K356-L366 HydrophobicContact CB-CD1 4.4Å; K356-V368 HydrophobicContact CB-CG2 3.93Å
357	N	92	Very high	92.3	Very high	65 Å²	65	68.8 Å²	68.8	35%	0.348	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	129.4	174.3	-170.5	43.5	0	0	0	109.7	V353 R359 V368	V353-N357 WeakPolarHBondContact O-CB 3.44Å; V353-N357 PolarHBondContact O-N 3.32Å; N357-R359 PolarHBondContact O-N 3.09Å; N357-V368 HydrophobicContact CB-CB 4.1Å; N357-V368 PolarHBondContact OD1-N 3.04Å
358	S	91	Very high	92.4	Very high	89 Å²	89	63.1 Å²	63.1	62%	0.622	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	7.3	-172.3	-54.7	0	0	0	0	117.2	K356 L366	K356-S358 PolarHBondContact O-N 2.95Å; S358-L366 VanDerWaalsContact CA-O 3.27Å; S358-L366 WeakPolarHBondContact CA-O 3.39Å; S358-L366 PolarHBondContact N-O 3.08Å
359	R	90.4	Very high	92.3	Very high	162 Å²	162	63.3 Å²	63.3	61%	0.611	34%	0.343	S	S	*	.			trans	-73.2	141.3	167	-84.9	-73.7	-164.8	158	3.1	111.1	E355 K356 N357 P365 L366	E355-R359 WeakPolarHBondContact O-CG 3.05Å; K356-R359 HydrophobicContact CD-CB 4.15Å; K356-R359 HydrophobicContact CD-CG 4.27Å; K356-R359 WeakPolarHBondContact O-CB 3.34Å; K356-R359 PolarHBondContact O-N 3.35Å; N357-R359 PolarHBondContact O-N 3.09Å; R359-P365 WeakPolarHBondContact O-CA 3.32Å; R359-L366 PolarHBondContact O-N 3.43Å
360	M	88.4	Confident	92.2	Very high	115 Å²	115	67.5 Å²	67.5	57%	0.567	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.1	170.5	-62.1	-61.5	-69.3	0	0	111.3	S363 P365	M360-S363 WeakPolarHBondContact CE-O 3.33Å; M360-P365 HydrophobicContact SD-CB 3.73Å; M360-P365 HydrophobicContact SD-CG 4.2Å
361	L	86.1	Confident	92	Very high	35 Å²	35	65.2 Å²	65.2	18%	0.183	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	107.6	166.8	-173.2	73.8	0	0	0	108.6	I307 A315 K364 L366	I307-L361 HydrophobicContact CD1-CD2 4.16Å; I307-L361 HydrophobicContact CD1-CG 4.24Å; I307-L361 HydrophobicContact CG1-CD2 4.44Å; A315-L361 HydrophobicContact CB-CD1 3.76Å; A315-L361 HydrophobicContact CB-CD2 3.87Å; L361-K364 PolarHBondContact N-O 2.77Å; L361-L366 HydrophobicContact CB-CD1 3.93Å; L361-L366 HydrophobicContact CB-CD2 3.88Å; L361-L366 HydrophobicContact CB-CG 3.79Å; L361-L366 HydrophobicContact CD2-CD1 4.19Å; L361-L366 HydrophobicContact CD2-CD2 4.07Å
362	G	85.8	Confident	91.6	Very high	55 Å²	55	63.3 Å²	63.3	57%	0.567	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	-140.8	-163.3	0	0	0	0	0	110.8	K364	G362-K364 VanDerWaalsContact C-N 3.28Å; G362-K364 PolarHBondContact O-N 2.67Å
363	S	89.3	Confident	91.1	Very high	82 Å²	82	67.8 Å²	67.8	57%	0.573	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.7	-178.4	65.3	0	0	0	0	114.9	D304 M360	D304-S363 VanDerWaalsContact CG-OG 3.24Å; D304-S363 PolarHBondContact OD1-OG 2.96Å; D304-S363 WeakPolarHBondContact OD2-CB 3.15Å; D304-S363 PolarHBondContact OD2-N 3.18Å; D304-S363 PolarHBondContact OD2-OG 2.93Å; M360-S363 WeakPolarHBondContact CE-O 3.33Å
364	K	90.7	Very high	90.6	Very high	45 Å²	45	75 Å²	75	20%	0.196	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.7	-167.3	-55	-179.1	-161.5	167.4	0	112.7	N302 L303 D304 D305 L361 G362	N302-K364 VanDerWaalsContact O-CB 3.31Å; N302-K364 WeakPolarHBondContact O-CB 3.42Å; L303-K364 PolarHBondContact O-NZ 2.72Å; L303-K364 VanDerWaalsContact O-NZ 3.11Å; D304-K364 HydrophobicContact CB-CD 4.49Å; D304-K364 VanDerWaalsContact OD1-CE 3.24Å; D304-K364 WeakPolarHBondContact OD1-CE 3.37Å; D304-K364 IonicContact OD1-NZ 3.16Å; D305-K364 IonicContact OD1-NZ 3.37Å; D305-K364 PolarHBondContact OD1-NZ 3.11Å; L361-K364 PolarHBondContact N-O 2.77Å; G362-K364 VanDerWaalsContact C-N 3.28Å; G362-K364 PolarHBondContact O-N 2.67Å
365	P	93.4	Very high	90.1	Very high	59 Å²	59	76.1 Å²	76.1	38%	0.383	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.4	170.8	29.4	-32.1	0	0	0	110.6	N302 R359 M360	N302-P365 WeakPolarHBondContact CB-O 3.38Å; N302-P365 PolarHBondContact ND2-O 3.4Å; R359-P365 WeakPolarHBondContact O-CA 3.32Å; M360-P365 HydrophobicContact SD-CB 3.73Å; M360-P365 HydrophobicContact SD-CG 4.2Å
366	L	94.9	Very high	89.7	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	39%	0.385	C	S	.	.			trans	-64.6	144.5	177.7	-65.5	-179.7	0	0	0	111.9	V300 L303 F316 K356 S358 R359 L361 V368	V300-L366 HydrophobicContact CG1-CD2 4.02Å; L303-L366 HydrophobicContact CD2-CD2 3.75Å; F316-L366 HydrophobicContact CE2-CD1 4.11Å; F316-L366 HydrophobicContact CZ-CD1 4.21Å; K356-L366 HydrophobicContact CB-CD1 4.4Å; S358-L366 VanDerWaalsContact CA-O 3.27Å; S358-L366 WeakPolarHBondContact CA-O 3.39Å; S358-L366 PolarHBondContact N-O 3.08Å; R359-L366 PolarHBondContact O-N 3.43Å; L361-L366 HydrophobicContact CB-CD1 3.93Å; L361-L366 HydrophobicContact CB-CD2 3.88Å; L361-L366 HydrophobicContact CB-CG 3.79Å; L361-L366 HydrophobicContact CD2-CD1 4.19Å; L361-L366 HydrophobicContact CD2-CD2 4.07Å; L366-V368 HydrophobicContact CB-CG2 4.03Å; L366-V368 HydrophobicContact CD1-CG2 4.49Å
367	Y	94.6	Very high	89.4	Confident	119 Å²	119	76.6 Å²	76.6	47%	0.467	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.3	159.4	172.9	-90.1	0	0	0	108.2	Y299 V300 K301 A369	Y299-Y367 HydrophobicContact CD1-CD1 4.3Å; Y299-Y367 HydrophobicContact CD1-CE1 4.1Å; Y299-Y367 HydrophobicContact CE1-CD1 4.33Å; Y299-Y367 HydrophobicContact CE1-CE1 4.28Å; V300-Y367 CarbonylContact C-O 3.57Å; V300-Y367 WeakPolarHBondContact CA-O 3.41Å; K301-Y367 HydrophobicContact CB-CD1 4.05Å; K301-Y367 PolarHBondContact N-O 2.77Å; K301-Y367 PolarHBondContact O-N 2.89Å; Y367-A369 HydrophobicContact CE1-CB 3.87Å
368	V	95.9	Very high	89	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.5	-176.7	-171.3	0	0	0	0	109.3	L298 V300 F316 V353 K356 N357 L366	L298-V368 HydrophobicContact CB-CG1 4.48Å; L298-V368 HydrophobicContact CD1-CG1 3.84Å; V300-V368 HydrophobicContact CG1-CG2 4.4Å; F316-V368 HydrophobicContact CE1-CG1 4.04Å; F316-V368 HydrophobicContact CE1-CG2 4.32Å; F316-V368 HydrophobicContact CZ-CG1 4.3Å; F316-V368 HydrophobicContact CZ-CG2 3.86Å; V353-V368 HydrophobicContact CG2-CG1 4.09Å; K356-V368 HydrophobicContact CB-CG2 3.93Å; N357-V368 HydrophobicContact CB-CB 4.1Å; N357-V368 PolarHBondContact OD1-N 3.04Å; L366-V368 HydrophobicContact CB-CG2 4.03Å; L366-V368 HydrophobicContact CD1-CG2 4.49Å
369	A	93.7	Very high	88.6	Confident	23 Å²	23	81.8 Å²	81.8	19%	0.19	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	162.8	178.3	0	0	0	0	0	111.4	L298 Y299 Y367	L298-A369 CarbonylContact C-O 3.32Å; L298-A369 WeakPolarHBondContact CA-O 3.5Å; Y299-A369 PolarHBondContact N-O 2.93Å; Y299-A369 PolarHBondContact O-N 3.02Å; Y299-A369 VanDerWaalsContact O-N 3.15Å; Y367-A369 HydrophobicContact CE1-CB 3.87Å
370	L	92.3	Very high	88.4	Confident	88 Å²	88	80 Å²	80	46%	0.461	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	137.7	172.6	-63.3	176.9	0	0	0	111.6	G295 L298 Q372	G295-L370 VanDerWaalsContact O-CD2 3.27Å; G295-L370 WeakPolarHBondContact O-CD2 3.38Å; L298-L370 HydrophobicContact CD2-CD2 3.79Å; L370-Q372 PolarHBondContact O-N 2.85Å
371	A	90.4	Very high	88.2	Confident	27 Å²	27	78.9 Å²	78.9	22%	0.223	40%	0.396	C	S	.	.			trans	-74.6	87.6	-170.6	0	0	0	0	0	113.7	N297 F340 R373	N297-A371 HydrophobicContact CB-CB 4.12Å; N297-A371 WeakPolarHBondContact O-CB 3.34Å; N297-A371 PolarHBondContact O-N 2.87Å; F340-A371 HydrophobicContact CD1-CB 4.08Å; F340-A371 HydrophobicContact CE1-CB 4.09Å; A371-R373 PolarHBondContact O-N 3.27Å
372	Q	86.5	Confident	88.1	Confident	87 Å²	87	79.4 Å²	79.4	41%	0.407	41%	0.405	S	S	.	.			trans	-64.7	129	173.4	-63.4	-175.5	-6.5	0	0	112.4	L370 R377	L370-Q372 PolarHBondContact O-N 2.85Å; Q372-R377 HydrophobicContact CB-CB 4.49Å; Q372-R377 PolarHBondContact O-NH2 3.31Å
373	R	83.9	Confident	88	Confident	95 Å²	95	79.2 Å²	79.2	36%	0.358	40%	0.395	S	S	.	.			trans	-66.2	156.8	-180	-48.3	179.1	-174.1	147.3	1.1	111.7	Q290 A371 E375 D376 R377	Q290-R373 PolarHBondContact O-NH2 3.36Å; A371-R373 PolarHBondContact O-N 3.27Å; R373-E375 VanDerWaalsContact C-N 3.32Å; R373-E375 PolarHBondContact O-N 3.26Å; R373-D376 HydrophobicContact CB-CB 4.49Å; R373-D376 VanDerWaalsContact CB-OD2 3.29Å; R373-D376 WeakPolarHBondContact CB-OD2 3.36Å; R373-D376 VanDerWaalsContact CD-OD2 3.25Å; R373-D376 WeakPolarHBondContact CD-OD2 3.47Å; R373-D376 WeakPolarHBondContact CG-OD2 3.32Å; R373-D376 IonicContact NE-OD2 2.74Å; R373-R377 WeakPolarHBondContact O-CB 3.27Å; R373-R377 PolarHBondContact O-N 3.35Å
374	K	84.6	Confident	87.8	Confident	186 Å²	186	77.7 Å²	77.7	81%	0.809	38%	0.379	S	S	*	.	H	α-helix	trans	-63.5	-35.8	179.6	-171.9	177.8	-178.8	179.3	0	112.9	R378	K374-R378 VanDerWaalsContact O-CB 3.28Å; K374-R378 WeakPolarHBondContact O-CB 3.42Å; K374-R378 PolarHBondContact O-N 3.44Å
375	E	83.3	Confident	87.4	Confident	117 Å²	117	80.7 Å²	80.7	55%	0.547	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-60.7	178.3	-69	165.3	-174.5	0	0	109.6	K286 R373 R377 R378 A379	K286-E375 IonicContact NZ-OE1 3.04Å; K286-E375 PolarHBondContact NZ-OE1 3.18Å; K286-E375 IonicContact NZ-OE2 3.36Å; K286-E375 PolarHBondContact NZ-OE2 2.78Å; R373-E375 VanDerWaalsContact C-N 3.32Å; R373-E375 PolarHBondContact O-N 3.26Å; E375-R377 VanDerWaalsContact C-N 3.35Å; E375-R377 PolarHBondContact O-N 2.81Å; E375-R378 WeakPolarHBondContact O-CB 3.48Å; E375-R378 PolarHBondContact O-N 2.91Å; E375-A379 PolarHBondContact O-N 2.71Å
376	D	84.6	Confident	86.9	Confident	75 Å²	75	82.5 Å²	82.5	40%	0.401	40%	0.399	S	S	.	.	H	α-helix	trans	-55.3	-44.8	179.2	-34.7	-17.2	0	0	0	112.6	R373 R378 A379 R380	R373-D376 HydrophobicContact CB-CB 4.49Å; R373-D376 VanDerWaalsContact CB-OD2 3.29Å; R373-D376 WeakPolarHBondContact CB-OD2 3.36Å; R373-D376 VanDerWaalsContact CD-OD2 3.25Å; R373-D376 WeakPolarHBondContact CD-OD2 3.47Å; R373-D376 WeakPolarHBondContact CG-OD2 3.32Å; R373-D376 IonicContact NE-OD2 2.74Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 2.74Å; D376-A379 PolarHBondContact O-N 3.41Å; D376-R380 PolarHBondContact O-N 2.88Å
377	R	84.8	Confident	86.3	Confident	79 Å²	79	88.6 Å²	88.6	30%	0.298	43%	0.427	S	S	.	.	H	α-helix	trans	-63.3	-37.2	177.5	-167.6	-170.8	-53	-152.7	1.6	111.8	Q372 R373 E375 L381	Q372-R377 HydrophobicContact CB-CB 4.49Å; Q372-R377 PolarHBondContact O-NH2 3.31Å; R373-R377 WeakPolarHBondContact O-CB 3.27Å; R373-R377 PolarHBondContact O-N 3.35Å; E375-R377 VanDerWaalsContact C-N 3.35Å; E375-R377 PolarHBondContact O-N 2.81Å; R377-L381 HydrophobicContact CG-CD1 4.21Å; R377-L381 WeakPolarHBondContact O-CB 3.14Å; R377-L381 WeakPolarHBondContact O-CD1 3.35Å; R377-L381 VanDerWaalsContact O-CG 3.23Å; R377-L381 WeakPolarHBondContact O-CG 3.17Å; R377-L381 PolarHBondContact O-N 3.5Å
378	R	83.8	Confident	85.7	Confident	201 Å²	201	91.2 Å²	91.2	76%	0.758	44%	0.436	S	S	*	.	H	α-helix	trans	-71.2	-38.3	176.4	-167.5	-178.6	-163.2	-174.5	5.1	111.4	K374 E375 D376 A382	K374-R378 VanDerWaalsContact O-CB 3.28Å; K374-R378 WeakPolarHBondContact O-CB 3.42Å; K374-R378 PolarHBondContact O-N 3.44Å; E375-R378 WeakPolarHBondContact O-CB 3.48Å; E375-R378 PolarHBondContact O-N 2.91Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 2.74Å; R378-A382 VanDerWaalsContact O-CB 3.27Å; R378-A382 WeakPolarHBondContact O-CB 3.21Å; R378-A382 PolarHBondContact O-N 2.71Å
379	A	84.2	Confident	84.7	Confident	62 Å²	62	96.7 Å²	96.7	51%	0.512	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-48.2	173.9	0	0	0	0	0	111.2	E375 D376 L381 A382 S383	E375-A379 PolarHBondContact O-N 2.71Å; D376-A379 PolarHBondContact O-N 3.41Å; A379-L381 PolarHBondContact O-N 2.97Å; A379-A382 WeakPolarHBondContact O-CB 3.04Å; A379-A382 PolarHBondContact O-N 3.41Å; A379-A382 VanDerWaalsContact O-N 3.16Å; A379-S383 PolarHBondContact O-N 3.46Å; A379-S383 PolarHBondContact O-OG 2.82Å
380	R	84.7	Confident	83.8	Confident	124 Å²	124	100.2 Å²	100.2	47%	0.468	48%	0.479	S	S	.	.	H	α-helix	trans	-61.9	-45.8	178.4	-154	-168.5	76.7	-177.2	1.7	112.5	D376 A382 S383 E384	D376-R380 PolarHBondContact O-N 2.88Å; R380-A382 VanDerWaalsContact C-N 3.29Å; R380-A382 PolarHBondContact O-N 3.4Å; R380-S383 WeakPolarHBondContact CA-OG 3.22Å; R380-S383 PolarHBondContact O-N 3.08Å; R380-S383 PolarHBondContact O-OG 3.04Å; R380-E384 IonicContact CZ-OE1 3.92Å; R380-E384 IonicContact NE-OE1 2.67Å; R380-E384 PolarHBondContact NE-OE1 2.87Å; R380-E384 IonicContact NH2-OE1 2.77Å; R380-E384 PolarHBondContact NH2-OE1 2.58Å; R380-E384 VanDerWaalsContact NH2-OE1 3.16Å; R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 VanDerWaalsContact O-CG 3.24Å; R380-E384 WeakPolarHBondContact O-CG 3.11Å; R380-E384 PolarHBondContact O-N 2.81Å
