A0A3Q0KCZ4_SCHMA Loading...

Tubulin-specific chaperone A

Tubulin-folding protein; involved in the early step of the tubulin folding pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KCZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 109 aa.

						>A0A3Q0KCZ4_SCHMA|A0A3Q0KCZ4
MTDKRLRTLSINTNVVKRILKEKSKYEEEVVKNTEIYNNKVAAQADEHDIKMARAILDESRMMVPDCQFRLTKAIKELESAAEECEEFRDTEEYKQAECLLQECLNTSS
					

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	58.8	Low	89.4	Confident	240 Å²	240	91.4 Å²	91.4	100%	1.182	45%	0.445	S	S	*	.				0	115.3	0	-71.2	-64	-149.3	0	0	106.8
2	T	75.3	Confident	90.1	Very high	100 Å²	100	86 Å²	86	61%	0.613	42%	0.42	S	S	*	.			trans	-65.6	138.1	175.2	-50.8	0	0	0	0	109.3	K4 L6	T2-K4 PolarHBondContact O-N 2.84Å; T2-L6 HydrophobicContact CG2-CB 4.07Å
3	D	89.7	Confident	90.6	Very high	56 Å²	56	79.5 Å²	79.5	30%	0.299	39%	0.388	S	S	.	.			trans	-54	136	175.7	-169.6	-55.1	0	0	0	109.4	R5 L6 R7 F88	D3-R5 PolarHBondContact O-N 3.26Å; D3-R5 WeakPolarHBondContact OD1-CB 3.1Å; D3-R5 PolarHBondContact OD1-N 3.48Å; D3-R5 IonicContact OD1-NE 3.83Å; D3-R5 PolarHBondContact OD1-NE 3.06Å; D3-R5 IonicContact OD2-CZ 3.06Å; D3-R5 IonicContact OD2-NE 2.67Å; D3-R5 IonicContact OD2-NH2 3.59Å; D3-R5 PolarHBondContact OD2-NH2 3.03Å; D3-R5 VanDerWaalsContact OD2-NH2 3.13Å; D3-L6 HydrophobicContact CB-CB 4.39Å; D3-L6 HydrophobicContact CB-CD1 4.22Å; D3-L6 HydrophobicContact CB-CG 4.25Å; D3-L6 PolarHBondContact O-N 2.78Å; D3-R7 PolarHBondContact O-N 3.04Å; D3-R7 VanDerWaalsContact O-N 3.12Å; D3-F88 HydrophobicContact CB-CE2 4.42Å; D3-F88 HydrophobicContact CB-CZ 4.02Å; D3-F88 VanDerWaalsContact OD2-CZ 3.32Å; D3-F88 WeakPolarHBondContact OD2-CZ 3.34Å
4	K	93.1	Very high	91.1	Very high	181 Å²	181	79.9 Å²	79.9	79%	0.787	39%	0.393	S	S	*	.	H	α-helix	trans	-58.9	-33.3	-178.3	-69.5	-176.9	-178.8	177.9	0	111.5	T2 R7 T8	T2-K4 PolarHBondContact O-N 2.84Å; K4-R7 WeakPolarHBondContact O-CB 3.21Å; K4-R7 PolarHBondContact O-N 3.46Å; K4-T8 PolarHBondContact O-N 2.95Å; K4-T8 PolarHBondContact O-OG1 3.24Å
5	R	93.9	Very high	91.5	Very high	77 Å²	77	76.7 Å²	76.7	29%	0.291	38%	0.38	S	S	.	.	H	α-helix	trans	-68.8	-44.1	179.2	-64.9	176.4	-71.1	168.3	-5.3	111.7	D3 R7 T8 L9 E84 C85 E87	D3-R5 PolarHBondContact O-N 3.26Å; D3-R5 WeakPolarHBondContact OD1-CB 3.1Å; D3-R5 PolarHBondContact OD1-N 3.48Å; D3-R5 IonicContact OD1-NE 3.83Å; D3-R5 PolarHBondContact OD1-NE 3.06Å; D3-R5 IonicContact OD2-CZ 3.06Å; D3-R5 IonicContact OD2-NE 2.67Å; D3-R5 IonicContact OD2-NH2 3.59Å; D3-R5 PolarHBondContact OD2-NH2 3.03Å; D3-R5 VanDerWaalsContact OD2-NH2 3.13Å; R5-R7 VanDerWaalsContact C-N 3.27Å; R5-R7 PolarHBondContact O-N 3.41Å; R5-T8 WeakPolarHBondContact O-CB 3.33Å; R5-T8 