G4VB31_SCHMA Loading...

Smp_200540

AlphaFold DB , UniProt , Accession G4VB31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 79 aa.

						>G4VB31_SCHMA|G4VB31
MRVIQAHIHTESYQKKKNRSQQLINYIILEVLVVEIIYCKVPFQNDCLQFPLMKQYYIHNKCNSKCLLTDINNVNCISF
					

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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	51.6	Low	55.9	Low	222 Å²	222	130.2 Å²	130.2	100%	1.094	65%	0.649	S	S	*	*				0	59.5	0	-71.9	-175.7	-174.8	0	0	112.8
2	R	49.3	Very low	56.8	Low	231 Å²	231	123.8 Å²	123.8	87%	0.872	63%	0.626	S	S	*	*			trans	-127.4	-5.7	171.6	-67	-173.7	-171.7	170.6	2.9	114.1
3	V	54.3	Low	57.5	Low	129 Å²	129	126.7 Å²	126.7	78%	0.782	63%	0.626	S	S	*	*	S	Bend	trans	-88.8	-26.3	-177.7	-174.5	0	0	0	0	112.3
4	I	54.1	Low	57.9	Low	118 Å²	118	126 Å²	126	61%	0.605	62%	0.621	S	S	*	*	H	α-helix	trans	-76.1	-32.6	-174.6	-57.4	174.6	0	0	0	112.3	A6 H7 I8	I4-A6 PolarHBondContact O-N 3.16Å; I4-H7 PolarHBondContact O-N 3.32Å; I4-I8 HydrophobicContact CG2-CD1 4.02Å; I4-I8 PolarHBondContact O-N 3.4Å
5	Q	53.6	Low	58.9	Low	131 Å²	131	127.5 Å²	127.5	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-66.2	-34.5	-177.9	-74.1	177.1	-36.1	0	0	112.8	H7 I8 H9	Q5-H7 VanDerWaalsContact C-N 3.29Å; Q5-H7 PolarHBondContact O-N 2.83Å; Q5-I8 PolarHBondContact O-N 2.98Å; Q5-H9 PolarHBondContact O-CD2 3.09Å; Q5-H9 PolarHBondContact O-N 3.44Å; Q5-H9 VanDerWaalsContact O-N 3.16Å
6	A	55.7	Low	59.6	Low	64 Å²	64	128.9 Å²	128.9	53%	0.529	62%	0.624	S	S	.	*	H	α-helix	trans	-65	-33.5	177	0	0	0	0	0	112.5	I4 T10	I4-A6 PolarHBondContact O-N 3.16Å; A6-T10 PolarHBondContact O-N 3.45Å; A6-T10 VanDerWaalsContact O-N 3.14Å; A6-T10 PolarHBondContact O-OG1 3.43Å
7	H	53.4	Low	60.5	Low	132 Å²	132	129.1 Å²	129.1	61%	0.611	62%	0.621	S	S	*	*	H	α-helix	trans	-73.9	-39.1	179.1	-121.8	-21.9	0	0	0	112.7	I4 Q5 H9 T10 E11	I4-H7 PolarHBondContact O-N 3.32Å; Q5-H7 VanDerWaalsContact C-N 3.29Å; Q5-H7 PolarHBondContact O-N 2.83Å; H7-H9 VanDerWaalsContact C-N 3.34Å; H7-H9 PolarHBondContact O-N 2.92Å; H7-T10 VanDerWaalsContact CA-OG1 3.31Å; H7-T10 WeakPolarHBondContact CA-OG1 3.5Å; H7-T10 PolarHBondContact ND1-OG1 3.24Å; H7-T10 PolarHBondContact O-N 3.11Å; H7-T10 PolarHBondContact O-OG1 3.39Å; H7-E11 PolarHBondContact O-N 3.38Å
8	I	58	Low	61.5	Low	104 Å²	104	127.4 Å²	127.4	53%	0.533	62%	0.616	S	S	.	*	H	α-helix	trans	-64.9	-39.8	176.3	-62.2	169.7	0	0	0	110.9	I4 Q5 S12	I4-I8 HydrophobicContact CG2-CD1 4.02Å; I4-I8 PolarHBondContact O-N 3.4Å; Q5-I8 PolarHBondContact O-N 2.98Å; I8-S12 WeakPolarHBondContact O-CB 3.45Å; I8-S12 PolarHBondContact O-N 3.14Å; I8-S12 VanDerWaalsContact O-N 3.09Å
9	H	59.1	Low	62.3	Low	132 Å²	132	131.1 Å²	131.1	61%	0.611	62%	0.623	S	S	*	*	H	α-helix	trans	-65.1	-40.6	175.7	-78.5	-64.1	0	0	0	112.4	Q5 H7 S12 Y13	Q5-H9 PolarHBondContact O-CD2 3.09Å; Q5-H9 PolarHBondContact O-N 3.44Å; Q5-H9 VanDerWaalsContact O-N 3.16Å; H7-H9 VanDerWaalsContact C-N 3.34Å; H7-H9 PolarHBondContact O-N 2.92Å; H9-S12 PolarHBondContact O-N 3.28Å; H9-S12 PolarHBondContact O-OG 3.46Å; H9-Y13 WeakPolarHBondContact O-CB 3.35Å; H9-Y13 PolarHBondContact O-N 3.09Å
10	T	62.5	Low	63.2	Low	67 Å²	67	128 Å²	128	41%	0.411	62%	0.616	S	S	.	*	H	α-helix	trans	-67.1	-40.8	177.8	42.5	0	0	0	0	112.7	A6 H7 Y13 Q14	A6-T10 PolarHBondContact O-N 3.45Å; A6-T10 VanDerWaalsContact O-N 3.14Å; A6-T10 PolarHBondContact O-OG1 3.43Å; H7-T10 VanDerWaalsContact CA-OG1 3.31Å; H7-T10 WeakPolarHBondContact CA-OG1 3.5Å; H7-T10 PolarHBondContact ND1-OG1 3.24Å; H7-T10 PolarHBondContact O-N 3.11Å; H7-T10 PolarHBondContact O-OG1 3.39Å; T10-Y13 PolarHBondContact O-N 3.47Å; T10-Q14 WeakPolarHBondContact O-CB 3.38Å; T10-Q14 VanDerWaalsContact O-CG 3.29Å; T10-Q14 WeakPolarHBondContact O-CG 3.48Å; T10-Q14 PolarHBondContact O-N 2.85Å
11	E	63.7	Low	64	Low	102 Å²	102	126.2 Å²	126.2	48%	0.477	61%	0.607	S	S	.	*	H	α-helix	trans	-63.3	-43	174.5	-73.6	-176	-175.9	0	0	112.4	H7 Y13 Q14 K15	H7-E11 PolarHBondContact O-N 3.38Å; E11-Y13 VanDerWaalsContact C-N 3.31Å; E11-Y13 PolarHBondContact O-N 3.44Å; E11-Q14 PolarHBondContact O-N 3.02Å; E11-K15 WeakPolarHBondContact O-CB 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.46Å; E11-K15 PolarHBondContact O-N 2.85Å
12	S	66.8	Low	65.4	Low	53 Å²	53	122 Å²	122	37%	0.371	58%	0.584	S	S	.	*	H	α-helix	trans	-63.4	-39	177.2	78	0	0	0	0	111.8	I8 H9 K16	I8-S12 WeakPolarHBondContact O-CB 3.45Å; I8-S12 PolarHBondContact O-N 3.14Å; I8-S12 VanDerWaalsContact O-N 3.09Å; H9-S12 PolarHBondContact O-N 3.28Å; H9-S12 PolarHBondContact O-OG 3.46Å; S12-K16 WeakPolarHBondContact O-CG 3.38Å; S12-K16 PolarHBondContact O-N 2.99Å; S12-K16 VanDerWaalsContact O-N 3.09Å
