A0A077ZBT1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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	24	Very low	36.5	Very low	246 Å²	246	109.7 Å²	109.7	100%	1.212	62%	0.615	S	S	*	*				0	93.9	0	-66.8	168.3	-179.5	0	0	106
2	G	25.1	Very low	38.3	Very low	68 Å²	68	111.7 Å²	111.7	70%	0.701	61%	0.612	S	S	*	*				79.8	85.6	82.5	0	0	0	0	0	106.9	E4	G2-E4 VanDerWaalsContact C-N 3.27Å; G2-E4 PolarHBondContact O-N 3.19Å
3	A	25.1	Very low	39.7	Very low	98 Å²	98	112.9 Å²	112.9	81%	0.81	61%	0.611	S	S	*	*			trans	-59.4	101.5	169.4	0	0	0	0	0	105.6	I5	A3-I5 PolarHBondContact O-N 3.43Å
4	E	24.3	Very low	40.6	Very low	179 Å²	179	105.7 Å²	105.7	84%	0.836	58%	0.575	S	S	*	*			trans	-58.3	98.2	168.1	-77.7	-175.1	148.1	0	0	105	G2 L6	G2-E4 VanDerWaalsContact C-N 3.27Å; G2-E4 PolarHBondContact O-N 3.19Å; E4-L6 PolarHBondContact O-N 3.49Å
5	I	29.8	Very low	41.5	Very low	134 Å²	134	104.7 Å²	104.7	69%	0.687	56%	0.559	S	S	*	*			trans	-55.3	92.2	150.7	-54.6	169.7	0	0	0	101.5	A3 K7	A3-I5 PolarHBondContact O-N 3.43Å; I5-K7 HydrophobicContact CB-CG 4.28Å; I5-K7 HydrophobicContact CG2-CB 4.36Å; I5-K7 HydrophobicContact CG2-CG 3.65Å; I5-K7 PolarHBondContact O-N 2.86Å
6	L	28	Very low	42.6	Very low	155 Å²	155	109.2 Å²	109.2	81%	0.812	57%	0.567	S	S	*	*			trans	-54	85.9	149.6	-89.4	152.2	0	0	0	102.7	E4 D8	E4-L6 PolarHBondContact O-N 3.49Å; L6-D8 PolarHBondContact O-N 2.92Å
7	K	39.6	Very low	43.2	Very low	148 Å²	148	108.7 Å²	108.7	64%	0.643	57%	0.565	S	S	*	*			trans	-65.8	78	169.7	-78.3	178.4	177.5	174.2	0	101.4	I5 P9	I5-K7 HydrophobicContact CB-CG 4.28Å; I5-K7 HydrophobicContact CG2-CB 4.36Å; I5-K7 HydrophobicContact CG2-CG 3.65Å; I5-K7 PolarHBondContact O-N 2.86Å; K7-P9 VanDerWaalsContact C-N 3.3Å; K7-P9 WeakPolarHBondContact O-CD 2.92Å
8	D	48.6	Very low	43.7	Very low	29 Å²	29	103.2 Å²	103.2	16%	0.155	54%	0.538	C	S	.	.			trans	-61.3	100.6	-176.9	-178	-2.1	0	0	0	105.8	L6 I10 G11 K12 L60 N65	L6-D8 PolarHBondContact O-N 2.92Å; D8-I10 PolarHBondContact O-N 2.82Å; D8-I10 VanDerWaalsContact OD1-CB 3.31Å; D8-I10 WeakPolarHBondContact OD1-CB 3.44Å; D8-I10 PolarHBondContact OD1-N 2.74Å; D8-I10 VanDerWaalsContact OD1-N 3.16Å; D8-G11 VanDerWaalsContact CG-N 3.34Å; D8-G11 PolarHBondContact O-N 2.93Å; D8-G11 PolarHBondContact OD1-N 3.12Å; D8-G11 VanDerWaalsContact OD1-N 3.16Å; D8-K12 PolarHBondContact O-N 2.75Å; D8-K12 VanDerWaalsContact O-N 3.14Å; D8-L60 VanDerWaalsContact OD1-CD1 3.3Å; D8-L60 WeakPolarHBondContact OD1-CD1 3.45Å; D8-L60 WeakPolarHBondContact OD2-CD1 3.05Å; D8-N65 PolarHBondContact OD2-ND2 2.79Å
9	P	50.1	Low	44.3	Very low	79 Å²	79	107.1 Å²	107.1	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-67.6	-27.8	-172.9	27.5	-25.5	0	0	0	108.4	K7 K12 Q13	K7-P9 VanDerWaalsContact C-N 3.3Å; K7-P9 WeakPolarHBondContact O-CD 2.92Å; P9-K12 PolarHBondContact O-N 2.73Å; P9-Q13 WeakPolarHBondContact O-CB 3.43Å; P9-Q13 VanDerWaalsContact O-CG 3.26Å; P9-Q13 WeakPolarHBondContact O-CG 3.42Å; P9-Q13 PolarHBondContact O-N 2.8Å
10	I	52.7	Low	44.6	Very low	64 Å²	64	105.5 Å²	105.5	33%	0.328	55%	0.553	S	S	.	*	H	α-helix	trans	-69.3	-47.3	176.5	-55.4	168	0	0	0	109.2	D8 K12 Q13 A14 L58 L60	D8-I10 PolarHBondContact O-N 2.82Å; D8-I10 VanDerWaalsContact OD1-CB 3.31Å; D8-I10 WeakPolarHBondContact OD1-CB 3.44Å; D8-I10 PolarHBondContact OD1-N 2.74Å; D8-I10 VanDerWaalsContact OD1-N 3.16Å; I10-K12 VanDerWaalsContact C-N 3.28Å; I10-K12 PolarHBondContact O-N 2.64Å; I10-Q13 PolarHBondContact O-N 3.09Å; I10-A14 WeakPolarHBondContact O-CB 3.35Å; I10-A14 PolarHBondContact O-N 2.77Å; I10-L58 HydrophobicContact CG2-CD1 3.79Å; I10-L60 HydrophobicContact CB-CD1 3.66Å; I10-L60 HydrophobicContact CD1-CD1 3.78Å; I10-L60 HydrophobicContact CD1-CD2 3.53Å; I10-L60 HydrophobicContact CD1-CG 4.34Å; I10-L60 HydrophobicContact CG1-CD1 4.29Å; I10-L60 HydrophobicContact CG2-CD1 3.83Å
11	G	54.1	Low	44.7	Very low	7 Å²	7	106 Å²	106	7%	0.072	56%	0.555	C	S	.	*	H	α-helix	trans	-57.6	-37.7	175.3	0	0	0	0	0	113.7	D8 R15	D8-G11 VanDerWaalsContact CG-N 3.34Å; D8-G11 PolarHBondContact O-N 2.93Å; D8-G11 PolarHBondContact OD1-N 3.12Å; D8-G11 VanDerWaalsContact OD1-N 3.16Å; G11-R15 WeakPolarHBondContact O-CB 3.26Å; G11-R15 PolarHBondContact O-N 3.5Å; G11-R15 VanDerWaalsContact O-N 3.09Å
12	K	58.2	Low	45.8	Very low	133 Å²	133	95.9 Å²	95.9	58%	0.578	51%	0.514	S	S	*	.	H	α-helix	trans	-70.8	-45.6	174.1	-73.4	-173.4	-180	-175.7	0	112.9	D8 P9 I10 R15 Y16	D8-K12 PolarHBondContact O-N 2.75Å; D8-K12 VanDerWaalsContact O-N 3.14Å; P9-K12 PolarHBondContact O-N 2.73Å; I10-K12 VanDerWaalsContact C-N 3.28Å; I10-K12 PolarHBondContact O-N 2.64Å; K12-R15 PolarHBondContact O-N 2.9Å; K12-Y16 PolarHBondContact O-N 3.42Å
13	Q	56.6	Low	47	Very low	128 Å²	128	94.2 Å²	94.2	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-63.9	-43.6	177.9	-76.4	176.3	-2.6	0	0	111.3	P9 I10 R15 Y16 L17	P9-Q13 WeakPolarHBondContact O-CB 3.43Å; P9-Q13 VanDerWaalsContact O-CG 3.26Å; P9-Q13 WeakPolarHBondContact O-CG 3.42Å; P9-Q13 PolarHBondContact O-N 2.8Å; I10-Q13 PolarHBondContact O-N 3.09Å; Q13-R15 VanDerWaalsContact C-N 3.35Å; Q13-R15 PolarHBondContact O-N 3.45Å; Q13-Y16 PolarHBondContact O-N 3.46Å; Q13-L17 WeakPolarHBondContact O-CB 3.13Å; Q13-L17 WeakPolarHBondContact O-CG 3.31Å; Q13-L17 PolarHBondContact O-N 2.87Å
14	A	52.9	Low	48.2	Very low	12 Å²	12	93.5 Å²	93.5	10%	0.099	47%	0.471	C	S	.	.	H	α-helix	trans	-57.2	-47.2	173.9	0	0	0	0	0	111.2	I10 Y16 L17 C18 I67	I10-A14 WeakPolarHBondContact O-CB 3.35Å; I10-A14 PolarHBondContact O-N 2.77Å; A14-Y16 PolarHBondContact O-N 3.35Å; A14-L17 PolarHBondContact O-N 3.32Å; A14-C18 VanDerWaalsContact O-CB 3.28Å; A14-C18 WeakPolarHBondContact O-CB 3.3Å; A14-C18 PolarHBondContact O-N 3.21Å; A14-C18 PolarHBondContact O-SG 3.46Å; A14-I67 HydrophobicContact CB-CD1 3.41Å; A14-I67 VanDerWaalsContact CB-CD1 3.41Å; A14-I67 HydrophobicContact CB-CG1 4.05Å
15	R	54.2	Low	49.4	Very low	91 Å²	91	85.9 Å²	85.9	34%	0.343	44%	0.438	S	S	.	.	H	α-helix	trans	-59.9	-43.5	174.5	-90.5	-172.4	-89.9	-151.4	-17.1	113.1	G11 K12 Q13 C18 K19 C25 D27	G11-R15 WeakPolarHBondContact O-CB 3.26Å; G11-R15 PolarHBondContact O-N 3.5Å; G11-R15 VanDerWaalsContact O-N 3.09Å; K12-R15 PolarHBondContact O-N 2.9Å; Q13-R15 VanDerWaalsContact C-N 3.35Å; Q13-R15 PolarHBondContact O-N 3.45Å; R15-C18 PolarHBondContact O-N 3.18Å; R15-K19 WeakPolarHBondContact O-CB 3.32Å; R15-K19 PolarHBondContact O-N 2.97Å; R15-C25 HydrophobicContact CG-CB 3.86Å; R15-C25 VanDerWaalsContact CG-SG 3.55Å; R15-D27 VanDerWaalsContact CZ-CG 3.46Å; R15-D27 IonicContact CZ-OD1 3.35Å; R15-D27 IonicContact CZ-OD2 2.7Å; R15-D27 IonicContact NE-OD1 3.66Å; R15-D27 IonicContact NE-OD2 2.93Å; R15-D27 IonicContact NH1-OD2 3.93Å; R15-D27 PolarHBondContact NH1-OD2 2.76Å; R15-D27 IonicContact NH2-OD1 2.87Å; R15-D27 PolarHBondContact NH2-OD1 2.9Å; R15-D27 IonicContact NH2-OD2 3.55Å; R15-D27 PolarHBondContact NH2-OD2 2.92Å
16	Y	58.6	Low	50.7	Low	176 Å²	176	80 Å²	80	69%	0.69	41%	0.407	S	S	*	.	H	α-helix	trans	-63	-47	177.7	-177.6	-94.6	0	0	0	111.6	K12 Q13 A14 C18 K19 A20	K12-Y16 PolarHBondContact O-N 3.42Å; Q13-Y16 PolarHBondContact O-N 3.46Å; A14-Y16 PolarHBondContact O-N 3.35Å; Y16-C18 VanDerWaalsContact C-N 3.35Å; Y16-C18 PolarHBondContact O-N 3.09Å; Y16-K19 PolarHBondContact O-N 2.74Å; Y16-A20 WeakPolarHBondContact O-CB 3.37Å; Y16-A20 PolarHBondContact O-N 2.84Å
17	L	51.9	Low	52	Low	101 Å²	101	74.8 Å²	74.8	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-44.8	175.4	-73.5	168.9	0	0	0	111.4	Q13 A14 K19 A20 I21	Q13-L17 WeakPolarHBondContact O-CB 3.13Å; Q13-L17 WeakPolarHBondContact O-CG 3.31Å; Q13-L17 PolarHBondContact O-N 2.87Å; A14-L17 PolarHBondContact O-N 3.32Å; L17-K19 PolarHBondContact O-N 3.14Å; L17-A20 PolarHBondContact O-N 3.22Å; L17-I21 WeakPolarHBondContact O-CD1 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.38Å; L17-I21 PolarHBondContact O-N 3.28Å
18	C	53.3	Low	52.8	Low	10 Å²	10	68.5 Å²	68.5	7%	0.068	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-49.7	177	-70.7	0	0	0	0	110.4	A14 R15 Y16 A20 I21 G22 I23 C25 I67	A14-C18 VanDerWaalsContact O-CB 3.28Å; A14-C18 WeakPolarHBondContact O-CB 3.3Å; A14-C18 PolarHBondContact O-N 3.21Å; A14-C18 PolarHBondContact O-SG 3.46Å; R15-C18 PolarHBondContact O-N 3.18Å; Y16-C18 VanDerWaalsContact C-N 3.35Å; Y16-C18 PolarHBondContact O-N 3.09Å; C18-A20 VanDerWaalsContact C-N 3.3Å; C18-A20 PolarHBondContact O-N 3.16Å; C18-I21 CarbonylContact O-C 3.24Å; C18-I21 PolarHBondContact O-N 2.92Å; C18-I21 VanDerWaalsContact O-N 3.15Å; C18-G22 PolarHBondContact O-N 3.21Å; C18-G22 VanDerWaalsContact O-N 3.07Å; C18-I23 CarbonylContact C-O 3.5Å; C18-I23 VanDerWaalsContact C-O 3.24Å; C18-I23 HydrophobicContact CB-CB 3.88Å; C18-I23 HydrophobicContact CB-CG2 3.87Å; C18-I23 WeakPolarHBondContact CB-O 3.4Å; C18-I23 WeakPolarHBondContact O-CA 3.41Å; C18-I23 WeakPolarHBondContact O-CB 3.37Å; C18-I23 PolarHBondContact O-N 3.29Å; C18-C25 HydrophobicContact CB-CB 3.74Å; C18-I67 WeakPolarHBondContact SG-CG2 3.43Å
