G4VSD3_SCHMA Loading...

Putative mrg-binding protein

AlphaFold DB , UniProt , Accession G4VSD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 158 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.3	Very low	54.6	Low	239 Å²	239	129.2 Å²	129.2	100%	1.177	73%	0.728	S	S	*	*				0	75.2	0	-157.2	167	165.5	0	0	106.7
2	V	42.5	Very low	57.7	Low	145 Å²	145	128.3 Å²	128.3	88%	0.879	72%	0.718	S	S	*	*			trans	-139.7	124.3	165.9	-173.5	0	0	0	0	103.2
3	D	39.2	Very low	60.2	Low	149 Å²	149	126.2 Å²	126.2	80%	0.797	70%	0.7	S	S	*	*			trans	-69.9	146.3	-159.5	-70.6	-51.6	0	0	0	114.2	A5	D3-A5 PolarHBondContact O-N 3.23Å
4	Q	32.4	Very low	62.5	Low	201 Å²	201	117.2 Å²	117.2	94%	0.939	65%	0.65	S	S	*	*			trans	-53.1	100.7	163.2	-168	175.1	-4.5	0	0	110.2
5	A	40.8	Very low	64.5	Low	84 Å²	84	112.6 Å²	112.6	69%	0.694	62%	0.621	S	S	*	*			trans	-116.5	129.2	163.6	0	0	0	0	0	107.5	D3	D3-A5 PolarHBondContact O-N 3.23Å
6	G	45.6	Very low	66.3	Low	61 Å²	61	109.7 Å²	109.7	63%	0.629	60%	0.604	S	S	*	*			trans	-52.6	155.8	-166.9	0	0	0	0	0	113.4	D8	G6-D8 VanDerWaalsContact C-N 3.26Å; G6-D8 PolarHBondContact O-N 2.88Å
7	L	48.3	Very low	68	Low	181 Å²	181	104.2 Å²	104.2	95%	0.948	57%	0.573	S	S	*	*			trans	-34.5	87.6	171.6	-75.6	151.4	0	0	0	111.4	V9	L7-V9 PolarHBondContact O-N 2.65Å
8	D	63.2	Low	69.4	Low	126 Å²	126	98.4 Å²	98.4	67%	0.674	54%	0.541	S	S	*	.			trans	-73	108.1	179.3	-93.7	-22	0	0	0	104.9	G6 W10	G6-D8 VanDerWaalsContact C-N 3.26Å; G6-D8 PolarHBondContact O-N 2.88Å; D8-W10 PolarHBondContact O-N 3.1Å
9	V	77.3	Confident	70.8	Confident	88 Å²	88	97.2 Å²	97.2	53%	0.533	53%	0.53	S	S	.	.	S	Bend	trans	-53.2	-17.9	170.5	179.1	0	0	0	0	110.6	L7	L7-V9 PolarHBondContact O-N 2.65Å
10	W	86.3	Confident	72	Confident	34 Å²	34	97.4 Å²	97.4	13%	0.129	53%	0.527	C	S	.	.			trans	-95.4	108.5	-179.7	-64.9	97.4	0	0	0	112.1	D8 E15 L18 I51 I56 K59	D8-W10 PolarHBondContact O-N 3.1Å; W10-E15 HydrophobicContact CB-CG 4.26Å; W10-E15 HydrophobicContact CE3-CG 4.19Å; W10-L18 HydrophobicContact CH2-CD2 3.93Å; W10-L18 HydrophobicContact CZ3-CB 4.2Å; W10-L18 HydrophobicContact CZ3-CD2 3.92Å; W10-I51 HydrophobicContact CE3-CD1 4.09Å; W10-I51 HydrophobicContact CH2-CD1 4.04Å; W10-I51 HydrophobicContact CH2-CG2 4.05Å; W10-I51 HydrophobicContact CZ2-CG2 3.94Å; W10-I51 HydrophobicContact CZ3-CD1 3.79Å; W10-I56 HydrophobicContact CH2-CB 4.49Å; W10-I56 HydrophobicContact CH2-CG1 3.94Å; W10-I56 HydrophobicContact CZ2-CG1 4.27Å; W10-K59 HydrophobicContact CD2-CB 4.39Å; W10-K59 HydrophobicContact CD2-CD 4.18Å; W10-K59 HydrophobicContact CD2-CG 3.97Å; W10-K59 HydrophobicContact CE3-CG 4.45Å; W10-K59 HydrophobicContact CG-CD 4.11Å; W10-K59 HydrophobicContact CG-CG 4.44Å; W10-K59 HydrophobicContact CH2-CB 4.22Å; W10-K59 HydrophobicContact CH2-CG 4.29Å; W10-K59 HydrophobicContact CZ2-CB 3.45Å; W10-K59 VanDerWaalsContact CZ2-CB 3.45Å; W10-K59 HydrophobicContact CZ2-CG 3.83Å
11	N	88	Confident	73.1	Confident	113 Å²	113	92.7 Å²	92.7	60%	0.604	50%	0.502	S	S	*	.			trans	-86.9	157.1	163.8	-169.4	4.1	0	0	0	110.2	E13 S14 E15	N11-E13 PolarHBondContact O-N 3.24Å; N11-S14 PolarHBondContact N-OG 3.33Å; N11-S14 WeakPolarHBondContact O-CA 3.32Å; N11-S14 WeakPolarHBondContact O-CB 3.41Å; N11-S14 PolarHBondContact O-N 2.66Å; N11-S14 PolarHBondContact O-OG 3.03Å; N11-E15 PolarHBondContact O-N 2.64Å
12	L	91	Very high	75.9	Confident	118 Å²	118	82.7 Å²	82.7	62%	0.618	45%	0.452	S	S	*	.	H	α-helix	trans	-53.7	-40.8	178.2	-175.2	67.8	0	0	0	112	S14 E15 I16	L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.04Å; L12-E15 PolarHBondContact O-N 3.32Å; L12-I16 HydrophobicContact CG-CD1 4.03Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.04Å; L12-I16 PolarHBondContact O-N 3.38Å
13	E	91.2	Very high	78.3	Confident	102 Å²	102	82.4 Å²	82.4	48%	0.477	45%	0.445	S	S	.	.	H	α-helix	trans	-61.6	-41.4	176.8	-170.3	61.2	-158.3	0	0	112.2	N11 E15 I16 Q17	N11-E13 PolarHBondContact O-N 3.24Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 3.13Å; E13-I16 PolarHBondContact O-N 2.85Å; E13-Q17 WeakPolarHBondContact O-CB 3.42Å; E13-Q17 PolarHBondContact O-N 2.79Å
14	S	91.7	Very high	80.8	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-68	-33.2	177.7	67.7	0	0	0	0	112.6	N11 L12 L18	N11-S14 PolarHBondContact N-OG 3.33Å; N11-S14 WeakPolarHBondContact O-CA 3.32Å; N11-S14 WeakPolarHBondContact O-CB 3.41Å; N11-S14 PolarHBondContact O-N 2.66Å; N11-S14 PolarHBondContact O-OG 3.03Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.04Å; S14-L18 WeakPolarHBondContact O-CB 3.43Å; S14-L18 PolarHBondContact O-N 3.41Å
15	E	93	Very high	83.7	Confident	48 Å²	48	74.1 Å²	74.1	22%	0.224	41%	0.405	C	S	.	.	H	α-helix	trans	-71	-44.6	174.6	-68.5	-168.6	158.3	0	0	111.9	W10 N11 L12 E13 Q17 L18 F19 K59	W10-E15 HydrophobicContact CB-CG 4.26Å; W10-E15 HydrophobicContact CE3-CG 4.19Å; N11-E15 PolarHBondContact O-N 2.64Å; L12-E15 PolarHBondContact O-N 3.32Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 3.13Å; E15-Q17 PolarHBondContact O-N 2.99Å; E15-L18 WeakPolarHBondContact O-CB 3.32Å; E15-L18 PolarHBondContact O-N 3.45Å; E15-L18 VanDerWaalsContact O-N 3.13Å; E15-F19 HydrophobicContact CB-CE2 4.13Å; E15-F19 WeakPolarHBondContact O-CD2 3.04Å; E15-F19 WeakPolarHBondContact O-CG 3.49Å; E15-F19 PolarHBondContact O-N 2.97Å; E15-K59 WeakPolarHBondContact OE1-CE 3.41Å; E15-K59 IonicContact OE1-NZ 2.64Å; E15-K59 PolarHBondContact OE1-NZ 3.47Å
16	I	93.8	Very high	86.2	Confident	66 Å²	66	74.9 Å²	74.9	34%	0.338	39%	0.393	S	S	.	.	H	α-helix	trans	-55.5	-47	174.1	-69.9	165.6	0	0	0	109.4	L12 E13 L18 F19 H20	L12-I16 HydrophobicContact CG-CD1 4.03Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.04Å; L12-I16 PolarHBondContact O-N 3.38Å; E13-I16 PolarHBondContact O-N 2.85Å; I16-L18 VanDerWaalsContact C-N 3.35Å; I16-L18 PolarHBondContact O-N 2.92Å; I16-F19 PolarHBondContact O-N 2.82Å; I16-H20 PolarHBondContact O-CD2 2.61Å; I16-H20 PolarHBondContact O-N 3.14Å
17	Q	93.9	Very high	88.4	Confident	16 Å²	16	72.4 Å²	72.4	8%	0.075	37%	0.366	C	S	.	.	H	α-helix	trans	-65.8	-37.2	178.9	-171	59.1	16.2	0	0	112.8	E13 E15 F19 H20 A21 L42 V43 F46	E13-Q17 WeakPolarHBondContact O-CB 3.42Å; E13-Q17 PolarHBondContact O-N 2.79Å; E15-Q17 PolarHBondContact O-N 2.99Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-F19 PolarHBondContact O-N 3.28Å; Q17-H20 PolarHBondContact O-N 3.38Å; Q17-A21 WeakPolarHBondContact O-CB 3.37Å; Q17-A21 PolarHBondContact O-N 2.89Å; Q17-L42 WeakPolarHBondContact CG-O 3.49Å; Q17-L42 PolarHBondContact NE2-O 3.46Å; Q17-V43 HydrophobicContact CG-CG2 4.44Å; Q17-F46 HydrophobicContact CG-CB 4.14Å; Q17-F46 HydrophobicContact CG-CD2 3.81Å; Q17-F46 HydrophobicContact CG-CG 4.22Å
18	L	94.7	Very high	90.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.5	-46.4	172.2	176.6	64.6	0	0	0	110.9	W10 S14 E15 I16 H20 A21 I22 V39 V43 I56 K59 L60	W10-L18 HydrophobicContact CH2-CD2 3.93Å; W10-L18 HydrophobicContact CZ3-CB 4.2Å; W10-L18 HydrophobicContact CZ3-CD2 3.92Å; S14-L18 WeakPolarHBondContact O-CB 3.43Å; S14-L18 PolarHBondContact O-N 3.41Å; E15-L18 WeakPolarHBondContact O-CB 3.32Å; E15-L18 PolarHBondContact O-N 3.45Å; E15-L18 VanDerWaalsContact O-N 3.13Å; I16-L18 VanDerWaalsContact C-N 3.35Å; I16-L18 PolarHBondContact O-N 2.92Å; L18-H20 PolarHBondContact O-N 3.46Å; L18-A21 WeakPolarHBondContact O-CB 3.37Å; L18-A21 PolarHBondContact O-N 3.26Å; L18-A21 VanDerWaalsContact O-N 3.14Å; L18-I22 HydrophobicContact CD1-CG2 4.13Å; L18-I22 WeakPolarHBondContact O-CG2 3.31Å; L18-I22 PolarHBondContact O-N 3.05Å; L18-V39 HydrophobicContact CD1-CG1 3.78Å; L18-V43 HydrophobicContact CB-CG2 4.14Å; L18-V43 HydrophobicContact CD1-CG2 4.17Å; L18-I56 HydrophobicContact CD1-CG2 3.77Å; L18-K59 HydrophobicContact CD2-CG 3.96Å; L18-L60 HydrophobicContact CD1-CD2 4.44Å; L18-L60 HydrophobicContact CD2-CD2 4.33Å
