A0A096NWV6_PAPAN Loading...

Juxtaposed with another zinc finger protein 1

Acts as a transcriptional corepressor of orphan nuclear receptor NR2C2. Inhibits expression of the gluconeogenesis enzyme PCK2 through inhibition of NR2C2 activity. Also involved in transcriptional activation of NAMPT by promoting expression of PPARA and PPARD. Plays a role in lipid metabolism by suppressing lipogenesis, increasing lipolysis and decreasing lipid accumulation in adipose tissue. Plays a role in glucose homeostasis by improving glucose metabolism and insulin sensitivity.

AlphaFold DB (Q86VZ6), UniProt , Accession A0A096NWV6, Species PAPAN (Papio anubis, Olive baboon), Gene JAZF1, Length 243 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	40.1	Very low	49.8	Very low	243 Å²	243	123.5 Å²	123.5	100%	1.197	75%	0.746	S	S	*	*				0	84.2	0	-69.7	148.1	72	0	0	109	G3	M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.15Å
2	T	44.3	Very low	52.7	Low	144 Å²	144	116.8 Å²	116.8	88%	0.883	70%	0.703	S	S	*	*			trans	-85.6	76.7	173.3	31.4	0	0	0	0	109.1	I4	T2-I4 PolarHBondContact O-N 2.99Å
3	G	38	Very low	55.3	Low	69 Å²	69	110.5 Å²	110.5	71%	0.711	67%	0.666	S	S	*	*			trans	-64.3	128.9	176.2	0	0	0	0	0	110.8	M1 A5	M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 3.15Å; G3-A5 VanDerWaalsContact C-N 3.35Å; G3-A5 PolarHBondContact O-N 3.24Å
4	I	48.8	Very low	57.8	Low	174 Å²	174	102.7 Å²	102.7	89%	0.892	62%	0.619	S	S	*	*			trans	-72.7	92.9	175	-58.2	174.4	0	0	0	107.5	T2 A6	T2-I4 PolarHBondContact O-N 2.99Å; I4-A6 PolarHBondContact O-N 3.21Å
5	A	37.9	Very low	59.6	Low	81 Å²	81	106.3 Å²	106.3	67%	0.669	62%	0.617	S	S	*	*			trans	-65.2	125.8	174.8	0	0	0	0	0	109.6	G3 A7	G3-A5 VanDerWaalsContact C-N 3.35Å; G3-A5 PolarHBondContact O-N 3.24Å; A5-A7 VanDerWaalsContact C-N 3.28Å; A5-A7 PolarHBondContact O-N 2.92Å
6	A	44.1	Very low	61.1	Low	102 Å²	102	105.1 Å²	105.1	84%	0.843	60%	0.602	S	S	*	*			trans	-68.2	87.7	171.5	0	0	0	0	0	109.1	I4 S8	I4-A6 PolarHBondContact O-N 3.21Å; A6-S8 PolarHBondContact O-N 3.1Å
7	A	46	Very low	61.8	Low	55 Å²	55	104.1 Å²	104.1	46%	0.455	62%	0.62	S	S	.	*			trans	-86.6	108	-168.2	0	0	0	0	0	111.3	A5 F9	A5-A7 VanDerWaalsContact C-N 3.28Å; A5-A7 PolarHBondContact O-N 2.92Å; A7-F9 HydrophobicContact CB-CD2 3.98Å; A7-F9 HydrophobicContact CB-CE2 3.3Å; A7-F9 HydrophobicContact CB-CZ 3.62Å; A7-F9 VanDerWaalsContact O-CD2 3.28Å; A7-F9 WeakPolarHBondContact O-CD2 3.49Å; A7-F9 PolarHBondContact O-N 3.12Å
8	S	48	Very low	62.8	Low	119 Å²	119	103.2 Å²	103.2	83%	0.832	64%	0.636	S	S	*	*			trans	-62.9	101.8	-179.6	-56	0	0	0	0	112.2	A6	A6-S8 PolarHBondContact O-N 3.1Å
9	F	55	Low	64.1	Low	106 Å²	106	99.6 Å²	99.6	47%	0.465	62%	0.615	S	S	.	*			trans	-125.7	115.1	175.8	-59.7	-52	0	0	0	111.3	A7 S11 R15	A7-F9 HydrophobicContact CB-CD2 3.98Å; A7-F9 HydrophobicContact CB-CE2 3.3Å; A7-F9 HydrophobicContact CB-CZ 3.62Å; A7-F9 VanDerWaalsContact O-CD2 3.28Å; A7-F9 WeakPolarHBondContact O-CD2 3.49Å; A7-F9 PolarHBondContact O-N 3.12Å; F9-S11 PolarHBondContact O-N 3.42Å; F9-R15 VanDerWaalsContact CD2-CZ 3.47Å; F9-R15 VanDerWaalsContact CZ-CZ 3.5Å
10	F	67.4	Low	65.1	Low	229 Å²	229	97.2 Å²	97.2	100%	1.004	61%	0.611	S	S	*	*	S	Bend	trans	-72.1	15.6	170.3	-94.3	-98.5	0	0	0	113.5
11	S	78.3	Confident	66.2	Low	37 Å²	37	97 Å²	97	26%	0.259	61%	0.605	S	S	.	*	S	Bend	trans	-114.7	118.3	-177.9	62.6	0	0	0	0	109.7	F9 T13	F9-S11 PolarHBondContact O-N 3.42Å; S11-T13 WeakPolarHBondContact CB-OG1 3.49Å; S11-T13 PolarHBondContact O-N 3.3Å
12	N	85	Confident	68.6	Low	42 Å²	42	91.6 Å²	91.6	23%	0.225	58%	0.576	C	S	.	*			trans	-74.2	65.3	176.1	-68.4	-31.8	0	0	0	110.3	H22 F23 P24 T25 L26 L29	N12-H22 WeakPolarHBondContact O-CA 3.47Å; N12-F23 HydrophobicContact CB-CB 4.28Å; N12-F23 VanDerWaalsContact CB-O 3.25Å; N12-F23 WeakPolarHBondContact CB-O 3.45Å; N12-F23 PolarHBondContact O-N 3.32Å; N12-P24 PolarHBondContact ND2-O 2.91Å; N12-T25 VanDerWaalsContact ND2-C 3.35Å; N12-L26 PolarHBondContact ND2-N 3.46Å; N12-L29 HydrophobicContact CB-CD2 4.5Å
13	T	86.6	Confident	70.7	Confident	36 Å²	36	86.3 Å²	86.3	22%	0.221	54%	0.541	C	S	.	.	B	Isolated β-bridge	trans	-124.3	128.2	-168.8	-45.9	0	0	0	0	111.5	S11 R15 G20 L21 H22	S11-T13 WeakPolarHBondContact CB-OG1 3.49Å; S11-T13 PolarHBondContact O-N 3.3Å; T13-R15 PolarHBondContact O-N 3.17Å; T13-G20 WeakPolarHBondContact CG2-O 3.38Å; T13-L21 CarbonylContact C-O 3.32Å; T13-L21 WeakPolarHBondContact CA-O 3.28Å; T13-H22 PolarHBondContact OG1-CD2 3.04Å; T13-H22 VanDerWaalsContact OG1-CD2 3.25Å
14	C	90.1	Very high	73	Confident	1 Å²	1	88.3 Å²	88.3	1%	0.007	54%	0.542	C	S	.	.			trans	-71.9	122.8	177.8	-172.2	0	0	0	0	111.2	C19 G20 L21 F23 L29 H32 H37	C14-C19 HydrophobicContact CB-CB 4.4Å; C14-G20 VanDerWaalsContact O-CA 3.31Å; C14-G20 WeakPolarHBondContact O-CA 3.2Å; C14-G20 PolarHBondContact O-N 3.39Å; C14-G20 VanDerWaalsContact O-N 3.1Å; C14-L21 PolarHBondContact N-O 3.48Å; C14-F23 HydrophobicContact CB-CE2 4.25Å; C14-L29 HydrophobicContact CB-CD1 3.96Å; C14-H32 PolarHBondContact SG-NE2 2.85Å; C14-H37 PolarHBondContact SG-NE2 3.31Å
15	R	85	Confident	74.9	Confident	157 Å²	157	83.1 Å²	83.1	59%	0.592	52%	0.518	S	S	*	.			trans	-107.3	7.5	-178.3	-64.1	-176	179.7	-128.7	1.8	114.1	F9 T13	F9-R15 VanDerWaalsContact CD2-CZ 3.47Å; F9-R15 VanDerWaalsContact CZ-CZ 3.5Å; T13-R15 PolarHBondContact O-N 3.17Å
16	F	83.5	Confident	77.3	Confident	87 Å²	87	84.3 Å²	84.3	38%	0.382	51%	0.513	S	S	.	.	S	Bend	trans	-64.9	153.8	168.6	-76.3	-93.6	0	0	0	110.7	G18 C19 I33 H37	F16-G18 PolarHBondContact O-N 3.4Å; F16-C19 WeakPolarHBondContact O-CB 3.39Å; F16-C19 PolarHBondContact O-N 3.27Å; F16-I33 HydrophobicContact CD2-CG1 4.16Å; F16-I33 HydrophobicContact CE2-CB 4.42Å; F16-I33 HydrophobicContact CE2-CD1 4.17Å; F16-I33 HydrophobicContact CE2-CG1 3.95Å; F16-I33 HydrophobicContact CE2-CG2 3.66Å; F16-I33 HydrophobicContact CZ-CG2 4.13Å; F16-H37 HydrophobicContact CB-CB 4.29Å; F16-H37 VanDerWaalsContact CB-ND1 3.25Å; F16-H37 WeakPolarHBondContact CB-ND1 3.45Å; F16-H37 HydrophobicContact CD1-CB 3.7Å; F16-H37 AromaticContact CD1-CG 3.97Å; F16-H37 HydrophobicContact CD2-CB 3.91Å; F16-H37 AromaticContact CD2-CG 3.85Å; F16-H37 HydrophobicContact CE1-CB 3.91Å; F16-H37 HydrophobicContact CE2-CB 4.12Å; F16-H37 HydrophobicContact CG-CB 3.7Å; F16-H37 AromaticContact CG-CG 3.53Å; F16-H37 AromaticContact CG-ND1 3.68Å; F16-H37 HydrophobicContact CZ-CB 4.11Å
17	G	72.5	Confident	79.4	Confident	87 Å²	87	82.5 Å²	82.5	90%	0.897	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	105.8	-160.8	0	0	0	0	0	114.9	C19	G17-C19 VanDerWaalsContact C-N 3.27Å; G17-C19 PolarHBondContact O-N 3.37Å
18	G	80.8	Confident	81.5	Confident	89 Å²	89	82.7 Å²	82.7	92%	0.918	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	3	177.7	0	0	0	0	0	116.1	F16	F16-G18 PolarHBondContact O-N 3.4Å
19	C	86.4	Confident	83.6	Confident	35 Å²	35	77.9 Å²	77.9	24%	0.236	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-54.4	-173.4	-173.6	0	0	0	0	113.3	C14 F16 G17 L21 H32	C14-C19 HydrophobicContact CB-CB 4.4Å; F16-C19 WeakPolarHBondContact O-CB 3.39Å; F16-C19 PolarHBondContact O-N 3.27Å; G17-C19 VanDerWaalsContact C-N 3.27Å; G17-C19 PolarHBondContact O-N 3.37Å; C19-L21 PolarHBondContact O-N 3.09Å; C19-H32 PolarHBondContact SG-NE2 3.31Å
20	G	84.7	Confident	85.2	Confident	51 Å²	51	76.5 Å²	76.5	53%	0.526	45%	0.453	S	S	.	.			trans	65	-3.3	169.9	0	0	0	0	0	117.5	T13 C14 H22	T13-G20 WeakPolarHBondContact CG2-O 3.38Å; C14-G20 VanDerWaalsContact O-CA 3.31Å; C14-G20 WeakPolarHBondContact O-CA 3.2Å; C14-G20 PolarHBondContact O-N 3.39Å; C14-G20 VanDerWaalsContact O-N 3.1Å; G20-H22 PolarHBondContact O-N 2.89Å
21	L	87.9	Confident	86.2	Confident	92 Å²	92	71.1 Å²	71.1	48%	0.482	43%	0.431	S	S	.	.			trans	-61.4	132.8	-174.8	-66	179	0	0	0	112.2	T13 C14 C19 F23	T13-L21 CarbonylContact C-O 3.32Å; T13-L21 WeakPolarHBondContact CA-O 3.28Å; C14-L21 PolarHBondContact N-O 3.48Å; C19-L21 PolarHBondContact O-N 3.09Å; L21-F23 HydrophobicContact CB-CE2 3.56Å; L21-F23 HydrophobicContact CB-CZ 3.76Å; L21-F23 HydrophobicContact CD1-CZ 4.14Å; L21-F23 WeakPolarHBondContact O-CD2 3.44Å; L21-F23 WeakPolarHBondContact O-CE2 3.5Å
22	H	90.2	Very high	86.8	Confident	130 Å²	130	70.1 Å²	70.1	60%	0.602	42%	0.422	S	S	*	.	B	Isolated β-bridge	trans	-100.9	134.8	174.8	-170.4	-66	0	0	0	110.7	N12 T13 G20	N12-H22 WeakPolarHBondContact O-CA 3.47Å; T13-H22 PolarHBondContact OG1-CD2 3.04Å; T13-H22 VanDerWaalsContact OG1-CD2 3.25Å; G20-H22 PolarHBondContact O-N 2.89Å
23	F	89.1	Confident	87	Confident	33 Å²	33	70 Å²	70	15%	0.145	42%	0.421	C	S	.	.			trans	-115.6	151.1	-175.2	-67.2	-85.3	0	0	0	111.4	N12 C14 L21 D28 L29 H32	N12-F23 HydrophobicContact CB-CB 4.28Å; N12-F23 VanDerWaalsContact CB-O 3.25Å; N12-F23 WeakPolarHBondContact CB-O 3.45Å; N12-F23 PolarHBondContact O-N 3.32Å; C14-F23 HydrophobicContact CB-CE2 4.25Å; L21-F23 HydrophobicContact CB-CE2 3.56Å; L21-F23 HydrophobicContact CB-CZ 3.76Å; L21-F23 HydrophobicContact CD1-CZ 4.14Å; L21-F23 WeakPolarHBondContact O-CD2 3.44Å; L21-F23 WeakPolarHBondContact O-CE2 3.5Å; F23-D28 HydrophobicContact CB-CB 4.13Å; F23-D28 HydrophobicContact CD1-CB 3.77Å; F23-D28 HydrophobicContact CG-CB 4.29Å; F23-L29 HydrophobicContact CB-CB 4.16Å; F23-L29 HydrophobicContact CD2-CB 4.07Å; F23-L29 HydrophobicContact CD2-CD1 3.74Å; F23-L29 HydrophobicContact CE2-CD1 4.08Å; F23-L29 HydrophobicContact CG-CB 4.22Å; F23-H32 HydrophobicContact CE1-CB 3.76Å; F23-H32 HydrophobicContact CE2-CB 3.98Å; F23-H32 AromaticContact CE2-CD2 3.52Å; F23-H32 AromaticContact CE2-CG 3.75Å; F23-H32 HydrophobicContact CZ-CB 3.41Å; F23-H32 VanDerWaalsContact CZ-CB 3.41Å; F23-H32 AromaticContact CZ-CD2 3.52Å; F23-H32 AromaticContact CZ-CG 3.25Å; F23-H32 AromaticContact CZ-ND1 3.83Å
24	P	85.5	Confident	87.1	Confident	112 Å²	112	72.7 Å²	72.7	73%	0.727	43%	0.431	S	S	*	.	S	Bend	trans	-72.6	-38.6	179.5	26.7	-29	0	0	0	111.5	N12 D28	N12-P24 PolarHBondContact ND2-O 2.91Å; P24-D28 WeakPolarHBondContact CG-OD2 3.4Å
25	T	88.9	Confident	86.8	Confident	65 Å²	65	77 Å²	77	40%	0.399	45%	0.454	S	S	.	.	S	Bend	trans	-118.7	163.2	177	83.4	0	0	0	0	112.8	N12 A27 D28 L29	N12-T25 VanDerWaalsContact ND2-C 3.35Å; T25-A27 PolarHBondContact O-N 3.21Å; T25-A27 PolarHBondContact OG1-N 3.44Å; T25-A27 VanDerWaalsContact OG1-N 3.15Å; T25-D28 WeakPolarHBondContact CA-OD2 3.45Å; T25-D28 VanDerWaalsContact CB-OD2 3.24Å; T25-D28 WeakPolarHBondContact CB-OD2 3.44Å; T25-D28 WeakPolarHBondContact CG2-OD2 3.18Å; T25-D28 PolarHBondContact N-OD2 3.5Å; T25-D28 PolarHBondContact OG1-N 3.22Å; T25-D28 PolarHBondContact OG1-OD2 3.12Å; T25-L29 PolarHBondContact O-N 3.08Å