19	K	55.2	Low	53.2	Low	176 Å²	176	72.6 Å²	72.6	77%	0.765	38%	0.376	S	S	*	.	H	α-helix	trans	-58	-42.1	176	-172.9	178.2	179.6	-178.8	0	112.2	R15 Y16 L17 I21 G22	R15-K19 WeakPolarHBondContact O-CB 3.32Å; R15-K19 PolarHBondContact O-N 2.97Å; Y16-K19 PolarHBondContact O-N 2.74Å; L17-K19 PolarHBondContact O-N 3.14Å; K19-I21 VanDerWaalsContact C-N 3.28Å; K19-I21 PolarHBondContact O-N 3.16Å; K19-G22 PolarHBondContact O-N 2.68Å
20	A	49.4	Very low	53.6	Low	75 Å²	75	69.1 Å²	69.1	62%	0.62	35%	0.353	S	S	*	.	H	α-helix	trans	-64	-32	179.7	0	0	0	0	0	113	Y16 L17 C18	Y16-A20 WeakPolarHBondContact O-CB 3.37Å; Y16-A20 PolarHBondContact O-N 2.84Å; L17-A20 PolarHBondContact O-N 3.22Å; C18-A20 VanDerWaalsContact C-N 3.3Å; C18-A20 PolarHBondContact O-N 3.16Å
21	I	47.9	Very low	53.9	Low	116 Å²	116	71.6 Å²	71.6	60%	0.595	36%	0.364	S	S	*	.	H	α-helix	trans	-94.2	1	-179.2	-56	160.7	0	0	0	111.3	L17 C18 K19 I23	L17-I21 WeakPolarHBondContact O-CD1 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.38Å; L17-I21 PolarHBondContact O-N 3.28Å; C18-I21 CarbonylContact O-C 3.24Å; C18-I21 PolarHBondContact O-N 2.92Å; C18-I21 VanDerWaalsContact O-N 3.15Å; K19-I21 VanDerWaalsContact C-N 3.28Å; K19-I21 PolarHBondContact O-N 3.16Å; I21-I23 HydrophobicContact CB-CD1 3.64Å; I21-I23 HydrophobicContact CB-CG1 4.03Å; I21-I23 HydrophobicContact CD1-CD1 4.25Å; I21-I23 HydrophobicContact CG2-CD1 3.38Å; I21-I23 HydrophobicContact CG2-CG1 3.87Å
22	G	46.4	Very low	54.3	Low	35 Å²	35	81.3 Å²	81.3	36%	0.361	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	22.1	-179.1	0	0	0	0	0	114.1	C18 K19 H71	C18-G22 PolarHBondContact O-N 3.21Å; C18-G22 VanDerWaalsContact O-N 3.07Å; K19-G22 PolarHBondContact O-N 2.68Å; G22-H71 WeakPolarHBondContact O-CA 3.3Å
23	I	49.4	Very low	54.8	Low	33 Å²	33	79 Å²	79	17%	0.169	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-100.3	131.7	-175.2	-63.6	169.2	0	0	0	110.3	C18 I21 C25 L69	C18-I23 CarbonylContact C-O 3.5Å; C18-I23 VanDerWaalsContact C-O 3.24Å; C18-I23 HydrophobicContact CB-CB 3.88Å; C18-I23 HydrophobicContact CB-CG2 3.87Å; C18-I23 WeakPolarHBondContact CB-O 3.4Å; C18-I23 WeakPolarHBondContact O-CA 3.41Å; C18-I23 WeakPolarHBondContact O-CB 3.37Å; C18-I23 PolarHBondContact O-N 3.29Å; I21-I23 HydrophobicContact CB-CD1 3.64Å; I21-I23 HydrophobicContact CB-CG1 4.03Å; I21-I23 HydrophobicContact CD1-CD1 4.25Å; I21-I23 HydrophobicContact CG2-CD1 3.38Å; I21-I23 HydrophobicContact CG2-CG1 3.87Å; I23-C25 PolarHBondContact O-N 3.1Å; I23-L69 HydrophobicContact CB-CD2 4.27Å; I23-L69 HydrophobicContact CD1-CD2 3.23Å; I23-L69 HydrophobicContact CD1-CG 4.27Å; I23-L69 HydrophobicContact CG1-CD2 3.78Å; I23-L69 HydrophobicContact CG2-CB 3.74Å; I23-L69 HydrophobicContact CG2-CD2 3.47Å; I23-L69 VanDerWaalsContact CG2-CD2 3.47Å; I23-L69 HydrophobicContact CG2-CG 3.29Å
24	L	50.6	Low	55.2	Low	82 Å²	82	75 Å²	75	43%	0.429	38%	0.38	S	S	.	.			trans	-84.3	100.2	173.7	178.9	71.3	0	0	0	111.9	I26 H68 C70	L24-I26 HydrophobicContact CD2-CD1 4.15Å; L24-I26 HydrophobicContact CD2-CG1 4.26Å; L24-I26 HydrophobicContact CG-CG1 4.12Å; L24-H68 CarbonylContact C-O 3.6Å; L24-H68 VanDerWaalsContact C-O 3.3Å; L24-H68 CarbonylContact O-C 3.52Å; L24-H68 PolarHBondContact O-ND1 2.87Å; L24-C70 HydrophobicContact CB-CB 3.93Å; L24-C70 WeakPolarHBondContact CB-O 3.42Å; L24-C70 HydrophobicContact CD2-CB 4.12Å; L24-C70 PolarHBondContact N-O 2.92Å
25	C	50.4	Low	55.7	Low	20 Å²	20	76.3 Å²	76.3	14%	0.135	39%	0.385	C	S	.	.			trans	-81.3	126.8	170.7	-178.2	0	0	0	0	111.5	R15 C18 I23 I67 H68	R15-C25 HydrophobicContact CG-CB 3.86Å; R15-C25 VanDerWaalsContact CG-SG 3.55Å; C18-C25 HydrophobicContact CB-CB 3.74Å; I23-C25 PolarHBondContact O-N 3.1Å; C25-I67 HydrophobicContact CB-CG2 4.28Å; C25-H68 WeakPolarHBondContact CA-O 3.25Å
26	I	57.1	Low	56.5	Low	10 Å²	10	79.4 Å²	79.4	5%	0.051	40%	0.403	C	S	.	.			trans	-119.6	110.5	177.5	-56.5	174.2	0	0	0	108.2	L24 V28 V66 H68	L24-I26 HydrophobicContact CD2-CD1 4.15Å; L24-I26 HydrophobicContact CD2-CG1 4.26Å; L24-I26 HydrophobicContact CG-CG1 4.12Å; I26-V28 HydrophobicContact CG2-CG1 3.86Å; I26-V28 PolarHBondContact O-N 2.88Å; I26-V66 CarbonylContact C-O 3.3Å; I26-H68 HydrophobicContact CB-CB 3.82Å; I26-H68 HydrophobicContact CD1-CB 3.9Å; I26-H68 WeakPolarHBondContact CD1-ND1 3.3Å; I26-H68 HydrophobicContact CG1-CB 3.78Å
27	D	54.3	Low	57	Low	46 Å²	46	74.4 Å²	74.4	25%	0.246	39%	0.386	C	S	.	.			trans	-69.4	126.4	170.2	-42.1	-86.3	0	0	0	109.1	R15	R15-D27 VanDerWaalsContact CZ-CG 3.46Å; R15-D27 IonicContact CZ-OD1 3.35Å; R15-D27 IonicContact CZ-OD2 2.7Å; R15-D27 IonicContact NE-OD1 3.66Å; R15-D27 IonicContact NE-OD2 2.93Å; R15-D27 IonicContact NH1-OD2 3.93Å; R15-D27 PolarHBondContact NH1-OD2 2.76Å; R15-D27 IonicContact NH2-OD1 2.87Å; R15-D27 PolarHBondContact NH2-OD1 2.9Å; R15-D27 IonicContact NH2-OD2 3.55Å; R15-D27 PolarHBondContact NH2-OD2 2.92Å
28	V	56.2	Low	57.8	Low	15 Å²	15	69.8 Å²	69.8	9%	0.091	36%	0.362	C	S	.	.			trans	-117.7	142.2	175.5	-48.8	0	0	0	0	107.9	I26 V30 L38 V66 L103	I26-V28 HydrophobicContact CG2-CG1 3.86Å; I26-V28 PolarHBondContact O-N 2.88Å; V28-V30 HydrophobicContact CB-CG1 4.4Å; V28-V30 HydrophobicContact CG2-CG1 4.05Å; V28-V30 HydrophobicContact CG2-CG2 4.22Å; V28-L38 HydrophobicContact CG2-CD2 3.9Å; V28-V66 HydrophobicContact CG2-CB 3.44Å; V28-V66 VanDerWaalsContact CG2-CB 3.44Å; V28-V66 HydrophobicContact CG2-CG2 3.3Å; V28-L103 HydrophobicContact CB-CD2 3.7Å; V28-L103 HydrophobicContact CG1-CD1 4.39Å; V28-L103 HydrophobicContact CG1-CD2 3.27Å; V28-L103 HydrophobicContact CG1-CG 4.4Å; V28-L103 HydrophobicContact CG2-CD2 4.41Å
29	N	57.2	Low	58.4	Low	115 Å²	115	76.3 Å²	76.3	62%	0.615	39%	0.385	S	S	*	.			trans	-109.4	83.2	176.5	-177.5	53.3	0	0	0	108.5
30	V	59	Low	59.2	Low	6 Å²	6	73.2 Å²	73.2	4%	0.036	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-103	147.6	178.8	-64.5	0	0	0	0	110.6	V28 Q34 L38 I64	V28-V30 HydrophobicContact CB-CG1 4.4Å; V28-V30 HydrophobicContact CG2-CG1 4.05Å; V28-V30 HydrophobicContact CG2-CG2 4.22Å; V30-Q34 HydrophobicContact CB-CB 4.06Å; V30-L38 HydrophobicContact CG1-CD2 4.27Å; V30-L38 HydrophobicContact CG2-CD2 4.11Å; V30-I64 HydrophobicContact CG2-CB 4.49Å
31	Q	59.6	Low	60.1	Low	117 Å²	117	69.7 Å²	69.7	55%	0.547	34%	0.344	S	S	.	.			trans	-66.9	155.5	170.9	-63.8	-176.8	8.7	0	0	110.1	S33 Q34 L35	Q31-S33 WeakPolarHBondContact CB-OG 3.39Å; Q31-S33 PolarHBondContact O-N 2.77Å; Q31-S33 VanDerWaalsContact O-N 3.16Å; Q31-S33 PolarHBondContact OE1-OG 2.7Å; Q31-Q34 HydrophobicContact CB-CG 4.32Å; Q31-Q34 WeakPolarHBondContact O-CB 3.1Å; Q31-Q34 PolarHBondContact O-N 3.38Å; Q31-L35 PolarHBondContact O-N 3.07Å; Q31-L35 VanDerWaalsContact O-N 3.17Å
32	R	61.2	Low	61	Low	211 Å²	211	64.5 Å²	64.5	80%	0.796	32%	0.319	S	S	*	.	H	α-helix	trans	-56.2	-32.5	175.7	-170.5	173.9	179.5	168.3	-0.3	112.7	Q34 L35	R32-Q34 VanDerWaalsContact C-N 3.34Å; R32-L35 WeakPolarHBondContact O-CB 3.44Å; R32-L35 PolarHBondContact O-N 3.32Å
33	S	68.5	Low	62.1	Low	85 Å²	85	65.1 Å²	65.1	59%	0.594	32%	0.317	S	S	*	.	H	α-helix	trans	-66	-32.1	174	50.4	0	0	0	0	113.6	Q31 L35	Q31-S33 WeakPolarHBondContact CB-OG 3.39Å; Q31-S33 PolarHBondContact O-N 2.77Å; Q31-S33 VanDerWaalsContact O-N 3.16Å; Q31-S33 PolarHBondContact OE1-OG 2.7Å; S33-L35 VanDerWaalsContact C-N 3.33Å
34	Q	65.9	Low	63	Low	44 Å²	44	66 Å²	66	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-84.8	-10.9	178.3	-64.3	175.8	-52	0	0	112.3	V30 Q31 R32 E36 E37 L38	V30-Q34 HydrophobicContact CB-CB 4.06Å; Q31-Q34 HydrophobicContact CB-CG 4.32Å; Q31-Q34 WeakPolarHBondContact O-CB 3.1Å; Q31-Q34 PolarHBondContact O-N 3.38Å; R32-Q34 VanDerWaalsContact C-N 3.34Å; Q34-E36 VanDerWaalsContact C-N 3.35Å; Q34-E36 PolarHBondContact O-N 3.39Å; Q34-E37 PolarHBondContact O-N 3.19Å; Q34-L38 WeakPolarHBondContact O-CB 3.46Å; Q34-L38 PolarHBondContact O-N 3.23Å
