A0A077YYK9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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	39.5	Very low	42.3	Very low	242 Å²	242	120.4 Å²	120.4	100%	1.192	62%	0.618	S	S	*	*				0	100.6	0	-70.2	173.4	-177	0	0	107.6	S3	M1-S3 PolarHBondContact O-N 2.83Å
2	A	40.1	Very low	43.5	Very low	56 Å²	56	113.9 Å²	113.9	46%	0.463	60%	0.604	S	S	.	*			trans	-65.2	130.1	175	0	0	0	0	0	109	Q6	A2-Q6 HydrophobicContact CB-CB 4.45Å
3	S	37	Very low	44.5	Very low	61 Å²	61	108.8 Å²	108.8	43%	0.427	58%	0.576	S	S	.	*			trans	-64.3	152.4	-176.5	68.1	0	0	0	0	110.8	M1 T5 Q6 R7	M1-S3 PolarHBondContact O-N 2.83Å; S3-T5 PolarHBondContact O-N 3.48Å; S3-T5 VanDerWaalsContact O-N 3.12Å; S3-Q6 WeakPolarHBondContact O-CB 3.19Å; S3-Q6 PolarHBondContact O-N 2.66Å; S3-R7 PolarHBondContact O-N 3.23Å
4	L	38.8	Very low	45.4	Very low	132 Å²	132	105.3 Å²	105.3	69%	0.691	56%	0.555	S	S	*	*	H	α-helix	trans	-50.7	-36	176.2	-91.7	133.2	0	0	0	112.3	Q6 R7 H8	L4-Q6 PolarHBondContact O-N 3.15Å; L4-R7 PolarHBondContact O-N 3.33Å; L4-H8 PolarHBondContact O-CD2 3.27Å; L4-H8 VanDerWaalsContact O-CD2 3.32Å; L4-H8 PolarHBondContact O-N 2.84Å; L4-H8 VanDerWaalsContact O-N 3.12Å
5	T	40.4	Very low	46.7	Very low	105 Å²	105	109.9 Å²	109.9	64%	0.644	56%	0.562	S	S	*	*	H	α-helix	trans	-60.3	-43.2	175.1	-32.4	0	0	0	0	111.7	S3 R7 H8 T9	S3-T5 PolarHBondContact O-N 3.48Å; S3-T5 VanDerWaalsContact O-N 3.12Å; T5-R7 VanDerWaalsContact C-N 3.32Å; T5-R7 PolarHBondContact O-N 3.31Å; T5-H8 PolarHBondContact O-N 2.96Å; T5-T9 PolarHBondContact O-N 3.4Å; T5-T9 VanDerWaalsContact O-N 3.11Å; T5-T9 PolarHBondContact O-OG1 2.72Å
6	Q	41.1	Very low	47.7	Very low	116 Å²	116	111.7 Å²	111.7	54%	0.542	56%	0.561	S	S	.	*	H	α-helix	trans	-65.7	-31.3	177.4	-76	179.5	-31.2	0	0	113.4	A2 S3 L4 K10	A2-Q6 HydrophobicContact CB-CB 4.45Å; S3-Q6 WeakPolarHBondContact O-CB 3.19Å; S3-Q6 PolarHBondContact O-N 2.66Å; L4-Q6 PolarHBondContact O-N 3.15Å; Q6-K10 PolarHBondContact O-N 2.92Å
7	R	39.4	Very low	48.4	Very low	167 Å²	167	105.2 Å²	105.2	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-70.7	-46.7	175.8	-68	-170.2	-161.9	-170.9	3.8	111.3	S3 L4 T5 T9 K10 D11	S3-R7 PolarHBondContact O-N 3.23Å; L4-R7 PolarHBondContact O-N 3.33Å; T5-R7 VanDerWaalsContact C-N 3.32Å; T5-R7 PolarHBondContact O-N 3.31Å; R7-T9 VanDerWaalsContact C-N 3.32Å; R7-T9 PolarHBondContact O-N 3.43Å; R7-K10 WeakPolarHBondContact O-CB 3.2Å; R7-K10 PolarHBondContact O-N 3.5Å; R7-K10 VanDerWaalsContact O-N 3.13Å; R7-D11 PolarHBondContact O-N 3.4Å
8	H	38.4	Very low	49.3	Very low	129 Å²	129	101.4 Å²	101.4	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-63.4	-35.9	179.1	-80.5	-68.9	0	0	0	113	L4 T5 K10 D11 G12	L4-H8 PolarHBondContact O-CD2 3.27Å; L4-H8 VanDerWaalsContact O-CD2 3.32Å; L4-H8 PolarHBondContact O-N 2.84Å; L4-H8 VanDerWaalsContact O-N 3.12Å; T5-H8 PolarHBondContact O-N 2.96Å; H8-K10 VanDerWaalsContact C-N 3.35Å; H8-D11 PolarHBondContact O-N 2.91Å; H8-G12 PolarHBondContact O-N 2.85Å; H8-G12 VanDerWaalsContact O-N 3.11Å
9	T	46.3	Very low	50.2	Low	83 Å²	83	99.8 Å²	99.8	51%	0.509	50%	0.501	S	S	.	.	H	α-helix	trans	-67.1	-36.9	175.2	-33.8	0	0	0	0	111.8	T5 R7 L13	T5-T9 PolarHBondContact O-N 3.4Å; T5-T9 VanDerWaalsContact O-N 3.11Å; T5-T9 PolarHBondContact O-OG1 2.72Å; R7-T9 VanDerWaalsContact C-N 3.32Å; R7-T9 PolarHBondContact O-N 3.43Å; T9-L13 HydrophobicContact CG2-CD1 4.18Å; T9-L13 WeakPolarHBondContact O-CD1 3.35Å; T9-L13 PolarHBondContact O-N 3.32Å
10	K	48.4	Very low	50.8	Low	139 Å²	139	98.8 Å²	98.8	60%	0.604	49%	0.492	S	S	*	.	H	α-helix	trans	-61.9	-47.3	173.5	-85.2	-169	170.9	-162.4	0	111.5	Q6 R7 H8 G12 L13 E14	Q6-K10 PolarHBondContact O-N 2.92Å; R7-K10 WeakPolarHBondContact O-CB 3.2Å; R7-K10 PolarHBondContact O-N 3.5Å; R7-K10 VanDerWaalsContact O-N 3.13Å; H8-K10 VanDerWaalsContact C-N 3.35Å; K10-G12 VanDerWaalsContact C-N 3.33Å; K10-G12 PolarHBondContact O-N 2.94Å; K10-L13 PolarHBondContact O-N 3.17Å; K10-E14 WeakPolarHBondContact O-CB 3.32Å; K10-E14 PolarHBondContact O-N 2.89Å
11	D	55.3	Low	51.1	Low	94 Å²	94	94.3 Å²	94.3	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-61.1	-40.5	-179.7	-67.4	-12.9	0	0	0	112.2	R7 H8 R15	R7-D11 PolarHBondContact O-N 3.4Å; H8-D11 PolarHBondContact O-N 2.91Å; D11-R15 VanDerWaalsContact O-CB 3.23Å; D11-R15 WeakPolarHBondContact O-CB 3.32Å; D11-R15 PolarHBondContact O-N 3.08Å
12	G	57.1	Low	52	Low	43 Å²	43	86.6 Å²	86.6	44%	0.443	43%	0.433	S	S	.	.	H	α-helix	trans	-67	-35.6	179.8	0	0	0	0	0	113.7	H8 K10 Y16	H8-G12 PolarHBondContact O-N 2.85Å; H8-G12 VanDerWaalsContact O-N 3.11Å; K10-G12 VanDerWaalsContact C-N 3.33Å; K10-G12 PolarHBondContact O-N 2.94Å; G12-Y16 WeakPolarHBondContact O-CB 3.37Å; G12-Y16 PolarHBondContact O-N 3.49Å
13	L	56.3	Low	52.8	Low	47 Å²	47	89.2 Å²	89.2	25%	0.246	44%	0.443	C	S	.	.	H	α-helix	trans	-83	-38.8	-178.5	-86.6	153.6	0	0	0	113.1	T9 K10 R15 Y16 T17 T50 L54	T9-L13 HydrophobicContact CG2-CD1 4.18Å; T9-L13 WeakPolarHBondContact O-CD1 3.35Å; T9-L13 PolarHBondContact O-N 3.32Å; K10-L13 PolarHBondContact O-N 3.17Å; L13-R15 PolarHBondContact O-N 3.27Å; L13-Y16 PolarHBondContact O-N 3.34Å; L13-T17 WeakPolarHBondContact O-CB 3.23Å; L13-T17 PolarHBondContact O-N 3.18Å; L13-T17 PolarHBondContact O-OG1 3.38Å; L13-T50 HydrophobicContact CD1-CG2 3.34Å; L13-T50 HydrophobicContact CD2-CG2 3.4Å; L13-T50 HydrophobicContact CG-CG2 3.89Å; L13-L54 HydrophobicContact CD2-CD1 4.45Å
14	E	57.1	Low	53.4	Low	60 Å²	60	91.6 Å²	91.6	28%	0.28	45%	0.448	S	S	.	.	H	α-helix	trans	-56.3	-46.3	169	177.4	169.5	-170.2	0	0	109.3	K10 T17 F18 F43	K10-E14 WeakPolarHBondContact O-CB 3.32Å; K10-E14 PolarHBondContact O-N 2.89Å; E14-T17 PolarHBondContact O-N 2.82Å; E14-F18 HydrophobicContact CG-CD2 3.76Å; E14-F18 HydrophobicContact CG-CE2 3.21Å; E14-F18 HydrophobicContact CG-CZ 3.98Å; E14-F18 WeakPolarHBondContact O-CD2 3.36Å; E14-F18 WeakPolarHBondContact O-CG 3.39Å; E14-F18 PolarHBondContact O-N 3.43Å; E14-F18 WeakPolarHBondContact OE1-CE2 3.22Å; E14-F43 HydrophobicContact CG-CD2 4.2Å; E14-F43 HydrophobicContact CG-CE2 4.15Å
15	R	64.9	Low	54.2	Low	174 Å²	174	94.1 Å²	94.1	66%	0.657	46%	0.462	S	S	*	.	H	α-helix	trans	-60.3	-48.5	173.1	-172.4	170.8	179.2	169.3	0.5	113.2	D11 L13 T17 F18 D19	D11-R15 VanDerWaalsContact O-CB 3.23Å; D11-R15 WeakPolarHBondContact O-CB 3.32Å; D11-R15 PolarHBondContact O-N 3.08Å; L13-R15 PolarHBondContact O-N 3.27Å; R15-T17 VanDerWaalsContact C-N 3.27Å; R15-T17 PolarHBondContact O-N 2.88Å; R15-F18 CarbonylContact O-C 3.58Å; R15-F18 PolarHBondContact O-N 3.22Å; R15-F18 VanDerWaalsContact O-N 3.13Å; R15-D19 WeakPolarHBondContact O-CB 3.43Å; R15-D19 PolarHBondContact O-N 3.43Å
16	Y	62.8	Low	55.2	Low	139 Å²	139	91.3 Å²	91.3	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-59.8	-38.4	177.3	-177	-92.9	0	0	0	112.5	G12 L13 D19 Y20 L54	G12-Y16 WeakPolarHBondContact O-CB 3.37Å; G12-Y16 PolarHBondContact O-N 3.49Å; L13-Y16 PolarHBondContact O-N 3.34Å; Y16-D19 PolarHBondContact O-N 2.68Å; Y16-Y20 WeakPolarHBondContact O-CB 3.23Å; Y16-Y20 PolarHBondContact O-N 3.45Å; Y16-L54 HydrophobicContact CD1-CD2 4.15Å; Y16-L54 HydrophobicContact CE1-CD2 4.4Å
17	T	60.4	Low	56.1	Low	1 Å²	1	86.9 Å²	86.9	1%	0.006	43%	0.428	C	S	.	.	H	α-helix	trans	-65.9	-41.4	177.1	-51.8	0	0	0	0	110.7	L13 E14 R15 Y20 L21 L39 F43 L54 A57	L13-T17 WeakPolarHBondContact O-CB 3.23Å; L13-T17 PolarHBondContact O-N 3.18Å; L13-T17 PolarHBondContact O-OG1 3.38Å; E14-T17 PolarHBondContact O-N 2.82Å; R15-T17 VanDerWaalsContact C-N 3.27Å; R15-T17 PolarHBondContact O-N 2.88Å; T17-Y20 PolarHBondContact O-N 2.98Å; T17-L21 PolarHBondContact O-N 3.48Å; T17-L39 HydrophobicContact CG2-CD1 3.73Å; T17-F43 HydrophobicContact CG2-CZ 3.97Å; T17-L54 HydrophobicContact CG2-CD2 4.42Å; T17-A57 HydrophobicContact CG2-CB 3.28Å
18	F	63.6	Low	57.2	Low	37 Å²	37	80.7 Å²	80.7	16%	0.162	41%	0.409	C	S	.	.	H	α-helix	trans	-67.5	-40.6	174.2	-67.8	-45.7	0	0	0	112.8	E14 R15 Y20 L21 D22 R36 L39 A40 F43	E14-F18 HydrophobicContact CG-CD2 3.76Å; E14-F18 HydrophobicContact CG-CE2 3.21Å; E14-F18 HydrophobicContact CG-CZ 3.98Å; E14-F18 WeakPolarHBondContact O-CD2 3.36Å; E14-F18 WeakPolarHBondContact O-CG 3.39Å; E14-F18 PolarHBondContact O-N 3.43Å; E14-F18 WeakPolarHBondContact OE1-CE2 3.22Å; R15-F18 CarbonylContact O-C 3.58Å; R15-F18 PolarHBondContact O-N 3.22Å; R15-F18 VanDerWaalsContact O-N 3.13Å; F18-Y20 VanDerWaalsContact C-N 3.29Å; F18-Y20 PolarHBondContact O-N 3.31Å; F18-L21 HydrophobicContact CD1-CD1 4.17Å; F18-L21 WeakPolarHBondContact O-CB 3.28Å; F18-L21 PolarHBondContact O-N 3.38Å; F18-L21 VanDerWaalsContact O-N 3.12Å; F18-D22 PolarHBondContact O-N 2.9Å; F18-R36 HydrophobicContact CD1-CB 4.14Å; F18-R36 HydrophobicContact CD1-CG 3.69Å; F18-R36 HydrophobicContact CE1-CB 3.87Å; F18-R36 HydrophobicContact CE1-CG 3.97Å; F18-R36 WeakPolarHBondContact CE1-O 3.33Å; F18-L39 HydrophobicContact CD1-CD1 4.49Å; F18-L39 HydrophobicContact CE1-CB 4.04Å; F18-L39 HydrophobicContact CE1-CD1 4.36Å; F18-A40 HydrophobicContact CZ-CB 4.25Å; F18-F43 HydrophobicContact CZ-CE2 4.34Å
19	D	66.8	Low	58.6	Low	72 Å²	72	79.2 Å²	79.2	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-40.2	173.8	-65.3	-18.7	0	0	0	110	R15 Y16 L21 D22 V23	R15-D19 WeakPolarHBondContact O-CB 3.43Å; R15-D19 PolarHBondContact O-N 3.43Å; Y16-D19 PolarHBondContact O-N 2.68Å; D19-L21 VanDerWaalsContact C-N 3.29Å; D19-L21 PolarHBondContact O-N 2.95Å; D19-D22 WeakPolarHBondContact O-CB 3.47Å; D19-D22 PolarHBondContact O-N 3.26Å; D19-V23 WeakPolarHBondContact O-CB 3.41Å; D19-V23 WeakPolarHBondContact O-CG2 3.24Å; D19-V23 PolarHBondContact O-N 3.14Å
20	Y	62.4	Low	59.4	Low	79 Å²	79	80 Å²	80	31%	0.31	41%	0.411	S	S	.	.	H	α-helix	trans	-63.7	-30.9	175.2	180	-96.3	0	0	0	113.6	Y16 T17 F18 D22 K61	Y16-Y20 WeakPolarHBondContact O-CB 3.23Å; Y16-Y20 PolarHBondContact O-N 3.45Å; T17-Y20 PolarHBondContact O-N 2.98Å; F18-Y20 VanDerWaalsContact C-N 3.29Å; F18-Y20 PolarHBondContact O-N 3.31Å; Y20-D22 VanDerWaalsContact C-N 3.31Å; Y20-K61 HydrophobicContact CD1-CD 4.39Å; Y20-K61 HydrophobicContact CE1-CD 3.97Å; Y20-K61 PolarHBondContact O-NZ 3.22Å
21	L	56.7	Low	60.1	Low	4 Å²	4	74.3 Å²	74.3	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-67.6	-35.2	171.7	-66.9	178.6	0	0	0	111.8	T17 F18 D19 V35 R36 L39 K61	T17-L21 PolarHBondContact O-N 3.48Å; F18-L21 HydrophobicContact CD1-CD1 4.17Å; F18-L21 WeakPolarHBondContact O-CB 3.28Å; F18-L21 PolarHBondContact O-N 3.38Å; F18-L21 VanDerWaalsContact O-N 3.12Å; D19-L21 VanDerWaalsContact C-N 3.29Å; D19-L21 PolarHBondContact O-N 2.95Å; L21-V35 HydrophobicContact CD1-CB 4.29Å; L21-V35 HydrophobicContact CD1-CG1 3.52Å; L21-V35 HydrophobicContact CD2-CG1 3.66Å; L21-V35 HydrophobicContact CG-CG1 4.24Å; L21-R36 HydrophobicContact CD1-CG 4.06Å; L21-L39 HydrophobicContact CD1-CD1 3.56Å; L21-L39 HydrophobicContact CD2-CD1 4.45Å; L21-L39 HydrophobicContact CG-CD1 4.2Å; L21-K61 HydrophobicContact CD2-CB 3.84Å; L21-K61 HydrophobicContact CD2-CD 4.01Å; L21-K61 HydrophobicContact CD2-CG 3.9Å