26	L	88.6	Confident	86.8	Confident	106 Å²	106	74.6 Å²	74.6	56%	0.555	45%	0.453	S	S	*	.	H	α-helix	trans	-64.4	-28.9	170.4	178.7	60.5	0	0	0	111.9	N12 L29 I30	N12-L26 PolarHBondContact ND2-N 3.46Å; L26-L29 HydrophobicContact CD1-CD2 4.27Å; L26-L29 PolarHBondContact O-N 2.93Å; L26-I30 HydrophobicContact CD1-CD1 4.18Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 3.91Å; L26-I30 VanDerWaalsContact O-CG1 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.47Å; L26-I30 PolarHBondContact O-N 3.48Å
27	A	88.9	Confident	86.9	Confident	64 Å²	64	73.4 Å²	73.4	53%	0.529	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-43.4	179.2	0	0	0	0	0	111.5	T25 L29 I30 E31	T25-A27 PolarHBondContact O-N 3.21Å; T25-A27 PolarHBondContact OG1-N 3.44Å; T25-A27 VanDerWaalsContact OG1-N 3.15Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 3.1Å; A27-I30 PolarHBondContact O-N 2.82Å; A27-E31 PolarHBondContact O-N 3.36Å
28	D	90.1	Very high	87.2	Confident	58 Å²	58	73.3 Å²	73.3	31%	0.31	43%	0.426	S	S	.	.	H	α-helix	trans	-67.5	-34.3	178	-35	-70	0	0	0	111.2	F23 P24 T25 H32	F23-D28 HydrophobicContact CB-CB 4.13Å; F23-D28 HydrophobicContact CD1-CB 3.77Å; F23-D28 HydrophobicContact CG-CB 4.29Å; P24-D28 WeakPolarHBondContact CG-OD2 3.4Å; T25-D28 WeakPolarHBondContact CA-OD2 3.45Å; T25-D28 VanDerWaalsContact CB-OD2 3.24Å; T25-D28 WeakPolarHBondContact CB-OD2 3.44Å; T25-D28 WeakPolarHBondContact CG2-OD2 3.18Å; T25-D28 PolarHBondContact N-OD2 3.5Å; T25-D28 PolarHBondContact OG1-N 3.22Å; T25-D28 PolarHBondContact OG1-OD2 3.12Å; D28-H32 VanDerWaalsContact O-CB 3.25Å; D28-H32 WeakPolarHBondContact O-CB 3.37Å; D28-H32 PolarHBondContact O-N 2.82Å
29	L	90.3	Very high	86.7	Confident	18 Å²	18	73.7 Å²	73.7	9%	0.094	41%	0.407	C	S	.	.	H	α-helix	trans	-63.5	-42.3	171.9	175	64.5	0	0	0	111.7	N12 C14 F23 T25 L26 A27 I33	N12-L29 HydrophobicContact CB-CD2 4.5Å; C14-L29 HydrophobicContact CB-CD1 3.96Å; F23-L29 HydrophobicContact CB-CB 4.16Å; F23-L29 HydrophobicContact CD2-CB 4.07Å; F23-L29 HydrophobicContact CD2-CD1 3.74Å; F23-L29 HydrophobicContact CE2-CD1 4.08Å; F23-L29 HydrophobicContact CG-CB 4.22Å; T25-L29 PolarHBondContact O-N 3.08Å; L26-L29 HydrophobicContact CD1-CD2 4.27Å; L26-L29 PolarHBondContact O-N 2.93Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 3.1Å; L29-I33 HydrophobicContact CD1-CD1 3.88Å; L29-I33 HydrophobicContact CD1-CG1 4.32Å; L29-I33 HydrophobicContact CG-CD1 3.96Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 3.41Å
30	I	88.5	Confident	86	Confident	78 Å²	78	77 Å²	77	40%	0.4	43%	0.426	S	S	.	.	H	α-helix	trans	-66.8	-48.6	177.7	-69.9	165.2	0	0	0	110.3	L26 A27 H32 I33 E34	L26-I30 HydrophobicContact CD1-CD1 4.18Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 3.91Å; L26-I30 VanDerWaalsContact O-CG1 3.27Å; L26-I30 WeakPolarHBondContact O-CG1 3.47Å; L26-I30 PolarHBondContact O-N 3.48Å; A27-I30 PolarHBondContact O-N 2.82Å; I30-H32 VanDerWaalsContact C-N 3.28Å; I30-H32 PolarHBondContact O-N 3.28Å; I30-I33 PolarHBondContact O-N 3.15Å; I30-E34 HydrophobicContact CG2-CG 4.28Å; I30-E34 WeakPolarHBondContact O-CG 3.28Å; I30-E34 PolarHBondContact O-N 2.82Å
31	E	89.6	Confident	85.3	Confident	116 Å²	116	78 Å²	78	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-60.2	-38.7	177.5	-173.5	167	-152.3	0	0	111.2	A27 D35	A27-E31 PolarHBondContact O-N 3.36Å; E31-D35 WeakPolarHBondContact O-CB 3.36Å; E31-D35 PolarHBondContact O-N 3.15Å
32	H	91.1	Very high	84.6	Confident	16 Å²	16	78.1 Å²	78.1	7%	0.074	43%	0.426	C	S	.	.	H	α-helix	trans	-61.8	-45	171.4	169.6	63.7	0	0	0	113	C14 C19 F23 D28 I30 N36 H37	C14-H32 PolarHBondContact SG-NE2 2.85Å; C19-H32 PolarHBondContact SG-NE2 3.31Å; F23-H32 HydrophobicContact CE1-CB 3.76Å; F23-H32 HydrophobicContact CE2-CB 3.98Å; F23-H32 AromaticContact CE2-CD2 3.52Å; F23-H32 AromaticContact CE2-CG 3.75Å; F23-H32 HydrophobicContact CZ-CB 3.41Å; F23-H32 VanDerWaalsContact CZ-CB 3.41Å; F23-H32 AromaticContact CZ-CD2 3.52Å; F23-H32 AromaticContact CZ-CG 3.25Å; F23-H32 AromaticContact CZ-ND1 3.83Å; D28-H32 VanDerWaalsContact O-CB 3.25Å; D28-H32 WeakPolarHBondContact O-CB 3.37Å; D28-H32 PolarHBondContact O-N 2.82Å; I30-H32 VanDerWaalsContact C-N 3.28Å; I30-H32 PolarHBondContact O-N 3.28Å; H32-N36 PolarHBondContact ND1-ND2 3.02Å; H32-N36 VanDerWaalsContact ND1-ND2 3.14Å; H32-N36 WeakPolarHBondContact O-CB 3.34Å; H32-N36 PolarHBondContact O-N 3.22Å; H32-N36 PolarHBondContact O-ND2 3.23Å; H32-H37 AromaticContact CE1-CD2 3.92Å; H32-H37 AromaticContact CE1-NE2 3.44Å; H32-H37 PolarHBondContact CE1-NE2 3.02Å; H32-H37 AromaticContact NE2-CD2 3.48Å; H32-H37 PolarHBondContact NE2-CD2 2.88Å; H32-H37 AromaticContact NE2-NE2 3.05Å; H32-H37 PolarHBondContact NE2-NE2 2.91Å
33	I	89.2	Confident	83.9	Confident	38 Å²	38	80.5 Å²	80.5	20%	0.195	43%	0.43	C	S	.	.	H	α-helix	trans	-65	-45.3	178.6	-72.2	167.3	0	0	0	111	F16 L29 I30 H37 I38	F16-I33 HydrophobicContact CD2-CG1 4.16Å; F16-I33 HydrophobicContact CE2-CB 4.42Å; F16-I33 HydrophobicContact CE2-CD1 4.17Å; F16-I33 HydrophobicContact CE2-CG1 3.95Å; F16-I33 HydrophobicContact CE2-CG2 3.66Å; F16-I33 HydrophobicContact CZ-CG2 4.13Å; L29-I33 HydrophobicContact CD1-CD1 3.88Å; L29-I33 HydrophobicContact CD1-CG1 4.32Å; L29-I33 HydrophobicContact CG-CD1 3.96Å; L29-I33 VanDerWaalsContact O-CG1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 3.41Å; I30-I33 PolarHBondContact O-N 3.15Å; I33-H37 PolarHBondContact O-N 3.3Å; I33-I38 HydrophobicContact CG2-CD1 3.7Å; I33-I38 HydrophobicContact CG2-CG1 4.02Å; I33-I38 PolarHBondContact O-N 3.32Å; I33-I38 VanDerWaalsContact O-N 3.14Å
34	E	87.9	Confident	83.1	Confident	94 Å²	94	81.7 Å²	81.7	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-60.4	-49.8	177.3	-73	-175.2	179.5	0	0	112.2	I30 I38 R205	I30-E34 HydrophobicContact CG2-CG 4.28Å; I30-E34 WeakPolarHBondContact O-CG 3.28Å; I30-E34 PolarHBondContact O-N 2.82Å; E34-I38 VanDerWaalsContact O-O 3.11Å; E34-R205 IonicContact OE2-NH2 3.96Å
35	D	84.5	Confident	82.5	Confident	91 Å²	91	80.3 Å²	80.3	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-88.1	-8.3	-173.1	-80.9	7	0	0	0	113.9	E31 R205	E31-D35 WeakPolarHBondContact O-CB 3.36Å; E31-D35 PolarHBondContact O-N 3.15Å; D35-R205 IonicContact OD1-CZ 3.48Å; D35-R205 IonicContact OD1-NH1 2.8Å; D35-R205 PolarHBondContact OD1-NH1 3.18Å; D35-R205 IonicContact OD1-NH2 3.12Å; D35-R205 PolarHBondContact OD1-NH2 3.08Å; D35-R205 VanDerWaalsContact OD1-NH2 3.12Å; D35-R205 IonicContact OD2-NH1 3.9Å
36	N	83.9	Confident	82	Confident	106 Å²	106	83.2 Å²	83.2	57%	0.567	44%	0.435	S	S	*	.	H	α-helix	trans	-123.4	-26.3	-178.3	-58.8	-104.6	0	0	0	115.8	H32	H32-N36 PolarHBondContact ND1-ND2 3.02Å; H32-N36 VanDerWaalsContact ND1-ND2 3.14Å; H32-N36 WeakPolarHBondContact O-CB 3.34Å; H32-N36 PolarHBondContact O-N 3.22Å; H32-N36 PolarHBondContact O-ND2 3.23Å
37	H	85.8	Confident	81.6	Confident	62 Å²	62	85.6 Å²	85.6	29%	0.287	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-14.5	-171.4	-63.4	-72.3	0	0	0	114.4	C14 F16 H32 I33	C14-H37 PolarHBondContact SG-NE2 3.31Å; F16-H37 HydrophobicContact CB-CB 4.29Å; F16-H37 VanDerWaalsContact CB-ND1 3.25Å; F16-H37 WeakPolarHBondContact CB-ND1 3.45Å; F16-H37 HydrophobicContact CD1-CB 3.7Å; F16-H37 AromaticContact CD1-CG 3.97Å; F16-H37 HydrophobicContact CD2-CB 3.91Å; F16-H37 AromaticContact CD2-CG 3.85Å; F16-H37 HydrophobicContact CE1-CB 3.91Å; F16-H37 HydrophobicContact CE2-CB 4.12Å; F16-H37 HydrophobicContact CG-CB 3.7Å; F16-H37 AromaticContact CG-CG 3.53Å; F16-H37 AromaticContact CG-ND1 3.68Å; F16-H37 HydrophobicContact CZ-CB 4.11Å; H32-H37 AromaticContact CE1-CD2 3.92Å; H32-H37 AromaticContact CE1-NE2 3.44Å; H32-H37 PolarHBondContact CE1-NE2 3.02Å; H32-H37 AromaticContact NE2-CD2 3.48Å; H32-H37 PolarHBondContact NE2-CD2 2.88Å; H32-H37 AromaticContact NE2-NE2 3.05Å; H32-H37 PolarHBondContact NE2-NE2 2.91Å; I33-H37 PolarHBondContact O-N 3.3Å
38	I	80.1	Confident	80.8	Confident	86 Å²	86	89.6 Å²	89.6	44%	0.441	45%	0.448	S	S	.	.	S	Bend	trans	-115	97.8	177.2	-57.1	179.5	0	0	0	108.8	I33 E34 T40	I33-I38 HydrophobicContact CG2-CD1 3.7Å; I33-I38 HydrophobicContact CG2-CG1 4.02Å; I33-I38 PolarHBondContact O-N 3.32Å; I33-I38 VanDerWaalsContact O-N 3.14Å; E34-I38 VanDerWaalsContact O-O 3.11Å; I38-T40 PolarHBondContact O-N 3.15Å; I38-T40 VanDerWaalsContact O-N 3.07Å; I38-T40 PolarHBondContact O-OG1 2.97Å
39	D	70.1	Confident	80.1	Confident	97 Å²	97	94 Å²	94	52%	0.519	47%	0.467	S	S	.	.			trans	-61.3	117.7	173.5	-167.4	-13.4	0	0	0	109.7	D41	D39-D41 PolarHBondContact OD1-N 3.46Å
40	T	71	Confident	79.7	Confident	103 Å²	103	100.2 Å²	100.2	63%	0.632	50%	0.499	S	S	*	.			trans	-112.2	12	-174.6	-52.4	0	0	0	0	111	I38 P42	I38-T40 PolarHBondContact O-N 3.15Å; I38-T40 VanDerWaalsContact O-N 3.07Å; I38-T40 PolarHBondContact O-OG1 2.97Å; T40-P42 VanDerWaalsContact O-CD 3.29Å; T40-P42 WeakPolarHBondContact O-CD 3.46Å
41	D	70.8	Confident	79.2	Confident	72 Å²	72	103.3 Å²	103.3	39%	0.385	51%	0.512	S	S	.	.			trans	-69.4	116.2	168.2	-171.9	-20.9	0	0	0	109.5	D39 R43 V44 L45	D39-D41 PolarHBondContact OD1-N 3.46Å; D41-R43 PolarHBondContact O-N 2.91Å; D41-R43 VanDerWaalsContact OD1-CB 3.29Å; D41-R43 WeakPolarHBondContact OD1-CB 3.31Å; D41-R43 PolarHBondContact OD1-N 2.97Å; D41-V44 HydrophobicContact CB-CB 4.47Å; D41-V44 HydrophobicContact CB-CG2 4.09Å; D41-V44 PolarHBondContact O-N 3.02Å; D41-L45 PolarHBondContact O-N 2.74Å; D41-L45 VanDerWaalsContact O-N 3.13Å
42	P	71.6	Confident	78.3	Confident	95 Å²	95	105.4 Å²	105.4	62%	0.617	52%	0.522	S	S	*	.	H	α-helix	trans	-58.6	-21.2	178.8	25.2	-35.5	0	0	0	113.2	T40 E46	T40-P42 VanDerWaalsContact O-CD 3.29Å; T40-P42 WeakPolarHBondContact O-CD 3.46Å; P42-E46 WeakPolarHBondContact O-CB 3.29Å; P42-E46 PolarHBondContact O-N 2.94Å
43	R	75.8	Confident	77.5	Confident	181 Å²	181	108.6 Å²	108.6	68%	0.683	54%	0.544	S	S	*	.	H	α-helix	trans	-76.6	-23.3	175.9	-65.2	173.8	158.4	-166.9	-7.5	113.8	D41 K47	D41-R43 PolarHBondContact O-N 2.91Å; D41-R43 VanDerWaalsContact OD1-CB 3.29Å; D41-R43 WeakPolarHBondContact OD1-CB 3.31Å; D41-R43 PolarHBondContact OD1-N 2.97Å; R43-K47 WeakPolarHBondContact O-CD 3.13Å; R43-K47 VanDerWaalsContact O-CG 3.31Å; R43-K47 WeakPolarHBondContact O-CG 2.99Å
44	V	72.8	Confident	77	Confident	58 Å²	58	113.8 Å²	113.8	35%	0.352	58%	0.578	S	S	.	*	H	α-helix	trans	-83	-43.4	172.5	179.8	0	0	0	0	108.6	D41 K47 Q48	D41-V44 HydrophobicContact CB-CB 4.47Å; D41-V44 HydrophobicContact CB-CG2 4.09Å; D41-V44 PolarHBondContact O-N 3.02Å; V44-K47 PolarHBondContact O-N 3.13Å; V44-Q48 WeakPolarHBondContact O-CB 3.49Å; V44-Q48 PolarHBondContact O-N 3Å
45	L	72.8	Confident	76.7	Confident	82 Å²	82	118.2 Å²	118.2	43%	0.429	59%	0.592	S	S	.	*	H	α-helix	trans	-56.3	-52	172.2	-121.2	88.9	0	0	0	112.3	D41 K47 Q48 E49	D41-L45 PolarHBondContact O-N 2.74Å; D41-L45 VanDerWaalsContact O-N 3.13Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 2.85Å; L45-Q48 CarbonylContact O-C 2.93Å; L45-Q48 WeakPolarHBondContact O-CA 3.48Å; L45-Q48 PolarHBondContact O-N 2.92Å; L45-E49 WeakPolarHBondContact O-CG 3.29Å; L45-E49 PolarHBondContact O-N 2.85Å