381	L	84.3	Confident	82.7	Confident	92 Å²	92	100.3 Å²	100.3	48%	0.482	48%	0.48	S	S	.	.	H	α-helix	trans	-63.7	-33.3	175.2	-71.7	169.8	0	0	0	112.5	R377 A379 H385	R377-L381 HydrophobicContact CG-CD1 4.21Å; R377-L381 WeakPolarHBondContact O-CB 3.14Å; R377-L381 WeakPolarHBondContact O-CD1 3.35Å; R377-L381 VanDerWaalsContact O-CG 3.23Å; R377-L381 WeakPolarHBondContact O-CG 3.17Å; R377-L381 PolarHBondContact O-N 3.5Å; A379-L381 PolarHBondContact O-N 2.97Å; L381-H385 VanDerWaalsContact O-CB 3.3Å; L381-H385 WeakPolarHBondContact O-CB 3.37Å; L381-H385 PolarHBondContact O-N 2.81Å
382	A	84.4	Confident	81.3	Confident	46 Å²	46	103.9 Å²	103.9	38%	0.38	50%	0.499	S	S	.	.	H	α-helix	trans	-70	-42.6	174.1	0	0	0	0	0	111.9	R378 A379 R380 H385 I386	R378-A382 VanDerWaalsContact O-CB 3.27Å; R378-A382 WeakPolarHBondContact O-CB 3.21Å; R378-A382 PolarHBondContact O-N 2.71Å; A379-A382 WeakPolarHBondContact O-CB 3.04Å; A379-A382 PolarHBondContact O-N 3.41Å; A379-A382 VanDerWaalsContact O-N 3.16Å; R380-A382 VanDerWaalsContact C-N 3.29Å; R380-A382 PolarHBondContact O-N 3.4Å; A382-H385 PolarHBondContact O-N 2.92Å; A382-I386 VanDerWaalsContact O-CG1 3.28Å; A382-I386 WeakPolarHBondContact O-CG1 3.15Å; A382-I386 PolarHBondContact O-N 3.23Å
383	S	83.9	Confident	79.7	Confident	50 Å²	50	110 Å²	110	35%	0.35	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-41.5	174.2	53.7	0	0	0	0	112.1	A379 R380 H385 I386 Q387	A379-S383 PolarHBondContact O-N 3.46Å; A379-S383 PolarHBondContact O-OG 2.82Å; R380-S383 WeakPolarHBondContact CA-OG 3.22Å; R380-S383 PolarHBondContact O-N 3.08Å; R380-S383 PolarHBondContact O-OG 3.04Å; S383-H385 VanDerWaalsContact C-N 3.27Å; S383-H385 PolarHBondContact O-N 2.94Å; S383-I386 PolarHBondContact O-N 2.93Å; S383-Q387 WeakPolarHBondContact O-CB 3.49Å; S383-Q387 VanDerWaalsContact O-CG 3.25Å; S383-Q387 WeakPolarHBondContact O-CG 3.39Å; S383-Q387 PolarHBondContact O-N 3.13Å
384	E	85.8	Confident	78.3	Confident	51 Å²	51	113.7 Å²	113.7	24%	0.238	54%	0.537	C	S	.	.	H	α-helix	trans	-58.3	-39.2	172.6	-72.4	169.5	-140.3	0	0	111.3	R380 R388	R380-E384 IonicContact CZ-OE1 3.92Å; R380-E384 IonicContact NE-OE1 2.67Å; R380-E384 PolarHBondContact NE-OE1 2.87Å; R380-E384 IonicContact NH2-OE1 2.77Å; R380-E384 PolarHBondContact NH2-OE1 2.58Å; R380-E384 VanDerWaalsContact NH2-OE1 3.16Å; R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 VanDerWaalsContact O-CG 3.24Å; R380-E384 WeakPolarHBondContact O-CG 3.11Å; R380-E384 PolarHBondContact O-N 2.81Å; E384-R388 VanDerWaalsContact O-CG 3.28Å; E384-R388 WeakPolarHBondContact O-CG 3.3Å; E384-R388 PolarHBondContact O-N 2.87Å; E384-R388 VanDerWaalsContact O-N 3.12Å
385	H	81.9	Confident	76.6	Confident	107 Å²	107	111.3 Å²	111.3	50%	0.495	53%	0.529	S	S	.	.	H	α-helix	trans	-71.5	-43.8	178.2	-172.5	75.2	0	0	0	112.9	L381 A382 S383 R388 M389	L381-H385 VanDerWaalsContact O-CB 3.3Å; L381-H385 WeakPolarHBondContact O-CB 3.37Å; L381-H385 PolarHBondContact O-N 2.81Å; A382-H385 PolarHBondContact O-N 2.92Å; S383-H385 VanDerWaalsContact C-N 3.27Å; S383-H385 PolarHBondContact O-N 2.94Å; H385-R388 PolarHBondContact O-N 3.11Å; H385-M389 WeakPolarHBondContact NE2-CE 3.49Å; H385-M389 PolarHBondContact O-N 2.83Å
386	I	82.6	Confident	74.8	Confident	98 Å²	98	113.2 Å²	113.2	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-42.4	176.9	-68.3	163.5	0	0	0	110.7	A382 S383 R388 M389 N390	A382-I386 VanDerWaalsContact O-CG1 3.28Å; A382-I386 WeakPolarHBondContact O-CG1 3.15Å; A382-I386 PolarHBondContact O-N 3.23Å; S383-I386 PolarHBondContact O-N 2.93Å; I386-R388 PolarHBondContact O-N 3.44Å; I386-M389 PolarHBondContact O-N 2.88Å; I386-N390 PolarHBondContact O-N 2.97Å
387	Q	82.8	Confident	72.5	Confident	131 Å²	131	115.6 Å²	115.6	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-60.3	-43.4	174.4	-75.8	172.6	-14.4	0	0	111.8	S383 N390 N391	S383-Q387 WeakPolarHBondContact O-CB 3.49Å; S383-Q387 VanDerWaalsContact O-CG 3.25Å; S383-Q387 WeakPolarHBondContact O-CG 3.39Å; S383-Q387 PolarHBondContact O-N 3.13Å; Q387-N390 PolarHBondContact O-N 3.03Å; Q387-N391 WeakPolarHBondContact O-CB 3.44Å; Q387-N391 PolarHBondContact O-N 3.29Å
388	R	82.1	Confident	70.3	Confident	174 Å²	174	114.6 Å²	114.6	66%	0.657	57%	0.571	S	S	*	*	H	α-helix	trans	-60.8	-47.9	173.7	-73.6	175.4	-165.6	-160.8	6.2	112	E384 H385 I386 N390 N391 T392	E384-R388 VanDerWaalsContact O-CG 3.28Å; E384-R388 WeakPolarHBondContact O-CG 3.3Å; E384-R388 PolarHBondContact O-N 2.87Å; E384-R388 VanDerWaalsContact O-N 3.12Å; H385-R388 PolarHBondContact O-N 3.11Å; I386-R388 PolarHBondContact O-N 3.44Å; R388-N390 VanDerWaalsContact C-N 3.34Å; R388-N390 PolarHBondContact O-N 3.43Å; R388-N391 PolarHBondContact O-N 3.32Å; R388-T392 PolarHBondContact O-N 2.93Å; R388-T392 PolarHBondContact O-OG1 3.14Å; R388-T392 VanDerWaalsContact O-OG1 3.04Å
389	M	74.9	Confident	68.2	Low	117 Å²	117	112.6 Å²	112.6	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-59.5	-42.2	178.2	-78.9	-171.6	160.8	0	0	112.8	H385 I386 R393	H385-M389 WeakPolarHBondContact NE2-CE 3.49Å; H385-M389 PolarHBondContact O-N 2.83Å; I386-M389 PolarHBondContact O-N 2.88Å; M389-R393 PolarHBondContact O-N 3.23Å
390	N	74	Confident	65.9	Low	98 Å²	98	116.8 Å²	116.8	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-64.3	-42.7	175.3	-76.3	-5.9	0	0	0	111.6	I386 Q387 R388 R393	I386-N390 PolarHBondContact O-N 2.97Å; Q387-N390 PolarHBondContact O-N 3.03Å; R388-N390 VanDerWaalsContact C-N 3.34Å; R388-N390 PolarHBondContact O-N 3.43Å; N390-R393 WeakPolarHBondContact O-CB 3.41Å; N390-R393 PolarHBondContact O-N 2.89Å; N390-R393 VanDerWaalsContact O-N 3.17Å
391	N	69.3	Low	63.8	Low	90 Å²	90	118.5 Å²	118.5	48%	0.481	60%	0.601	S	S	.	*	H	α-helix	trans	-67.1	-40.4	-179.6	-162.6	61	0	0	0	112.5	Q387 R388 R393 F394 Q395	Q387-N391 WeakPolarHBondContact O-CB 3.44Å; Q387-N391 PolarHBondContact O-N 3.29Å; R388-N391 PolarHBondContact O-N 3.32Å; N391-R393 PolarHBondContact O-N 2.86Å; N391-F394 PolarHBondContact O-N 3.37Å; N391-F394 VanDerWaalsContact O-N 3.15Å; N391-Q395 PolarHBondContact ND2-NE2 3.17Å; N391-Q395 VanDerWaalsContact ND2-NE2 3.19Å; N391-Q395 PolarHBondContact O-N 3.12Å
392	T	60.7	Low	61.5	Low	101 Å²	101	121.1 Å²	121.1	62%	0.62	62%	0.615	S	S	*	*	H	α-helix	trans	-59.6	-30.7	173.2	-50.8	0	0	0	0	112.1	R388 F394	R388-T392 PolarHBondContact O-N 2.93Å; R388-T392 PolarHBondContact O-OG1 3.14Å; R388-T392 VanDerWaalsContact O-OG1 3.04Å; T392-F394 VanDerWaalsContact C-N 3.3Å; T392-F394 PolarHBondContact O-N 3.38Å
393	R	53.6	Low	59.3	Low	215 Å²	215	129.2 Å²	129.2	81%	0.811	64%	0.637	S	S	*	*	H	α-helix	trans	-72.6	-18.8	179.5	-157.1	173.8	-168.3	164.7	4.7	114	M389 N390 N391	M389-R393 PolarHBondContact O-N 3.23Å; N390-R393 WeakPolarHBondContact O-CB 3.41Å; N390-R393 PolarHBondContact O-N 2.89Å; N390-R393 VanDerWaalsContact O-N 3.17Å; N391-R393 PolarHBondContact O-N 2.86Å
394	F	53.1	Low	57.4	Low	174 Å²	174	133.1 Å²	133.1	76%	0.763	66%	0.661	S	S	*	*	H	α-helix	trans	-102.1	-11.5	-179.9	-87.3	-85.6	0	0	0	114.5	N391 T392	N391-F394 PolarHBondContact O-N 3.37Å; N391-F394 VanDerWaalsContact O-N 3.15Å; T392-F394 VanDerWaalsContact C-N 3.3Å; T392-F394 PolarHBondContact O-N 3.38Å
395	Q	50.1	Low	55.3	Low	136 Å²	136	133.2 Å²	133.2	64%	0.636	68%	0.676	S	S	*	*	S	Bend	trans	-92.7	10	-175.3	-69	-169.5	-8.2	0	0	115.5	N391	N391-Q395 PolarHBondContact ND2-NE2 3.17Å; N391-Q395 VanDerWaalsContact ND2-NE2 3.19Å; N391-Q395 PolarHBondContact O-N 3.12Å
396	H	44.2	Very low	53.3	Low	156 Å²	156	134.1 Å²	134.1	72%	0.722	69%	0.691	S	S	*	*			trans	-122.4	61.6	167.7	-89.5	-69.7	0	0	0	113.9	G398	H396-G398 PolarHBondContact O-N 2.73Å
397	P	37	Very low	51.1	Low	126 Å²	126	132.9 Å²	132.9	82%	0.818	70%	0.703	S	S	*	*			trans	-78	61.2	166.7	36.5	-35.3	0	0	0	110.6
398	G	38.9	Very low	48.9	Very low	57 Å²	57	137 Å²	137	59%	0.588	71%	0.714	S	S	*	*			trans	155.8	79.2	178.8	0	0	0	0	0	116.1	H396	H396-G398 PolarHBondContact O-N 2.73Å
399	I	39.8	Very low	46.8	Very low	160 Å²	160	138.5 Å²	138.5	82%	0.821	73%	0.726	S	S	*	*				-137	123.6	128	-92.2	159.6	0	0	0	104.8
400	N	36.2	Very low	45	Very low	150 Å²	150	140 Å²	140	80%	0.802	74%	0.736	S	S	*	*			trans	-107.6	170.1	171.8	-163.3	5.1	0	0	0	108
401	Q	41.1	Very low	43.1	Very low	160 Å²	160	144.7 Å²	144.7	75%	0.748	75%	0.754	S	S	*	*			trans	94.4	142.6	-178.8	-55.3	-71.7	7.8	0	0	117.5
402	L	35.8	Very low	41.6	Very low	147 Å²	147	145 Å²	145	77%	0.77	76%	0.764	S	S	*	*			trans	65.1	100.1	168.5	-90.6	65.1	0	0	0	119.6
403	Y	37.6	Very low	40.5	Very low	216 Å²	216	144.8 Å²	144.8	85%	0.847	77%	0.772	S	S	*	*			trans	34.1	132.1	132	-79.8	-85.9	0	0	0	120.6
404	P	44.2	Very low	39.8	Very low	131 Å²	131	143.6 Å²	143.6	85%	0.851	78%	0.778	S	S	*	*				-136.9	160.7	85.5	38.4	-27.4	0	0	0	115.7
405	G	42.4	Very low	39.2	Very low	54 Å²	54	141.2 Å²	141.2	56%	0.557	78%	0.783	S	S	*	*			trans	-90.3	172.4	177	0	0	0	0	0	114.8	G407	G405-G407 PolarHBondContact O-N 2.94Å; G405-G407 VanDerWaalsContact O-N 3.1Å
406	P	38.6	Very low	38.8	Very low	125 Å²	125	139.8 Å²	139.8	81%	0.812	79%	0.794	S	S	*	*			trans	-78.3	93.2	-174.1	31.5	-35.1	0	0	0	112.8	Y408	P406-Y408 PolarHBondContact O-N 2.9Å
407	G	37.5	Very low	38.7	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	80%	0.799	S	S	*	*			trans	-82.2	105	173.2	0	0	0	0	0	112.9	G405	G405-G407 PolarHBondContact O-N 2.94Å; G405-G407 VanDerWaalsContact O-N 3.1Å
408	Y	36.3	Very low	39.1	Very low	216 Å²	216	136.8 Å²	136.8	85%	0.847	80%	0.797	S	S	*	*			trans	-66.1	128.4	163.6	-60	-102.7	0	0	0	109.6	P406	P406-Y408 PolarHBondContact O-N 2.9Å
409	F	37.1	Very low	39.1	Very low	206 Å²	206	144.7 Å²	144.7	90%	0.904	81%	0.809	S	S	*	*			trans	-142.9	124.2	155.7	-97.5	-68.3	0	0	0	114.2
410	L	36.7	Very low	39.2	Very low	148 Å²	148	141 Å²	141	78%	0.775	79%	0.794	S	S	*	*			trans	-59.9	142.6	166.8	-174.4	73.6	0	0	0	110.3
411	H	34.9	Very low	39.4	Very low	197 Å²	197	143.1 Å²	143.1	91%	0.912	79%	0.792	S	S	*	*			trans	-112.6	91.7	165.8	-125.5	58.8	0	0	0	109.3
412	S	38.3	Very low	39.3	Very low	98 Å²	98	141.9 Å²	141.9	69%	0.685	79%	0.789	S	S	*	*			trans	-87.7	145.8	172.3	-161.3	0	0	0	0	110.1
413	A	37.5	Very low	39.3	Very low	95 Å²	95	140.9 Å²	140.9	79%	0.785	79%	0.789	S	S	*	*			trans	-76.1	147.9	-179.4	0	0	0	0	0	111.6
414	M	38.6	Very low	39.3	Very low	191 Å²	191	134.8 Å²	134.8	94%	0.941	78%	0.784	S	S	*	*			trans	-127.7	130.9	165.5	-76	-163.4	146.5	0	0	111.3
415	S	41.4	Very low	39.1	Very low	124 Å²	124	133 Å²	133	87%	0.867	78%	0.78	S	S	*	*			trans	-88.4	167.3	174.3	44.2	0	0	0	0	111.2
416	A	40.3	Very low	39	Very low	106 Å²	106	136.8 Å²	136.8	88%	0.876	79%	0.793	S	S	*	*			trans	-94.8	142.8	-170.2	0	0	0	0	0	114.1
417	A	43.4	Very low	39.1	Very low	100 Å²	100	139.2 Å²	139.2	83%	0.826	80%	0.795	S	S	*	*			trans	-157.3	148.6	140.1	0	0	0	0	0	109.9
418	P	44.7	Very low	39.4	Very low	119 Å²	119	141.5 Å²	141.5	77%	0.773	80%	0.797	S	S	*	*			trans	-118.7	-180	-168.7	42.2	-32.3	0	0	0	115.3
419	R	39.4	Very low	39.6	Very low	222 Å²	222	137.3 Å²	137.3	84%	0.838	79%	0.794	S	S	*	*			trans	110.8	141.9	164	-66.9	-161	172.3	-161.3	-1.8	115.4
420	T	40.8	Very low	39.9	Very low	82 Å²	82	133.6 Å²	133.6	50%	0.503	79%	0.788	S	S	.	*			cis	-168.5	158.5	-15.3	23.7	0	0	0	0	109.7
421	Y	41.4	Very low	40.5	Very low	195 Å²	195	131.8 Å²	131.8	77%	0.765	79%	0.785	S	S	*	*			trans	71.9	151.3	158.2	-51.3	-39.3	0	0	0	116.9
422	I	39.7	Very low	41.2	Very low	135 Å²	135	127.9 Å²	127.9	69%	0.692	78%	0.777	S	S	*	*			cis	-156.7	153.1	-9.3	-118.4	169	0	0	0	110.9
423	T	34.9	Very low	41.4	Very low	125 Å²	125	132.6 Å²	132.6	77%	0.767	79%	0.788	S	S	*	*			trans	13.2	156.2	160.3	66.7	0	0	0	0	123.7
424	A	38.2	Very low	41.5	Very low	88 Å²	88	134.2 Å²	134.2	73%	0.727	79%	0.788	S	S	*	*			cis	-179.3	173.4	-17.3	0	0	0	0	0	110.7
425	A	39.4	Very low	41.4	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	79%	0.789	S	S	*	*			trans	70	158.3	163.7	0	0	0	0	0	116.9
426	T	41	Very low	41.4	Very low	135 Å²	135	134.8 Å²	134.8	83%	0.828	78%	0.783	S	S	*	*			cis	-146	157.3	9	-31.9	0	0	0	0	111.7
427	M	39.7	Very low	41.4	Very low	175 Å²	175	136.1 Å²	136.1	86%	0.862	78%	0.78	S	S	*	*			trans	-114.8	157.3	167.3	-70.9	-92.8	-165.5	0	0	109.2
428	P	43.8	Very low	41.5	Very low	122 Å²	122	137.2 Å²	137.2	79%	0.792	78%	0.779	S	S	*	*				-156.9	178.9	97.5	40.4	-19.9	0	0	0	118.4
429	T	40.3	Very low	41.1	Very low	127 Å²	127	141.2 Å²	141.2	78%	0.779	78%	0.779	S	S	*	*			trans	-34.9	171.1	167.1	55.4	0	0	0	0	119.3
430	V	43.3	Very low	41	Very low	128 Å²	128	142 Å²	142	78%	0.776	78%	0.782	S	S	*	*			cis	-160.7	156.6	38	-166.3	0	0	0	0	111.5
431	P	48.8	Very low	40.9	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	78%	0.783	S	S	*	*			trans	-98.8	-153.2	169.7	43	-39.7	0	0	0	112.2