22	D	58.3	Low	60.7	Low	81 Å²	81	70.9 Å²	70.9	43%	0.433	37%	0.37	S	S	.	.	H	α-helix	trans	-78.8	-27.1	-179.4	-67.7	-6.5	0	0	0	113.3	F18 D19 Y20 E24 R36	F18-D22 PolarHBondContact O-N 2.9Å; D19-D22 WeakPolarHBondContact O-CB 3.47Å; D19-D22 PolarHBondContact O-N 3.26Å; Y20-D22 VanDerWaalsContact C-N 3.31Å; D22-E24 PolarHBondContact O-N 2.87Å; D22-R36 IonicContact OD1-CZ 3.52Å; D22-R36 IonicContact OD1-NE 3.61Å; D22-R36 IonicContact OD1-NH2 3.87Å; D22-R36 PolarHBondContact OD1-NH2 3.38Å; D22-R36 IonicContact OD2-CZ 2.69Å; D22-R36 IonicContact OD2-NH2 3.86Å; D22-R36 PolarHBondContact OD2-NH2 2.99Å
23	V	56.8	Low	61	Low	110 Å²	110	72.6 Å²	72.6	67%	0.667	37%	0.373	S	S	*	.	S	Bend	trans	-79.8	-1.8	-164.5	163.9	0	0	0	0	115.7	D19	D19-V23 WeakPolarHBondContact O-CB 3.41Å; D19-V23 WeakPolarHBondContact O-CG2 3.24Å; D19-V23 PolarHBondContact O-N 3.14Å
24	E	51	Low	61.4	Low	112 Å²	112	74.4 Å²	74.4	52%	0.523	38%	0.383	S	S	.	.	S	Bend	trans	-138.6	132.3	173.9	-70.9	179.9	151	0	0	111.2	D22 S26 K61	D22-E24 PolarHBondContact O-N 2.87Å; E24-S26 PolarHBondContact O-N 3.32Å; E24-K61 IonicContact OE2-NZ 3.79Å
25	D	54.9	Low	61.8	Low	185 Å²	185	71.7 Å²	71.7	99%	0.989	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	22.7	179.6	-70.5	-47.3	0	0	0	116.1
26	S	60.7	Low	61.9	Low	45 Å²	45	68 Å²	68	32%	0.315	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-0.9	-173.4	74.9	0	0	0	0	113.9	E24 C65	E24-S26 PolarHBondContact O-N 3.32Å; S26-C65 CarbonylContact O-C 3.59Å; S26-C65 VanDerWaalsContact O-CB 3.32Å; S26-C65 WeakPolarHBondContact O-CB 3.46Å
27	C	60.6	Low	62	Low	24 Å²	24	66.2 Å²	66.2	16%	0.162	35%	0.351	C	S	.	.	S	Bend	trans	-117.5	120.8	-179.1	-153.1	0	0	0	0	112.4	S29 V32 C65	C27-S29 PolarHBondContact O-N 2.86Å; C27-V32 HydrophobicContact CB-CG2 3.92Å; C27-C65 HydrophobicContact CB-CB 3.4Å; C27-C65 WeakPolarHBondContact CB-SG 3.45Å; C27-C65 WeakPolarHBondContact SG-CB 3.38Å; C27-C65 CovalentContact SG-SG 2.03Å; C27-C65 PolarHBondContact SG-SG 3.27Å
28	P	63.2	Low	62.2	Low	36 Å²	36	66.1 Å²	66.1	23%	0.234	35%	0.351	C	S	.	.			trans	-52.7	134.5	169.4	-24.8	34	0	0	0	110.5	E30 N31 V32 C65	P28-E30 VanDerWaalsContact CB-CD 3.49Å; P28-E30 HydrophobicContact CB-CG 4.43Å; P28-E30 WeakPolarHBondContact CB-OE1 2.97Å; P28-E30 WeakPolarHBondContact CB-OE2 3.34Å; P28-E30 PolarHBondContact O-N 3.05Å; P28-E30 VanDerWaalsContact O-N 3.11Å; P28-N31 WeakPolarHBondContact O-CA 3.43Å; P28-N31 WeakPolarHBondContact O-CB 3.44Å; P28-N31 PolarHBondContact O-N 3.26Å; P28-V32 PolarHBondContact O-N 3.39Å; P28-C65 WeakPolarHBondContact CD-O 3.4Å
29	S	66.9	Low	62.4	Low	98 Å²	98	64.6 Å²	64.6	69%	0.685	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.9	-172.7	63.8	0	0	0	0	113.3	C27 N31 V32 P33	C27-S29 PolarHBondContact O-N 2.86Å; S29-N31 VanDerWaalsContact C-N 3.29Å; S29-N31 PolarHBondContact O-N 2.98Å; S29-V32 PolarHBondContact O-N 3.02Å; S29-P33 WeakPolarHBondContact O-CD 3.48Å
30	E	63.4	Low	62.4	Low	100 Å²	100	62.8 Å²	62.8	47%	0.467	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.9	175.8	67.9	-86	-164.7	0	0	113.4	P28 S69	P28-E30 VanDerWaalsContact CB-CD 3.49Å; P28-E30 HydrophobicContact CB-CG 4.43Å; P28-E30 WeakPolarHBondContact CB-OE1 2.97Å; P28-E30 WeakPolarHBondContact CB-OE2 3.34Å; P28-E30 PolarHBondContact O-N 3.05Å; P28-E30 VanDerWaalsContact O-N 3.11Å; E30-S69 PolarHBondContact OE1-OG 3.21Å
31	N	63.5	Low	62.4	Low	19 Å²	19	62.1 Å²	62.1	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-85.2	-25.3	179	-69.8	-15.9	0	0	0	112	P28 S29 L34 V35 R64	P28-N31 WeakPolarHBondContact O-CA 3.43Å; P28-N31 WeakPolarHBondContact O-CB 3.44Å; P28-N31 PolarHBondContact O-N 3.26Å; S29-N31 VanDerWaalsContact C-N 3.29Å; S29-N31 PolarHBondContact O-N 2.98Å; N31-L34 WeakPolarHBondContact O-CB 3.43Å; N31-L34 PolarHBondContact O-N 2.9Å; N31-L34 VanDerWaalsContact O-N 3.12Å; N31-V35 WeakPolarHBondContact O-CG2 3.33Å; N31-V35 PolarHBondContact O-N 3.2Å; N31-R64 PolarHBondContact ND2-O 3.28Å
32	V	66.9	Low	62.6	Low	23 Å²	23	63.4 Å²	63.4	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-56.6	-49.3	-179	176.1	0	0	0	0	112.2	C27 P28 S29 L34 V35 R36	C27-V32 HydrophobicContact CB-CG2 3.92Å; P28-V32 PolarHBondContact O-N 3.39Å; S29-V32 PolarHBondContact O-N 3.02Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.26Å; V32-V35 PolarHBondContact O-N 2.92Å; V32-R36 HydrophobicContact CG1-CG 4.35Å; V32-R36 WeakPolarHBondContact O-CB 3.45Å; V32-R36 VanDerWaalsContact O-CG 3.28Å; V32-R36 WeakPolarHBondContact O-CG 3.41Å; V32-R36 PolarHBondContact O-N 3.41Å
33	P	64.7	Low	62.8	Low	79 Å²	79	61 Å²	61	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-37.9	175.6	-23.4	33.4	0	0	0	113.5	S29 R36 K37	S29-P33 WeakPolarHBondContact O-CD 3.48Å; P33-R36 PolarHBondContact O-N 3.48Å; P33-K37 WeakPolarHBondContact O-CB 3.04Å; P33-K37 PolarHBondContact O-N 2.75Å
34	L	63.1	Low	63.2	Low	85 Å²	85	59.9 Å²	59.9	45%	0.445	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-50.7	177.9	-68	172.8	0	0	0	110.2	N31 V32 R36 K37 C38 I147	N31-L34 WeakPolarHBondContact O-CB 3.43Å; N31-L34 PolarHBondContact O-N 2.9Å; N31-L34 VanDerWaalsContact O-N 3.12Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 3.26Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 2.83Å; L34-K37 PolarHBondContact O-N 2.91Å; L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.95Å; L34-I147 HydrophobicContact CD2-CG2 3.61Å
35	V	66.3	Low	63.7	Low	2 Å²	2	62.9 Å²	62.9	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-59.5	-43.3	176.8	178.9	0	0	0	0	110.4	L21 N31 V32 C38 L39 I60 R64	L21-V35 HydrophobicContact CD1-CB 4.29Å; L21-V35 HydrophobicContact CD1-CG1 3.52Å; L21-V35 HydrophobicContact CD2-CG1 3.66Å; L21-V35 HydrophobicContact CG-CG1 4.24Å; N31-V35 WeakPolarHBondContact O-CG2 3.33Å; N31-V35 PolarHBondContact O-N 3.2Å; V32-V35 PolarHBondContact O-N 2.92Å; V35-C38 WeakPolarHBondContact O-CB 3.41Å; V35-C38 PolarHBondContact O-N 3Å; V35-L39 HydrophobicContact CG1-CD1 4.5Å; V35-L39 HydrophobicContact CG1-CG 4.46Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 3.45Å; V35-I60 HydrophobicContact CG1-CG2 3.96Å; V35-I60 HydrophobicContact CG2-CG2 4.36Å; V35-R64 HydrophobicContact CG2-CB 3.73Å; V35-R64 HydrophobicContact CG2-CG 4.28Å
36	R	67	Low	63.9	Low	97 Å²	97	55.2 Å²	55.2	37%	0.366	31%	0.309	S	S	.	.	H	α-helix	trans	-61.3	-50.6	177.4	-74.7	-179.2	179	-179.6	-1.1	112.8	F18 L21 D22 V32 P33 L34 C38 L39 A40	F18-R36 HydrophobicContact CD1-CB 4.14Å; F18-R36 HydrophobicContact CD1-CG 3.69Å; F18-R36 HydrophobicContact CE1-CB 3.87Å; F18-R36 HydrophobicContact CE1-CG 3.97Å; F18-R36 WeakPolarHBondContact CE1-O 3.33Å; L21-R36 HydrophobicContact CD1-CG 4.06Å; D22-R36 IonicContact OD1-CZ 3.52Å; D22-R36 IonicContact OD1-NE 3.61Å; D22-R36 IonicContact OD1-NH2 3.87Å; D22-R36 PolarHBondContact OD1-NH2 3.38Å; D22-R36 IonicContact OD2-CZ 2.69Å; D22-R36 IonicContact OD2-NH2 3.86Å; D22-R36 PolarHBondContact OD2-NH2 2.99Å; V32-R36 HydrophobicContact CG1-CG 4.35Å; V32-R36 WeakPolarHBondContact O-CB 3.45Å; V32-R36 VanDerWaalsContact O-CG 3.28Å; V32-R36 WeakPolarHBondContact O-CG 3.41Å; V32-R36 PolarHBondContact O-N 3.41Å; P33-R36 PolarHBondContact O-N 3.48Å; L34-R36 VanDerWaalsContact C-N 3.3Å; L34-R36 PolarHBondContact O-N 2.83Å; R36-C38 PolarHBondContact O-N 3.45Å; R36-L39 PolarHBondContact O-N 3.44Å; R36-A40 WeakPolarHBondContact O-CB 3.29Å; R36-A40 PolarHBondContact O-N 3.29Å
37	K	65.1	Low	63.8	Low	101 Å²	101	62.5 Å²	62.5	44%	0.439	34%	0.338	S	S	.	.	H	α-helix	trans	-58.5	-37.6	176.2	-175.9	178.4	169.6	-162.7	0	110.6	P33 L34 N41 I147	P33-K37 WeakPolarHBondContact O-CB 3.04Å; P33-K37 PolarHBondContact O-N 2.75Å; L34-K37 PolarHBondContact O-N 2.91Å; K37-N41 PolarHBondContact O-N 3.49Å; K37-N41 VanDerWaalsContact O-N 3.11Å; K37-I147 HydrophobicContact CB-CD1 4.06Å; K37-I147 HydrophobicContact CD-CB 4.34Å; K37-I147 HydrophobicContact CD-CD1 4.18Å; K37-I147 HydrophobicContact CD-CG1 4Å; K37-I147 HydrophobicContact CD-CG2 3.71Å; K37-I147 HydrophobicContact CG-CD1 3.8Å; K37-I147 HydrophobicContact CG-CG1 4.07Å; K37-I147 HydrophobicContact CG-CG2 4.45Å; K37-I147 PolarHBondContact NZ-O 2.75Å
38	C	63.5	Low	63.9	Low	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-47.2	179.3	-149.2	0	0	0	0	112.3	L34 V35 R36 N41 T42 F143 C144 I147	L34-C38 WeakPolarHBondContact O-CB 3.4Å; L34-C38 PolarHBondContact O-N 2.95Å; V35-C38 WeakPolarHBondContact O-CB 3.41Å; V35-C38 PolarHBondContact O-N 3Å; R36-C38 PolarHBondContact O-N 3.45Å; C38-N41 PolarHBondContact O-N 3.42Å; C38-T42 PolarHBondContact O-N 3.15Å; C38-T42 PolarHBondContact O-OG1 3.27Å; C38-F143 VanDerWaalsContact C-CE1 3.48Å; C38-F143 HydrophobicContact CB-CD1 4.05Å; C38-F143 HydrophobicContact CB-CE1 4.18Å; C38-F143 VanDerWaalsContact O-CE1 3.24Å; C38-F143 WeakPolarHBondContact O-CE1 3.07Å; C38-F143 WeakPolarHBondContact SG-CD1 3.42Å; C38-F143 PolarHBondContact SG-O 3.4Å; C38-C144 HydrophobicContact CB-CB 4.29Å; C38-C144 WeakPolarHBondContact CB-SG 3.36Å; C38-C144 WeakPolarHBondContact SG-CA 3.35Å; C38-C144 WeakPolarHBondContact SG-CB 3.37Å; C38-C144 PolarHBondContact SG-N 3.15Å; C38-C144 VanDerWaalsContact SG-N 3.36Å; C38-C144 CovalentContact SG-SG 2.04Å; C38-C144 PolarHBondContact SG-SG 2.99Å; C38-I147 VanDerWaalsContact CA-CD1 3.42Å; C38-I147 HydrophobicContact CB-CD1 3.6Å
39	L	67.5	Low	63.8	Low	4 Å²	4	66.4 Å²	66.4	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-45	173.8	-64.3	-177.5	0	0	0	112.5	T17 F18 L21 V35 R36 N41 T42 F43 A57 I60 F143	T17-L39 HydrophobicContact CG2-CD1 3.73Å; F18-L39 HydrophobicContact CD1-CD1 4.49Å; F18-L39 HydrophobicContact CE1-CB 4.04Å; F18-L39 HydrophobicContact CE1-CD1 4.36Å; L21-L39 HydrophobicContact CD1-CD1 3.56Å; L21-L39 HydrophobicContact CD2-CD1 4.45Å; L21-L39 HydrophobicContact CG-CD1 4.2Å; V35-L39 HydrophobicContact CG1-CD1 4.5Å; V35-L39 HydrophobicContact CG1-CG 4.46Å; V35-L39 WeakPolarHBondContact O-CG 3.39Å; V35-L39 PolarHBondContact O-N 3.45Å; R36-L39 PolarHBondContact O-N 3.44Å; L39-N41 VanDerWaalsContact C-N 3.3Å; L39-N41 PolarHBondContact O-N 3.43Å; L39-T42 WeakPolarHBondContact O-CA 3.21Å; L39-T42 WeakPolarHBondContact O-CB 3.34Å; L39-T42 PolarHBondContact O-N 3.33Å; L39-F43 HydrophobicContact CB-CD2 4.04Å; L39-F43 HydrophobicContact CB-CE2 3.62Å; L39-F43 WeakPolarHBondContact O-CD2 3.44Å; L39-F43 WeakPolarHBondContact O-CG 3.46Å; L39-F43 PolarHBondContact O-N 2.83Å; L39-A57 HydrophobicContact CD1-CB 3.74Å; L39-A57 HydrophobicContact CD2-CB 3.69Å; L39-A57 HydrophobicContact CG-CB 4.41Å; L39-I60 HydrophobicContact CD2-CD1 3.54Å; L39-F143 HydrophobicContact CD2-CE1 3.94Å; L39-F143 HydrophobicContact CD2-CZ 4.08Å