13	Y	65	Low	67	Low	162 Å²	162	116 Å²	116	64%	0.635	57%	0.569	S	S	*	*	H	α-helix	trans	-69.1	-43	177.2	-175.3	-99.5	0	0	0	111.5	H9 T10 E11 K16 K17	H9-Y13 WeakPolarHBondContact O-CB 3.35Å; H9-Y13 PolarHBondContact O-N 3.09Å; T10-Y13 PolarHBondContact O-N 3.47Å; E11-Y13 VanDerWaalsContact C-N 3.31Å; E11-Y13 PolarHBondContact O-N 3.44Å; Y13-K16 PolarHBondContact O-N 2.97Å; Y13-K17 WeakPolarHBondContact O-CB 3.29Å; Y13-K17 PolarHBondContact O-N 3.29Å
14	Q	63.9	Low	68.6	Low	117 Å²	117	113.8 Å²	113.8	55%	0.547	55%	0.552	S	S	.	*	H	α-helix	trans	-63.2	-41.9	175.5	-75.5	178.9	-6.4	0	0	112	T10 E11 K16 K17 N18	T10-Q14 WeakPolarHBondContact O-CB 3.38Å; T10-Q14 VanDerWaalsContact O-CG 3.29Å; T10-Q14 WeakPolarHBondContact O-CG 3.48Å; T10-Q14 PolarHBondContact O-N 2.85Å; E11-Q14 PolarHBondContact O-N 3.02Å; Q14-K16 PolarHBondContact O-N 3.47Å; Q14-K17 PolarHBondContact O-N 2.89Å; Q14-N18 WeakPolarHBondContact O-CB 3.4Å; Q14-N18 PolarHBondContact O-N 3.45Å
15	K	72.6	Confident	70.1	Confident	148 Å²	148	112.3 Å²	112.3	64%	0.643	55%	0.545	S	S	*	.	H	α-helix	trans	-60.6	-43.3	174	-75.8	177	-178.5	173.5	0	111.9	E11 N18 R19	E11-K15 WeakPolarHBondContact O-CB 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.46Å; E11-K15 PolarHBondContact O-N 2.85Å; K15-N18 PolarHBondContact O-N 2.85Å; K15-R19 WeakPolarHBondContact O-CB 3.46Å; K15-R19 PolarHBondContact O-N 3.32Å
16	K	71	Confident	71.4	Confident	151 Å²	151	112.5 Å²	112.5	66%	0.657	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-45.1	174.8	-75.3	-177.8	-179.5	-177.9	0	111.8	S12 Y13 Q14 N18 R19 S20	S12-K16 WeakPolarHBondContact O-CG 3.38Å; S12-K16 PolarHBondContact O-N 2.99Å; S12-K16 VanDerWaalsContact O-N 3.09Å; Y13-K16 PolarHBondContact O-N 2.97Å; Q14-K16 PolarHBondContact O-N 3.47Å; K16-N18 VanDerWaalsContact C-N 3.34Å; K16-N18 PolarHBondContact O-N 3.23Å; K16-R19 PolarHBondContact O-N 3.45Å; K16-S20 PolarHBondContact O-N 3.29Å; K16-S20 PolarHBondContact O-OG 3.35Å
17	K	74.4	Confident	72.8	Confident	131 Å²	131	113.7 Å²	113.7	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-59.4	-44.4	176.6	-173.3	179.5	178.5	-177.1	0	111.5	Y13 Q14 S20 Q21	Y13-K17 WeakPolarHBondContact O-CB 3.29Å; Y13-K17 PolarHBondContact O-N 3.29Å; Q14-K17 PolarHBondContact O-N 2.89Å; K17-S20 PolarHBondContact O-N 3.18Å; K17-Q21 WeakPolarHBondContact O-CB 3.43Å; K17-Q21 PolarHBondContact O-N 3Å
18	N	77.4	Confident	74.3	Confident	99 Å²	99	111.6 Å²	111.6	53%	0.529	53%	0.531	S	S	.	.	H	α-helix	trans	-64.5	-41.2	176.8	-73.2	-7	0	0	0	111.7	Q14 K15 K16 Q21 Q22	Q14-N18 WeakPolarHBondContact O-CB 3.4Å; Q14-N18 PolarHBondContact O-N 3.45Å; K15-N18 PolarHBondContact O-N 2.85Å; K16-N18 VanDerWaalsContact C-N 3.34Å; K16-N18 PolarHBondContact O-N 3.23Å; N18-Q21 PolarHBondContact O-N 3.31Å; N18-Q22 WeakPolarHBondContact O-CB 3.49Å; N18-Q22 VanDerWaalsContact O-CG 3.24Å; N18-Q22 WeakPolarHBondContact O-CG 3.5Å; N18-Q22 PolarHBondContact O-N 2.88Å
19	R	77.8	Confident	75.4	Confident	197 Å²	197	111.4 Å²	111.4	74%	0.743	53%	0.53	S	S	*	.	H	α-helix	trans	-63.5	-42.7	175.5	-172.2	177.5	178.5	179.8	-0.5	111.9	K15 K16 Q22 L23	K15-R19 WeakPolarHBondContact O-CB 3.46Å; K15-R19 PolarHBondContact O-N 3.32Å; K16-R19 PolarHBondContact O-N 3.45Å; R19-Q22 PolarHBondContact O-N 2.86Å; R19-L23 PolarHBondContact O-N 2.85Å
20	S	81	Confident	76.4	Confident	70 Å²	70	107.2 Å²	107.2	49%	0.49	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-41.6	175.3	-60.9	0	0	0	0	111.8	K16 K17 L23 I24	K16-S20 PolarHBondContact O-N 3.29Å; K16-S20 PolarHBondContact O-OG 3.35Å; K17-S20 PolarHBondContact O-N 3.18Å; S20-L23 WeakPolarHBondContact O-CB 3.33Å; S20-L23 PolarHBondContact O-N 2.86Å; S20-I24 VanDerWaalsContact O-CG1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.31Å; S20-I24 PolarHBondContact O-N 2.93Å
21	Q	78.7	Confident	77.2	Confident	90 Å²	90	107.6 Å²	107.6	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-40.3	176.4	-170.5	64.1	46.9	0	0	111.8	K17 N18 L23 I24 N25	K17-Q21 WeakPolarHBondContact O-CB 3.43Å; K17-Q21 PolarHBondContact O-N 3Å; N18-Q21 PolarHBondContact O-N 3.31Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; Q21-I24 PolarHBondContact O-N 2.94Å; Q21-N25 PolarHBondContact NE2-OD1 3.46Å; Q21-N25 WeakPolarHBondContact O-CB 3.24Å; Q21-N25 PolarHBondContact O-N 3.27Å; Q21-N25 PolarHBondContact O-OD1 3.41Å