PolarHBondContact O-N 3.38Å; R5-T8 VanDerWaalsContact O-N 3.08Å; R5-L9 WeakPolarHBondContact O-CB 3.4Å; R5-L9 PolarHBondContact O-N 3.24Å; R5-E84 PolarHBondContact NH1-O 3.39Å; R5-C85 VanDerWaalsContact CB-SG 3.55Å; R5-E87 IonicContact CZ-OE1 2.95Å; R5-E87 IonicContact NH1-OE1 3.26Å; R5-E87 PolarHBondContact NH1-OE1 3.34Å; R5-E87 IonicContact NH2-OE1 3.55Å; R5-E87 PolarHBondContact NH2-OE1 3.06Å
6	L	94.2	Very high	91.9	Very high	15 Å²	15	71.9 Å²	71.9	8%	0.079	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-38.1	172.8	-74	178.2	0	0	0	112.4	T2 D3 L9 S10 F88 T91 E93	T2-L6 HydrophobicContact CG2-CB 4.07Å; D3-L6 HydrophobicContact CB-CB 4.39Å; D3-L6 HydrophobicContact CB-CD1 4.22Å; D3-L6 HydrophobicContact CB-CG 4.25Å; D3-L6 PolarHBondContact O-N 2.78Å; L6-L9 HydrophobicContact CD2-CD2 4.43Å; L6-L9 PolarHBondContact O-N 2.92Å; L6-S10 WeakPolarHBondContact O-CB 3.36Å; L6-S10 PolarHBondContact O-N 3.43Å; L6-F88 HydrophobicContact CD1-CD1 4.02Å; L6-F88 HydrophobicContact CD1-CD2 4.46Å; L6-F88 HydrophobicContact CD1-CE1 4.32Å; L6-F88 HydrophobicContact CD1-CG 4.1Å; L6-F88 HydrophobicContact CD2-CB 3.67Å; L6-F88 HydrophobicContact CD2-CD2 3.94Å; L6-F88 HydrophobicContact CD2-CG 3.82Å; L6-F88 HydrophobicContact CG-CB 4.39Å; L6-F88 HydrophobicContact CG-CD1 4.4Å; L6-F88 HydrophobicContact CG-CD2 3.97Å; L6-F88 HydrophobicContact CG-CE2 4.34Å; L6-F88 HydrophobicContact CG-CG 4.01Å; L6-T91 HydrophobicContact CD1-CG2 4.36Å; L6-E93 HydrophobicContact CD2-CB 4.24Å
7	R	94.6	Very high	92.1	Very high	164 Å²	164	72.1 Å²	72.1	62%	0.619	35%	0.354	S	S	*	.	H	α-helix	trans	-63.8	-44.9	173.5	-177.2	179	177.2	-83.4	-0.6	111.7	D3 K4 R5 S10 I11	D3-R7 PolarHBondContact O-N 3.04Å; D3-R7 VanDerWaalsContact O-N 3.12Å; K4-R7 WeakPolarHBondContact O-CB 3.21Å; K4-R7 PolarHBondContact O-N 3.46Å; R5-R7 VanDerWaalsContact C-N 3.27Å; R5-R7 PolarHBondContact O-N 3.41Å; R7-S10 PolarHBondContact O-N 2.92Å; R7-I11 HydrophobicContact CG-CD1 4.07Å; R7-I11 WeakPolarHBondContact O-CD1 3.4Å; R7-I11 VanDerWaalsContact O-CG1 3.27Å; R7-I11 WeakPolarHBondContact O-CG1 3.31Å; R7-I11 PolarHBondContact O-N 3.41Å
8	T	95.2	Very high	92.4	Very high	62 Å²	62	75.4 Å²	75.4	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-44.5	176.1	-60.6	0	0	0	0	111.2	K4 R5 S10 I11 N12	K4-T8 PolarHBondContact O-N 2.95Å; K4-T8 PolarHBondContact O-OG1 3.24Å; R5-T8 WeakPolarHBondContact O-CB 3.33Å; R5-T8 PolarHBondContact O-N 3.38Å; R5-T8 VanDerWaalsContact O-N 3.08Å; T8-S10 PolarHBondContact O-N 3.12Å; T8-I11 WeakPolarHBondContact O-CB 3.41Å; T8-I11 PolarHBondContact O-N 3.47Å; T8-N12 PolarHBondContact O-N 2.89Å