40	A	67.1	Low	63.6	Low	34 Å²	34	65.1 Å²	65.1	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-53.4	-46.4	178.5	0	0	0	0	0	112	F18 R36 T42 F43 A44	F18-A40 HydrophobicContact CZ-CB 4.25Å; R36-A40 WeakPolarHBondContact O-CB 3.29Å; R36-A40 PolarHBondContact O-N 3.29Å; A40-T42 VanDerWaalsContact C-N 3.25Å; A40-T42 PolarHBondContact O-N 3.34Å; A40-F43 PolarHBondContact O-N 3.07Å; A40-A44 PolarHBondContact O-N 3.16Å
41	N	63.9	Low	63.5	Low	66 Å²	66	67 Å²	67	35%	0.353	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-35.4	177	-79.1	-15.7	0	0	0	112.5	K37 C38 L39 K45	K37-N41 PolarHBondContact O-N 3.49Å; K37-N41 VanDerWaalsContact O-N 3.11Å; C38-N41 PolarHBondContact O-N 3.42Å; L39-N41 VanDerWaalsContact C-N 3.3Å; L39-N41 PolarHBondContact O-N 3.43Å; N41-K45 WeakPolarHBondContact O-CG 3.34Å; N41-K45 PolarHBondContact O-N 3.48Å; N41-K45 VanDerWaalsContact O-N 3.12Å
42	T	59.5	Low	63.5	Low	30 Å²	30	69.6 Å²	69.6	18%	0.184	37%	0.365	C	S	.	.	H	α-helix	trans	-78.1	-38.7	179.5	-68	0	0	0	0	113.1	C38 L39 A40 A44 K45 S46 F143	C38-T42 PolarHBondContact O-N 3.15Å; C38-T42 PolarHBondContact O-OG1 3.27Å; L39-T42 WeakPolarHBondContact O-CA 3.21Å; L39-T42 WeakPolarHBondContact O-CB 3.34Å; L39-T42 PolarHBondContact O-N 3.33Å; A40-T42 VanDerWaalsContact C-N 3.25Å; A40-T42 PolarHBondContact O-N 3.34Å; T42-A44 PolarHBondContact O-N 2.62Å; T42-K45 PolarHBondContact O-N 3.08Å; T42-S46 WeakPolarHBondContact O-CB 3.43Å; T42-S46 PolarHBondContact O-N 3.3Å; T42-S46 PolarHBondContact O-OG 3.32Å; T42-F143 HydrophobicContact CG2-CD2 4.38Å; T42-F143 HydrophobicContact CG2-CE2 3.24Å; T42-F143 HydrophobicContact CG2-CZ 3.35Å; T42-F143 WeakPolarHBondContact OG1-CD2 3.32Å; T42-F143 WeakPolarHBondContact OG1-CE1 3.26Å; T42-F143 WeakPolarHBondContact OG1-CE2 3.13Å; T42-F143 WeakPolarHBondContact OG1-CZ 3.15Å
43	F	63.8	Low	63.3	Low	31 Å²	31	69.9 Å²	69.9	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-57.3	-37.4	170.8	-71.5	-70	0	0	0	111.1	E14 T17 F18 L39 A40 I53	E14-F43 HydrophobicContact CG-CD2 4.2Å; E14-F43 HydrophobicContact CG-CE2 4.15Å; T17-F43 HydrophobicContact CG2-CZ 3.97Å; F18-F43 HydrophobicContact CZ-CE2 4.34Å; L39-F43 HydrophobicContact CB-CD2 4.04Å; L39-F43 HydrophobicContact CB-CE2 3.62Å; L39-F43 WeakPolarHBondContact O-CD2 3.44Å; L39-F43 WeakPolarHBondContact O-CG 3.46Å; L39-F43 PolarHBondContact O-N 2.83Å; A40-F43 PolarHBondContact O-N 3.07Å; F43-I53 HydrophobicContact CD1-CD1 4.1Å; F43-I53 HydrophobicContact CD1-CG2 3.64Å; F43-I53 HydrophobicContact CE1-CB 4.33Å; F43-I53 HydrophobicContact CE1-CD1 4.35Å; F43-I53 HydrophobicContact CE1-CG2 2.97Å; F43-I53 HydrophobicContact CZ-CG2 3.59Å
44	A	64.7	Low	63.2	Low	87 Å²	87	68.5 Å²	68.5	72%	0.719	35%	0.354	S	S	*	.	H	α-helix	trans	-71.7	-36.1	177.4	0	0	0	0	0	113.4	A40 T42	A40-A44 PolarHBondContact O-N 3.16Å; T42-A44 PolarHBondContact O-N 2.62Å
45	K	62.1	Low	63.3	Low	175 Å²	175	67.6 Å²	67.6	76%	0.761	35%	0.349	S	S	*	.	H	α-helix	trans	-88.9	-26.7	-175.4	-71.8	177.3	-177.3	178.9	0	114.5	N41 T42	N41-K45 WeakPolarHBondContact O-CG 3.34Å; N41-K45 PolarHBondContact O-N 3.48Å; N41-K45 VanDerWaalsContact O-N 3.12Å; T42-K45 PolarHBondContact O-N 3.08Å
46	S	58.5	Low	63.3	Low	23 Å²	23	68.1 Å²	68.1	16%	0.161	35%	0.351	C	S	.	.			trans	-99.6	136.9	-169.2	73.3	0	0	0	0	113.8	T42	T42-S46 WeakPolarHBondContact O-CB 3.43Å; T42-S46 PolarHBondContact O-N 3.3Å; T42-S46 PolarHBondContact O-OG 3.32Å
47	H	58.3	Low	63.2	Low	199 Å²	199	63.5 Å²	63.5	92%	0.921	33%	0.334	S	S	*	.			trans	-89	17.4	164.9	-67.4	-66.6	0	0	0	112.1
48	K	62.3	Low	63.2	Low	81 Å²	81	64 Å²	64	35%	0.352	34%	0.336	S	S	.	.			trans	-67.5	157	-174.7	-72.9	-170.7	-178.9	-168.1	0	111.6	D52 I53 E139	K48-D52 HydrophobicContact CB-CB 4.1Å; K48-D52 HydrophobicContact CD-CB 4.32Å; K48-I53 HydrophobicContact CB-CG1 4.36Å; K48-E139 IonicContact NZ-OE1 3.66Å; K48-E139 PolarHBondContact NZ-OE1 2.9Å; K48-E139 IonicContact NZ-OE2 2.91Å; K48-E139 PolarHBondContact NZ-OE2 3.04Å
49	S	61.6	Low	63.5	Low	60 Å²	60	67.7 Å²	67.7	42%	0.42	36%	0.356	S	S	.	.			trans	-67.1	155.6	177.3	81.2	0	0	0	0	110.3	F51 D52 I53	S49-F51 PolarHBondContact O-N 3.16Å; S49-F51 VanDerWaalsContact O-N 3.16Å; S49-D52 WeakPolarHBondContact CB-OD2 3.06Å; S49-D52 PolarHBondContact N-OD2 3.14Å; S49-D52 PolarHBondContact O-N 3.42Å; S49-D52 VanDerWaalsContact O-N 3.15Å; S49-D52 PolarHBondContact OG-N 3.25Å; S49-D52 PolarHBondContact OG-OD2 3.44Å; S49-I53 WeakPolarHBondContact O-CG1 3.43Å; S49-I53 PolarHBondContact O-N 3.3Å
50	T	62	Low	63.3	Low	71 Å²	71	67.7 Å²	67.7	44%	0.436	36%	0.356	S	S	.	.	H	α-helix	trans	-53.2	-35.1	176.6	-60.5	0	0	0	0	113.3	L13 I53 L54	L13-T50 HydrophobicContact CD1-CG2 3.34Å; L13-T50 HydrophobicContact CD2-CG2 3.4Å; L13-T50 HydrophobicContact CG-CG2 3.89Å; T50-I53 WeakPolarHBondContact O-CB 3.29Å; T50-L54 HydrophobicContact CG2-CD1 4.49Å; T50-L54 PolarHBondContact O-N 2.92Å
51	F	63	Low	63.1	Low	139 Å²	139	66.5 Å²	66.5	61%	0.61	34%	0.344	S	S	*	.	H	α-helix	trans	-70.6	-42.3	-179.2	-175.1	-102.8	0	0	0	111.8	S49 I53 L54 N55	S49-F51 PolarHBondContact O-N 3.16Å; S49-F51 VanDerWaalsContact O-N 3.16Å; F51-I53 PolarHBondContact O-N 3.38Å; F51-L54 PolarHBondContact O-N 3.19Å; F51-N55 WeakPolarHBondContact CD1-ND2 3.36Å; F51-N55 WeakPolarHBondContact CE1-ND2 3.42Å; F51-N55 PolarHBondContact O-N 2.96Å; F51-N55 VanDerWaalsContact O-N 3.07Å
52	D	62.5	Low	63.2	Low	74 Å²	74	66.2 Å²	66.2	40%	0.396	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-38.7	178	-55.7	-40.3	0	0	0	111.3	K48 S49 N55 K56	K48-D52 HydrophobicContact CB-CB 4.1Å; K48-D52 HydrophobicContact CD-CB 4.32Å; S49-D52 WeakPolarHBondContact CB-OD2 3.06Å; S49-D52 PolarHBondContact N-OD2 3.14Å; S49-D52 PolarHBondContact O-N 3.42Å; S49-D52 VanDerWaalsContact O-N 3.15Å; S49-D52 PolarHBondContact OG-N 3.25Å; S49-D52 PolarHBondContact OG-OD2 3.44Å; D52-N55 PolarHBondContact O-N 3.39Å; D52-K56 WeakPolarHBondContact O-CB 3.37Å; D52-K56 PolarHBondContact O-N 3.48Å
53	I	62	Low	63.3	Low	29 Å²	29	67.5 Å²	67.5	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-47.6	177.5	-74.5	171.5	0	0	0	111.7	F43 K48 S49 T50 F51 K56 A57	F43-I53 HydrophobicContact CD1-CD1 4.1Å; F43-I53 HydrophobicContact CD1-CG2 3.64Å; F43-I53 HydrophobicContact CE1-CB 4.33Å; F43-I53 HydrophobicContact CE1-CD1 4.35Å; F43-I53 HydrophobicContact CE1-CG2 2.97Å; F43-I53 HydrophobicContact CZ-CG2 3.59Å; K48-I53 HydrophobicContact CB-CG1 4.36Å; S49-I53 WeakPolarHBondContact O-CG1 3.43Å; S49-I53 PolarHBondContact O-N 3.3Å; T50-I53 WeakPolarHBondContact O-CB 3.29Å; F51-I53 PolarHBondContact O-N 3.38Å; I53-K56 PolarHBondContact O-N 3.46Å; I53-A57 PolarHBondContact O-N 2.87Å
54	L	63.9	Low	63.2	Low	51 Å²	51	70 Å²	70	27%	0.267	36%	0.359	S	S	.	.	H	α-helix	trans	-63.3	-42	178.3	-83.5	165.4	0	0	0	111.6	L13 Y16 T17 T50 F51 K56 A57 K58	L13-L54 HydrophobicContact CD2-CD1 4.45Å; Y16-L54 HydrophobicContact CD1-CD2 4.15Å; Y16-L54 HydrophobicContact CE1-CD2 4.4Å; T17-L54 HydrophobicContact CG2-CD2 4.42Å; T50-L54 HydrophobicContact CG2-CD1 4.49Å; T50-L54 PolarHBondContact O-N 2.92Å; F51-L54 PolarHBondContact O-N 3.19Å; L54-K56 VanDerWaalsContact C-N 3.34Å; L54-A57 PolarHBondContact O-N 2.85Å; L54-K58 PolarHBondContact O-N 3.49Å; L54-K58 VanDerWaalsContact O-N 3.08Å
55	N	65.4	Low	63	Low	65 Å²	65	66.1 Å²	66.1	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-44.4	174.8	-74.2	-27.2	0	0	0	111.1	F51 D52 A57 K58 D59	F51-N55 WeakPolarHBondContact CD1-ND2 3.36Å; F51-N55 WeakPolarHBondContact CE1-ND2 3.42Å; F51-N55 PolarHBondContact O-N 2.96Å; F51-N55 VanDerWaalsContact O-N 3.07Å; D52-N55 PolarHBondContact O-N 3.39Å; N55-A57 VanDerWaalsContact C-N 3.31Å; N55-A57 PolarHBondContact O-N 2.89Å; N55-K58 WeakPolarHBondContact O-CB 3.38Å; N55-K58 PolarHBondContact O-N 2.68Å; N55-K58 VanDerWaalsContact O-N 3.16Å; N55-D59 PolarHBondContact O-N 3.43Å
56	K	65.4	Low	62.9	Low	14 Å²	14	63.9 Å²	63.9	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-43.7	176.5	-158.9	76.3	-179.7	-166.3	0	111.7	D52 I53 L54 K58 D59 I60 N136 E139 S140 F143	D52-K56 WeakPolarHBondContact O-CB 3.37Å; D52-K56 PolarHBondContact O-N 3.48Å; I53-K56 PolarHBondContact O-N 3.46Å; L54-K56 VanDerWaalsContact C-N 3.34Å; K56-K58 VanDerWaalsContact C-N 3.28Å; K56-K58 PolarHBondContact O-N 3.17Å; K56-D59 PolarHBondContact O-N 3.25Å; K56-D59 VanDerWaalsContact O-N 3.14Å; K56-I60 HydrophobicContact CG-CD1 3.94Å; K56-I60 VanDerWaalsContact O-CD1 3.22Å; K56-I60 WeakPolarHBondContact O-CD1 3.17Å; K56-I60 WeakPolarHBondContact O-CG1 3.46Å; K56-I60 PolarHBondContact O-N 3.31Å; K56-N136 PolarHBondContact NZ-O 2.94Å; K56-E139 IonicContact NZ-OE2 2.75Å; K56-E139 PolarHBondContact NZ-OE2 3.21Å; K56-S140 VanDerWaalsContact CE-OG 3.22Å; K56-S140 WeakPolarHBondContact CE-OG 3.39Å; K56-S140 PolarHBondContact NZ-OG 2.03Å; K56-F143 HydrophobicContact CD-CE2 4.45Å; K56-F143 HydrophobicContact CG-CE2 3.71Å; K56-F143 HydrophobicContact CG-CZ 4.03Å
57	A	65.1	Low	62.8	Low	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-39.3	177.6	0	0	0	0	0	113	T17 L39 I53 L54 N55 K61	T17-A57 HydrophobicContact CG2-CB 3.28Å; L39-A57 HydrophobicContact CD1-CB 3.74Å; L39-A57 HydrophobicContact CD2-CB 3.69Å; L39-A57 HydrophobicContact CG-CB 4.41Å; I53-A57 PolarHBondContact O-N 2.87Å; L54-A57 PolarHBondContact O-N 2.85Å; N55-A57 VanDerWaalsContact C-N 3.31Å; N55-A57 PolarHBondContact O-N 2.89Å; A57-K61 WeakPolarHBondContact O-CB 3.48Å; A57-K61 PolarHBondContact O-N 2.94Å
58	K	66.1	Low	62.5	Low	112 Å²	112	57.3 Å²	57.3	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-45.9	173.6	-175.4	-176.6	175	-176.4	0	111.8	L54 N55 K56 I60 K61 V62	L54-K58 PolarHBondContact O-N 3.49Å; L54-K58 VanDerWaalsContact O-N 3.08Å; N55-K58 WeakPolarHBondContact O-CB 3.38Å; N55-K58 PolarHBondContact O-N 2.68Å; N55-K58 VanDerWaalsContact O-N 3.16Å; K56-K58 VanDerWaalsContact C-N 3.28Å; K56-K58 PolarHBondContact O-N 3.17Å; K58-I60 VanDerWaalsContact C-N 3.34Å; K58-I60 PolarHBondContact O-N 3.06Å; K58-K61 PolarHBondContact O-N 3.36Å; K58-V62 WeakPolarHBondContact O-CG2 3.42Å; K58-V62 PolarHBondContact O-N 2.78Å
59	D	68	Low	62	Low	76 Å²	76	54.4 Å²	54.4	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-41.7	-179.6	-65.6	-21.1	0	0	0	111.7	N55 K56 V62 L63	N55-D59 PolarHBondContact O-N 3.43Å; K56-D59 PolarHBondContact O-N 3.25Å; K56-D59 VanDerWaalsContact O-N 3.14Å; D59-V62 PolarHBondContact O-N 3.4Å; D59-L63 WeakPolarHBondContact O-CB 3.24Å; D59-L63 PolarHBondContact O-N 2.82Å