432	P	49.8	Very low	40.9	Very low	114 Å²	114	139.2 Å²	139.2	74%	0.74	78%	0.78	S	S	*	*			cis	-133.4	-176.3	-18.2	43.2	-27.3	0	0	0	114.8
433	Q	42.7	Very low	40.9	Very low	198 Å²	198	139.3 Å²	139.3	93%	0.925	78%	0.782	S	S	*	*			trans	-162.3	-179.9	148.3	-118.4	-175.8	27.6	0	0	115.9
434	V	39.2	Very low	41.1	Very low	129 Å²	129	137 Å²	137	78%	0.782	78%	0.775	S	S	*	*			trans	-145	138.3	-153.1	177	0	0	0	0	115.5
435	R	38	Very low	41	Very low	255 Å²	255	138.2 Å²	138.2	96%	0.962	77%	0.774	S	S	*	*			trans	175.4	155.2	146.8	-99.5	164.1	-178.9	-170.4	0.4	109.7
436	G	41.3	Very low	40.9	Very low	71 Å²	71	141.6 Å²	141.6	73%	0.732	78%	0.776	S	S	*	*			cis	-167.2	-179.7	-2	0	0	0	0	0	111.7
437	T	40.9	Very low	40.7	Very low	134 Å²	134	141.2 Å²	141.2	82%	0.822	77%	0.773	S	S	*	*			trans	-132.9	164.6	-177.6	65.8	0	0	0	0	112
438	P	44.8	Very low	40.5	Very low	124 Å²	124	144.3 Å²	144.3	81%	0.805	78%	0.775	S	S	*	*				-155.5	-162.5	95.9	39.9	-19.8	0	0	0	114.9
439	R	35.3	Very low	40.2	Very low	202 Å²	202	141.8 Å²	141.8	76%	0.762	77%	0.771	S	S	*	*				177	123.6	-62.2	-174.7	-171.6	-157.9	-127.6	8.7	111.8
440	W	36.8	Very low	39.8	Very low	239 Å²	239	145 Å²	145	91%	0.905	78%	0.778	S	S	*	*			trans	-151.5	107	157.2	-76.7	95.5	0	0	0	108.2
441	V	39	Very low	39.4	Very low	87 Å²	87	143.4 Å²	143.4	53%	0.527	78%	0.778	S	S	.	*				25.1	138.2	96.8	-72	0	0	0	0	116.2
442	N	41.8	Very low	38.6	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	79%	0.789	S	S	*	*			cis	-152.1	170.9	11.6	-134.2	12.2	0	0	0	109.7
443	N	39.3	Very low	37.9	Very low	137 Å²	137	145.6 Å²	145.6	73%	0.733	79%	0.789	S	S	*	*			cis	-147.3	-153.8	2.1	-156.6	9.9	0	0	0	106.6
444	A	38.9	Very low	37.4	Very low	75 Å²	75	144.9 Å²	144.9	62%	0.62	79%	0.788	S	S	*	*			cis	-157.2	-168.1	2.5	0	0	0	0	0	112.4
445	T	37.9	Very low	37.2	Very low	114 Å²	114	147.9 Å²	147.9	70%	0.699	80%	0.795	S	S	*	*			trans	-60.4	152.6	169.8	50.5	0	0	0	0	114.3
446	M	36.2	Very low	37.2	Very low	164 Å²	164	143.3 Å²	143.3	81%	0.808	79%	0.785	S	S	*	*			cis	-172.3	159.4	4.2	-115.2	174.4	-172.4	0	0	107.5
447	T	36.3	Very low	37.2	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	78%	0.783	S	S	*	*			cis	-152.6	156.6	-9.7	-25.1	0	0	0	0	107.4
448	R	36.1	Very low	37.2	Very low	240 Å²	240	149.4 Å²	149.4	91%	0.906	79%	0.786	S	S	*	*			trans	-154.3	126.8	171.2	-171.2	169.7	-179.8	164.3	0	113.2
449	G	36.8	Very low	37	Very low	69 Å²	69	149 Å²	149	71%	0.711	78%	0.784	S	S	*	*			trans	-75.5	157.8	172.6	0	0	0	0	0	113.4
450	Q	32.8	Very low	37.4	Very low	196 Å²	196	148.6 Å²	148.6	92%	0.916	79%	0.79	S	S	*	*			trans	-75.4	139.3	177.8	-67.4	170.7	-32.4	0	0	111.8
451	A	34.6	Very low	37.4	Very low	94 Å²	94	142.2 Å²	142.2	78%	0.777	79%	0.788	S	S	*	*			trans	-153.7	114.6	159	0	0	0	0	0	109.1
452	L	31.2	Very low	37.2	Very low	180 Å²	180	146 Å²	146	94%	0.942	80%	0.802	S	S	*	*			trans	-78.4	121	166.1	-85.9	73.6	0	0	0	108.2
453	A	37.1	Very low	37.1	Very low	90 Å²	90	144.8 Å²	144.8	74%	0.744	81%	0.81	S	S	*	*			trans	-147.4	111.9	169	0	0	0	0	0	111.8
454	M	30.5	Very low	36.9	Very low	184 Å²	184	149.2 Å²	149.2	91%	0.906	82%	0.817	S	S	*	*			trans	-13.9	129.3	155.1	-57.7	-68.8	-177.3	0	0	115.9
455	M	34.8	Very low	36.9	Very low	191 Å²	191	150.7 Å²	150.7	94%	0.941	83%	0.829	S	S	*	*			trans	-135.6	107	157.7	-161.6	169.7	-175.1	0	0	110.9
456	Q	39.6	Very low	36.9	Very low	159 Å²	159	157.1 Å²	157.1	74%	0.743	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-74.9	143.4	-178.3	-79	-82.8	-3.6	0	0	112.2
457	P	41.5	Very low	37	Very low	105 Å²	105	153.4 Å²	153.4	68%	0.682	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-73.9	134.6	160.5	31.7	-32.3	0	0	0	110.3	P459	P457-P459 WeakPolarHBondContact O-CD 3.48Å
458	Y	40.1	Very low	37.6	Very low	229 Å²	229	153.1 Å²	153.1	90%	0.898	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-68.2	122.3	175.7	-88.8	-93.1	0	0	0	111.5
459	P	41.4	Very low	37.7	Very low	116 Å²	116	147.5 Å²	147.5	75%	0.753	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-77.8	134.6	170.6	31.4	-33	0	0	0	110.9	P457 A461	P457-P459 WeakPolarHBondContact O-CD 3.48Å; P459-A461 PolarHBondContact O-N 2.77Å
460	Q	43.5	Very low	37.8	Very low	193 Å²	193	152.5 Å²	152.5	90%	0.902	84%	0.836	S	S	*	*			trans	-78.2	112.1	168.1	-68	174.9	-77	0	0	109	M462	Q460-M462 PolarHBondContact O-N 3.49Å
461	A	36.4	Very low	38.2	Very low	104 Å²	104	149.8 Å²	149.8	86%	0.86	83%	0.832	S	S	*	*			trans	-67.8	114.8	-177.3	0	0	0	0	0	112	P459	P459-A461 PolarHBondContact O-N 2.77Å
462	M	34.6	Very low	38.4	Very low	167 Å²	167	149.6 Å²	149.6	82%	0.823	83%	0.831	S	S	*	*			trans	-74.7	121.5	166.1	-72.2	-171	179.9	0	0	110.3	Q460 R464	Q460-M462 PolarHBondContact O-N 3.49Å; M462-R464 PolarHBondContact O-N 3.33Å
463	A	38.6	Very low	38.8	Very low	106 Å²	106	145.3 Å²	145.3	88%	0.876	82%	0.821	S	S	*	*			trans	-85.8	94.8	164.7	0	0	0	0	0	109.8
464	R	35.1	Very low	39.2	Very low	231 Å²	231	146.6 Å²	146.6	87%	0.872	82%	0.822	S	S	*	*			trans	-114.6	104.9	169.9	-104.6	-177.4	166	179.7	-4.6	109.7	M462	M462-R464 PolarHBondContact O-N 3.33Å
465	A	40.8	Very low	39.6	Very low	106 Å²	106	142.4 Å²	142.4	88%	0.876	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-90.7	152.4	164.8	0	0	0	0	0	110.1
466	R	37.8	Very low	40	Very low	248 Å²	248	139 Å²	139	94%	0.936	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-90.5	149.5	-173.9	-71.8	172.1	164.1	166	-7.9	112.5
467	A	37.8	Very low	40.1	Very low	87 Å²	87	136.5 Å²	136.5	72%	0.719	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-92.2	168.8	153.3	0	0	0	0	0	109.9
468	P	48.1	Very low	39.9	Very low	121 Å²	121	135 Å²	135	79%	0.786	82%	0.82	S	S	*	*				-141.4	161.5	99.7	36.5	-22.2	0	0	0	116.7
469	T	38.9	Very low	40	Very low	122 Å²	122	130.8 Å²	130.8	75%	0.748	82%	0.817	S	S	*	*			trans	-38.3	159.6	159.8	47.2	0	0	0	0	116.4
470	M	39.7	Very low	39.7	Very low	173 Å²	173	136.4 Å²	136.4	85%	0.852	82%	0.823	S	S	*	*			cis	-121	-143	11.9	-69.7	-174.6	174.7	0	0	111.2
471	V	40.3	Very low	39.2	Very low	139 Å²	139	131.8 Å²	131.8	84%	0.842	82%	0.819	S	S	*	*			cis	-149.8	164.7	9.1	-159.9	0	0	0	0	110.8
472	A	38.5	Very low	39.2	Very low	90 Å²	90	136.6 Å²	136.6	74%	0.744	82%	0.823	S	S	*	*			trans	-79.6	167.4	168.6	0	0	0	0	0	112.9
473	A	40.2	Very low	39.2	Very low	90 Å²	90	133.5 Å²	133.5	74%	0.744	82%	0.824	S	S	*	*			cis	-162.4	-143.8	-15.6	0	0	0	0	0	109.3
474	P	44.5	Very low	39	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	83%	0.825	S	S	*	*				-122.4	150	-91.9	36.8	-23.3	0	0	0	117.6
475	A	40.3	Very low	38.9	Very low	97 Å²	97	126.6 Å²	126.6	80%	0.802	83%	0.825	S	S	*	*			trans	56.7	169.7	142.8	0	0	0	0	0	120.3
476	P	43.4	Very low	38.8	Very low	119 Å²	119	126 Å²	126	77%	0.773	82%	0.82	S	S	*	*			cis	-131.6	-176.9	-1.9	43.3	-27.3	0	0	0	116.4
477	A	39.9	Very low	38.8	Very low	106 Å²	106	123 Å²	123	88%	0.876	82%	0.817	S	S	*	*			trans	66.6	124.7	154.1	0	0	0	0	0	121.2
478	G	39	Very low	38.7	Very low	75 Å²	75	127.2 Å²	127.2	77%	0.773	82%	0.824	S	S	*	*			trans	160.8	81.7	166.1	0	0	0	0	0	118.7
479	V	42.2	Very low	38.3	Very low	140 Å²	140	132.2 Å²	132.2	85%	0.848	83%	0.827	S	S	*	*			trans	49.5	108.9	142.4	-172.6	0	0	0	0	121.2
480	R	34.1	Very low	38.2	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	83%	0.83	S	S	*	*			trans	67.7	85.9	136	-160.5	177.9	-174.5	162.4	-0.1	121.7
481	A	32.6	Very low	38.1	Very low	97 Å²	97	135.8 Å²	135.8	80%	0.802	84%	0.835	S	S	*	*				36.5	116.6	126.9	0	0	0	0	0	122
482	Q	37.4	Very low	37.9	Very low	205 Å²	205	134.1 Å²	134.1	96%	0.958	83%	0.83	S	S	*	*			trans	-145.7	159.6	141.6	-130.4	175	6.9	0	0	110.7
483	A	34.9	Very low	37.7	Very low	101 Å²	101	134.9 Å²	134.9	84%	0.835	84%	0.836	S	S	*	*			trans	-102.9	120.6	-173.7	0	0	0	0	0	112
484	G	33	Very low	37.2	Very low	88 Å²	88	134.3 Å²	134.3	91%	0.907	84%	0.839	S	S	*	*			trans	-87.6	117.7	175.6	0	0	0	0	0	112.4
485	A	34	Very low	36.7	Very low	105 Å²	105	137.6 Å²	137.6	87%	0.868	85%	0.845	S	S	*	*			trans	-138.6	76.8	175.6	0	0	0	0	0	111.4
486	A	38.4	Very low	36.2	Very low	94 Å²	94	139.3 Å²	139.3	78%	0.777	84%	0.844	S	S	*	*			trans	-149.9	158.4	170.6	0	0	0	0	0	108.1
487	Q	36.8	Very low	35.7	Very low	185 Å²	185	141 Å²	141	86%	0.864	85%	0.846	S	S	*	*			cis	-142.6	151.5	14.3	-55.5	157.5	-47.3	0	0	110.2
488	M	37.6	Very low	35.4	Very low	174 Å²	174	144.1 Å²	144.1	86%	0.857	84%	0.842	S	S	*	*				-159.6	104.9	120.8	-126.8	-175.4	-178.5	0	0	114.1
489	R	38.4	Very low	35	Very low	227 Å²	227	149.2 Å²	149.2	86%	0.857	85%	0.846	S	S	*	*			trans	43.5	122.3	146	-66	-174.2	172.1	-175.5	-4	121.2
490	Q	36.6	Very low	34.8	Very low	173 Å²	173	148.5 Å²	148.5	81%	0.808	84%	0.844	S	S	*	*			trans	-62.2	155.9	150.6	-57.3	148.4	-49.3	0	0	111.3
491	M	38.7	Very low	34.6	Very low	196 Å²	196	148.7 Å²	148.7	97%	0.966	85%	0.845	S	S	*	*			trans	-136.2	156.1	132.9	-84.5	-164.1	164.3	0	0	108.6
492	S	34.6	Very low	34.8	Very low	105 Å²	105	154 Å²	154	73%	0.734	85%	0.85	S	S	*	*			trans	-122.7	-174.4	-157.2	-55.7	0	0	0	0	112.8
493	A	34.9	Very low	34.9	Very low	105 Å²	105	150 Å²	150	87%	0.868	84%	0.839	S	S	*	*			trans	71.8	126.4	176.6	0	0	0	0	0	114.7
494	G	30.4	Very low	34.8	Very low	79 Å²	79	148.5 Å²	148.5	81%	0.814	83%	0.834	S	S	*	*			trans	-115.7	-176.6	-179.2	0	0	0	0	0	112.5
495	Q	33.7	Very low	35.1	Very low	186 Å²	186	150.8 Å²	150.8	87%	0.869	83%	0.833	S	S	*	*			trans	-142.9	147.9	155.4	-114.9	-178.1	1.5	0	0	109.7
496	V	28.8	Very low	35.1	Very low	132 Å²	132	155.4 Å²	155.4	80%	0.8	84%	0.837	S	S	*	*			trans	-93.7	123.9	178.6	177.4	0	0	0	0	108.4
497	I	34.4	Very low	35	Very low	155 Å²	155	154.7 Å²	154.7	80%	0.795	84%	0.839	S	S	*	*			trans	-126	136.5	166.7	-62.5	-176.5	0	0	0	108.2
498	Q	33.1	Very low	35.1	Very low	171 Å²	171	150.7 Å²	150.7	80%	0.799	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-89.9	156.8	-164.2	-60	170.7	5.4	0	0	112.4
499	Q	30.6	Very low	35.1	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-84.1	133	162.6	-65.1	178.1	3.4	0	0	109.6	R501	Q499-R501 PolarHBondContact O-N 3.07Å
500	P	38.2	Very low	35.1	Very low	125 Å²	125	147.7 Å²	147.7	81%	0.812	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-70.2	123.8	163	-14.1	29.6	0	0	0	109.8
501	R	30.6	Very low	35.3	Very low	236 Å²	236	143.9 Å²	143.9	89%	0.891	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-74.2	143.2	159.8	-75.8	178.4	169.9	175.5	-3.9	108.5	Q499	Q499-R501 PolarHBondContact O-N 3.07Å
502	F	36.9	Very low	35.5	Very low	210 Å²	210	140.2 Å²	140.2	92%	0.921	83%	0.827	S	S	*	*			trans	-112.5	125.8	159.2	-124	-87.2	0	0	0	109.2
503	T	38.4	Very low	35.7	Very low	119 Å²	119	143.5 Å²	143.5	73%	0.73	83%	0.833	S	S	*	*			trans	-99.8	144.8	174.3	45.7	0	0	0	0	109.5
504	G	32.1	Very low	35.9	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	83%	0.829	S	S	*	*			trans	-75.3	-169.6	179.2	0	0	0	0	0	113.7
505	P	40.9	Very low	36.2	Very low	137 Å²	137	149.3 Å²	149.3	89%	0.89	83%	0.833	S	S	*	*				-125.2	177.8	121.2	37.6	-33.5	0	0	0	113.1
506	Q	32.9	Very low	36.4	Very low	201 Å²	201	145.6 Å²	145.6	94%	0.939	83%	0.834	S	S	*	*			trans	-86.6	151.4	-172.7	-63.9	160.6	-15.7	0	0	112.5
507	G	36.7	Very low	36.6	Very low	80 Å²	80	144.4 Å²	144.4	83%	0.825	84%	0.838	S	S	*	*			trans	-147.4	140.1	163.9	0	0	0	0	0	108.4
508	A	38.7	Very low	37	Very low	100 Å²	100	141.8 Å²	141.8	83%	0.826	84%	0.839	S	S	*	*			trans	-116.1	164.1	-162.2	0	0	0	0	0	114.4
509	A	38	Very low	37.6	Very low	101 Å²	101	139.4 Å²	139.4	84%	0.835	84%	0.839	S	S	*	*			trans	71.1	157.5	163.3	0	0	0	0	0	118.4
510	R	37	Very low	38.1	Very low	237 Å²	237	138.6 Å²	138.6	89%	0.894	84%	0.839	S	S	*	*			cis	-171.2	140.8	-30.6	-174.7	174.8	-174.3	-171.4	1.4	109.5
511	A	41.3	Very low	38.2	Very low	93 Å²	93	140.4 Å²	140.4	77%	0.769	84%	0.838	S	S	*	*			trans	71.4	161.7	163.8	0	0	0	0	0	120.2
512	P	44.2	Very low	38.6	Very low	119 Å²	119	136.5 Å²	136.5	77%	0.773	83%	0.832	S	S	*	*			trans	-137.7	-158.4	-163.9	39.7	-16.7	0	0	0	115.6
513	M	38.6	Very low	38.6	Very low	175 Å²	175	136 Å²	136	86%	0.862	83%	0.833	S	S	*	*			trans	94.9	163.7	161.3	-75.1	-165.9	172.1	0	0	121.2
514	S	39	Very low	38.6	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	84%	0.837	S	S	*	*			trans	67.2	128.3	-168.7	68.2	0	0	0	0	114.7
515	Q	36.5	Very low	38.8	Very low	194 Å²	194	144.1 Å²	144.1	91%	0.907	84%	0.843	S	S	*	*			cis	74.7	104.3	28.7	-60.2	-167.2	12.3	0	0	116.3
516	A	37.1	Very low	38.7	Very low	108 Å²	108	146.6 Å²	146.6	89%	0.893	84%	0.843	S	S	*	*			trans	-164.7	155.8	142.3	0	0	0	0	0	109.4
517	A	34.2	Very low	38.8	Very low	107 Å²	107	145 Å²	145	88%	0.884	84%	0.836	S	S	*	*			trans	-148.1	144.1	175.6	0	0	0	0	0	111.6