9	L	96.5	Very high	92.6	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-55.7	-53	176.9	-171.8	67.3	0	0	0	111	R5 L6 I11 N12 T13 L78 A81 A82 C85 Y94 A97	R5-L9 WeakPolarHBondContact O-CB 3.4Å; R5-L9 PolarHBondContact O-N 3.24Å; L6-L9 HydrophobicContact CD2-CD2 4.43Å; L6-L9 PolarHBondContact O-N 2.92Å; L9-I11 VanDerWaalsContact C-N 3.3Å; L9-I11 PolarHBondContact O-N 2.95Å; L9-N12 PolarHBondContact O-N 3.43Å; L9-N12 VanDerWaalsContact O-N 3.12Å; L9-T13 PolarHBondContact O-N 3.2Å; L9-T13 PolarHBondContact O-OG1 3.34Å; L9-L78 HydrophobicContact CD1-CD1 3.86Å; L9-A81 HydrophobicContact CD1-CB 3.9Å; L9-A82 HydrophobicContact CD1-CB 4.04Å; L9-C85 HydrophobicContact CD2-CB 4.01Å; L9-Y94 HydrophobicContact CD2-CD2 4.24Å; L9-A97 HydrophobicContact CD1-CB 3.74Å; L9-A97 HydrophobicContact CD2-CB 4.18Å; L9-A97 HydrophobicContact CG-CB 3.89Å
10	S	95.7	Very high	92.6	Very high	41 Å²	41	70.3 Å²	70.3	29%	0.287	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-38.5	177.8	-174.8	0	0	0	0	113	L6 R7 T8 N14	L6-S10 WeakPolarHBondContact O-CB 3.36Å; L6-S10 PolarHBondContact O-N 3.43Å; R7-S10 PolarHBondContact O-N 2.92Å; T8-S10 PolarHBondContact O-N 3.12Å; S10-N14 WeakPolarHBondContact O-CB 3.39Å; S10-N14 PolarHBondContact O-N 2.98Å; S10-N14 VanDerWaalsContact O-N 3.07Å; S10-N14 PolarHBondContact O-ND2 2.96Å
11	I	97	Very high	92.7	Very high	69 Å²	69	74.4 Å²	74.4	35%	0.354	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-49.5	175	-70.3	165	0	0	0	110.2	R7 T8 L9 T13 N14 V15	R7-I11 HydrophobicContact CG-CD1 4.07Å; R7-I11 WeakPolarHBondContact O-CD1 3.4Å; R7-I11 VanDerWaalsContact O-CG1 3.27Å; R7-I11 WeakPolarHBondContact O-CG1 3.31Å; R7-I11 PolarHBondContact O-N 3.41Å; T8-I11 WeakPolarHBondContact O-CB 3.41Å; T8-I11 PolarHBondContact O-N 3.47Å; L9-I11 VanDerWaalsContact C-N 3.3Å; L9-I11 PolarHBondContact O-N 2.95Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.39Å; I11-N14 PolarHBondContact O-N 3.41Å; I11-V15 HydrophobicContact CG2-CG2 4.48Å; I11-V15 WeakPolarHBondContact O-CG2 3.38Å; I11-V15 PolarHBondContact O-N 2.99Å
12	N	97	Very high	94.4	Very high	27 Å²	27	65.4 Å²	65.4	14%	0.144	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-40.9	-179.2	-69.4	1.4	0	0	0	111.3	T8 L9 N14 V15 V16 E77 L78	T8-N12 PolarHBondContact O-N 2.89Å; L9-N12 PolarHBondContact O-N 3.43Å; L9-N12 VanDerWaalsContact O-N 3.12Å; N12-N14 VanDerWaalsContact C-N 3.31Å; N12-N14 PolarHBondContact O-N 3.47Å; N12-V15 PolarHBondContact O-N 3.39Å; N12-V16 WeakPolarHBondContact O-CG2 3.3Å; N12-V16 PolarHBondContact O-N 3.19Å; N12-E77 PolarHBondContact ND2-O 3.45Å; N12-L78 HydrophobicContact CB-CB 4.19Å; N12-L78 HydrophobicContact CB-CD1 3.84Å