22	Q	81.4	Confident	77.9	Confident	134 Å²	134	105 Å²	105	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-61.7	-41.8	174	-77.2	173.4	-15.5	0	0	111.6	N18 R19 N25 Y26	N18-Q22 WeakPolarHBondContact O-CB 3.49Å; N18-Q22 VanDerWaalsContact O-CG 3.24Å; N18-Q22 WeakPolarHBondContact O-CG 3.5Å; N18-Q22 PolarHBondContact O-N 2.88Å; R19-Q22 PolarHBondContact O-N 2.86Å; Q22-N25 PolarHBondContact O-N 2.84Å; Q22-Y26 WeakPolarHBondContact O-CB 3.31Å; Q22-Y26 PolarHBondContact O-N 3.3Å
23	L	83.7	Confident	78.4	Confident	104 Å²	104	103.2 Å²	103.2	55%	0.545	49%	0.489	S	S	.	.	H	α-helix	trans	-63.3	-43.7	175.2	-176.8	66.1	0	0	0	111.7	R19 S20 Q21 Y26 I27	R19-L23 PolarHBondContact O-N 2.85Å; S20-L23 WeakPolarHBondContact O-CB 3.33Å; S20-L23 PolarHBondContact O-N 2.86Å; Q21-L23 VanDerWaalsContact C-N 3.33Å; L23-Y26 WeakPolarHBondContact O-CB 3.38Å; L23-Y26 PolarHBondContact O-N 3.32Å; L23-I27 HydrophobicContact CD1-CD1 4.43Å; L23-I27 HydrophobicContact CG-CD1 4.11Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.41Å; L23-I27 PolarHBondContact O-N 3.34Å
24	I	86.6	Confident	78.8	Confident	84 Å²	84	97.8 Å²	97.8	43%	0.431	47%	0.472	S	S	.	.	H	α-helix	trans	-61.5	-47.9	175.9	-69.2	165.1	0	0	0	110.3	S20 Q21 Y26 I27 I28	S20-I24 VanDerWaalsContact O-CG1 3.31Å; S20-I24 WeakPolarHBondContact O-CG1 3.31Å; S20-I24 PolarHBondContact O-N 2.93Å; Q21-I24 PolarHBondContact O-N 2.94Å; I24-Y26 VanDerWaalsContact C-N 3.28Å; I24-Y26 PolarHBondContact O-N 3.26Å; I24-I27 PolarHBondContact O-N 2.96Å; I24-I28 HydrophobicContact CG2-CD1 3.66Å; I24-I28 HydrophobicContact CG2-CG1 4.34Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.47Å; I24-I28 PolarHBondContact O-N 2.97Å
25	N	85.2	Confident	79.2	Confident	86 Å²	86	97.2 Å²	97.2	46%	0.46	47%	0.469	S	S	.	.	H	α-helix	trans	-61.6	-37.8	178.3	-69.7	-0.6	0	0	0	111.7	Q21 Q22 I28 L29	Q21-N25 PolarHBondContact NE2-OD1 3.46Å; Q21-N25 WeakPolarHBondContact O-CB 3.24Å; Q21-N25 PolarHBondContact O-N 3.27Å; Q21-N25 PolarHBondContact O-OD1 3.41Å; Q22-N25 PolarHBondContact O-N 2.84Å; N25-I28 PolarHBondContact O-N 2.55Å; N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 2.7Å
26	Y	82.3	Confident	79.1	Confident	135 Å²	135	92.9 Å²	92.9	53%	0.529	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-47.2	174.5	177.6	-95.3	0	0	0	111.6	Q22 L23 I24 I28 L29 E30	Q22-Y26 WeakPolarHBondContact O-CB 3.31Å; Q22-Y26 PolarHBondContact O-N 3.3Å; L23-Y26 WeakPolarHBondContact O-CB 3.38Å; L23-Y26 PolarHBondContact O-N 3.32Å; I24-Y26 VanDerWaalsContact C-N 3.28Å; I24-Y26 PolarHBondContact O-N 3.26Å; Y26-I28 VanDerWaalsContact C-N 3.35Å; Y26-I28 PolarHBondContact O-N 3.46Å; Y26-L29 PolarHBondContact O-N 2.92Å; Y26-E30 HydrophobicContact CD1-CG 4.13Å; Y26-E30 HydrophobicContact CE1-CG 3.72Å; Y26-E30 HydrophobicContact CE2-CG 4.36Å; Y26-E30 WeakPolarHBondContact O-CB 3.1Å; Y26-E30 VanDerWaalsContact O-CG 3.29Å; Y26-E30 WeakPolarHBondContact O-CG 3.45Å; Y26-E30 PolarHBondContact O-N 3.36Å; Y26-E30 PolarHBondContact OH-OE1 3.49Å
27	I	85	Confident	78.9	Confident	90 Å²	90	85.9 Å²	85.9	46%	0.462	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-42.6	177.4	-67.5	166	0	0	0	110.9	L23 I24 L29 E30 V31	L23-I27 HydrophobicContact CD1-CD1 4.43Å; L23-I27 HydrophobicContact CG-CD1 4.11Å; L23-I27 VanDerWaalsContact O-CG1 3.31Å; L23-I27 WeakPolarHBondContact O-CG1 3.41Å; L23-I27 PolarHBondContact O-N 3.34Å; I24-I27 PolarHBondContact O-N 2.96Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.49Å; I27-E30 WeakPolarHBondContact O-CB 3.4Å; I27-E30 PolarHBondContact O-N 3.37Å; I27-V31 WeakPolarHBondContact O-CG2 3.29Å; I27-V31 PolarHBondContact O-N 3.48Å
28	I	84.8	Confident	78.4	Confident	88 Å²	88	85.8 Å²	85.8	45%	0.451	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-45.2	176.7	-69.2	167.8	0	0	0	110.5	I24 N25 Y26 E30 V31 L32	I24-I28 HydrophobicContact CG2-CD1 3.66Å; I24-I28 HydrophobicContact CG2-CG1 4.34Å; I24-I28 VanDerWaalsContact O-CG1 3.29Å; I24-I28 WeakPolarHBondContact O-CG1 3.47Å; I24-I28 PolarHBondContact O-N 2.97Å; N25-I28 PolarHBondContact O-N 2.55Å; Y26-I28 VanDerWaalsContact C-N 3.35Å; Y26-I28 PolarHBondContact O-N 3.46Å; I28-E30 VanDerWaalsContact C-N 3.35Å; I28-E30 PolarHBondContact O-N 3.31Å; I28-V31 PolarHBondContact O-N 2.88Å; I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.41Å; I28-L32 WeakPolarHBondContact O-CB 3.19Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.45Å; I28-L32 PolarHBondContact O-N 3.2Å