518	A	42.9	Very low	38.8	Very low	99 Å²	99	148.4 Å²	148.4	82%	0.818	83%	0.83	S	S	*	*			trans	-160.6	143.4	163.8	0	0	0	0	0	110.7
519	P	45.2	Very low	38.6	Very low	121 Å²	121	151.7 Å²	151.7	79%	0.786	83%	0.828	S	S	*	*			trans	-110.6	170.1	179.9	40.9	-33.8	0	0	0	113.7
520	I	41	Very low	38.4	Very low	166 Å²	166	158.5 Å²	158.5	85%	0.851	83%	0.832	S	S	*	*			trans	169.2	145.2	156.6	-97.8	161.3	0	0	0	107.9
521	M	38.9	Very low	38.2	Very low	163 Å²	163	154.3 Å²	154.3	80%	0.803	83%	0.833	S	S	*	*			cis	-138.5	-123.3	2.9	-145.6	-169.3	-174	0	0	113.7
522	M	39.6	Very low	37.9	Very low	155 Å²	155	154.5 Å²	154.5	76%	0.764	84%	0.835	S	S	*	*			trans	-104.3	147.3	-171.3	-63.2	169.9	164.8	0	0	114.4
523	Q	37.7	Very low	37.2	Very low	200 Å²	200	157.7 Å²	157.7	94%	0.935	84%	0.842	S	S	*	*				-156.9	165.1	107.1	-124.6	-179.9	11.3	0	0	111.2
524	Q	37.1	Very low	37	Very low	177 Å²	177	156.8 Å²	156.8	83%	0.827	84%	0.839	S	S	*	*			trans	-106.2	137.6	-167.8	-63	172.8	-16.2	0	0	112.5
525	Q	37.6	Very low	36.8	Very low	181 Å²	181	157.4 Å²	157.4	85%	0.846	84%	0.84	S	S	*	*				-171.6	135	112.1	-100.4	173.6	17.8	0	0	112.6
526	Q	37.7	Very low	36.7	Very low	190 Å²	190	152.8 Å²	152.8	89%	0.888	84%	0.835	S	S	*	*			trans	37.8	107.8	161	-62.8	-178.4	-1.1	0	0	120.2
527	Q	35.9	Very low	36.4	Very low	168 Å²	168	151.1 Å²	151.1	79%	0.785	83%	0.829	S	S	*	*			trans	-76.8	176.8	153.9	-50.5	166.3	-14.1	0	0	108.7
528	Q	36.4	Very low	36.3	Very low	151 Å²	151	151.2 Å²	151.2	71%	0.706	83%	0.829	S	S	*	*				177.8	156.6	51.8	-129.4	177.7	65.4	0	0	106.1
529	Q	35.3	Very low	35.8	Very low	169 Å²	169	150.6 Å²	150.6	79%	0.79	82%	0.824	S	S	*	*			cis	-133	167	7.1	-75.6	170.3	4.6	0	0	111
530	R	33.4	Very low	35.3	Very low	244 Å²	244	150.5 Å²	150.5	92%	0.921	82%	0.824	S	S	*	*			trans	-123.5	147.8	170.6	-90.5	178.8	162.6	-174.5	-3.8	109.7
531	T	32.8	Very low	34.9	Very low	148 Å²	148	149.6 Å²	149.6	91%	0.908	82%	0.816	S	S	*	*			trans	-139.3	161.7	153.1	10.6	0	0	0	0	110.3
532	A	34.7	Very low	34.5	Very low	98 Å²	98	148.1 Å²	148.1	81%	0.81	82%	0.816	S	S	*	*			trans	-74.3	145.6	-154.3	0	0	0	0	0	115.7
533	M	29.4	Very low	34	Very low	186 Å²	186	149.8 Å²	149.8	92%	0.916	82%	0.815	S	S	*	*			trans	-87.5	133.8	166.3	-70.5	-177.5	171.2	0	0	111.2
534	I	34.6	Very low	33.8	Very low	155 Å²	155	145 Å²	145	80%	0.795	79%	0.791	S	S	*	*			trans	-131.1	115.7	151.8	-57	179.1	0	0	0	106.9	A536	I534-A536 PolarHBondContact O-N 3.05Å
535	P	34.4	Very low	33.5	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	78%	0.776	S	S	*	*			trans	-77.7	91	-175.8	30.2	-34	0	0	0	111.5	G537	P535-G537 PolarHBondContact O-N 3.18Å
536	A	34	Very low	33.3	Very low	96 Å²	96	137 Å²	137	79%	0.793	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63.3	132.2	169.8	0	0	0	0	0	110.8	I534	I534-A536 PolarHBondContact O-N 3.05Å
537	G	32	Very low	33	Very low	74 Å²	74	133.2 Å²	133.2	76%	0.763	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-65.7	145.2	-169.8	0	0	0	0	0	114.6	P535 A539	P535-G537 PolarHBondContact O-N 3.18Å; G537-A539 PolarHBondContact O-N 3.21Å
538	A	31.8	Very low	32.9	Very low	108 Å²	108	129.8 Å²	129.8	89%	0.893	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-57.7	122.5	-174.8	0	0	0	0	0	113.7
539	A	32.9	Very low	32.8	Very low	86 Å²	86	125.4 Å²	125.4	71%	0.711	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-81.3	143.4	163.4	0	0	0	0	0	110.1	G537 Q541	G537-A539 PolarHBondContact O-N 3.21Å; A539-Q541 PolarHBondContact O-N 3.04Å
540	P	34.4	Very low	32.6	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68.6	133.2	-179.4	27.4	-34	0	0	0	111.8	T542	P540-T542 PolarHBondContact O-N 2.92Å
541	Q	32.2	Very low	32.6	Very low	148 Å²	148	124.1 Å²	124.1	69%	0.692	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-52	127.4	-179.6	-73.7	-79.3	-20.6	0	0	113	A539 Y543	A539-Q541 PolarHBondContact O-N 3.04Å; Q541-Y543 HydrophobicContact CB-CD1 4.47Å; Q541-Y543 HydrophobicContact CB-CE1 3.87Å
542	T	31.3	Very low	32.7	Very low	131 Å²	131	122.5 Å²	122.5	80%	0.804	74%	0.74	S	S	*	*			trans	-105	101.1	167.6	40	0	0	0	0	109.7	P540 K544	P540-T542 PolarHBondContact O-N 2.92Å; T542-K544 PolarHBondContact O-N 3.12Å
543	Y	29.3	Very low	32.7	Very low	191 Å²	191	123.9 Å²	123.9	75%	0.749	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-64.5	116.4	-172.4	-47.6	-78.5	0	0	0	112.3	Q541	Q541-Y543 HydrophobicContact CB-CD1 4.47Å; Q541-Y543 HydrophobicContact CB-CE1 3.87Å
544	K	32	Very low	32.8	Very low	100 Å²	100	124 Å²	124	44%	0.435	74%	0.737	S	S	.	*	P	Polyproline II helix	trans	-82.3	163.1	167.2	-108.7	-166.3	-178.5	-175.8	0	110.4	T542 D620 D623	T542-K544 PolarHBondContact O-N 3.12Å; K544-D620 IonicContact NZ-OD1 2.87Å; K544-D620 PolarHBondContact NZ-OD1 2.92Å; K544-D620 IonicContact NZ-OD2 2.81Å; K544-D620 PolarHBondContact NZ-OD2 3.18Å; K544-D623 IonicContact NZ-OD1 2.83Å; K544-D623 PolarHBondContact NZ-OD1 2.72Å; K544-D623 IonicContact NZ-OD2 2.68Å
545	Y	31.8	Very low	32.8	Very low	126 Å²	126	125.5 Å²	125.5	49%	0.494	74%	0.74	S	S	.	*	P	Polyproline II helix	trans	-78.1	144.9	-173.3	-100.7	-124.8	0	0	0	114.6	C43 L52 Y54	C43-Y545 WeakPolarHBondContact CB-OH 3.44Å; C43-Y545 PolarHBondContact SG-OH 3.07Å; L52-Y545 HydrophobicContact CD1-CE2 3.92Å; L52-Y545 VanDerWaalsContact CD1-OH 3.27Å; L52-Y545 WeakPolarHBondContact CD1-OH 3.31Å; Y54-Y545 WeakPolarHBondContact OH-CE2 3.39Å; Y54-Y545 PolarHBondContact OH-OH 3Å
546	G	32.1	Very low	32.6	Very low	64 Å²	64	124.9 Å²	124.9	66%	0.66	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-101.5	136.2	160.9	0	0	0	0	0	111.4	A548	G546-A548 PolarHBondContact O-N 2.69Å
547	S	32.9	Very low	32.6	Very low	110 Å²	110	125 Å²	125	77%	0.769	75%	0.747	S	S	*	*			trans	-100.6	43.3	-166.1	43.7	0	0	0	0	115
548	A	32.9	Very low	32.6	Very low	95 Å²	95	127.8 Å²	127.8	79%	0.785	75%	0.749	S	S	*	*			trans	-132.5	84.7	-175.1	0	0	0	0	0	114.1	G546	G546-A548 PolarHBondContact O-N 2.69Å
549	A	33.8	Very low	32.5	Very low	60 Å²	60	132.1 Å²	132.1	50%	0.496	75%	0.748	S	S	.	*			trans	-158	64.6	173.3	0	0	0	0	0	112.8	R41 N551	R41-A549 PolarHBondContact NH1-O 3.41Å; R41-A549 PolarHBondContact NH2-O 2.94Å; A549-N551 PolarHBondContact O-N 3.37Å
550	R	31.5	Very low	32.3	Very low	232 Å²	232	137.4 Å²	137.4	88%	0.875	76%	0.758	S	S	*	*			trans	-89.5	89.3	-178.8	-163	178.8	-163.8	167.6	3.9	110.6	V552	R550-V552 HydrophobicContact CG-CG2 4.29Å; R550-V552 PolarHBondContact O-N 3.5Å
551	N	34	Very low	32.1	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-66.5	119.2	165.2	-79.9	7	0	0	0	108.4	A549	A549-N551 PolarHBondContact O-N 3.37Å
552	V	35.6	Very low	32	Very low	113 Å²	113	136.2 Å²	136.2	69%	0.685	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-102.5	122	172	-179.7	0	0	0	0	107.3	R550	R550-V552 HydrophobicContact CG-CG2 4.29Å; R550-V552 PolarHBondContact O-N 3.5Å
553	V	34.4	Very low	32	Very low	128 Å²	128	135.7 Å²	135.7	78%	0.776	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-76	127.7	170.7	177.8	0	0	0	0	107.8	Q555	V553-Q555 PolarHBondContact O-N 3.02Å
554	Q	30.6	Very low	32.2	Very low	188 Å²	188	130.6 Å²	130.6	88%	0.879	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-75.1	117.3	175.5	-69.1	174.1	-69.1	0	0	110
555	Q	35.7	Very low	32.6	Very low	186 Å²	186	134.7 Å²	134.7	87%	0.869	78%	0.783	S	S	*	*			trans	-113.8	140.3	152.3	-75.9	-173.3	-15.7	0	0	108.1	V553 A557	V553-Q555 PolarHBondContact O-N 3.02Å; Q555-A557 PolarHBondContact O-N 2.86Å
556	A	28.7	Very low	33.1	Very low	113 Å²	113	138.2 Å²	138.2	93%	0.934	80%	0.804	S	S	*	*			trans	-84.3	111.4	-173.2	0	0	0	0	0	110.8
557	A	35.1	Very low	34	Very low	99 Å²	99	135.8 Å²	135.8	82%	0.818	78%	0.778	S	S	*	*			trans	-135.3	147	165.7	0	0	0	0	0	109.5	Q555	Q555-A557 PolarHBondContact O-N 2.86Å
558	T	32.7	Very low	35.2	Very low	132 Å²	132	131.6 Å²	131.6	81%	0.81	75%	0.747	S	S	*	*			trans	-65.5	137.3	-169	45.1	0	0	0	0	114.6
559	F	28.3	Very low	36.2	Very low	200 Å²	200	132.9 Å²	132.9	88%	0.877	74%	0.74	S	S	*	*			trans	21.5	106.4	149.3	-86.7	-98.5	0	0	0	118.6
560	Q	29.4	Very low	37.5	Very low	196 Å²	196	130.8 Å²	130.8	92%	0.916	72%	0.722	S	S	*	*				-179.1	132.3	123.5	-100	169.5	22.1	0	0	111.6
561	G	30.7	Very low	38.6	Very low	74 Å²	74	128.8 Å²	128.8	76%	0.763	72%	0.722	S	S	*	*			trans	74.9	130.6	163.7	0	0	0	0	0	117.9
562	I	28.4	Very low	39.6	Very low	168 Å²	168	125.5 Å²	125.5	86%	0.862	72%	0.724	S	S	*	*			trans	-99.6	114.4	165.5	-57.7	174	0	0	0	108.2	A564	I562-A564 PolarHBondContact O-N 3.09Å
563	P	32.8	Very low	40.8	Very low	120 Å²	120	123 Å²	123	78%	0.779	71%	0.705	S	S	*	*			trans	-75.1	121.6	168.7	29.7	-31.5	0	0	0	109.8
564	A	33.1	Very low	42.2	Very low	84 Å²	84	124 Å²	124	69%	0.694	70%	0.701	S	S	*	*			trans	-65.1	161.6	177.3	0	0	0	0	0	112.4	I562 Q566	I562-A564 PolarHBondContact O-N 3.09Å; A564-Q566 PolarHBondContact O-N 2.74Å; A564-Q566 VanDerWaalsContact O-N 3.08Å
565	Q	39.5	Very low	44	Very low	187 Å²	187	117.6 Å²	117.6	87%	0.874	68%	0.676	S	S	*	*			trans	-65	110.1	169.6	-72.5	-175.9	-15.7	0	0	109.7	G567	Q565-G567 PolarHBondContact O-N 2.82Å
566	Q	42.8	Very low	45.9	Very low	199 Å²	199	109 Å²	109	93%	0.93	64%	0.636	S	S	*	*			trans	-70.1	94.5	176.4	-68.2	170.5	-34.1	0	0	109.9	A564	A564-Q566 PolarHBondContact O-N 2.74Å; A564-Q566 VanDerWaalsContact O-N 3.08Å
567	G	51	Low	48.1	Very low	13 Å²	13	105.3 Å²	105.3	13%	0.134	60%	0.602	C	S	.	*			trans	-77.1	161.5	158.6	0	0	0	0	0	110.5	Q565 L569 L576	Q565-G567 PolarHBondContact O-N 2.82Å; G567-L569 PolarHBondContact O-N 3.25Å; G567-L576 WeakPolarHBondContact CA-O 3.38Å
568	I	59	Low	50	Low	23 Å²	23	104 Å²	104	12%	0.118	58%	0.584	C	S	.	*	B	Isolated β-bridge	trans	-68.4	110.1	-176.1	-57.9	-178.2	0	0	0	109.3	V570 L576 R596 L625 L628 E629	I568-V570 HydrophobicContact CG2-CG2 4.47Å; I568-L576 HydrophobicContact CB-CB 4.47Å; I568-L576 PolarHBondContact N-O 2.68Å; I568-L576 PolarHBondContact O-N 2.92Å; I568-R596 PolarHBondContact O-NH1 3.42Å; I568-L625 HydrophobicContact CD1-CD2 3.56Å; I568-L628 HydrophobicContact CD1-CB 3.81Å; I568-L628 HydrophobicContact CG2-CB 4.18Å; I568-E629 HydrophobicContact CD1-CG 3.84Å; I568-E629 HydrophobicContact CG1-CG 4.25Å
569	L	53.5	Low	52.1	Low	121 Å²	121	101.8 Å²	101.8	63%	0.634	57%	0.574	S	S	*	*			trans	-104.9	88.8	-171.1	-151.2	161.7	0	0	0	109.7	G567 P575	G567-L569 PolarHBondContact O-N 3.25Å; L569-P575 HydrophobicContact CB-CB 4.45Å; L569-P575 HydrophobicContact CD1-CB 4.38Å; L569-P575 HydrophobicContact CG-CB 4.32Å
570	V	60.9	Low	54.5	Low	17 Å²	17	95.5 Å²	95.5	10%	0.103	55%	0.548	C	S	.	.			trans	-80.3	139.4	167.8	175.2	0	0	0	0	108	I568 G572 Q573 L600	I568-V570 HydrophobicContact CG2-CG2 4.47Å; V570-G572 PolarHBondContact O-N 3.34Å; V570-Q573 PolarHBondContact O-N 3.48Å; V570-Q573 VanDerWaalsContact O-N 3.16Å; V570-L600 HydrophobicContact CG1-CD2 4.19Å; V570-L600 HydrophobicContact CG1-CG 4.31Å; V570-L600 HydrophobicContact CG2-CD1 3.97Å; V570-L600 HydrophobicContact CG2-CG 4.46Å
571	H	54.9	Low	57	Low	190 Å²	190	86.6 Å²	86.6	88%	0.88	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.5	-169.5	-126	68.3	0	0	0	111.6
572	G	53.6	Low	59.3	Low	85 Å²	85	87.5 Å²	87.5	88%	0.876	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	4.5	178.8	0	0	0	0	0	117.1	V570	V570-G572 PolarHBondContact O-N 3.34Å
573	Q	60.9	Low	61.9	Low	60 Å²	60	84.1 Å²	84.1	28%	0.28	49%	0.493	S	S	.	.	S	Bend	trans	-127.9	151.5	177.2	-56.6	-177.6	2.2	0	0	113.5	V570 E595 R596	V570-Q573 PolarHBondContact O-N 3.48Å; V570-Q573 VanDerWaalsContact O-N 3.16Å; Q573-E595 PolarHBondContact NE2-O 2.91Å; Q573-E595 PolarHBondContact OE1-O 3.31Å; Q573-R596 VanDerWaalsContact OE1-CZ 3.23Å
574	E	64	Low	64.2	Low	148 Å²	148	79 Å²	79	69%	0.692	46%	0.461	S	S	*	.			trans	-57.1	135.7	178.2	-70.8	-161.1	135.8	0	0	112.2	L576 R596	E574-L576 PolarHBondContact O-N 3.23Å; E574-R596 PolarHBondContact O-NH1 2.92Å; E574-R596 PolarHBondContact O-NH2 3.03Å
575	P	69.6	Low	66.7	Low	54 Å²	54	81.6 Å²	81.6	35%	0.351	46%	0.458	S	S	.	.			trans	-59.8	118.1	-172.7	23.9	-34.5	0	0	0	112.4	L569 T577	L569-P575 HydrophobicContact CB-CB 4.45Å; L569-P575 HydrophobicContact CD1-CB 4.38Å; L569-P575 HydrophobicContact CG-CB 4.32Å; P575-T577 PolarHBondContact O-N 2.88Å; P575-T577 VanDerWaalsContact O-N 3.08Å