35	L	64.1	Low	63.7	Low	39 Å²	39	62.4 Å²	62.4	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-43.7	-179.7	-175.9	66.1	0	0	0	112	Q31 R32 S33 L38 R39 P57 I64	Q31-L35 PolarHBondContact O-N 3.07Å; Q31-L35 VanDerWaalsContact O-N 3.17Å; R32-L35 WeakPolarHBondContact O-CB 3.44Å; R32-L35 PolarHBondContact O-N 3.32Å; S33-L35 VanDerWaalsContact C-N 3.33Å; L35-L38 PolarHBondContact O-N 3.47Å; L35-R39 VanDerWaalsContact O-CB 3.31Å; L35-R39 WeakPolarHBondContact O-CB 3.5Å; L35-R39 PolarHBondContact O-N 3.18Å; L35-P57 HydrophobicContact CD1-CB 4.4Å; L35-P57 HydrophobicContact CD1-CG 3.54Å; L35-I64 HydrophobicContact CB-CD1 3.93Å; L35-I64 HydrophobicContact CD1-CB 4.26Å; L35-I64 HydrophobicContact CD1-CD1 3.42Å; L35-I64 VanDerWaalsContact CD1-CD1 3.42Å; L35-I64 HydrophobicContact CD1-CG1 4.42Å; L35-I64 HydrophobicContact CD1-CG2 3.62Å; L35-I64 HydrophobicContact CD2-CD1 3.35Å; L35-I64 HydrophobicContact CG-CD1 3.71Å
36	E	70.1	Confident	64.5	Low	155 Å²	155	63.1 Å²	63.1	72%	0.724	31%	0.306	S	S	*	.	H	α-helix	trans	-66.1	-43.6	-180	-68.3	-176.6	170.9	0	0	110.5	Q34 L38 R39 E40	Q34-E36 VanDerWaalsContact C-N 3.35Å; Q34-E36 PolarHBondContact O-N 3.39Å; E36-L38 PolarHBondContact O-N 3.04Å; E36-R39 PolarHBondContact O-N 2.79Å; E36-E40 PolarHBondContact O-N 3.36Å
37	E	69.8	Low	64.8	Low	71 Å²	71	69.7 Å²	69.7	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-42.9	174.9	-172.9	178	-172.8	0	0	111.6	Q34 R39 E40 L41 R98 L102	Q34-E37 PolarHBondContact O-N 3.19Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 3.39Å; E37-E40 PolarHBondContact O-N 2.77Å; E37-L41 HydrophobicContact CG-CD1 4.09Å; E37-L41 WeakPolarHBondContact O-CB 3.48Å; E37-L41 WeakPolarHBondContact O-CG 3.28Å; E37-L41 PolarHBondContact O-N 3.02Å; E37-R98 IonicContact OE1-CZ 3.96Å; E37-R98 IonicContact OE1-NH2 2.94Å; E37-R98 PolarHBondContact OE1-NH2 3.15Å; E37-L102 HydrophobicContact CG-CD1 4.01Å
38	L	68	Low	65	Low	5 Å²	5	68.2 Å²	68.2	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-40.3	176.3	-177.6	64.9	0	0	0	111.5	V28 V30 Q34 L35 E36 E40 L41 C42 V66 L99	V28-L38 HydrophobicContact CG2-CD2 3.9Å; V30-L38 HydrophobicContact CG1-CD2 4.27Å; V30-L38 HydrophobicContact CG2-CD2 4.11Å; Q34-L38 WeakPolarHBondContact O-CB 3.46Å; Q34-L38 PolarHBondContact O-N 3.23Å; L35-L38 PolarHBondContact O-N 3.47Å; E36-L38 PolarHBondContact O-N 3.04Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-L41 PolarHBondContact O-N 2.71Å; L38-C42 WeakPolarHBondContact O-CB 3.32Å; L38-C42 PolarHBondContact O-N 2.71Å; L38-C42 PolarHBondContact O-SG 3.21Å; L38-V66 HydrophobicContact CD2-CB 4.21Å; L38-V66 HydrophobicContact CD2-CG1 4.29Å; L38-V66 HydrophobicContact CD2-CG2 3.38Å; L38-L99 HydrophobicContact CD1-CD1 3.51Å
39	R	66.2	Low	65	Low	146 Å²	146	67.6 Å²	67.6	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-61.5	-45.3	175.8	166.7	176.7	-90.5	-165.6	-2.5	110.6	L35 E36 E37 C42 S43 F56	L35-R39 VanDerWaalsContact O-CB 3.31Å; L35-R39 WeakPolarHBondContact O-CB 3.5Å; L35-R39 PolarHBondContact O-N 3.18Å; E36-R39 PolarHBondContact O-N 2.79Å; E37-R39 VanDerWaalsContact C-N 3.34Å; E37-R39 PolarHBondContact O-N 3.39Å; R39-C42 PolarHBondContact O-N 2.86Å; R39-S43 WeakPolarHBondContact O-CB 3.42Å; R39-S43 PolarHBondContact O-N 2.8Å; R39-F56 HydrophobicContact CB-CD1 4.12Å; R39-F56 HydrophobicContact CB-CE1 3.94Å; R39-F56 HydrophobicContact CG-CD1 3.88Å; R39-F56 HydrophobicContact CG-CE1 3.51Å; R39-F56 HydrophobicContact CG-CZ 4.13Å; R39-F56 WeakPolarHBondContact O-CE1 3.36Å
40	E	71.9	Confident	65.1	Low	111 Å²	111	65.8 Å²	65.8	52%	0.519	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-45.7	178.3	-162.7	-170.5	161.6	0	0	111.5	E36 E37 L38 C42 S43 Q44	E36-E40 PolarHBondContact O-N 3.36Å; E37-E40 PolarHBondContact O-N 2.77Å; L38-E40 VanDerWaalsContact C-N 3.34Å; E40-C42 PolarHBondContact O-N 3.34Å; E40-S43 WeakPolarHBondContact O-CB 3.48Å; E40-S43 PolarHBondContact O-N 3.36Å; E40-Q44 WeakPolarHBondContact O-CG 3.5Å; E40-Q44 PolarHBondContact O-N 3.08Å; E40-Q44 PolarHBondContact OE1-NE2 2.6Å; E40-Q44 VanDerWaalsContact OE1-NE2 3.1Å
41	L	67.4	Low	64.8	Low	1 Å²	1	69.6 Å²	69.6	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-41.9	178.1	-77.8	168.5	0	0	0	112.9	E37 L38 S43 Q44 L45 L95 R98 L102	E37-L41 HydrophobicContact CG-CD1 4.09Å; E37-L41 WeakPolarHBondContact O-CB 3.48Å; E37-L41 WeakPolarHBondContact O-CG 3.28Å; E37-L41 PolarHBondContact O-N 3.02Å; L38-L41 PolarHBondContact O-N 2.71Å; L41-S43 VanDerWaalsContact C-N 3.32Å; L41-Q44 PolarHBondContact O-N 2.93Å; L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 VanDerWaalsContact O-CG 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 3.12Å; L41-L95 HydrophobicContact CD2-CD2 3.95Å; L41-R98 HydrophobicContact CD1-CB 4.22Å; L41-R98 HydrophobicContact CD2-CB 4.07Å; L41-L102 HydrophobicContact CD1-CD1 3.11Å; L41-L102 HydrophobicContact CD1-CG 4.38Å
42	C	68.8	Low	64.4	Low	8 Å²	8	64.5 Å²	64.5	5%	0.054	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-41.2	173	-73.7	0	0	0	0	111.2	L38 R39 E40 L45 T46 F54 F56	L38-C42 WeakPolarHBondContact O-CB 3.32Å; L38-C42 PolarHBondContact O-N 2.71Å; L38-C42 PolarHBondContact O-SG 3.21Å; R39-C42 PolarHBondContact O-N 2.86Å; E40-C42 PolarHBondContact O-N 3.34Å; C42-L45 PolarHBondContact O-N 2.55Å; C42-T46 PolarHBondContact O-N 2.78Å; C42-T46 PolarHBondContact O-OG1 3.36Å; C42-F54 HydrophobicContact CB-CB 4.07Å; C42-F54 HydrophobicContact CB-CD1 4.36Å; C42-F54 HydrophobicContact CB-CG 4.3Å; C42-F56 HydrophobicContact CB-CE1 3.91Å
43	S	68.5	Low	63.8	Low	48 Å²	48	59.3 Å²	59.3	34%	0.336	31%	0.307	S	S	.	.	H	α-helix	trans	-60.2	-47	175.3	-165.5	0	0	0	0	111.8	R39 E40 L41 L45 T46 E47	R39-S43 WeakPolarHBondContact O-CB 3.42Å; R39-S43 PolarHBondContact O-N 2.8Å; E40-S43 WeakPolarHBondContact O-CB 3.48Å; E40-S43 PolarHBondContact O-N 3.36Å; L41-S43 VanDerWaalsContact C-N 3.32Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.08Å; S43-T46 WeakPolarHBondContact O-CB 3.26Å; S43-T46 PolarHBondContact O-N 2.75Å; S43-E47 PolarHBondContact O-N 3.48Å
44	Q	67.5	Low	63.1	Low	52 Å²	52	55.7 Å²	55.7	24%	0.243	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-37.9	177.2	-69.4	173.6	22.6	0	0	111.6	E40 L41 E47 V48 L95	E40-Q44 WeakPolarHBondContact O-CG 3.5Å; E40-Q44 PolarHBondContact O-N 3.08Å; E40-Q44 PolarHBondContact OE1-NE2 2.6Å; E40-Q44 VanDerWaalsContact OE1-NE2 3.1Å; L41-Q44 PolarHBondContact O-N 2.93Å; Q44-E47 PolarHBondContact O-N 3.35Å; Q44-V48 VanDerWaalsContact O-CG2 3.26Å; Q44-V48 WeakPolarHBondContact O-CG2 3.34Å; Q44-V48 PolarHBondContact O-N 3.47Å; Q44-V48 VanDerWaalsContact O-N 3.1Å; Q44-L95 HydrophobicContact CB-CD1 4.23Å; Q44-L95 HydrophobicContact CB-CD2 4.27Å
45	L	66.7	Low	62.2	Low	6 Å²	6	56.5 Å²	56.5	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-70	-36.8	175.1	-71.3	169	0	0	0	112.3	L41 C42 S43 V48 C49 F54 L95 L99	L41-L45 WeakPolarHBondContact O-CB 3.48Å; L41-L45 VanDerWaalsContact O-CG 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 3.12Å; C42-L45 PolarHBondContact O-N 2.55Å; S43-L45 VanDerWaalsContact C-N 3.29Å; S43-L45 PolarHBondContact O-N 3.08Å; L45-V48 PolarHBondContact O-N 3.04Å; L45-C49 WeakPolarHBondContact O-CB 3.19Å; L45-C49 PolarHBondContact O-N 3.32Å; L45-F54 HydrophobicContact CB-CD2 4.02Å; L45-F54 HydrophobicContact CB-CE1 4.29Å; L45-F54 HydrophobicContact CB-CE2 3.24Å; L45-F54 HydrophobicContact CB-CZ 3.41Å; L45-F54 VanDerWaalsContact CB-CZ 3.41Å; L45-F54 HydrophobicContact CD1-CE1 4.11Å; L45-F54 HydrophobicContact CD1-CE2 4.49Å; L45-F54 HydrophobicContact CD1-CZ 3.8Å; L45-F54 HydrophobicContact CG-CE2 4.45Å; L45-F54 HydrophobicContact CG-CZ 4.18Å; L45-L95 HydrophobicContact CD2-CB 3.64Å; L45-L95 HydrophobicContact CD2-CD1 4.19Å; L45-L95 HydrophobicContact CG-CB 4.28Å; L45-L99 HydrophobicContact CD1-CB 4.48Å; L45-L99 HydrophobicContact CD1-CD2 3.82Å
46	T	65.7	Low	61.4	Low	34 Å²	34	58.4 Å²	58.4	21%	0.209	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-42.8	172.1	-54.6	0	0	0	0	111.1	C42 S43 V48 C49 P50 F54	C42-T46 PolarHBondContact O-N 2.78Å; C42-T46 PolarHBondContact O-OG1 3.36Å; S43-T46 WeakPolarHBondContact O-CB 3.26Å; S43-T46 PolarHBondContact O-N 2.75Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 2.94Å; T46-C49 CarbonylContact O-C 3.05Å; T46-C49 PolarHBondContact O-N 3.06Å; T46-P50 WeakPolarHBondContact O-CA 3.28Å; T46-F54 VanDerWaalsContact OG1-CD2 3.27Å; T46-F54 WeakPolarHBondContact OG1-CD2 2.82Å
47	E	64.6	Low	60.1	Low	149 Å²	149	52.5 Å²	52.5	70%	0.696	27%	0.272	S	S	*	.	H	α-helix	trans	-62.9	-41.8	177.9	-74.8	179	-172.1	0	0	112.2	S43 Q44 C49	S43-E47 PolarHBondContact O-N 3.48Å; Q44-E47 PolarHBondContact O-N 3.35Å; E47-C49 VanDerWaalsContact C-N 3.33Å