29	L	81.8	Confident	77.8	Confident	99 Å²	99	86.2 Å²	86.2	52%	0.518	43%	0.429	S	S	.	.	H	α-helix	trans	-62.5	-43	177.8	-174.4	68.9	0	0	0	111.6	N25 Y26 I27 L32 V33	N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 2.7Å; Y26-L29 PolarHBondContact O-N 2.92Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.49Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-V33 HydrophobicContact CG-CG2 4.44Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 VanDerWaalsContact O-CG2 3.23Å; L29-V33 WeakPolarHBondContact O-CG2 3.23Å; L29-V33 PolarHBondContact O-N 3.25Å
30	E	78.3	Confident	77	Confident	44 Å²	44	81.4 Å²	81.4	21%	0.206	41%	0.413	C	S	.	.	H	α-helix	trans	-57.9	-48.2	175.8	-77.4	-75.1	137.6	0	0	112	Y26 I27 I28 V33 V34 K54	Y26-E30 HydrophobicContact CD1-CG 4.13Å; Y26-E30 HydrophobicContact CE1-CG 3.72Å; Y26-E30 HydrophobicContact CE2-CG 4.36Å; Y26-E30 WeakPolarHBondContact O-CB 3.1Å; Y26-E30 VanDerWaalsContact O-CG 3.29Å; Y26-E30 WeakPolarHBondContact O-CG 3.45Å; Y26-E30 PolarHBondContact O-N 3.36Å; Y26-E30 PolarHBondContact OH-OE1 3.49Å; I27-E30 WeakPolarHBondContact O-CB 3.4Å; I27-E30 PolarHBondContact O-N 3.37Å; I28-E30 VanDerWaalsContact C-N 3.35Å; I28-E30 PolarHBondContact O-N 3.31Å; E30-V33 PolarHBondContact O-N 3.49Å; E30-V34 WeakPolarHBondContact O-CG2 3.44Å; E30-V34 PolarHBondContact O-N 3.43Å; E30-K54 WeakPolarHBondContact OE1-CE 3.35Å; E30-K54 IonicContact OE1-NZ 2.7Å; E30-K54 PolarHBondContact OE1-NZ 3.48Å; E30-K54 WeakPolarHBondContact OE2-CE 3.29Å; E30-K54 IonicContact OE2-NZ 2.55Å; E30-K54 PolarHBondContact OE2-NZ 3.29Å
31	V	79.3	Confident	75.8	Confident	75 Å²	75	79.9 Å²	79.9	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-46.4	177.2	173.4	0	0	0	0	111	I27 I28 V33 V34 E35	I27-V31 WeakPolarHBondContact O-CG2 3.29Å; I27-V31 PolarHBondContact O-N 3.48Å; I28-V31 PolarHBondContact O-N 2.88Å; V31-V33 VanDerWaalsContact C-N 3.34Å; V31-V33 PolarHBondContact O-N 3.48Å; V31-V34 WeakPolarHBondContact O-CB 3.47Å; V31-V34 PolarHBondContact O-N 3.3Å; V31-E35 HydrophobicContact CG1-CG 4.47Å; V31-E35 WeakPolarHBondContact O-CG 3.43Å; V31-E35 PolarHBondContact O-N 3.03Å
32	L	79.2	Confident	74.5	Confident	48 Å²	48	80.3 Å²	80.3	25%	0.251	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-40.5	178.5	-73.7	169.5	0	0	0	112.4	I28 L29 V34 E35 I36 L67	I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.41Å; I28-L32 WeakPolarHBondContact O-CB 3.19Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.45Å; I28-L32 PolarHBondContact O-N 3.2Å; L29-L32 PolarHBondContact O-N 3.01Å; L32-V34 VanDerWaalsContact C-N 3.34Å; L32-E35 PolarHBondContact O-N 3.02Å; L32-I36 WeakPolarHBondContact O-CB 3.3Å; L32-I36 WeakPolarHBondContact O-CD1 3.43Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 3.39Å; L32-L67 HydrophobicContact CD1-CD2 4.25Å; L32-L67 HydrophobicContact CD2-CD2 4.45Å
33	V	77.8	Confident	73.2	Confident	16 Å²	16	80 Å²	80	10%	0.097	41%	0.409	C	S	.	.	H	α-helix	trans	-65.1	-42.2	177.4	171.1	0	0	0	0	110.4	L29 E30 V31 I36 I37 K54 I58	L29-V33 HydrophobicContact CG-CG2 4.44Å; L29-V33 WeakPolarHBondContact O-CB 3.4Å; L29-V33 VanDerWaalsContact O-CG2 3.23Å; L29-V33 WeakPolarHBondContact O-CG2 3.23Å; L29-V33 PolarHBondContact O-N 3.25Å; E30-V33 PolarHBondContact O-N 3.49Å; V31-V33 VanDerWaalsContact C-N 3.34Å; V31-V33 PolarHBondContact O-N 3.48Å; V33-I36 PolarHBondContact O-N 3.17Å; V33-I37 HydrophobicContact CG1-CD1 3.77Å; V33-I37 HydrophobicContact CG1-CG1 4.47Å; V33-I37 WeakPolarHBondContact O-CD1 3.25Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.22Å; V33-K54 HydrophobicContact CG1-CG 3.85Å; V33-I58 HydrophobicContact CG1-CG1 4.47Å; V33-I58 HydrophobicContact CG2-CG1 4.3Å
34	V	72.5	Confident	71.4	Confident	47 Å²	47	83.1 Å²	83.1	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-58.5	-53.3	173.9	172.5	0	0	0	0	109.8	E30 V31 L32 I36 I37 Y38 F50	E30-V34 WeakPolarHBondContact O-CG2 3.44Å; E30-V34 PolarHBondContact O-N 3.43Å; V31-V34 WeakPolarHBondContact O-CB 3.47Å; V31-V34 PolarHBondContact O-N 3.3Å; L32-V34 VanDerWaalsContact C-N 3.34Å; V34-I36 VanDerWaalsContact C-N 3.31Å; V34-I36 PolarHBondContact O-N 3.37Å; V34-I37 PolarHBondContact O-N 3.02Å; V34-I37 VanDerWaalsContact O-N 3.1Å; V34-Y38 HydrophobicContact CG1-CD2 3.59Å; V34-Y38 HydrophobicContact CG1-CE2 3.62Å; V34-Y38 VanDerWaalsContact O-CD2 3.28Å; V34-Y38 WeakPolarHBondContact O-CD2 3.17Å; V34-Y38 PolarHBondContact O-N 2.96Å; V34-F50 HydrophobicContact CB-CZ 4.07Å; V34-F50 HydrophobicContact CG1-CZ 3.92Å; V34-F50 HydrophobicContact CG2-CE1 4.17Å; V34-F50 HydrophobicContact CG2-CZ 3.77Å