19	F	95	Very high	91.8	Very high	75 Å²	75	58.3 Å²	58.3	33%	0.329	29%	0.293	S	S	.	.	H	α-helix	trans	-64	-41.1	178.7	-62.7	-47.6	0	0	0	112.2	E15 I16 Q17 A21 I22 L23 L63	E15-F19 HydrophobicContact CB-CE2 4.13Å; E15-F19 WeakPolarHBondContact O-CD2 3.04Å; E15-F19 WeakPolarHBondContact O-CG 3.49Å; E15-F19 PolarHBondContact O-N 2.97Å; I16-F19 PolarHBondContact O-N 2.82Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-F19 PolarHBondContact O-N 3.28Å; F19-A21 VanDerWaalsContact C-N 3.28Å; F19-A21 PolarHBondContact O-N 2.98Å; F19-I22 HydrophobicContact CD1-CD1 3.96Å; F19-I22 WeakPolarHBondContact O-CG1 3.42Å; F19-L23 VanDerWaalsContact O-CG 3.27Å; F19-L23 WeakPolarHBondContact O-CG 3.27Å; F19-L23 PolarHBondContact O-N 3.46Å; F19-L63 HydrophobicContact CE1-CD1 3.99Å; F19-L63 HydrophobicContact CZ-CD1 4.1Å
20	H	94.8	Very high	92.3	Very high	101 Å²	101	58.1 Å²	58.1	47%	0.468	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-36.7	172.2	-78.7	-67.6	0	0	0	113	I16 Q17 L18 N24	I16-H20 PolarHBondContact O-CD2 2.61Å; I16-H20 PolarHBondContact O-N 3.14Å; Q17-H20 PolarHBondContact O-N 3.38Å; L18-H20 PolarHBondContact O-N 3.46Å; H20-N24 PolarHBondContact O-ND2 3.49Å
21	A	95.5	Very high	92.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.4	-46.5	179.7	0	0	0	0	0	112.3	Q17 L18 F19 L23 N24 H25 V39 L42 V43	Q17-A21 WeakPolarHBondContact O-CB 3.37Å; Q17-A21 PolarHBondContact O-N 2.89Å; L18-A21 WeakPolarHBondContact O-CB 3.37Å; L18-A21 PolarHBondContact O-N 3.26Å; L18-A21 VanDerWaalsContact O-N 3.14Å; F19-A21 VanDerWaalsContact C-N 3.28Å; F19-A21 PolarHBondContact O-N 2.98Å; A21-L23 VanDerWaalsContact C-N 3.27Å; A21-L23 PolarHBondContact O-N 2.95Å; A21-N24 PolarHBondContact O-N 3.19Å; A21-H25 PolarHBondContact O-N 2.93Å; A21-V39 HydrophobicContact CB-CB 4.4Å; A21-V39 HydrophobicContact CB-CG1 3.99Å; A21-V39 HydrophobicContact CB-CG2 4.42Å; A21-L42 HydrophobicContact CB-CB 4.11Å; A21-L42 HydrophobicContact CB-CD2 3.64Å; A21-L42 HydrophobicContact CB-CG 4Å; A21-V43 HydrophobicContact CB-CG2 4.32Å
22	I	94.8	Very high	92.8	Very high	28 Å²	28	58.1 Å²	58.1	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-22.8	-178.1	66.2	177.4	0	0	0	113.7	L18 F19 N24 H25 P27 V39 L60 Y64	L18-I22 HydrophobicContact CD1-CG2 4.13Å; L18-I22 WeakPolarHBondContact O-CG2 3.31Å; L18-I22 PolarHBondContact O-N 3.05Å; F19-I22 HydrophobicContact CD1-CD1 3.96Å; F19-I22 WeakPolarHBondContact O-CG1 3.42Å; I22-N24 PolarHBondContact O-N 2.92Å; I22-H25 WeakPolarHBondContact CA-O 3.38Å; I22-P27 HydrophobicContact CG2-CG 4.12Å; I22-V39 HydrophobicContact CG2-CG1 4.3Å; I22-V39 HydrophobicContact CG2-CG2 4.38Å; I22-L60 HydrophobicContact CD1-CD2 4.45Å; I22-L60 HydrophobicContact CG2-CD2 4.12Å; I22-Y64 HydrophobicContact CD1-CE2 4.12Å
23	L	93.4	Very high	93	Very high	140 Å²	140	57.7 Å²	57.7	73%	0.733	29%	0.291	S	S	*	.	H	α-helix	trans	-63.2	-33.5	173.2	-76.6	171.3	0	0	0	112.1	F19 A21	F19-L23 VanDerWaalsContact O-CG 3.27Å; F19-L23 WeakPolarHBondContact O-CG 3.27Å; F19-L23 PolarHBondContact O-N 3.46Å; A21-L23 VanDerWaalsContact C-N 3.27Å; A21-L23 PolarHBondContact O-N 2.95Å
24	N	92.2	Very high	93.2	Very high	124 Å²	124	59.6 Å²	59.6	66%	0.663	30%	0.298	S	S	*	.	H	α-helix	trans	-97.8	-34.3	-179.4	-63.8	-63.9	0	0	0	112.4	H20 A21 I22	H20-N24 PolarHBondContact O-ND2 3.49Å; A21-N24 PolarHBondContact O-N 3.19Å; I22-N24 PolarHBondContact O-N 2.92Å
25	H	93.9	Very high	93.3	Very high	51 Å²	51	61.5 Å²	61.5	24%	0.236	31%	0.307	C	S	.	.	S	Bend	trans	-121.2	100.4	-176.4	-67.9	-70.5	0	0	0	110.1	A21 I22 P27 Q35 Y38 V39	A21-H25 PolarHBondContact O-N 2.93Å; I22-H25 WeakPolarHBondContact CA-O 3.38Å; H25-P27 VanDerWaalsContact O-CD 3.26Å; H25-P27 WeakPolarHBondContact O-CD 3.4Å; H25-Q35 PolarHBondContact ND1-OE1 2.93Å; H25-Y38 AromaticContact CE1-CG 3.77Å; H25-Y38 AromaticContact ND1-CG 3.93Å; H25-V39 HydrophobicContact CB-CG2 3.67Å; H25-V39 WeakPolarHBondContact O-CG2 3.36Å
26	K	91.8	Very high	93.5	Very high	100 Å²	100	59.3 Å²	59.3	44%	0.435	30%	0.297	S	S	.	.			trans	-76	116.3	-176.1	-167.5	-179.3	56.8	166	0	110.1	V28 Q35 E73	K26-V28 HydrophobicContact CD-CG2 3.58Å; K26-V28 HydrophobicContact CG-CG2 3.52Å; K26-V28 PolarHBondContact O-N 3.36Å; K26-Q35 VanDerWaalsContact O-CB 3.22Å; K26-Q35 WeakPolarHBondContact O-CB 3.23Å; K26-Q35 WeakPolarHBondContact O-CG 3.26Å; K26-E73 VanDerWaalsContact CE-CD 3.45Å; K26-E73 WeakPolarHBondContact CE-OE1 3.29Å; K26-E73 VanDerWaalsContact CE-OE2 3.23Å; K26-E73 WeakPolarHBondContact CE-OE2 3.42Å; K26-E73 IonicContact NZ-OE1 2.78Å; K26-E73 PolarHBondContact NZ-OE1 3.19Å; K26-E73 IonicContact NZ-OE2 3.04Å; K26-E73 PolarHBondContact NZ-OE2 3.13Å
27	P	92.1	Very high	93.5	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.065	31%	0.306	C	S	.	.	S	Bend	trans	-80.2	34.9	-174.6	33.9	-35.5	0	0	0	113.3	I22 H25 M36 W57 L60 M66	I22-P27 HydrophobicContact CG2-CG 4.12Å; H25-P27 VanDerWaalsContact O-CD 3.26Å; H25-P27 WeakPolarHBondContact O-CD 3.4Å; P27-M36 HydrophobicContact CB-CE 3.72Å; P27-W57 HydrophobicContact CB-CH2 4.43Å; P27-W57 VanDerWaalsContact O-CH2 3.31Å; P27-W57 WeakPolarHBondContact O-CH2 3.47Å; P27-L60 HydrophobicContact CB-CD1 4Å; P27-L60 HydrophobicContact CG-CD1 3.76Å; P27-M66 HydrophobicContact CB-CE 4.26Å; P27-M66 HydrophobicContact CG-CE 4.07Å; P27-M66 WeakPolarHBondContact O-CE 3.25Å
28	V	92.3	Very high	93.6	Very high	8 Å²	8	66.7 Å²	66.7	5%	0.048	33%	0.327	C	S	.	.			trans	-133.4	176.3	178.6	-69.2	0	0	0	0	111	K26 M66 L69 E73	K26-V28 HydrophobicContact CD-CG2 3.58Å; K26-V28 HydrophobicContact CG-CG2 3.52Å; K26-V28 PolarHBondContact O-N 3.36Å; V28-M66 HydrophobicContact CG1-CE 3.66Å; V28-M66 HydrophobicContact CG1-SD 4.47Å; V28-L69 HydrophobicContact CB-CB 4.42Å; V28-L69 HydrophobicContact CG1-CB 3.73Å; V28-L69 HydrophobicContact CG2-CB 4.29Å; V28-E73 VanDerWaalsContact CG2-OE2 3.31Å; V28-E73 WeakPolarHBondContact CG2-OE2 3.37Å
29	G	90.3	Very high	93.6	Very high	3 Å²	3	66.7 Å²	66.7	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	89	-166.4	178.9	0	0	0	0	0	116.2	D31 R32 H70 E73	G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.44Å; G29-R32 WeakPolarHBondContact O-CB 3.47Å; G29-R32 PolarHBondContact O-N 2.94Å; G29-H70 PolarHBondContact N-ND1 2.71Å; G29-H70 PolarHBondContact O-CE1 2.87Å; G29-H70 VanDerWaalsContact O-CE1 3.24Å; G29-H70 PolarHBondContact O-ND1 3.01Å; G29-E73 WeakPolarHBondContact CA-OE2 3.5Å; G29-E73 PolarHBondContact N-OE2 2.98Å
30	A	88.5	Confident	93.6	Very high	84 Å²	84	63.9 Å²	63.9	69%	0.694	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.7	-176.9	0	0	0	0	0	112.5
31	D	91.5	Very high	93.7	Very high	61 Å²	61	64.2 Å²	64.2	33%	0.326	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	16.8	-178	65.3	-34	0	0	0	113.2	G29 H33 F34 Q35	G29-D31 VanDerWaalsContact C-N 3.29Å; G29-D31 PolarHBondContact O-N 3.44Å; D31-H33 PolarHBondContact O-N 2.91Å; D31-F34 HydrophobicContact CB-CD2 4.23Å; D31-F34 WeakPolarHBondContact O-CA 3.37Å; D31-F34 WeakPolarHBondContact O-CB 3.31Å; D31-F34 PolarHBondContact O-N 3.44Å; D31-Q35 PolarHBondContact O-N 3.17Å; D31-Q35 WeakPolarHBondContact OD2-CG 3.5Å; D31-Q35 PolarHBondContact OD2-NE2 3.26Å