60	I	64.8	Low	61.4	Low	5 Å²	5	58.3 Å²	58.3	3%	0.026	30%	0.295	C	S	.	.	H	α-helix	trans	-70.3	-39.5	178.1	-62.3	148.6	0	0	0	111.3	V35 L39 K56 K58 V62 L63 R64 F143	V35-I60 HydrophobicContact CG1-CG2 3.96Å; V35-I60 HydrophobicContact CG2-CG2 4.36Å; L39-I60 HydrophobicContact CD2-CD1 3.54Å; K56-I60 HydrophobicContact CG-CD1 3.94Å; K56-I60 VanDerWaalsContact O-CD1 3.22Å; K56-I60 WeakPolarHBondContact O-CD1 3.17Å; K56-I60 WeakPolarHBondContact O-CG1 3.46Å; K56-I60 PolarHBondContact O-N 3.31Å; K58-I60 VanDerWaalsContact C-N 3.34Å; K58-I60 PolarHBondContact O-N 3.06Å; I60-V62 VanDerWaalsContact C-N 3.31Å; I60-V62 PolarHBondContact O-N 3.37Å; I60-L63 PolarHBondContact O-N 2.93Å; I60-R64 HydrophobicContact CG2-CG 4.2Å; I60-R64 WeakPolarHBondContact O-CB 2.9Å; I60-R64 PolarHBondContact O-N 3.12Å; I60-F143 HydrophobicContact CD1-CD1 3.18Å; I60-F143 HydrophobicContact CD1-CD2 4.31Å; I60-F143 HydrophobicContact CD1-CE1 2.94Å; I60-F143 HydrophobicContact CD1-CE2 3.92Å; I60-F143 HydrophobicContact CD1-CG 3.96Å; I60-F143 HydrophobicContact CD1-CZ 3.25Å; I60-F143 HydrophobicContact CG1-CD1 3.83Å; I60-F143 HydrophobicContact CG1-CE1 4.06Å; I60-F143 HydrophobicContact CG1-CG 4.44Å
61	K	63	Low	60.9	Low	9 Å²	9	57.8 Å²	57.8	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-49.6	172.1	-168.6	-175.3	-175.8	178.2	0	108.9	Y20 L21 E24 A57 K58 L63 C65	Y20-K61 HydrophobicContact CD1-CD 4.39Å; Y20-K61 HydrophobicContact CE1-CD 3.97Å; Y20-K61 PolarHBondContact O-NZ 3.22Å; L21-K61 HydrophobicContact CD2-CB 3.84Å; L21-K61 HydrophobicContact CD2-CD 4.01Å; L21-K61 HydrophobicContact CD2-CG 3.9Å; E24-K61 IonicContact OE2-NZ 3.79Å; A57-K61 WeakPolarHBondContact O-CB 3.48Å; A57-K61 PolarHBondContact O-N 2.94Å; K58-K61 PolarHBondContact O-N 3.36Å; K61-L63 PolarHBondContact O-N 2.92Å; K61-C65 HydrophobicContact CG-CB 4.11Å; K61-C65 VanDerWaalsContact O-CA 3.32Å; K61-C65 WeakPolarHBondContact O-CA 3.47Å; K61-C65 WeakPolarHBondContact O-CB 3.39Å; K61-C65 PolarHBondContact O-N 2.9Å; K61-C65 PolarHBondContact O-SG 3.29Å
62	V	65.2	Low	60.4	Low	60 Å²	60	53.1 Å²	53.1	36%	0.364	28%	0.275	S	S	.	.	I	π-helix	trans	-56.9	-53.1	176.5	167.4	0	0	0	0	111.1	K58 D59 I60 R64 Q66	K58-V62 WeakPolarHBondContact O-CG2 3.42Å; K58-V62 PolarHBondContact O-N 2.78Å; D59-V62 PolarHBondContact O-N 3.4Å; I60-V62 VanDerWaalsContact C-N 3.31Å; I60-V62 PolarHBondContact O-N 3.37Å; V62-R64 PolarHBondContact O-N 2.74Å; V62-Q66 VanDerWaalsContact O-CB 3.24Å; V62-Q66 WeakPolarHBondContact O-CB 3.29Å; V62-Q66 PolarHBondContact O-N 2.85Å
63	L	61.4	Low	60	Low	56 Å²	56	55.3 Å²	55.3	29%	0.293	29%	0.287	S	S	.	.	I	π-helix	trans	-62.9	-39.4	-174.9	-161.7	95.2	0	0	0	113.3	D59 I60 K61 I67	D59-L63 WeakPolarHBondContact O-CB 3.24Å; D59-L63 PolarHBondContact O-N 2.82Å; I60-L63 PolarHBondContact O-N 2.93Å; K61-L63 PolarHBondContact O-N 2.92Å; L63-I67 HydrophobicContact CD1-CD1 4.44Å; L63-I67 HydrophobicContact CG-CD1 4.42Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.14Å; L63-I67 WeakPolarHBondContact O-CD1 3.49Å; L63-I67 WeakPolarHBondContact O-CG1 3.46Å
64	R	61.3	Low	59.5	Low	85 Å²	85	61.8 Å²	61.8	32%	0.321	32%	0.316	S	S	.	.	I	π-helix	trans	-99.6	-28	-173.6	-65.7	-61.4	-163.4	-157	-1.4	114.2	N31 V35 I60 V62	N31-R64 PolarHBondContact ND2-O 3.28Å; V35-R64 HydrophobicContact CG2-CB 3.73Å; V35-R64 HydrophobicContact CG2-CG 4.28Å; I60-R64 HydrophobicContact CG2-CG 4.2Å; I60-R64 WeakPolarHBondContact O-CB 2.9Å; I60-R64 PolarHBondContact O-N 3.12Å; V62-R64 PolarHBondContact O-N 2.74Å
65	C	60.9	Low	59.3	Low	5 Å²	5	61.8 Å²	61.8	3%	0.034	32%	0.315	C	S	.	.	I	π-helix	trans	-94.4	-38	-177.4	-58.2	0	0	0	0	111.6	S26 C27 P28 K61	S26-C65 CarbonylContact O-C 3.59Å; S26-C65 VanDerWaalsContact O-CB 3.32Å; S26-C65 WeakPolarHBondContact O-CB 3.46Å; C27-C65 HydrophobicContact CB-CB 3.4Å; C27-C65 WeakPolarHBondContact CB-SG 3.45Å; C27-C65 WeakPolarHBondContact SG-CB 3.38Å; C27-C65 CovalentContact SG-SG 2.03Å; C27-C65 PolarHBondContact SG-SG 3.27Å; P28-C65 WeakPolarHBondContact CD-O 3.4Å; K61-C65 HydrophobicContact CG-CB 4.11Å; K61-C65 VanDerWaalsContact O-CA 3.32Å; K61-C65 WeakPolarHBondContact O-CA 3.47Å; K61-C65 WeakPolarHBondContact O-CB 3.39Å; K61-C65 PolarHBondContact O-N 2.9Å; K61-C65 PolarHBondContact O-SG 3.29Å
66	Q	60.3	Low	59	Low	128 Å²	128	63.2 Å²	63.2	60%	0.598	32%	0.323	S	S	*	.	I	π-helix	trans	-85.1	-31.2	-179.8	-59	-176.5	-15.5	0	0	112.9	V62 G68	V62-Q66 VanDerWaalsContact O-CB 3.24Å; V62-Q66 WeakPolarHBondContact O-CB 3.29Å; V62-Q66 PolarHBondContact O-N 2.85Å; Q66-G68 PolarHBondContact O-N 3.27Å; Q66-G68 VanDerWaalsContact O-N 3.17Å
67	I	56.6	Low	59.1	Low	57 Å²	57	66.1 Å²	66.1	29%	0.292	35%	0.35	S	S	.	.	S	Bend	trans	-80	97.9	167.6	-49.6	-179.1	0	0	0	106.8	L63 S69 L72	L63-I67 HydrophobicContact CD1-CD1 4.44Å; L63-I67 HydrophobicContact CG-CD1 4.42Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.14Å; L63-I67 WeakPolarHBondContact O-CD1 3.49Å; L63-I67 WeakPolarHBondContact O-CG1 3.46Å; I67-S69 PolarHBondContact O-N 2.78Å; I67-L72 HydrophobicContact CG2-CD1 4.12Å; I67-L72 HydrophobicContact CG2-CD2 4.04Å; I67-L72 HydrophobicContact CG2-CG 3.81Å
68	G	51.2	Low	58.7	Low	26 Å²	26	72.3 Å²	72.3	27%	0.268	38%	0.379	S	S	.	.			trans	-54	136.3	-177.1	0	0	0	0	0	112.1	Q66 E70 C71 L72	Q66-G68 PolarHBondContact O-N 3.27Å; Q66-G68 VanDerWaalsContact O-N 3.17Å; G68-E70 PolarHBondContact O-N 3.13Å; G68-C71 WeakPolarHBondContact O-CA 3.49Å; G68-C71 VanDerWaalsContact O-CB 3.28Å; G68-C71 WeakPolarHBondContact O-CB 3.34Å; G68-C71 PolarHBondContact O-N 3.33Å; G68-L72 PolarHBondContact O-N 2.74Å
69	S	52.2	Low	58.2	Low	20 Å²	20	68.8 Å²	68.8	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-53.3	-38.8	174.3	50	0	0	0	0	111.5	E30 I67 L72 N73	E30-S69 PolarHBondContact OE1-OG 3.21Å; I67-S69 PolarHBondContact O-N 2.78Å; S69-L72 PolarHBondContact O-N 2.85Å; S69-N73 VanDerWaalsContact O-CB 3.31Å; S69-N73 WeakPolarHBondContact O-CB 3.49Å; S69-N73 PolarHBondContact O-N 3.3Å; S69-N73 PolarHBondContact O-ND2 3.46Å; S69-N73 VanDerWaalsContact O-ND2 3.17Å
70	E	49.3	Very low	57.7	Low	143 Å²	143	69.1 Å²	69.1	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-59.6	-46.7	172.7	-68.8	-179.5	164.8	0	0	112.2	G68 L72 N73 E74	G68-E70 PolarHBondContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.42Å; E70-N73 PolarHBondContact O-N 3.38Å; E70-N73 VanDerWaalsContact O-N 3.07Å; E70-E74 WeakPolarHBondContact O-CB 3.41Å; E70-E74 WeakPolarHBondContact O-CG 3.49Å; E70-E74 PolarHBondContact O-N 3.03Å
71	C	51.7	Low	57.5	Low	60 Å²	60	73.7 Å²	73.7	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-58.3	-46.2	176.5	-174.2	0	0	0	0	110.9	G68 N73 M75	G68-C71 WeakPolarHBondContact O-CA 3.49Å; G68-C71 VanDerWaalsContact O-CB 3.28Å; G68-C71 WeakPolarHBondContact O-CB 3.34Å; G68-C71 PolarHBondContact O-N 3.33Å; C71-N73 VanDerWaalsContact C-N 3.34Å; C71-N73 PolarHBondContact O-N 3.21Å; C71-M75 WeakPolarHBondContact O-CB 3.4Å; C71-M75 WeakPolarHBondContact O-CG 3.47Å; C71-M75 PolarHBondContact O-N 3.19Å; C71-M75 VanDerWaalsContact O-N 3.13Å; C71-M75 VanDerWaalsContact SG-CE 3.58Å
72	L	52.1	Low	57.4	Low	41 Å²	41	78 Å²	78	22%	0.215	41%	0.412	C	S	.	.	H	α-helix	trans	-65.2	-35.5	175.6	-72.1	170.2	0	0	0	112.6	I67 G68 S69 E70 M75 K80 I83	I67-L72 HydrophobicContact CG2-CD1 4.12Å; I67-L72 HydrophobicContact CG2-CD2 4.04Å; I67-L72 HydrophobicContact CG2-CG 3.81Å; G68-L72 PolarHBondContact O-N 2.74Å; S69-L72 PolarHBondContact O-N 2.85Å; E70-L72 VanDerWaalsContact C-N 3.32Å; E70-L72 PolarHBondContact O-N 3.42Å; L72-M75 HydrophobicContact CD2-SD 4.31Å; L72-K80 WeakPolarHBondContact O-CE 3.37Å; L72-K80 PolarHBondContact O-NZ 2.87Å; L72-I83 HydrophobicContact CD2-CD1 4.02Å
73	N	53.2	Low	57.2	Low	119 Å²	119	77.8 Å²	77.8	64%	0.636	41%	0.407	S	S	*	.	H	α-helix	trans	-75.6	-35.9	-178.2	-75.6	-28.6	0	0	0	112.9	S69 E70 C71 M75	S69-N73 VanDerWaalsContact O-CB 3.31Å; S69-N73 WeakPolarHBondContact O-CB 3.49Å; S69-N73 PolarHBondContact O-N 3.3Å; S69-N73 PolarHBondContact O-ND2 3.46Å; S69-N73 VanDerWaalsContact O-ND2 3.17Å; E70-N73 PolarHBondContact O-N 3.38Å; E70-N73 VanDerWaalsContact O-N 3.07Å; C71-N73 VanDerWaalsContact C-N 3.34Å; C71-N73 PolarHBondContact O-N 3.21Å; N73-M75 VanDerWaalsContact C-N 3.32Å
74	E	53.3	Low	57.2	Low	165 Å²	165	80.4 Å²	80.4	77%	0.771	42%	0.418	S	S	*	.	H	α-helix	trans	-76.9	-20.3	177.1	-69.2	-178.3	177.2	0	0	112.8	E70 N76	E70-E74 WeakPolarHBondContact O-CB 3.41Å; E70-E74 WeakPolarHBondContact O-CG 3.49Å; E70-E74 PolarHBondContact O-N 3.03Å; E74-N76 PolarHBondContact O-N 3.35Å
75	M	58.9	Low	57.5	Low	51 Å²	51	80.3 Å²	80.3	25%	0.251	42%	0.424	S	S	.	.	S	Bend	trans	-63.4	132.3	176.6	-84.7	168.4	168.8	0	0	112	C71 L72 N73 C79 K80 I83	C71-M75 WeakPolarHBondContact O-CB 3.4Å; C71-M75 WeakPolarHBondContact O-CG 3.47Å; C71-M75 PolarHBondContact O-N 3.19Å; C71-M75 VanDerWaalsContact O-N 3.13Å; C71-M75 VanDerWaalsContact SG-CE 3.58Å; L72-M75 HydrophobicContact CD2-SD 4.31Å; N73-M75 VanDerWaalsContact C-N 3.32Å; M75-C79 HydrophobicContact CB-CB 4.19Å; M75-C79 HydrophobicContact CG-CB 4.16Å; M75-K80 HydrophobicContact CB-CG 4.26Å; M75-I83 HydrophobicContact CE-CD1 3.86Å; M75-I83 HydrophobicContact SD-CD1 3.43Å; M75-I83 WeakPolarHBondContact SD-CD1 3.31Å
76	N	58.8	Low	57.7	Low	96 Å²	96	86 Å²	86	51%	0.513	45%	0.449	S	S	.	.			trans	-62.7	162.5	171.6	68.2	22.3	0	0	0	111	E74 E78 C79 K80	E74-N76 PolarHBondContact O-N 3.35Å; N76-E78 PolarHBondContact O-N 2.95Å; N76-E78 PolarHBondContact OD1-N 3.41Å; N76-C79 PolarHBondContact O-N 3.12Å; N76-C79 VanDerWaalsContact OD1-CB 3.24Å; N76-C79 WeakPolarHBondContact OD1-CB 3.38Å; N76-C79 PolarHBondContact OD1-N 3.17Å; N76-K80 PolarHBondContact O-N 2.94Å; N76-K80 VanDerWaalsContact O-N 3.11Å
77	A	67.9	Low	58.2	Low	74 Å²	74	80 Å²	80	61%	0.612	42%	0.421	S	S	*	.	H	α-helix	trans	-59.4	-32.7	-176	0	0	0	0	0	113.1	K80 M81	A77-K80 PolarHBondContact O-N 2.68Å; A77-M81 WeakPolarHBondContact O-CG 3.37Å; A77-M81 PolarHBondContact O-N 3.36Å; A77-M81 VanDerWaalsContact O-N 3.1Å
78	E	57.3	Low	58.9	Low	131 Å²	131	80.7 Å²	80.7	61%	0.612	43%	0.429	S	S	*	.	H	α-helix	trans	-63.4	-49.5	177.1	-168.7	172.3	-167.4	0	0	111.2	N76 K80 M81 D82	N76-E78 PolarHBondContact O-N 2.95Å; N76-E78 PolarHBondContact OD1-N 3.41Å; E78-K80 VanDerWaalsContact C-N 3.34Å; E78-K80 PolarHBondContact O-N 2.71Å; E78-M81 WeakPolarHBondContact O-CB 3.44Å; E78-M81 PolarHBondContact O-N 2.96Å; E78-M81 VanDerWaalsContact O-N 3.13Å; E78-D82 PolarHBondContact O-N 3.2Å
79	C	54.4	Low	59.7	Low	38 Å²	38	83.3 Å²	83.3	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-66.2	-35.3	179.1	-167.5	0	0	0	0	112.5	M75 N76 M81 D82 I83	M75-C79 HydrophobicContact CB-CB 4.19Å; M75-C79 HydrophobicContact CG-CB 4.16Å; N76-C79 PolarHBondContact O-N 3.12Å; N76-C79 VanDerWaalsContact OD1-CB 3.24Å; N76-C79 WeakPolarHBondContact OD1-CB 3.38Å; N76-C79 PolarHBondContact OD1-N 3.17Å; C79-M81 VanDerWaalsContact C-N 3.35Å; C79-M81 PolarHBondContact O-N 2.93Å; C79-D82 PolarHBondContact O-N 3.27Å; C79-I83 WeakPolarHBondContact O-CG1 3.22Å; C79-I83 PolarHBondContact O-N 2.97Å