13	T	97.4	Very high	95.3	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-56.3	-46.3	173.5	-53.5	0	0	0	0	111.1	L9 I11 V16 K17 L78 L100	L9-T13 PolarHBondContact O-N 3.2Å; L9-T13 PolarHBondContact O-OG1 3.34Å; I11-T13 VanDerWaalsContact C-N 3.35Å; I11-T13 PolarHBondContact O-N 3.39Å; T13-V16 PolarHBondContact O-N 2.86Å; T13-K17 HydrophobicContact CG2-CD 4.43Å; T13-K17 WeakPolarHBondContact O-CG 3.45Å; T13-K17 PolarHBondContact O-N 3.34Å; T13-L78 WeakPolarHBondContact OG1-CD1 3.45Å; T13-L100 HydrophobicContact CG2-CD2 3.76Å; T13-L100 VanDerWaalsContact O-CD2 3.31Å; T13-L100 WeakPolarHBondContact O-CD2 3.48Å
14	N	97.5	Very high	95.4	Very high	84 Å²	84	62.1 Å²	62.1	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-68.6	-33.8	179.2	-74.5	-44	0	0	0	113.1	S10 I11 N12 R18	S10-N14 WeakPolarHBondContact O-CB 3.39Å; S10-N14 PolarHBondContact O-N 2.98Å; S10-N14 VanDerWaalsContact O-N 3.07Å; S10-N14 PolarHBondContact O-ND2 2.96Å; I11-N14 PolarHBondContact O-N 3.41Å; N12-N14 VanDerWaalsContact C-N 3.31Å; N12-N14 PolarHBondContact O-N 3.47Å; N14-R18 PolarHBondContact O-N 2.9Å
15	V	97.5	Very high	95.5	Very high	33 Å²	33	59.4 Å²	59.4	20%	0.2	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-49.4	173.5	171.3	0	0	0	0	110.4	I11 N12 K17 R18 I19 A74	I11-V15 HydrophobicContact CG2-CG2 4.48Å; I11-V15 WeakPolarHBondContact O-CG2 3.38Å; I11-V15 PolarHBondContact O-N 2.99Å; N12-V15 PolarHBondContact O-N 3.39Å; V15-K17 PolarHBondContact O-N 3.35Å; V15-R18 PolarHBondContact O-N 2.85Å; V15-I19 HydrophobicContact CG1-CD1 3.8Å; V15-I19 WeakPolarHBondContact O-CG1 3.34Å; V15-I19 PolarHBondContact O-N 2.99Å; V15-A74 HydrophobicContact CG1-CB 3.96Å
16	V	97	Very high	95.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-47.2	177.3	174.7	0	0	0	0	110.8	N12 T13 R18 I19 L20 L71 A74 I75 L78 L100	N12-V16 WeakPolarHBondContact O-CG2 3.3Å; N12-V16 PolarHBondContact O-N 3.19Å; T13-V16 PolarHBondContact O-N 2.86Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 2.77Å; V16-I19 PolarHBondContact O-N 3.03Å; V16-L20 HydrophobicContact CG1-CD1 4.01Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.35Å; V16-L71 HydrophobicContact CG1-CD1 4.09Å; V16-A74 HydrophobicContact CG2-CB 3.76Å; V16-A74 WeakPolarHBondContact CG2-O 3.29Å; V16-I75 HydrophobicContact CG1-CG1 4.23Å; V16-I75 HydrophobicContact CG2-CG1 4.46Å; V16-L78 HydrophobicContact CB-CD2 4.3Å; V16-L78 HydrophobicContact CG2-CB 4.11Å; V16-L78 HydrophobicContact CG2-CD2 3.92Å; V16-L100 HydrophobicContact CB-CD2 3.66Å; V16-L100 HydrophobicContact CG1-CD1 4.44Å; V16-L100 HydrophobicContact CG1-CD2 3.58Å; V16-L100 HydrophobicContact CG1-CG 3.89Å