32	R	93.1	Very high	93.6	Very high	86 Å²	86	66.4 Å²	66.4	33%	0.325	33%	0.333	S	S	.	.	H	α-helix	trans	-48.7	-37.5	-175.4	71.1	178.9	179.2	-113.5	2.8	114.8	G29 M36 W57 H70	G29-R32 WeakPolarHBondContact O-CB 3.47Å; G29-R32 PolarHBondContact O-N 2.94Å; R32-M36 WeakPolarHBondContact O-CB 3.39Å; R32-M36 PolarHBondContact O-N 3.48Å; R32-W57 HydrophobicContact CB-CH2 4.19Å; R32-W57 HydrophobicContact CG-CH2 4.3Å; R32-H70 PolarHBondContact NH1-CE1 3.24Å; R32-H70 PolarHBondContact NH1-NE2 3Å; R32-H70 VanDerWaalsContact NH1-NE2 3.18Å
33	H	95.8	Very high	93.5	Very high	108 Å²	108	65 Å²	65	50%	0.5	33%	0.326	S	S	.	.	H	α-helix	trans	-71.9	-36	-179.6	-56.3	97.4	0	0	0	111.7	D31 M36 I37	D31-H33 PolarHBondContact O-N 2.91Å; H33-M36 PolarHBondContact O-N 2.95Å; H33-I37 WeakPolarHBondContact O-CG1 3.36Å; H33-I37 PolarHBondContact O-N 3.4Å
34	F	94.7	Very high	93.5	Very high	143 Å²	143	60.7 Å²	60.7	63%	0.627	30%	0.304	S	S	*	.	H	α-helix	trans	-70.2	-43.8	174.6	-64.2	-67.9	0	0	0	110.8	D31 M36 I37 Y38	D31-F34 HydrophobicContact CB-CD2 4.23Å; D31-F34 WeakPolarHBondContact O-CA 3.37Å; D31-F34 WeakPolarHBondContact O-CB 3.31Å; D31-F34 PolarHBondContact O-N 3.44Å; F34-M36 VanDerWaalsContact C-N 3.26Å; F34-M36 PolarHBondContact O-N 3.39Å; F34-I37 WeakPolarHBondContact O-CB 3.35Å; F34-I37 PolarHBondContact O-N 3.02Å; F34-I37 VanDerWaalsContact O-N 3.12Å; F34-Y38 WeakPolarHBondContact O-CD2 3.48Å; F34-Y38 PolarHBondContact O-N 3.41Å
35	Q	94.8	Very high	93.5	Very high	40 Å²	40	58.4 Å²	58.4	19%	0.187	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-40.3	174.3	-62.5	-63.4	-13.4	0	0	111.3	H25 K26 D31 I37 Y38 V39	H25-Q35 PolarHBondContact ND1-OE1 2.93Å; K26-Q35 VanDerWaalsContact O-CB 3.22Å; K26-Q35 WeakPolarHBondContact O-CB 3.23Å; K26-Q35 WeakPolarHBondContact O-CG 3.26Å; D31-Q35 PolarHBondContact O-N 3.17Å; D31-Q35 WeakPolarHBondContact OD2-CG 3.5Å; D31-Q35 PolarHBondContact OD2-NE2 3.26Å; Q35-I37 VanDerWaalsContact C-N 3.31Å; Q35-I37 PolarHBondContact O-N 3.01Å; Q35-Y38 WeakPolarHBondContact O-CB 3.18Å; Q35-Y38 PolarHBondContact O-N 2.98Å; Q35-Y38 VanDerWaalsContact O-N 3.11Å; Q35-V39 WeakPolarHBondContact O-CG2 3.47Å; Q35-V39 PolarHBondContact O-N 3.4Å
36	M	95.7	Very high	93.1	Very high	2 Å²	2	62 Å²	62	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-35.6	175.9	-174.3	55	67.1	0	0	113.4	P27 R32 H33 F34 Y38 V39 C40 T53 I56 W57 L60	P27-M36 HydrophobicContact CB-CE 3.72Å; R32-M36 WeakPolarHBondContact O-CB 3.39Å; R32-M36 PolarHBondContact O-N 3.48Å; H33-M36 PolarHBondContact O-N 2.95Å; F34-M36 VanDerWaalsContact C-N 3.26Å; F34-M36 PolarHBondContact O-N 3.39Å; M36-Y38 VanDerWaalsContact C-N 3.28Å; M36-Y38 PolarHBondContact O-N 2.65Å; M36-V39 PolarHBondContact O-N 3.11Å; M36-V39 HydrophobicContact SD-CB 4.23Å; M36-V39 HydrophobicContact SD-CG1 4.34Å; M36-C40 WeakPolarHBondContact O-CB 3.39Å; M36-C40 PolarHBondContact O-N 3.46Å; M36-T53 HydrophobicContact CG-CG2 4.25Å; M36-I56 HydrophobicContact CE-CG2 3.97Å; M36-I56 HydrophobicContact SD-CB 4.02Å; M36-I56 HydrophobicContact SD-CG2 3.52Å; M36-I56 VanDerWaalsContact SD-CG2 3.52Å; M36-W57 HydrophobicContact CB-CZ2 3.69Å; M36-W57 HydrophobicContact CE-CD2 3.5Å; M36-W57 HydrophobicContact CE-CE3 3.73Å; M36-W57 HydrophobicContact CE-CG 4.14Å; M36-W57 HydrophobicContact CE-CH2 3.72Å; M36-W57 HydrophobicContact CE-CZ2 3.51Å; M36-W57 HydrophobicContact CE-CZ3 3.85Å; M36-W57 HydrophobicContact CG-CZ2 3.85Å; M36-L60 HydrophobicContact CE-CD1 3.57Å
37	I	95.4	Very high	92.7	Very high	104 Å²	104	58.6 Å²	58.6	53%	0.533	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-42.4	174.9	-66.7	164.5	0	0	0	110	H33 F34 Q35 N41	H33-I37 WeakPolarHBondContact O-CG1 3.36Å; H33-I37 PolarHBondContact O-N 3.4Å; F34-I37 WeakPolarHBondContact O-CB 3.35Å; F34-I37 PolarHBondContact O-N 3.02Å; F34-I37 VanDerWaalsContact O-N 3.12Å; Q35-I37 VanDerWaalsContact C-N 3.31Å; Q35-I37 PolarHBondContact O-N 3.01Å; I37-N41 WeakPolarHBondContact O-CB 3.38Å; I37-N41 PolarHBondContact O-N 3.47Å
38	Y	95.3	Very high	92.2	Very high	133 Å²	133	63.3 Å²	63.3	52%	0.522	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-46	175.5	-71.2	-72	0	0	0	112.2	H25 F34 Q35 M36 C40 N41 L42	H25-Y38 AromaticContact CE1-CG 3.77Å; H25-Y38 AromaticContact ND1-CG 3.93Å; F34-Y38 WeakPolarHBondContact O-CD2 3.48Å; F34-Y38 PolarHBondContact O-N 3.41Å; Q35-Y38 WeakPolarHBondContact O-CB 3.18Å; Q35-Y38 PolarHBondContact O-N 2.98Å; Q35-Y38 VanDerWaalsContact O-N 3.11Å; M36-Y38 VanDerWaalsContact C-N 3.28Å; M36-Y38 PolarHBondContact O-N 2.65Å; Y38-C40 PolarHBondContact O-N 3.21Å; Y38-N41 PolarHBondContact O-N 2.96Å; Y38-L42 VanDerWaalsContact O-CB 3.3Å; Y38-L42 WeakPolarHBondContact O-CB 3.31Å; Y38-L42 PolarHBondContact O-N 3.34Å
39	V	95.7	Very high	91.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-49.9	176.6	172.9	0	0	0	0	110.6	L18 A21 I22 H25 Q35 M36 N41 L42 V43 I56	L18-V39 HydrophobicContact CD1-CG1 3.78Å; A21-V39 HydrophobicContact CB-CB 4.4Å; A21-V39 HydrophobicContact CB-CG1 3.99Å; A21-V39 HydrophobicContact CB-CG2 4.42Å; I22-V39 HydrophobicContact CG2-CG1 4.3Å; I22-V39 HydrophobicContact CG2-CG2 4.38Å; H25-V39 HydrophobicContact CB-CG2 3.67Å; H25-V39 WeakPolarHBondContact O-CG2 3.36Å; Q35-V39 WeakPolarHBondContact O-CG2 3.47Å; Q35-V39 PolarHBondContact O-N 3.4Å; M36-V39 PolarHBondContact O-N 3.11Å; M36-V39 HydrophobicContact SD-CB 4.23Å; M36-V39 HydrophobicContact SD-CG1 4.34Å; V39-N41 PolarHBondContact O-N 3.22Å; V39-L42 PolarHBondContact O-N 3.2Å; V39-V43 HydrophobicContact CG1-CG2 4.39Å; V39-V43 WeakPolarHBondContact O-CG2 3.5Å; V39-V43 PolarHBondContact O-N 3.36Å; V39-I56 HydrophobicContact CG1-CG2 4.12Å
40	C	94.9	Very high	91.9	Very high	16 Å²	16	73.7 Å²	73.7	11%	0.108	39%	0.394	C	S	.	.	H	α-helix	trans	-59.7	-46.2	179.4	-178.4	0	0	0	0	112.4	M36 Y38 L42 V43 N44 T53 I56	M36-C40 WeakPolarHBondContact O-CB 3.39Å; M36-C40 PolarHBondContact O-N 3.46Å; Y38-C40 PolarHBondContact O-N 3.21Å; C40-L42 VanDerWaalsContact C-N 3.3Å; C40-L42 PolarHBondContact O-N 3.04Å; C40-V43 PolarHBondContact O-N 2.78Å; C40-N44 WeakPolarHBondContact O-CB 2.93Å; C40-N44 VanDerWaalsContact O-CG 3.3Å; C40-N44 PolarHBondContact O-N 2.97Å; C40-N44 PolarHBondContact O-ND2 3.36Å; C40-N44 PolarHBondContact SG-ND2 3.14Å; C40-N44 VanDerWaalsContact SG-ND2 3.35Å; C40-T53 HydrophobicContact CB-CG2 3.84Å; C40-I56 VanDerWaalsContact CA-CD1 3.45Å; C40-I56 HydrophobicContact CB-CD1 3.56Å
41	N	95.1	Very high	92	Very high	107 Å²	107	69.9 Å²	69.9	57%	0.572	36%	0.362	S	S	*	.	H	α-helix	trans	-61.6	-40.9	176.4	-175.5	57.1	0	0	0	111.9	I37 Y38 V39 S45	I37-N41 WeakPolarHBondContact O-CB 3.38Å; I37-N41 PolarHBondContact O-N 3.47Å; Y38-N41 PolarHBondContact O-N 2.96Å; V39-N41 PolarHBondContact O-N 3.22Å; N41-S45 PolarHBondContact O-N 3.32Å; N41-S45 PolarHBondContact O-OG 3.5Å
42	L	93.8	Very high	92.1	Very high	46 Å²	46	69.3 Å²	69.3	24%	0.241	36%	0.363	C	S	.	.	H	α-helix	trans	-71.8	-34.3	-178.3	-174.5	56.8	0	0	0	112.5	Q17 A21 Y38 V39 C40 F46	Q17-L42 WeakPolarHBondContact CG-O 3.49Å; Q17-L42 PolarHBondContact NE2-O 3.46Å; A21-L42 HydrophobicContact CB-CB 4.11Å; A21-L42 HydrophobicContact CB-CD2 3.64Å; A21-L42 HydrophobicContact CB-CG 4Å; Y38-L42 VanDerWaalsContact O-CB 3.3Å; Y38-L42 WeakPolarHBondContact O-CB 3.31Å; Y38-L42 PolarHBondContact O-N 3.34Å; V39-L42 PolarHBondContact O-N 3.2Å; C40-L42 VanDerWaalsContact C-N 3.3Å; C40-L42 PolarHBondContact O-N 3.04Å; L42-F46 HydrophobicContact CD1-CE2 3.86Å; L42-F46 VanDerWaalsContact O-CD2 3.25Å; L42-F46 WeakPolarHBondContact O-CD2 3.44Å