46	E	79.7	Confident	76.6	Confident	126 Å²	126	117 Å²	117	59%	0.589	59%	0.588	S	S	*	*	H	α-helix	trans	-57.4	-38.7	-179.7	179.4	176.8	-145.1	0	0	112.1	P42 L50	P42-E46 WeakPolarHBondContact O-CB 3.29Å; P42-E46 PolarHBondContact O-N 2.94Å; E46-L50 WeakPolarHBondContact O-CB 3.15Å; E46-L50 PolarHBondContact O-N 2.86Å
47	K	78.2	Confident	76.5	Confident	157 Å²	157	114.3 Å²	114.3	68%	0.683	58%	0.58	S	S	*	*	H	α-helix	trans	-67.4	-38.5	173.3	-75.2	175.1	179.5	-179.2	0	112.7	R43 V44 L45 L50 Q51	R43-K47 WeakPolarHBondContact O-CD 3.13Å; R43-K47 VanDerWaalsContact O-CG 3.31Å; R43-K47 WeakPolarHBondContact O-CG 2.99Å; V44-K47 PolarHBondContact O-N 3.13Å; L45-K47 VanDerWaalsContact C-N 3.28Å; L45-K47 PolarHBondContact O-N 2.85Å; K47-L50 PolarHBondContact O-N 2.95Å; K47-Q51 PolarHBondContact O-N 3.03Å
48	Q	73.5	Confident	76.3	Confident	148 Å²	148	117.1 Å²	117.1	69%	0.692	60%	0.597	S	S	*	*	H	α-helix	trans	-74.4	-26.9	179.5	-164.3	172.5	-75.5	0	0	112.3	V44 L45	V44-Q48 WeakPolarHBondContact O-CB 3.49Å; V44-Q48 PolarHBondContact O-N 3Å; L45-Q48 CarbonylContact O-C 2.93Å; L45-Q48 WeakPolarHBondContact O-CA 3.48Å; L45-Q48 PolarHBondContact O-N 2.92Å
49	E	75	Confident	76.4	Confident	150 Å²	150	117.2 Å²	117.2	70%	0.701	61%	0.605	S	S	*	*	H	α-helix	trans	-75.3	-31.5	168.7	-69.5	-179.8	159.7	0	0	112.2	L45 Q51	L45-E49 WeakPolarHBondContact O-CG 3.29Å; L45-E49 PolarHBondContact O-N 2.85Å; E49-Q51 VanDerWaalsContact C-N 3.34Å
50	L	80.9	Confident	76.8	Confident	148 Å²	148	122.1 Å²	122.1	78%	0.775	62%	0.618	S	S	*	*	H	α-helix	trans	-72.2	-26.4	172.3	-130.2	77.1	0	0	0	113.2	E46 K47 Q52	E46-L50 WeakPolarHBondContact O-CB 3.15Å; E46-L50 PolarHBondContact O-N 2.86Å; K47-L50 PolarHBondContact O-N 2.95Å; L50-Q52 PolarHBondContact O-N 3.34Å
51	Q	78	Confident	77.3	Confident	143 Å²	143	122.6 Å²	122.6	67%	0.668	62%	0.615	S	S	*	*	S	Bend	trans	-68.6	114.6	175.4	-173	69	72.2	0	0	108.9	K47 E49	K47-Q51 PolarHBondContact O-N 3.03Å; E49-Q51 VanDerWaalsContact C-N 3.34Å
52	Q	71.5	Confident	77.8	Confident	161 Å²	161	124.3 Å²	124.3	75%	0.752	62%	0.624	S	S	*	*			trans	-55.5	135.6	-177.3	-70.1	-151.6	28.3	0	0	111.6	L50	L50-Q52 PolarHBondContact O-N 3.34Å
53	P	73.7	Confident	77.9	Confident	83 Å²	83	129.4 Å²	129.4	54%	0.539	63%	0.631	S	S	.	*			trans	-65.7	141.6	-175.5	28.4	-35.8	0	0	0	110.6	Y55 V56	P53-Y55 PolarHBondContact O-N 3.04Å; P53-V56 HydrophobicContact CG-CG2 4.49Å
54	T	79.1	Confident	77.7	Confident	147 Å²	147	129.4 Å²	129.4	90%	0.902	64%	0.636	S	S	*	*	S	Bend	trans	-63.8	-11.9	-177.9	51.3	0	0	0	0	114.1
55	Y	82.3	Confident	77.9	Confident	186 Å²	186	130.3 Å²	130.3	73%	0.729	64%	0.638	S	S	*	*	S	Bend	trans	-140.5	140.1	167.3	62.9	-80.6	0	0	0	109.3	P53	P53-Y55 PolarHBondContact O-N 3.04Å
56	V	81.1	Confident	78.3	Confident	66 Å²	66	129.8 Å²	129.8	40%	0.4	64%	0.638	S	S	.	*			trans	-103	135.4	173.2	175	0	0	0	0	108.1	P53 L58 Y60 I61	P53-V56 HydrophobicContact CG-CG2 4.49Å; V56-L58 PolarHBondContact O-N 3.33Å; V56-Y60 HydrophobicContact CG1-CG 4.37Å; V56-I61 HydrophobicContact CB-CD1 4.44Å; V56-I61 HydrophobicContact CG1-CD1 4.41Å; V56-I61 HydrophobicContact CG1-CG1 4.13Å
57	A	83.6	Confident	78.3	Confident	50 Å²	50	126.8 Å²	126.8	41%	0.413	63%	0.626	S	S	.	*			trans	-63	135.2	177.1	0	0	0	0	0	110.5	S59 Y60	A57-S59 PolarHBondContact O-N 3Å; A57-Y60 HydrophobicContact CB-CD2 4.27Å; A57-Y60 PolarHBondContact O-N 2.97Å
58	L	80.7	Confident	78.5	Confident	120 Å²	120	122.7 Å²	122.7	63%	0.628	62%	0.621	S	S	*	*	H	α-helix	trans	-57.9	-21.8	-174.6	-68.4	178.8	0	0	0	113.8	V56 Y60 I61 N62	V56-L58 PolarHBondContact O-N 3.33Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 3.21Å; L58-I61 HydrophobicContact CD2-CD1 4.45Å; L58-I61 PolarHBondContact O-N 3.39Å; L58-N62 VanDerWaalsContact O-CB 3.29Å; L58-N62 WeakPolarHBondContact O-CB 3.46Å; L58-N62 PolarHBondContact O-N 3.01Å
59	S	82.3	Confident	78.7	Confident	88 Å²	88	116.9 Å²	116.9	62%	0.615	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-20.8	173.4	48.8	0	0	0	0	114.9	A57	A57-S59 PolarHBondContact O-N 3Å
60	Y	78	Confident	78.9	Confident	200 Å²	200	117.2 Å²	117.2	78%	0.784	59%	0.594	S	S	*	*	H	α-helix	trans	-83.5	-26.2	172.9	-80.4	-103.1	0	0	0	112.5	V56 A57 L58	V56-Y60 HydrophobicContact CG1-CG 4.37Å; A57-Y60 HydrophobicContact CB-CD2 4.27Å; A57-Y60 PolarHBondContact O-N 2.97Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 3.21Å
61	I	80.8	Confident	78.8	Confident	114 Å²	114	118.2 Å²	118.2	59%	0.585	59%	0.587	S	S	*	*	H	α-helix	trans	-89.6	-50.4	180	-55.8	175	0	0	0	109.5	V56 L58 R63	V56-I61 HydrophobicContact CB-CD1 4.44Å; V56-I61 HydrophobicContact CG1-CD1 4.41Å; V56-I61 HydrophobicContact CG1-CG1 4.13Å; L58-I61 HydrophobicContact CD2-CD1 4.45Å; L58-I61 PolarHBondContact O-N 3.39Å; I61-R63 PolarHBondContact O-N 2.79Å
62	N	81.7	Confident	78.7	Confident	107 Å²	107	117.1 Å²	117.1	57%	0.572	58%	0.582	S	S	*	*	S	Bend	trans	-84.1	90	175.7	-63	-22.2	0	0	0	109.3	L58 F64	L58-N62 VanDerWaalsContact O-CB 3.29Å; L58-N62 WeakPolarHBondContact O-CB 3.46Å; L58-N62 PolarHBondContact O-N 3.01Å; N62-F64 PolarHBondContact O-N 3.49Å
63	R	73.8	Confident	78.7	Confident	202 Å²	202	113.9 Å²	113.9	76%	0.762	57%	0.567	S	S	*	*			trans	-45.1	109.5	168.1	171.2	-176.5	159.1	120	-1.1	109.7	I61 M65	I61-R63 PolarHBondContact O-N 2.79Å; R63-M65 HydrophobicContact CG-CG 4.26Å; R63-M65 PolarHBondContact O-N 3.38Å; R63-M65 VanDerWaalsContact O-N 3.09Å
64	F	72.5	Confident	78.7	Confident	181 Å²	181	114.2 Å²	114.2	79%	0.794	56%	0.561	S	S	*	*			trans	-62.1	113.6	176.3	-176.9	-97.3	0	0	0	109.6	N62 T66	N62-F64 PolarHBondContact O-N 3.49Å; F64-T66 HydrophobicContact CE1-CG2 3.96Å
65	M	76.7	Confident	78.3	Confident	78 Å²	78	110.4 Å²	110.4	38%	0.384	54%	0.541	S	S	.	.			trans	-109.8	128.1	170	-68.3	-167.5	62.3	0	0	108.2	R63 A69	R63-M65 HydrophobicContact CG-CG 4.26Å; R63-M65 PolarHBondContact O-N 3.38Å; R63-M65 VanDerWaalsContact O-N 3.09Å; M65-A69 HydrophobicContact CE-CB 3.92Å
66	T	81.7	Confident	77.6	Confident	71 Å²	71	106 Å²	106	44%	0.436	53%	0.529	S	S	.	.			trans	-64.4	155.6	174.3	56.5	0	0	0	0	110.3	F64 A68 A69 R70	F64-T66 HydrophobicContact CE1-CG2 3.96Å; T66-A68 PolarHBondContact O-N 3.37Å; T66-A69 PolarHBondContact O-N 2.94Å; T66-A69 VanDerWaalsContact O-N 3.08Å; T66-A69 WeakPolarHBondContact OG1-CB 3.31Å; T66-A69 PolarHBondContact OG1-N 3.43Å; T66-R70 PolarHBondContact O-N 2.86Å
67	D	79.3	Confident	76.8	Confident	63 Å²	63	108.9 Å²	108.9	34%	0.337	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-30.6	178.1	-161.5	-116.3	0	0	0	112.1	R70 R71	D67-R70 WeakPolarHBondContact O-CB 3.46Å; D67-R70 PolarHBondContact O-N 3.14Å; D67-R70 IonicContact OD2-CZ 3.21Å; D67-R70 IonicContact OD2-NE 2.92Å; D67-R70 PolarHBondContact OD2-NE 3.21Å; D67-R70 IonicContact OD2-NH2 2.68Å; D67-R70 PolarHBondContact OD2-NH2 2.78Å; D67-R71 VanDerWaalsContact O-CG 3.3Å; D67-R71 WeakPolarHBondContact O-CG 3.49Å; D67-R71 PolarHBondContact O-N 3.01Å; D67-R71 IonicContact OD1-CZ 3.19Å; D67-R71 IonicContact OD1-NE 3.65Å; D67-R71 PolarHBondContact OD1-NE 2.95Å; D67-R71 IonicContact OD1-NH2 2.73Å; D67-R71 PolarHBondContact OD1-NH2 2.99Å
68	A	81.8	Confident	75.8	Confident	70 Å²	70	113 Å²	113	58%	0.579	55%	0.545	S	S	*	.	H	α-helix	trans	-59.1	-52.3	169.8	0	0	0	0	0	112.3	T66 R70 R71 E72	T66-A68 PolarHBondContact O-N 3.37Å; A68-R70 PolarHBondContact O-N 3.12Å; A68-R71 PolarHBondContact O-N 2.8Å; A68-R71 VanDerWaalsContact O-N 3.13Å; A68-E72 PolarHBondContact O-N 2.95Å
69	A	79.2	Confident	74.8	Confident	27 Å²	27	116.2 Å²	116.2	22%	0.223	55%	0.554	C	S	.	*	H	α-helix	trans	-64.5	-27.8	178.2	0	0	0	0	0	112.8	M65 T66 Q73	M65-A69 HydrophobicContact CE-CB 3.92Å; T66-A69 PolarHBondContact O-N 2.94Å; T66-A69 VanDerWaalsContact O-N 3.08Å; T66-A69 WeakPolarHBondContact OG1-CB 3.31Å; T66-A69 PolarHBondContact OG1-N 3.43Å; A69-Q73 PolarHBondContact O-N 3.07Å
70	R	77.9	Confident	73.6	Confident	156 Å²	156	118.7 Å²	118.7	59%	0.589	56%	0.559	S	S	*	*	H	α-helix	trans	-66.5	-48.4	171.2	-174.7	171	72.4	121.9	-5.1	111.3	T66 D67 A68 E72 Q73 E74	T66-R70 PolarHBondContact O-N 2.86Å; D67-R70 WeakPolarHBondContact O-CB 3.46Å; D67-R70 PolarHBondContact O-N 3.14Å; D67-R70 IonicContact OD2-CZ 3.21Å; D67-R70 IonicContact OD2-NE 2.92Å; D67-R70 PolarHBondContact OD2-NE 3.21Å; D67-R70 IonicContact OD2-NH2 2.68Å; D67-R70 PolarHBondContact OD2-NH2 2.78Å; A68-R70 PolarHBondContact O-N 3.12Å; R70-E72 VanDerWaalsContact C-N 3.35Å; R70-E72 PolarHBondContact O-N 2.82Å; R70-Q73 PolarHBondContact O-N 3.26Å; R70-E74 PolarHBondContact O-N 3.28Å; R70-E74 VanDerWaalsContact O-N 3.12Å
71	R	79.3	Confident	72.3	Confident	169 Å²	169	116.2 Å²	116.2	64%	0.638	55%	0.554	S	S	*	*	H	α-helix	trans	-62.4	-39.5	177.1	-68.1	170.7	-164.5	-145.8	4.5	112.3	D67 A68 E74 S75	D67-R71 VanDerWaalsContact O-CG 3.3Å; D67-R71 WeakPolarHBondContact O-CG 3.49Å; D67-R71 PolarHBondContact O-N 3.01Å; D67-R71 IonicContact OD1-CZ 3.19Å; D67-R71 IonicContact OD1-NE 3.65Å; D67-R71 PolarHBondContact OD1-NE 2.95Å; D67-R71 IonicContact OD1-NH2 2.73Å; D67-R71 PolarHBondContact OD1-NH2 2.99Å; A68-R71 PolarHBondContact O-N 2.8Å; A68-R71 VanDerWaalsContact O-N 3.13Å; R71-E74 PolarHBondContact O-N 3.48Å; R71-S75 PolarHBondContact O-N 3.4Å
72	E	76.1	Confident	70.6	Confident	121 Å²	121	115.5 Å²	115.5	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-63.4	-46.7	176.9	-172.6	-174.4	-169.2	0	0	112	A68 R70 E74 S75 L76	A68-E72 PolarHBondContact O-N 2.95Å; R70-E72 VanDerWaalsContact C-N 3.35Å; R70-E72 PolarHBondContact O-N 2.82Å; E72-E74 PolarHBondContact O-N 2.92Å; E72-S75 PolarHBondContact O-N 3.39Å; E72-S75 PolarHBondContact O-OG 3.39Å; E72-L76 HydrophobicContact CG-CD1 4.2Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 WeakPolarHBondContact O-CG 3.46Å; E72-L76 PolarHBondContact O-N 3.45Å
73	Q	71.4	Confident	68.7	Low	92 Å²	92	120.3 Å²	120.3	43%	0.43	57%	0.573	S	S	.	*	H	α-helix	trans	-63.5	-32.9	175.8	-161	-164.1	84.4	0	0	111.7	A69 R70 K77	A69-Q73 PolarHBondContact O-N 3.07Å; R70-Q73 PolarHBondContact O-N 3.26Å; Q73-K77 HydrophobicContact CG-CD 4.5Å; Q73-K77 WeakPolarHBondContact O-CB 3.3Å; Q73-K77 WeakPolarHBondContact O-CD 3.35Å; Q73-K77 VanDerWaalsContact O-CG 3.27Å; Q73-K77 WeakPolarHBondContact O-CG 3.27Å; Q73-K77 PolarHBondContact O-N 2.69Å