17	K	96.2	Very high	95.5	Very high	75 Å²	75	61.4 Å²	61.4	33%	0.326	29%	0.29	S	S	.	.	H	α-helix	trans	-55.7	-40.1	175.9	-75.3	178.4	-179.2	174.5	0	112.9	T13 V15 K21 L100	T13-K17 HydrophobicContact CG2-CD 4.43Å; T13-K17 WeakPolarHBondContact O-CG 3.45Å; T13-K17 PolarHBondContact O-N 3.34Å; V15-K17 PolarHBondContact O-N 3.35Å; K17-K21 WeakPolarHBondContact O-CG 3.37Å; K17-K21 PolarHBondContact O-N 3.23Å; K17-L100 HydrophobicContact CG-CD1 3.94Å; K17-L100 HydrophobicContact CG-CD2 3.68Å; K17-L100 HydrophobicContact CG-CG 4.48Å
18	R	96.6	Very high	95.5	Very high	131 Å²	131	58.3 Å²	58.3	49%	0.494	28%	0.282	S	S	.	.	H	α-helix	trans	-67.7	-46.4	178.3	-176.2	179.4	63.9	-110	-1.3	111.3	N14 V15 V16 L20 K21 E22	N14-R18 PolarHBondContact O-N 2.9Å; V15-R18 PolarHBondContact O-N 2.85Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 2.77Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.46Å; R18-K21 WeakPolarHBondContact O-CB 3.49Å; R18-K21 PolarHBondContact O-N 3.23Å; R18-K21 VanDerWaalsContact O-N 3.16Å; R18-E22 IonicContact NE-OE1 2.63Å; R18-E22 PolarHBondContact O-N 2.92Å
19	I	95.7	Very high	95.6	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-36.4	-179.1	-60.9	167.5	0	0	0	110.8	V15 V16 K21 E22 K23 R70 L71 A74	V15-I19 HydrophobicContact CG1-CD1 3.8Å; V15-I19 WeakPolarHBondContact O-CG1 3.34Å; V15-I19 PolarHBondContact O-N 2.99Å; V16-I19 PolarHBondContact O-N 3.03Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.09Å; I19-E22 WeakPolarHBondContact O-CB 3.46Å; I19-E22 PolarHBondContact O-N 3.23Å; I19-K23 WeakPolarHBondContact O-CB 3.39Å; I19-K23 PolarHBondContact O-N 3.35Å; I19-R70 HydrophobicContact CD1-CB 4.33Å; I19-R70 HydrophobicContact CG2-CB 4.44Å; I19-L71 HydrophobicContact CB-CD1 4.22Å; I19-L71 HydrophobicContact CG2-CB 3.67Å; I19-L71 HydrophobicContact CG2-CD1 4.04Å; I19-L71 HydrophobicContact CG2-CG 4.4Å; I19-A74 HydrophobicContact CD1-CB 3.62Å
20	L	94.1	Very high	95.6	Very high	41 Å²	41	60.4 Å²	60.4	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-42.2	172.4	-75.7	168.8	0	0	0	112.4	V16 R18 K23 S24 L71 L100	V16-L20 HydrophobicContact CG1-CD1 4.01Å; V16-L20 HydrophobicContact CG1-CG 4.39Å; V16-L20 WeakPolarHBondContact O-CG 3.38Å; V16-L20 PolarHBondContact O-N 3.35Å; R18-L20 VanDerWaalsContact C-N 3.31Å; R18-L20 PolarHBondContact O-N 3.46Å; L20-K23 PolarHBondContact O-N 3.47Å; L20-S24 WeakPolarHBondContact O-CB 3.49Å; L20-S24 PolarHBondContact O-N 3.49Å; L20-L71 HydrophobicContact CD2-CD1 3.93Å; L20-L71 HydrophobicContact CD2-CD2 3.72Å; L20-L71 HydrophobicContact CD2-CG 4.48Å; L20-L71 HydrophobicContact CG-CD1 3.88Å; L20-L100 HydrophobicContact CD1-CD1 3.67Å