43	V	93.4	Very high	92.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.8	-48.4	172.1	174.8	0	0	0	0	110.8	Q17 L18 A21 V39 C40 S45 F46 V47 I51	Q17-V43 HydrophobicContact CG-CG2 4.44Å; L18-V43 HydrophobicContact CB-CG2 4.14Å; L18-V43 HydrophobicContact CD1-CG2 4.17Å; A21-V43 HydrophobicContact CB-CG2 4.32Å; V39-V43 HydrophobicContact CG1-CG2 4.39Å; V39-V43 WeakPolarHBondContact O-CG2 3.5Å; V39-V43 PolarHBondContact O-N 3.36Å; C40-V43 PolarHBondContact O-N 2.78Å; V43-S45 PolarHBondContact O-N 3.05Å; V43-S45 VanDerWaalsContact O-N 3.13Å; V43-F46 PolarHBondContact O-N 2.91Å; V43-V47 HydrophobicContact CG1-CG2 4.18Å; V43-V47 WeakPolarHBondContact O-CG2 3.22Å; V43-V47 PolarHBondContact O-N 3.43Å; V43-I51 HydrophobicContact CG1-CD1 3.88Å
44	N	93.2	Very high	92.2	Very high	49 Å²	49	67.5 Å²	67.5	26%	0.262	37%	0.365	S	S	.	.	H	α-helix	trans	-69.5	-10.2	-179.1	-70.1	-26.4	0	0	0	114.2	C40 F46 I51	C40-N44 WeakPolarHBondContact O-CB 2.93Å; C40-N44 VanDerWaalsContact O-CG 3.3Å; C40-N44 PolarHBondContact O-N 2.97Å; C40-N44 PolarHBondContact O-ND2 3.36Å; C40-N44 PolarHBondContact SG-ND2 3.14Å; C40-N44 VanDerWaalsContact SG-ND2 3.35Å; N44-F46 VanDerWaalsContact C-N 3.33Å; N44-I51 PolarHBondContact ND2-O 2.89Å; N44-I51 PolarHBondContact OD1-N 3.19Å
45	S	91.7	Very high	92.1	Very high	76 Å²	76	62.8 Å²	62.8	53%	0.531	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.8	175.5	-65.6	0	0	0	0	113.2	N41 V43	N41-S45 PolarHBondContact O-N 3.32Å; N41-S45 PolarHBondContact O-OG 3.5Å; V43-S45 PolarHBondContact O-N 3.05Å; V43-S45 VanDerWaalsContact O-N 3.13Å
46	F	85.5	Confident	92.1	Very high	125 Å²	125	60.9 Å²	60.9	55%	0.548	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-20.9	-174.7	-62.8	-95.4	0	0	0	113.1	Q17 L42 V43 N44	Q17-F46 HydrophobicContact CG-CB 4.14Å; Q17-F46 HydrophobicContact CG-CD2 3.81Å; Q17-F46 HydrophobicContact CG-CG 4.22Å; L42-F46 HydrophobicContact CD1-CE2 3.86Å; L42-F46 VanDerWaalsContact O-CD2 3.25Å; L42-F46 WeakPolarHBondContact O-CD2 3.44Å; V43-F46 PolarHBondContact O-N 2.91Å; N44-F46 VanDerWaalsContact C-N 3.33Å
47	V	84.6	Confident	92.1	Very high	29 Å²	29	64 Å²	64	18%	0.176	35%	0.35	C	S	.	.			trans	-91.7	141.2	179.5	-173.7	0	0	0	0	109.6	V43 D49	V43-V47 HydrophobicContact CG1-CG2 4.18Å; V43-V47 WeakPolarHBondContact O-CG2 3.22Å; V43-V47 PolarHBondContact O-N 3.43Å; V47-D49 WeakPolarHBondContact CG1-O 3.35Å
48	S	81.4	Confident	92	Very high	109 Å²	109	65.7 Å²	65.7	76%	0.762	35%	0.353	S	S	*	.	S	Bend	trans	-70.3	-36.4	177.8	52.5	0	0	0	0	112.9
49	D	86	Confident	92	Very high	115 Å²	115	61 Å²	61	62%	0.615	34%	0.336	S	S	*	.	S	Bend	trans	-98.3	125.1	-177.5	-61.8	-33.7	0	0	0	110	V47 I51	V47-D49 WeakPolarHBondContact CG1-O 3.35Å; D49-I51 PolarHBondContact O-N 3.35Å
50	P	89.4	Confident	91.9	Very high	114 Å²	114	61.1 Å²	61.1	74%	0.74	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-69.7	124.1	-177.7	27.9	-33.7	0	0	0	110.7
51	I	91.8	Very high	91.9	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.026	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-92	132.1	175.1	-53.4	-177.1	0	0	0	108.7	W10 V43 N44 D49 D55 I56	W10-I51 HydrophobicContact CE3-CD1 4.09Å; W10-I51 HydrophobicContact CH2-CD1 4.04Å; W10-I51 HydrophobicContact CH2-CG2 4.05Å; W10-I51 HydrophobicContact CZ2-CG2 3.94Å; W10-I51 HydrophobicContact CZ3-CD1 3.79Å; V43-I51 HydrophobicContact CG1-CD1 3.88Å; N44-I51 PolarHBondContact ND2-O 2.89Å; N44-I51 PolarHBondContact OD1-N 3.19Å; D49-I51 PolarHBondContact O-N 3.35Å; I51-D55 HydrophobicContact CG2-CB 3.98Å; I51-I56 HydrophobicContact CG2-CD1 4.47Å; I51-I56 HydrophobicContact CG2-CG1 3.81Å
52	S	93.9	Very high	91.8	Very high	49 Å²	49	61.5 Å²	61.5	34%	0.343	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-73.7	153.7	177	79.3	0	0	0	0	111.3	D54 D55 I56	S52-D54 PolarHBondContact O-N 3.18Å; S52-D55 PolarHBondContact O-N 2.99Å; S52-D55 PolarHBondContact OG-N 3.17Å; S52-D55 PolarHBondContact OG-OD2 2.79Å; S52-I56 WeakPolarHBondContact O-CG1 3.32Å; S52-I56 PolarHBondContact O-N 3.31Å
53	T	94.7	Very high	91.7	Very high	54 Å²	54	63.3 Å²	63.3	33%	0.331	36%	0.364	S	S	.	.	H	α-helix	trans	-57.1	-34.5	173.5	46	0	0	0	0	112.2	M36 C40 I56 W57	M36-T53 HydrophobicContact CG-CG2 4.25Å; C40-T53 HydrophobicContact CB-CG2 3.84Å; T53-I56 PolarHBondContact O-N 3.24Å; T53-W57 PolarHBondContact O-N 3.34Å
54	D	94.7	Very high	91.8	Very high	101 Å²	101	68 Å²	68	54%	0.54	38%	0.383	S	S	.	.	H	α-helix	trans	-68.2	-37	-178.2	-64.8	-10.3	0	0	0	111.6	S52 W57 K58	S52-D54 PolarHBondContact O-N 3.18Å; D54-W57 PolarHBondContact O-N 3.12Å; D54-K58 VanDerWaalsContact O-CG 3.29Å; D54-K58 WeakPolarHBondContact O-CG 3.22Å; D54-K58 PolarHBondContact O-N 3.22Å
55	D	93.8	Very high	91.8	Very high	44 Å²	44	69.9 Å²	69.9	24%	0.235	39%	0.393	C	S	.	.	H	α-helix	trans	-71.8	-34.2	177.1	-59.8	-40.4	0	0	0	111.5	I51 S52 K58 K59	I51-D55 HydrophobicContact CG2-CB 3.98Å; S52-D55 PolarHBondContact O-N 2.99Å; S52-D55 PolarHBondContact OG-N 3.17Å; S52-D55 PolarHBondContact OG-OD2 2.79Å; D55-K58 PolarHBondContact O-N 3.29Å; D55-K58 IonicContact OD1-NZ 2.93Å; D55-K58 PolarHBondContact OD1-NZ 3.47Å; D55-K59 WeakPolarHBondContact O-CB 3.44Å; D55-K59 PolarHBondContact O-N 2.83Å
56	I	94.5	Very high	91.9	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-62.7	-46.2	171.1	-58.8	169.8	0	0	0	110.4	W10 L18 M36 V39 C40 I51 S52 T53 K58 K59 L60	W10-I56 HydrophobicContact CH2-CB 4.49Å; W10-I56 HydrophobicContact CH2-CG1 3.94Å; W10-I56 HydrophobicContact CZ2-CG1 4.27Å; L18-I56 HydrophobicContact CD1-CG2 3.77Å; M36-I56 HydrophobicContact CE-CG2 3.97Å; M36-I56 HydrophobicContact SD-CB 4.02Å; M36-I56 HydrophobicContact SD-CG2 3.52Å; M36-I56 VanDerWaalsContact SD-CG2 3.52Å; V39-I56 HydrophobicContact CG1-CG2 4.12Å; C40-I56 VanDerWaalsContact CA-CD1 3.45Å; C40-I56 HydrophobicContact CB-CD1 3.56Å; I51-I56 HydrophobicContact CG2-CD1 4.47Å; I51-I56 HydrophobicContact CG2-CG1 3.81Å; S52-I56 WeakPolarHBondContact O-CG1 3.32Å; S52-I56 PolarHBondContact O-N 3.31Å; T53-I56 PolarHBondContact O-N 3.24Å; I56-K58 PolarHBondContact O-N 3.46Å; I56-K59 PolarHBondContact O-N 2.89Å; I56-L60 HydrophobicContact CG2-CD1 3.96Å; I56-L60 HydrophobicContact CG2-CG 4.37Å; I56-L60 WeakPolarHBondContact O-CB 3.32Å; I56-L60 WeakPolarHBondContact O-CG 3.34Å; I56-L60 PolarHBondContact O-N 3.36Å
57	W	95.4	Very high	92.2	Very high	67 Å²	67	69.1 Å²	69.1	25%	0.254	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-45.8	175.5	-79.2	119.2	0	0	0	112.4	P27 R32 M36 T53 D54 K59 L60 G61 M66	P27-W57 HydrophobicContact CB-CH2 4.43Å; P27-W57 VanDerWaalsContact O-CH2 3.31Å; P27-W57 WeakPolarHBondContact O-CH2 3.47Å; R32-W57 HydrophobicContact CB-CH2 4.19Å; R32-W57 HydrophobicContact CG-CH2 4.3Å; M36-W57 HydrophobicContact CB-CZ2 3.69Å; M36-W57 HydrophobicContact CE-CD2 3.5Å; M36-W57 HydrophobicContact CE-CE3 3.73Å; M36-W57 HydrophobicContact CE-CG 4.14Å; M36-W57 HydrophobicContact CE-CH2 3.72Å; M36-W57 HydrophobicContact CE-CZ2 3.51Å; M36-W57 HydrophobicContact CE-CZ3 3.85Å; M36-W57 HydrophobicContact CG-CZ2 3.85Å; T53-W57 PolarHBondContact O-N 3.34Å; D54-W57 PolarHBondContact O-N 3.12Å; W57-K59 VanDerWaalsContact C-N 3.33Å; W57-K59 PolarHBondContact O-N 2.92Å; W57-L60 PolarHBondContact O-N 3.35Å; W57-G61 PolarHBondContact O-N 3.46Å; W57-M66 HydrophobicContact CE3-CE 4.09Å; W57-M66 HydrophobicContact CH2-CE 4.47Å; W57-M66 HydrophobicContact CZ3-CE 3.48Å; W57-M66 VanDerWaalsContact CZ3-CE 3.48Å