74	E	73.7	Confident	67.3	Low	91 Å²	91	118.5 Å²	118.5	43%	0.425	58%	0.578	S	S	.	*	H	α-helix	trans	-71.8	-35.9	176.2	-150.7	-171.1	125.7	0	0	112.7	R70 R71 E72 K78	R70-E74 PolarHBondContact O-N 3.28Å; R70-E74 VanDerWaalsContact O-N 3.12Å; R71-E74 PolarHBondContact O-N 3.48Å; E72-E74 PolarHBondContact O-N 2.92Å; E74-K78 WeakPolarHBondContact O-CD 3.47Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.45Å; E74-K78 PolarHBondContact O-N 3.31Å; E74-K78 VanDerWaalsContact O-N 3.1Å; E74-K78 VanDerWaalsContact OE1-CE 3.3Å; E74-K78 WeakPolarHBondContact OE1-CE 3.45Å; E74-K78 IonicContact OE1-NZ 2.62Å; E74-K78 PolarHBondContact OE1-NZ 3.44Å
75	S	71.2	Confident	65.6	Low	67 Å²	67	115.4 Å²	115.4	47%	0.469	58%	0.578	S	S	.	*	H	α-helix	trans	-71	-39.7	175	74.5	0	0	0	0	111.8	R71 E72 K78 K79	R71-S75 PolarHBondContact O-N 3.4Å; E72-S75 PolarHBondContact O-N 3.39Å; E72-S75 PolarHBondContact O-OG 3.39Å; S75-K78 PolarHBondContact O-N 3.48Å; S75-K79 PolarHBondContact O-N 2.22Å
76	L	67.5	Low	64.1	Low	93 Å²	93	120 Å²	120	49%	0.487	60%	0.604	S	S	.	*	H	α-helix	trans	-60.1	-45.7	171.7	-74.5	165.5	0	0	0	111.7	E72 K78 K79 I80	E72-L76 HydrophobicContact CG-CD1 4.2Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 WeakPolarHBondContact O-CG 3.46Å; E72-L76 PolarHBondContact O-N 3.45Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 2.67Å; L76-K79 PolarHBondContact O-N 2.78Å; L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 2.54Å
77	K	64.6	Low	62.1	Low	127 Å²	127	122.5 Å²	122.5	55%	0.552	62%	0.619	S	S	*	*	H	α-helix	trans	-59.7	-35.2	174.3	-79.4	168	170.2	172.1	0	113	Q73 K79	Q73-K77 HydrophobicContact CG-CD 4.5Å; Q73-K77 WeakPolarHBondContact O-CB 3.3Å; Q73-K77 WeakPolarHBondContact O-CD 3.35Å; Q73-K77 VanDerWaalsContact O-CG 3.27Å; Q73-K77 WeakPolarHBondContact O-CG 3.27Å; Q73-K77 PolarHBondContact O-N 2.69Å; K77-K79 VanDerWaalsContact C-N 3.35Å
78	K	62.2	Low	60.7	Low	137 Å²	137	128.1 Å²	128.1	60%	0.596	65%	0.648	S	S	*	*	H	α-helix	trans	-73.9	-23.1	174.8	-71.1	166.3	-172.3	172.1	0	113.2	E74 S75 L76	E74-K78 WeakPolarHBondContact O-CD 3.47Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.45Å; E74-K78 PolarHBondContact O-N 3.31Å; E74-K78 VanDerWaalsContact O-N 3.1Å; E74-K78 VanDerWaalsContact OE1-CE 3.3Å; E74-K78 WeakPolarHBondContact OE1-CE 3.45Å; E74-K78 IonicContact OE1-NZ 2.62Å; E74-K78 PolarHBondContact OE1-NZ 3.44Å; S75-K78 PolarHBondContact O-N 3.48Å; L76-K78 VanDerWaalsContact C-N 3.27Å; L76-K78 PolarHBondContact O-N 2.67Å
79	K	60.3	Low	58.9	Low	186 Å²	186	130.1 Å²	130.1	81%	0.809	66%	0.658	S	S	*	*	H	α-helix	trans	-87.3	-8.5	179.7	-141.3	172.8	-173.6	179.5	0	114.4	S75 L76 K77	S75-K79 PolarHBondContact O-N 2.22Å; L76-K79 PolarHBondContact O-N 2.78Å; K77-K79 VanDerWaalsContact C-N 3.35Å
80	I	57	Low	57.3	Low	140 Å²	140	134.3 Å²	134.3	72%	0.718	69%	0.686	S	S	*	*	S	Bend	trans	-99.5	-8.3	179.1	-67.3	168	0	0	0	112.2	L76 P82	L76-I80 WeakPolarHBondContact O-CG1 3.38Å; L76-I80 PolarHBondContact O-N 2.54Å; I80-P82 WeakPolarHBondContact O-CD 2.61Å
81	Q	50.3	Low	56	Low	148 Å²	148	131.4 Å²	131.4	69%	0.692	69%	0.689	S	S	*	*			trans	-69.1	120.5	176.5	-71.7	-68.3	-12.1	0	0	111.5
82	P	44.8	Very low	54.6	Low	100 Å²	100	130.1 Å²	130.1	65%	0.649	70%	0.7	S	S	*	*			trans	-70.7	152.9	173.2	30.9	-34.4	0	0	0	110.9	I80 L84	I80-P82 WeakPolarHBondContact O-CD 2.61Å; P82-L84 PolarHBondContact O-N 3.19Å
83	K	41.3	Very low	53.5	Low	207 Å²	207	129.1 Å²	129.1	90%	0.9	71%	0.706	S	S	*	*			trans	-63.8	97.1	178.1	-77	-179.4	174.6	176.6	0	111.7
84	L	45.4	Very low	52.3	Low	165 Å²	165	136.2 Å²	136.2	86%	0.864	73%	0.729	S	S	*	*			trans	-128.9	101.5	158.1	-72.9	177.8	0	0	0	109.2	P82	P82-L84 PolarHBondContact O-N 3.19Å
85	S	36.9	Very low	50.9	Low	115 Å²	115	135.4 Å²	135.4	80%	0.804	75%	0.745	S	S	*	*			trans	-70	134.4	176.3	-47.7	0	0	0	0	110.8
86	L	44.7	Very low	49.5	Very low	176 Å²	176	139.9 Å²	139.9	92%	0.921	76%	0.764	S	S	*	*			trans	-151.5	132.7	146.8	-138.1	72.4	0	0	0	110.5
87	T	39.8	Very low	48.5	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	78%	0.777	S	S	*	*			trans	-92.7	137.2	-178.1	49.3	0	0	0	0	111.2
88	L	49.3	Very low	47.3	Very low	180 Å²	180	140.8 Å²	140.8	94%	0.942	79%	0.788	S	S	*	*			trans	-146.8	147.2	153.6	-133.1	94.9	0	0	0	109.9
89	S	44.2	Very low	46.4	Very low	112 Å²	112	140.6 Å²	140.6	78%	0.783	80%	0.799	S	S	*	*			trans	-127.1	125.1	-160.8	-54.8	0	0	0	0	113.5
90	S	45.8	Very low	46.4	Very low	116 Å²	116	137.5 Å²	137.5	81%	0.811	80%	0.797	S	S	*	*			trans	-172.9	150.3	156.4	47.9	0	0	0	0	110
91	S	51.1	Low	46	Very low	94 Å²	94	136.5 Å²	136.5	66%	0.657	80%	0.8	S	S	*	*			cis	165.7	120	-38.7	47.4	0	0	0	0	106.4
92	V	49.3	Very low	45.7	Very low	142 Å²	142	139 Å²	139	86%	0.861	80%	0.803	S	S	*	*			trans	62.9	157.3	169.6	-45.8	0	0	0	0	116.4
93	S	52.9	Low	46	Very low	101 Å²	101	143.3 Å²	143.3	71%	0.706	82%	0.815	S	S	*	*			cis	-137.9	162.4	14.3	-81.1	0	0	0	0	115.1
94	R	45.6	Very low	46.5	Very low	241 Å²	241	137.2 Å²	137.2	91%	0.909	80%	0.798	S	S	*	*			trans	-62.3	158	-177.7	-59.9	158.6	-76	-148.3	-4.4	116
95	G	45.7	Very low	46.7	Very low	74 Å²	74	134.8 Å²	134.8	76%	0.763	80%	0.795	S	S	*	*			trans	-167.3	126.2	156.9	0	0	0	0	0	111.3
96	N	41.1	Very low	47.1	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	79%	0.792	S	S	*	*			trans	-152.6	160.1	-168.4	-134.2	83.1	0	0	0	112.3
97	V	45.7	Very low	47.3	Very low	125 Å²	125	129.7 Å²	129.7	76%	0.758	79%	0.785	S	S	*	*			trans	98.7	116.7	155.3	105.6	0	0	0	0	121.2
98	S	40.5	Very low	47.9	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	79%	0.785	S	S	*	*			trans	56.6	141.5	142.4	-59	0	0	0	0	127.3
99	T	44	Very low	48.3	Very low	133 Å²	133	127.9 Å²	127.9	82%	0.816	78%	0.776	S	S	*	*			trans	-102.2	-175.6	165.1	47.4	0	0	0	0	110.8
100	P	59.1	Low	49	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	78%	0.778	S	S	*	*			cis	-111.7	-108.5	0.6	27.9	-2.9	0	0	0	113.5
101	P	48.3	Very low	49.7	Very low	120 Å²	120	129 Å²	129	78%	0.779	78%	0.777	S	S	*	*			cis	-114	-157.2	4.2	44.7	-31.7	0	0	0	114.7
102	R	44.8	Very low	49.5	Very low	200 Å²	200	130.3 Å²	130.3	76%	0.755	78%	0.781	S	S	*	*			trans	-158.4	147.7	-175.3	-178.1	178.1	-178.6	-106.2	4	115.2
103	H	50.7	Low	49.8	Very low	191 Å²	191	129.7 Å²	129.7	88%	0.884	78%	0.778	S	S	*	*			trans	-140.2	162.5	165.4	-72.4	-74.6	0	0	0	112.7
104	S	51.4	Low	49.9	Very low	79 Å²	79	130.6 Å²	130.6	55%	0.552	78%	0.781	S	S	*	*			trans	-158.6	167	-154.7	-126.3	0	0	0	0	111.8
105	S	50	Low	50.5	Low	113 Å²	113	124.6 Å²	124.6	79%	0.79	77%	0.773	S	S	*	*			cis	176.1	152.6	-26.2	49.6	0	0	0	0	111.5
106	G	45.3	Very low	50.7	Low	72 Å²	72	128 Å²	128	74%	0.742	77%	0.773	S	S	*	*			trans	-147.4	144.6	166.2	0	0	0	0	0	111.2
107	S	48.5	Very low	51.3	Low	112 Å²	112	126.3 Å²	126.3	78%	0.783	77%	0.768	S	S	*	*				86.2	142.7	51	-147.7	0	0	0	0	112
108	L	53.5	Low	51.8	Low	145 Å²	145	125.5 Å²	125.5	76%	0.759	77%	0.766	S	S	*	*			cis	-149.5	149.2	36.3	-74.7	154.1	0	0	0	115.6
109	T	56.8	Low	52.2	Low	121 Å²	121	125.6 Å²	125.6	74%	0.742	77%	0.766	S	S	*	*			trans	43.5	119.3	140.8	64.3	0	0	0	0	124.8
110	P	58.6	Low	52.7	Low	129 Å²	129	124 Å²	124	84%	0.838	76%	0.761	S	S	*	*			trans	-140.7	131.2	163.5	37.3	-19.4	0	0	0	118.3
111	P	61.3	Low	52.7	Low	121 Å²	121	122.7 Å²	122.7	79%	0.786	75%	0.754	S	S	*	*			trans	-124.1	-173.3	168	39.6	-24.5	0	0	0	113.2
112	V	46.2	Very low	52.7	Low	123 Å²	123	125.5 Å²	125.5	75%	0.745	76%	0.755	S	S	*	*			cis	-143.9	124.4	15.2	-176.7	0	0	0	0	113.4
113	T	55.8	Low	53.2	Low	128 Å²	128	127.2 Å²	127.2	79%	0.785	76%	0.761	S	S	*	*			trans	19.5	125.2	135.6	-18.9	0	0	0	0	125.4
114	P	55.5	Low	53.4	Low	120 Å²	120	123.5 Å²	123.5	78%	0.779	76%	0.757	S	S	*	*			trans	-131.3	146.8	161.6	38.2	-24.2	0	0	0	116.7
115	P	57.7	Low	53.2	Low	115 Å²	115	125 Å²	125	75%	0.747	77%	0.767	S	S	*	*			trans	-138.6	-178.2	-177.4	44.3	-28.6	0	0	0	119.3
116	I	50.2	Low	53.4	Low	147 Å²	147	126.5 Å²	126.5	75%	0.754	77%	0.772	S	S	*	*			trans	77.9	115.3	164.7	-52.6	173.9	0	0	0	117.3
117	T	53.1	Low	53.6	Low	124 Å²	124	128.8 Å²	128.8	76%	0.761	77%	0.773	S	S	*	*			cis	99.7	168.3	23.5	74.8	0	0	0	0	115.6
118	P	56.9	Low	53.9	Low	109 Å²	109	130.5 Å²	130.5	71%	0.708	78%	0.779	S	S	*	*				-135.4	-160.7	-66.2	42.2	-26	0	0	0	114.4
119	S	49.1	Very low	53.7	Low	115 Å²	115	126.8 Å²	126.8	80%	0.804	78%	0.776	S	S	*	*			trans	112	144.2	162.8	-55.7	0	0	0	0	116.3
120	S	53.1	Low	53.9	Low	100 Å²	100	126 Å²	126	70%	0.699	78%	0.775	S	S	*	*			cis	-160.1	166.5	-10.5	55.3	0	0	0	0	112
121	S	59	Low	53.2	Low	92 Å²	92	126.5 Å²	126.5	64%	0.643	77%	0.767	S	S	*	*			trans	28.8	156.5	148.3	-49.8	0	0	0	0	122.4
122	F	49.4	Very low	53.2	Low	180 Å²	180	130 Å²	130	79%	0.789	77%	0.765	S	S	*	*			cis	-149.5	136.2	26.8	-65.3	-92.3	0	0	0	108.9
123	R	54.6	Low	53.9	Low	236 Å²	236	131.4 Å²	131.4	89%	0.891	77%	0.769	S	S	*	*				77.2	153	81.4	-84.5	-168.1	171.4	-141.9	-2.2	117.8
124	S	55	Low	53.8	Low	113 Å²	113	134 Å²	134	79%	0.79	77%	0.772	S	S	*	*			trans	79.4	124.3	-179.4	-52	0	0	0	0	116.1
125	S	48.2	Very low	54.1	Low	111 Å²	111	137.3 Å²	137.3	78%	0.776	78%	0.777	S	S	*	*			cis	99.8	108.7	6.8	-49.1	0	0	0	0	117.6
126	T	53.7	Low	54.2	Low	144 Å²	144	141.2 Å²	141.2	88%	0.883	79%	0.785	S	S	*	*			trans	-179	149.4	131.3	21.3	0	0	0	0	111.8
127	P	50.1	Low	54.7	Low	119 Å²	119	138.9 Å²	138.9	77%	0.773	78%	0.778	S	S	*	*			trans	-117.9	162.8	179.7	41.6	-32	0	0	0	115.4
128	T	53.7	Low	55.1	Low	148 Å²	148	139.5 Å²	139.5	91%	0.908	78%	0.776	S	S	*	*			trans	-163.3	147.5	167.8	-42.3	0	0	0	0	108.8
129	G	49.3	Very low	55.4	Low	67 Å²	67	143.7 Å²	143.7	69%	0.691	78%	0.78	S	S	*	*			cis	146.8	90.5	-11.1	0	0	0	0	0	114
130	S	61.1	Low	56.3	Low	104 Å²	104	146.2 Å²	146.2	73%	0.727	78%	0.779	S	S	*	*			trans	178.1	117.2	165.6	53.1	0	0	0	0	107.4
131	E	44.7	Very low	56.3	Low	141 Å²	141	150.1 Å²	150.1	66%	0.659	79%	0.786	S	S	*	*			cis	90.5	143.3	44.3	92.2	175.2	164.5	0	0	114.1
132	Y	60.4	Low	56.5	Low	194 Å²	194	150.8 Å²	150.8	76%	0.761	79%	0.79	S	S	*	*			trans	67.9	142.3	-168.9	-37.8	-61.5	0	0	0	115.4
133	D	61.5	Low	56.6	Low	153 Å²	153	149.2 Å²	149.2	82%	0.818	79%	0.79	S	S	*	*			cis	-147.2	168.5	-7.1	-151.3	16.1	0	0	0	110.2
134	E	54.7	Low	57	Low	181 Å²	181	141.7 Å²	141.7	85%	0.846	77%	0.774	S	S	*	*			trans	-102.5	132.4	-169.1	-57.7	-176.5	129.9	0	0	113.7
135	E	60.5	Low	56.9	Low	190 Å²	190	143.4 Å²	143.4	89%	0.888	77%	0.774	S	S	*	*			trans	-133.7	127.4	171.1	-75.6	-78.2	-168.6	0	0	109.5
136	E	59.3	Low	57.3	Low	198 Å²	198	144.5 Å²	144.5	93%	0.925	77%	0.767	S	S	*	*			trans	-88.9	116.6	-164.3	-172.5	178.6	164.1	0	0	111.7
137	V	60.6	Low	57.2	Low	98 Å²	98	143.5 Å²	143.5	59%	0.594	77%	0.766	S	S	*	*			trans	-130.5	127.9	170.3	-71.5	0	0	0	0	111.5	Y139	V137-Y139 HydrophobicContact CG2-CE2 4.07Å; V137-Y139 VanDerWaalsContact O-CD2 3.31Å; V137-Y139 WeakPolarHBondContact O-CD2 3.32Å; V137-Y139 WeakPolarHBondContact O-CE2 3.38Å
138	D	63.5	Low	57.5	Low	136 Å²	136	148 Å²	148	73%	0.727	77%	0.768	S	S	*	*			trans	-71.4	135.1	-177.4	-172.6	61.4	0	0	0	111.7