576	L	75.1	Confident	68.8	Low	6 Å²	6	76.8 Å²	76.8	3%	0.031	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-74.1	108	-175.4	-174.8	62.5	0	0	0	109.1	G567 I568 E574 L581 M592 L593 R596	G567-L576 WeakPolarHBondContact CA-O 3.38Å; I568-L576 HydrophobicContact CB-CB 4.47Å; I568-L576 PolarHBondContact N-O 2.68Å; I568-L576 PolarHBondContact O-N 2.92Å; E574-L576 PolarHBondContact O-N 3.23Å; L576-L581 HydrophobicContact CD1-CD1 4.47Å; L576-L581 HydrophobicContact CD1-CD2 4.28Å; L576-L581 HydrophobicContact CD1-CG 3.99Å; L576-L581 HydrophobicContact CD2-CD1 4.03Å; L576-L581 HydrophobicContact CD2-CD2 4.38Å; L576-L581 HydrophobicContact CD2-CG 4.31Å; L576-L581 HydrophobicContact CG-CD1 4.15Å; L576-L581 HydrophobicContact CG-CG 4.22Å; L576-M592 HydrophobicContact CD1-CB 4.2Å; L576-M592 HydrophobicContact CD1-SD 4.12Å; L576-L593 HydrophobicContact CD2-CD2 3.93Å; L576-R596 HydrophobicContact CB-CG 4.34Å; L576-R596 HydrophobicContact CD2-CG 3.74Å
577	T	75.6	Confident	70.8	Confident	35 Å²	35	75.5 Å²	75.5	22%	0.215	44%	0.437	C	S	.	.			trans	-92.3	149.3	177.2	67.3	0	0	0	0	111	P575 S579 M580 L581	P575-T577 PolarHBondContact O-N 2.88Å; P575-T577 VanDerWaalsContact O-N 3.08Å; T577-S579 PolarHBondContact O-N 3.39Å; T577-S579 VanDerWaalsContact O-N 3.14Å; T577-M580 HydrophobicContact CG2-SD 4.44Å; T577-M580 PolarHBondContact O-N 2.92Å; T577-M580 VanDerWaalsContact O-N 3.15Å; T577-M580 VanDerWaalsContact OG1-CG 3.31Å; T577-M580 WeakPolarHBondContact OG1-CG 3.37Å; T577-M580 PolarHBondContact OG1-N 3.27Å; T577-M580 PolarHBondContact OG1-SD 2.85Å; T577-L581 PolarHBondContact O-N 3.28Å
578	T	74	Confident	72.5	Confident	72 Å²	72	79.6 Å²	79.6	44%	0.442	45%	0.453	S	S	.	.	H	α-helix	trans	-57.4	-27.5	171.5	-35.8	0	0	0	0	111.8	S582	T578-S582 WeakPolarHBondContact O-CB 3.3Å; T578-S582 PolarHBondContact O-N 3.38Å; T578-S582 PolarHBondContact O-OG 2.88Å
579	S	76.3	Confident	73.8	Confident	85 Å²	85	80.3 Å²	80.3	59%	0.594	46%	0.456	S	S	*	.	H	α-helix	trans	-61.4	-54	174.5	-164.7	0	0	0	0	111.5	T577 L581 S582 S583	T577-S579 PolarHBondContact O-N 3.39Å; T577-S579 VanDerWaalsContact O-N 3.14Å; S579-L581 VanDerWaalsContact C-N 3.35Å; S579-L581 PolarHBondContact O-N 3.08Å; S579-S582 PolarHBondContact O-N 2.83Å; S579-S582 PolarHBondContact O-OG 2.83Å; S579-S583 PolarHBondContact O-N 3.26Å; S579-S583 VanDerWaalsContact O-N 3.09Å; S579-S583 PolarHBondContact O-OG 3.17Å
580	M	79.2	Confident	75.5	Confident	68 Å²	68	77.3 Å²	77.3	34%	0.335	44%	0.437	S	S	.	.	H	α-helix	trans	-58.2	-44.6	-179	-68.8	160.7	82.7	0	0	112	T577 S582 S583 A584	T577-M580 HydrophobicContact CG2-SD 4.44Å; T577-M580 PolarHBondContact O-N 2.92Å; T577-M580 VanDerWaalsContact O-N 3.15Å; T577-M580 VanDerWaalsContact OG1-CG 3.31Å; T577-M580 WeakPolarHBondContact OG1-CG 3.37Å; T577-M580 PolarHBondContact OG1-N 3.27Å; T577-M580 PolarHBondContact OG1-SD 2.85Å; M580-S582 VanDerWaalsContact C-N 3.35Å; M580-S582 PolarHBondContact O-N 2.8Å; M580-S583 PolarHBondContact O-N 2.84Å; M580-S583 PolarHBondContact O-OG 3.44Å; M580-A584 PolarHBondContact O-N 2.94Å
581	L	81.5	Confident	76.8	Confident	9 Å²	9	82.2 Å²	82.2	5%	0.047	46%	0.459	C	S	.	.	H	α-helix	trans	-61.3	-41	173.4	-73.2	169.7	0	0	0	112.3	L576 T577 S579 S583 A584 Q589 M592 L593 L625	L576-L581 HydrophobicContact CD1-CD1 4.47Å; L576-L581 HydrophobicContact CD1-CD2 4.28Å; L576-L581 HydrophobicContact CD1-CG 3.99Å; L576-L581 HydrophobicContact CD2-CD1 4.03Å; L576-L581 HydrophobicContact CD2-CD2 4.38Å; L576-L581 HydrophobicContact CD2-CG 4.31Å; L576-L581 HydrophobicContact CG-CD1 4.15Å; L576-L581 HydrophobicContact CG-CG 4.22Å; T577-L581 PolarHBondContact O-N 3.28Å; S579-L581 VanDerWaalsContact C-N 3.35Å; S579-L581 PolarHBondContact O-N 3.08Å; L581-S583 VanDerWaalsContact C-N 3.29Å; L581-S583 PolarHBondContact O-N 3.33Å; L581-A584 PolarHBondContact O-N 3.08Å; L581-Q589 HydrophobicContact CD2-CB 4.2Å; L581-Q589 HydrophobicContact CD2-CG 4.36Å; L581-Q589 WeakPolarHBondContact O-CG 3.49Å; L581-Q589 PolarHBondContact O-NE2 2.78Å; L581-Q589 VanDerWaalsContact O-NE2 3.13Å; L581-M592 HydrophobicContact CD2-CB 4.38Å; L581-M592 HydrophobicContact CD2-CE 4.1Å; L581-L593 HydrophobicContact CD1-CD2 4.23Å; L581-L593 HydrophobicContact CD2-CD1 4.3Å; L581-L593 HydrophobicContact CD2-CD2 4.39Å; L581-L593 HydrophobicContact CD2-CG 3.99Å; L581-L625 HydrophobicContact CD1-CD1 3.82Å; L581-L625 HydrophobicContact CD1-CD2 3.69Å; L581-L625 HydrophobicContact CD1-CG 3.96Å
582	S	79.9	Confident	78.4	Confident	93 Å²	93	74.9 Å²	74.9	65%	0.65	43%	0.426	S	S	*	.	H	α-helix	trans	-69.9	-22.6	-178.6	73.2	0	0	0	0	114.4	T578 S579 M580	T578-S582 WeakPolarHBondContact O-CB 3.3Å; T578-S582 PolarHBondContact O-N 3.38Å; T578-S582 PolarHBondContact O-OG 2.88Å; S579-S582 PolarHBondContact O-N 2.83Å; S579-S582 PolarHBondContact O-OG 2.83Å; M580-S582 VanDerWaalsContact C-N 3.35Å; M580-S582 PolarHBondContact O-N 2.8Å
583	S	82.8	Confident	80.2	Confident	98 Å²	98	70.8 Å²	70.8	69%	0.685	38%	0.384	S	S	*	.	H	α-helix	trans	-88	-22.5	177.2	43.7	0	0	0	0	114.6	S579 M580 L581	S579-S583 PolarHBondContact O-N 3.26Å; S579-S583 VanDerWaalsContact O-N 3.09Å; S579-S583 PolarHBondContact O-OG 3.17Å; M580-S583 PolarHBondContact O-N 2.84Å; M580-S583 PolarHBondContact O-OG 3.44Å; L581-S583 VanDerWaalsContact C-N 3.29Å; L581-S583 PolarHBondContact O-N 3.33Å
584	A	81.9	Confident	81.7	Confident	13 Å²	13	68.5 Å²	68.5	11%	0.107	38%	0.376	C	S	.	.	S	Bend	trans	-81.6	157.2	-172.8	0	0	0	0	0	113.8	M580 L581 E588 Q589 M592	M580-A584 PolarHBondContact O-N 2.94Å; L581-A584 PolarHBondContact O-N 3.08Å; A584-E588 VanDerWaalsContact CA-OE2 3.3Å; A584-E588 WeakPolarHBondContact CA-OE2 3.49Å; A584-E588 HydrophobicContact CB-CB 4.18Å; A584-E588 HydrophobicContact CB-CG 3.87Å; A584-E588 WeakPolarHBondContact CB-OE2 3.02Å; A584-Q589 HydrophobicContact CB-CG 3.83Å; A584-Q589 PolarHBondContact O-NE2 2.91Å; A584-M592 HydrophobicContact CB-CE 3.31Å
585	Q	85.8	Confident	83	Confident	137 Å²	137	65.7 Å²	65.7	64%	0.64	36%	0.363	S	S	*	.			trans	-62.3	151.5	170.3	-74.1	-76.8	-1.6	0	0	111.2	Q587 E588 Q589	Q585-Q587 PolarHBondContact O-N 2.87Å; Q585-Q587 VanDerWaalsContact O-N 3.08Å; Q585-E588 HydrophobicContact CB-CB 4.05Å; Q585-E588 PolarHBondContact N-OE2 2.78Å; Q585-E588 WeakPolarHBondContact O-CB 3.47Å; Q585-E588 PolarHBondContact O-N 2.95Å; Q585-Q589 WeakPolarHBondContact O-CG 3.31Å; Q585-Q589 PolarHBondContact O-N 3.26Å
586	P	82.5	Confident	84	Confident	87 Å²	87	63.9 Å²	63.9	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-56.3	-32.4	-177	-28.2	36.1	0	0	0	115.1	K590	P586-K590 WeakPolarHBondContact O-CG 3.43Å; P586-K590 PolarHBondContact O-N 3.36Å
587	Q	84.4	Confident	84.8	Confident	171 Å²	171	63.6 Å²	63.6	80%	0.799	35%	0.348	S	S	*	.	H	α-helix	trans	-77.2	-36.3	177.6	-170.2	166.4	-9	0	0	112.4	Q585 K590 Q591	Q585-Q587 PolarHBondContact O-N 2.87Å; Q585-Q587 VanDerWaalsContact O-N 3.08Å; Q587-K590 WeakPolarHBondContact O-CB 3.09Å; Q587-K590 PolarHBondContact O-N 3.11Å; Q587-Q591 PolarHBondContact O-N 2.77Å
588	E	87	Confident	85.7	Confident	99 Å²	99	66.7 Å²	66.7	46%	0.463	36%	0.356	S	S	.	.	H	α-helix	trans	-68.3	-36.6	173.7	-176.2	-176.9	-149.6	0	0	111.4	A584 Q585 K590 Q591 M592	A584-E588 VanDerWaalsContact CA-OE2 3.3Å; A584-E588 WeakPolarHBondContact CA-OE2 3.49Å; A584-E588 HydrophobicContact CB-CB 4.18Å; A584-E588 HydrophobicContact CB-CG 3.87Å; A584-E588 WeakPolarHBondContact CB-OE2 3.02Å; Q585-E588 HydrophobicContact CB-CB 4.05Å; Q585-E588 PolarHBondContact N-OE2 2.78Å; Q585-E588 WeakPolarHBondContact O-CB 3.47Å; Q585-E588 PolarHBondContact O-N 2.95Å; E588-K590 VanDerWaalsContact C-N 3.32Å; E588-K590 PolarHBondContact O-N 3.27Å; E588-Q591 PolarHBondContact O-N 3.39Å; E588-M592 HydrophobicContact CG-CE 4.42Å; E588-M592 PolarHBondContact O-N 3.06Å
589	Q	87	Confident	86.5	Confident	38 Å²	38	65.8 Å²	65.8	18%	0.178	35%	0.351	C	S	.	.	H	α-helix	trans	-59.4	-40.5	168.8	-68.6	177.2	33.2	0	0	112.2	L581 A584 Q585 L593 N621	L581-Q589 HydrophobicContact CD2-CB 4.2Å; L581-Q589 HydrophobicContact CD2-CG 4.36Å; L581-Q589 WeakPolarHBondContact O-CG 3.49Å; L581-Q589 PolarHBondContact O-NE2 2.78Å; L581-Q589 VanDerWaalsContact O-NE2 3.13Å; A584-Q589 HydrophobicContact CB-CG 3.83Å; A584-Q589 PolarHBondContact O-NE2 2.91Å; Q585-Q589 WeakPolarHBondContact O-CG 3.31Å; Q585-Q589 PolarHBondContact O-N 3.26Å; Q589-L593 WeakPolarHBondContact O-CB 3.46Å; Q589-L593 WeakPolarHBondContact O-CG 3.29Å; Q589-L593 PolarHBondContact O-N 2.88Å; Q589-L593 VanDerWaalsContact O-N 3.16Å; Q589-N621 PolarHBondContact OE1-ND2 2.84Å
590	K	88.3	Confident	87.3	Confident	58 Å²	58	63.9 Å²	63.9	25%	0.252	34%	0.335	S	S	.	.	H	α-helix	trans	-68.8	-37	175.3	-68.3	-59.2	-173	-176.4	0	112.1	P586 Q587 E588 L593 G594 L617 M619 N621	P586-K590 WeakPolarHBondContact O-CG 3.43Å; P586-K590 PolarHBondContact O-N 3.36Å; Q587-K590 WeakPolarHBondContact O-CB 3.09Å; Q587-K590 PolarHBondContact O-N 3.11Å; E588-K590 VanDerWaalsContact C-N 3.32Å; E588-K590 PolarHBondContact O-N 3.27Å; K590-L593 PolarHBondContact O-N 2.88Å; K590-G594 PolarHBondContact O-N 2.88Å; K590-L617 HydrophobicContact CD-CD2 4.17Å; K590-L617 WeakPolarHBondContact CD-O 3.48Å; K590-L617 WeakPolarHBondContact CE-O 3.35Å; K590-L617 PolarHBondContact NZ-O 2.69Å; K590-L617 WeakPolarHBondContact O-CD2 3.49Å; K590-M619 PolarHBondContact NZ-O 2.61Å; K590-N621 WeakPolarHBondContact CE-OD1 3.22Å; K590-N621 PolarHBondContact NZ-OD1 2.93Å
591	Q	89.5	Confident	87.9	Confident	120 Å²	120	60.7 Å²	60.7	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-62.4	-52.4	174.1	-178.8	171.9	-13.2	0	0	111.8	Q587 E588 L593 G594 E595	Q587-Q591 PolarHBondContact O-N 2.77Å; E588-Q591 PolarHBondContact O-N 3.39Å; Q591-L593 VanDerWaalsContact C-N 3.27Å; Q591-L593 PolarHBondContact O-N 3.28Å; Q591-G594 WeakPolarHBondContact O-CA 3.49Å; Q591-G594 PolarHBondContact O-N 3.29Å; Q591-E595 HydrophobicContact CG-CG 4.43Å; Q591-E595 WeakPolarHBondContact CG-OE1 3.28Å; Q591-E595 PolarHBondContact NE2-OE1 3.22Å; Q591-E595 WeakPolarHBondContact O-CG 3.3Å; Q591-E595 PolarHBondContact O-N 2.85Å
592	M	88.4	Confident	88.5	Confident	36 Å²	36	64.3 Å²	64.3	18%	0.177	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-35.7	178.6	-72.9	-172.7	-77.2	0	0	113.3	L576 L581 A584 E588 R596	L576-M592 HydrophobicContact CD1-CB 4.2Å; L576-M592 HydrophobicContact CD1-SD 4.12Å; L581-M592 HydrophobicContact CD2-CB 4.38Å; L581-M592 HydrophobicContact CD2-CE 4.1Å; A584-M592 HydrophobicContact CB-CE 3.31Å; E588-M592 HydrophobicContact CG-CE 4.42Å; E588-M592 PolarHBondContact O-N 3.06Å; M592-R596 PolarHBondContact O-N 3.16Å
593	L	90.9	Very high	89	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-72.4	-35.5	173.7	-71.8	168.3	0	0	0	112.1	L576 L581 Q589 K590 Q591 R596 L597 L617 N621 L624 L625 L628	L576-L593 HydrophobicContact CD2-CD2 3.93Å; L581-L593 HydrophobicContact CD1-CD2 4.23Å; L581-L593 HydrophobicContact CD2-CD1 4.3Å; L581-L593 HydrophobicContact CD2-CD2 4.39Å; L581-L593 HydrophobicContact CD2-CG 3.99Å; Q589-L593 WeakPolarHBondContact O-CB 3.46Å; Q589-L593 WeakPolarHBondContact O-CG 3.29Å; Q589-L593 PolarHBondContact O-N 2.88Å; Q589-L593 VanDerWaalsContact O-N 3.16Å; K590-L593 PolarHBondContact O-N 2.88Å; Q591-L593 VanDerWaalsContact C-N 3.27Å; Q591-L593 PolarHBondContact O-N 3.28Å; L593-R596 WeakPolarHBondContact O-CB 3.08Å; L593-R596 PolarHBondContact O-N 2.9Å; L593-L597 WeakPolarHBondContact O-CB 3.12Å; L593-L597 WeakPolarHBondContact O-CD1 3.5Å; L593-L597 VanDerWaalsContact O-CG 3.24Å; L593-L597 WeakPolarHBondContact O-CG 3.48Å; L593-L597 PolarHBondContact O-N 3.14Å; L593-L617 HydrophobicContact CB-CD2 3.86Å; L593-N621 HydrophobicContact CD1-CB 3.83Å; L593-L624 HydrophobicContact CD1-CB 4.3Å; L593-L624 HydrophobicContact CD1-CD1 3.97Å; L593-L624 HydrophobicContact CD2-CB 4.45Å; L593-L625 HydrophobicContact CD2-CD2 4.46Å; L593-L628 HydrophobicContact CD2-CD1 3.84Å
594	G	91.3	Very high	89.4	Confident	11 Å²	11	66.4 Å²	66.4	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-65.8	-43.1	176.5	0	0	0	0	0	112.4	K590 Q591 R596 L597 Y598	K590-G594 PolarHBondContact O-N 2.88Å; Q591-G594 WeakPolarHBondContact O-CA 3.49Å; Q591-G594 PolarHBondContact O-N 3.29Å; G594-R596 VanDerWaalsContact C-N 3.27Å; G594-R596 PolarHBondContact O-N 2.83Å; G594-L597 PolarHBondContact O-N 3.19Å; G594-Y598 WeakPolarHBondContact O-CB 3.3Å; G594-Y598 PolarHBondContact O-N 3.22Å
595	E	92.2	Very high	89.8	Confident	90 Å²	90	68.6 Å²	68.6	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-29.4	176.1	-70.5	169.7	-172.2	0	0	112.4	Q573 Q591 P599	Q573-E595 PolarHBondContact NE2-O 2.91Å; Q573-E595 PolarHBondContact OE1-O 3.31Å; Q591-E595 HydrophobicContact CG-CG 4.43Å; Q591-E595 WeakPolarHBondContact CG-OE1 3.28Å; Q591-E595 PolarHBondContact NE2-OE1 3.22Å; Q591-E595 WeakPolarHBondContact O-CG 3.3Å; Q591-E595 PolarHBondContact O-N 2.85Å; E595-P599 WeakPolarHBondContact O-CD 3.35Å