80	K	58.4	Low	60.7	Low	83 Å²	83	83.2 Å²	83.2	36%	0.361	44%	0.441	S	S	.	.	H	α-helix	trans	-59.8	-44.9	171.6	-76.2	180	177.8	174.2	0	111.9	L72 M75 N76 A77 E78 I83 Q84	L72-K80 WeakPolarHBondContact O-CE 3.37Å; L72-K80 PolarHBondContact O-NZ 2.87Å; M75-K80 HydrophobicContact CB-CG 4.26Å; N76-K80 PolarHBondContact O-N 2.94Å; N76-K80 VanDerWaalsContact O-N 3.11Å; A77-K80 PolarHBondContact O-N 2.68Å; E78-K80 VanDerWaalsContact C-N 3.34Å; E78-K80 PolarHBondContact O-N 2.71Å; K80-I83 PolarHBondContact O-N 2.8Å; K80-Q84 WeakPolarHBondContact O-CG 3.24Å; K80-Q84 PolarHBondContact O-N 3.4Å
81	M	61.1	Low	62	Low	100 Å²	100	77.4 Å²	77.4	49%	0.493	42%	0.416	S	S	.	.	H	α-helix	trans	-65	-39.7	175.5	-72.8	-172	-55.6	0	0	111.7	A77 E78 C79 I83 Q84 N85	A77-M81 WeakPolarHBondContact O-CG 3.37Å; A77-M81 PolarHBondContact O-N 3.36Å; A77-M81 VanDerWaalsContact O-N 3.1Å; E78-M81 WeakPolarHBondContact O-CB 3.44Å; E78-M81 PolarHBondContact O-N 2.96Å; E78-M81 VanDerWaalsContact O-N 3.13Å; C79-M81 VanDerWaalsContact C-N 3.35Å; C79-M81 PolarHBondContact O-N 2.93Å; M81-I83 VanDerWaalsContact C-N 3.32Å; M81-I83 PolarHBondContact O-N 3.03Å; M81-Q84 PolarHBondContact O-N 2.89Å; M81-N85 VanDerWaalsContact O-CB 3.27Å; M81-N85 WeakPolarHBondContact O-CB 3.22Å; M81-N85 VanDerWaalsContact O-CG 3.28Å; M81-N85 PolarHBondContact O-N 3.45Å; M81-N85 PolarHBondContact O-ND2 3.02Å
82	D	59.7	Low	63.1	Low	101 Å²	101	76.1 Å²	76.1	54%	0.54	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-40.4	177.9	-73.3	-19.8	0	0	0	112	E78 C79 N85 F86	E78-D82 PolarHBondContact O-N 3.2Å; C79-D82 PolarHBondContact O-N 3.27Å; D82-N85 CarbonylContact O-C 3.44Å; D82-N85 PolarHBondContact O-N 3.2Å; D82-F86 WeakPolarHBondContact O-CA 3.45Å; D82-F86 PolarHBondContact O-N 3.16Å
83	I	60.3	Low	64.1	Low	54 Å²	54	77 Å²	77	28%	0.277	42%	0.421	S	S	.	.	H	α-helix	trans	-66.2	-45.5	175.2	-69.3	172.9	0	0	0	110.9	L72 M75 C79 K80 M81 N85 F86 Y137	L72-I83 HydrophobicContact CD2-CD1 4.02Å; M75-I83 HydrophobicContact CE-CD1 3.86Å; M75-I83 HydrophobicContact SD-CD1 3.43Å; M75-I83 WeakPolarHBondContact SD-CD1 3.31Å; C79-I83 WeakPolarHBondContact O-CG1 3.22Å; C79-I83 PolarHBondContact O-N 2.97Å; K80-I83 PolarHBondContact O-N 2.8Å; M81-I83 VanDerWaalsContact C-N 3.32Å; M81-I83 PolarHBondContact O-N 3.03Å; I83-N85 VanDerWaalsContact C-N 3.28Å; I83-N85 PolarHBondContact O-N 2.63Å; I83-F86 WeakPolarHBondContact O-CB 3.22Å; I83-F86 PolarHBondContact O-N 3.38Å; I83-Y137 PolarHBondContact O-OH 3.21Å
84	Q	62.7	Low	65.4	Low	112 Å²	112	73.4 Å²	73.4	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-43.5	176	-72.8	174.8	-38.9	0	0	111	K80 M81 F86	K80-Q84 WeakPolarHBondContact O-CG 3.24Å; K80-Q84 PolarHBondContact O-N 3.4Å; M81-Q84 PolarHBondContact O-N 2.89Å; Q84-F86 PolarHBondContact O-N 3.02Å
85	N	66.5	Low	66.8	Low	83 Å²	83	68.5 Å²	68.5	44%	0.444	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.1	177.6	-67.2	-42.4	0	0	0	113.6	M81 D82 I83 G87 P88 T89	M81-N85 VanDerWaalsContact O-CB 3.27Å; M81-N85 WeakPolarHBondContact O-CB 3.22Å; M81-N85 VanDerWaalsContact O-CG 3.28Å; M81-N85 PolarHBondContact O-N 3.45Å; M81-N85 PolarHBondContact O-ND2 3.02Å; D82-N85 CarbonylContact O-C 3.44Å; D82-N85 PolarHBondContact O-N 3.2Å; I83-N85 VanDerWaalsContact C-N 3.28Å; I83-N85 PolarHBondContact O-N 2.63Å; N85-G87 VanDerWaalsContact C-N 3.34Å; N85-G87 PolarHBondContact O-N 3.36Å; N85-P88 WeakPolarHBondContact O-CD 3.02Å; N85-T89 WeakPolarHBondContact O-CB 3.36Å; N85-T89 PolarHBondContact O-N 3.42Å; N85-T89 PolarHBondContact O-OG1 2.83Å
86	F	65.8	Low	67.9	Low	124 Å²	124	75 Å²	75	54%	0.544	42%	0.417	S	S	.	.	H	α-helix	trans	-59.9	-46.4	-174.6	174.8	-97.2	0	0	0	110.7	D82 I83 Q84 T89 A90 Y137	D82-F86 WeakPolarHBondContact O-CA 3.45Å; D82-F86 PolarHBondContact O-N 3.16Å; I83-F86 WeakPolarHBondContact O-CB 3.22Å; I83-F86 PolarHBondContact O-N 3.38Å; Q84-F86 PolarHBondContact O-N 3.02Å; F86-T89 PolarHBondContact O-N 2.03Å; F86-A90 HydrophobicContact CE1-CB 4.4Å; F86-A90 WeakPolarHBondContact O-CB 2.99Å; F86-A90 PolarHBondContact O-N 3.32Å; F86-Y137 AromaticContact CD1-CE2 3.87Å; F86-Y137 HydrophobicContact CD1-CE2 3.87Å
87	G	71.5	Confident	69.1	Low	1 Å²	1	75.2 Å²	75.2	1%	0.01	41%	0.414	C	S	.	.	H	α-helix	trans	-64.4	-55.6	178	0	0	0	0	0	114	N85 T89 A90 C91 Y137	N85-G87 VanDerWaalsContact C-N 3.34Å; N85-G87 PolarHBondContact O-N 3.36Å; G87-T89 PolarHBondContact O-N 3.44Å; G87-A90 PolarHBondContact O-N 2.78Å; G87-A90 VanDerWaalsContact O-N 3.13Å; G87-C91 VanDerWaalsContact O-CB 3.25Å; G87-C91 WeakPolarHBondContact O-CB 3.32Å; G87-C91 PolarHBondContact O-N 2.88Å; G87-C91 PolarHBondContact O-SG 2.79Å; G87-C91 VanDerWaalsContact O-SG 3.34Å; G87-Y137 PolarHBondContact N-OH 3.12Å
88	P	70.2	Confident	70.2	Confident	72 Å²	72	74 Å²	74	47%	0.468	40%	0.395	S	S	.	.	H	α-helix	trans	-51.4	-42.4	173.7	-29.3	35	0	0	0	112.7	N85 G92	N85-P88 WeakPolarHBondContact O-CD 3.02Å; P88-G92 PolarHBondContact O-N 2.83Å
89	T	69.7	Low	71.8	Confident	81 Å²	81	72.5 Å²	72.5	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-50.3	176.2	-60	0	0	0	0	111.8	N85 F86 G87 C91 G92 C93	N85-T89 WeakPolarHBondContact O-CB 3.36Å; N85-T89 PolarHBondContact O-N 3.42Å; N85-T89 PolarHBondContact O-OG1 2.83Å; F86-T89 PolarHBondContact O-N 2.03Å; G87-T89 PolarHBondContact O-N 3.44Å; T89-C91 VanDerWaalsContact C-N 3.32Å; T89-C91 PolarHBondContact O-N 2.86Å; T89-G92 PolarHBondContact O-N 3.14Å; T89-C93 WeakPolarHBondContact O-CB 3.46Å; T89-C93 PolarHBondContact O-N 3.46Å; T89-C93 PolarHBondContact O-SG 2.82Å; T89-C93 VanDerWaalsContact O-SG 3.37Å
90	A	72.3	Confident	73.4	Confident	19 Å²	19	73.7 Å²	73.7	16%	0.157	40%	0.404	C	S	.	.	H	α-helix	trans	-60.3	-43	179	0	0	0	0	0	111.1	F86 G87 C93 L94 F133	F86-A90 HydrophobicContact CE1-CB 4.4Å; F86-A90 WeakPolarHBondContact O-CB 2.99Å; F86-A90 PolarHBondContact O-N 3.32Å; G87-A90 PolarHBondContact O-N 2.78Å; G87-A90 VanDerWaalsContact O-N 3.13Å; A90-C93 WeakPolarHBondContact O-CB 2.94Å; A90-C93 PolarHBondContact O-N 2.9Å; A90-L94 WeakPolarHBondContact O-CB 3.4Å; A90-L94 VanDerWaalsContact O-CG 3.29Å; A90-L94 WeakPolarHBondContact O-CG 3.35Å; A90-L94 PolarHBondContact O-N 3.27Å; A90-F133 HydrophobicContact CB-CE1 4.03Å; A90-F133 HydrophobicContact CB-CZ 4.34Å
91	C	75.7	Confident	74.7	Confident	21 Å²	21	72.9 Å²	72.9	14%	0.142	40%	0.401	C	S	.	.	H	α-helix	trans	-59.8	-48.3	173.2	-78.1	0	0	0	0	112.8	G87 T89 C93 L94 A95 C134	G87-C91 VanDerWaalsContact O-CB 3.25Å; G87-C91 WeakPolarHBondContact O-CB 3.32Å; G87-C91 PolarHBondContact O-N 2.88Å; G87-C91 PolarHBondContact O-SG 2.79Å; G87-C91 VanDerWaalsContact O-SG 3.34Å; T89-C91 VanDerWaalsContact C-N 3.32Å; T89-C91 PolarHBondContact O-N 2.86Å; C91-C93 VanDerWaalsContact C-N 3.29Å; C91-C93 PolarHBondContact O-N 3.28Å; C91-L94 PolarHBondContact O-N 2.99Å; C91-A95 WeakPolarHBondContact O-CB 2.9Å; C91-A95 PolarHBondContact O-N 3.23Å; C91-C134 WeakPolarHBondContact CA-SG 3.44Å; C91-C134 HydrophobicContact CB-CB 4.08Å; C91-C134 WeakPolarHBondContact CB-SG 3.44Å; C91-C134 WeakPolarHBondContact SG-CA 3.44Å; C91-C134 WeakPolarHBondContact SG-CB 3.19Å; C91-C134 CovalentContact SG-SG 2.03Å; C91-C134 PolarHBondContact SG-SG 3.32Å
92	G	74.7	Confident	76.2	Confident	33 Å²	33	68.1 Å²	68.1	34%	0.34	38%	0.377	S	S	.	.	H	α-helix	trans	-60.2	-39	174.4	0	0	0	0	0	112.6	P88 T89 K96	P88-G92 PolarHBondContact O-N 2.83Å; T89-G92 PolarHBondContact O-N 3.14Å; G92-K96 VanDerWaalsContact O-CG 3.29Å; G92-K96 WeakPolarHBondContact O-CG 3.32Å; G92-K96 PolarHBondContact O-N 3.13Å; G92-K96 VanDerWaalsContact O-N 3.12Å
93	C	72.9	Confident	77.8	Confident	58 Å²	58	66.6 Å²	66.6	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-66.4	-47.1	175.7	-75.9	0	0	0	0	112.2	T89 A90 C91 A95 K96 Q97	T89-C93 WeakPolarHBondContact O-CB 3.46Å; T89-C93 PolarHBondContact O-N 3.46Å; T89-C93 PolarHBondContact O-SG 2.82Å; T89-C93 VanDerWaalsContact O-SG 3.37Å; A90-C93 WeakPolarHBondContact O-CB 2.94Å; A90-C93 PolarHBondContact O-N 2.9Å; C91-C93 VanDerWaalsContact C-N 3.29Å; C91-C93 PolarHBondContact O-N 3.28Å; C93-A95 PolarHBondContact O-N 3.34Å; C93-K96 PolarHBondContact O-N 3.45Å; C93-Q97 WeakPolarHBondContact O-CB 3.22Å; C93-Q97 WeakPolarHBondContact O-CG 3.41Å; C93-Q97 PolarHBondContact O-N 3.05Å
94	L	80.7	Confident	79.2	Confident	45 Å²	45	69 Å²	69	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-60.6	-45	177.6	-73.6	173.9	0	0	0	111.1	A90 C91 K96 Q97 K98 F101 I130 F133	A90-L94 WeakPolarHBondContact O-CB 3.4Å; A90-L94 VanDerWaalsContact O-CG 3.29Å; A90-L94 WeakPolarHBondContact O-CG 3.35Å; A90-L94 PolarHBondContact O-N 3.27Å; C91-L94 PolarHBondContact O-N 2.99Å; L94-K96 VanDerWaalsContact C-N 3.35Å; L94-K96 PolarHBondContact O-N 3.37Å; L94-Q97 CarbonylContact O-C 3.34Å; L94-Q97 PolarHBondContact O-N 2.97Å; L94-Q97 VanDerWaalsContact O-N 3.15Å; L94-K98 PolarHBondContact O-N 3.44Å; L94-F101 HydrophobicContact CD2-CE2 3.76Å; L94-F101 HydrophobicContact CD2-CZ 4.24Å; L94-I130 HydrophobicContact CB-CD1 4.2Å; L94-I130 HydrophobicContact CB-CG1 4.09Å; L94-I130 HydrophobicContact CB-CG2 3.86Å; L94-F133 HydrophobicContact CD1-CD1 3.46Å; L94-F133 VanDerWaalsContact CD1-CD1 3.46Å; L94-F133 HydrophobicContact CD1-CE1 3.73Å; L94-F133 HydrophobicContact CD1-CG 4.11Å
95	A	83.8	Confident	80.4	Confident	62 Å²	62	65 Å²	65	51%	0.512	37%	0.368	S	S	.	.	H	α-helix	trans	-60.2	-42.9	177.1	0	0	0	0	0	112.1	C91 C93 Q97 K98	C91-A95 WeakPolarHBondContact O-CB 2.9Å; C91-A95 PolarHBondContact O-N 3.23Å; C93-A95 PolarHBondContact O-N 3.34Å; A95-Q97 VanDerWaalsContact C-N 3.3Å; A95-Q97 PolarHBondContact O-N 3.26Å; A95-K98 WeakPolarHBondContact O-CB 3.44Å; A95-K98 PolarHBondContact O-N 2.99Å
96	K	82.7	Confident	81.7	Confident	188 Å²	188	61.3 Å²	61.3	82%	0.817	35%	0.348	S	S	*	.	H	α-helix	trans	-66.7	-30.5	176.1	-74.2	175	-176.2	177.3	0	113.3	G92 C93 L94	G92-K96 VanDerWaalsContact O-CG 3.29Å; G92-K96 WeakPolarHBondContact O-CG 3.32Å; G92-K96 PolarHBondContact O-N 3.13Å; G92-K96 VanDerWaalsContact O-N 3.12Å; C93-K96 PolarHBondContact O-N 3.45Å; L94-K96 VanDerWaalsContact C-N 3.35Å; L94-K96 PolarHBondContact O-N 3.37Å
97	Q	83.6	Confident	83	Confident	99 Å²	99	59 Å²	59	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-93.4	-0.6	-178.8	-67.6	-178.8	29.5	0	0	113.2	C93 L94 A95 D99 A100 F101	C93-Q97 WeakPolarHBondContact O-CB 3.22Å; C93-Q97 WeakPolarHBondContact O-CG 3.41Å; C93-Q97 PolarHBondContact O-N 3.05Å; L94-Q97 CarbonylContact O-C 3.34Å; L94-Q97 PolarHBondContact O-N 2.97Å; L94-Q97 VanDerWaalsContact O-N 3.15Å; A95-Q97 VanDerWaalsContact C-N 3.3Å; A95-Q97 PolarHBondContact O-N 3.26Å; Q97-D99 VanDerWaalsContact C-N 3.34Å; Q97-D99 PolarHBondContact O-N 3.4Å; Q97-A100 WeakPolarHBondContact O-CB 3.45Å; Q97-A100 PolarHBondContact O-N 3.06Å; Q97-F101 HydrophobicContact CB-CD2 3.99Å; Q97-F101 HydrophobicContact CB-CE2 3.51Å; Q97-F101 HydrophobicContact CB-CZ 4.04Å; Q97-F101 WeakPolarHBondContact O-CD2 3.47Å; Q97-F101 PolarHBondContact O-N 2.88Å