139	Y	62.3	Low	57.7	Low	198 Å²	198	147.6 Å²	147.6	78%	0.776	77%	0.765	S	S	*	*			trans	-118.5	78	-176.7	-72.9	-73.5	0	0	0	110.5	V137 E141	V137-Y139 HydrophobicContact CG2-CE2 4.07Å; V137-Y139 VanDerWaalsContact O-CD2 3.31Å; V137-Y139 WeakPolarHBondContact O-CD2 3.32Å; V137-Y139 WeakPolarHBondContact O-CE2 3.38Å; Y139-E141 PolarHBondContact O-N 2.95Å
140	E	67.7	Low	58.1	Low	168 Å²	168	150.1 Å²	150.1	79%	0.785	77%	0.767	S	S	*	*			trans	-51.8	124.5	174.5	-70.3	-81.3	-143.9	0	0	111.8	S142	E140-S142 PolarHBondContact O-N 3.27Å
141	E	54	Low	57.5	Low	181 Å²	181	153.9 Å²	153.9	85%	0.846	77%	0.773	S	S	*	*			trans	-80	107.4	-170.7	-166.7	169	141.9	0	0	111.1	Y139	Y139-E141 PolarHBondContact O-N 2.95Å
142	S	62.6	Low	58	Low	106 Å²	106	152 Å²	152	74%	0.741	78%	0.776	S	S	*	*			trans	-109.9	72.3	178.7	-179.9	0	0	0	0	111.2	E140 S144	E140-S142 PolarHBondContact O-N 3.27Å; S142-S144 PolarHBondContact O-N 3.37Å
143	D	50.5	Low	57.9	Low	147 Å²	147	148.3 Å²	148.3	79%	0.786	79%	0.785	S	S	*	*			trans	-58.4	122.8	168.9	-152.9	9.8	0	0	0	109.7
144	S	64.2	Low	57.8	Low	79 Å²	79	147 Å²	147	55%	0.552	78%	0.777	S	S	*	*			trans	-153.9	84.7	-173.9	-170.7	0	0	0	0	109.8	S142 E146	S142-S144 PolarHBondContact O-N 3.37Å; S144-E146 PolarHBondContact O-N 2.87Å
145	D	52.6	Low	58.5	Low	148 Å²	148	140.8 Å²	140.8	79%	0.791	75%	0.753	S	S	*	*			trans	-79	52.5	-177.2	63.6	-37.6	0	0	0	112.6	S147	D145-S147 PolarHBondContact O-N 2.89Å
146	E	56.6	Low	58.6	Low	135 Å²	135	135.9 Å²	135.9	63%	0.631	74%	0.74	S	S	*	*			trans	-50.4	106.4	-180	-77.5	-76.7	104.4	0	0	111.5	S144 W148	S144-E146 PolarHBondContact O-N 2.87Å; E146-W148 VanDerWaalsContact O-CD1 3.25Å; E146-W148 PolarHBondContact O-N 3.19Å
147	S	52.5	Low	58.8	Low	122 Å²	122	132.8 Å²	132.8	85%	0.853	73%	0.725	S	S	*	*			trans	-81	76.2	-161.9	-158.7	0	0	0	0	113.3	D145 T149	D145-S147 PolarHBondContact O-N 2.89Å; S147-T149 PolarHBondContact O-N 3.46Å
148	W	54.6	Low	59	Low	215 Å²	215	130.7 Å²	130.7	81%	0.814	72%	0.718	S	S	*	*			trans	-91.2	75.2	179.5	-68.7	90.1	0	0	0	113.4	E146	E146-W148 VanDerWaalsContact O-CD1 3.25Å; E146-W148 PolarHBondContact O-N 3.19Å
149	T	59.4	Low	59	Low	139 Å²	139	128 Å²	128	85%	0.853	70%	0.703	S	S	*	*				-175.9	122.3	129.7	19.3	0	0	0	0	113.3	S147 E151	S147-T149 PolarHBondContact O-N 3.46Å; T149-E151 PolarHBondContact O-N 2.93Å
150	T	57.1	Low	59.1	Low	120 Å²	120	124.2 Å²	124.2	74%	0.736	70%	0.696	S	S	*	*			trans	-74	111.2	175.7	48.3	0	0	0	0	112.7	S152	T150-S152 PolarHBondContact O-N 2.93Å
151	E	47.6	Very low	58.8	Low	183 Å²	183	119.3 Å²	119.3	86%	0.855	68%	0.68	S	S	*	*	S	Bend	trans	36.5	58.6	137.4	56.5	169.1	162.7	0	0	118.6	T149	T149-E151 PolarHBondContact O-N 2.93Å
152	S	56.2	Low	59.1	Low	102 Å²	102	115.2 Å²	115.2	71%	0.713	67%	0.672	S	S	*	*			trans	-154	68.3	167.6	-86.8	0	0	0	0	115.8	T150 I154	T150-S152 PolarHBondContact O-N 2.93Å; S152-I154 VanDerWaalsContact C-N 3.29Å; S152-I154 PolarHBondContact O-N 2.85Å
153	A	58.5	Low	58.9	Low	115 Å²	115	117.8 Å²	117.8	95%	0.95	67%	0.674	S	S	*	*			trans	52.1	21.7	142.5	0	0	0	0	0	120.3
154	I	58.7	Low	59.1	Low	127 Å²	127	115.1 Å²	115.1	65%	0.651	67%	0.666	S	S	*	*			trans	-98.6	108	162.6	-36.3	178.6	0	0	0	107.1	S152 S156 I159	S152-I154 VanDerWaalsContact C-N 3.29Å; S152-I154 PolarHBondContact O-N 2.85Å; I154-S156 PolarHBondContact O-N 3.14Å; I154-I159 HydrophobicContact CB-CD1 4.23Å; I154-I159 HydrophobicContact CG2-CD1 3.82Å; I154-I159 HydrophobicContact CG2-CG1 3.7Å
155	S	70.1	Confident	58.5	Low	50 Å²	50	118.5 Å²	118.5	35%	0.35	67%	0.674	S	S	.	*			trans	-65.8	134.3	-179.3	-167	0	0	0	0	110.8	E157 A158 I159	S155-E157 VanDerWaalsContact CB-OE1 3.29Å; S155-E157 WeakPolarHBondContact CB-OE1 3.12Å; S155-E157 PolarHBondContact O-N 2.98Å; S155-E157 WeakPolarHBondContact OG-CG 3.41Å; S155-E157 PolarHBondContact OG-OE1 3.35Å; S155-A158 WeakPolarHBondContact O-CB 3.15Å; S155-A158 PolarHBondContact O-N 3.05Å; S155-I159 PolarHBondContact O-N 3.44Å
156	S	62.6	Low	58.6	Low	87 Å²	87	118.8 Å²	118.8	61%	0.608	68%	0.676	S	S	*	*	H	α-helix	trans	-59.9	-33.8	-179.9	48.3	0	0	0	0	111.8	I154 A158 I159 L160	I154-S156 PolarHBondContact O-N 3.14Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 2.99Å; S156-I159 PolarHBondContact O-N 3.06Å; S156-L160 WeakPolarHBondContact O-CB 3.25Å; S156-L160 WeakPolarHBondContact O-CG 3.47Å; S156-L160 PolarHBondContact O-N 3.47Å
157	E	62.5	Low	58.1	Low	132 Å²	132	116.4 Å²	116.4	62%	0.617	69%	0.688	S	S	*	*	H	α-helix	trans	-62.4	-31	173.4	77.4	-145.8	149.5	0	0	112.9	S155 S161	S155-E157 VanDerWaalsContact CB-OE1 3.29Å; S155-E157 WeakPolarHBondContact CB-OE1 3.12Å; S155-E157 PolarHBondContact O-N 2.98Å; S155-E157 WeakPolarHBondContact OG-CG 3.41Å; S155-E157 PolarHBondContact OG-OE1 3.35Å; E157-S161 WeakPolarHBondContact O-CB 3.29Å; E157-S161 PolarHBondContact O-N 3.26Å; E157-S161 PolarHBondContact O-OG 3.3Å
158	A	64.8	Low	58	Low	54 Å²	54	112.8 Å²	112.8	45%	0.446	67%	0.669	S	S	.	*	H	α-helix	trans	-79.9	-36	178.8	0	0	0	0	0	111.6	S155 S156 S162	S155-A158 WeakPolarHBondContact O-CB 3.15Å; S155-A158 PolarHBondContact O-N 3.05Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 2.99Å; A158-S162 VanDerWaalsContact O-CB 3.3Å; A158-S162 WeakPolarHBondContact O-CB 3.42Å; A158-S162 PolarHBondContact O-N 3.1Å
159	I	63.6	Low	58.2	Low	79 Å²	79	107.4 Å²	107.4	41%	0.405	65%	0.653	S	S	.	*	H	α-helix	trans	-64.7	-48.9	171.8	-60.5	176.9	0	0	0	109.7	I154 S155 S156 S162 M163	I154-I159 HydrophobicContact CB-CD1 4.23Å; I154-I159 HydrophobicContact CG2-CD1 3.82Å; I154-I159 HydrophobicContact CG2-CG1 3.7Å; S155-I159 PolarHBondContact O-N 3.44Å; S156-I159 PolarHBondContact O-N 3.06Å; I159-S162 WeakPolarHBondContact O-CB 3.39Å; I159-S162 PolarHBondContact O-N 2.9Å; I159-M163 HydrophobicContact CG2-CE 4.2Å; I159-M163 PolarHBondContact O-N 3.34Å
160	L	64.3	Low	58.4	Low	120 Å²	120	108.4 Å²	108.4	63%	0.628	65%	0.649	S	S	*	*	H	α-helix	trans	-60.4	-48	176.2	-75.3	162.3	0	0	0	111.5	S156 S162 M163 C164	S156-L160 WeakPolarHBondContact O-CB 3.25Å; S156-L160 WeakPolarHBondContact O-CG 3.47Å; S156-L160 PolarHBondContact O-N 3.47Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 3.48Å; L160-M163 PolarHBondContact O-N 2.93Å; L160-M163 VanDerWaalsContact O-N 3.09Å; L160-C164 PolarHBondContact O-SG 3.28Å; L160-C164 VanDerWaalsContact O-SG 3.34Å
161	S	61.9	Low	59.1	Low	64 Å²	64	106.5 Å²	106.5	45%	0.448	63%	0.63	S	S	.	*	H	α-helix	trans	-61.5	-33.4	178.1	-63.7	0	0	0	0	113.2	E157 M163 C164	E157-S161 WeakPolarHBondContact O-CB 3.29Å; E157-S161 PolarHBondContact O-N 3.26Å; E157-S161 PolarHBondContact O-OG 3.3Å; S161-M163 PolarHBondContact O-N 3.01Å; S161-C164 PolarHBondContact O-N 3.02Å
162	S	59.6	Low	60.8	Low	96 Å²	96	102.4 Å²	102.4	67%	0.671	62%	0.619	S	S	*	*	H	α-helix	trans	-63.3	-29.7	176.8	-171.5	0	0	0	0	112.6	A158 I159 L160	A158-S162 VanDerWaalsContact O-CB 3.3Å; A158-S162 WeakPolarHBondContact O-CB 3.42Å; A158-S162 PolarHBondContact O-N 3.1Å; I159-S162 WeakPolarHBondContact O-CB 3.39Å; I159-S162 PolarHBondContact O-N 2.9Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 3.48Å
163	M	59.9	Low	62.4	Low	160 Å²	160	101 Å²	101	79%	0.788	60%	0.6	S	S	*	*	H	α-helix	trans	-86.1	-10.5	-179.3	-58.3	-163.5	-179.2	0	0	114.1	I159 L160 S161	I159-M163 HydrophobicContact CG2-CE 4.2Å; I159-M163 PolarHBondContact O-N 3.34Å; L160-M163 PolarHBondContact O-N 2.93Å; L160-M163 VanDerWaalsContact O-N 3.09Å; S161-M163 PolarHBondContact O-N 3.01Å
164	C	53.4	Low	63.9	Low	91 Å²	91	98.1 Å²	98.1	62%	0.615	58%	0.577	S	S	*	*			trans	-94.9	-2	-172.8	-66.2	0	0	0	0	115.4	L160 S161 N166	L160-C164 PolarHBondContact O-SG 3.28Å; L160-C164 VanDerWaalsContact O-SG 3.34Å; S161-C164 PolarHBondContact O-N 3.02Å; C164-N166 VanDerWaalsContact C-N 3.3Å; C164-N166 PolarHBondContact O-N 2.66Å
165	M	52.8	Low	65.4	Low	149 Å²	149	92.8 Å²	92.8	73%	0.734	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	46.9	-167.9	-63	-60.8	162.3	0	0	115.1
166	N	54.3	Low	66.2	Low	154 Å²	154	96 Å²	96	82%	0.824	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.4	46.4	163.3	-122.1	-23.9	0	0	0	113.2	C164 G168	C164-N166 VanDerWaalsContact C-N 3.3Å; C164-N166 PolarHBondContact O-N 2.66Å; N166-G168 VanDerWaalsContact C-N 3.27Å; N166-G168 PolarHBondContact O-N 3.32Å
167	G	45.6	Very low	67.1	Low	86 Å²	86	93.3 Å²	93.3	89%	0.887	55%	0.55	S	S	*	.			trans	-66.1	77	174.9	0	0	0	0	0	113.3
168	G	51.6	Low	68	Low	45 Å²	45	93.1 Å²	93.1	46%	0.464	56%	0.56	S	S	.	*	S	Bend	trans	-157.1	83.6	-175.6	0	0	0	0	0	112.4	N166	N166-G168 VanDerWaalsContact C-N 3.27Å; N166-G168 PolarHBondContact O-N 3.32Å
169	E	58.4	Low	68.8	Low	102 Å²	102	94.2 Å²	94.2	48%	0.477	58%	0.577	S	S	.	*			trans	43.9	89.3	-177.5	53.4	152.5	-151.5	0	0	115.6	K171 R183	E169-K171 HydrophobicContact CB-CD 4.41Å; E169-K171 PolarHBondContact O-N 3.28Å; E169-K171 WeakPolarHBondContact OE2-CE 3.2Å; E169-K171 IonicContact OE2-NZ 2.66Å; E169-K171 PolarHBondContact OE2-NZ 3.05Å; E169-R183 PolarHBondContact O-NH2 2.86Å; E169-R183 WeakPolarHBondContact OE1-CD 3.38Å; E169-R183 IonicContact OE1-CZ 3.89Å; E169-R183 IonicContact OE1-NE 2.79Å; E169-R183 IonicContact OE1-NH1 2.76Å; E169-R183 PolarHBondContact OE1-NH1 3.49Å
170	E	63.3	Low	69.8	Low	161 Å²	161	92.1 Å²	92.1	75%	0.752	57%	0.569	S	S	*	*			trans	-62.2	75.1	173.9	-67	167.4	-106	0	0	113.1
171	K	72	Confident	70.9	Confident	79 Å²	79	96.1 Å²	96.1	34%	0.343	58%	0.581	S	S	.	*			trans	-125.9	79.2	173.2	-62.2	168.3	-167.7	160.3	0	106.7	E169 F173 R183 Y184	E169-K171 HydrophobicContact CB-CD 4.41Å; E169-K171 PolarHBondContact O-N 3.28Å; E169-K171 WeakPolarHBondContact OE2-CE 3.2Å; E169-K171 IonicContact OE2-NZ 2.66Å; E169-K171 PolarHBondContact OE2-NZ 3.05Å; K171-F173 PolarHBondContact O-N 3.37Å; K171-R183 HydrophobicContact CB-CB 3.52Å; K171-R183 HydrophobicContact CD-CB 4.03Å; K171-R183 HydrophobicContact CG-CB 4.41Å; K171-R183 PolarHBondContact O-NE 3.24Å; K171-R183 PolarHBondContact O-NH2 2.95Å; K171-Y184 CarbonylContact C-O 3.51Å; K171-Y184 VanDerWaalsContact C-O 3.32Å; K171-Y184 VanDerWaalsContact CA-O 3.23Å; K171-Y184 WeakPolarHBondContact CA-O 3.47Å
172	P	83.1	Confident	72.1	Confident	97 Å²	97	98.7 Å²	98.7	63%	0.63	58%	0.584	S	S	*	*			trans	-61.8	-30.5	-174.1	-22.4	34.1	0	0	0	112	A174	P172-A174 PolarHBondContact O-N 2.59Å
173	F	88.5	Confident	73.6	Confident	73 Å²	73	98.6 Å²	98.6	32%	0.32	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	78.9	-174.1	-53	-76	0	0	0	110.9	K171 R183 Y184 N186 V187 I190	K171-F173 PolarHBondContact O-N 3.37Å; F173-R183 CarbonylContact O-C 3.56Å; F173-R183 WeakPolarHBondContact O-CA 3.25Å; F173-Y184 WeakPolarHBondContact CD2-O 3.23Å; F173-Y184 PolarHBondContact N-O 2.81Å; F173-Y184 PolarHBondContact O-N 3.19Å; F173-N186 VanDerWaalsContact CD2-C 3.43Å; F173-V187 HydrophobicContact CD1-CG2 4.2Å; F173-V187 HydrophobicContact CE1-CG2 3.54Å; F173-V187 HydrophobicContact CE2-CG2 4.27Å; F173-V187 HydrophobicContact CZ-CG2 3.58Å; F173-I190 HydrophobicContact CB-CB 3.96Å; F173-I190 HydrophobicContact CB-CD1 4.04Å; F173-I190 HydrophobicContact CB-CG2 3.7Å; F173-I190 HydrophobicContact CD1-CG2 4.33Å; F173-I190 HydrophobicContact CG-CG2 4.15Å