35	E	72	Confident	69.4	Low	105 Å²	105	86.3 Å²	86.3	49%	0.491	44%	0.438	S	S	.	.	H	α-helix	trans	-56.2	-42.6	178.9	-73.4	-178.5	161.7	0	0	112.8	V31 L32 I37 Y38 C39	V31-E35 HydrophobicContact CG1-CG 4.47Å; V31-E35 WeakPolarHBondContact O-CG 3.43Å; V31-E35 PolarHBondContact O-N 3.03Å; L32-E35 PolarHBondContact O-N 3.02Å; E35-I37 PolarHBondContact O-N 3.41Å; E35-Y38 PolarHBondContact O-N 3.05Å; E35-C39 WeakPolarHBondContact O-CB 3.45Å; E35-C39 PolarHBondContact O-N 3.5Å; E35-C39 PolarHBondContact O-SG 2.99Å; E35-C39 VanDerWaalsContact O-SG 3.41Å
36	I	70.6	Confident	67.5	Low	58 Å²	58	87.3 Å²	87.3	30%	0.297	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-42.4	177.9	-70.2	164.8	0	0	0	111.4	L32 V33 V34 C39 K40	L32-I36 WeakPolarHBondContact O-CB 3.3Å; L32-I36 WeakPolarHBondContact O-CD1 3.43Å; L32-I36 WeakPolarHBondContact O-CG1 3.47Å; L32-I36 PolarHBondContact O-N 3.39Å; V33-I36 PolarHBondContact O-N 3.17Å; V34-I36 VanDerWaalsContact C-N 3.31Å; V34-I36 PolarHBondContact O-N 3.37Å; I36-C39 PolarHBondContact O-N 2.89Å; I36-K40 HydrophobicContact CG2-CD 4.2Å; I36-K40 WeakPolarHBondContact O-CB 3.44Å; I36-K40 WeakPolarHBondContact O-CG 3.22Å; I36-K40 PolarHBondContact O-N 2.89Å
37	I	67.5	Low	65.9	Low	4 Å²	4	86.7 Å²	86.7	2%	0.021	46%	0.458	C	S	.	.	H	α-helix	trans	-65	-46.5	177.8	-65.9	164.2	0	0	0	109.4	V33 V34 E35 C39 K40 V41 F50 K54 Y57	V33-I37 HydrophobicContact CG1-CD1 3.77Å; V33-I37 HydrophobicContact CG1-CG1 4.47Å; V33-I37 WeakPolarHBondContact O-CD1 3.25Å; V33-I37 WeakPolarHBondContact O-CG1 3.43Å; V33-I37 PolarHBondContact O-N 3.22Å; V34-I37 PolarHBondContact O-N 3.02Å; V34-I37 VanDerWaalsContact O-N 3.1Å; E35-I37 PolarHBondContact O-N 3.41Å; I37-C39 VanDerWaalsContact C-N 3.32Å; I37-C39 PolarHBondContact O-N 3.37Å; I37-K40 PolarHBondContact O-N 2.89Å; I37-V41 HydrophobicContact CG2-CG2 3.86Å; I37-V41 VanDerWaalsContact O-CB 3.27Å; I37-V41 WeakPolarHBondContact O-CB 3.35Å; I37-V41 VanDerWaalsContact O-CG2 3.23Å; I37-V41 WeakPolarHBondContact O-CG2 3.41Å; I37-V41 PolarHBondContact O-N 3.36Å; I37-F50 HydrophobicContact CB-CD2 4.47Å; I37-F50 HydrophobicContact CB-CE2 3.83Å; I37-F50 HydrophobicContact CB-CZ 4.49Å; I37-F50 HydrophobicContact CD1-CE2 4.07Å; I37-F50 HydrophobicContact CD1-CZ 4.09Å; I37-F50 HydrophobicContact CG2-CD2 3.63Å; I37-F50 HydrophobicContact CG2-CE2 3.46Å; I37-F50 VanDerWaalsContact CG2-CE2 3.46Å; I37-F50 HydrophobicContact CG2-CZ 4.47Å; I37-K54 HydrophobicContact CD1-CB 3.93Å; I37-Y57 HydrophobicContact CG1-CD2 3.93Å; I37-Y57 HydrophobicContact CG1-CE2 4.29Å
38	Y	64.5	Low	64.2	Low	129 Å²	129	89.4 Å²	89.4	51%	0.506	47%	0.472	S	S	.	.	H	α-helix	trans	-60.9	-38.3	177.6	-88.8	-98.3	0	0	0	112.6	V34 E35 F43 F50	V34-Y38 HydrophobicContact CG1-CD2 3.59Å; V34-Y38 HydrophobicContact CG1-CE2 3.62Å; V34-Y38 VanDerWaalsContact O-CD2 3.28Å; V34-Y38 WeakPolarHBondContact O-CD2 3.17Å; V34-Y38 PolarHBondContact O-N 2.96Å; E35-Y38 PolarHBondContact O-N 3.05Å; Y38-F43 HydrophobicContact CD1-CE1 4.16Å; Y38-F43 AromaticContact CD1-CE2 3.33Å; Y38-F43 HydrophobicContact CD1-CE2 3.33Å; Y38-F43 AromaticContact CD1-CZ 3.05Å; Y38-F43 HydrophobicContact CD1-CZ 3.05Å; Y38-F43 HydrophobicContact CD2-CZ 4.32Å; Y38-F43 AromaticContact CE1-CE1 3.85Å; Y38-F43 HydrophobicContact CE1-CE1 3.85Å; Y38-F43 AromaticContact CE1-CE2 3.88Å; Y38-F43 HydrophobicContact CE1-CE2 3.88Å; Y38-F43 AromaticContact CE1-CZ 3.17Å; Y38-F43 HydrophobicContact CE1-CZ 3.17Å; Y38-F43 HydrophobicContact CE2-CZ 4.43Å; Y38-F43 AromaticContact CG-CE2 3.95Å; Y38-F43 HydrophobicContact CG-CE2 3.95Å; Y38-F43 AromaticContact CG-CZ 3.67Å; Y38-F43 HydrophobicContact CG-CZ 3.67Å; Y38-F43 AromaticContact CZ-CZ 3.9Å; Y38-F50 AromaticContact CD2-CE2 3.83Å; Y38-F50 HydrophobicContact CD2-CE2 3.83Å; Y38-F50 HydrophobicContact CD2-CZ 4.38Å; Y38-F50 HydrophobicContact CE2-CD2 4.36Å; Y38-F50 AromaticContact CE2-CE2 3.57Å; Y38-F50 HydrophobicContact CE2-CE2 3.57Å; Y38-F50 HydrophobicContact CE2-CZ 4.02Å
39	C	63.3	Low	62.7	Low	108 Å²	108	89.9 Å²	89.9	73%	0.73	47%	0.473	S	S	*	.	H	α-helix	trans	-77	-26.6	179.5	-75.8	0	0	0	0	114.2	E35 I36 I37	E35-C39 WeakPolarHBondContact O-CB 3.45Å; E35-C39 PolarHBondContact O-N 3.5Å; E35-C39 PolarHBondContact O-SG 2.99Å; E35-C39 VanDerWaalsContact O-SG 3.41Å; I36-C39 PolarHBondContact O-N 2.89Å; I37-C39 VanDerWaalsContact C-N 3.32Å; I37-C39 PolarHBondContact O-N 3.37Å