98	K	90.7	Very high	83.9	Confident	49 Å²	49	61.6 Å²	61.6	21%	0.213	36%	0.359	C	S	.	.	H	α-helix	trans	-49.7	-53.1	-174.3	-172.5	-168.6	67.6	145.8	0	112.2	L94 A95 A100 F101 V102 D123 I126 S127 I130	L94-K98 PolarHBondContact O-N 3.44Å; A95-K98 WeakPolarHBondContact O-CB 3.44Å; A95-K98 PolarHBondContact O-N 2.99Å; K98-A100 VanDerWaalsContact C-N 3.26Å; K98-A100 PolarHBondContact O-N 3.45Å; K98-F101 CarbonylContact O-C 3.5Å; K98-F101 WeakPolarHBondContact O-CA 3.33Å; K98-F101 WeakPolarHBondContact O-CB 3.3Å; K98-F101 PolarHBondContact O-N 3.44Å; K98-V102 HydrophobicContact CG-CG2 4.35Å; K98-V102 WeakPolarHBondContact O-CG2 3.28Å; K98-V102 PolarHBondContact O-N 3.32Å; K98-D123 WeakPolarHBondContact CE-OD2 3.42Å; K98-D123 IonicContact NZ-OD1 2.97Å; K98-D123 PolarHBondContact NZ-OD1 2.94Å; K98-D123 IonicContact NZ-OD2 2.65Å; K98-D123 PolarHBondContact NZ-OD2 2.99Å; K98-I126 HydrophobicContact CG-CG2 4.04Å; K98-S127 WeakPolarHBondContact CD-OG 3.1Å; K98-I130 HydrophobicContact CB-CD1 4.08Å; K98-I130 HydrophobicContact CG-CD1 3.97Å
99	D	91	Very high	84.8	Confident	99 Å²	99	61.6 Å²	61.6	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-37.7	-176.3	-65.6	-11.4	0	0	0	112	Q97 V102 D103	Q97-D99 VanDerWaalsContact C-N 3.34Å; Q97-D99 PolarHBondContact O-N 3.4Å; D99-V102 PolarHBondContact O-N 2.72Å; D99-D103 PolarHBondContact O-N 2.86Å
100	A	88.2	Confident	86	Confident	64 Å²	64	61.1 Å²	61.1	53%	0.529	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-37.8	175	0	0	0	0	0	111.8	Q97 K98 L104	Q97-A100 WeakPolarHBondContact O-CB 3.45Å; Q97-A100 PolarHBondContact O-N 3.06Å; K98-A100 VanDerWaalsContact C-N 3.26Å; K98-A100 PolarHBondContact O-N 3.45Å; A100-L104 VanDerWaalsContact O-CB 3.24Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 PolarHBondContact O-N 3.44Å
101	F	85.6	Confident	87	Confident	66 Å²	66	68.9 Å²	68.9	29%	0.289	38%	0.377	S	S	.	.	H	α-helix	trans	-67.9	-38.9	173.4	-66.2	-51.2	0	0	0	112.4	L94 Q97 K98 L104 A105 I126	L94-F101 HydrophobicContact CD2-CE2 3.76Å; L94-F101 HydrophobicContact CD2-CZ 4.24Å; Q97-F101 HydrophobicContact CB-CD2 3.99Å; Q97-F101 HydrophobicContact CB-CE2 3.51Å; Q97-F101 HydrophobicContact CB-CZ 4.04Å; Q97-F101 WeakPolarHBondContact O-CD2 3.47Å; Q97-F101 PolarHBondContact O-N 2.88Å; K98-F101 CarbonylContact O-C 3.5Å; K98-F101 WeakPolarHBondContact O-CA 3.33Å; K98-F101 WeakPolarHBondContact O-CB 3.3Å; K98-F101 PolarHBondContact O-N 3.44Å; F101-L104 PolarHBondContact O-N 3.13Å; F101-A105 VanDerWaalsContact O-CB 3.23Å; F101-A105 WeakPolarHBondContact O-CB 3.42Å; F101-A105 PolarHBondContact O-N 3.5Å; F101-I126 HydrophobicContact CB-CD1 4.01Å; F101-I126 HydrophobicContact CB-CG2 4.24Å; F101-I126 WeakPolarHBondContact O-CD1 3.25Å
102	V	92.4	Very high	87.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-60.8	-47.8	174.9	174.4	0	0	0	0	110.5	K98 D99 A105 C106 K119 V122 D123 I126	K98-V102 HydrophobicContact CG-CG2 4.35Å; K98-V102 WeakPolarHBondContact O-CG2 3.28Å; K98-V102 PolarHBondContact O-N 3.32Å; D99-V102 PolarHBondContact O-N 2.72Å; V102-A105 PolarHBondContact O-N 3.27Å; V102-C106 WeakPolarHBondContact O-CB 3.16Å; V102-C106 PolarHBondContact O-N 3.11Å; V102-C106 PolarHBondContact O-SG 3.05Å; V102-K119 HydrophobicContact CG1-CD 4.29Å; V102-K119 HydrophobicContact CG1-CG 3.64Å; V102-V122 HydrophobicContact CG1-CB 4.34Å; V102-V122 HydrophobicContact CG1-CG1 4.1Å; V102-D123 HydrophobicContact CG1-CB 4.39Å; V102-D123 HydrophobicContact CG2-CB 4.12Å; V102-I126 HydrophobicContact CB-CD1 4.38Å; V102-I126 HydrophobicContact CG2-CB 4.29Å; V102-I126 HydrophobicContact CG2-CD1 3.89Å; V102-I126 HydrophobicContact CG2-CG2 4.43Å
103	D	93	Very high	88.5	Confident	69 Å²	69	74.7 Å²	74.7	37%	0.369	41%	0.411	S	S	.	.	H	α-helix	trans	-65.2	-42.5	178.1	-73.4	-22.6	0	0	0	111.6	D99 A105 C106 N107 K119	D99-D103 PolarHBondContact O-N 2.86Å; D103-A105 PolarHBondContact O-N 3.12Å; D103-C106 PolarHBondContact O-N 3.42Å; D103-N107 WeakPolarHBondContact O-CB 3.43Å; D103-N107 PolarHBondContact O-N 3.13Å; D103-N107 PolarHBondContact O-ND2 3.3Å; D103-N107 VanDerWaalsContact O-ND2 3.08Å; D103-K119 WeakPolarHBondContact OD1-CE 3.47Å; D103-K119 IonicContact OD1-NZ 2.68Å; D103-K119 PolarHBondContact OD1-NZ 3.44Å; D103-K119 IonicContact OD2-NZ 2.68Å
104	L	89.7	Confident	89.5	Confident	105 Å²	105	74.9 Å²	74.9	55%	0.55	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-44.6	175.8	-178.4	65	0	0	0	111.8	A100 F101 N107 S108	A100-L104 VanDerWaalsContact O-CB 3.24Å; A100-L104 WeakPolarHBondContact O-CB 3.43Å; A100-L104 PolarHBondContact O-N 3.44Å; F101-L104 PolarHBondContact O-N 3.13Å; L104-N107 PolarHBondContact O-N 3.4Å; L104-S108 VanDerWaalsContact O-CB 3.28Å; L104-S108 WeakPolarHBondContact O-CB 3.12Å; L104-S108 PolarHBondContact O-N 3.06Å; L104-S108 PolarHBondContact O-OG 3.38Å
105	A	87.2	Confident	90	Very high	27 Å²	27	81.5 Å²	81.5	22%	0.223	45%	0.447	C	S	.	.	H	α-helix	trans	-66.2	-45.4	178.4	0	0	0	0	0	111.3	F101 V102 D103 N107 S108 I109 V122 I126	F101-A105 VanDerWaalsContact O-CB 3.23Å; F101-A105 WeakPolarHBondContact O-CB 3.42Å; F101-A105 PolarHBondContact O-N 3.5Å; V102-A105 PolarHBondContact O-N 3.27Å; D103-A105 PolarHBondContact O-N 3.12Å; A105-N107 PolarHBondContact O-N 3.37Å; A105-S108 PolarHBondContact O-N 3.11Å; A105-I109 WeakPolarHBondContact O-CB 3.47Å; A105-I109 WeakPolarHBondContact O-CD1 3.24Å; A105-I109 WeakPolarHBondContact O-CG1 3.11Å; A105-I109 PolarHBondContact O-N 2.97Å; A105-V122 HydrophobicContact CB-CG1 3.67Å; A105-I126 HydrophobicContact CB-CD1 3.89Å
106	C	94.2	Very high	90.4	Very high	5 Å²	5	87.1 Å²	87.1	3%	0.034	46%	0.455	C	S	.	.	H	α-helix	trans	-56.3	-49.7	174.8	-71.4	0	0	0	0	111.4	V102 D103 S108 I109 E110 P117	V102-C106 WeakPolarHBondContact O-CB 3.16Å; V102-C106 PolarHBondContact O-N 3.11Å; V102-C106 PolarHBondContact O-SG 3.05Å; D103-C106 PolarHBondContact O-N 3.42Å; C106-S108 VanDerWaalsContact C-N 3.32Å; C106-S108 PolarHBondContact O-N 3.41Å; C106-I109 PolarHBondContact O-N 2.97Å; C106-E110 WeakPolarHBondContact O-CB 3.47Å; C106-E110 PolarHBondContact O-N 2.88Å; C106-P117 HydrophobicContact CB-CG 4.22Å
107	N	93.8	Very high	90.8	Very high	77 Å²	77	79.8 Å²	79.8	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-38.5	179	-72.2	-30	0	0	0	112.1	D103 L104 A105 K111	D103-N107 WeakPolarHBondContact O-CB 3.43Å; D103-N107 PolarHBondContact O-N 3.13Å; D103-N107 PolarHBondContact O-ND2 3.3Å; D103-N107 VanDerWaalsContact O-ND2 3.08Å; L104-N107 PolarHBondContact O-N 3.4Å; A105-N107 PolarHBondContact O-N 3.37Å; N107-K111 WeakPolarHBondContact O-CB 3.23Å; N107-K111 VanDerWaalsContact O-CG 3.23Å; N107-K111 WeakPolarHBondContact O-CG 3.38Å; N107-K111 PolarHBondContact O-N 2.65Å
108	S	89.2	Confident	91.3	Very high	54 Å²	54	82.1 Å²	82.1	38%	0.378	44%	0.435	S	S	.	.	H	α-helix	trans	-70.5	-42.8	179.7	-59.5	0	0	0	0	111.3	L104 A105 C106 K111 C112	L104-S108 VanDerWaalsContact O-CB 3.28Å; L104-S108 WeakPolarHBondContact O-CB 3.12Å; L104-S108 PolarHBondContact O-N 3.06Å; L104-S108 PolarHBondContact O-OG 3.38Å; A105-S108 PolarHBondContact O-N 3.11Å; C106-S108 VanDerWaalsContact C-N 3.32Å; C106-S108 PolarHBondContact O-N 3.41Å; S108-K111 PolarHBondContact O-N 2.87Å; S108-C112 WeakPolarHBondContact O-CB 3.09Å; S108-C112 PolarHBondContact O-N 3.32Å; S108-C112 PolarHBondContact O-SG 3.38Å
109	I	90.2	Very high	91.5	Very high	72 Å²	72	84.2 Å²	84.2	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-44.7	175.5	-67.1	163.2	0	0	0	110.2	A105 C106 K111 C112 S113 P117 V122	A105-I109 WeakPolarHBondContact O-CB 3.47Å; A105-I109 WeakPolarHBondContact O-CD1 3.24Å; A105-I109 WeakPolarHBondContact O-CG1 3.11Å; A105-I109 PolarHBondContact O-N 2.97Å; C106-I109 PolarHBondContact O-N 2.97Å; I109-K111 PolarHBondContact O-N 2.97Å; I109-C112 PolarHBondContact O-N 2.69Å; I109-S113 WeakPolarHBondContact O-CB 3.37Å; I109-S113 PolarHBondContact O-N 2.88Å; I109-S113 PolarHBondContact O-OG 3.39Å; I109-P117 HydrophobicContact CB-CG 3.98Å; I109-P117 HydrophobicContact CD1-CB 4.46Å; I109-P117 HydrophobicContact CD1-CG 4.02Å; I109-P117 HydrophobicContact CG2-CB 4.21Å; I109-P117 HydrophobicContact CG2-CG 3.88Å; I109-V122 HydrophobicContact CD1-CG2 4.29Å
110	E	95.3	Very high	91.7	Very high	72 Å²	72	85.6 Å²	85.6	34%	0.336	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.3	-175.4	171.7	-163.8	0	0	111.6	C106 C112 G114 Y115 R116	C106-E110 WeakPolarHBondContact O-CB 3.47Å; C106-E110 PolarHBondContact O-N 2.88Å; E110-C112 PolarHBondContact O-N 3.39Å; E110-G114 WeakPolarHBondContact O-CA 3.46Å; E110-G114 PolarHBondContact O-N 3.29Å; E110-Y115 WeakPolarHBondContact CA-O 3.34Å; E110-R116 HydrophobicContact CG-CB 4.26Å
111	K	91.9	Very high	91.9	Very high	181 Å²	181	87.5 Å²	87.5	79%	0.787	45%	0.448	S	S	*	.	H	α-helix	trans	-62.8	-41.4	175.7	-77.3	175.3	-179.6	-179	0	113	N107 S108 I109	N107-K111 WeakPolarHBondContact O-CB 3.23Å; N107-K111 VanDerWaalsContact O-CG 3.23Å; N107-K111 WeakPolarHBondContact O-CG 3.38Å; N107-K111 PolarHBondContact O-N 2.65Å; S108-K111 PolarHBondContact O-N 2.87Å; I109-K111 PolarHBondContact O-N 2.97Å
112	C	90.2	Very high	92.1	Very high	118 Å²	118	85.1 Å²	85.1	80%	0.797	44%	0.439	S	S	*	.	H	α-helix	trans	-79.5	-35.1	-175.7	-71.6	0	0	0	0	113.2	S108 I109 E110	S108-C112 WeakPolarHBondContact O-CB 3.09Å; S108-C112 PolarHBondContact O-N 3.32Å; S108-C112 PolarHBondContact O-SG 3.38Å; I109-C112 PolarHBondContact O-N 2.69Å; E110-C112 PolarHBondContact O-N 3.39Å
113	S	92.5	Very high	92.2	Very high	58 Å²	58	87.1 Å²	87.1	41%	0.406	45%	0.45	S	S	.	.	H	α-helix	trans	-107.4	-16.2	-172.8	70.9	0	0	0	0	114.1	I109 Y115	I109-S113 WeakPolarHBondContact O-CB 3.37Å; I109-S113 PolarHBondContact O-N 2.88Å; I109-S113 PolarHBondContact O-OG 3.39Å; S113-Y115 WeakPolarHBondContact O-CD2 2.93Å; S113-Y115 PolarHBondContact O-N 3.42Å; S113-Y115 PolarHBondContact OG-N 3.22Å; S113-Y115 VanDerWaalsContact OG-N 3.15Å; S113-Y115 PolarHBondContact OG-O 2.87Å
114	G	93.3	Very high	92.2	Very high	63 Å²	63	89.9 Å²	89.9	65%	0.649	46%	0.46	S	S	*	.	S	Bend	trans	73.9	-0.9	-168.9	0	0	0	0	0	114	E110	E110-G114 WeakPolarHBondContact O-CA 3.46Å; E110-G114 PolarHBondContact O-N 3.29Å
115	Y	91.8	Very high	92	Very high	184 Å²	184	89.9 Å²	89.9	72%	0.722	46%	0.457	S	S	*	.			trans	-113.3	126.9	180	-66.7	-81.4	0	0	0	110.7	E110 S113 P117	E110-Y115 WeakPolarHBondContact CA-O 3.34Å; S113-Y115 WeakPolarHBondContact O-CD2 2.93Å; S113-Y115 PolarHBondContact O-N 3.42Å; S113-Y115 PolarHBondContact OG-N 3.22Å; S113-Y115 VanDerWaalsContact OG-N 3.15Å; S113-Y115 PolarHBondContact OG-O 2.87Å; Y115-P117 WeakPolarHBondContact O-CD 3.45Å