174	A	90.3	Very high	75.2	Confident	55 Å²	55	93.6 Å²	93.6	46%	0.455	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	144.1	169.3	0	0	0	0	0	111.5	P172 R183 I190	P172-A174 PolarHBondContact O-N 2.59Å; A174-R183 HydrophobicContact CB-CG 4.04Å; A174-I190 WeakPolarHBondContact O-CD1 3.24Å
175	C	90.3	Very high	76.8	Confident	15 Å²	15	97.2 Å²	97.2	10%	0.101	55%	0.547	C	S	.	.			trans	-70.9	129.8	176.1	-173.1	0	0	0	0	111.8	V177 C180 K182 H193 H198	C175-V177 VanDerWaalsContact C-N 3.28Å; C175-V177 PolarHBondContact O-N 3.25Å; C175-C180 HydrophobicContact CB-CB 4.19Å; C175-K182 WeakPolarHBondContact CB-O 3.4Å; C175-K182 PolarHBondContact N-O 3.35Å; C175-H193 PolarHBondContact SG-NE2 3.19Å; C175-H193 VanDerWaalsContact SG-NE2 3.45Å; C175-H198 PolarHBondContact SG-CE1 2.95Å; C175-H198 PolarHBondContact SG-NE2 2.93Å
176	P	87.8	Confident	78.6	Confident	117 Å²	117	94.2 Å²	94.2	76%	0.76	53%	0.534	S	S	*	.			trans	-78	-6	179.6	32	-37.1	0	0	0	114.4
177	V	81.8	Confident	80.3	Confident	30 Å²	30	90.7 Å²	90.7	18%	0.182	52%	0.518	C	S	.	.	S	Bend	trans	-75.9	122.4	-176.7	176.4	0	0	0	0	110.1	C175 G179 C180 H198 I202	C175-V177 VanDerWaalsContact C-N 3.28Å; C175-V177 PolarHBondContact O-N 3.25Å; V177-G179 PolarHBondContact O-N 3.15Å; V177-C180 HydrophobicContact CB-CB 4.25Å; V177-C180 WeakPolarHBondContact O-CB 3.48Å; V177-C180 PolarHBondContact O-N 3.44Å; V177-H198 WeakPolarHBondContact CB-CE1 3.48Å; V177-I202 HydrophobicContact CG1-CG1 3.68Å; V177-I202 HydrophobicContact CG2-CD1 4.17Å; V177-I202 HydrophobicContact CG2-CG1 4.18Å
178	P	80.9	Confident	82.6	Confident	128 Å²	128	92.4 Å²	92.4	83%	0.831	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127.1	-176.4	22.6	-33.3	0	0	0	111.5
179	G	80.5	Confident	84.5	Confident	78 Å²	78	90.9 Å²	90.9	80%	0.804	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-12	-174.4	0	0	0	0	0	115.1	V177 K181	V177-G179 PolarHBondContact O-N 3.15Å; G179-K181 PolarHBondContact O-N 3.01Å
180	C	86.2	Confident	86	Confident	34 Å²	34	87.4 Å²	87.4	23%	0.23	48%	0.476	C	S	.	.			trans	-89.1	109.2	178.3	-160.8	0	0	0	0	112.7	C175 V177 K182 H193 H198	C175-C180 HydrophobicContact CB-CB 4.19Å; V177-C180 HydrophobicContact CB-CB 4.25Å; V177-C180 WeakPolarHBondContact O-CB 3.48Å; V177-C180 PolarHBondContact O-N 3.44Å; C180-K182 VanDerWaalsContact C-N 3.28Å; C180-K182 PolarHBondContact O-N 3.47Å; C180-H193 PolarHBondContact SG-NE2 2.79Å; C180-H193 VanDerWaalsContact SG-NE2 3.39Å; C180-H198 WeakPolarHBondContact CB-CE1 3.31Å; C180-H198 PolarHBondContact SG-CE1 2.97Å
181	K	86.4	Confident	87.3	Confident	204 Å²	204	87 Å²	87	89%	0.887	47%	0.472	S	S	*	.			trans	-84.8	18.1	-178.1	-56.5	-173.3	179.6	-175.1	0	114.7	G179	G179-K181 PolarHBondContact O-N 3.01Å
182	K	87.8	Confident	88.3	Confident	118 Å²	118	90.9 Å²	90.9	51%	0.513	49%	0.485	S	S	.	.			trans	-88.7	133.2	-177	-64	-160.9	-179.7	-170.2	0	112	C175 C180 Y184	C175-K182 WeakPolarHBondContact CB-O 3.4Å; C175-K182 PolarHBondContact N-O 3.35Å; C180-K182 VanDerWaalsContact C-N 3.28Å; C180-K182 PolarHBondContact O-N 3.47Å; K182-Y184 HydrophobicContact CB-CE2 3.89Å
183	R	90.9	Very high	88.8	Confident	94 Å²	94	86.5 Å²	86.5	36%	0.355	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.3	175.3	-55.3	173.4	63	-170.8	4.4	109.9	E169 K171 F173 A174	E169-R183 PolarHBondContact O-NH2 2.86Å; E169-R183 WeakPolarHBondContact OE1-CD 3.38Å; E169-R183 IonicContact OE1-CZ 3.89Å; E169-R183 IonicContact OE1-NE 2.79Å; E169-R183 IonicContact OE1-NH1 2.76Å; E169-R183 PolarHBondContact OE1-NH1 3.49Å; K171-R183 HydrophobicContact CB-CB 3.52Å; K171-R183 HydrophobicContact CD-CB 4.03Å; K171-R183 HydrophobicContact CG-CB 4.41Å; K171-R183 PolarHBondContact O-NE 3.24Å; K171-R183 PolarHBondContact O-NH2 2.95Å; F173-R183 CarbonylContact O-C 3.56Å; F173-R183 WeakPolarHBondContact O-CA 3.25Å; A174-R183 HydrophobicContact CB-CG 4.04Å
184	Y	92.6	Very high	88.7	Confident	56 Å²	56	85.9 Å²	85.9	22%	0.22	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	148.5	-177.2	-68.5	-91.6	0	0	0	112.1	K171 F173 K182 N186 G189 I190 H193	K171-Y184 CarbonylContact C-O 3.51Å; K171-Y184 VanDerWaalsContact C-O 3.32Å; K171-Y184 VanDerWaalsContact CA-O 3.23Å; K171-Y184 WeakPolarHBondContact CA-O 3.47Å; F173-Y184 WeakPolarHBondContact CD2-O 3.23Å; F173-Y184 PolarHBondContact N-O 2.81Å; F173-Y184 PolarHBondContact O-N 3.19Å; K182-Y184 HydrophobicContact CB-CE2 3.89Å; Y184-N186 VanDerWaalsContact C-N 3.34Å; Y184-G189 VanDerWaalsContact CD1-C 3.49Å; Y184-I190 HydrophobicContact CD2-CB 4.12Å; Y184-I190 HydrophobicContact CG-CB 4.38Å; Y184-H193 HydrophobicContact CD2-CB 4.31Å; Y184-H193 HydrophobicContact CE1-CB 4.44Å; Y184-H193 HydrophobicContact CE2-CB 3.5Å; Y184-H193 AromaticContact CE2-CD2 3.46Å; Y184-H193 VanDerWaalsContact CE2-CD2 3.46Å; Y184-H193 WeakPolarHBondContact CE2-CD2 3.25Å; Y184-H193 AromaticContact CE2-CG 3.5Å; Y184-H193 AromaticContact CZ-CG 3.8Å
185	K	88.8	Confident	88.5	Confident	167 Å²	167	91.3 Å²	91.3	73%	0.726	48%	0.478	S	S	*	.	S	Bend	trans	-72.3	-24.9	176.5	-175.3	169.8	-179.4	173.8	0	112.8
186	N	90.7	Very high	88.3	Confident	86 Å²	86	94 Å²	94	46%	0.46	49%	0.492	S	S	.	.	S	Bend	trans	-137.8	160.1	-175.5	61.7	8.8	0	0	0	113.5	F173 Y184 N188 G189 I190	F173-N186 VanDerWaalsContact CD2-C 3.43Å; Y184-N186 VanDerWaalsContact C-N 3.34Å; N186-N188 PolarHBondContact O-N 2.82Å; N186-G189 PolarHBondContact O-N 3.25Å; N186-G189 WeakPolarHBondContact OD1-CA 3.49Å; N186-G189 PolarHBondContact OD1-N 3.46Å; N186-I190 PolarHBondContact O-N 3.24Å
187	V	89.9	Confident	88	Confident	80 Å²	80	90 Å²	90	49%	0.485	47%	0.471	S	S	.	.	H	α-helix	trans	-57	-38.6	176.3	-177.9	0	0	0	0	111.4	F173 G189 I190 K191	F173-V187 HydrophobicContact CD1-CG2 4.2Å; F173-V187 HydrophobicContact CE1-CG2 3.54Å; F173-V187 HydrophobicContact CE2-CG2 4.27Å; F173-V187 HydrophobicContact CZ-CG2 3.58Å; V187-G189 PolarHBondContact O-N 2.84Å; V187-I190 WeakPolarHBondContact O-CG2 3.46Å; V187-I190 PolarHBondContact O-N 2.91Å; V187-K191 VanDerWaalsContact O-CB 3.27Å; V187-K191 WeakPolarHBondContact O-CB 3.27Å; V187-K191 PolarHBondContact O-N 3.39Å
188	N	92.6	Very high	87.8	Confident	121 Å²	121	89.2 Å²	89.2	65%	0.647	47%	0.465	S	S	*	.	H	α-helix	trans	-64.2	-40.6	-177.5	-66.3	2.6	0	0	0	112.2	N186 K191 Y192	N186-N188 PolarHBondContact O-N 2.82Å; N188-K191 PolarHBondContact O-N 2.97Å; N188-Y192 PolarHBondContact O-N 2.7Å
189	G	90.9	Very high	87.2	Confident	14 Å²	14	93.2 Å²	93.2	14%	0.144	46%	0.464	C	S	.	.	H	α-helix	trans	-64.4	-45.3	176.7	0	0	0	0	0	112.8	Y184 N186 V187 Y192 H193	Y184-G189 VanDerWaalsContact CD1-C 3.49Å; N186-G189 PolarHBondContact O-N 3.25Å; N186-G189 WeakPolarHBondContact OD1-CA 3.49Å; N186-G189 PolarHBondContact OD1-N 3.46Å; V187-G189 PolarHBondContact O-N 2.84Å; G189-Y192 PolarHBondContact O-N 3.4Å; G189-H193 WeakPolarHBondContact O-CB 3.39Å; G189-H193 PolarHBondContact O-N 2.76Å
190	I	90.8	Very high	86.3	Confident	28 Å²	28	94.9 Å²	94.9	14%	0.144	46%	0.459	C	S	.	.	H	α-helix	trans	-68.5	-34.8	175.1	-172.4	164.7	0	0	0	112	F173 A174 Y184 N186 V187 H193 A194	F173-I190 HydrophobicContact CB-CB 3.96Å; F173-I190 HydrophobicContact CB-CD1 4.04Å; F173-I190 HydrophobicContact CB-CG2 3.7Å; F173-I190 HydrophobicContact CD1-CG2 4.33Å; F173-I190 HydrophobicContact CG-CG2 4.15Å; A174-I190 WeakPolarHBondContact O-CD1 3.24Å; Y184-I190 HydrophobicContact CD2-CB 4.12Å; Y184-I190 HydrophobicContact CG-CB 4.38Å; N186-I190 PolarHBondContact O-N 3.24Å; V187-I190 WeakPolarHBondContact O-CG2 3.46Å; V187-I190 PolarHBondContact O-N 2.91Å; I190-H193 PolarHBondContact O-N 3.06Å; I190-A194 WeakPolarHBondContact O-CB 3.35Å; I190-A194 PolarHBondContact O-N 3.3Å
191	K	91.4	Very high	84.9	Confident	154 Å²	154	100.3 Å²	100.3	67%	0.67	48%	0.481	S	S	*	.	H	α-helix	trans	-63.7	-42.3	176.3	-172	173.6	-176.2	174.8	0	111.7	V187 N188 K195	V187-K191 VanDerWaalsContact O-CB 3.27Å; V187-K191 WeakPolarHBondContact O-CB 3.27Å; V187-K191 PolarHBondContact O-N 3.39Å; N188-K191 PolarHBondContact O-N 2.97Å; K191-K195 WeakPolarHBondContact O-CB 3.47Å; K191-K195 PolarHBondContact O-N 3.46Å
192	Y	92.4	Very high	83.6	Confident	159 Å²	159	94.7 Å²	94.7	62%	0.624	46%	0.459	S	S	*	.	H	α-helix	trans	-62.9	-44.9	171.1	-179.5	-93.8	0	0	0	111.7	N188 G189 K195 N196	N188-Y192 PolarHBondContact O-N 2.7Å; G189-Y192 PolarHBondContact O-N 3.4Å; Y192-K195 PolarHBondContact O-N 3.31Å; Y192-N196 HydrophobicContact CE1-CB 4.49Å; Y192-N196 WeakPolarHBondContact CE2-ND2 3.42Å; Y192-N196 WeakPolarHBondContact O-CB 3.31Å; Y192-N196 PolarHBondContact O-N 3.04Å
193	H	92.7	Very high	82	Confident	6 Å²	6	100.6 Å²	100.6	3%	0.028	48%	0.479	C	S	.	.	I	π-helix	trans	-63.4	-44.3	179.2	176.4	43.4	0	0	0	113.1	C175 C180 Y184 G189 I190 K195 G197 H198	C175-H193 PolarHBondContact SG-NE2 3.19Å; C175-H193 VanDerWaalsContact SG-NE2 3.45Å; C180-H193 PolarHBondContact SG-NE2 2.79Å; C180-H193 VanDerWaalsContact SG-NE2 3.39Å; Y184-H193 HydrophobicContact CD2-CB 4.31Å; Y184-H193 HydrophobicContact CE1-CB 4.44Å; Y184-H193 HydrophobicContact CE2-CB 3.5Å; Y184-H193 AromaticContact CE2-CD2 3.46Å; Y184-H193 VanDerWaalsContact CE2-CD2 3.46Å; Y184-H193 WeakPolarHBondContact CE2-CD2 3.25Å; Y184-H193 AromaticContact CE2-CG 3.5Å; Y184-H193 AromaticContact CZ-CG 3.8Å; G189-H193 WeakPolarHBondContact O-CB 3.39Å; G189-H193 PolarHBondContact O-N 2.76Å; I190-H193 PolarHBondContact O-N 3.06Å; H193-K195 PolarHBondContact O-N 3.05Å; H193-G197 VanDerWaalsContact O-CA 3.3Å; H193-G197 WeakPolarHBondContact O-CA 3.46Å; H193-G197 PolarHBondContact O-N 3.38Å; H193-H198 AromaticContact CD2-NE2 2.78Å; H193-H198 PolarHBondContact CD2-NE2 3.43Å; H193-H198 AromaticContact CE1-CD2 3.94Å; H193-H198 AromaticContact CE1-CE1 3.9Å; H193-H198 AromaticContact CE1-NE2 2.67Å; H193-H198 PolarHBondContact CE1-NE2 2.96Å; H193-H198 AromaticContact CG-NE2 3.44Å; H193-H198 AromaticContact ND1-NE2 3.38Å; H193-H198 PolarHBondContact ND1-NE2 3.09Å; H193-H198 AromaticContact NE2-CE1 3.65Å; H193-H198 AromaticContact NE2-NE2 2.22Å; H193-H198 PolarHBondContact NE2-NE2 2.82Å; H193-H198 PolarHBondContact O-CD2 3.05Å
194	A	88	Confident	80.4	Confident	60 Å²	60	99.9 Å²	99.9	50%	0.496	48%	0.484	S	S	.	.	I	π-helix	trans	-57.4	-48.5	175.3	0	0	0	0	0	111.1	I190	I190-A194 WeakPolarHBondContact O-CB 3.35Å; I190-A194 PolarHBondContact O-N 3.3Å
195	K	85.9	Confident	78.9	Confident	169 Å²	169	105.2 Å²	105.2	74%	0.735	50%	0.504	S	S	*	.	I	π-helix	trans	-67.3	-42.8	-178	-168.2	177.8	-178.9	177.1	0	113.6	K191 Y192 H193	K191-K195 WeakPolarHBondContact O-CB 3.47Å; K191-K195 PolarHBondContact O-N 3.46Å; Y192-K195 PolarHBondContact O-N 3.31Å; H193-K195 PolarHBondContact O-N 3.05Å