40	K	61.8	Low	61.5	Low	95 Å²	95	88 Å²	88	41%	0.413	46%	0.46	S	S	.	.	H	α-helix	trans	-104.1	-17.7	-174.2	-69.2	-168.8	175.4	-174.6	0	114.6	I36 I37 P42	I36-K40 HydrophobicContact CG2-CD 4.2Å; I36-K40 WeakPolarHBondContact O-CB 3.44Å; I36-K40 WeakPolarHBondContact O-CG 3.22Å; I36-K40 PolarHBondContact O-N 2.89Å; I37-K40 PolarHBondContact O-N 2.89Å; K40-P42 WeakPolarHBondContact O-CD 3.23Å
41	V	55.5	Low	60.5	Low	38 Å²	38	89.7 Å²	89.7	23%	0.23	48%	0.476	C	S	.	.	S	Bend	trans	-97	111.6	178.5	-176.8	0	0	0	0	108	I37 F43 M53	I37-V41 HydrophobicContact CG2-CG2 3.86Å; I37-V41 VanDerWaalsContact O-CB 3.27Å; I37-V41 WeakPolarHBondContact O-CB 3.35Å; I37-V41 VanDerWaalsContact O-CG2 3.23Å; I37-V41 WeakPolarHBondContact O-CG2 3.41Å; I37-V41 PolarHBondContact O-N 3.36Å; V41-F43 PolarHBondContact O-N 3.5Å; V41-M53 HydrophobicContact CG1-SD 4.27Å; V41-M53 HydrophobicContact CG2-CE 4.24Å; V41-M53 HydrophobicContact CG2-SD 3.43Å; V41-M53 WeakPolarHBondContact CG2-SD 3.28Å
42	P	51.7	Low	59.5	Low	100 Å²	100	91.7 Å²	91.7	65%	0.649	48%	0.483	S	S	*	.			trans	-59.9	117.7	168.7	25.1	-30.6	0	0	0	107.3	K40 Q44	K40-P42 WeakPolarHBondContact O-CD 3.23Å; P42-Q44 PolarHBondContact O-N 2.96Å
43	F	54.8	Low	58.4	Low	128 Å²	128	92.2 Å²	92.2	56%	0.561	49%	0.485	S	S	*	.			trans	-65	77.5	175.3	-79.2	-85.5	0	0	0	109.8	Y38 V41	Y38-F43 HydrophobicContact CD1-CE1 4.16Å; Y38-F43 AromaticContact CD1-CE2 3.33Å; Y38-F43 HydrophobicContact CD1-CE2 3.33Å; Y38-F43 AromaticContact CD1-CZ 3.05Å; Y38-F43 HydrophobicContact CD1-CZ 3.05Å; Y38-F43 HydrophobicContact CD2-CZ 4.32Å; Y38-F43 AromaticContact CE1-CE1 3.85Å; Y38-F43 HydrophobicContact CE1-CE1 3.85Å; Y38-F43 AromaticContact CE1-CE2 3.88Å; Y38-F43 HydrophobicContact CE1-CE2 3.88Å; Y38-F43 AromaticContact CE1-CZ 3.17Å; Y38-F43 HydrophobicContact CE1-CZ 3.17Å; Y38-F43 HydrophobicContact CE2-CZ 4.43Å; Y38-F43 AromaticContact CG-CE2 3.95Å; Y38-F43 HydrophobicContact CG-CE2 3.95Å; Y38-F43 AromaticContact CG-CZ 3.67Å; Y38-F43 HydrophobicContact CG-CZ 3.67Å; Y38-F43 AromaticContact CZ-CZ 3.9Å; V41-F43 PolarHBondContact O-N 3.5Å
44	Q	45.3	Very low	57.4	Low	169 Å²	169	93.7 Å²	93.7	79%	0.79	49%	0.49	S	S	*	.			trans	-110.1	88.1	163.9	-70.8	-173.8	-9.1	0	0	106.1	P42	P42-Q44 PolarHBondContact O-N 2.96Å
45	N	43.8	Very low	56.7	Low	150 Å²	150	97.7 Å²	97.7	80%	0.802	51%	0.505	S	S	*	.	S	Bend	trans	52.2	66.4	157.3	-62.4	-17.6	0	0	0	117.8
46	D	44.7	Very low	56	Low	107 Å²	107	99.9 Å²	99.9	57%	0.572	51%	0.511	S	S	*	.			trans	-172.6	93.1	149.7	-91.6	-29.2	0	0	0	112.6	L48 Q49	D46-L48 PolarHBondContact O-N 3.22Å; D46-Q49 HydrophobicContact CB-CG 4.27Å; D46-Q49 PolarHBondContact O-N 2.96Å
47	C	50.7	Low	55.2	Low	123 Å²	123	100.1 Å²	100.1	83%	0.831	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.5	168.3	-67.7	0	0	0	0	113.2
48	L	47.5	Very low	54.6	Low	146 Å²	146	103.7 Å²	103.7	76%	0.764	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.5	-179.4	-78.2	157	0	0	0	114	D46	D46-L48 PolarHBondContact O-N 3.22Å
49	Q	54.3	Low	53.9	Low	99 Å²	99	105.5 Å²	105.5	46%	0.463	54%	0.539	S	S	.	.	S	Bend	trans	-88.6	-10.2	-177.1	-66.9	-170.4	4.1	0	0	114.5	D46 P51 L52 M53	D46-Q49 HydrophobicContact CB-CG 4.27Å; D46-Q49 PolarHBondContact O-N 2.96Å; Q49-P51 VanDerWaalsContact C-CD 3.46Å; Q49-L52 PolarHBondContact O-N 3.35Å; Q49-M53 PolarHBondContact O-N 3.1Å
50	F	55.7	Low	53.1	Low	58 Å²	58	105.4 Å²	105.4	25%	0.254	53%	0.531	S	S	.	.	H	α-helix	trans	-55.2	-43.1	-175.7	-166.5	-95.9	0	0	0	114.5	V34 I37 Y38 L52 K54	V34-F50 HydrophobicContact CB-CZ 4.07Å; V34-F50 HydrophobicContact CG1-CZ 3.92Å; V34-F50 HydrophobicContact CG2-CE1 4.17Å; V34-F50 HydrophobicContact CG2-CZ 3.77Å; I37-F50 HydrophobicContact CB-CD2 4.47Å; I37-F50 HydrophobicContact CB-CE2 3.83Å; I37-F50 HydrophobicContact CB-CZ 4.49Å; I37-F50 HydrophobicContact CD1-CE2 4.07Å; I37-F50 HydrophobicContact CD1-CZ 4.09Å; I37-F50 HydrophobicContact CG2-CD2 3.63Å; I37-F50 HydrophobicContact CG2-CE2 3.46Å; I37-F50 VanDerWaalsContact CG2-CE2 3.46Å; I37-F50 HydrophobicContact CG2-CZ 4.47Å; Y38-F50 AromaticContact CD2-CE2 3.83Å; Y38-F50 HydrophobicContact CD2-CE2 3.83Å; Y38-F50 HydrophobicContact CD2-CZ 4.38Å; Y38-F50 HydrophobicContact CE2-CD2 4.36Å; Y38-F50 AromaticContact CE2-CE2 3.57Å; Y38-F50 HydrophobicContact CE2-CE2 3.57Å; Y38-F50 HydrophobicContact CE2-CZ 4.02Å; F50-L52 PolarHBondContact O-N 3.32Å; F50-K54 WeakPolarHBondContact O-CB 3.27Å; F50-K54 PolarHBondContact O-N 3.4Å