58	K	94.1	Very high	92.6	Very high	140 Å²	140	73.8 Å²	73.8	61%	0.609	40%	0.403	S	S	*	.	H	α-helix	trans	-60.1	-43.9	176.4	-71.2	170.9	-157.9	156.1	0	111.4	D54 D55 I56 G61 S62	D54-K58 VanDerWaalsContact O-CG 3.29Å; D54-K58 WeakPolarHBondContact O-CG 3.22Å; D54-K58 PolarHBondContact O-N 3.22Å; D55-K58 PolarHBondContact O-N 3.29Å; D55-K58 IonicContact OD1-NZ 2.93Å; D55-K58 PolarHBondContact OD1-NZ 3.47Å; I56-K58 PolarHBondContact O-N 3.46Å; K58-G61 PolarHBondContact O-N 3.33Å; K58-S62 PolarHBondContact O-N 3.24Å
59	K	93.6	Very high	93.1	Very high	36 Å²	36	71.9 Å²	71.9	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-63	-48	178.7	-173.2	61.4	171.5	-174.2	0	111.1	W10 E15 L18 D55 I56 W57 G61 S62 L63	W10-K59 HydrophobicContact CD2-CB 4.39Å; W10-K59 HydrophobicContact CD2-CD 4.18Å; W10-K59 HydrophobicContact CD2-CG 3.97Å; W10-K59 HydrophobicContact CE3-CG 4.45Å; W10-K59 HydrophobicContact CG-CD 4.11Å; W10-K59 HydrophobicContact CG-CG 4.44Å; W10-K59 HydrophobicContact CH2-CB 4.22Å; W10-K59 HydrophobicContact CH2-CG 4.29Å; W10-K59 HydrophobicContact CZ2-CB 3.45Å; W10-K59 VanDerWaalsContact CZ2-CB 3.45Å; W10-K59 HydrophobicContact CZ2-CG 3.83Å; E15-K59 WeakPolarHBondContact OE1-CE 3.41Å; E15-K59 IonicContact OE1-NZ 2.64Å; E15-K59 PolarHBondContact OE1-NZ 3.47Å; L18-K59 HydrophobicContact CD2-CG 3.96Å; D55-K59 WeakPolarHBondContact O-CB 3.44Å; D55-K59 PolarHBondContact O-N 2.83Å; I56-K59 PolarHBondContact O-N 2.89Å; W57-K59 VanDerWaalsContact C-N 3.33Å; W57-K59 PolarHBondContact O-N 2.92Å; K59-G61 VanDerWaalsContact C-N 3.35Å; K59-G61 PolarHBondContact O-N 3.44Å; K59-S62 PolarHBondContact O-N 2.98Å; K59-S62 VanDerWaalsContact O-N 3.13Å; K59-S62 PolarHBondContact O-OG 3.41Å; K59-L63 HydrophobicContact CG-CD1 4.33Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.23Å
60	L	95	Very high	93.3	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-41.8	176.5	-70.3	172.4	0	0	0	112.1	L18 I22 P27 M36 I56 W57 S62 L63 Y64 M66	L18-L60 HydrophobicContact CD1-CD2 4.44Å; L18-L60 HydrophobicContact CD2-CD2 4.33Å; I22-L60 HydrophobicContact CD1-CD2 4.45Å; I22-L60 HydrophobicContact CG2-CD2 4.12Å; P27-L60 HydrophobicContact CB-CD1 4Å; P27-L60 HydrophobicContact CG-CD1 3.76Å; M36-L60 HydrophobicContact CE-CD1 3.57Å; I56-L60 HydrophobicContact CG2-CD1 3.96Å; I56-L60 HydrophobicContact CG2-CG 4.37Å; I56-L60 WeakPolarHBondContact O-CB 3.32Å; I56-L60 WeakPolarHBondContact O-CG 3.34Å; I56-L60 PolarHBondContact O-N 3.36Å; W57-L60 PolarHBondContact O-N 3.35Å; L60-S62 PolarHBondContact O-N 3.41Å; L60-L63 PolarHBondContact O-N 3.1Å; L60-L63 VanDerWaalsContact O-N 3.1Å; L60-Y64 HydrophobicContact CD2-CD2 4.09Å; L60-Y64 HydrophobicContact CD2-CE2 4.2Å; L60-Y64 PolarHBondContact O-N 2.84Å; L60-M66 HydrophobicContact CB-CE 4.37Å; L60-M66 HydrophobicContact CB-CG 4.49Å; L60-M66 HydrophobicContact CB-SD 3.99Å; L60-M66 HydrophobicContact CD1-CE 4.4Å
61	G	94	Very high	93.3	Very high	47 Å²	47	70.3 Å²	70.3	49%	0.485	37%	0.367	S	S	.	.	H	α-helix	trans	-65.2	-23.4	175.5	0	0	0	0	0	114.2	W57 K58 K59	W57-G61 PolarHBondContact O-N 3.46Å; K58-G61 PolarHBondContact O-N 3.33Å; K59-G61 VanDerWaalsContact C-N 3.35Å; K59-G61 PolarHBondContact O-N 3.44Å
62	S	92.8	Very high	93.1	Very high	85 Å²	85	73.8 Å²	73.8	59%	0.594	39%	0.392	S	S	*	.	H	α-helix	trans	-79.1	-24.8	172.3	76.6	0	0	0	0	113.6	K58 K59 L60	K58-S62 PolarHBondContact O-N 3.24Å; K59-S62 PolarHBondContact O-N 2.98Å; K59-S62 VanDerWaalsContact O-N 3.13Å; K59-S62 PolarHBondContact O-OG 3.41Å; L60-S62 PolarHBondContact O-N 3.41Å
63	L	92.7	Very high	92.8	Very high	83 Å²	83	73.6 Å²	73.6	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-99.2	-33.8	-176.1	-64.6	176.9	0	0	0	113	F19 K59 L60	F19-L63 HydrophobicContact CE1-CD1 3.99Å; F19-L63 HydrophobicContact CZ-CD1 4.1Å; K59-L63 HydrophobicContact CG-CD1 4.33Å; K59-L63 WeakPolarHBondContact O-CG 3.48Å; K59-L63 PolarHBondContact O-N 3.23Å; L60-L63 PolarHBondContact O-N 3.1Å; L60-L63 VanDerWaalsContact O-N 3.1Å
64	Y	94.2	Very high	92.1	Very high	99 Å²	99	76.8 Å²	76.8	39%	0.388	40%	0.404	S	S	.	.	S	Bend	trans	-131.3	146.9	-172.5	-60.6	-77.5	0	0	0	111.1	I22 L60 M66 L69	I22-Y64 HydrophobicContact CD1-CE2 4.12Å; L60-Y64 HydrophobicContact CD2-CD2 4.09Å; L60-Y64 HydrophobicContact CD2-CE2 4.2Å; L60-Y64 PolarHBondContact O-N 2.84Å; Y64-M66 PolarHBondContact O-N 3.11Å; Y64-L69 HydrophobicContact CD1-CD1 4.34Å; Y64-L69 HydrophobicContact CG-CD1 4.26Å
65	N	94.2	Very high	91	Very high	88 Å²	88	75 Å²	75	47%	0.471	40%	0.395	S	S	.	.			trans	-75.7	89.8	166	-172.6	1.3	0	0	0	109.8	E67 E68 L69	N65-E67 VanDerWaalsContact C-N 3.27Å; N65-E67 PolarHBondContact O-N 3.45Å; N65-E68 HydrophobicContact CB-CB 4.16Å; N65-E68 VanDerWaalsContact ND2-CB 3.32Å; N65-E68 WeakPolarHBondContact ND2-CB 3.43Å; N65-E68 PolarHBondContact ND2-OE2 3.03Å; N65-E68 PolarHBondContact O-N 2.91Å; N65-L69 WeakPolarHBondContact O-CG 3.48Å; N65-L69 PolarHBondContact O-N 3.24Å; N65-L69 VanDerWaalsContact O-N 3.14Å
66	M	93	Very high	90.1	Very high	31 Å²	31	78 Å²	78	15%	0.153	42%	0.416	C	S	.	.	H	α-helix	trans	-64.9	-28.9	-174.3	-66.2	-58.5	-72	0	0	113.4	P27 V28 W57 L60 Y64 L69 H70	P27-M66 HydrophobicContact CB-CE 4.26Å; P27-M66 HydrophobicContact CG-CE 4.07Å; P27-M66 WeakPolarHBondContact O-CE 3.25Å; V28-M66 HydrophobicContact CG1-CE 3.66Å; V28-M66 HydrophobicContact CG1-SD 4.47Å; W57-M66 HydrophobicContact CE3-CE 4.09Å; W57-M66 HydrophobicContact CH2-CE 4.47Å; W57-M66 HydrophobicContact CZ3-CE 3.48Å; W57-M66 VanDerWaalsContact CZ3-CE 3.48Å; L60-M66 HydrophobicContact CB-CE 4.37Å; L60-M66 HydrophobicContact CB-CG 4.49Å; L60-M66 HydrophobicContact CB-SD 3.99Å; L60-M66 HydrophobicContact CD1-CE 4.4Å; Y64-M66 PolarHBondContact O-N 3.11Å; M66-L69 HydrophobicContact SD-CD1 4.31Å; M66-H70 WeakPolarHBondContact O-CB 3.3Å; M66-H70 PolarHBondContact O-N 2.94Å
67	E	92.2	Very high	89	Confident	155 Å²	155	85.6 Å²	85.6	72%	0.724	45%	0.45	S	S	*	.	H	α-helix	trans	-68.8	-47.9	178.2	-65	-174.1	167.3	0	0	111	N65 L69 H70 D71	N65-E67 VanDerWaalsContact C-N 3.27Å; N65-E67 PolarHBondContact O-N 3.45Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 2.89Å; E67-H70 WeakPolarHBondContact O-CB 3.45Å; E67-H70 PolarHBondContact O-N 3.17Å; E67-H70 VanDerWaalsContact O-N 3.11Å; E67-D71 PolarHBondContact O-N 3.35Å
68	E	93	Very high	87.6	Confident	126 Å²	126	89.6 Å²	89.6	59%	0.589	47%	0.471	S	S	*	.	H	α-helix	trans	-64.4	-37.1	177.6	-178.5	175	-174	0	0	112.5	N65 H70 D71 S72	N65-E68 HydrophobicContact CB-CB 4.16Å; N65-E68 VanDerWaalsContact ND2-CB 3.32Å; N65-E68 WeakPolarHBondContact ND2-CB 3.43Å; N65-E68 PolarHBondContact ND2-OE2 3.03Å; N65-E68 PolarHBondContact O-N 2.91Å; E68-H70 VanDerWaalsContact C-N 3.33Å; E68-D71 PolarHBondContact O-N 3.13Å; E68-S72 VanDerWaalsContact O-CB 3.32Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 3.06Å; E68-S72 PolarHBondContact O-OG 3.12Å