196	N	85.7	Confident	78.3	Confident	72 Å²	72	102.2 Å²	102.2	39%	0.385	49%	0.491	S	S	.	.	I	π-helix	trans	-110	-35.1	-168.1	-69.4	-3	0	0	0	114.1	Y192 H198	Y192-N196 HydrophobicContact CE1-CB 4.49Å; Y192-N196 WeakPolarHBondContact CE2-ND2 3.42Å; Y192-N196 WeakPolarHBondContact O-CB 3.31Å; Y192-N196 PolarHBondContact O-N 3.04Å; N196-H198 PolarHBondContact O-N 3.37Å
197	G	80.7	Confident	77.8	Confident	32 Å²	32	102.4 Å²	102.4	33%	0.33	50%	0.497	S	S	.	.	I	π-helix	trans	-77	-18.9	-170.2	0	0	0	0	0	115.6	H193	H193-G197 VanDerWaalsContact O-CA 3.3Å; H193-G197 WeakPolarHBondContact O-CA 3.46Å; H193-G197 PolarHBondContact O-N 3.38Å
198	H	78.5	Confident	77.7	Confident	13 Å²	13	102.1 Å²	102.1	6%	0.06	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-8.4	-174.4	-71.4	-68.5	0	0	0	115.1	C175 V177 C180 H193 N196 T200 Q201 I202	C175-H198 PolarHBondContact SG-CE1 2.95Å; C175-H198 PolarHBondContact SG-NE2 2.93Å; V177-H198 WeakPolarHBondContact CB-CE1 3.48Å; C180-H198 WeakPolarHBondContact CB-CE1 3.31Å; C180-H198 PolarHBondContact SG-CE1 2.97Å; H193-H198 AromaticContact CD2-NE2 2.78Å; H193-H198 PolarHBondContact CD2-NE2 3.43Å; H193-H198 AromaticContact CE1-CD2 3.94Å; H193-H198 AromaticContact CE1-CE1 3.9Å; H193-H198 AromaticContact CE1-NE2 2.67Å; H193-H198 PolarHBondContact CE1-NE2 2.96Å; H193-H198 AromaticContact CG-NE2 3.44Å; H193-H198 AromaticContact ND1-NE2 3.38Å; H193-H198 PolarHBondContact ND1-NE2 3.09Å; H193-H198 AromaticContact NE2-CE1 3.65Å; H193-H198 AromaticContact NE2-NE2 2.22Å; H193-H198 PolarHBondContact NE2-NE2 2.82Å; H193-H198 PolarHBondContact O-CD2 3.05Å; N196-H198 PolarHBondContact O-N 3.37Å; H198-T200 PolarHBondContact O-N 3.49Å; H198-Q201 PolarHBondContact O-N 2.85Å; H198-I202 HydrophobicContact CB-CD1 3.71Å; H198-I202 HydrophobicContact CB-CG1 3.87Å; H198-I202 PolarHBondContact O-N 3.28Å
199	R	68.4	Low	77.5	Confident	213 Å²	213	103.9 Å²	103.9	80%	0.804	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.9	-174.8	-141.3	176.5	-162.8	-179.5	5.6	114.2
200	T	61.5	Low	77.5	Confident	113 Å²	113	104 Å²	104	69%	0.693	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-7.8	178.7	52.3	0	0	0	0	114.2	H198	H198-T200 PolarHBondContact O-N 3.49Å
201	Q	56.5	Low	77.3	Confident	147 Å²	147	114.8 Å²	114.8	69%	0.687	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	-13.9	-165.3	-69.4	-64.4	-11.9	0	0	116.1	H198 R203	H198-Q201 PolarHBondContact O-N 2.85Å; Q201-R203 PolarHBondContact O-N 3.13Å
202	I	58.2	Low	77.1	Confident	86 Å²	86	110.3 Å²	110.3	44%	0.441	52%	0.516	S	S	.	.	S	Bend	trans	-59	137.1	151.4	-79	167.2	0	0	0	106.4	V177 H198 V204	V177-I202 HydrophobicContact CG1-CG1 3.68Å; V177-I202 HydrophobicContact CG2-CD1 4.17Å; V177-I202 HydrophobicContact CG2-CG1 4.18Å; H198-I202 HydrophobicContact CB-CD1 3.71Å; H198-I202 HydrophobicContact CB-CG1 3.87Å; H198-I202 PolarHBondContact O-N 3.28Å; I202-V204 PolarHBondContact O-N 3.28Å
203	R	54.5	Low	76.8	Confident	243 Å²	243	105.4 Å²	105.4	92%	0.917	51%	0.513	S	S	*	.			trans	-61.2	90.8	169.4	-64.4	-174.9	-167.2	177.9	5.1	107.9	Q201 R205	Q201-R203 PolarHBondContact O-N 3.13Å; R203-R205 PolarHBondContact O-N 3.35Å
204	V	57.3	Low	76.5	Confident	78 Å²	78	109.9 Å²	109.9	47%	0.473	53%	0.533	S	S	.	.			trans	-57.9	105	174.3	178.6	0	0	0	0	106.2	I202 K206	I202-V204 PolarHBondContact O-N 3.28Å; V204-K206 HydrophobicContact CG1-CG 4.35Å; V204-K206 WeakPolarHBondContact O-CG 3.48Å; V204-K206 PolarHBondContact O-N 3Å
205	R	62.6	Low	76.6	Confident	169 Å²	169	108.7 Å²	108.7	64%	0.638	52%	0.521	S	S	*	.			trans	-52.4	113.1	164.8	-93.7	-169.2	175.5	-154.7	0.1	103.5	E34 D35 R203 P207	E34-R205 IonicContact OE2-NH2 3.96Å; D35-R205 IonicContact OD1-CZ 3.48Å; D35-R205 IonicContact OD1-NH1 2.8Å; D35-R205 PolarHBondContact OD1-NH1 3.18Å; D35-R205 IonicContact OD1-NH2 3.12Å; D35-R205 PolarHBondContact OD1-NH2 3.08Å; D35-R205 VanDerWaalsContact OD1-NH2 3.12Å; D35-R205 IonicContact OD2-NH1 3.9Å; R203-R205 PolarHBondContact O-N 3.35Å; R205-P207 VanDerWaalsContact C-CD 3.44Å; R205-P207 WeakPolarHBondContact O-CD 3.29Å
206	K	74.6	Confident	76.8	Confident	103 Å²	103	103.4 Å²	103.4	45%	0.448	50%	0.497	S	S	.	.			trans	-98.8	81.9	-179.3	-79.5	158.5	161	-153.8	0	106	V204 F208 S215 Y216	V204-K206 HydrophobicContact CG1-CG 4.35Å; V204-K206 WeakPolarHBondContact O-CG 3.48Å; V204-K206 PolarHBondContact O-N 3Å; K206-F208 PolarHBondContact O-N 3.03Å; K206-F208 VanDerWaalsContact O-N 3.15Å; K206-S215 VanDerWaalsContact CD-O 3.31Å; K206-S215 WeakPolarHBondContact CD-O 3.41Å; K206-S215 WeakPolarHBondContact CE-O 3.28Å; K206-S215 PolarHBondContact NZ-O 3.23Å; K206-Y216 WeakPolarHBondContact CB-O 3.45Å
207	P	81.6	Confident	76.6	Confident	90 Å²	90	108.2 Å²	108.2	58%	0.584	51%	0.514	S	S	*	.			trans	-61.6	-27.4	-172.5	25.3	-35.6	0	0	0	111.7	R205 K209	R205-P207 VanDerWaalsContact C-CD 3.44Å; R205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-K209 VanDerWaalsContact C-N 3.31Å; P207-K209 PolarHBondContact O-N 3.18Å
208	F	87.3	Confident	77	Confident	74 Å²	74	109.8 Å²	109.8	33%	0.325	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	74.6	178.7	-50.3	-67.5	0	0	0	111.2	K206 Y216 T218 A219 L222	K206-F208 PolarHBondContact O-N 3.03Å; K206-F208 VanDerWaalsContact O-N 3.15Å; F208-Y216 PolarHBondContact O-N 3.1Å; F208-T218 VanDerWaalsContact CD2-CA 3.48Å; F208-A219 HydrophobicContact CD1-CB 3.89Å; F208-A219 VanDerWaalsContact CD2-N 3.3Å; F208-A219 HydrophobicContact CE1-CB 3.63Å; F208-A219 HydrophobicContact CE2-CB 4.43Å; F208-A219 HydrophobicContact CG-CB 4.41Å; F208-A219 HydrophobicContact CZ-CB 3.93Å; F208-L222 HydrophobicContact CB-CB 3.82Å; F208-L222 HydrophobicContact CB-CD2 3.78Å; F208-L222 HydrophobicContact CB-CG 4.41Å
209	K	87.9	Confident	77.5	Confident	159 Å²	159	111.1 Å²	111.1	69%	0.691	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	139	172.4	-54.1	-178.5	-176	173.3	0	110.5	P207	P207-K209 VanDerWaalsContact C-N 3.31Å; P207-K209 PolarHBondContact O-N 3.18Å
210	C	91.1	Very high	78.6	Confident	17 Å²	17	108.5 Å²	108.5	12%	0.115	53%	0.528	C	S	.	.			trans	-96.5	159.5	169.8	-160.9	0	0	0	0	111.7	C212 G213 K214 L222 H225 H230	C210-C212 PolarHBondContact O-N 3.32Å; C210-C212 VanDerWaalsContact O-N 3.15Å; C210-G213 PolarHBondContact O-N 3.34Å; C210-K214 VanDerWaalsContact CB-O 3.28Å; C210-K214 WeakPolarHBondContact CB-O 3.41Å; C210-K214 PolarHBondContact N-O 3.04Å; C210-L222 HydrophobicContact CB-CD1 3.46Å; C210-L222 VanDerWaalsContact CB-CD1 3.46Å; C210-H225 WeakPolarHBondContact CB-NE2 3.3Å; C210-H225 VanDerWaalsContact SG-CD2 3.58Å; C210-H225 PolarHBondContact SG-NE2 3.46Å; C210-H230 PolarHBondContact SG-CD2 2.68Å
211	R	85.6	Confident	80	Confident	254 Å²	254	104.1 Å²	104.1	96%	0.958	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	177.1	-67.4	170.4	69.8	177.4	1.5	113.7
212	C	89	Confident	81.7	Confident	59 Å²	59	98.7 Å²	98.7	40%	0.399	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	11.9	169.5	70.6	0	0	0	0	114.5	C210 K214 H225 H230	C210-C212 PolarHBondContact O-N 3.32Å; C210-C212 VanDerWaalsContact O-N 3.15Å; C212-K214 VanDerWaalsContact C-N 3.26Å; C212-K214 PolarHBondContact O-N 2.95Å; C212-H225 VanDerWaalsContact SG-CE1 3.58Å; C212-H225 PolarHBondContact SG-NE2 3.02Å; C212-H230 WeakPolarHBondContact CB-NE2 3.49Å; C212-H230 PolarHBondContact SG-NE2 3.19Å
213	G	85.5	Confident	83.3	Confident	56 Å²	56	103.2 Å²	103.2	58%	0.577	49%	0.492	S	S	*	.	S	Bend	trans	82.7	-20.4	-179.1	0	0	0	0	0	115.5	C210 S215	C210-G213 PolarHBondContact O-N 3.34Å; G213-S215 PolarHBondContact O-N 3.22Å; G213-S215 PolarHBondContact O-OG 2.88Å
214	K	87.2	Confident	85.1	Confident	100 Å²	100	97.3 Å²	97.3	44%	0.435	48%	0.475	S	S	.	.			trans	-60.8	128	176.3	-66.5	-178.6	-177	176.2	0	110.6	C210 C212 Y216	C210-K214 VanDerWaalsContact CB-O 3.28Å; C210-K214 WeakPolarHBondContact CB-O 3.41Å; C210-K214 PolarHBondContact N-O 3.04Å; C212-K214 VanDerWaalsContact C-N 3.26Å; C212-K214 PolarHBondContact O-N 2.95Å; K214-Y216 HydrophobicContact CB-CE2 3.69Å; K214-Y216 WeakPolarHBondContact O-CE2 3.46Å
215	S	89.2	Confident	86.8	Confident	35 Å²	35	93.8 Å²	93.8	25%	0.245	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.8	-170.3	-60.9	0	0	0	0	112.4	K206 G213	K206-S215 VanDerWaalsContact CD-O 3.31Å; K206-S215 WeakPolarHBondContact CD-O 3.41Å; K206-S215 WeakPolarHBondContact CE-O 3.28Å; K206-S215 PolarHBondContact NZ-O 3.23Å; G213-S215 PolarHBondContact O-N 3.22Å; G213-S215 PolarHBondContact O-OG 2.88Å
216	Y	88.9	Confident	88.2	Confident	59 Å²	59	88.3 Å²	88.3	23%	0.231	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.3	-162.4	-64.7	-90.8	0	0	0	113.6	K206 F208 K214 L222 H225	K206-Y216 WeakPolarHBondContact CB-O 3.45Å; F208-Y216 PolarHBondContact O-N 3.1Å; K214-Y216 HydrophobicContact CB-CE2 3.69Å; K214-Y216 WeakPolarHBondContact O-CE2 3.46Å; Y216-L222 HydrophobicContact CD2-CB 4.14Å; Y216-L222 HydrophobicContact CD2-CD1 4.06Å; Y216-L222 HydrophobicContact CE2-CD1 4.42Å; Y216-L222 HydrophobicContact CG-CB 4.36Å; Y216-H225 HydrophobicContact CE1-CB 4.07Å; Y216-H225 HydrophobicContact CE2-CB 3.89Å; Y216-H225 AromaticContact CE2-CD2 3.34Å; Y216-H225 WeakPolarHBondContact CE2-CD2 3.49Å; Y216-H225 AromaticContact CE2-CG 3.73Å; Y216-H225 AromaticContact CZ-CD2 3.66Å; Y216-H225 AromaticContact CZ-CG 3.55Å; Y216-H225 WeakPolarHBondContact OH-CB 3.5Å; Y216-H225 PolarHBondContact OH-CD2 3.3Å
217	K	83.4	Confident	88.9	Confident	172 Å²	172	88.7 Å²	88.7	75%	0.748	45%	0.445	S	S	*	.	S	Bend	trans	-76.9	-18.4	179.5	64.3	172.4	-175.9	-179.6	0	114.7
218	T	88.2	Confident	89.4	Confident	66 Å²	66	88.7 Å²	88.7	41%	0.405	44%	0.44	S	S	.	.	S	Bend	trans	-145.9	151	-177.3	52	0	0	0	0	111	F208 Q220 G221 L222	F208-T218 VanDerWaalsContact CD2-CA 3.48Å; T218-Q220 PolarHBondContact O-N 3.42Å; T218-G221 PolarHBondContact O-N 3.02Å; T218-G221 VanDerWaalsContact O-N 3.08Å; T218-L222 PolarHBondContact O-N 3.26Å
219	A	89.9	Confident	89.5	Confident	40 Å²	40	91 Å²	91	33%	0.331	45%	0.45	S	S	.	.	H	α-helix	trans	-56.6	-37.6	177	0	0	0	0	0	112.6	F208 G221 L222 R223	F208-A219 HydrophobicContact CD1-CB 3.89Å; F208-A219 VanDerWaalsContact CD2-N 3.3Å; F208-A219 HydrophobicContact CE1-CB 3.63Å; F208-A219 HydrophobicContact CE2-CB 4.43Å; F208-A219 HydrophobicContact CG-CB 4.41Å; F208-A219 HydrophobicContact CZ-CB 3.93Å; A219-G221 PolarHBondContact O-N 3.28Å; A219-L222 PolarHBondContact O-N 3.12Å; A219-R223 WeakPolarHBondContact O-CG 3.48Å; A219-R223 PolarHBondContact O-N 2.92Å
220	Q	91.3	Very high	89.5	Confident	158 Å²	158	87 Å²	87	74%	0.738	43%	0.433	S	S	*	.	H	α-helix	trans	-64.1	-37.7	177.1	-169.5	179.2	10	0	0	112.5	T218 R223 H224	T218-Q220 PolarHBondContact O-N 3.42Å; Q220-R223 PolarHBondContact O-N 2.91Å; Q220-H224 WeakPolarHBondContact O-CB 3.27Å; Q220-H224 PolarHBondContact O-N 2.73Å