596	R	89.8	Confident	90	Very high	16 Å²	16	65.7 Å²	65.7	6%	0.06	33%	0.327	C	S	.	.	H	α-helix	trans	-72.4	-45	168.7	-80.3	-61.4	116	97.5	30.7	113.6	I568 Q573 E574 L576 M592 L593 G594 L628	I568-R596 PolarHBondContact O-NH1 3.42Å; Q573-R596 VanDerWaalsContact OE1-CZ 3.23Å; E574-R596 PolarHBondContact O-NH1 2.92Å; E574-R596 PolarHBondContact O-NH2 3.03Å; L576-R596 HydrophobicContact CB-CG 4.34Å; L576-R596 HydrophobicContact CD2-CG 3.74Å; M592-R596 PolarHBondContact O-N 3.16Å; L593-R596 WeakPolarHBondContact O-CB 3.08Å; L593-R596 PolarHBondContact O-N 2.9Å; G594-R596 VanDerWaalsContact C-N 3.27Å; G594-R596 PolarHBondContact O-N 2.83Å; R596-L628 HydrophobicContact CB-CD1 3.67Å; R596-L628 HydrophobicContact CB-CD2 3.87Å; R596-L628 HydrophobicContact CB-CG 4.45Å; R596-L628 HydrophobicContact CG-CD1 4.09Å
597	L	92.2	Very high	90.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-76.4	-42.9	-171.1	-77.3	165	0	0	0	112.2	L593 G594 L600 I601 T613 L617 L624 I627 L628 L634	L593-L597 WeakPolarHBondContact O-CB 3.12Å; L593-L597 WeakPolarHBondContact O-CD1 3.5Å; L593-L597 VanDerWaalsContact O-CG 3.24Å; L593-L597 WeakPolarHBondContact O-CG 3.48Å; L593-L597 PolarHBondContact O-N 3.14Å; G594-L597 PolarHBondContact O-N 3.19Å; L597-L600 PolarHBondContact O-N 3.38Å; L597-I601 HydrophobicContact CB-CD1 3.83Å; L597-I601 HydrophobicContact CD2-CD1 4.4Å; L597-I601 WeakPolarHBondContact O-CD1 3.3Å; L597-I601 VanDerWaalsContact O-CG1 3.24Å; L597-I601 WeakPolarHBondContact O-CG1 3.46Å; L597-I601 PolarHBondContact O-N 2.9Å; L597-T613 HydrophobicContact CB-CG2 4.09Å; L597-L617 HydrophobicContact CD1-CD2 4.19Å; L597-L624 HydrophobicContact CD1-CD2 3.8Å; L597-I627 HydrophobicContact CD2-CG2 4.28Å; L597-L628 HydrophobicContact CD2-CD2 3.62Å; L597-L628 HydrophobicContact CD2-CG 3.95Å; L597-L628 HydrophobicContact CG-CD1 4.46Å; L597-L628 HydrophobicContact CG-CD2 3.96Å; L597-L628 HydrophobicContact CG-CG 4.29Å; L597-L634 HydrophobicContact CD2-CD1 4.02Å
598	Y	93.9	Very high	90.6	Very high	99 Å²	99	59.8 Å²	59.8	39%	0.388	30%	0.297	S	S	.	.	H	α-helix	trans	-56.4	-46.3	-171.6	-176.1	-85.2	0	0	0	114	G594 L600 I601 H602 A609	G594-Y598 WeakPolarHBondContact O-CB 3.3Å; G594-Y598 PolarHBondContact O-N 3.22Å; Y598-L600 PolarHBondContact O-N 2.92Å; Y598-I601 PolarHBondContact O-N 3.4Å; Y598-H602 HydrophobicContact CD1-CB 4.46Å; Y598-H602 HydrophobicContact CE1-CB 4.17Å; Y598-H602 VanDerWaalsContact O-CB 3.24Å; Y598-H602 WeakPolarHBondContact O-CB 3.48Å; Y598-H602 PolarHBondContact O-N 2.83Å; Y598-A609 HydrophobicContact CD2-CB 4.38Å; Y598-A609 HydrophobicContact CE2-CB 3.86Å
599	P	92.1	Very high	90.9	Very high	53 Å²	53	55.1 Å²	55.1	34%	0.344	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-45.3	179.9	-22.8	34.6	0	0	0	112.7	E595 I601 H602 E603	E595-P599 WeakPolarHBondContact O-CD 3.35Å; P599-I601 VanDerWaalsContact C-N 3.33Å; P599-I601 PolarHBondContact O-N 3.4Å; P599-H602 PolarHBondContact O-N 2.69Å; P599-E603 PolarHBondContact O-N 3.46Å
600	L	92.1	Very high	91.1	Very high	46 Å²	46	55.4 Å²	55.4	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-37.5	179.8	-58.5	174.2	0	0	0	111.7	V570 L597 Y598 M604 L628 L634	V570-L600 HydrophobicContact CG1-CD2 4.19Å; V570-L600 HydrophobicContact CG1-CG 4.31Å; V570-L600 HydrophobicContact CG2-CD1 3.97Å; V570-L600 HydrophobicContact CG2-CG 4.46Å; L597-L600 PolarHBondContact O-N 3.38Å; Y598-L600 PolarHBondContact O-N 2.92Å; L600-M604 WeakPolarHBondContact O-CG 3.36Å; L600-L628 HydrophobicContact CD1-CD2 3.87Å; L600-L634 HydrophobicContact CB-CD2 3.64Å; L600-L634 HydrophobicContact CD1-CD2 3.92Å; L600-L634 HydrophobicContact CG-CD2 4.41Å
601	I	92.8	Very high	91.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74	-34.5	176.7	-62.1	163.5	0	0	0	110.7	L597 Y598 P599 E603 M604 H605 A609 I612 T613 L616 L634 V638	L597-I601 HydrophobicContact CB-CD1 3.83Å; L597-I601 HydrophobicContact CD2-CD1 4.4Å; L597-I601 WeakPolarHBondContact O-CD1 3.3Å; L597-I601 VanDerWaalsContact O-CG1 3.24Å; L597-I601 WeakPolarHBondContact O-CG1 3.46Å; L597-I601 PolarHBondContact O-N 2.9Å; Y598-I601 PolarHBondContact O-N 3.4Å; P599-I601 VanDerWaalsContact C-N 3.33Å; P599-I601 PolarHBondContact O-N 3.4Å; I601-E603 VanDerWaalsContact C-N 3.35Å; I601-M604 PolarHBondContact O-N 3.07Å; I601-M604 VanDerWaalsContact O-N 3.13Å; I601-H605 PolarHBondContact O-N 3.21Å; I601-A609 HydrophobicContact CG2-CB 4.37Å; I601-I612 HydrophobicContact CD1-CG2 4.31Å; I601-I612 HydrophobicContact CG2-CB 3.8Å; I601-I612 HydrophobicContact CG2-CD1 4.33Å; I601-I612 HydrophobicContact CG2-CG2 3.6Å; I601-T613 HydrophobicContact CD1-CG2 4.49Å; I601-T613 WeakPolarHBondContact CD1-OG1 3.48Å; I601-L616 HydrophobicContact CD1-CD1 3.74Å; I601-L634 HydrophobicContact CG1-CD1 4.14Å; I601-V638 HydrophobicContact CG1-CG2 3.96Å; I601-V638 HydrophobicContact CG2-CG2 4.36Å
602	H	92.8	Very high	91.5	Very high	85 Å²	85	53.1 Å²	53.1	39%	0.394	28%	0.276	S	S	.	.	H	α-helix	trans	-68.3	-32.8	177.9	-170.1	86.9	0	0	0	112.6	Y598 P599 M604 S606 A609	Y598-H602 HydrophobicContact CD1-CB 4.46Å; Y598-H602 HydrophobicContact CE1-CB 4.17Å; Y598-H602 VanDerWaalsContact O-CB 3.24Å; Y598-H602 WeakPolarHBondContact O-CB 3.48Å; Y598-H602 PolarHBondContact O-N 2.83Å; P599-H602 PolarHBondContact O-N 2.69Å; H602-M604 PolarHBondContact O-N 2.89Å; H602-S606 PolarHBondContact ND1-O 2.72Å; H602-S606 WeakPolarHBondContact O-CA 3.13Å; H602-S606 WeakPolarHBondContact O-CB 3.26Å; H602-S606 PolarHBondContact O-N 2.94Å; H602-A609 HydrophobicContact CB-CB 3.89Å
603	E	90.4	Very high	91.7	Very high	169 Å²	169	51.8 Å²	51.8	79%	0.79	27%	0.27	S	S	*	.	H	α-helix	trans	-63.4	-28.8	170.1	-169	176.1	179.1	0	0	112.4	P599 I601	P599-E603 PolarHBondContact O-N 3.46Å; I601-E603 VanDerWaalsContact C-N 3.35Å
604	M	91.5	Very high	91.8	Very high	67 Å²	67	53.6 Å²	53.6	33%	0.33	29%	0.289	S	S	.	.	H	α-helix	trans	-90.2	-44.2	179.3	-65.3	-172.9	73.4	0	0	114.4	L600 I601 H602 K635 V638	L600-M604 WeakPolarHBondContact O-CG 3.36Å; I601-M604 PolarHBondContact O-N 3.07Å; I601-M604 VanDerWaalsContact O-N 3.13Å; H602-M604 PolarHBondContact O-N 2.89Å; M604-K635 HydrophobicContact CE-CB 3.63Å; M604-K635 HydrophobicContact CE-CD 4.07Å; M604-K635 HydrophobicContact CE-CG 3.56Å; M604-K635 HydrophobicContact SD-CB 4.46Å; M604-V638 HydrophobicContact CB-CG1 4.4Å; M604-V638 HydrophobicContact CE-CB 4.29Å; M604-V638 HydrophobicContact CE-CG1 4.12Å; M604-V638 HydrophobicContact SD-CB 4.26Å; M604-V638 HydrophobicContact SD-CG1 4.2Å; M604-V638 HydrophobicContact SD-CG2 4.14Å
605	H	90	Very high	91.8	Very high	59 Å²	59	55.9 Å²	55.9	27%	0.273	30%	0.297	S	S	.	.			trans	-147.7	74	-172.3	-80.3	-80	0	0	0	109.8	I601 D607 L608 A609 I612	I601-H605 PolarHBondContact O-N 3.21Å; H605-D607 VanDerWaalsContact C-N 3.25Å; H605-D607 PolarHBondContact O-N 3.46Å; H605-L608 PolarHBondContact O-N 3.45Å; H605-A609 WeakPolarHBondContact O-CA 3.17Å; H605-A609 WeakPolarHBondContact O-CB 3.29Å; H605-A609 PolarHBondContact O-N 3.35Å; H605-I612 HydrophobicContact CB-CD1 3.82Å
606	S	90.7	Very high	91.8	Very high	75 Å²	75	52 Å²	52	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.7	-175	55.3	0	0	0	0	114.2	H602	H602-S606 PolarHBondContact ND1-O 2.72Å; H602-S606 WeakPolarHBondContact O-CA 3.13Å; H602-S606 WeakPolarHBondContact O-CB 3.26Å; H602-S606 PolarHBondContact O-N 2.94Å
607	D	89.6	Confident	91.9	Very high	117 Å²	117	52.9 Å²	52.9	63%	0.626	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-34.1	-178.6	75	-46	0	0	0	113.8	H605	H605-D607 VanDerWaalsContact C-N 3.25Å; H605-D607 PolarHBondContact O-N 3.46Å
608	L	90.9	Very high	91.9	Very high	18 Å²	18	61.1 Å²	61.1	9%	0.094	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-1.2	-179.4	-67.5	178.9	0	0	0	113.5	H605 G610 K611 I612 V642 L645	H605-L608 PolarHBondContact O-N 3.45Å; L608-G610 VanDerWaalsContact C-N 3.3Å; L608-G610 PolarHBondContact O-N 3.01Å; L608-G610 VanDerWaalsContact O-N 3.09Å; L608-K611 PolarHBondContact O-N 2.7Å; L608-I612 HydrophobicContact CB-CD1 3.52Å; L608-I612 HydrophobicContact CB-CG1 3.98Å; L608-I612 PolarHBondContact O-N 3.17Å; L608-V642 HydrophobicContact CD1-CG2 4.48Å; L608-L645 HydrophobicContact CB-CD1 4.37Å; L608-L645 HydrophobicContact CD1-CB 4.44Å; L608-L645 HydrophobicContact CD1-CD1 4.13Å; L608-L645 HydrophobicContact CD2-CD1 4.43Å
609	A	92.6	Very high	91.5	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-46.9	-46.7	-170.2	0	0	0	0	0	114.3	Y598 I601 H602 H605 T613	Y598-A609 HydrophobicContact CD2-CB 4.38Å; Y598-A609 HydrophobicContact CE2-CB 3.86Å; I601-A609 HydrophobicContact CG2-CB 4.37Å; H602-A609 HydrophobicContact CB-CB 3.89Å; H605-A609 WeakPolarHBondContact O-CA 3.17Å; H605-A609 WeakPolarHBondContact O-CB 3.29Å; H605-A609 PolarHBondContact O-N 3.35Å; A609-T613 VanDerWaalsContact O-CB 3.29Å; A609-T613 WeakPolarHBondContact O-CB 3.43Å; A609-T613 PolarHBondContact O-N 2.82Å; A609-T613 PolarHBondContact O-OG1 2.85Å
610	G	91.4	Very high	91.2	Very high	44 Å²	44	59.5 Å²	59.5	45%	0.454	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-40.6	178.8	0	0	0	0	0	113.6	L608 G614	L608-G610 VanDerWaalsContact C-N 3.3Å; L608-G610 PolarHBondContact O-N 3.01Å; L608-G610 VanDerWaalsContact O-N 3.09Å; G610-G614 PolarHBondContact O-N 3.49Å
611	K	91.7	Very high	90.8	Very high	131 Å²	131	59 Å²	59	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-68.9	-45.1	177.1	-69.2	-166.8	174.9	-166.7	0	111.2	L608 G614 M615 L645	L608-K611 PolarHBondContact O-N 2.7Å; K611-G614 PolarHBondContact O-N 3.38Å; K611-M615 WeakPolarHBondContact O-CG 3.37Å; K611-M615 PolarHBondContact O-N 2.67Å; K611-L645 HydrophobicContact CB-CD1 3.97Å; K611-L645 HydrophobicContact CB-CD2 4.17Å; K611-L645 HydrophobicContact CD-CD2 4.06Å
612	I	93.4	Very high	90.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-43.4	178.4	-63.9	164.7	0	0	0	110.7	I601 H605 L608 G614 M615 L616 V638 A641 V642 L645	I601-I612 HydrophobicContact CD1-CG2 4.31Å; I601-I612 HydrophobicContact CG2-CB 3.8Å; I601-I612 HydrophobicContact CG2-CD1 4.33Å; I601-I612 HydrophobicContact CG2-CG2 3.6Å; H605-I612 HydrophobicContact CB-CD1 3.82Å; L608-I612 HydrophobicContact CB-CD1 3.52Å; L608-I612 HydrophobicContact CB-CG1 3.98Å; L608-I612 PolarHBondContact O-N 3.17Å; I612-G614 PolarHBondContact O-N 2.94Å; I612-M615 PolarHBondContact O-N 3.02Å; I612-L616 HydrophobicContact CG2-CD1 3.94Å; I612-L616 HydrophobicContact CG2-CG 4.44Å; I612-L616 WeakPolarHBondContact O-CG 3.39Å; I612-L616 PolarHBondContact O-N 3.38Å; I612-V638 HydrophobicContact CD1-CG1 4.4Å; I612-V638 HydrophobicContact CG2-CB 4.49Å; I612-V638 HydrophobicContact CG2-CG1 4.41Å; I612-V638 HydrophobicContact CG2-CG2 4.07Å; I612-A641 HydrophobicContact CG1-CB 4.28Å; I612-A641 HydrophobicContact CG2-CB 3.95Å; I612-V642 HydrophobicContact CD1-CG2 3.62Å; I612-V642 HydrophobicContact CG1-CG2 4.45Å; I612-L645 HydrophobicContact CG1-CD1 3.66Å
613	T	93.7	Very high	90	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-45.4	174.7	-53.9	0	0	0	0	111	L597 I601 A609 M615 L616 L617	L597-T613 HydrophobicContact CB-CG2 4.09Å; I601-T613 HydrophobicContact CD1-CG2 4.49Å; I601-T613 WeakPolarHBondContact CD1-OG1 3.48Å; A609-T613 VanDerWaalsContact O-CB 3.29Å; A609-T613 WeakPolarHBondContact O-CB 3.43Å; A609-T613 PolarHBondContact O-N 2.82Å; A609-T613 PolarHBondContact O-OG1 2.85Å; T613-M615 PolarHBondContact O-N 3.36Å; T613-L616 PolarHBondContact O-N 2.61Å; T613-L617 HydrophobicContact CG2-CD1 4.1Å; T613-L617 HydrophobicContact CG2-CG 4.4Å; T613-L617 WeakPolarHBondContact O-CB 3.26Å; T613-L617 VanDerWaalsContact O-CG 3.28Å; T613-L617 WeakPolarHBondContact O-CG 3.33Å; T613-L617 PolarHBondContact O-N 2.77Å
614	G	92.3	Very high	89.9	Confident	38 Å²	38	50.1 Å²	50.1	39%	0.392	28%	0.283	S	S	.	.	H	α-helix	trans	-57.4	-46.9	176.1	0	0	0	0	0	113	G610 K611 I612 L617	G610-G614 PolarHBondContact O-N 3.49Å; K611-G614 PolarHBondContact O-N 3.38Å; I612-G614 PolarHBondContact O-N 2.94Å; G614-L617 PolarHBondContact O-N 3.04Å
615	M	91.9	Very high	89.7	Confident	59 Å²	59	48 Å²	48	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.4	-68.9	171.4	69.4	0	0	112.6	K611 I612 T613 L617 E618 A641 V644 L645	K611-M615 WeakPolarHBondContact O-CG 3.37Å; K611-M615 PolarHBondContact O-N 2.67Å; I612-M615 PolarHBondContact O-N 3.02Å; T613-M615 PolarHBondContact O-N 3.36Å; M615-L617 VanDerWaalsContact C-N 3.29Å; M615-L617 PolarHBondContact O-N 3.34Å; M615-E618 WeakPolarHBondContact O-CB 3.42Å; M615-E618 PolarHBondContact O-N 3.31Å; M615-A641 HydrophobicContact CE-CB 4.27Å; M615-A641 HydrophobicContact SD-CB 4.46Å; M615-V644 HydrophobicContact CE-CB 3.95Å; M615-V644 HydrophobicContact CE-CG1 3.71Å; M615-L645 HydrophobicContact CE-CG 4.5Å; M615-L645 HydrophobicContact SD-CD1 3.92Å; M615-L645 HydrophobicContact SD-CD2 3.72Å; M615-L645 HydrophobicContact SD-CG 3.65Å