51	P	58.3	Low	52.4	Low	81 Å²	81	104.7 Å²	104.7	53%	0.526	53%	0.528	S	S	.	.	H	α-helix	trans	-68.2	-36.7	-179.2	-18	32	0	0	0	113.3	Q49 K54 Q55	Q49-P51 VanDerWaalsContact C-CD 3.46Å; P51-K54 PolarHBondContact O-N 3.06Å; P51-Q55 PolarHBondContact O-N 2.9Å
52	L	57.5	Low	51.5	Low	116 Å²	116	108.9 Å²	108.9	61%	0.607	56%	0.558	S	S	*	*	H	α-helix	trans	-71.2	-41.2	179.7	-73.3	164.7	0	0	0	111	Q49 F50 K54 Q55 Y56	Q49-L52 PolarHBondContact O-N 3.35Å; F50-L52 PolarHBondContact O-N 3.32Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.38Å; L52-Q55 PolarHBondContact O-N 3.4Å; L52-Y56 PolarHBondContact O-N 2.94Å
53	M	57	Low	50.9	Low	59 Å²	59	112.3 Å²	112.3	29%	0.291	57%	0.571	S	S	.	*	H	α-helix	trans	-64.5	-39.7	174.9	-73.3	-161.9	154.3	0	0	111.7	V41 Q49 Q55 Y56 Y57	V41-M53 HydrophobicContact CG1-SD 4.27Å; V41-M53 HydrophobicContact CG2-CE 4.24Å; V41-M53 HydrophobicContact CG2-SD 3.43Å; V41-M53 WeakPolarHBondContact CG2-SD 3.28Å; Q49-M53 PolarHBondContact O-N 3.1Å; M53-Q55 VanDerWaalsContact C-N 3.34Å; M53-Q55 PolarHBondContact O-N 2.93Å; M53-Y56 PolarHBondContact O-N 3.44Å; M53-Y57 VanDerWaalsContact O-CD2 3.25Å; M53-Y57 WeakPolarHBondContact O-CD2 3.47Å; M53-Y57 PolarHBondContact O-N 2.72Å
54	K	55.9	Low	50.2	Low	47 Å²	47	109.2 Å²	109.2	20%	0.204	57%	0.565	C	S	.	*	H	α-helix	trans	-57	-45.9	173.5	-176.2	179.3	173.7	-166.4	0	112.2	E30 V33 I37 F50 P51 L52 I58	E30-K54 WeakPolarHBondContact OE1-CE 3.35Å; E30-K54 IonicContact OE1-NZ 2.7Å; E30-K54 PolarHBondContact OE1-NZ 3.48Å; E30-K54 WeakPolarHBondContact OE2-CE 3.29Å; E30-K54 IonicContact OE2-NZ 2.55Å; E30-K54 PolarHBondContact OE2-NZ 3.29Å; V33-K54 HydrophobicContact CG1-CG 3.85Å; I37-K54 HydrophobicContact CD1-CB 3.93Å; F50-K54 WeakPolarHBondContact O-CB 3.27Å; F50-K54 PolarHBondContact O-N 3.4Å; P51-K54 PolarHBondContact O-N 3.06Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.38Å; K54-I58 HydrophobicContact CG-CD1 3.75Å; K54-I58 WeakPolarHBondContact O-CB 3.37Å; K54-I58 WeakPolarHBondContact O-CD1 3.44Å; K54-I58 WeakPolarHBondContact O-CG1 3.17Å; K54-I58 PolarHBondContact O-N 3.03Å
55	Q	58	Low	49.8	Very low	131 Å²	131	108.4 Å²	108.4	61%	0.612	56%	0.559	S	S	*	*	H	α-helix	trans	-64.1	-42.8	175.9	-73.2	-178.5	-18.3	0	0	112.3	P51 L52 M53 I58 H59	P51-Q55 PolarHBondContact O-N 2.9Å; L52-Q55 PolarHBondContact O-N 3.4Å; M53-Q55 VanDerWaalsContact C-N 3.34Å; M53-Q55 PolarHBondContact O-N 2.93Å; Q55-I58 PolarHBondContact O-N 3.41Å; Q55-H59 WeakPolarHBondContact O-CB 3.42Å; Q55-H59 PolarHBondContact O-N 2.88Å
56	Y	57.2	Low	49.5	Very low	152 Å²	152	104.6 Å²	104.6	60%	0.596	54%	0.543	S	S	*	.	H	α-helix	trans	-62	-45	178	-172.3	-97.6	0	0	0	112.2	L52 M53 H59 N60	L52-Y56 PolarHBondContact O-N 2.94Å; M53-Y56 PolarHBondContact O-N 3.44Å; Y56-H59 PolarHBondContact O-N 3.3Å; Y56-N60 WeakPolarHBondContact CE2-ND2 3.49Å; Y56-N60 VanDerWaalsContact CZ-ND2 3.33Å; Y56-N60 WeakPolarHBondContact O-CB 3.46Å; Y56-N60 PolarHBondContact O-N 2.99Å; Y56-N60 PolarHBondContact OH-ND2 2.71Å
57	Y	54.4	Low	49.1	Very low	63 Å²	63	105.2 Å²	105.2	25%	0.247	55%	0.546	C	S	.	.	H	α-helix	trans	-68.2	-35.8	178.5	-84.1	-72.2	0	0	0	113.2	I37 M53 K61	I37-Y57 HydrophobicContact CG1-CD2 3.93Å; I37-Y57 HydrophobicContact CG1-CE2 4.29Å; M53-Y57 VanDerWaalsContact O-CD2 3.25Å; M53-Y57 WeakPolarHBondContact O-CD2 3.47Å; M53-Y57 PolarHBondContact O-N 2.72Å; Y57-K61 HydrophobicContact CD1-CD 4.33Å; Y57-K61 WeakPolarHBondContact O-CB 3.2Å
58	I	54.3	Low	48.5	Very low	79 Å²	79	106.2 Å²	106.2	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-70.8	-40.7	177.3	-67	168.3	0	0	0	110.9	V33 K54 Q55	V33-I58 HydrophobicContact CG1-CG1 4.47Å; V33-I58 HydrophobicContact CG2-CG1 4.3Å; K54-I58 HydrophobicContact CG-CD1 3.75Å; K54-I58 WeakPolarHBondContact O-CB 3.37Å; K54-I58 WeakPolarHBondContact O-CD1 3.44Å; K54-I58 WeakPolarHBondContact O-CG1 3.17Å; K54-I58 PolarHBondContact O-N 3.03Å; Q55-I58 PolarHBondContact O-N 3.41Å
59	H	50.3	Low	48	Very low	167 Å²	167	103.2 Å²	103.2	77%	0.773	53%	0.53	S	S	*	.	H	α-helix	trans	-82.2	-33.3	-176.7	-107.9	-87.9	0	0	0	114.6	Q55 Y56	Q55-H59 WeakPolarHBondContact O-CB 3.42Å; Q55-H59 PolarHBondContact O-N 2.88Å; Y56-H59 PolarHBondContact O-N 3.3Å