69	L	92.5	Very high	86.5	Confident	70 Å²	70	87.9 Å²	87.9	37%	0.366	48%	0.477	S	S	.	.	H	α-helix	trans	-67.5	-33.9	173.7	-70.4	177	0	0	0	112.5	V28 Y64 N65 M66 E67 S72	V28-L69 HydrophobicContact CB-CB 4.42Å; V28-L69 HydrophobicContact CG1-CB 3.73Å; V28-L69 HydrophobicContact CG2-CB 4.29Å; Y64-L69 HydrophobicContact CD1-CD1 4.34Å; Y64-L69 HydrophobicContact CG-CD1 4.26Å; N65-L69 WeakPolarHBondContact O-CG 3.48Å; N65-L69 PolarHBondContact O-N 3.24Å; N65-L69 VanDerWaalsContact O-N 3.14Å; M66-L69 HydrophobicContact SD-CD1 4.31Å; E67-L69 VanDerWaalsContact C-N 3.33Å; E67-L69 PolarHBondContact O-N 2.89Å; L69-S72 WeakPolarHBondContact CA-OG 3.35Å; L69-S72 PolarHBondContact O-OG 3.37Å
70	H	90.5	Very high	85.8	Confident	64 Å²	64	94.3 Å²	94.3	30%	0.296	51%	0.505	S	S	.	.	H	α-helix	trans	-67.4	-42.8	175.1	-180	58.5	0	0	0	111.8	G29 R32 M66 E67 E68 E73	G29-H70 PolarHBondContact N-ND1 2.71Å; G29-H70 PolarHBondContact O-CE1 2.87Å; G29-H70 VanDerWaalsContact O-CE1 3.24Å; G29-H70 PolarHBondContact O-ND1 3.01Å; R32-H70 PolarHBondContact NH1-CE1 3.24Å; R32-H70 PolarHBondContact NH1-NE2 3Å; R32-H70 VanDerWaalsContact NH1-NE2 3.18Å; M66-H70 WeakPolarHBondContact O-CB 3.3Å; M66-H70 PolarHBondContact O-N 2.94Å; E67-H70 WeakPolarHBondContact O-CB 3.45Å; E67-H70 PolarHBondContact O-N 3.17Å; E67-H70 VanDerWaalsContact O-N 3.11Å; E68-H70 VanDerWaalsContact C-N 3.33Å; H70-E73 WeakPolarHBondContact O-CB 3.38Å; H70-E73 PolarHBondContact O-N 3.02Å
71	D	88.3	Confident	85.2	Confident	132 Å²	132	103.9 Å²	103.9	71%	0.706	55%	0.552	S	S	*	*	H	α-helix	trans	-75.4	-32.1	-177.4	-70.5	-14.2	0	0	0	113	E67 E68 E73	E67-D71 PolarHBondContact O-N 3.35Å; E68-D71 PolarHBondContact O-N 3.13Å; D71-E73 PolarHBondContact O-N 3.21Å
72	S	88.7	Confident	84.8	Confident	78 Å²	78	110.1 Å²	110.1	55%	0.545	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.7	-7.2	176.8	58.1	0	0	0	0	113.8	E68 L69 V74	E68-S72 VanDerWaalsContact O-CB 3.32Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 3.06Å; E68-S72 PolarHBondContact O-OG 3.12Å; L69-S72 WeakPolarHBondContact CA-OG 3.35Å; L69-S72 PolarHBondContact O-OG 3.37Å; S72-V74 PolarHBondContact O-N 2.98Å
73	E	86.9	Confident	84.7	Confident	44 Å²	44	114.2 Å²	114.2	21%	0.206	58%	0.576	C	S	.	*			trans	-71.1	114.8	-179.6	178	148.8	-163	0	0	112.6	K26 V28 G29 H70 D71 N75	K26-E73 VanDerWaalsContact CE-CD 3.45Å; K26-E73 WeakPolarHBondContact CE-OE1 3.29Å; K26-E73 VanDerWaalsContact CE-OE2 3.23Å; K26-E73 WeakPolarHBondContact CE-OE2 3.42Å; K26-E73 IonicContact NZ-OE1 2.78Å; K26-E73 PolarHBondContact NZ-OE1 3.19Å; K26-E73 IonicContact NZ-OE2 3.04Å; K26-E73 PolarHBondContact NZ-OE2 3.13Å; V28-E73 VanDerWaalsContact CG2-OE2 3.31Å; V28-E73 WeakPolarHBondContact CG2-OE2 3.37Å; G29-E73 WeakPolarHBondContact CA-OE2 3.5Å; G29-E73 PolarHBondContact N-OE2 2.98Å; H70-E73 WeakPolarHBondContact O-CB 3.38Å; H70-E73 PolarHBondContact O-N 3.02Å; D71-E73 PolarHBondContact O-N 3.21Å; E73-N75 PolarHBondContact O-N 2.75Å; E73-N75 VanDerWaalsContact O-N 3.1Å
74	V	79.4	Confident	84.6	Confident	121 Å²	121	117.7 Å²	117.7	73%	0.733	59%	0.588	S	S	*	*			trans	-75.4	101.6	170.1	-174.9	0	0	0	0	109	S72 P76	S72-V74 PolarHBondContact O-N 2.98Å; V74-P76 WeakPolarHBondContact O-CD 3.28Å
75	N	72.9	Confident	84.5	Confident	64 Å²	64	117 Å²	117	34%	0.342	60%	0.597	S	S	.	*			trans	-67.9	116.7	168.8	-177.7	-0.2	0	0	0	109.5	E73 F77	E73-N75 PolarHBondContact O-N 2.75Å; E73-N75 VanDerWaalsContact O-N 3.1Å; N75-F77 PolarHBondContact ND2-O 3.33Å; N75-F77 PolarHBondContact O-N 2.79Å; N75-F77 WeakPolarHBondContact OD1-CB 3.37Å; N75-F77 VanDerWaalsContact OD1-CD2 3.28Å; N75-F77 WeakPolarHBondContact OD1-CD2 3.21Å; N75-F77 PolarHBondContact OD1-N 3.04Å
76	P	73.6	Confident	84.2	Confident	106 Å²	106	115.9 Å²	115.9	69%	0.688	59%	0.591	S	S	*	*	S	Bend	trans	-64.5	-24.1	178.6	27.7	-35.3	0	0	0	112	V74 Q78	V74-P76 WeakPolarHBondContact O-CD 3.28Å; P76-Q78 VanDerWaalsContact C-N 3.29Å; P76-Q78 PolarHBondContact O-N 2.94Å
77	F	71.2	Confident	84.2	Confident	160 Å²	160	117.2 Å²	117.2	70%	0.702	60%	0.602	S	S	*	*			trans	-81	81.5	170.2	-48.5	-68.6	0	0	0	108.5	N75 S79	N75-F77 PolarHBondContact ND2-O 3.33Å; N75-F77 PolarHBondContact O-N 2.79Å; N75-F77 WeakPolarHBondContact OD1-CB 3.37Å; N75-F77 VanDerWaalsContact OD1-CD2 3.28Å; N75-F77 WeakPolarHBondContact OD1-CD2 3.21Å; N75-F77 PolarHBondContact OD1-N 3.04Å; F77-S79 PolarHBondContact O-N 3.31Å
78	Q	66.8	Low	84.2	Confident	151 Å²	151	117.8 Å²	117.8	71%	0.706	61%	0.605	S	S	*	*			trans	-66.3	78.9	163.1	-65.5	-175.6	-6.6	0	0	108.2	P76 K80	P76-Q78 VanDerWaalsContact C-N 3.29Å; P76-Q78 PolarHBondContact O-N 2.94Å; Q78-K80 PolarHBondContact O-N 2.76Å
79	S	71.7	Confident	84.2	Confident	105 Å²	105	118.2 Å²	118.2	73%	0.734	61%	0.607	S	S	*	*			trans	-67.9	82.3	169.8	48.3	0	0	0	0	107.9	F77 M81	F77-S79 PolarHBondContact O-N 3.31Å; S79-M81 PolarHBondContact O-N 3.06Å
80	K	78.1	Confident	84.1	Confident	170 Å²	170	119.3 Å²	119.3	74%	0.739	61%	0.607	S	S	*	*			trans	-59	127.9	166.3	-64.9	-177.8	-177.4	179.1	0	106.7	Q78 K82	Q78-K80 PolarHBondContact O-N 2.76Å; K80-K82 PolarHBondContact O-N 3.25Å
81	M	81.9	Confident	84.1	Confident	202 Å²	202	119.9 Å²	119.9	100%	0.995	61%	0.612	S	S	*	*			trans	-55.9	119.7	171.6	-60.9	-176.5	-158	0	0	107.5	S79	S79-M81 PolarHBondContact O-N 3.06Å
82	K	85.4	Confident	84	Confident	179 Å²	179	117.4 Å²	117.4	78%	0.778	61%	0.605	S	S	*	*			trans	-129.1	136	177.1	-174.1	-178.4	175.7	-177.1	0	106.9	K80 F84	K80-K82 PolarHBondContact O-N 3.25Å; K82-F84 PolarHBondContact O-N 3.28Å
83	E	91.2	Very high	83.9	Confident	170 Å²	170	118 Å²	118	79%	0.794	60%	0.601	S	S	*	*			trans	-54.8	129.3	171.8	-170.1	59.2	-146	0	0	109.2	S85	E83-S85 PolarHBondContact O-N 3.4Å
84	F	91.1	Very high	83.8	Confident	156 Å²	156	120.5 Å²	120.5	68%	0.684	61%	0.612	S	S	*	*			trans	-72.2	118.2	179.5	172.1	-95.4	0	0	0	109.3	K82 L86	K82-F84 PolarHBondContact O-N 3.28Å; F84-L86 HydrophobicContact CE1-CB 4.08Å; F84-L86 HydrophobicContact CE1-CD1 4.37Å; F84-L86 HydrophobicContact CZ-CB 4.17Å; F84-L86 HydrophobicContact CZ-CD1 3.77Å
85	S	91.1	Very high	84.1	Confident	85 Å²	85	119.4 Å²	119.4	59%	0.594	61%	0.61	S	S	*	*			trans	-113.9	121.1	167	60.8	0	0	0	0	108.4	E83 P87	E83-S85 PolarHBondContact O-N 3.4Å; S85-P87 WeakPolarHBondContact O-CD 3.39Å
86	L	89.2	Confident	84.6	Confident	64 Å²	64	120.4 Å²	120.4	34%	0.335	62%	0.615	S	S	.	*			trans	-63.9	125.7	175.6	-172.2	72.4	0	0	0	109.2	F84 Y90 K94	F84-L86 HydrophobicContact CE1-CB 4.08Å; F84-L86 HydrophobicContact CE1-CD1 4.37Å; F84-L86 HydrophobicContact CZ-CB 4.17Å; F84-L86 HydrophobicContact CZ-CD1 3.77Å; L86-Y90 HydrophobicContact CD1-CD2 3.77Å; L86-Y90 HydrophobicContact CD1-CE2 4.48Å; L86-Y90 HydrophobicContact CD1-CG 4.11Å; L86-Y90 VanDerWaalsContact CD2-CB 3.48Å; L86-Y90 HydrophobicContact CD2-CD2 4.48Å; L86-Y90 HydrophobicContact CD2-CG 4.25Å; L86-Y90 HydrophobicContact CG-CD2 3.9Å; L86-Y90 HydrophobicContact CG-CG 4.17Å; L86-K94 HydrophobicContact CD2-CD 4.11Å; L86-K94 HydrophobicContact CD2-CG 3.87Å
87	P	93.4	Very high	85.2	Confident	59 Å²	59	124.6 Å²	124.6	38%	0.383	62%	0.622	S	S	.	*			trans	-54.9	147.5	177.6	-26.8	35.5	0	0	0	112.9	S85 E89 Y90	S85-P87 WeakPolarHBondContact O-CD 3.39Å; P87-E89 HydrophobicContact CB-CG 4.03Å; P87-E89 PolarHBondContact O-N 3.28Å; P87-E89 VanDerWaalsContact O-N 3.15Å; P87-Y90 HydrophobicContact CB-CD2 3.94Å; P87-Y90 HydrophobicContact CB-CE2 3.97Å; P87-Y90 HydrophobicContact CG-CD2 4.2Å; P87-Y90 HydrophobicContact CG-CE2 3.97Å; P87-Y90 WeakPolarHBondContact O-CD2 3.36Å; P87-Y90 PolarHBondContact O-N 3.09Å; P87-Y90 VanDerWaalsContact O-N 3.13Å