116	R	91.6	Very high	92	Very high	180 Å²	180	89.7 Å²	89.7	68%	0.679	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-76.6	117.7	172.8	-169.8	167.6	-179.9	163.2	1.9	109.9	E110	E110-R116 HydrophobicContact CG-CB 4.26Å
117	P	91.8	Very high	91.8	Very high	34 Å²	34	91.2 Å²	91.2	22%	0.221	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-70.3	159.5	178	31.5	-35.9	0	0	0	110.9	C106 I109 Y115 K119 V122	C106-P117 HydrophobicContact CB-CG 4.22Å; I109-P117 HydrophobicContact CB-CG 3.98Å; I109-P117 HydrophobicContact CD1-CB 4.46Å; I109-P117 HydrophobicContact CD1-CG 4.02Å; I109-P117 HydrophobicContact CG2-CB 4.21Å; I109-P117 HydrophobicContact CG2-CG 3.88Å; Y115-P117 WeakPolarHBondContact O-CD 3.45Å; P117-K119 PolarHBondContact O-N 3.02Å; P117-V122 HydrophobicContact CB-CG2 3.85Å; P117-V122 HydrophobicContact CG-CG2 3.82Å
118	K	94.6	Very high	91.4	Very high	148 Å²	148	90 Å²	90	64%	0.643	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-66.6	122.9	168.7	-66.8	-175.5	-179.9	-179.4	0	108.7	E120 L121 V122	K118-E120 PolarHBondContact O-N 3.46Å; K118-L121 HydrophobicContact CB-CB 4.46Å; K118-L121 HydrophobicContact CB-CD1 4.09Å; K118-L121 HydrophobicContact CB-CG 4.12Å; K118-L121 HydrophobicContact CD-CD1 4.17Å; K118-L121 PolarHBondContact O-N 3.45Å; K118-V122 PolarHBondContact O-N 3.46Å
119	K	94	Very high	91.1	Very high	92 Å²	92	92.9 Å²	92.9	40%	0.4	47%	0.466	S	S	.	.	H	α-helix	trans	-60.8	-35	-175	-173.9	170.6	173.2	162.8	0	111.5	V102 D103 P117 L121 V122 D123	V102-K119 HydrophobicContact CG1-CD 4.29Å; V102-K119 HydrophobicContact CG1-CG 3.64Å; D103-K119 WeakPolarHBondContact OD1-CE 3.47Å; D103-K119 IonicContact OD1-NZ 2.68Å; D103-K119 PolarHBondContact OD1-NZ 3.44Å; D103-K119 IonicContact OD2-NZ 2.68Å; P117-K119 PolarHBondContact O-N 3.02Å; K119-L121 PolarHBondContact O-N 3.12Å; K119-V122 PolarHBondContact O-N 3.43Å; K119-D123 WeakPolarHBondContact O-CB 3.28Å; K119-D123 PolarHBondContact O-N 3.41Å
120	E	95.3	Very high	90.7	Very high	129 Å²	129	90.5 Å²	90.5	60%	0.603	45%	0.454	S	S	*	.	H	α-helix	trans	-61.2	-42	178.8	-57.9	76.8	-165.8	0	0	111.8	K118 D123 E124	K118-E120 PolarHBondContact O-N 3.46Å; E120-D123 WeakPolarHBondContact O-CB 3.49Å; E120-D123 PolarHBondContact O-N 3.35Å; E120-E124 WeakPolarHBondContact O-CG 3.47Å; E120-E124 PolarHBondContact O-N 2.86Å
121	L	92.4	Very high	90.2	Very high	104 Å²	104	92.2 Å²	92.2	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-69.4	-36.3	178.4	-65.1	178.1	0	0	0	112.1	K118 K119 D123 E125	K118-L121 HydrophobicContact CB-CB 4.46Å; K118-L121 HydrophobicContact CB-CD1 4.09Å; K118-L121 HydrophobicContact CB-CG 4.12Å; K118-L121 HydrophobicContact CD-CD1 4.17Å; K118-L121 PolarHBondContact O-N 3.45Å; K119-L121 PolarHBondContact O-N 3.12Å; L121-D123 VanDerWaalsContact C-N 3.34Å; L121-E125 PolarHBondContact O-N 3.17Å; L121-E125 VanDerWaalsContact O-N 3.14Å
122	V	90.2	Very high	89.5	Confident	16 Å²	16	87.8 Å²	87.8	10%	0.097	45%	0.445	C	S	.	.	H	α-helix	trans	-68.5	-38.5	175.3	179.5	0	0	0	0	110.4	V102 A105 I109 P117 K118 K119 I126	V102-V122 HydrophobicContact CG1-CB 4.34Å; V102-V122 HydrophobicContact CG1-CG1 4.1Å; A105-V122 HydrophobicContact CB-CG1 3.67Å; I109-V122 HydrophobicContact CD1-CG2 4.29Å; P117-V122 HydrophobicContact CB-CG2 3.85Å; P117-V122 HydrophobicContact CG-CG2 3.82Å; K118-V122 PolarHBondContact O-N 3.46Å; K119-V122 PolarHBondContact O-N 3.43Å; V122-I126 HydrophobicContact CG1-CD1 3.9Å; V122-I126 HydrophobicContact CG1-CG1 4.43Å; V122-I126 WeakPolarHBondContact O-CB 3.41Å; V122-I126 WeakPolarHBondContact O-CG1 3.24Å; V122-I126 PolarHBondContact O-N 3.48Å
123	D	93.9	Very high	88.8	Confident	42 Å²	42	86.3 Å²	86.3	23%	0.225	43%	0.425	C	S	.	.	H	α-helix	trans	-62.1	-46.4	175.2	-170.1	-84.5	0	0	0	112.3	K98 V102 K119 E120 L121 I126 S127	K98-D123 WeakPolarHBondContact CE-OD2 3.42Å; K98-D123 IonicContact NZ-OD1 2.97Å; K98-D123 PolarHBondContact NZ-OD1 2.94Å; K98-D123 IonicContact NZ-OD2 2.65Å; K98-D123 PolarHBondContact NZ-OD2 2.99Å; V102-D123 HydrophobicContact CG1-CB 4.39Å; V102-D123 HydrophobicContact CG2-CB 4.12Å; K119-D123 WeakPolarHBondContact O-CB 3.28Å; K119-D123 PolarHBondContact O-N 3.41Å; E120-D123 WeakPolarHBondContact O-CB 3.49Å; E120-D123 PolarHBondContact O-N 3.35Å; L121-D123 VanDerWaalsContact C-N 3.34Å; D123-I126 PolarHBondContact O-N 2.77Å; D123-S127 WeakPolarHBondContact O-CB 3.36Å; D123-S127 PolarHBondContact O-N 3.17Å; D123-S127 PolarHBondContact O-OG 2.84Å; D123-S127 PolarHBondContact OD1-OG 3.33Å
124	E	92.5	Very high	88.1	Confident	126 Å²	126	84.5 Å²	84.5	59%	0.589	41%	0.412	S	S	*	.	H	α-helix	trans	-59.3	-47.7	176.7	-74.8	173.1	-176.6	0	0	111.6	E120 S127 S128	E120-E124 WeakPolarHBondContact O-CG 3.47Å; E120-E124 PolarHBondContact O-N 2.86Å; E124-S127 PolarHBondContact O-N 2.86Å; E124-S128 WeakPolarHBondContact O-CB 2.76Å; E124-S128 PolarHBondContact O-N 3.11Å
125	E	86.1	Confident	87.2	Confident	105 Å²	105	85.6 Å²	85.6	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-43.6	-179.5	-178.1	65.6	-165.2	0	0	112	L121 S128 K129	L121-E125 PolarHBondContact O-N 3.17Å; L121-E125 VanDerWaalsContact O-N 3.14Å; E125-S128 PolarHBondContact O-N 3.06Å; E125-K129 HydrophobicContact CG-CD 4.46Å; E125-K129 WeakPolarHBondContact O-CG 3.33Å; E125-K129 PolarHBondContact O-N 3.02Å; E125-K129 WeakPolarHBondContact OE1-CE 3.41Å; E125-K129 IonicContact OE1-NZ 2.71Å
126	I	87.4	Confident	86	Confident	24 Å²	24	80 Å²	80	12%	0.123	38%	0.384	C	S	.	.	H	α-helix	trans	-68.2	-42.1	177.6	-70.5	-179.5	0	0	0	110.8	K98 F101 V102 A105 V122 D123 S128 K129 I130	K98-I126 HydrophobicContact CG-CG2 4.04Å; F101-I126 HydrophobicContact CB-CD1 4.01Å; F101-I126 HydrophobicContact CB-CG2 4.24Å; F101-I126 WeakPolarHBondContact O-CD1 3.25Å; V102-I126 HydrophobicContact CB-CD1 4.38Å; V102-I126 HydrophobicContact CG2-CB 4.29Å; V102-I126 HydrophobicContact CG2-CD1 3.89Å; V102-I126 HydrophobicContact CG2-CG2 4.43Å; A105-I126 HydrophobicContact CB-CD1 3.89Å; V122-I126 HydrophobicContact CG1-CD1 3.9Å; V122-I126 HydrophobicContact CG1-CG1 4.43Å; V122-I126 WeakPolarHBondContact O-CB 3.41Å; V122-I126 WeakPolarHBondContact O-CG1 3.24Å; V122-I126 PolarHBondContact O-N 3.48Å; D123-I126 PolarHBondContact O-N 2.77Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.3Å; I126-K129 PolarHBondContact O-N 2.84Å; I126-I130 HydrophobicContact CG2-CD1 3.84Å; I126-I130 HydrophobicContact CG2-CG1 4.35Å; I126-I130 WeakPolarHBondContact O-CG1 2.76Å; I126-I130 PolarHBondContact O-N 3.38Å
127	S	90.3	Very high	84.9	Confident	37 Å²	37	73 Å²	73	26%	0.259	36%	0.357	S	S	.	.	H	α-helix	trans	-57.8	-47.6	175.8	-63.4	0	0	0	0	110.7	K98 D123 E124 K129 I130 E131	K98-S127 WeakPolarHBondContact CD-OG 3.1Å; D123-S127 WeakPolarHBondContact O-CB 3.36Å; D123-S127 PolarHBondContact O-N 3.17Å; D123-S127 PolarHBondContact O-OG 2.84Å; D123-S127 PolarHBondContact OD1-OG 3.33Å; E124-S127 PolarHBondContact O-N 2.86Å; S127-K129 VanDerWaalsContact C-N 3.33Å; S127-K129 PolarHBondContact O-N 3.07Å; S127-I130 PolarHBondContact O-N 3.39Å; S127-E131 WeakPolarHBondContact O-CB 3.12Å; S127-E131 PolarHBondContact O-N 3.13Å
128	S	85.7	Confident	83.7	Confident	50 Å²	50	76.9 Å²	76.9	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.9	-177.3	0	0	0	0	112	E124 E125 I126 E131 M132	E124-S128 WeakPolarHBondContact O-CB 2.76Å; E124-S128 PolarHBondContact O-N 3.11Å; E125-S128 PolarHBondContact O-N 3.06Å; I126-S128 VanDerWaalsContact C-N 3.32Å; I126-S128 PolarHBondContact O-N 3.3Å; S128-E131 PolarHBondContact O-N 2.83Å; S128-M132 WeakPolarHBondContact O-CB 3.23Å; S128-M132 VanDerWaalsContact O-CG 3.29Å; S128-M132 WeakPolarHBondContact O-CG 3.49Å; S128-M132 PolarHBondContact O-N 3.39Å
129	K	82.1	Confident	82.2	Confident	115 Å²	115	73.1 Å²	73.1	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-41.8	176.3	-75.9	171.7	-173.1	-88.2	0	113.1	E125 I126 S127 M132 F133	E125-K129 HydrophobicContact CG-CD 4.46Å; E125-K129 WeakPolarHBondContact O-CG 3.33Å; E125-K129 PolarHBondContact O-N 3.02Å; E125-K129 WeakPolarHBondContact OE1-CE 3.41Å; E125-K129 IonicContact OE1-NZ 2.71Å; I126-K129 PolarHBondContact O-N 2.84Å; S127-K129 VanDerWaalsContact C-N 3.33Å; S127-K129 PolarHBondContact O-N 3.07Å; K129-M132 HydrophobicContact CB-CE 4.5Å; K129-M132 HydrophobicContact CG-CE 4.05Å; K129-F133 WeakPolarHBondContact O-CB 3.27Å; K129-F133 PolarHBondContact O-N 3.45Å
130	I	81.6	Confident	80.5	Confident	22 Å²	22	69.6 Å²	69.6	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-46.6	176	-66.8	170.5	0	0	0	109.6	L94 K98 I126 S127 M132 F133 C134	L94-I130 HydrophobicContact CB-CD1 4.2Å; L94-I130 HydrophobicContact CB-CG1 4.09Å; L94-I130 HydrophobicContact CB-CG2 3.86Å; K98-I130 HydrophobicContact CB-CD1 4.08Å; K98-I130 HydrophobicContact CG-CD1 3.97Å; I126-I130 HydrophobicContact CG2-CD1 3.84Å; I126-I130 HydrophobicContact CG2-CG1 4.35Å; I126-I130 WeakPolarHBondContact O-CG1 2.76Å; I126-I130 PolarHBondContact O-N 3.38Å; S127-I130 PolarHBondContact O-N 3.39Å; I130-M132 PolarHBondContact O-N 3.5Å; I130-F133 WeakPolarHBondContact O-CB 3.33Å; I130-F133 PolarHBondContact O-N 2.85Å; I130-C134 WeakPolarHBondContact O-CB 3.07Å; I130-C134 PolarHBondContact O-N 3.22Å; I130-C134 PolarHBondContact O-SG 3.12Å
131	E	85	Confident	78.7	Confident	109 Å²	109	65.9 Å²	65.9	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-47.8	178.3	-174.2	179.4	-177.7	0	0	111.5	S127 S128 F133 C134 Q135	S127-E131 WeakPolarHBondContact O-CB 3.12Å; S127-E131 PolarHBondContact O-N 3.13Å; S128-E131 PolarHBondContact O-N 2.83Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 3.21Å; E131-C134 PolarHBondContact O-N 3.1Å; E131-C134 VanDerWaalsContact O-N 3.16Å; E131-Q135 HydrophobicContact CG-CG 4.36Å; E131-Q135 WeakPolarHBondContact O-CB 3.37Å; E131-Q135 WeakPolarHBondContact O-CG 3.27Å; E131-Q135 PolarHBondContact O-N 3.23Å; E131-Q135 PolarHBondContact OE1-NE2 3.43Å
132	M	77.1	Confident	76.9	Confident	87 Å²	87	65.1 Å²	65.1	43%	0.429	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-42.7	175.9	-75.8	-173.4	-63.2	0	0	112.1	S128 K129 I130 C134 N136	S128-M132 WeakPolarHBondContact O-CB 3.23Å; S128-M132 VanDerWaalsContact O-CG 3.29Å; S128-M132 WeakPolarHBondContact O-CG 3.49Å; S128-M132 PolarHBondContact O-N 3.39Å; K129-M132 HydrophobicContact CB-CE 4.5Å; K129-M132 HydrophobicContact CG-CE 4.05Å; I130-M132 PolarHBondContact O-N 3.5Å; M132-C134 VanDerWaalsContact C-N 3.3Å; M132-C134 PolarHBondContact O-N 3.11Å; M132-N136 WeakPolarHBondContact O-CB 3.11Å; M132-N136 PolarHBondContact O-N 2.91Å; M132-N136 PolarHBondContact O-ND2 3.32Å