60	N	47.5	Very low	47.3	Very low	106 Å²	106	104.1 Å²	104.1	57%	0.567	54%	0.538	S	S	*	.	H	α-helix	trans	-98	3.7	-172.7	-94.1	-3.9	0	0	0	115.4	Y56	Y56-N60 WeakPolarHBondContact CE2-ND2 3.49Å; Y56-N60 VanDerWaalsContact CZ-ND2 3.33Å; Y56-N60 WeakPolarHBondContact O-CB 3.46Å; Y56-N60 PolarHBondContact O-N 2.99Å; Y56-N60 PolarHBondContact OH-ND2 2.71Å
61	K	47.1	Very low	46.9	Very low	80 Å²	80	108.8 Å²	108.8	35%	0.348	56%	0.564	S	S	.	*			trans	-126.3	14.3	-170.8	-118.6	-173.4	-178.3	-169.6	0	119	Y57 N63	Y57-K61 HydrophobicContact CD1-CD 4.33Å; Y57-K61 WeakPolarHBondContact O-CB 3.2Å; K61-N63 PolarHBondContact O-N 3.04Å
62	C	36.5	Very low	46.2	Very low	126 Å²	126	111.9 Å²	111.9	85%	0.851	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	4.4	168	-84.9	0	0	0	0	115
63	N	38.6	Very low	45.5	Very low	172 Å²	172	111.5 Å²	111.5	92%	0.92	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	9.3	176.6	-91.1	-4.5	0	0	0	115.3	K61	K61-N63 PolarHBondContact O-N 3.04Å
64	S	39.5	Very low	44.8	Very low	63 Å²	63	114.4 Å²	114.4	44%	0.441	60%	0.596	S	S	.	*	S	Bend	trans	-140.3	112.3	175.4	68.5	0	0	0	0	112.3	C66	S64-C66 PolarHBondContact O-N 3.45Å
65	K	37.4	Very low	43.8	Very low	152 Å²	152	118.5 Å²	118.5	66%	0.661	62%	0.619	S	S	*	*			trans	-63.5	87.9	176	-66.1	-177.7	177.8	-160.4	0	112.3	F79	K65-F79 WeakPolarHBondContact CE-O 3.37Å; K65-F79 PolarHBondContact NZ-O 3.09Å
66	C	36.7	Very low	42.7	Very low	70 Å²	70	116.4 Å²	116.4	47%	0.473	62%	0.618	S	S	.	*			trans	-147.4	92.8	167.3	-100.4	0	0	0	0	110.9	S64 C76	S64-C66 PolarHBondContact O-N 3.45Å; C66-C76 PolarHBondContact SG-SG 3.07Å
67	L	36.1	Very low	41.6	Very low	119 Å²	119	116.4 Å²	116.4	62%	0.623	63%	0.627	S	S	*	*			trans	-104.7	131.7	162.4	-110.9	131.9	0	0	0	107.1	L32	L32-L67 HydrophobicContact CD1-CD2 4.25Å; L32-L67 HydrophobicContact CD2-CD2 4.45Å
68	L	38.1	Very low	40.5	Very low	144 Å²	144	117.5 Å²	117.5	75%	0.754	64%	0.644	S	S	*	*			trans	69.7	89.4	172	-60.2	157.2	0	0	0	115.9	D70	L68-D70 PolarHBondContact O-N 3.38Å
69	T	38.1	Very low	39.6	Very low	84 Å²	84	125.4 Å²	125.4	52%	0.515	68%	0.676	S	S	.	*			trans	-83.9	103.6	156.4	40.9	0	0	0	0	108.2	I71	T69-I71 PolarHBondContact O-N 3.49Å
70	D	39.7	Very low	39	Very low	118 Å²	118	123.3 Å²	123.3	63%	0.631	67%	0.671	S	S	*	*	B	Isolated β-bridge	trans	-53.3	124.9	154.9	-149.7	-17	0	0	0	107	L68 N72 N73	L68-D70 PolarHBondContact O-N 3.38Å; D70-N72 PolarHBondContact O-N 3.02Å; D70-N73 HydrophobicContact CB-CB 4.49Å; D70-N73 PolarHBondContact O-N 3.46Å; D70-N73 VanDerWaalsContact O-N 3.09Å
71	I	46	Very low	38.6	Very low	155 Å²	155	124.2 Å²	124.2	80%	0.795	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-15.4	-168.8	-73.8	168.4	0	0	0	112.1	T69	T69-I71 PolarHBondContact O-N 3.49Å
72	N	45.1	Very low	38.1	Very low	146 Å²	146	126.7 Å²	126.7	78%	0.781	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	2.7	-178.4	-65.8	-32.2	0	0	0	115.6	D70	D70-N72 PolarHBondContact O-N 3.02Å
73	N	42.6	Very low	38.2	Very low	108 Å²	108	126.7 Å²	126.7	58%	0.578	69%	0.685	S	S	*	*	B	Isolated β-bridge	trans	-152	105.3	-178.7	-101.3	-25	0	0	0	112.3	D70 N75	D70-N73 HydrophobicContact CB-CB 4.49Å; D70-N73 PolarHBondContact O-N 3.46Å; D70-N73 VanDerWaalsContact O-N 3.09Å; N73-N75 VanDerWaalsContact C-N 3.35Å; N73-N75 PolarHBondContact O-N 2.84Å
74	V	42.5	Very low	38.2	Very low	121 Å²	121	123.9 Å²	123.9	73%	0.733	67%	0.671	S	S	*	*			trans	-79.9	81.2	175.5	-175.1	0	0	0	0	109.3
75	N	33.8	Very low	38.1	Very low	132 Å²	132	127.9 Å²	127.9	71%	0.706	69%	0.686	S	S	*	*			trans	-113.7	113	166.5	-84	-18.5	0	0	0	109.5	N73	N73-N75 VanDerWaalsContact C-N 3.35Å; N73-N75 PolarHBondContact O-N 2.84Å
76	C	35.6	Very low	38.1	Very low	87 Å²	87	126.2 Å²	126.2	59%	0.588	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-78.1	122.1	173.3	-73	0	0	0	0	110.4	C66	C66-C76 PolarHBondContact SG-SG 3.07Å
77	I	34.2	Very low	38.3	Very low	152 Å²	152	130.5 Å²	130.5	78%	0.779	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-94.4	120.8	165	-59.2	172.7	0	0	0	107.7
78	S	31.3	Very low	38.4	Very low	86 Å²	86	131.5 Å²	131.5	60%	0.601	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-86.4	127.7	171.8	63.5	0	0	0	0	110.6
79	F	34.3	Very low	38.5	Very low	245 Å²	245	130.4 Å²	130.4	100%	1.075	71%	0.707	S	S	*	*			trans	-87.8	0	143.8	-80.4	-85.6	0	0	0	109.5	K65	K65-F79 WeakPolarHBondContact CE-O 3.37Å; K65-F79 PolarHBondContact NZ-O 3.09Å

Retrieved 79 of 79 residues in 24.1 ms (Link to these results)

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