221	G	90.7	Very high	88.9	Confident	22 Å²	22	90.3 Å²	90.3	23%	0.227	46%	0.455	C	S	.	.	H	α-helix	trans	-65.2	-41	174.9	0	0	0	0	0	112.3	T218 A219 H225	T218-G221 PolarHBondContact O-N 3.02Å; T218-G221 VanDerWaalsContact O-N 3.08Å; A219-G221 PolarHBondContact O-N 3.28Å; G221-H225 WeakPolarHBondContact O-CB 3.41Å; G221-H225 PolarHBondContact O-N 3.31Å; G221-H225 VanDerWaalsContact O-N 3.12Å
222	L	91.8	Very high	88.1	Confident	32 Å²	32	83.5 Å²	83.5	17%	0.168	44%	0.443	C	S	.	.	H	α-helix	trans	-64.4	-46.6	171.9	174.5	61.9	0	0	0	111.6	F208 C210 Y216 T218 A219 H224 H225 T226	F208-L222 HydrophobicContact CB-CB 3.82Å; F208-L222 HydrophobicContact CB-CD2 3.78Å; F208-L222 HydrophobicContact CB-CG 4.41Å; C210-L222 HydrophobicContact CB-CD1 3.46Å; C210-L222 VanDerWaalsContact CB-CD1 3.46Å; Y216-L222 HydrophobicContact CD2-CB 4.14Å; Y216-L222 HydrophobicContact CD2-CD1 4.06Å; Y216-L222 HydrophobicContact CE2-CD1 4.42Å; Y216-L222 HydrophobicContact CG-CB 4.36Å; T218-L222 PolarHBondContact O-N 3.26Å; A219-L222 PolarHBondContact O-N 3.12Å; L222-H224 PolarHBondContact O-N 2.62Å; L222-H225 PolarHBondContact O-N 3.35Å; L222-T226 PolarHBondContact O-N 2.79Å; L222-T226 PolarHBondContact O-OG1 3Å; L222-T226 VanDerWaalsContact O-OG1 3.1Å
223	R	91.6	Very high	86.8	Confident	181 Å²	181	85.4 Å²	85.4	68%	0.683	45%	0.453	S	S	*	.	H	α-helix	trans	-57.8	-48.1	178.3	-75.4	179	-177.6	-170.3	1.2	112.2	A219 Q220 H225 T226 I227	A219-R223 WeakPolarHBondContact O-CG 3.48Å; A219-R223 PolarHBondContact O-N 2.92Å; Q220-R223 PolarHBondContact O-N 2.91Å; R223-H225 VanDerWaalsContact C-N 3.31Å; R223-H225 PolarHBondContact O-N 3.09Å; R223-T226 PolarHBondContact O-N 2.68Å; R223-I227 WeakPolarHBondContact O-CD1 3.29Å; R223-I227 VanDerWaalsContact O-CG1 3.28Å; R223-I227 WeakPolarHBondContact O-CG1 3.43Å; R223-I227 PolarHBondContact O-N 3.31Å
224	H	93	Very high	85.4	Confident	119 Å²	119	85.4 Å²	85.4	55%	0.551	44%	0.444	S	S	*	.	H	α-helix	trans	-61.9	-39.7	177.7	-177.2	75.9	0	0	0	111.9	Q220 L222 N228	Q220-H224 WeakPolarHBondContact O-CB 3.27Å; Q220-H224 PolarHBondContact O-N 2.73Å; L222-H224 PolarHBondContact O-N 2.62Å; H224-N228 PolarHBondContact CE1-ND2 3.36Å; H224-N228 VanDerWaalsContact CE1-ND2 3.27Å; H224-N228 PolarHBondContact NE2-ND2 3.34Å; H224-N228 VanDerWaalsContact NE2-ND2 3.17Å; H224-N228 WeakPolarHBondContact O-CB 3.44Å; H224-N228 VanDerWaalsContact O-CG 3.28Å; H224-N228 PolarHBondContact O-N 2.94Å; H224-N228 VanDerWaalsContact O-N 3.09Å; H224-N228 PolarHBondContact O-OD1 2.97Å
225	H	93.2	Very high	84.1	Confident	4 Å²	4	83.5 Å²	83.5	2%	0.019	45%	0.447	C	S	.	.	H	α-helix	trans	-64.6	-44.9	172.4	164.3	49.8	0	0	0	112.6	C210 C212 Y216 G221 L222 R223 I227 N228 F229 H230	C210-H225 WeakPolarHBondContact CB-NE2 3.3Å; C210-H225 VanDerWaalsContact SG-CD2 3.58Å; C210-H225 PolarHBondContact SG-NE2 3.46Å; C212-H225 VanDerWaalsContact SG-CE1 3.58Å; C212-H225 PolarHBondContact SG-NE2 3.02Å; Y216-H225 HydrophobicContact CE1-CB 4.07Å; Y216-H225 HydrophobicContact CE2-CB 3.89Å; Y216-H225 AromaticContact CE2-CD2 3.34Å; Y216-H225 WeakPolarHBondContact CE2-CD2 3.49Å; Y216-H225 AromaticContact CE2-CG 3.73Å; Y216-H225 AromaticContact CZ-CD2 3.66Å; Y216-H225 AromaticContact CZ-CG 3.55Å; Y216-H225 WeakPolarHBondContact OH-CB 3.5Å; Y216-H225 PolarHBondContact OH-CD2 3.3Å; G221-H225 WeakPolarHBondContact O-CB 3.41Å; G221-H225 PolarHBondContact O-N 3.31Å; G221-H225 VanDerWaalsContact O-N 3.12Å; L222-H225 PolarHBondContact O-N 3.35Å; R223-H225 VanDerWaalsContact C-N 3.31Å; R223-H225 PolarHBondContact O-N 3.09Å; H225-I227 PolarHBondContact O-N 2.95Å; H225-N228 PolarHBondContact O-N 3.28Å; H225-F229 AromaticContact CE1-CG 3.88Å; H225-F229 AromaticContact ND1-CD2 3.2Å; H225-F229 WeakPolarHBondContact ND1-CD2 3.29Å; H225-F229 AromaticContact ND1-CE2 4Å; H225-F229 AromaticContact ND1-CG 3.51Å; H225-F229 WeakPolarHBondContact O-CB 3.15Å; H225-F229 WeakPolarHBondContact O-CD2 3.3Å; H225-F229 PolarHBondContact O-N 3.29Å; H225-H230 AromaticContact CE1-CD2 3.85Å; H225-H230 AromaticContact CE1-NE2 3.64Å; H225-H230 AromaticContact NE2-CD2 3.76Å; H225-H230 AromaticContact NE2-NE2 3.61Å
226	T	92.1	Very high	82.6	Confident	55 Å²	55	87.7 Å²	87.7	34%	0.337	46%	0.463	S	S	.	.	H	α-helix	trans	-59.1	-47.9	176	-57.9	0	0	0	0	110.6	L222 R223 N228 H230	L222-T226 PolarHBondContact O-N 2.79Å; L222-T226 PolarHBondContact O-OG1 3Å; L222-T226 VanDerWaalsContact O-OG1 3.1Å; R223-T226 PolarHBondContact O-N 2.68Å; T226-N228 PolarHBondContact O-N 3.34Å; T226-H230 HydrophobicContact CG2-CB 4.21Å; T226-H230 CarbonylContact O-C 3.56Å; T226-H230 WeakPolarHBondContact O-CA 3.3Å; T226-H230 WeakPolarHBondContact O-CB 3.42Å; T226-H230 PolarHBondContact O-N 3.29Å
227	I	89.2	Confident	81.3	Confident	111 Å²	111	89 Å²	89	57%	0.569	47%	0.473	S	S	*	.	H	α-helix	trans	-59.1	-44.8	-180	-67.5	161.7	0	0	0	111.6	R223 H225	R223-I227 WeakPolarHBondContact O-CD1 3.29Å; R223-I227 VanDerWaalsContact O-CG1 3.28Å; R223-I227 WeakPolarHBondContact O-CG1 3.43Å; R223-I227 PolarHBondContact O-N 3.31Å; H225-I227 PolarHBondContact O-N 2.95Å
228	N	90.7	Very high	80.2	Confident	90 Å²	90	85.9 Å²	85.9	48%	0.481	46%	0.463	S	S	.	.	H	α-helix	trans	-84.6	-28.3	-173.1	-63.2	5.1	0	0	0	114.5	H224 H225 T226	H224-N228 PolarHBondContact CE1-ND2 3.36Å; H224-N228 VanDerWaalsContact CE1-ND2 3.27Å; H224-N228 PolarHBondContact NE2-ND2 3.34Å; H224-N228 VanDerWaalsContact NE2-ND2 3.17Å; H224-N228 WeakPolarHBondContact O-CB 3.44Å; H224-N228 VanDerWaalsContact O-CG 3.28Å; H224-N228 PolarHBondContact O-N 2.94Å; H224-N228 VanDerWaalsContact O-N 3.09Å; H224-N228 PolarHBondContact O-OD1 2.97Å; H225-N228 PolarHBondContact O-N 3.28Å; T226-N228 PolarHBondContact O-N 3.34Å
229	F	89.4	Confident	79	Confident	122 Å²	122	91.9 Å²	91.9	54%	0.535	48%	0.478	S	S	.	.	H	α-helix	trans	-117.1	-14.9	-173.2	-64	-95.3	0	0	0	113.7	H225 P231	H225-F229 AromaticContact CE1-CG 3.88Å; H225-F229 AromaticContact ND1-CD2 3.2Å; H225-F229 WeakPolarHBondContact ND1-CD2 3.29Å; H225-F229 AromaticContact ND1-CE2 4Å; H225-F229 AromaticContact ND1-CG 3.51Å; H225-F229 WeakPolarHBondContact O-CB 3.15Å; H225-F229 WeakPolarHBondContact O-CD2 3.3Å; H225-F229 PolarHBondContact O-N 3.29Å; F229-P231 VanDerWaalsContact C-CD 3.45Å
230	H	87.9	Confident	77.7	Confident	75 Å²	75	98 Å²	98	35%	0.347	50%	0.498	S	S	.	.	S	Bend	trans	-134.2	56	175	-57.9	-55.2	0	0	0	109.6	C210 C212 H225 T226	C210-H230 PolarHBondContact SG-CD2 2.68Å; C212-H230 WeakPolarHBondContact CB-NE2 3.49Å; C212-H230 PolarHBondContact SG-NE2 3.19Å; H225-H230 AromaticContact CE1-CD2 3.85Å; H225-H230 AromaticContact CE1-NE2 3.64Å; H225-H230 AromaticContact NE2-CD2 3.76Å; H225-H230 AromaticContact NE2-NE2 3.61Å; T226-H230 HydrophobicContact CG2-CB 4.21Å; T226-H230 CarbonylContact O-C 3.56Å; T226-H230 WeakPolarHBondContact O-CA 3.3Å; T226-H230 WeakPolarHBondContact O-CB 3.42Å; T226-H230 PolarHBondContact O-N 3.29Å
231	P	78.9	Confident	76.5	Confident	87 Å²	87	98.1 Å²	98.1	57%	0.565	50%	0.5	S	S	*	.			trans	-52.5	132.2	179.6	24.2	-34.6	0	0	0	108.9	F229 V233	F229-P231 VanDerWaalsContact C-CD 3.45Å; P231-V233 PolarHBondContact O-N 2.88Å
232	P	69.6	Low	75.3	Confident	111 Å²	111	105 Å²	105	72%	0.721	53%	0.526	S	S	*	.			trans	-64.1	115.4	-175.3	25.5	-33.2	0	0	0	109.2	S234	P232-S234 PolarHBondContact O-N 2.95Å
233	V	61.3	Low	73.6	Confident	98 Å²	98	114.8 Å²	114.8	59%	0.594	57%	0.571	S	S	*	*			trans	-58.1	109.2	166.3	178.6	0	0	0	0	106.3	P231 I237	P231-V233 PolarHBondContact O-N 2.88Å; V233-I237 HydrophobicContact CG1-CB 3.91Å; V233-I237 HydrophobicContact CG1-CD1 3.94Å; V233-I237 HydrophobicContact CG1-CG1 4.48Å; V233-I237 HydrophobicContact CG1-CG2 4.02Å
234	S	55.3	Low	72.7	Confident	56 Å²	56	111.5 Å²	111.5	39%	0.392	57%	0.565	S	S	.	*			trans	-64.3	149.3	-172.2	43.3	0	0	0	0	111.2	P232 E236 I237	P232-S234 PolarHBondContact O-N 2.95Å; S234-E236 PolarHBondContact O-N 3.2Å; S234-E236 VanDerWaalsContact O-N 3.1Å; S234-I237 PolarHBondContact O-N 2.92Å
235	A	61	Low	71.7	Confident	61 Å²	61	111.1 Å²	111.1	50%	0.504	57%	0.566	S	S	.	*	H	α-helix	trans	-61	-24.1	-173.2	0	0	0	0	0	112.9	I237 I238 R239	A235-I237 VanDerWaalsContact C-N 3.25Å; A235-I237 PolarHBondContact O-N 2.57Å; A235-I238 PolarHBondContact O-N 2.84Å; A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-N 3.33Å; A235-R239 VanDerWaalsContact O-N 3.12Å
236	E	57.9	Low	70.5	Confident	122 Å²	122	117 Å²	117	57%	0.57	60%	0.597	S	S	*	*	H	α-helix	trans	-49.4	-42.4	167.7	-77.4	63.8	-141.6	0	0	113.1	S234 K240	S234-E236 PolarHBondContact O-N 3.2Å; S234-E236 VanDerWaalsContact O-N 3.1Å; E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 VanDerWaalsContact O-N 3.15Å
237	I	60.1	Low	69.2	Low	87 Å²	87	120.6 Å²	120.6	45%	0.446	61%	0.612	S	S	.	*	H	α-helix	trans	-72.5	-41.8	-172.9	-61.5	172.8	0	0	0	110.3	V233 S234 A235 K240	V233-I237 HydrophobicContact CG1-CB 3.91Å; V233-I237 HydrophobicContact CG1-CD1 3.94Å; V233-I237 HydrophobicContact CG1-CG1 4.48Å; V233-I237 HydrophobicContact CG1-CG2 4.02Å; S234-I237 PolarHBondContact O-N 2.92Å; A235-I237 VanDerWaalsContact C-N 3.25Å; A235-I237 PolarHBondContact O-N 2.57Å; I237-K240 PolarHBondContact O-N 3.42Å
238	I	61	Low	68	Low	106 Å²	106	121.3 Å²	121.3	54%	0.544	62%	0.615	S	S	.	*	H	α-helix	trans	-65.8	-40.8	177.3	-59	177.4	0	0	0	110.4	A235 K240 M241	A235-I238 PolarHBondContact O-N 2.84Å; I238-K240 PolarHBondContact O-N 3.32Å; I238-M241 PolarHBondContact O-N 3.06Å
239	R	63.4	Low	66.4	Low	192 Å²	192	123.3 Å²	123.3	73%	0.725	62%	0.623	S	S	*	*	H	α-helix	trans	-63.6	-26	175.4	-74.9	-178.7	172.6	-176.3	-2.3	113.5	A235	A235-R239 WeakPolarHBondContact O-CG 3.36Å; A235-R239 PolarHBondContact O-N 3.33Å; A235-R239 VanDerWaalsContact O-N 3.12Å
240	K	63.1	Low	64.8	Low	170 Å²	170	123.4 Å²	123.4	74%	0.739	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	2.8	177.9	-78.4	-170.9	172.6	-171.2	0	115.1	E236 I237 I238	E236-K240 WeakPolarHBondContact O-CG 3.38Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 VanDerWaalsContact O-N 3.15Å; I237-K240 PolarHBondContact O-N 3.42Å; I238-K240 PolarHBondContact O-N 3.32Å
241	M	65	Low	63	Low	159 Å²	159	127.2 Å²	127.2	78%	0.783	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	14.5	171.3	-64.3	-168.7	72.8	0	0	113	I238	I238-M241 PolarHBondContact O-N 3.06Å
242	Q	66.4	Low	61.7	Low	166 Å²	166	130.5 Å²	130.5	78%	0.776	66%	0.659	S	S	*	*			trans	-125.6	26.2	176.6	-65.6	-173.1	-33.4	0	0	111.9
243	Q	56.5	Low	61	Low	238 Å²	238	132.3 Å²	132.3	100%	1.112	65%	0.653	S	S	*	*			trans	-133.3	0	168.3	-67.8	-173.2	-15.3	0	0	107.9

Retrieved 243 of 243 residues in 237.9 ms (Link to these results)

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