48	V	59	Low	58.8	Low	15 Å²	15	53 Å²	53	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-73.4	-28.6	178.4	172.3	0	0	0	0	111.6	Q44 L45 T46 Q87 V92 L95	Q44-V48 VanDerWaalsContact O-CG2 3.26Å; Q44-V48 WeakPolarHBondContact O-CG2 3.34Å; Q44-V48 PolarHBondContact O-N 3.47Å; Q44-V48 VanDerWaalsContact O-N 3.1Å; L45-V48 PolarHBondContact O-N 3.04Å; T46-V48 VanDerWaalsContact C-N 3.35Å; T46-V48 PolarHBondContact O-N 2.94Å; V48-Q87 HydrophobicContact CG1-CG 4.45Å; V48-V92 HydrophobicContact CG1-CB 4.38Å; V48-V92 HydrophobicContact CG1-CG1 4.18Å; V48-V92 HydrophobicContact CG1-CG2 3.46Å; V48-V92 VanDerWaalsContact CG1-CG2 3.46Å; V48-L95 HydrophobicContact CG2-CD1 4.12Å
49	C	56	Low	57.6	Low	2 Å²	2	55.6 Å²	55.6	1%	0.014	30%	0.299	C	S	.	.			trans	-142.3	79.7	-176.8	-67.8	0	0	0	0	110.3	L45 T46 E47 V51 L52 V78	L45-C49 WeakPolarHBondContact O-CB 3.19Å; L45-C49 PolarHBondContact O-N 3.32Å; T46-C49 CarbonylContact O-C 3.05Å; T46-C49 PolarHBondContact O-N 3.06Å; E47-C49 VanDerWaalsContact C-N 3.33Å; C49-V51 PolarHBondContact O-N 3.05Å; C49-L52 HydrophobicContact CB-CB 4.17Å; C49-L52 HydrophobicContact CB-CD1 4.35Å; C49-L52 HydrophobicContact CB-CG 3.89Å; C49-L52 CarbonylContact O-C 3.48Å; C49-L52 WeakPolarHBondContact O-CA 3.28Å; C49-L52 VanDerWaalsContact O-CB 3.29Å; C49-L52 WeakPolarHBondContact O-CB 3.43Å; C49-L52 PolarHBondContact O-N 3.4Å; C49-V78 HydrophobicContact CB-CG2 4.07Å; C49-V78 VanDerWaalsContact SG-CA 3.52Å
50	P	59.4	Low	56.5	Low	77 Å²	77	51.4 Å²	51.4	50%	0.5	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.7	-176.6	22.1	-32.9	0	0	0	113.4	T46 L52	T46-P50 WeakPolarHBondContact O-CA 3.28Å; P50-L52 PolarHBondContact O-N 2.92Å
51	V	51	Low	55.3	Low	85 Å²	85	49.2 Å²	49.2	52%	0.515	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-32.4	171.5	-176.5	0	0	0	0	111.3	C49 N53	C49-V51 PolarHBondContact O-N 3.05Å; V51-N53 VanDerWaalsContact C-N 3.25Å; V51-N53 PolarHBondContact O-N 3.32Å; V51-N53 VanDerWaalsContact O-N 3.08Å
52	L	51.7	Low	54.3	Low	10 Å²	10	56.8 Å²	56.8	5%	0.052	34%	0.335	C	S	.	.	S	Bend	trans	-79.8	81.3	166.1	-58.9	-157.8	0	0	0	107.7	C49 P50 F54 T74 V78	C49-L52 HydrophobicContact CB-CB 4.17Å; C49-L52 HydrophobicContact CB-CD1 4.35Å; C49-L52 HydrophobicContact CB-CG 3.89Å; C49-L52 CarbonylContact O-C 3.48Å; C49-L52 WeakPolarHBondContact O-CA 3.28Å; C49-L52 VanDerWaalsContact O-CB 3.29Å; C49-L52 WeakPolarHBondContact O-CB 3.43Å; C49-L52 PolarHBondContact O-N 3.4Å; P50-L52 PolarHBondContact O-N 2.92Å; L52-F54 HydrophobicContact CB-CD2 3.81Å; L52-F54 HydrophobicContact CB-CE2 3.31Å; L52-F54 HydrophobicContact CB-CZ 3.9Å; L52-F54 HydrophobicContact CD1-CE1 4.43Å; L52-F54 HydrophobicContact CD1-CE2 3.67Å; L52-F54 HydrophobicContact CD1-CZ 3.44Å; L52-F54 VanDerWaalsContact CD1-CZ 3.44Å; L52-F54 HydrophobicContact CG-CE2 4.14Å; L52-F54 HydrophobicContact CG-CZ 4.36Å; L52-F54 WeakPolarHBondContact O-CD2 3.43Å; L52-F54 PolarHBondContact O-N 2.87Å; L52-T74 HydrophobicContact CD2-CG2 3.28Å; L52-V78 HydrophobicContact CD1-CG2 3.06Å; L52-V78 HydrophobicContact CD2-CG2 4.12Å; L52-V78 HydrophobicContact CG-CG2 3.58Å
53	N	49.8	Very low	53.2	Low	102 Å²	102	64.8 Å²	64.8	55%	0.545	36%	0.364	S	S	.	.			trans	-72.6	82.4	173.9	-162.5	-0.6	0	0	0	108.6	V51 C55 L69	V51-N53 VanDerWaalsContact C-N 3.25Å; V51-N53 PolarHBondContact O-N 3.32Å; V51-N53 VanDerWaalsContact O-N 3.08Å; N53-C55 PolarHBondContact O-N 3.37Å; N53-L69 WeakPolarHBondContact O-CB 3.31Å
54	F	53.5	Low	52	Low	9 Å²	9	62.8 Å²	62.8	4%	0.039	35%	0.35	C	S	.	.			trans	-66.6	105.5	177.4	-63.9	-96.5	0	0	0	108.7	C42 L45 T46 L52 H68	C42-F54 HydrophobicContact CB-CB 4.07Å; C42-F54 HydrophobicContact CB-CD1 4.36Å; C42-F54 HydrophobicContact CB-CG 4.3Å; L45-F54 HydrophobicContact CB-CD2 4.02Å; L45-F54 HydrophobicContact CB-CE1 4.29Å; L45-F54 HydrophobicContact CB-CE2 3.24Å; L45-F54 HydrophobicContact CB-CZ 3.41Å; L45-F54 VanDerWaalsContact CB-CZ 3.41Å; L45-F54 HydrophobicContact CD1-CE1 4.11Å; L45-F54 HydrophobicContact CD1-CE2 4.49Å; L45-F54 HydrophobicContact CD1-CZ 3.8Å; L45-F54 HydrophobicContact CG-CE2 4.45Å; L45-F54 HydrophobicContact CG-CZ 4.18Å; T46-F54 VanDerWaalsContact OG1-CD2 3.27Å; T46-F54 WeakPolarHBondContact OG1-CD2 2.82Å; L52-F54 HydrophobicContact CB-CD2 3.81Å; L52-F54 HydrophobicContact CB-CE2 3.31Å; L52-F54 HydrophobicContact CB-CZ 3.9Å; L52-F54 HydrophobicContact CD1-CE1 4.43Å; L52-F54 HydrophobicContact CD1-CE2 3.67Å; L52-F54 HydrophobicContact CD1-CZ 3.44Å; L52-F54 VanDerWaalsContact CD1-CZ 3.44Å; L52-F54 HydrophobicContact CG-CE2 4.14Å; L52-F54 HydrophobicContact CG-CZ 4.36Å; L52-F54 WeakPolarHBondContact O-CD2 3.43Å; L52-F54 PolarHBondContact O-N 2.87Å; F54-H68 AromaticContact CD1-CD2 3.74Å; F54-H68 AromaticContact CD1-NE2 3.96Å; F54-H68 AromaticContact CE1-CD2 3.62Å; F54-H68 AromaticContact CE1-NE2 3.37Å; F54-H68 WeakPolarHBondContact CE1-NE2 3.37Å
55	C	46.3	Very low	50.9	Low	61 Å²	61	62.2 Å²	62.2	41%	0.412	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-84.8	149.9	165.3	-54.5	0	0	0	0	110.4	N53 L69	N53-C55 PolarHBondContact O-N 3.37Å; C55-L69 HydrophobicContact CB-CD1 3.09Å; C55-L69 WeakPolarHBondContact SG-CD1 3.05Å
56	F	47.5	Very low	49.9	Very low	79 Å²	79	62.2 Å²	62.2	35%	0.346	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-84.6	158	-170.3	-71.8	-71.3	0	0	0	113	R39 C42	R39-F56 HydrophobicContact CB-CD1 4.12Å; R39-F56 HydrophobicContact CB-CE1 3.94Å; R39-F56 HydrophobicContact CG-CD1 3.88Å; R39-F56 HydrophobicContact CG-CE1 3.51Å; R39-F56 HydrophobicContact CG-CZ 4.13Å; R39-F56 WeakPolarHBondContact O-CE1 3.36Å; C42-F56 HydrophobicContact CB-CE1 3.91Å
57	P	43.4	Very low	48.9	Very low	31 Å²	31	61.7 Å²	61.7	20%	0.201	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-54.5	142	-178	12.8	-27.2	0	0	0	115.9	L35 A59 I64 V66	L35-P57 HydrophobicContact CD1-CB 4.4Å; L35-P57 HydrophobicContact CD1-CG 3.54Å; P57-A59 PolarHBondContact O-N 3.44Å; P57-I64 HydrophobicContact CB-CG2 3.18Å; P57-I64 HydrophobicContact CG-CG2 3.78Å; P57-V66 HydrophobicContact CB-CB 4.04Å; P57-V66 HydrophobicContact CB-CG1 4.39Å; P57-V66 HydrophobicContact CB-CG2 3.48Å; P57-V66 VanDerWaalsContact CB-CG2 3.48Å; P57-V66 HydrophobicContact CG-CB 4.44Å; P57-V66 HydrophobicContact CG-CG1 4.46Å; P57-V66 HydrophobicContact CG-CG2 3.64Å
58	L	41.7	Very low	48.1	Very low	83 Å²	83	55.7 Å²	55.7	44%	0.435	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	100.9	149.4	-83.3	152.6	0	0	0	107.2	I10 L60 I67	I10-L58 HydrophobicContact CG2-CD1 3.79Å; L58-L60 HydrophobicContact CB-CD1 4.37Å; L58-L60 HydrophobicContact CB-CG 4.37Å; L58-L60 PolarHBondContact O-N 3.17Å; L58-I67 HydrophobicContact CD1-CD1 3.74Å
59	A	43.8	Very low	47.3	Very low	59 Å²	59	56.4 Å²	56.4	49%	0.488	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	113.9	165.6	0	0	0	0	0	108.3	P57 I64	P57-A59 PolarHBondContact O-N 3.44Å; A59-I64 HydrophobicContact CB-CD1 4.17Å; A59-I64 HydrophobicContact CB-CG1 3.97Å; A59-I64 HydrophobicContact CB-CG2 4.2Å
60	L	41.5	Very low	46.8	Very low	58 Å²	58	56.5 Å²	56.5	30%	0.304	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	87.3	176	-69.7	168.3	0	0	0	108.5	D8 I10 L58 R63	D8-L60 VanDerWaalsContact OD1-CD1 3.3Å; D8-L60 WeakPolarHBondContact OD1-CD1 3.45Å; D8-L60 WeakPolarHBondContact OD2-CD1 3.05Å; I10-L60 HydrophobicContact CB-CD1 3.66Å; I10-L60 HydrophobicContact CD1-CD1 3.78Å; I10-L60 HydrophobicContact CD1-CD2 3.53Å; I10-L60 HydrophobicContact CD1-CG 4.34Å; I10-L60 HydrophobicContact CG1-CD1 4.29Å; I10-L60 HydrophobicContact CG2-CD1 3.83Å; L58-L60 HydrophobicContact CB-CD1 4.37Å; L58-L60 HydrophobicContact CB-CG 4.37Å; L58-L60 PolarHBondContact O-N 3.17Å; L60-R63 VanDerWaalsContact O-O 3.04Å
61	G	47.2	Very low	46	Very low	65 Å²	65	57.5 Å²	57.5	67%	0.67	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-143.8	-176	0	0	0	0	0	112.9	R63	G61-R63 VanDerWaalsContact C-N 3.25Å; G61-R63 PolarHBondContact O-N 3.33Å
62	D	47.7	Very low	45.8	Very low	159 Å²	159	58.1 Å²	58.1	85%	0.85	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.9	-176.1	-62.9	-36.4	0	0	0	114.1
63	R	44.2	Very low	45.4	Very low	176 Å²	176	65.5 Å²	65.5	66%	0.664	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.2	175.5	-64.2	-173.2	-174.8	179.9	2.6	108.9	L60 G61	L60-R63 VanDerWaalsContact O-O 3.04Å; G61-R63 VanDerWaalsContact C-N 3.25Å; G61-R63 PolarHBondContact O-N 3.33Å
64	I	45	Very low	45.5	Very low	7 Å²	7	61.5 Å²	61.5	4%	0.036	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102.6	-173.5	-57.1	-177.6	0	0	0	108.4	V30 L35 P57 A59 V66	V30-I64 HydrophobicContact CG2-CB 4.49Å; L35-I64 HydrophobicContact CB-CD1 3.93Å; L35-I64 HydrophobicContact CD1-CB 4.26Å; L35-I64 HydrophobicContact CD1-CD1 3.42Å; L35-I64 VanDerWaalsContact CD1-CD1 3.42Å; L35-I64 HydrophobicContact CD1-CG1 4.42Å; L35-I64 HydrophobicContact CD1-CG2 3.62Å; L35-I64 HydrophobicContact CD2-CD1 3.35Å; L35-I64 HydrophobicContact CG-CD1 3.71Å; P57-I64 HydrophobicContact CB-CG2 3.18Å; P57-I64 HydrophobicContact CG-CG2 3.78Å; A59-I64 HydrophobicContact CB-CD1 4.17Å; A59-I64 HydrophobicContact CB-CG1 3.97Å; A59-I64 HydrophobicContact CB-CG2 4.2Å; I64-V66 HydrophobicContact CG2-CG2 4.08Å; I64-V66 PolarHBondContact O-N 3.41Å; I64-V66 VanDerWaalsContact O-N 3.08Å