616	L	92	Very high	89.4	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-33.1	177.6	-68.2	173.6	0	0	0	111.5	I601 I612 T613 E618 M619 L624 L634 K637 V638	I601-L616 HydrophobicContact CD1-CD1 3.74Å; I612-L616 HydrophobicContact CG2-CD1 3.94Å; I612-L616 HydrophobicContact CG2-CG 4.44Å; I612-L616 WeakPolarHBondContact O-CG 3.39Å; I612-L616 PolarHBondContact O-N 3.38Å; T613-L616 PolarHBondContact O-N 2.61Å; L616-E618 PolarHBondContact O-N 2.7Å; L616-E618 VanDerWaalsContact O-N 3.14Å; L616-M619 HydrophobicContact CD2-SD 3.93Å; L616-M619 VanDerWaalsContact O-CB 3.26Å; L616-M619 WeakPolarHBondContact O-CB 3.08Å; L616-M619 WeakPolarHBondContact O-CG 3.39Å; L616-M619 PolarHBondContact O-N 2.76Å; L616-L624 HydrophobicContact CB-CD2 4.32Å; L616-L624 VanDerWaalsContact O-CD2 3.24Å; L616-L624 WeakPolarHBondContact O-CD2 3.38Å; L616-L634 HydrophobicContact CD1-CD1 4.38Å; L616-K637 HydrophobicContact CD2-CB 3.9Å; L616-V638 HydrophobicContact CD1-CG2 4.26Å
617	L	92.7	Very high	89.3	Confident	36 Å²	36	44.3 Å²	44.3	19%	0.188	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.3	174.5	-75.8	174.2	0	0	0	114.3	K590 L593 L597 T613 G614 M615 M619 L624	K590-L617 HydrophobicContact CD-CD2 4.17Å; K590-L617 WeakPolarHBondContact CD-O 3.48Å; K590-L617 WeakPolarHBondContact CE-O 3.35Å; K590-L617 PolarHBondContact NZ-O 2.69Å; K590-L617 WeakPolarHBondContact O-CD2 3.49Å; L593-L617 HydrophobicContact CB-CD2 3.86Å; L597-L617 HydrophobicContact CD1-CD2 4.19Å; T613-L617 HydrophobicContact CG2-CD1 4.1Å; T613-L617 HydrophobicContact CG2-CG 4.4Å; T613-L617 WeakPolarHBondContact O-CB 3.26Å; T613-L617 VanDerWaalsContact O-CG 3.28Å; T613-L617 WeakPolarHBondContact O-CG 3.33Å; T613-L617 PolarHBondContact O-N 2.77Å; G614-L617 PolarHBondContact O-N 3.04Å; M615-L617 VanDerWaalsContact C-N 3.29Å; M615-L617 PolarHBondContact O-N 3.34Å; L617-M619 VanDerWaalsContact C-N 3.31Å; L617-L624 HydrophobicContact CD2-CD1 4.29Å
618	E	90.2	Very high	89.2	Confident	172 Å²	172	39.7 Å²	39.7	80%	0.804	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.4	169.7	-59.2	-168.1	173	0	0	113.1	M615 L616	M615-E618 WeakPolarHBondContact O-CB 3.42Å; M615-E618 PolarHBondContact O-N 3.31Å; L616-E618 PolarHBondContact O-N 2.7Å; L616-E618 VanDerWaalsContact O-N 3.14Å
619	M	86.9	Confident	88.9	Confident	54 Å²	54	45.8 Å²	45.8	27%	0.266	26%	0.255	S	S	.	.	S	Bend	trans	-66.6	159.1	176.3	-60.2	-176	63.4	0	0	112	K590 L616 L617 D623 L624 I627 K637	K590-M619 PolarHBondContact NZ-O 2.61Å; L616-M619 HydrophobicContact CD2-SD 3.93Å; L616-M619 VanDerWaalsContact O-CB 3.26Å; L616-M619 WeakPolarHBondContact O-CB 3.08Å; L616-M619 WeakPolarHBondContact O-CG 3.39Å; L616-M619 PolarHBondContact O-N 2.76Å; L617-M619 VanDerWaalsContact C-N 3.31Å; M619-D623 HydrophobicContact CE-CB 4.16Å; M619-L624 HydrophobicContact CB-CD1 4.45Å; M619-L624 HydrophobicContact CB-CD2 4.14Å; M619-L624 HydrophobicContact CB-CG 3.97Å; M619-I627 HydrophobicContact CE-CD1 3.69Å; M619-I627 HydrophobicContact SD-CD1 3.77Å; M619-K637 HydrophobicContact CE-CD 4.43Å; M619-K637 HydrophobicContact SD-CD 4.35Å
620	D	84.7	Confident	88.6	Confident	65 Å²	65	47.5 Å²	47.5	35%	0.348	27%	0.267	S	S	.	.			trans	-76.2	148	177.8	84.8	76.8	0	0	0	112.8	K544 G622 D623 L624	K544-D620 IonicContact NZ-OD1 2.87Å; K544-D620 PolarHBondContact NZ-OD1 2.92Å; K544-D620 IonicContact NZ-OD2 2.81Å; K544-D620 PolarHBondContact NZ-OD2 3.18Å; D620-G622 PolarHBondContact O-N 3.01Å; D620-G622 VanDerWaalsContact O-N 3.07Å; D620-G622 PolarHBondContact OD1-N 3.34Å; D620-D623 PolarHBondContact O-N 3.1Å; D620-L624 PolarHBondContact O-N 2.99Å
621	N	85.4	Confident	88.4	Confident	35 Å²	35	48.2 Å²	48.2	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-22.2	-164.4	-63.9	-3.1	0	0	0	113.8	Q589 K590 L593 L625	Q589-N621 PolarHBondContact OE1-ND2 2.84Å; K590-N621 WeakPolarHBondContact CE-OD1 3.22Å; K590-N621 PolarHBondContact NZ-OD1 2.93Å; L593-N621 HydrophobicContact CD1-CB 3.83Å; N621-L625 WeakPolarHBondContact O-CG 3.4Å; N621-L625 PolarHBondContact O-N 2.88Å
622	G	82.8	Confident	88.3	Confident	32 Å²	32	49.6 Å²	49.6	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-76.2	-37.1	173.9	0	0	0	0	0	112.8	D620 T626	D620-G622 PolarHBondContact O-N 3.01Å; D620-G622 VanDerWaalsContact O-N 3.07Å; D620-G622 PolarHBondContact OD1-N 3.34Å; G622-T626 PolarHBondContact O-N 3.04Å; G622-T626 VanDerWaalsContact O-N 3.12Å; G622-T626 PolarHBondContact O-OG1 3.43Å
623	D	85.6	Confident	88	Confident	35 Å²	35	52.5 Å²	52.5	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-73.6	-32.7	176.4	-67.2	14.5	0	0	0	109.6	K544 M619 D620 T626 I627	K544-D623 IonicContact NZ-OD1 2.83Å; K544-D623 PolarHBondContact NZ-OD1 2.72Å; K544-D623 IonicContact NZ-OD2 2.68Å; M619-D623 HydrophobicContact CE-CB 4.16Å; D620-D623 PolarHBondContact O-N 3.1Å; D623-T626 WeakPolarHBondContact O-CB 3.44Å; D623-T626 PolarHBondContact O-N 2.86Å; D623-I627 WeakPolarHBondContact O-CG1 3.1Å; D623-I627 PolarHBondContact O-N 3.1Å
624	L	88.3	Confident	87.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-41.4	170.2	-76.5	173.8	0	0	0	114.3	L593 L597 L616 L617 M619 D620 T626 I627 L628	L593-L624 HydrophobicContact CD1-CB 4.3Å; L593-L624 HydrophobicContact CD1-CD1 3.97Å; L593-L624 HydrophobicContact CD2-CB 4.45Å; L597-L624 HydrophobicContact CD1-CD2 3.8Å; L616-L624 HydrophobicContact CB-CD2 4.32Å; L616-L624 VanDerWaalsContact O-CD2 3.24Å; L616-L624 WeakPolarHBondContact O-CD2 3.38Å; L617-L624 HydrophobicContact CD2-CD1 4.29Å; M619-L624 HydrophobicContact CB-CD1 4.45Å; M619-L624 HydrophobicContact CB-CD2 4.14Å; M619-L624 HydrophobicContact CB-CG 3.97Å; D620-L624 PolarHBondContact O-N 2.99Å; L624-T626 VanDerWaalsContact C-N 3.32Å; L624-I627 HydrophobicContact CD2-CD1 4.46Å; L624-I627 WeakPolarHBondContact O-CB 3.37Å; L624-I627 PolarHBondContact O-N 2.86Å; L624-L628 PolarHBondContact O-N 2.98Å
625	L	86.3	Confident	87.9	Confident	23 Å²	23	56 Å²	56	12%	0.12	30%	0.302	C	S	.	.	H	α-helix	trans	-60.2	-43.3	171.4	-80	169.9	0	0	0	111.3	I568 L581 L593 N621 I627 L628 E629	I568-L625 HydrophobicContact CD1-CD2 3.56Å; L581-L625 HydrophobicContact CD1-CD1 3.82Å; L581-L625 HydrophobicContact CD1-CD2 3.69Å; L581-L625 HydrophobicContact CD1-CG 3.96Å; L593-L625 HydrophobicContact CD2-CD2 4.46Å; N621-L625 WeakPolarHBondContact O-CG 3.4Å; N621-L625 PolarHBondContact O-N 2.88Å; L625-I627 PolarHBondContact O-N 3.44Å; L625-L628 PolarHBondContact O-N 3.05Å; L625-L628 VanDerWaalsContact O-N 3.13Å; L625-E629 WeakPolarHBondContact O-CG 3.35Å; L625-E629 PolarHBondContact O-N 3.17Å
626	T	84	Confident	87.9	Confident	51 Å²	51	56.5 Å²	56.5	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-61.4	-34.4	177.2	-48.2	0	0	0	0	112.1	G622 D623 L624 L633	G622-T626 PolarHBondContact O-N 3.04Å; G622-T626 VanDerWaalsContact O-N 3.12Å; G622-T626 PolarHBondContact O-OG1 3.43Å; D623-T626 WeakPolarHBondContact O-CB 3.44Å; D623-T626 PolarHBondContact O-N 2.86Å; L624-T626 VanDerWaalsContact C-N 3.32Å; T626-L633 HydrophobicContact CG2-CD1 4.19Å
627	I	87.9	Confident	87.9	Confident	6 Å²	6	58.6 Å²	58.6	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-68.8	-42.8	173.9	-75.9	164	0	0	0	111.5	L597 M619 D623 L624 L625 E629 S630 L634 K637	L597-I627 HydrophobicContact CD2-CG2 4.28Å; M619-I627 HydrophobicContact CE-CD1 3.69Å; M619-I627 HydrophobicContact SD-CD1 3.77Å; D623-I627 WeakPolarHBondContact O-CG1 3.1Å; D623-I627 PolarHBondContact O-N 3.1Å; L624-I627 HydrophobicContact CD2-CD1 4.46Å; L624-I627 WeakPolarHBondContact O-CB 3.37Å; L624-I627 PolarHBondContact O-N 2.86Å; L625-I627 PolarHBondContact O-N 3.44Å; I627-E629 VanDerWaalsContact C-N 3.28Å; I627-E629 PolarHBondContact O-N 3.13Å; I627-S630 CarbonylContact O-C 3.44Å; I627-S630 PolarHBondContact O-N 3.46Å; I627-L634 HydrophobicContact CG2-CB 3.9Å; I627-L634 HydrophobicContact CG2-CD1 3.61Å; I627-L634 HydrophobicContact CG2-CG 4.34Å; I627-K637 HydrophobicContact CD1-CB 4.41Å; I627-K637 HydrophobicContact CD1-CD 4.42Å; I627-K637 HydrophobicContact CD1-CG 3.93Å; I627-K637 HydrophobicContact CG1-CG 4.33Å
628	L	87.8	Confident	87.9	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-69	-23.7	177.5	-75.3	171	0	0	0	113.6	I568 L593 R596 L597 L600 L624 L625 S630	I568-L628 HydrophobicContact CD1-CB 3.81Å; I568-L628 HydrophobicContact CG2-CB 4.18Å; L593-L628 HydrophobicContact CD2-CD1 3.84Å; R596-L628 HydrophobicContact CB-CD1 3.67Å; R596-L628 HydrophobicContact CB-CD2 3.87Å; R596-L628 HydrophobicContact CB-CG 4.45Å; R596-L628 HydrophobicContact CG-CD1 4.09Å; L597-L628 HydrophobicContact CD2-CD2 3.62Å; L597-L628 HydrophobicContact CD2-CG 3.95Å; L597-L628 HydrophobicContact CG-CD1 4.46Å; L597-L628 HydrophobicContact CG-CD2 3.96Å; L597-L628 HydrophobicContact CG-CG 4.29Å; L600-L628 HydrophobicContact CD1-CD2 3.87Å; L624-L628 PolarHBondContact O-N 2.98Å; L625-L628 PolarHBondContact O-N 3.05Å; L625-L628 VanDerWaalsContact O-N 3.13Å; L628-S630 VanDerWaalsContact C-N 3.33Å
629	E	85.9	Confident	88	Confident	146 Å²	146	52.3 Å²	52.3	68%	0.682	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.6	173	-72.7	176.5	-172.3	0	0	113.6	I568 L625 I627	I568-E629 HydrophobicContact CD1-CG 3.84Å; I568-E629 HydrophobicContact CG1-CG 4.25Å; L625-E629 WeakPolarHBondContact O-CG 3.35Å; L625-E629 PolarHBondContact O-N 3.17Å; I627-E629 VanDerWaalsContact C-N 3.28Å; I627-E629 PolarHBondContact O-N 3.13Å
630	S	86.5	Confident	88.3	Confident	36 Å²	36	53.9 Å²	53.9	25%	0.252	29%	0.294	S	S	.	.			trans	-144.6	107.8	-175.1	176.1	0	0	0	0	113.2	I627 L628 E632 L633 L634	I627-S630 CarbonylContact O-C 3.44Å; I627-S630 PolarHBondContact O-N 3.46Å; L628-S630 VanDerWaalsContact C-N 3.33Å; S630-E632 PolarHBondContact O-N 3.25Å; S630-L633 PolarHBondContact O-N 3.43Å; S630-L633 VanDerWaalsContact O-N 3.09Å; S630-L633 PolarHBondContact OG-N 2.63Å; S630-L634 PolarHBondContact O-N 3.27Å
631	G	86.7	Confident	88.7	Confident	60 Å²	60	51.1 Å²	51.1	62%	0.619	28%	0.28	S	S	*	.	H	α-helix	trans	-59	-29	177.6	0	0	0	0	0	114.6	K635	G631-K635 VanDerWaalsContact O-CB 3.3Å; G631-K635 WeakPolarHBondContact O-CB 3.38Å; G631-K635 PolarHBondContact O-N 2.63Å
632	E	88.2	Confident	89	Confident	160 Å²	160	50 Å²	50	75%	0.748	28%	0.275	S	S	*	.	H	α-helix	trans	-71.3	-40.2	174.3	-64.8	-170.8	145	0	0	112.4	S630 K635 T636	S630-E632 PolarHBondContact O-N 3.25Å; E632-K635 PolarHBondContact O-N 3.26Å; E632-T636 WeakPolarHBondContact O-CB 3.41Å; E632-T636 PolarHBondContact O-N 3.45Å; E632-T636 PolarHBondContact O-OG1 3.2Å
633	L	88.3	Confident	89.4	Confident	61 Å²	61	53.5 Å²	53.5	32%	0.319	28%	0.281	S	S	.	.	H	α-helix	trans	-67.1	-41.6	173.5	-83.7	167.7	0	0	0	111.3	T626 S630 T636 K637	T626-L633 HydrophobicContact CG2-CD1 4.19Å; S630-L633 PolarHBondContact O-N 3.43Å; S630-L633 VanDerWaalsContact O-N 3.09Å; S630-L633 PolarHBondContact OG-N 2.63Å; L633-T636 PolarHBondContact O-N 2.99Å; L633-K637 WeakPolarHBondContact O-CB 3.43Å; L633-K637 VanDerWaalsContact O-CG 3.3Å; L633-K637 WeakPolarHBondContact O-CG 3.25Å; L633-K637 PolarHBondContact O-N 3.08Å
634	L	91.8	Very high	89.6	Confident	10 Å²	10	55 Å²	55	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-51	172.4	-179.9	61.6	0	0	0	111	L597 L600 I601 L616 I627 S630 T636 K637 V638	L597-L634 HydrophobicContact CD2-CD1 4.02Å; L600-L634 HydrophobicContact CB-CD2 3.64Å; L600-L634 HydrophobicContact CD1-CD2 3.92Å; L600-L634 HydrophobicContact CG-CD2 4.41Å; I601-L634 HydrophobicContact CG1-CD1 4.14Å; L616-L634 HydrophobicContact CD1-CD1 4.38Å; I627-L634 HydrophobicContact CG2-CB 3.9Å; I627-L634 HydrophobicContact CG2-CD1 3.61Å; I627-L634 HydrophobicContact CG2-CG 4.34Å; S630-L634 PolarHBondContact O-N 3.27Å; L634-T636 PolarHBondContact O-N 2.94Å; L634-K637 PolarHBondContact O-N 3.5Å; L634-K637 VanDerWaalsContact O-N 3.16Å; L634-V638 HydrophobicContact CD1-CG2 3.92Å; L634-V638 HydrophobicContact CG-CG2 4.24Å; L634-V638 WeakPolarHBondContact O-CB 3.29Å; L634-V638 VanDerWaalsContact O-CG2 3.28Å; L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 3Å
635	K	91.7	Very high	89.6	Confident	108 Å²	108	56.1 Å²	56.1	47%	0.47	30%	0.297	S	S	.	.	H	α-helix	trans	-56.5	-48.1	177.9	173.8	163.1	-179	175.8	0	112.2	M604 G631 E632 K637 V638 E639	M604-K635 HydrophobicContact CE-CB 3.63Å; M604-K635 HydrophobicContact CE-CD 4.07Å; M604-K635 HydrophobicContact CE-CG 3.56Å; M604-K635 HydrophobicContact SD-CB 4.46Å; G631-K635 VanDerWaalsContact O-CB 3.3Å; G631-K635 WeakPolarHBondContact O-CB 3.38Å; G631-K635 PolarHBondContact O-N 2.63Å; E632-K635 PolarHBondContact O-N 3.26Å; K635-K637 VanDerWaalsContact C-N 3.3Å; K635-K637 PolarHBondContact O-N 2.92Å; K635-V638 PolarHBondContact O-N 3.29Å; K635-E639 WeakPolarHBondContact CE-OE1 3.46Å; K635-E639 WeakPolarHBondContact O-CG 3.29Å; K635-E639 PolarHBondContact O-N 2.83Å