88	E	92.3	Very high	85.7	Confident	167 Å²	167	125.1 Å²	125.1	78%	0.78	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-59.5	-26.6	-176	-64	-179	178.6	0	0	112.9	Y90 D91	E88-Y90 PolarHBondContact O-N 3.29Å; E88-D91 WeakPolarHBondContact O-CB 3.45Å; E88-D91 PolarHBondContact O-N 2.86Å
89	E	92.8	Very high	86.5	Confident	136 Å²	136	122.9 Å²	122.9	64%	0.636	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-56.7	-23.3	176.8	70	-161.3	-147.6	0	0	113.5	P87	P87-E89 HydrophobicContact CB-CG 4.03Å; P87-E89 PolarHBondContact O-N 3.28Å; P87-E89 VanDerWaalsContact O-N 3.15Å
90	Y	90.7	Very high	86.4	Confident	93 Å²	93	122.2 Å²	122.2	37%	0.365	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-94	2.3	179.3	-57.4	-73.5	0	0	0	114.1	L86 P87 E88 S92 L93 K94	L86-Y90 HydrophobicContact CD1-CD2 3.77Å; L86-Y90 HydrophobicContact CD1-CE2 4.48Å; L86-Y90 HydrophobicContact CD1-CG 4.11Å; L86-Y90 VanDerWaalsContact CD2-CB 3.48Å; L86-Y90 HydrophobicContact CD2-CD2 4.48Å; L86-Y90 HydrophobicContact CD2-CG 4.25Å; L86-Y90 HydrophobicContact CG-CD2 3.9Å; L86-Y90 HydrophobicContact CG-CG 4.17Å; P87-Y90 HydrophobicContact CB-CD2 3.94Å; P87-Y90 HydrophobicContact CB-CE2 3.97Å; P87-Y90 HydrophobicContact CG-CD2 4.2Å; P87-Y90 HydrophobicContact CG-CE2 3.97Å; P87-Y90 WeakPolarHBondContact O-CD2 3.36Å; P87-Y90 PolarHBondContact O-N 3.09Å; P87-Y90 VanDerWaalsContact O-N 3.13Å; E88-Y90 PolarHBondContact O-N 3.29Å; Y90-S92 VanDerWaalsContact C-N 3.27Å; Y90-S92 PolarHBondContact O-N 2.82Å; Y90-L93 HydrophobicContact CD1-CD1 4.05Å; Y90-L93 WeakPolarHBondContact O-CB 3.44Å; Y90-L93 PolarHBondContact O-N 2.86Å; Y90-K94 PolarHBondContact O-N 2.86Å
91	D	89.4	Confident	86	Confident	76 Å²	76	118.9 Å²	118.9	41%	0.406	59%	0.594	S	S	.	*	H	α-helix	trans	-64.6	-33.4	-178.5	-72.9	-19.3	0	0	0	112.4	E88 L93 K94 S95	E88-D91 WeakPolarHBondContact O-CB 3.45Å; E88-D91 PolarHBondContact O-N 2.86Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 3.03Å; D91-K94 WeakPolarHBondContact O-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.14Å; D91-K94 VanDerWaalsContact O-N 3.16Å; D91-K94 IonicContact OD1-NZ 2.68Å; D91-K94 PolarHBondContact OD1-NZ 3.03Å; D91-S95 PolarHBondContact O-N 3.15Å
92	S	87	Confident	85.2	Confident	80 Å²	80	114.3 Å²	114.3	56%	0.559	58%	0.577	S	S	*	*	H	α-helix	trans	-57	-44.7	170.4	61.7	0	0	0	0	111.4	Y90 S95	Y90-S92 VanDerWaalsContact C-N 3.27Å; Y90-S92 PolarHBondContact O-N 2.82Å; S92-S95 PolarHBondContact O-N 3.13Å; S92-S95 PolarHBondContact O-OG 3.35Å
93	L	85.3	Confident	84.2	Confident	89 Å²	89	111.3 Å²	111.3	47%	0.466	58%	0.579	S	S	.	*	H	α-helix	trans	-67.4	-38.8	175.7	-67	-177.7	0	0	0	111.8	Y90 D91 S95 L96 R100	Y90-L93 HydrophobicContact CD1-CD1 4.05Å; Y90-L93 WeakPolarHBondContact O-CB 3.44Å; Y90-L93 PolarHBondContact O-N 2.86Å; D91-L93 VanDerWaalsContact C-N 3.31Å; D91-L93 PolarHBondContact O-N 3.03Å; L93-S95 VanDerWaalsContact C-N 3.26Å; L93-S95 PolarHBondContact O-N 3.05Å; L93-L96 HydrophobicContact CD2-CD1 3.87Å; L93-L96 WeakPolarHBondContact O-CB 3.47Å; L93-L96 PolarHBondContact O-N 3.39Å; L93-R100 PolarHBondContact O-NH1 3.36Å
94	K	84.4	Confident	82.8	Confident	97 Å²	97	110.3 Å²	110.3	42%	0.422	58%	0.579	S	S	.	*	H	α-helix	trans	-60	-34.2	176.1	-71	-170	-177.2	113.2	0	112.6	L86 Y90 D91 L96 R100	L86-K94 HydrophobicContact CD2-CD 4.11Å; L86-K94 HydrophobicContact CD2-CG 3.87Å; Y90-K94 PolarHBondContact O-N 2.86Å; D91-K94 WeakPolarHBondContact O-CB 3.44Å; D91-K94 PolarHBondContact O-N 3.14Å; D91-K94 VanDerWaalsContact O-N 3.16Å; D91-K94 IonicContact OD1-NZ 2.68Å; D91-K94 PolarHBondContact OD1-NZ 3.03Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L96 PolarHBondContact O-N 2.68Å; K94-R100 VanDerWaalsContact CA-NH1 3.32Å; K94-R100 PolarHBondContact O-NH1 2.98Å; K94-R100 PolarHBondContact O-NH2 3.39Å
95	S	86.2	Confident	81.2	Confident	99 Å²	99	106.5 Å²	106.5	69%	0.692	57%	0.572	S	S	*	*	H	α-helix	trans	-73.9	-18.8	-179.3	75.4	0	0	0	0	114.2	D91 S92 L93	D91-S95 PolarHBondContact O-N 3.15Å; S92-S95 PolarHBondContact O-N 3.13Å; S92-S95 PolarHBondContact O-OG 3.35Å; L93-S95 VanDerWaalsContact C-N 3.26Å; L93-S95 PolarHBondContact O-N 3.05Å
96	L	84.2	Confident	79.5	Confident	85 Å²	85	105.9 Å²	105.9	45%	0.445	58%	0.579	S	S	.	*	S	Bend	trans	-66	139.2	178.7	-63.9	172.7	0	0	0	111.7	L93 K94 R100	L93-L96 HydrophobicContact CD2-CD1 3.87Å; L93-L96 WeakPolarHBondContact O-CB 3.47Å; L93-L96 PolarHBondContact O-N 3.39Å; K94-L96 VanDerWaalsContact C-N 3.32Å; K94-L96 PolarHBondContact O-N 2.68Å; L96-R100 HydrophobicContact CB-CG 4.41Å; L96-R100 PolarHBondContact O-NH1 3.46Å
97	K	85.1	Confident	78.1	Confident	193 Å²	193	109.7 Å²	109.7	84%	0.839	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-68.8	134.4	172.3	-168.1	176.5	179.4	-179.6	0	109.4
98	Y	81.7	Confident	76	Confident	171 Å²	171	111.7 Å²	111.7	67%	0.671	61%	0.613	S	S	*	*	S	Bend	trans	-59.6	142.6	170.5	-74.8	-85.1	0	0	0	110.5	R100	Y98-R100 HydrophobicContact CD1-CG 4.12Å; Y98-R100 HydrophobicContact CE1-CG 4.21Å; Y98-R100 VanDerWaalsContact CZ-NE 3.32Å; Y98-R100 PolarHBondContact OH-NE 3.34Å; Y98-R100 PolarHBondContact OH-NH2 3.02Å
99	P	84	Confident	74.3	Confident	104 Å²	104	108.8 Å²	108.8	68%	0.675	61%	0.607	S	S	*	*	P	Polyproline II helix	cis	-80.6	134.7	1.9	31.2	-32.9	0	0	0	113.1	V101	P99-V101 PolarHBondContact O-N 3.48Å
100	R	70.4	Confident	72.2	Confident	92 Å²	92	107.2 Å²	107.2	35%	0.347	61%	0.611	S	S	.	*	S	Bend	trans	-78.1	-4	179.8	-55.6	-176.8	-154.8	-88.4	2.9	113.7	L93 K94 L96 Y98	L93-R100 PolarHBondContact O-NH1 3.36Å; K94-R100 VanDerWaalsContact CA-NH1 3.32Å; K94-R100 PolarHBondContact O-NH1 2.98Å; K94-R100 PolarHBondContact O-NH2 3.39Å; L96-R100 HydrophobicContact CB-CG 4.41Å; L96-R100 PolarHBondContact O-NH1 3.46Å; Y98-R100 HydrophobicContact CD1-CG 4.12Å; Y98-R100 HydrophobicContact CE1-CG 4.21Å; Y98-R100 VanDerWaalsContact CZ-NE 3.32Å; Y98-R100 PolarHBondContact OH-NE 3.34Å; Y98-R100 PolarHBondContact OH-NH2 3.02Å
101	V	69	Low	70.3	Confident	100 Å²	100	113.5 Å²	113.5	61%	0.606	63%	0.634	S	S	*	*	S	Bend	trans	-128.4	116.1	174.5	-176.1	0	0	0	0	106.6	P99	P99-V101 PolarHBondContact O-N 3.48Å
102	T	66	Low	68.4	Low	105 Å²	105	114.4 Å²	114.4	64%	0.644	65%	0.646	S	S	*	*			trans	-73.9	136.9	165.2	55.9	0	0	0	0	107	N104	T102-N104 PolarHBondContact O-N 2.73Å
103	S	63.5	Low	66.7	Low	117 Å²	117	115.6 Å²	115.6	82%	0.818	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	18.6	-176.8	45.7	0	0	0	0	115.4
104	N	61.6	Low	64.9	Low	149 Å²	149	123.4 Å²	123.4	80%	0.797	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-4.5	-177.3	-75.8	42.8	0	0	0	113.7	T102	T102-N104 PolarHBondContact O-N 2.73Å
105	S	58.2	Low	63.2	Low	76 Å²	76	124.6 Å²	124.6	53%	0.531	69%	0.691	S	S	.	*	S	Bend	trans	-87.5	104.6	161.5	52.5	0	0	0	0	108.6	I107	S105-I107 PolarHBondContact O-N 2.61Å
106	G	54.8	Low	61.1	Low	71 Å²	71	127.9 Å²	127.9	73%	0.732	70%	0.7	S	S	*	*			trans	-66	56.3	-169.7	0	0	0	0	0	116.8	S108	G106-S108 PolarHBondContact O-N 3.16Å; G106-S108 VanDerWaalsContact O-N 3.14Å
107	I	59.5	Low	59.5	Low	144 Å²	144	129.1 Å²	129.1	74%	0.738	72%	0.717	S	S	*	*			trans	-85.2	74.5	161	-50.7	179.2	0	0	0	107.2	S105 V109	S105-I107 PolarHBondContact O-N 2.61Å; I107-V109 HydrophobicContact CG2-CG2 3.94Å; I107-V109 PolarHBondContact O-N 2.95Å