65	N	43.3	Very low	45.4	Very low	39 Å²	39	64.3 Å²	64.3	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	98.5	169	-67.2	-35.3	0	0	0	108.3	D8	D8-N65 PolarHBondContact OD2-ND2 2.79Å
66	V	45.6	Very low	45.5	Very low	6 Å²	6	67.3 Å²	67.3	4%	0.036	36%	0.358	C	S	.	.			trans	-72.8	131	171.8	179.3	0	0	0	0	108.4	I26 V28 L38 P57 I64 H68	I26-V66 CarbonylContact C-O 3.3Å; V28-V66 HydrophobicContact CG2-CB 3.44Å; V28-V66 VanDerWaalsContact CG2-CB 3.44Å; V28-V66 HydrophobicContact CG2-CG2 3.3Å; L38-V66 HydrophobicContact CD2-CB 4.21Å; L38-V66 HydrophobicContact CD2-CG1 4.29Å; L38-V66 HydrophobicContact CD2-CG2 3.38Å; P57-V66 HydrophobicContact CB-CB 4.04Å; P57-V66 HydrophobicContact CB-CG1 4.39Å; P57-V66 HydrophobicContact CB-CG2 3.48Å; P57-V66 VanDerWaalsContact CB-CG2 3.48Å; P57-V66 HydrophobicContact CG-CB 4.44Å; P57-V66 HydrophobicContact CG-CG1 4.46Å; P57-V66 HydrophobicContact CG-CG2 3.64Å; I64-V66 HydrophobicContact CG2-CG2 4.08Å; I64-V66 PolarHBondContact O-N 3.41Å; I64-V66 VanDerWaalsContact O-N 3.08Å; V66-H68 PolarHBondContact O-N 3.49Å
67	I	44.7	Very low	45.7	Very low	24 Å²	24	67 Å²	67	12%	0.123	36%	0.358	C	S	.	.			trans	-96	96.6	172	-65.4	159.7	0	0	0	105.6	A14 C18 C25 L58 L69	A14-I67 HydrophobicContact CB-CD1 3.41Å; A14-I67 VanDerWaalsContact CB-CD1 3.41Å; A14-I67 HydrophobicContact CB-CG1 4.05Å; C18-I67 WeakPolarHBondContact SG-CG2 3.43Å; C25-I67 HydrophobicContact CB-CG2 4.28Å; L58-I67 HydrophobicContact CD1-CD1 3.74Å; I67-L69 HydrophobicContact CG2-CD1 4.47Å
68	H	47.5	Very low	46.2	Very low	23 Å²	23	66 Å²	66	11%	0.106	35%	0.35	C	S	.	.			trans	-62.7	145.7	168.4	-173.3	-107.6	0	0	0	109.6	L24 C25 I26 F54 V66 C70	L24-H68 CarbonylContact C-O 3.6Å; L24-H68 VanDerWaalsContact C-O 3.3Å; L24-H68 CarbonylContact O-C 3.52Å; L24-H68 PolarHBondContact O-ND1 2.87Å; C25-H68 WeakPolarHBondContact CA-O 3.25Å; I26-H68 HydrophobicContact CB-CB 3.82Å; I26-H68 HydrophobicContact CD1-CB 3.9Å; I26-H68 WeakPolarHBondContact CD1-ND1 3.3Å; I26-H68 HydrophobicContact CG1-CB 3.78Å; F54-H68 AromaticContact CD1-CD2 3.74Å; F54-H68 AromaticContact CD1-NE2 3.96Å; F54-H68 AromaticContact CE1-CD2 3.62Å; F54-H68 AromaticContact CE1-NE2 3.37Å; F54-H68 WeakPolarHBondContact CE1-NE2 3.37Å; V66-H68 PolarHBondContact O-N 3.49Å; H68-C70 WeakPolarHBondContact CE1-CB 3.29Å; H68-C70 PolarHBondContact CE1-SG 3.16Å; H68-C70 WeakPolarHBondContact ND1-CB 3.35Å
69	L	42	Very low	46.7	Very low	29 Å²	29	63.7 Å²	63.7	15%	0.152	34%	0.339	C	S	.	.			trans	-123.3	94	173.9	-83.9	113.8	0	0	0	109.6	I23 N53 C55 I67	I23-L69 HydrophobicContact CB-CD2 4.27Å; I23-L69 HydrophobicContact CD1-CD2 3.23Å; I23-L69 HydrophobicContact CD1-CG 4.27Å; I23-L69 HydrophobicContact CG1-CD2 3.78Å; I23-L69 HydrophobicContact CG2-CB 3.74Å; I23-L69 HydrophobicContact CG2-CD2 3.47Å; I23-L69 VanDerWaalsContact CG2-CD2 3.47Å; I23-L69 HydrophobicContact CG2-CG 3.29Å; N53-L69 WeakPolarHBondContact O-CB 3.31Å; C55-L69 HydrophobicContact CB-CD1 3.09Å; C55-L69 WeakPolarHBondContact SG-CD1 3.05Å; I67-L69 HydrophobicContact CG2-CD1 4.47Å
70	C	46.2	Very low	47.3	Very low	4 Å²	4	65.6 Å²	65.6	3%	0.027	34%	0.34	C	S	.	.			trans	-121	117.9	172.7	-95.9	0	0	0	0	109.6	L24 H68 S72 T74	L24-C70 HydrophobicContact CB-CB 3.93Å; L24-C70 WeakPolarHBondContact CB-O 3.42Å; L24-C70 HydrophobicContact CD2-CB 4.12Å; L24-C70 PolarHBondContact N-O 2.92Å; H68-C70 WeakPolarHBondContact CE1-CB 3.29Å; H68-C70 PolarHBondContact CE1-SG 3.16Å; H68-C70 WeakPolarHBondContact ND1-CB 3.35Å; C70-S72 PolarHBondContact O-N 2.93Å; C70-T74 HydrophobicContact CB-CG2 3.21Å; C70-T74 WeakPolarHBondContact SG-CG2 3.28Å
71	H	43.5	Very low	48	Very low	98 Å²	98	65.1 Å²	65.1	45%	0.454	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-69.1	108.5	169.9	179	-80.6	0	0	0	109.8	G22 R73 T74	G22-H71 WeakPolarHBondContact O-CA 3.3Å; H71-R73 CarbonylContact O-C 3.54Å; H71-R73 WeakPolarHBondContact O-CA 3.24Å; H71-R73 PolarHBondContact O-N 3.01Å; H71-T74 VanDerWaalsContact C-CG2 3.41Å; H71-T74 WeakPolarHBondContact O-CG2 3.49Å; H71-T74 PolarHBondContact O-N 3.31Å; H71-T74 VanDerWaalsContact O-N 3.16Å
72	S	44.9	Very low	48.4	Very low	99 Å²	99	62 Å²	62	69%	0.692	30%	0.304	S	S	*	.	S	Bend	trans	-9.9	-32	-177.4	58.7	0	0	0	0	121.6	C70 T74	C70-S72 PolarHBondContact O-N 2.93Å; S72-T74 VanDerWaalsContact C-N 3.26Å; S72-T74 PolarHBondContact O-N 3.16Å
73	R	44.1	Very low	48.7	Very low	165 Å²	165	59.3 Å²	59.3	62%	0.623	29%	0.289	S	S	*	.	S	Bend	trans	-80.4	20.2	171.9	-53.2	-172.9	177	-168.5	-3.5	115	H71 H77	H71-R73 CarbonylContact O-C 3.54Å; H71-R73 WeakPolarHBondContact O-CA 3.24Å; H71-R73 PolarHBondContact O-N 3.01Å; R73-H77 VanDerWaalsContact CB-ND1 3.28Å; R73-H77 WeakPolarHBondContact CB-ND1 3.49Å; R73-H77 VanDerWaalsContact O-CB 3.28Å; R73-H77 WeakPolarHBondContact O-CB 3.19Å; R73-H77 PolarHBondContact O-N 3.01Å; R73-H77 PolarHBondContact O-ND1 2.93Å
74	T	53	Low	49.3	Very low	17 Å²	17	56 Å²	56	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-73.8	-42.6	-157.7	47.2	0	0	0	0	117.3	L52 C70 H71 S72 H77 V78	L52-T74 HydrophobicContact CD2-CG2 3.28Å; C70-T74 HydrophobicContact CB-CG2 3.21Å; C70-T74 WeakPolarHBondContact SG-CG2 3.28Å; H71-T74 VanDerWaalsContact C-CG2 3.41Å; H71-T74 WeakPolarHBondContact O-CG2 3.49Å; H71-T74 PolarHBondContact O-N 3.31Å; H71-T74 VanDerWaalsContact O-N 3.16Å; S72-T74 VanDerWaalsContact C-N 3.26Å; S72-T74 PolarHBondContact O-N 3.16Å; T74-H77 PolarHBondContact O-N 3.22Å; T74-V78 VanDerWaalsContact O-CB 3.28Å; T74-V78 WeakPolarHBondContact O-CB 3.08Å; T74-V78 WeakPolarHBondContact O-CG2 3.47Å; T74-V78 PolarHBondContact O-N 3.38Å
75	V	50.2	Low	50.1	Low	69 Å²	69	59 Å²	59	42%	0.418	30%	0.304	S	S	.	.	H	α-helix	trans	-68.7	-44.7	-176.5	179.7	0	0	0	0	110.6	V78 L79	V75-V78 PolarHBondContact O-N 2.83Å; V75-L79 HydrophobicContact CG1-CD1 4.07Å; V75-L79 WeakPolarHBondContact O-CB 3.08Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.27Å; V75-L79 PolarHBondContact O-N 3.43Å
76	E	47.8	Very low	51.1	Low	123 Å²	123	66.3 Å²	66.3	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-61.2	-44.3	173.2	-71.6	-178.9	168.2	0	0	111.3	V78 L79 L80	E76-V78 PolarHBondContact O-N 2.83Å; E76-L79 PolarHBondContact O-N 2.91Å; E76-L80 VanDerWaalsContact O-CB 3.24Å; E76-L80 WeakPolarHBondContact O-CB 3.32Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.06Å
77	H	52.6	Low	51.7	Low	74 Å²	74	70.1 Å²	70.1	34%	0.343	35%	0.352	S	S	.	.	H	α-helix	trans	-63.5	-39	175.5	-87.5	72	0	0	0	112.7	R73 T74 L80 Q81	R73-H77 VanDerWaalsContact CB-ND1 3.28Å; R73-H77 WeakPolarHBondContact CB-ND1 3.49Å; R73-H77 VanDerWaalsContact O-CB 3.28Å; R73-H77 WeakPolarHBondContact O-CB 3.19Å; R73-H77 PolarHBondContact O-N 3.01Å; R73-H77 PolarHBondContact O-ND1 2.93Å; T74-H77 PolarHBondContact O-N 3.22Å; H77-L80 PolarHBondContact O-N 3.19Å; H77-Q81 WeakPolarHBondContact O-CA 3.45Å; H77-Q81 WeakPolarHBondContact O-CB 3.07Å; H77-Q81 PolarHBondContact O-N 3.38Å
78	V	54.7	Low	52.9	Low	8 Å²	8	72 Å²	72	5%	0.048	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-47.2	176.8	162.2	0	0	0	0	110.5	C49 L52 T74 V75 E76 Q81 A82 V92	C49-V78 HydrophobicContact CB-CG2 4.07Å; C49-V78 VanDerWaalsContact SG-CA 3.52Å; L52-V78 HydrophobicContact CD1-CG2 3.06Å; L52-V78 HydrophobicContact CD2-CG2 4.12Å; L52-V78 HydrophobicContact CG-CG2 3.58Å; T74-V78 VanDerWaalsContact O-CB 3.28Å; T74-V78 WeakPolarHBondContact O-CB 3.08Å; T74-V78 WeakPolarHBondContact O-CG2 3.47Å; T74-V78 PolarHBondContact O-N 3.38Å; V75-V78 PolarHBondContact O-N 2.83Å; E76-V78 PolarHBondContact O-N 2.83Å; V78-Q81 PolarHBondContact O-N 3.36Å; V78-A82 WeakPolarHBondContact O-CB 3.35Å; V78-A82 PolarHBondContact O-N 2.91Å; V78-V92 HydrophobicContact CG1-CG1 3.47Å; V78-V92 VanDerWaalsContact CG1-CG1 3.47Å
79	L	52.3	Low	53.5	Low	36 Å²	36	74.5 Å²	74.5	19%	0.188	38%	0.38	C	S	.	.	H	α-helix	trans	-68	-41.8	179.9	-67.8	173	0	0	0	111.3	V75 E76 L83 I89 L93	V75-L79 HydrophobicContact CG1-CD1 4.07Å; V75-L79 WeakPolarHBondContact O-CB 3.08Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.27Å; V75-L79 PolarHBondContact O-N 3.43Å; E76-L79 PolarHBondContact O-N 2.91Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 2.89Å; L79-I89 HydrophobicContact CD2-CG2 4.22Å; L79-L93 HydrophobicContact CD2-CD2 4.29Å