133	F	75.8	Confident	74.9	Confident	87 Å²	87	65.4 Å²	65.4	38%	0.382	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-44.9	175.5	173.1	-93.5	0	0	0	111.1	A90 L94 K129 I130 E131 N136 Y137	A90-F133 HydrophobicContact CB-CE1 4.03Å; A90-F133 HydrophobicContact CB-CZ 4.34Å; L94-F133 HydrophobicContact CD1-CD1 3.46Å; L94-F133 VanDerWaalsContact CD1-CD1 3.46Å; L94-F133 HydrophobicContact CD1-CE1 3.73Å; L94-F133 HydrophobicContact CD1-CG 4.11Å; K129-F133 WeakPolarHBondContact O-CB 3.27Å; K129-F133 PolarHBondContact O-N 3.45Å; I130-F133 WeakPolarHBondContact O-CB 3.33Å; I130-F133 PolarHBondContact O-N 2.85Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 3.21Å; F133-N136 PolarHBondContact O-N 3.06Å; F133-Y137 PolarHBondContact O-N 3.44Å
134	C	77.2	Confident	72.8	Confident	20 Å²	20	64.4 Å²	64.4	14%	0.135	32%	0.321	C	S	.	.	H	α-helix	trans	-68.6	-46.8	-178.8	-68	0	0	0	0	113.4	C91 I130 E131 M132 N136 Y137 E138	C91-C134 WeakPolarHBondContact CA-SG 3.44Å; C91-C134 HydrophobicContact CB-CB 4.08Å; C91-C134 WeakPolarHBondContact CB-SG 3.44Å; C91-C134 WeakPolarHBondContact SG-CA 3.44Å; C91-C134 WeakPolarHBondContact SG-CB 3.19Å; C91-C134 CovalentContact SG-SG 2.03Å; C91-C134 PolarHBondContact SG-SG 3.32Å; I130-C134 WeakPolarHBondContact O-CB 3.07Å; I130-C134 PolarHBondContact O-N 3.22Å; I130-C134 PolarHBondContact O-SG 3.12Å; E131-C134 PolarHBondContact O-N 3.1Å; E131-C134 VanDerWaalsContact O-N 3.16Å; M132-C134 VanDerWaalsContact C-N 3.3Å; M132-C134 PolarHBondContact O-N 3.11Å; C134-N136 VanDerWaalsContact C-N 3.27Å; C134-N136 PolarHBondContact O-N 3.33Å; C134-Y137 PolarHBondContact O-N 3.34Å; C134-Y137 VanDerWaalsContact O-N 3.14Å; C134-E138 PolarHBondContact O-N 2.88Å
135	Q	74.9	Confident	70.7	Confident	86 Å²	86	65.2 Å²	65.2	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-42	173.2	-71.9	175	-3.5	0	0	110.8	E131 Y137 E138 E139	E131-Q135 HydrophobicContact CG-CG 4.36Å; E131-Q135 WeakPolarHBondContact O-CB 3.37Å; E131-Q135 WeakPolarHBondContact O-CG 3.27Å; E131-Q135 PolarHBondContact O-N 3.23Å; E131-Q135 PolarHBondContact OE1-NE2 3.43Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 3.46Å; Q135-E138 PolarHBondContact O-N 3.31Å; Q135-E139 VanDerWaalsContact O-CB 3.22Å; Q135-E139 WeakPolarHBondContact O-CB 3.31Å; Q135-E139 VanDerWaalsContact O-CG 3.24Å; Q135-E139 WeakPolarHBondContact O-CG 3.36Å; Q135-E139 PolarHBondContact O-N 2.9Å
136	N	67.1	Low	68.8	Low	68 Å²	68	64 Å²	64	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-38.8	176.8	-78.2	-24.4	0	0	0	111.9	K56 M132 F133 C134 S140	K56-N136 PolarHBondContact NZ-O 2.94Å; M132-N136 WeakPolarHBondContact O-CB 3.11Å; M132-N136 PolarHBondContact O-N 2.91Å; M132-N136 PolarHBondContact O-ND2 3.32Å; F133-N136 PolarHBondContact O-N 3.06Å; C134-N136 VanDerWaalsContact C-N 3.27Å; C134-N136 PolarHBondContact O-N 3.33Å; N136-S140 VanDerWaalsContact O-CB 3.31Å; N136-S140 WeakPolarHBondContact O-CB 3.34Å; N136-S140 PolarHBondContact O-N 2.89Å; N136-S140 PolarHBondContact O-OG 3.37Å
137	Y	66.9	Low	66.6	Low	31 Å²	31	66.5 Å²	66.5	12%	0.122	35%	0.353	C	S	.	.	H	α-helix	trans	-68.5	-52.2	175.3	-169	-78.6	0	0	0	111.8	I83 F86 G87 F133 C134 Q135 E139 S140 D141	I83-Y137 PolarHBondContact O-OH 3.21Å; F86-Y137 AromaticContact CD1-CE2 3.87Å; F86-Y137 HydrophobicContact CD1-CE2 3.87Å; G87-Y137 PolarHBondContact N-OH 3.12Å; F133-Y137 PolarHBondContact O-N 3.44Å; C134-Y137 PolarHBondContact O-N 3.34Å; C134-Y137 VanDerWaalsContact O-N 3.14Å; Q135-Y137 VanDerWaalsContact C-N 3.31Å; Q135-Y137 PolarHBondContact O-N 3.46Å; Y137-E139 PolarHBondContact O-N 3.47Å; Y137-S140 CarbonylContact O-C 3.51Å; Y137-S140 WeakPolarHBondContact O-CA 3.4Å; Y137-S140 WeakPolarHBondContact O-CB 3.45Å; Y137-S140 PolarHBondContact O-N 3.11Å; Y137-D141 HydrophobicContact CD1-CB 4.09Å; Y137-D141 HydrophobicContact CE1-CB 3.78Å; Y137-D141 PolarHBondContact O-N 2.93Å
138	E	66.7	Low	65.4	Low	117 Å²	117	68 Å²	68	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-55.4	-43.8	179.1	-75.7	-178	176.4	0	0	111.2	C134 Q135 S140 D141 N142	C134-E138 PolarHBondContact O-N 2.88Å; Q135-E138 PolarHBondContact O-N 3.31Å; E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 2.04Å; E138-D141 PolarHBondContact O-N 3.36Å; E138-N142 WeakPolarHBondContact O-CB 2.74Å; E138-N142 VanDerWaalsContact O-CG 3.24Å; E138-N142 PolarHBondContact O-N 3.08Å; E138-N142 PolarHBondContact O-ND2 3.35Å
139	E	63.2	Low	64.3	Low	69 Å²	69	68.9 Å²	68.9	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-33.8	173.7	-78.3	-178.5	178.9	0	0	112.6	K48 K56 Q135 Y137 F143	K48-E139 IonicContact NZ-OE1 3.66Å; K48-E139 PolarHBondContact NZ-OE1 2.9Å; K48-E139 IonicContact NZ-OE2 2.91Å; K48-E139 PolarHBondContact NZ-OE2 3.04Å; K56-E139 IonicContact NZ-OE2 2.75Å; K56-E139 PolarHBondContact NZ-OE2 3.21Å; Q135-E139 VanDerWaalsContact O-CB 3.22Å; Q135-E139 WeakPolarHBondContact O-CB 3.31Å; Q135-E139 VanDerWaalsContact O-CG 3.24Å; Q135-E139 WeakPolarHBondContact O-CG 3.36Å; Q135-E139 PolarHBondContact O-N 2.9Å; Y137-E139 PolarHBondContact O-N 3.47Å; E139-F143 VanDerWaalsContact O-CA 3.23Å; E139-F143 WeakPolarHBondContact O-CA 3.46Å; E139-F143 WeakPolarHBondContact O-CB 3.42Å; E139-F143 VanDerWaalsContact O-CD2 3.27Å; E139-F143 WeakPolarHBondContact O-CD2 3.36Å; E139-F143 PolarHBondContact O-N 3.3Å
140	S	58.7	Low	63.3	Low	18 Å²	18	66.3 Å²	66.3	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-76.7	-35.2	179.6	-59.8	0	0	0	0	112.7	K56 N136 Y137 E138 F143	K56-S140 VanDerWaalsContact CE-OG 3.22Å; K56-S140 WeakPolarHBondContact CE-OG 3.39Å; K56-S140 PolarHBondContact NZ-OG 2.03Å; N136-S140 VanDerWaalsContact O-CB 3.31Å; N136-S140 WeakPolarHBondContact O-CB 3.34Å; N136-S140 PolarHBondContact O-N 2.89Å; N136-S140 PolarHBondContact O-OG 3.37Å; Y137-S140 CarbonylContact O-C 3.51Å; Y137-S140 WeakPolarHBondContact O-CA 3.4Å; Y137-S140 WeakPolarHBondContact O-CB 3.45Å; Y137-S140 PolarHBondContact O-N 3.11Å; E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 2.04Å; S140-F143 WeakPolarHBondContact O-CB 3.42Å; S140-F143 PolarHBondContact O-N 2.88Å
141	D	58.2	Low	62.2	Low	51 Å²	51	68.9 Å²	68.9	27%	0.273	36%	0.364	S	S	.	.	H	α-helix	trans	-73.1	-49.6	177.6	-159.6	38.2	0	0	0	110.1	Y137 E138 F143	Y137-D141 HydrophobicContact CD1-CB 4.09Å; Y137-D141 HydrophobicContact CE1-CB 3.78Å; Y137-D141 PolarHBondContact O-N 2.93Å; E138-D141 PolarHBondContact O-N 3.36Å; D141-F143 PolarHBondContact O-N 3.18Å
142	N	54.6	Low	60.8	Low	88 Å²	88	66.4 Å²	66.4	47%	0.471	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-68	-12.9	172.2	-65.8	-39.6	0	0	0	113	E138 C144 E145	E138-N142 WeakPolarHBondContact O-CB 2.74Å; E138-N142 VanDerWaalsContact O-CG 3.24Å; E138-N142 PolarHBondContact O-N 3.08Å; E138-N142 PolarHBondContact O-ND2 3.35Å; N142-C144 VanDerWaalsContact C-N 3.26Å; N142-C144 PolarHBondContact O-N 3.26Å; N142-E145 PolarHBondContact O-N 3.43Å; N142-E145 PolarHBondContact OD1-OE2 2.85Å
143	F	48	Very low	59.7	Low	22 Å²	22	65.1 Å²	65.1	10%	0.096	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-58.7	-39.3	-169.7	-152.3	-109.5	0	0	0	112.5	C38 L39 T42 K56 I60 E139 S140 D141	C38-F143 VanDerWaalsContact C-CE1 3.48Å; C38-F143 HydrophobicContact CB-CD1 4.05Å; C38-F143 HydrophobicContact CB-CE1 4.18Å; C38-F143 VanDerWaalsContact O-CE1 3.24Å; C38-F143 WeakPolarHBondContact O-CE1 3.07Å; C38-F143 WeakPolarHBondContact SG-CD1 3.42Å; C38-F143 PolarHBondContact SG-O 3.4Å; L39-F143 HydrophobicContact CD2-CE1 3.94Å; L39-F143 HydrophobicContact CD2-CZ 4.08Å; T42-F143 HydrophobicContact CG2-CD2 4.38Å; T42-F143 HydrophobicContact CG2-CE2 3.24Å; T42-F143 HydrophobicContact CG2-CZ 3.35Å; T42-F143 WeakPolarHBondContact OG1-CD2 3.32Å; T42-F143 WeakPolarHBondContact OG1-CE1 3.26Å; T42-F143 WeakPolarHBondContact OG1-CE2 3.13Å; T42-F143 WeakPolarHBondContact OG1-CZ 3.15Å; K56-F143 HydrophobicContact CD-CE2 4.45Å; K56-F143 HydrophobicContact CG-CE2 3.71Å; K56-F143 HydrophobicContact CG-CZ 4.03Å; I60-F143 HydrophobicContact CD1-CD1 3.18Å; I60-F143 HydrophobicContact CD1-CD2 4.31Å; I60-F143 HydrophobicContact CD1-CE1 2.94Å; I60-F143 HydrophobicContact CD1-CE2 3.92Å; I60-F143 HydrophobicContact CD1-CG 3.96Å; I60-F143 HydrophobicContact CD1-CZ 3.25Å; I60-F143 HydrophobicContact CG1-CD1 3.83Å; I60-F143 HydrophobicContact CG1-CE1 4.06Å; I60-F143 HydrophobicContact CG1-CG 4.44Å; E139-F143 VanDerWaalsContact O-CA 3.23Å; E139-F143 WeakPolarHBondContact O-CA 3.46Å; E139-F143 WeakPolarHBondContact O-CB 3.42Å; E139-F143 VanDerWaalsContact O-CD2 3.27Å; E139-F143 WeakPolarHBondContact O-CD2 3.36Å; E139-F143 PolarHBondContact O-N 3.3Å; S140-F143 WeakPolarHBondContact O-CB 3.42Å; S140-F143 PolarHBondContact O-N 2.88Å; D141-F143 PolarHBondContact O-N 3.18Å
144	C	50.1	Low	58.6	Low	20 Å²	20	63.5 Å²	63.5	14%	0.135	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-110.6	7.7	-179.7	-49.8	0	0	0	0	113	C38 N142 G146 I147	C38-C144 HydrophobicContact CB-CB 4.29Å; C38-C144 WeakPolarHBondContact CB-SG 3.36Å; C38-C144 WeakPolarHBondContact SG-CA 3.35Å; C38-C144 WeakPolarHBondContact SG-CB 3.37Å; C38-C144 PolarHBondContact SG-N 3.15Å; C38-C144 VanDerWaalsContact SG-N 3.36Å; C38-C144 CovalentContact SG-SG 2.04Å; C38-C144 PolarHBondContact SG-SG 2.99Å; N142-C144 VanDerWaalsContact C-N 3.26Å; N142-C144 PolarHBondContact O-N 3.26Å; C144-G146 PolarHBondContact O-N 3.21Å; C144-I147 HydrophobicContact CB-CD1 4.2Å; C144-I147 PolarHBondContact O-N 3.23Å
145	E	47.3	Very low	57.2	Low	143 Å²	143	66.8 Å²	66.8	67%	0.668	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	123.6	172.3	-76.7	-160.4	152	0	0	109.8	N142	N142-E145 PolarHBondContact O-N 3.43Å; N142-E145 PolarHBondContact OD1-OE2 2.85Å
146	G	47.2	Very low	55.7	Low	80 Å²	80	65.3 Å²	65.3	83%	0.825	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	8.1	-176.3	0	0	0	0	0	115.5	C144	C144-G146 PolarHBondContact O-N 3.21Å
147	I	40.1	Very low	54.6	Low	76 Å²	76	65 Å²	65	39%	0.39	36%	0.361	S	S	.	.			trans	-84	0	165.5	-73.6	-178.5	0	0	0	111.1	L34 K37 C38 C144	L34-I147 HydrophobicContact CD2-CG2 3.61Å; K37-I147 HydrophobicContact CB-CD1 4.06Å; K37-I147 HydrophobicContact CD-CB 4.34Å; K37-I147 HydrophobicContact CD-CD1 4.18Å; K37-I147 HydrophobicContact CD-CG1 4Å; K37-I147 HydrophobicContact CD-CG2 3.71Å; K37-I147 HydrophobicContact CG-CD1 3.8Å; K37-I147 HydrophobicContact CG-CG1 4.07Å; K37-I147 HydrophobicContact CG-CG2 4.45Å; K37-I147 PolarHBondContact NZ-O 2.75Å; C38-I147 VanDerWaalsContact CA-CD1 3.42Å; C38-I147 HydrophobicContact CB-CD1 3.6Å; C144-I147 HydrophobicContact CB-CD1 4.2Å; C144-I147 PolarHBondContact O-N 3.23Å

Retrieved 147 of 147 residues in 138.5 ms (Link to these results)

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