636	T	92.9	Very high	89.6	Confident	71 Å²	71	59.8 Å²	59.8	44%	0.436	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-43.5	178.2	-55	0	0	0	0	111.5	E632 L633 L634 E639 E640	E632-T636 WeakPolarHBondContact O-CB 3.41Å; E632-T636 PolarHBondContact O-N 3.45Å; E632-T636 PolarHBondContact O-OG1 3.2Å; L633-T636 PolarHBondContact O-N 2.99Å; L634-T636 PolarHBondContact O-N 2.94Å; T636-E639 PolarHBondContact O-N 3.04Å; T636-E640 WeakPolarHBondContact O-CG 3.32Å; T636-E640 PolarHBondContact O-N 3.04Å
637	K	91.3	Very high	89.6	Confident	51 Å²	51	63.7 Å²	63.7	22%	0.222	33%	0.328	C	S	.	.	H	α-helix	trans	-74.8	-31.9	-179.1	-72.4	-78.1	166.5	-114.3	0	113.4	L616 M619 I627 L633 L634 K635 E640 A641	L616-K637 HydrophobicContact CD2-CB 3.9Å; M619-K637 HydrophobicContact CE-CD 4.43Å; M619-K637 HydrophobicContact SD-CD 4.35Å; I627-K637 HydrophobicContact CD1-CB 4.41Å; I627-K637 HydrophobicContact CD1-CD 4.42Å; I627-K637 HydrophobicContact CD1-CG 3.93Å; I627-K637 HydrophobicContact CG1-CG 4.33Å; L633-K637 WeakPolarHBondContact O-CB 3.43Å; L633-K637 VanDerWaalsContact O-CG 3.3Å; L633-K637 WeakPolarHBondContact O-CG 3.25Å; L633-K637 PolarHBondContact O-N 3.08Å; L634-K637 PolarHBondContact O-N 3.5Å; L634-K637 VanDerWaalsContact O-N 3.16Å; K635-K637 VanDerWaalsContact C-N 3.3Å; K635-K637 PolarHBondContact O-N 2.92Å; K637-E640 IonicContact NZ-OE1 3.44Å; K637-E640 PolarHBondContact NZ-OE1 2.9Å; K637-E640 IonicContact NZ-OE2 3.11Å; K637-E640 PolarHBondContact NZ-OE2 2.91Å; K637-A641 PolarHBondContact O-N 3.26Å
638	V	93	Very high	89.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-45.9	169.9	167.8	0	0	0	0	110.3	I601 M604 I612 L616 L634 K635 E640 A641 V642	I601-V638 HydrophobicContact CG1-CG2 3.96Å; I601-V638 HydrophobicContact CG2-CG2 4.36Å; M604-V638 HydrophobicContact CB-CG1 4.4Å; M604-V638 HydrophobicContact CE-CB 4.29Å; M604-V638 HydrophobicContact CE-CG1 4.12Å; M604-V638 HydrophobicContact SD-CB 4.26Å; M604-V638 HydrophobicContact SD-CG1 4.2Å; M604-V638 HydrophobicContact SD-CG2 4.14Å; I612-V638 HydrophobicContact CD1-CG1 4.4Å; I612-V638 HydrophobicContact CG2-CB 4.49Å; I612-V638 HydrophobicContact CG2-CG1 4.41Å; I612-V638 HydrophobicContact CG2-CG2 4.07Å; L616-V638 HydrophobicContact CD1-CG2 4.26Å; L634-V638 HydrophobicContact CD1-CG2 3.92Å; L634-V638 HydrophobicContact CG-CG2 4.24Å; L634-V638 WeakPolarHBondContact O-CB 3.29Å; L634-V638 VanDerWaalsContact O-CG2 3.28Å; L634-V638 WeakPolarHBondContact O-CG2 3.43Å; L634-V638 PolarHBondContact O-N 3Å; K635-V638 PolarHBondContact O-N 3.29Å; V638-E640 PolarHBondContact O-N 3.2Å; V638-A641 PolarHBondContact O-N 2.82Å; V638-V642 WeakPolarHBondContact O-CG2 3.33Å; V638-V642 PolarHBondContact O-N 3.02Å
639	E	92.8	Very high	88.9	Confident	75 Å²	75	73.4 Å²	73.4	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-35.8	176	-74.2	-177.2	-153.6	0	0	113.3	K635 T636 K643	K635-E639 WeakPolarHBondContact CE-OE1 3.46Å; K635-E639 WeakPolarHBondContact O-CG 3.29Å; K635-E639 PolarHBondContact O-N 2.83Å; T636-E639 PolarHBondContact O-N 3.04Å; E639-K643 VanDerWaalsContact O-CD 3.29Å; E639-K643 WeakPolarHBondContact O-CD 3.33Å; E639-K643 VanDerWaalsContact O-CG 3.27Å; E639-K643 WeakPolarHBondContact O-CG 3.27Å; E639-K643 PolarHBondContact O-N 3.23Å; E639-K643 VanDerWaalsContact O-N 3.16Å; E639-K643 IonicContact OE2-NZ 2.59Å
640	E	92	Very high	88.3	Confident	87 Å²	87	73.3 Å²	73.3	41%	0.407	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-48.2	170.3	-77.8	173.4	-147	0	0	111.6	T636 K637 V638 V642 K643 V644	T636-E640 WeakPolarHBondContact O-CG 3.32Å; T636-E640 PolarHBondContact O-N 3.04Å; K637-E640 IonicContact NZ-OE1 3.44Å; K637-E640 PolarHBondContact NZ-OE1 2.9Å; K637-E640 IonicContact NZ-OE2 3.11Å; K637-E640 PolarHBondContact NZ-OE2 2.91Å; V638-E640 PolarHBondContact O-N 3.2Å; E640-V642 PolarHBondContact O-N 3.06Å; E640-K643 PolarHBondContact O-N 2.91Å; E640-V644 PolarHBondContact O-N 3.31Å; E640-V644 VanDerWaalsContact O-N 3.16Å
641	A	92.6	Very high	87.6	Confident	7 Å²	7	74 Å²	74	6%	0.058	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-39.6	178.9	0	0	0	0	0	112.5	I612 M615 K637 V638 K643 V644 L645	I612-A641 HydrophobicContact CG1-CB 4.28Å; I612-A641 HydrophobicContact CG2-CB 3.95Å; M615-A641 HydrophobicContact CE-CB 4.27Å; M615-A641 HydrophobicContact SD-CB 4.46Å; K637-A641 PolarHBondContact O-N 3.26Å; V638-A641 PolarHBondContact O-N 2.82Å; A641-K643 PolarHBondContact O-N 2.84Å; A641-V644 PolarHBondContact O-N 3.49Å; A641-L645 WeakPolarHBondContact O-CG 3.32Å; A641-L645 PolarHBondContact O-N 3.5Å
642	V	92.5	Very high	86.5	Confident	12 Å²	12	76.4 Å²	76.4	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-60.5	-43.4	174.5	169.1	0	0	0	0	111.4	L608 I612 V638 E640 V644 L645 Q646	L608-V642 HydrophobicContact CD1-CG2 4.48Å; I612-V642 HydrophobicContact CD1-CG2 3.62Å; I612-V642 HydrophobicContact CG1-CG2 4.45Å; V638-V642 WeakPolarHBondContact O-CG2 3.33Å; V638-V642 PolarHBondContact O-N 3.02Å; E640-V642 PolarHBondContact O-N 3.06Å; V642-V644 VanDerWaalsContact C-N 3.35Å; V642-V644 PolarHBondContact O-N 3.07Å; V642-L645 PolarHBondContact O-N 3.17Å; V642-Q646 HydrophobicContact CG1-CG 4.4Å; V642-Q646 WeakPolarHBondContact O-CB 3.49Å; V642-Q646 VanDerWaalsContact O-CG 3.31Å; V642-Q646 WeakPolarHBondContact O-CG 3.42Å; V642-Q646 PolarHBondContact O-N 2.89Å
643	K	91.3	Very high	85	Confident	106 Å²	106	71.4 Å²	71.4	46%	0.461	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-41.5	177.3	-71.8	158.6	-169.6	155.6	0	111.7	E639 E640 A641 Q646 Q647	E639-K643 VanDerWaalsContact O-CD 3.29Å; E639-K643 WeakPolarHBondContact O-CD 3.33Å; E639-K643 VanDerWaalsContact O-CG 3.27Å; E639-K643 WeakPolarHBondContact O-CG 3.27Å; E639-K643 PolarHBondContact O-N 3.23Å; E639-K643 VanDerWaalsContact O-N 3.16Å; E639-K643 IonicContact OE2-NZ 2.59Å; E640-K643 PolarHBondContact O-N 2.91Å; A641-K643 PolarHBondContact O-N 2.84Å; K643-Q646 PolarHBondContact O-N 3.44Å; K643-Q647 VanDerWaalsContact O-CG 3.3Å; K643-Q647 WeakPolarHBondContact O-CG 3.1Å; K643-Q647 PolarHBondContact O-N 3.3Å
644	V	89.7	Confident	83.5	Confident	66 Å²	66	77 Å²	77	40%	0.4	39%	0.387	S	S	.	.	H	α-helix	trans	-66.2	-42.7	175.5	174.5	0	0	0	0	111.6	M615 E640 A641 V642 Q646 Q647 H648	M615-V644 HydrophobicContact CE-CB 3.95Å; M615-V644 HydrophobicContact CE-CG1 3.71Å; E640-V644 PolarHBondContact O-N 3.31Å; E640-V644 VanDerWaalsContact O-N 3.16Å; A641-V644 PolarHBondContact O-N 3.49Å; V642-V644 VanDerWaalsContact C-N 3.35Å; V642-V644 PolarHBondContact O-N 3.07Å; V644-Q646 VanDerWaalsContact C-N 3.34Å; V644-Q646 PolarHBondContact O-N 3.23Å; V644-Q647 PolarHBondContact O-N 3.32Å; V644-H648 PolarHBondContact O-N 3.13Å
645	L	88.1	Confident	81.5	Confident	23 Å²	23	85.4 Å²	85.4	12%	0.12	43%	0.425	C	S	.	.	H	α-helix	trans	-65.6	-34.6	176.9	-72.9	169.1	0	0	0	112.9	L608 K611 I612 M615 A641 V642 K649	L608-L645 HydrophobicContact CB-CD1 4.37Å; L608-L645 HydrophobicContact CD1-CB 4.44Å; L608-L645 HydrophobicContact CD1-CD1 4.13Å; L608-L645 HydrophobicContact CD2-CD1 4.43Å; K611-L645 HydrophobicContact CB-CD1 3.97Å; K611-L645 HydrophobicContact CB-CD2 4.17Å; K611-L645 HydrophobicContact CD-CD2 4.06Å; I612-L645 HydrophobicContact CG1-CD1 3.66Å; M615-L645 HydrophobicContact CE-CG 4.5Å; M615-L645 HydrophobicContact SD-CD1 3.92Å; M615-L645 HydrophobicContact SD-CD2 3.72Å; M615-L645 HydrophobicContact SD-CG 3.65Å; A641-L645 WeakPolarHBondContact O-CG 3.32Å; A641-L645 PolarHBondContact O-N 3.5Å; V642-L645 PolarHBondContact O-N 3.17Å; L645-K649 WeakPolarHBondContact O-CG 3.32Å; L645-K649 PolarHBondContact O-N 2.97Å; L645-K649 VanDerWaalsContact O-N 3.11Å
646	Q	87.2	Confident	79.1	Confident	101 Å²	101	87.1 Å²	87.1	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-66.7	-44	172.2	-74.2	171.5	-9.3	0	0	111.5	V642 K643 V644 H648 K649 H650	V642-Q646 HydrophobicContact CG1-CG 4.4Å; V642-Q646 WeakPolarHBondContact O-CB 3.49Å; V642-Q646 VanDerWaalsContact O-CG 3.31Å; V642-Q646 WeakPolarHBondContact O-CG 3.42Å; V642-Q646 PolarHBondContact O-N 2.89Å; K643-Q646 PolarHBondContact O-N 3.44Å; V644-Q646 VanDerWaalsContact C-N 3.34Å; V644-Q646 PolarHBondContact O-N 3.23Å; Q646-H648 VanDerWaalsContact C-N 3.33Å; Q646-H648 PolarHBondContact O-N 2.79Å; Q646-K649 PolarHBondContact O-N 3.18Å; Q646-H650 PolarHBondContact O-CD2 3.41Å; Q646-H650 PolarHBondContact O-N 2.83Å
647	Q	83.4	Confident	78.4	Confident	133 Å²	133	88 Å²	88	62%	0.621	46%	0.461	S	S	*	.	H	α-helix	trans	-60.1	-41.8	175.5	-73.5	170.4	0.4	0	0	112	K643 V644 H650 A651	K643-Q647 VanDerWaalsContact O-CG 3.3Å; K643-Q647 WeakPolarHBondContact O-CG 3.1Å; K643-Q647 PolarHBondContact O-N 3.3Å; V644-Q647 PolarHBondContact O-N 3.32Å; Q647-H650 PolarHBondContact O-N 3.4Å; Q647-A651 PolarHBondContact O-N 3.43Å; Q647-A651 VanDerWaalsContact O-N 3.11Å
648	H	82.2	Confident	77.8	Confident	112 Å²	112	89.9 Å²	89.9	52%	0.519	47%	0.474	S	S	.	.	H	α-helix	trans	-63.8	-45.5	175.8	-121.3	-88.5	0	0	0	112.6	V644 Q646 H650 A651 E652	V644-H648 PolarHBondContact O-N 3.13Å; Q646-H648 VanDerWaalsContact C-N 3.33Å; Q646-H648 PolarHBondContact O-N 2.79Å; H648-H650 VanDerWaalsContact C-N 3.25Å; H648-H650 PolarHBondContact O-N 3.4Å; H648-A651 WeakPolarHBondContact O-CB 2.97Å; H648-A651 PolarHBondContact O-N 2.88Å; H648-E652 IonicContact CE1-OE1 3.68Å; H648-E652 IonicContact CG-OE1 2.71Å; H648-E652 IonicContact ND1-OE1 2.74Å; H648-E652 PolarHBondContact ND1-OE1 3.12Å; H648-E652 PolarHBondContact O-N 3.26Å
649	K	79.1	Confident	76.9	Confident	117 Å²	117	94.9 Å²	94.9	51%	0.509	50%	0.5	S	S	.	.	H	α-helix	trans	-57.9	-36.8	174.2	-76.9	-178.4	175.7	-177.5	0	112.6	L645 Q646 A651 G653	L645-K649 WeakPolarHBondContact O-CG 3.32Å; L645-K649 PolarHBondContact O-N 2.97Å; L645-K649 VanDerWaalsContact O-N 3.11Å; Q646-K649 PolarHBondContact O-N 3.18Å; K649-A651 VanDerWaalsContact C-N 3.33Å; K649-G653 PolarHBondContact O-N 2.59Å
650	H	73.8	Confident	76	Confident	143 Å²	143	96.1 Å²	96.1	66%	0.662	51%	0.509	S	S	*	.	H	α-helix	trans	-76.5	-14.6	176.5	-76.5	-58.8	0	0	0	114.7	Q646 Q647 H648	Q646-H650 PolarHBondContact O-CD2 3.41Å; Q646-H650 PolarHBondContact O-N 2.83Å; Q647-H650 PolarHBondContact O-N 3.4Å; H648-H650 VanDerWaalsContact C-N 3.25Å; H648-H650 PolarHBondContact O-N 3.4Å
651	A	70.3	Confident	75	Confident	50 Å²	50	96.6 Å²	96.6	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-86.3	-50.6	170	0	0	0	0	0	110.8	Q647 H648 K649 G653 K654 E655	Q647-A651 PolarHBondContact O-N 3.43Å; Q647-A651 VanDerWaalsContact O-N 3.11Å; H648-A651 WeakPolarHBondContact O-CB 2.97Å; H648-A651 PolarHBondContact O-N 2.88Å; K649-A651 VanDerWaalsContact C-N 3.33Å; A651-G653 VanDerWaalsContact C-N 3.3Å; A651-G653 PolarHBondContact O-N 2.93Å; A651-K654 PolarHBondContact O-N 2.72Å; A651-E655 PolarHBondContact O-N 3.38Å
652	E	64.6	Low	73.8	Confident	111 Å²	111	102.6 Å²	102.6	52%	0.519	55%	0.546	S	S	.	.	H	α-helix	trans	-58.1	-41.5	177.7	-71.7	163.8	-157.9	0	0	111.4	H648 K654 E655	H648-E652 IonicContact CE1-OE1 3.68Å; H648-E652 IonicContact CG-OE1 2.71Å; H648-E652 IonicContact ND1-OE1 2.74Å; H648-E652 PolarHBondContact ND1-OE1 3.12Å; H648-E652 PolarHBondContact O-N 3.26Å; E652-K654 PolarHBondContact O-N 2.93Å; E652-E655 PolarHBondContact O-N 2.81Å
653	G	57.1	Low	72.5	Confident	56 Å²	56	109.1 Å²	109.1	58%	0.577	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	19.2	172.5	0	0	0	0	0	116	K649 A651	K649-G653 PolarHBondContact O-N 2.59Å; A651-G653 VanDerWaalsContact C-N 3.3Å; A651-G653 PolarHBondContact O-N 2.93Å
654	K	55.7	Low	71	Confident	179 Å²	179	109.3 Å²	109.3	78%	0.778	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-5.4	169.8	-74	-173.5	174.4	-174.5	0	113.8	A651 E652	A651-K654 PolarHBondContact O-N 2.72Å; E652-K654 PolarHBondContact O-N 2.93Å
655	E	50.8	Low	69.5	Low	186 Å²	186	112.9 Å²	112.9	87%	0.869	60%	0.604	S	S	*	*			trans	-106.3	6.5	171.8	-65.5	-170.6	126.9	0	0	112.2	A651 E652	A651-E655 PolarHBondContact O-N 3.38Å; E652-E655 PolarHBondContact O-N 2.81Å
656	A	41.7	Very low	67.8	Low	144 Å²	144	121.1 Å²	121.1	100%	1.19	65%	0.648	S	S	*	*			trans	-124.5	0	172.4	0	0	0	0	0	110.6

Retrieved 656 of 656 residues in 290.3 ms (Link to these results)

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