80	L	56.6	Low	54.7	Low	99 Å²	99	80.4 Å²	80.4	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-43.2	174.9	-74.1	169.9	0	0	0	111.8	E76 H77 L83 V84	E76-L80 VanDerWaalsContact O-CB 3.24Å; E76-L80 WeakPolarHBondContact O-CB 3.32Å; E76-L80 WeakPolarHBondContact O-CG 3.42Å; E76-L80 PolarHBondContact O-N 3.06Å; H77-L80 PolarHBondContact O-N 3.19Å; L80-L83 WeakPolarHBondContact O-CB 3.48Å; L80-L83 PolarHBondContact O-N 2.93Å; L80-V84 VanDerWaalsContact O-CG2 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.28Å; L80-V84 PolarHBondContact O-N 2.94Å
81	Q	55.8	Low	55.6	Low	48 Å²	48	82 Å²	82	22%	0.224	42%	0.416	C	S	.	.	H	α-helix	trans	-66.1	-43.1	177.9	-171.1	65.8	26.1	0	0	110.6	H77 V78 L83 V84 D85	H77-Q81 WeakPolarHBondContact O-CA 3.45Å; H77-Q81 WeakPolarHBondContact O-CB 3.07Å; H77-Q81 PolarHBondContact O-N 3.38Å; V78-Q81 PolarHBondContact O-N 3.36Å; Q81-L83 VanDerWaalsContact C-N 3.26Å; Q81-L83 PolarHBondContact O-N 2.95Å; Q81-V84 WeakPolarHBondContact O-CB 3.29Å; Q81-V84 PolarHBondContact O-N 2.82Å; Q81-V84 VanDerWaalsContact O-N 3.08Å; Q81-D85 WeakPolarHBondContact CG-OD2 3.38Å; Q81-D85 PolarHBondContact NE2-OD1 3.28Å; Q81-D85 PolarHBondContact NE2-OD2 3.32Å; Q81-D85 WeakPolarHBondContact O-CB 3.48Å; Q81-D85 PolarHBondContact O-N 3.46Å
82	A	54.3	Low	56.4	Low	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-59.1	-38.7	174	0	0	0	0	0	112.2	V78 K86 Q87 V92	V78-A82 WeakPolarHBondContact O-CB 3.35Å; V78-A82 PolarHBondContact O-N 2.91Å; A82-K86 PolarHBondContact O-N 3.48Å; A82-Q87 HydrophobicContact CB-CB 4.21Å; A82-Q87 PolarHBondContact O-N 3.43Å; A82-V92 HydrophobicContact CB-CB 4.4Å; A82-V92 HydrophobicContact CB-CG1 4.47Å; A82-V92 HydrophobicContact CB-CG2 3.58Å
83	L	54.8	Low	57.2	Low	102 Å²	102	74.7 Å²	74.7	53%	0.534	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-44.5	172.4	-76.9	167.6	0	0	0	111.9	L79 L80 Q81 K86 I89	L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.36Å; L79-L83 PolarHBondContact O-N 2.89Å; L80-L83 WeakPolarHBondContact O-CB 3.48Å; L80-L83 PolarHBondContact O-N 2.93Å; Q81-L83 VanDerWaalsContact C-N 3.26Å; Q81-L83 PolarHBondContact O-N 2.95Å; L83-K86 PolarHBondContact O-N 3.41Å; L83-I89 HydrophobicContact CD2-CD1 3.56Å; L83-I89 HydrophobicContact CD2-CG1 4.11Å; L83-I89 HydrophobicContact CG-CD1 4.22Å; L83-I89 HydrophobicContact CG-CG1 4.49Å
84	V	56.3	Low	58.4	Low	105 Å²	105	73 Å²	73	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-63.6	-45.8	178.5	169.4	0	0	0	0	111.4	L80 Q81 K86	L80-V84 VanDerWaalsContact O-CG2 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.28Å; L80-V84 PolarHBondContact O-N 2.94Å; Q81-V84 WeakPolarHBondContact O-CB 3.29Å; Q81-V84 PolarHBondContact O-N 2.82Å; Q81-V84 VanDerWaalsContact O-N 3.08Å; V84-K86 PolarHBondContact O-N 3.33Å
85	D	61.6	Low	58.9	Low	70 Å²	70	73.1 Å²	73.1	37%	0.374	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	6	-178	-67.2	-27.7	0	0	0	112.9	Q81 Q87	Q81-D85 WeakPolarHBondContact CG-OD2 3.38Å; Q81-D85 PolarHBondContact NE2-OD1 3.28Å; Q81-D85 PolarHBondContact NE2-OD2 3.32Å; Q81-D85 WeakPolarHBondContact O-CB 3.48Å; Q81-D85 PolarHBondContact O-N 3.46Å; D85-Q87 HydrophobicContact CB-CG 4.16Å; D85-Q87 PolarHBondContact O-N 3.49Å; D85-Q87 VanDerWaalsContact O-N 3.07Å
86	K	63.9	Low	59.6	Low	194 Å²	194	71 Å²	71	84%	0.843	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	24.2	-177.7	-55.2	177	-179.3	176.4	0	113.3	A82 L83 V84	A82-K86 PolarHBondContact O-N 3.48Å; L83-K86 PolarHBondContact O-N 3.41Å; V84-K86 PolarHBondContact O-N 3.33Å
87	Q	59.9	Low	60.3	Low	85 Å²	85	72.9 Å²	72.9	40%	0.397	36%	0.359	S	S	.	.			trans	-68.4	144.7	173.3	-71.3	-67.4	-12.1	0	0	109	V48 A82 D85 I89 V92	V48-Q87 HydrophobicContact CG1-CG 4.45Å; A82-Q87 HydrophobicContact CB-CB 4.21Å; A82-Q87 PolarHBondContact O-N 3.43Å; D85-Q87 HydrophobicContact CB-CG 4.16Å; D85-Q87 PolarHBondContact O-N 3.49Å; D85-Q87 VanDerWaalsContact O-N 3.07Å; Q87-I89 PolarHBondContact O-N 3.35Å; Q87-V92 HydrophobicContact CB-CG2 4.23Å
88	S	68.3	Low	60.8	Low	64 Å²	64	74.5 Å²	74.5	45%	0.448	36%	0.362	S	S	.	.			trans	-65.1	117.8	176.1	84.1	0	0	0	0	108.2	K90 S91 V92	S88-K90 PolarHBondContact O-N 2.85Å; S88-S91 PolarHBondContact O-N 3.17Å; S88-S91 PolarHBondContact O-OG 2.75Å; S88-S91 WeakPolarHBondContact OG-CB 3.38Å; S88-S91 PolarHBondContact OG-N 2.96Å; S88-S91 PolarHBondContact OG-OG 2.74Å; S88-V92 PolarHBondContact O-N 3.26Å
89	I	61.3	Low	61.2	Low	75 Å²	75	74.8 Å²	74.8	39%	0.385	36%	0.363	S	S	.	.	H	α-helix	trans	-51	-32.9	174.6	-56	171.6	0	0	0	109.9	L79 L83 Q87 V92 L93	L79-I89 HydrophobicContact CD2-CG2 4.22Å; L83-I89 HydrophobicContact CD2-CD1 3.56Å; L83-I89 HydrophobicContact CD2-CG1 4.11Å; L83-I89 HydrophobicContact CG-CD1 4.22Å; L83-I89 HydrophobicContact CG-CG1 4.49Å; Q87-I89 PolarHBondContact O-N 3.35Å; I89-V92 PolarHBondContact O-N 3.18Å; I89-L93 HydrophobicContact CG2-CD1 3.93Å; I89-L93 HydrophobicContact CG2-CG 4.23Å; I89-L93 WeakPolarHBondContact O-CB 3.43Å; I89-L93 VanDerWaalsContact O-CG 3.28Å; I89-L93 WeakPolarHBondContact O-CG 3.39Å; I89-L93 PolarHBondContact O-N 3Å
90	K	66.2	Low	61.6	Low	153 Å²	153	75.3 Å²	75.3	67%	0.665	37%	0.366	S	S	*	.	H	α-helix	trans	-62.3	-38.8	174.7	-166.3	175.1	-176.4	177.3	0	113.9	S88 K94	S88-K90 PolarHBondContact O-N 2.85Å; K90-K94 WeakPolarHBondContact O-CB 3.47Å; K90-K94 VanDerWaalsContact O-CG 3.28Å; K90-K94 WeakPolarHBondContact O-CG 3.21Å; K90-K94 PolarHBondContact O-N 3.49Å; K90-K94 VanDerWaalsContact O-N 3.09Å
91	S	65.9	Low	61.9	Low	38 Å²	38	74.3 Å²	74.3	27%	0.266	37%	0.368	S	S	.	.	H	α-helix	trans	-70.5	-43.5	175.7	55.4	0	0	0	0	110.8	S88 L93 K94 L95	S88-S91 PolarHBondContact O-N 3.17Å; S88-S91 PolarHBondContact O-OG 2.75Å; S88-S91 WeakPolarHBondContact OG-CB 3.38Å; S88-S91 PolarHBondContact OG-N 2.96Å; S88-S91 PolarHBondContact OG-OG 2.74Å; S91-L93 PolarHBondContact O-N 3.49Å; S91-K94 WeakPolarHBondContact O-CB 3.48Å; S91-K94 PolarHBondContact O-N 2.91Å; S91-K94 VanDerWaalsContact O-N 3.12Å; S91-L95 WeakPolarHBondContact O-CG 3.28Å; S91-L95 PolarHBondContact O-N 3.36Å
92	V	59.8	Low	62	Low	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.6	-48.2	177.7	-173.5	0	0	0	0	110.8	V48 V78 A82 Q87 S88 I89 K94 L95 C96	V48-V92 HydrophobicContact CG1-CB 4.38Å; V48-V92 HydrophobicContact CG1-CG1 4.18Å; V48-V92 HydrophobicContact CG1-CG2 3.46Å; V48-V92 VanDerWaalsContact CG1-CG2 3.46Å; V78-V92 HydrophobicContact CG1-CG1 3.47Å; V78-V92 VanDerWaalsContact CG1-CG1 3.47Å; A82-V92 HydrophobicContact CB-CB 4.4Å; A82-V92 HydrophobicContact CB-CG1 4.47Å; A82-V92 HydrophobicContact CB-CG2 3.58Å; Q87-V92 HydrophobicContact CB-CG2 4.23Å; S88-V92 PolarHBondContact O-N 3.26Å; I89-V92 PolarHBondContact O-N 3.18Å; V92-K94 VanDerWaalsContact C-N 3.3Å; V92-K94 PolarHBondContact O-N 2.93Å; V92-L95 WeakPolarHBondContact O-CB 3.47Å; V92-L95 PolarHBondContact O-N 2.89Å; V92-L95 VanDerWaalsContact O-N 3.12Å; V92-C96 PolarHBondContact O-N 3.23Å; V92-C96 PolarHBondContact O-SG 2.82Å
93	L	62.8	Low	62	Low	43 Å²	43	75.3 Å²	75.3	23%	0.225	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-34.1	175.4	-71.8	174.2	0	0	0	112.9	L79 I89 S91 R97 L149	L79-L93 HydrophobicContact CD2-CD2 4.29Å; I89-L93 HydrophobicContact CG2-CD1 3.93Å; I89-L93 HydrophobicContact CG2-CG 4.23Å; I89-L93 WeakPolarHBondContact O-CB 3.43Å; I89-L93 VanDerWaalsContact O-CG 3.28Å; I89-L93 WeakPolarHBondContact O-CG 3.39Å; I89-L93 PolarHBondContact O-N 3Å; S91-L93 PolarHBondContact O-N 3.49Å; L93-R97 WeakPolarHBondContact O-CB 3.28Å; L93-R97 VanDerWaalsContact O-CG 3.29Å; L93-R97 WeakPolarHBondContact O-CG 3.5Å; L93-R97 PolarHBondContact O-N 3.08Å; L93-L149 HydrophobicContact CD1-CD1 4.22Å; L93-L149 HydrophobicContact CD1-CD2 4.29Å; L93-L149 HydrophobicContact CD2-CD1 4.35Å
94	K	68.3	Low	61.9	Low	130 Å²	130	75.8 Å²	75.8	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-42.7	173	-82.3	177.6	177.5	-172.6	0	111.5	K90 S91 V92 R97 R98	K90-K94 WeakPolarHBondContact O-CB 3.47Å; K90-K94 VanDerWaalsContact O-CG 3.28Å; K90-K94 WeakPolarHBondContact O-CG 3.21Å; K90-K94 PolarHBondContact O-N 3.49Å; K90-K94 VanDerWaalsContact O-N 3.09Å; S91-K94 WeakPolarHBondContact O-CB 3.48Å; S91-K94 PolarHBondContact O-N 2.91Å; S91-K94 VanDerWaalsContact O-N 3.12Å; V92-K94 VanDerWaalsContact C-N 3.3Å; V92-K94 PolarHBondContact O-N 2.93Å; K94-R97 PolarHBondContact O-N 3.07Å; K94-R98 WeakPolarHBondContact O-CG 3.3Å; K94-R98 PolarHBondContact O-N 3.48Å