108	S	50.5	Low	57.2	Low	101 Å²	101	125.6 Å²	125.6	71%	0.706	72%	0.715	S	S	*	*			trans	-65.9	86.4	169.4	-38.1	0	0	0	0	108.1	G106 S110	G106-S108 PolarHBondContact O-N 3.16Å; G106-S108 VanDerWaalsContact O-N 3.14Å; S108-S110 PolarHBondContact O-N 3.28Å
109	V	56	Low	55.9	Low	107 Å²	107	122.5 Å²	122.5	65%	0.648	72%	0.718	S	S	*	*			trans	-74.1	70.6	161.5	-171.9	0	0	0	0	106.5	I107 R111	I107-V109 HydrophobicContact CG2-CG2 3.94Å; I107-V109 PolarHBondContact O-N 2.95Å; V109-R111 PolarHBondContact O-N 2.73Å
110	S	48.8	Very low	54.5	Low	102 Å²	102	125.5 Å²	125.5	71%	0.713	72%	0.723	S	S	*	*			trans	-69.6	89.7	168.6	61.2	0	0	0	0	107.1	S108 S112	S108-S110 PolarHBondContact O-N 3.28Å; S110-S112 PolarHBondContact O-N 3.42Å
111	R	49.8	Very low	53.4	Low	226 Å²	226	129.5 Å²	129.5	85%	0.853	74%	0.743	S	S	*	*			trans	-69.1	79.4	167.7	-148.5	179	-71.2	-174.9	-2.2	106.2	V109	V109-R111 PolarHBondContact O-N 2.73Å
112	S	51.4	Low	52.6	Low	95 Å²	95	135.3 Å²	135.3	66%	0.664	75%	0.754	S	S	*	*			trans	-65.6	129.3	178.8	-166.8	0	0	0	0	109	S110 R114	S110-S112 PolarHBondContact O-N 3.42Å; S112-R114 PolarHBondContact O-N 2.83Å
113	P	51.3	Low	52.1	Low	105 Å²	105	136.9 Å²	136.9	68%	0.682	76%	0.764	S	S	*	*			trans	-64.4	124.1	175	-10.5	24.9	0	0	0	108.8	T115	P113-T115 PolarHBondContact O-N 2.72Å; P113-T115 VanDerWaalsContact O-N 3.09Å
114	R	45.8	Very low	51.3	Low	252 Å²	252	143.1 Å²	143.1	95%	0.951	77%	0.769	S	S	*	*			trans	-68.1	104.5	168.5	-70	-178.7	168.9	-142.2	-1.1	107.9	S112	S112-R114 PolarHBondContact O-N 2.83Å
115	T	49.7	Very low	51.1	Low	123 Å²	123	145.7 Å²	145.7	76%	0.755	77%	0.773	S	S	*	*			trans	-94.4	115.1	161.9	53.8	0	0	0	0	108.3	P113 S117	P113-T115 PolarHBondContact O-N 2.72Å; P113-T115 VanDerWaalsContact O-N 3.09Å; T115-S117 PolarHBondContact O-N 2.72Å
116	D	41.1	Very low	50.7	Low	167 Å²	167	147.1 Å²	147.1	89%	0.893	78%	0.783	S	S	*	*			trans	-55.2	122.4	163.6	-92.2	-43.9	0	0	0	110.2
117	S	52.2	Low	50.9	Low	112 Å²	112	152.3 Å²	152.3	78%	0.783	79%	0.793	S	S	*	*			trans	-174.5	125.2	143.4	34.7	0	0	0	0	112.1	T115	T115-S117 PolarHBondContact O-N 2.72Å
118	C	36.2	Very low	50.3	Low	119 Å²	119	156.6 Å²	156.6	80%	0.804	80%	0.8	S	S	*	*			trans	-58.7	132.8	171.6	178.7	0	0	0	0	112.7
119	S	54.8	Low	50	Low	106 Å²	106	156.8 Å²	156.8	74%	0.741	80%	0.802	S	S	*	*			trans	165.5	103.7	132.9	-75.7	0	0	0	0	114.4
120	Q	54.1	Low	50.3	Low	166 Å²	166	158 Å²	158	78%	0.776	81%	0.809	S	S	*	*			trans	34.1	114.3	133.1	-52.7	-167.7	-16.3	0	0	121.5
121	K	48.4	Very low	49.9	Very low	176 Å²	176	160.6 Å²	160.6	77%	0.765	82%	0.815	S	S	*	*				151.6	117.4	112.3	-88.7	164.3	-175.8	175.9	0	114.5
122	R	51.4	Low	50.3	Low	223 Å²	223	155.3 Å²	155.3	84%	0.842	81%	0.813	S	S	*	*			trans	46	122.8	133.9	-45.9	176.7	85.8	173.4	5	117.5
123	T	54.4	Low	49.8	Very low	137 Å²	137	158.3 Å²	158.3	84%	0.84	82%	0.821	S	S	*	*				-179.5	151.7	69.6	44.1	0	0	0	0	110.3
124	R	46.6	Very low	49.9	Very low	248 Å²	248	159.7 Å²	159.7	94%	0.936	83%	0.828	S	S	*	*			trans	-94.7	144.4	-178.7	-64.6	168.3	87.5	152.5	2.5	112
125	K	58.6	Low	49.9	Very low	204 Å²	204	153.1 Å²	153.1	89%	0.887	82%	0.816	S	S	*	*			trans	-156.2	99.3	155.5	-109.6	165.3	-179.6	174.9	0	106.9
126	S	48.7	Very low	49.8	Very low	105 Å²	105	154.8 Å²	154.8	73%	0.734	82%	0.819	S	S	*	*				55.1	97.7	78.7	-175.2	0	0	0	0	114.1
127	L	60.4	Low	50.1	Low	181 Å²	181	151.1 Å²	151.1	95%	0.948	81%	0.812	S	S	*	*			trans	-143.9	122.8	150.8	-72	177.6	0	0	0	109.8
128	R	47.1	Very low	49.9	Very low	234 Å²	234	150.5 Å²	150.5	88%	0.883	81%	0.808	S	S	*	*			trans	-86.5	146.6	173.4	-82.2	176.5	164.7	177.6	-5.7	110.1
129	S	44.5	Very low	50.6	Low	105 Å²	105	149.8 Å²	149.8	73%	0.734	80%	0.804	S	S	*	*			trans	37.5	134.7	144.1	66	0	0	0	0	120.8
130	V	60.4	Low	50.4	Low	132 Å²	132	150.3 Å²	150.3	80%	0.8	80%	0.803	S	S	*	*				-171.8	129.4	115.5	148.2	0	0	0	0	108.8
131	D	40.8	Very low	50.6	Low	156 Å²	156	149.8 Å²	149.8	83%	0.834	81%	0.805	S	S	*	*			trans	-70.5	150.1	173.2	-70.4	-56.4	0	0	0	112.1
132	S	58.9	Low	50.9	Low	116 Å²	116	147 Å²	147	81%	0.811	81%	0.808	S	S	*	*			trans	-150.5	114.6	160.5	-70.5	0	0	0	0	110.5
133	N	41.5	Very low	50.6	Low	158 Å²	158	141.7 Å²	141.7	85%	0.845	80%	0.802	S	S	*	*			trans	-53	144.8	171.6	-77.5	-26.9	0	0	0	112.6
134	T	53.5	Low	50.3	Low	134 Å²	134	140.9 Å²	140.9	82%	0.822	80%	0.797	S	S	*	*			trans	-151	122.1	138.8	-65.3	0	0	0	0	110.4
135	T	44	Very low	50.6	Low	114 Å²	114	136 Å²	136	70%	0.699	80%	0.795	S	S	*	*			trans	-44.2	150.4	168	36.5	0	0	0	0	116.5
136	L	49.3	Very low	50.1	Low	158 Å²	158	131.4 Å²	131.4	83%	0.827	78%	0.784	S	S	*	*				172.5	127.3	106.8	-100.2	127.7	0	0	0	113.6
137	A	46.5	Very low	50.7	Low	90 Å²	90	132.9 Å²	132.9	74%	0.744	79%	0.789	S	S	*	*			trans	61.3	144.2	144.6	0	0	0	0	0	120.3
138	S	47.5	Very low	50.3	Low	99 Å²	99	130 Å²	130	69%	0.692	78%	0.779	S	S	*	*			cis	178.5	145.6	-11.5	48.1	0	0	0	0	107.1
139	S	52.4	Low	50.8	Low	104 Å²	104	124.1 Å²	124.1	73%	0.727	77%	0.773	S	S	*	*			trans	73.4	133.5	152.4	-53.6	0	0	0	0	117.5
140	T	50	Low	51.2	Low	117 Å²	117	124.1 Å²	124.1	72%	0.718	77%	0.773	S	S	*	*			cis	-173.2	147.7	18.3	17.9	0	0	0	0	110.5
141	N	58	Low	51	Low	154 Å²	154	123.7 Å²	123.7	82%	0.824	77%	0.771	S	S	*	*			trans	98.9	129	144.9	-62.1	-12	0	0	0	122.6
142	S	55.2	Low	51.8	Low	117 Å²	117	122.8 Å²	122.8	82%	0.818	77%	0.771	S	S	*	*			trans	-76.8	165.6	-159.5	-47.2	0	0	0	0	118.4
143	P	44.9	Very low	51.4	Low	112 Å²	112	123 Å²	123	73%	0.727	77%	0.773	S	S	*	*			trans	-107.2	152.6	171.6	38.2	-28.2	0	0	0	115.2
144	V	47	Very low	52	Low	121 Å²	121	126.6 Å²	126.6	73%	0.733	77%	0.774	S	S	*	*			trans	61.1	125.1	139.6	178.7	0	0	0	0	120.4
145	T	53.2	Low	52.5	Low	144 Å²	144	127 Å²	127	88%	0.883	77%	0.767	S	S	*	*			trans	-143.7	129.6	140.6	-54.8	0	0	0	0	110.7
146	T	49.5	Very low	53.3	Low	108 Å²	108	130 Å²	130	66%	0.663	77%	0.77	S	S	*	*			trans	-80.8	134.4	-177.5	-48.4	0	0	0	0	111.7
147	T	59.2	Low	53.7	Low	137 Å²	137	133.7 Å²	133.7	84%	0.84	77%	0.773	S	S	*	*			trans	-147.7	124.2	153.4	-35.6	0	0	0	0	111.9
148	V	52.8	Low	54.3	Low	121 Å²	121	144.8 Å²	144.8	73%	0.733	80%	0.796	S	S	*	*			trans	-85.5	152.2	178.3	-89.9	0	0	0	0	112.2
149	S	57.6	Low	54.6	Low	109 Å²	109	147.1 Å²	147.1	76%	0.762	80%	0.801	S	S	*	*			trans	161.4	106.2	145.5	-70.3	0	0	0	0	108.7
150	S	53.5	Low	54.7	Low	105 Å²	105	149.3 Å²	149.3	73%	0.734	81%	0.805	S	S	*	*				63	138.7	92.4	78.9	0	0	0	0	113
151	V	56.8	Low	55	Low	123 Å²	123	151.1 Å²	151.1	75%	0.745	81%	0.81	S	S	*	*			cis	-171.2	163.6	-4.7	-101.3	0	0	0	0	106.9
152	T	56.1	Low	54.8	Low	138 Å²	138	150.9 Å²	150.9	85%	0.847	81%	0.809	S	S	*	*			trans	99.7	116.1	151.6	73.2	0	0	0	0	120.7
153	S	50.5	Low	54.8	Low	120 Å²	120	153.1 Å²	153.1	84%	0.839	81%	0.808	S	S	*	*			trans	-80.7	147.5	163	-54.5	0	0	0	0	112.6
154	R	54.1	Low	55.4	Low	233 Å²	233	155.8 Å²	155.8	88%	0.879	81%	0.814	S	S	*	*			trans	150.4	145.1	149.1	-104.4	-179.8	157	156.7	0.4	107.4
155	E	64.9	Low	56	Low	143 Å²	143	158.3 Å²	158.3	67%	0.668	82%	0.819	S	S	*	*			cis	-167.3	163.9	27.4	178.1	56.2	-128.9	0	0	107.8
156	K	59.6	Low	56.3	Low	177 Å²	177	159.4 Å²	159.4	77%	0.77	81%	0.814	S	S	*	*			trans	-80.9	168.4	-177.1	-174.2	174.7	-179.7	174	0	112.7
157	R	57.3	Low	56.8	Low	236 Å²	236	163.7 Å²	163.7	89%	0.891	83%	0.827	S	S	*	*			trans	88.4	121	172.7	-60.1	172.6	145.9	168.8	-6.3	113
158	R	59.6	Low	56.6	Low	322 Å²	322	166.1 Å²	166.1	100%	1.215	83%	0.826	S	S	*	*				-151.8	0	50.3	-142	178.5	-173.4	-166.1	0.7	110.8

Retrieved 158 of 158 residues in 38.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).