95	L	64	Low	61.4	Low	20 Å²	20	75.4 Å²	75.4	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-46.6	175.8	-67	174.3	0	0	0	111	L41 Q44 L45 V48 S91 V92 R97 R98 L99	L41-L95 HydrophobicContact CD2-CD2 3.95Å; Q44-L95 HydrophobicContact CB-CD1 4.23Å; Q44-L95 HydrophobicContact CB-CD2 4.27Å; L45-L95 HydrophobicContact CD2-CB 3.64Å; L45-L95 HydrophobicContact CD2-CD1 4.19Å; L45-L95 HydrophobicContact CG-CB 4.28Å; V48-L95 HydrophobicContact CG2-CD1 4.12Å; S91-L95 WeakPolarHBondContact O-CG 3.28Å; S91-L95 PolarHBondContact O-N 3.36Å; V92-L95 WeakPolarHBondContact O-CB 3.47Å; V92-L95 PolarHBondContact O-N 2.89Å; V92-L95 VanDerWaalsContact O-N 3.12Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 2.91Å; L95-R98 PolarHBondContact O-N 3.42Å; L95-L99 PolarHBondContact O-N 2.96Å
96	C	64.9	Low	60.6	Low	24 Å²	24	77.1 Å²	77.1	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-59.4	-41.1	175.8	-64.3	0	0	0	0	112.4	V92 L99 D100 F145	V92-C96 PolarHBondContact O-N 3.23Å; V92-C96 PolarHBondContact O-SG 2.82Å; C96-L99 PolarHBondContact O-N 3.47Å; C96-D100 WeakPolarHBondContact O-CB 3.44Å; C96-D100 PolarHBondContact O-N 3.12Å; C96-F145 HydrophobicContact CB-CE1 3.99Å; C96-F145 HydrophobicContact CB-CZ 4.36Å
97	R	63.1	Low	59.3	Low	163 Å²	163	72.7 Å²	72.7	62%	0.615	38%	0.379	S	S	*	.	H	α-helix	trans	-67.5	-38.7	175.5	-75.4	178.8	-174.5	-176	1.9	112.9	L93 K94 L95 L99 D100 S101	L93-R97 WeakPolarHBondContact O-CB 3.28Å; L93-R97 VanDerWaalsContact O-CG 3.29Å; L93-R97 WeakPolarHBondContact O-CG 3.5Å; L93-R97 PolarHBondContact O-N 3.08Å; K94-R97 PolarHBondContact O-N 3.07Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 2.91Å; R97-L99 VanDerWaalsContact C-N 3.34Å; R97-D100 PolarHBondContact O-N 3.12Å; R97-S101 PolarHBondContact O-N 3.34Å; R97-S101 PolarHBondContact O-OG 3.21Å
98	R	62.3	Low	58	Low	108 Å²	108	78.2 Å²	78.2	41%	0.408	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-43.7	174.4	-77.4	-175.7	70.9	-170	-0	111	E37 L41 K94 L95 S101 L102	E37-R98 IonicContact OE1-CZ 3.96Å; E37-R98 IonicContact OE1-NH2 2.94Å; E37-R98 PolarHBondContact OE1-NH2 3.15Å; L41-R98 HydrophobicContact CD1-CB 4.22Å; L41-R98 HydrophobicContact CD2-CB 4.07Å; K94-R98 WeakPolarHBondContact O-CG 3.3Å; K94-R98 PolarHBondContact O-N 3.48Å; L95-R98 PolarHBondContact O-N 3.42Å; R98-S101 PolarHBondContact O-N 3.46Å; R98-L102 PolarHBondContact O-N 3.1Å
99	L	63.2	Low	56	Low	14 Å²	14	84 Å²	84	7%	0.073	42%	0.422	C	S	.	.	H	α-helix	trans	-58.4	-52.4	173.3	-176.6	68.1	0	0	0	109.9	L38 L45 L95 C96 R97 S101 L102 L103	L38-L99 HydrophobicContact CD1-CD1 3.51Å; L45-L99 HydrophobicContact CD1-CB 4.48Å; L45-L99 HydrophobicContact CD1-CD2 3.82Å; L95-L99 PolarHBondContact O-N 2.96Å; C96-L99 PolarHBondContact O-N 3.47Å; R97-L99 VanDerWaalsContact C-N 3.34Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.01Å; L99-L102 PolarHBondContact O-N 2.86Å; L99-L103 HydrophobicContact CD1-CD1 4.27Å; L99-L103 HydrophobicContact CD1-CG 4.26Å; L99-L103 HydrophobicContact CG-CD1 4Å; L99-L103 HydrophobicContact CG-CG 4.26Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.08Å
100	D	60.6	Low	54.4	Low	46 Å²	46	89.3 Å²	89.3	25%	0.246	45%	0.445	C	S	.	.	H	α-helix	trans	-53.1	-49.1	177.7	-169.8	65	0	0	0	112	C96 R97 L102 L103 Q104 F145	C96-D100 WeakPolarHBondContact O-CB 3.44Å; C96-D100 PolarHBondContact O-N 3.12Å; R97-D100 PolarHBondContact O-N 3.12Å; D100-L102 VanDerWaalsContact C-N 3.33Å; D100-L102 PolarHBondContact O-N 2.8Å; D100-L103 CarbonylContact O-C 3.15Å; D100-L103 WeakPolarHBondContact O-CA 3.26Å; D100-L103 PolarHBondContact O-N 3.33Å; D100-Q104 WeakPolarHBondContact O-CG 3.45Å; D100-Q104 PolarHBondContact O-N 3.48Å; D100-Q104 PolarHBondContact OD2-NE2 3.09Å; D100-F145 HydrophobicContact CB-CD2 4.18Å; D100-F145 HydrophobicContact CB-CE2 3.69Å; D100-F145 HydrophobicContact CB-CZ 4.36Å; D100-F145 WeakPolarHBondContact OD1-CD2 3.36Å; D100-F145 VanDerWaalsContact OD1-CE2 3.28Å; D100-F145 WeakPolarHBondContact OD1-CE2 3.4Å
101	S	63	Low	52.6	Low	79 Å²	79	88.9 Å²	88.9	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-58.4	-37.9	176.5	-68.1	0	0	0	0	114	R97 R98 L99 L103	R97-S101 PolarHBondContact O-N 3.34Å; R97-S101 PolarHBondContact O-OG 3.21Å; R98-S101 PolarHBondContact O-N 3.46Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 3.01Å; S101-L103 VanDerWaalsContact C-N 3.33Å
102	L	57.3	Low	50.6	Low	25 Å²	25	90 Å²	90	13%	0.131	47%	0.472	C	S	.	.	H	α-helix	trans	-72.1	-30	175.5	-75.7	172.2	0	0	0	112.7	E37 L41 R98 L99 D100	E37-L102 HydrophobicContact CG-CD1 4.01Å; L41-L102 HydrophobicContact CD1-CD1 3.11Å; L41-L102 HydrophobicContact CD1-CG 4.38Å; R98-L102 PolarHBondContact O-N 3.1Å; L99-L102 PolarHBondContact O-N 2.86Å; D100-L102 VanDerWaalsContact C-N 3.33Å; D100-L102 PolarHBondContact O-N 2.8Å
103	L	54.5	Low	49.2	Very low	44 Å²	44	95.9 Å²	95.9	23%	0.23	51%	0.509	C	S	.	.	H	α-helix	trans	-83.1	-16.2	177.6	-61.6	-169.4	0	0	0	112.8	V28 L99 D100 S101	V28-L103 HydrophobicContact CB-CD2 3.7Å; V28-L103 HydrophobicContact CG1-CD1 4.39Å; V28-L103 HydrophobicContact CG1-CD2 3.27Å; V28-L103 HydrophobicContact CG1-CG 4.4Å; V28-L103 HydrophobicContact CG2-CD2 4.41Å; L99-L103 HydrophobicContact CD1-CD1 4.27Å; L99-L103 HydrophobicContact CD1-CG 4.26Å; L99-L103 HydrophobicContact CG-CD1 4Å; L99-L103 HydrophobicContact CG-CG 4.26Å; L99-L103 VanDerWaalsContact O-CG 3.26Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.08Å; D100-L103 CarbonylContact O-C 3.15Å; D100-L103 WeakPolarHBondContact O-CA 3.26Å; D100-L103 PolarHBondContact O-N 3.33Å; S101-L103 VanDerWaalsContact C-N 3.33Å
104	Q	52.1	Low	47.6	Very low	112 Å²	112	104.3 Å²	104.3	52%	0.523	54%	0.544	S	S	.	.	S	Bend	trans	-57.8	129.1	173.4	-71.6	-168.7	10.4	0	0	108.8	D100 V106	D100-Q104 WeakPolarHBondContact O-CG 3.45Å; D100-Q104 PolarHBondContact O-N 3.48Å; D100-Q104 PolarHBondContact OD2-NE2 3.09Å; Q104-V106 PolarHBondContact O-N 2.9Å; Q104-V106 VanDerWaalsContact O-N 3.12Å
105	P	46	Very low	45.5	Very low	96 Å²	96	101.3 Å²	101.3	62%	0.623	55%	0.55	S	S	*	.			trans	-57	126.9	176.6	23.4	-31.5	0	0	0	107.6	S107	P105-S107 VanDerWaalsContact C-N 3.25Å; P105-S107 PolarHBondContact O-N 3.25Å
106	V	44.9	Very low	43.6	Very low	106 Å²	106	109.6 Å²	109.6	64%	0.642	59%	0.588	S	S	*	*			trans	-53.4	101.4	168.9	-176.9	0	0	0	0	105.7	Q104 K108	Q104-V106 PolarHBondContact O-N 2.9Å; Q104-V106 VanDerWaalsContact O-N 3.12Å; V106-K108 PolarHBondContact O-N 3.3Å; V106-K108 VanDerWaalsContact O-N 3.1Å
107	S	36.8	Very low	41.8	Very low	101 Å²	101	116.3 Å²	116.3	71%	0.706	62%	0.621	S	S	*	*			trans	-58.5	122.9	-177	-68.2	0	0	0	0	105.6	P105 Q109	P105-S107 VanDerWaalsContact C-N 3.25Å; P105-S107 PolarHBondContact O-N 3.25Å; S107-Q109 PolarHBondContact O-N 2.85Å
108	K	33.2	Very low	40	Very low	201 Å²	201	113.7 Å²	113.7	87%	0.874	63%	0.628	S	S	*	*			trans	-56.5	82.6	-178.5	-68.7	174.7	175.8	176.9	0	110.5	V106	V106-K108 PolarHBondContact O-N 3.3Å; V106-K108 VanDerWaalsContact O-N 3.1Å
109	Q	26.5	Very low	38.2	Very low	186 Å²	186	117.1 Å²	117.1	87%	0.869	65%	0.651	S	S	*	*			trans	-107	81.6	161.2	-105.2	-173.5	-19	0	0	106.9	S107	S107-Q109 PolarHBondContact O-N 2.85Å
110	Q	27.5	Very low	36.8	Very low	186 Å²	186	123.4 Å²	123.4	87%	0.869	69%	0.689	S	S	*	*			trans	-179.6	69.7	142.3	-97.3	174.2	20.7	0	0	107.6	G112	Q110-G112 PolarHBondContact O-N 3.42Å
111	V	28.4	Very low	35.3	Very low	145 Å²	145	126.1 Å²	126.1	88%	0.879	71%	0.712	S	S	*	*			trans	-78.1	78.6	143.7	-179.6	0	0	0	0	104.3
112	G	24	Very low	34	Very low	60 Å²	60	128 Å²	128	62%	0.619	72%	0.723	S	S	*	*			trans	-119.2	87.6	177.4	0	0	0	0	0	108.4	Q110	Q110-G112 PolarHBondContact O-N 3.42Å
113	T	30.8	Very low	32.8	Very low	125 Å²	125	133.1 Å²	133.1	77%	0.767	75%	0.754	S	S	*	*			trans	-10.1	116.8	158.9	-37.9	0	0	0	0	115.9
114	F	28.6	Very low	31.4	Very low	220 Å²	220	137.8 Å²	137.8	97%	0.965	78%	0.78	S	S	*	*			trans	179.5	116.5	149.4	-95.9	-73.6	0	0	0	105.7
115	G	23	Very low	30.4	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	79%	0.793	S	S	*	*			cis	-170.8	159	1.1	0	0	0	0	0	107.5
116	E	25.2	Very low	29.5	Very low	194 Å²	194	141.2 Å²	141.2	91%	0.907	80%	0.799	S	S	*	*			trans	-37.8	138.5	165.2	-74.2	152.6	76.4	0	0	113.4
117	L	27.5	Very low	28.9	Very low	166 Å²	166	144 Å²	144	87%	0.869	81%	0.808	S	S	*	*			trans	168.5	119.4	151	-89.3	166.9	0	0	0	104.4
118	S	23.7	Very low	28.3	Very low	107 Å²	107	150 Å²	150	75%	0.748	82%	0.816	S	S	*	*			cis	-163.7	156.2	5.3	-120.9	0	0	0	0	107.5	V120	S118-V120 PolarHBondContact O-N 3.1Å
119	M	26	Very low	28.3	Very low	180 Å²	180	151.2 Å²	151.2	89%	0.887	82%	0.815	S	S	*	*			trans	-46.3	129.2	174.3	-65.3	-178	179.1	0	0	113.7
120	V	33.1	Very low	28.7	Very low	146 Å²	146	147.2 Å²	147.2	89%	0.885	81%	0.805	S	S	*	*			trans	-139.3	128.6	140.6	-172.3	0	0	0	0	109.1	S118	S118-V120 PolarHBondContact O-N 3.1Å
121	S	29.1	Very low	28.7	Very low	103 Å²	103	145.7 Å²	145.7	72%	0.72	80%	0.803	S	S	*	*			trans	-70.9	176.2	-167.5	-58.5	0	0	0	0	115.2
122	P	35.7	Very low	28.7	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	80%	0.799	S	S	*	*			trans	-94.5	148.3	-147.4	37.6	-34.2	0	0	0	113.5
123	V	31.9	Very low	29.1	Very low	132 Å²	132	147 Å²	147	80%	0.8	81%	0.806	S	S	*	*			trans	-116.9	108	159.8	169.9	0	0	0	0	108.7	Q125	V123-Q125 PolarHBondContact O-N 3.48Å
124	D	26.1	Very low	28.8	Very low	142 Å²	142	146 Å²	146	76%	0.759	80%	0.804	S	S	*	*			trans	-57.8	113.5	164.9	-134.8	-68.5	0	0	0	109.8
125	Q	29.5	Very low	28.8	Very low	173 Å²	173	140.7 Å²	140.7	81%	0.808	79%	0.79	S	S	*	*			trans	-138.2	105.3	153.6	-82.6	-166.8	14.2	0	0	109.8	V123 I127	V123-Q125 PolarHBondContact O-N 3.48Å; Q125-I127 PolarHBondContact O-N 3.46Å
126	S	27.8	Very low	29.1	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	80%	0.796	S	S	*	*			trans	-43.3	110	167.5	-86.8	0	0	0	0	113.2
127	I	31.7	Very low	29.1	Very low	165 Å²	165	144 Å²	144	85%	0.846	79%	0.785	S	S	*	*			trans	-128.6	94.1	151.5	-57.5	179.4	0	0	0	107.4	Q125	Q125-I127 PolarHBondContact O-N 3.46Å
128	R	25.5	Very low	29.1	Very low	228 Å²	228	139 Å²	139	86%	0.86	77%	0.773	S	S	*	*			trans	-89.4	112	168.9	-89.1	-173.7	170.1	-166.4	-1.8	109
129	R	32	Very low	29.3	Very low	226 Å²	226	139.3 Å²	139.3	85%	0.853	77%	0.765	S	S	*	*				155.9	156.5	123.2	-86.8	-169.6	-177.1	-171.6	3.1	113.7
130	P	36.2	Very low	29.4	Very low	102 Å²	102	137.3 Å²	137.3	66%	0.662	76%	0.757	S	S	*	*				-112.5	159.7	-122.6	41.1	-36.2	0	0	0	116.7
131	N	26.6	Very low	29.2	Very low	153 Å²	153	134 Å²	134	82%	0.818	74%	0.737	S	S	*	*			trans	59.8	94.9	141.5	-62.7	-15	0	0	0	119
132	S	28.8	Very low	29.1	Very low	116 Å²	116	136.4 Å²	136.4	81%	0.811	74%	0.737	S	S	*	*			trans	-118.2	128.8	137.1	-67.9	0	0	0	0	108.1
133	P	32.9	Very low	28.7	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	71%	0.714	S	S	*	*			trans	-65	140	-163.9	25.1	-32.5	0	0	0	111.5	T135	P133-T135 PolarHBondContact O-N 3.4Å
134	S	24.8	Very low	28.5	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	70%	0.704	S	S	*	*			trans	-51	90.1	173.5	-123.4	0	0	0	0	111.3	K136	S134-K136 PolarHBondContact O-N 2.94Å
135	T	27.4	Very low	28.6	Very low	108 Å²	108	130.4 Å²	130.4	66%	0.663	69%	0.688	S	S	*	*			trans	-73.1	77.6	154.1	29.5	0	0	0	0	107.3	P133 Q137	P133-T135 PolarHBondContact O-N 3.4Å; T135-Q137 HydrophobicContact CG2-CG 3.93Å; T135-Q137 PolarHBondContact O-N 2.91Å
136	K	29.8	Very low	28.3	Very low	187 Å²	187	131 Å²	131	81%	0.813	68%	0.683	S	S	*	*			trans	-66	62.6	151.8	-70.8	-176.6	179	177.7	0	107.6	S134 G138	S134-K136 PolarHBondContact O-N 2.94Å; K136-G138 PolarHBondContact O-N 3.43Å
137	Q	25.9	Very low	28.2	Very low	141 Å²	141	134.2 Å²	134.2	66%	0.659	69%	0.686	S	S	*	*			trans	-76.6	76.3	172.5	-83.5	175.8	-10	0	0	107.1	T135 I139	T135-Q137 HydrophobicContact CG2-CG 3.93Å; T135-Q137 PolarHBondContact O-N 2.91Å; Q137-I139 HydrophobicContact CB-CG1 4.43Å; Q137-I139 PolarHBondContact O-N 2.82Å; Q137-I139 VanDerWaalsContact O-N 3.12Å
138	G	27.8	Very low	27.9	Very low	61 Å²	61	131.6 Å²	131.6	63%	0.629	67%	0.673	S	S	*	*			trans	-59.9	106.2	138.8	0	0	0	0	0	104.6	K136 I140	K136-G138 PolarHBondContact O-N 3.43Å; G138-I140 PolarHBondContact O-N 2.83Å
139	I	27.6	Very low	27.9	Very low	114 Å²	114	124.2 Å²	124.2	59%	0.585	65%	0.65	S	S	*	*			trans	-69.1	88.7	171.9	-59.5	176	0	0	0	104.8	Q137 V141	Q137-I139 HydrophobicContact CB-CG1 4.43Å; Q137-I139 PolarHBondContact O-N 2.82Å; Q137-I139 VanDerWaalsContact O-N 3.12Å; I139-V141 VanDerWaalsContact C-N 3.3Å; I139-V141 HydrophobicContact CG2-CG2 3.88Å; I139-V141 PolarHBondContact O-N 2.92Å; I139-V141 VanDerWaalsContact O-N 3.09Å
140	I	26.7	Very low	27.7	Very low	139 Å²	139	122 Å²	122	71%	0.713	65%	0.647	S	S	*	*			trans	-69.9	97.1	164.7	-61.4	170.8	0	0	0	103.6	G138 Q142	G138-I140 PolarHBondContact O-N 2.83Å; I140-Q142 PolarHBondContact O-N 2.78Å
141	V	29.8	Very low	27.1	Very low	77 Å²	77	126.8 Å²	126.8	47%	0.467	66%	0.66	S	S	.	*			trans	-73	88.7	162.6	-173.8	0	0	0	0	104.4	I139 C143	I139-V141 VanDerWaalsContact C-N 3.3Å; I139-V141 HydrophobicContact CG2-CG2 3.88Å; I139-V141 PolarHBondContact O-N 2.92Å; I139-V141 VanDerWaalsContact O-N 3.09Å; V141-C143 PolarHBondContact O-N 2.97Å
142	Q	26.9	Very low	27.2	Very low	152 Å²	152	125.5 Å²	125.5	71%	0.71	66%	0.663	S	S	*	*			trans	-58.7	100	158.4	-163.2	176.2	15.8	0	0	103.6	I140 E144	I140-Q142 PolarHBondContact O-N 2.78Å; Q142-E144 PolarHBondContact O-N 3.03Å
143	C	27.6	Very low	27.2	Very low	45 Å²	45	122.4 Å²	122.4	30%	0.304	65%	0.65	S	S	.	*			trans	-59.6	93.2	159.9	-81.3	0	0	0	0	103.8	V141 F145	V141-C143 PolarHBondContact O-N 2.97Å; C143-F145 HydrophobicContact CB-CD2 4.09Å; C143-F145 HydrophobicContact CB-CE2 4.07Å; C143-F145 PolarHBondContact O-N 2.77Å
144	E	26.3	Very low	27.3	Very low	125 Å²	125	126.4 Å²	126.4	58%	0.584	66%	0.655	S	S	*	*			trans	-60.7	87.5	160.2	-79.7	-159.3	153.9	0	0	104.6	Q142 R146	Q142-E144 PolarHBondContact O-N 3.03Å; E144-R146 HydrophobicContact CB-CB 4.39Å; E144-R146 HydrophobicContact CB-CG 4.19Å; E144-R146 PolarHBondContact O-N 3.24Å; E144-R146 VanDerWaalsContact OE2-CD 3.3Å; E144-R146 WeakPolarHBondContact OE2-CD 3.12Å; E144-R146 WeakPolarHBondContact OE2-CG 3.16Å; E144-R146 IonicContact OE2-CZ 2.78Å; E144-R146 IonicContact OE2-NE 2.77Å; E144-R146 PolarHBondContact OE2-NE 3.36Å
145	F	28.4	Very low	27.7	Very low	98 Å²	98	128.4 Å²	128.4	43%	0.43	66%	0.663	S	S	.	*			trans	-61.1	65	141.4	-72.8	-84.7	0	0	0	105.6	C96 D100 C143 Q147	C96-F145 HydrophobicContact CB-CE1 3.99Å; C96-F145 HydrophobicContact CB-CZ 4.36Å; D100-F145 HydrophobicContact CB-CD2 4.18Å; D100-F145 HydrophobicContact CB-CE2 3.69Å; D100-F145 HydrophobicContact CB-CZ 4.36Å; D100-F145 WeakPolarHBondContact OD1-CD2 3.36Å; D100-F145 VanDerWaalsContact OD1-CE2 3.28Å; D100-F145 WeakPolarHBondContact OD1-CE2 3.4Å; C143-F145 HydrophobicContact CB-CD2 4.09Å; C143-F145 HydrophobicContact CB-CE2 4.07Å; C143-F145 PolarHBondContact O-N 2.77Å; F145-Q147 PolarHBondContact O-N 3.22Å
146	R	24.9	Very low	28.1	Very low	187 Å²	187	138.5 Å²	138.5	71%	0.706	69%	0.689	S	S	*	*			trans	-55.7	101.9	164.8	-111.6	-179.1	-177.1	-143.5	-6.9	102.9	E144 I148	E144-R146 HydrophobicContact CB-CB 4.39Å; E144-R146 HydrophobicContact CB-CG 4.19Å; E144-R146 PolarHBondContact O-N 3.24Å; E144-R146 VanDerWaalsContact OE2-CD 3.3Å; E144-R146 WeakPolarHBondContact OE2-CD 3.12Å; E144-R146 WeakPolarHBondContact OE2-CG 3.16Å; E144-R146 IonicContact OE2-CZ 2.78Å; E144-R146 IonicContact OE2-NE 2.77Å; E144-R146 PolarHBondContact OE2-NE 3.36Å; R146-I148 WeakPolarHBondContact O-CG1 3.35Å; R146-I148 PolarHBondContact O-N 3.07Å
147	Q	24.5	Very low	28	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.804	68%	0.683	S	S	*	*			trans	0.9	58.5	147.8	-147	171.4	0.4	0	0	115	F145 L149	F145-Q147 PolarHBondContact O-N 3.22Å; Q147-L149 PolarHBondContact O-N 2.88Å; Q147-L149 VanDerWaalsContact O-N 3.08Å
148	I	25.2	Very low	28.1	Very low	110 Å²	110	135.8 Å²	135.8	56%	0.564	68%	0.684	S	S	*	*			trans	-84.5	59.5	156.1	-55.8	160.7	0	0	0	104.5	R146	R146-I148 WeakPolarHBondContact O-CG1 3.35Å; R146-I148 PolarHBondContact O-N 3.07Å
149	L	25.8	Very low	28.2	Very low	74 Å²	74	139.9 Å²	139.9	39%	0.387	69%	0.687	S	S	.	*			trans	-144.6	117	170.7	-102.6	159.8	0	0	0	102.5	L93 Q147	L93-L149 HydrophobicContact CD1-CD1 4.22Å; L93-L149 HydrophobicContact CD1-CD2 4.29Å; L93-L149 HydrophobicContact CD2-CD1 4.35Å; Q147-L149 PolarHBondContact O-N 2.88Å; Q147-L149 VanDerWaalsContact O-N 3.08Å
150	F	27	Very low	28.2	Very low	180 Å²	180	141.5 Å²	141.5	79%	0.789	69%	0.693	S	S	*	*	S	Bend	trans	96.2	48.2	-179.9	-67	-91.1	0	0	0	118.2
151	E	25.3	Very low	28.3	Very low	201 Å²	201	141.6 Å²	141.6	94%	0.939	69%	0.692	S	S	*	*	S	Bend	trans	-138.2	31.2	136.2	-83.4	-154.6	132.7	0	0	112.6
152	S	28.3	Very low	28.2	Very low	126 Å²	126	145.9 Å²	145.9	88%	0.881	71%	0.707	S	S	*	*	S	Bend	trans	-120.8	46	157.5	45.3	0	0	0	0	109.7
153	G	27.5	Very low	28.3	Very low	51 Å²	51	145.5 Å²	145.5	53%	0.526	71%	0.707	S	S	.	*			trans	-99.7	137	153.8	0	0	0	0	0	108.8
154	K	34.8	Very low	28.3	Very low	203 Å²	203	153.2 Å²	153.2	88%	0.883	74%	0.738	S	S	*	*			trans	74.8	77.3	164.9	-55.4	176.2	178.9	173.3	0	117
155	T	34.2	Very low	28.5	Very low	146 Å²	146	155.6 Å²	155.6	90%	0.896	75%	0.751	S	S	*	*				-105.9	115.2	127.6	43.2	0	0	0	0	107.2
156	R	36.2	Very low	28.5	Very low	319 Å²	319	160.8 Å²	160.8	100%	1.204	78%	0.78	S	S	*	*			trans	-54.8	0	168.6	-74.2	174.4	165.2	178	-5.6	111

Retrieved 156 of 156 residues in 27.5 ms (Link to these results)

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