21	K	94.3	Very high	95.7	Very high	156 Å²	156	62.4 Å²	62.4	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-64.3	-41.8	174.6	-71.5	177.9	179.7	-176.8	0	112	K17 R18 I19 S24 K25	K17-K21 WeakPolarHBondContact O-CG 3.37Å; K17-K21 PolarHBondContact O-N 3.23Å; R18-K21 WeakPolarHBondContact O-CB 3.49Å; R18-K21 PolarHBondContact O-N 3.23Å; R18-K21 VanDerWaalsContact O-N 3.16Å; I19-K21 VanDerWaalsContact C-N 3.33Å; I19-K21 PolarHBondContact O-N 3.09Å; K21-S24 PolarHBondContact O-N 3.46Å; K21-K25 WeakPolarHBondContact O-CG 3.41Å; K21-K25 PolarHBondContact O-N 2.7Å
22	E	94.5	Very high	95.7	Very high	52 Å²	52	65.4 Å²	65.4	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-46.4	174.6	-71	173.5	-153.8	0	0	111.2	R18 I19 S24 K25 Y26 R70	R18-E22 IonicContact NE-OE1 2.63Å; R18-E22 PolarHBondContact O-N 2.92Å; I19-E22 WeakPolarHBondContact O-CB 3.46Å; I19-E22 PolarHBondContact O-N 3.23Å; E22-S24 PolarHBondContact O-N 2.98Å; E22-K25 WeakPolarHBondContact O-CB 3.37Å; E22-K25 PolarHBondContact O-N 2.89Å; E22-K25 VanDerWaalsContact O-N 3.13Å; E22-Y26 HydrophobicContact CB-CE2 4.25Å; E22-Y26 VanDerWaalsContact O-CD2 3.25Å; E22-Y26 WeakPolarHBondContact O-CD2 3.48Å; E22-Y26 PolarHBondContact O-N 3.47Å; E22-R70 IonicContact OE2-CZ 3.61Å; E22-R70 VanDerWaalsContact OE2-CZ 3.3Å; E22-R70 IonicContact OE2-NH1 3.32Å; E22-R70 PolarHBondContact OE2-NH1 3.36Å; E22-R70 IonicContact OE2-NH2 3.04Å; E22-R70 PolarHBondContact OE2-NH2 3.49Å
23	K	93	Very high	95.7	Very high	35 Å²	35	64.9 Å²	64.9	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-50.8	176.9	-179.3	-176.4	164.1	-170.4	0	110.9	I19 L20 K25 Y26 E27 C67 L71	I19-K23 WeakPolarHBondContact O-CB 3.39Å; I19-K23 PolarHBondContact O-N 3.35Å; L20-K23 PolarHBondContact O-N 3.47Å; K23-K25 VanDerWaalsContact C-N 3.27Å; K23-K25 PolarHBondContact O-N 2.97Å; K23-Y26 PolarHBondContact O-N 3.15Å; K23-E27 WeakPolarHBondContact CE-OE1 3.31Å; K23-E27 HydrophobicContact CG-CG 4.44Å; K23-E27 IonicContact NZ-OE1 2.66Å; K23-E27 WeakPolarHBondContact O-CG 3.25Å; K23-E27 PolarHBondContact O-N 3.38Å; K23-C67 VanDerWaalsContact CA-SG 3.54Å; K23-C67 PolarHBondContact N-SG 2.88Å; K23-C67 VanDerWaalsContact N-SG 3.38Å; K23-L71 HydrophobicContact CD-CD2 3.81Å
24	S	93	Very high	95.7	Very high	52 Å²	52	66.3 Å²	66.3	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-39	177.4	167.9	0	0	0	0	112.1	L20 K21 E22 E27 E28	L20-S24 WeakPolarHBondContact O-CB 3.49Å; L20-S24 PolarHBondContact O-N 3.49Å; K21-S24 PolarHBondContact O-N 3.46Å; E22-S24 PolarHBondContact O-N 2.98Å; S24-E27 PolarHBondContact O-N 2.75Å; S24-E28 WeakPolarHBondContact O-CB 3.33Å; S24-E28 VanDerWaalsContact O-CG 3.28Å; S24-E28 WeakPolarHBondContact O-CG 3.48Å; S24-E28 PolarHBondContact O-N 3.39Å
25	K	94.9	Very high	95.7	Very high	124 Å²	124	67.8 Å²	67.8	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-43	176.5	-72.2	-74	158.1	-142.8	0	112.9	K21 E22 K23 E28 E29	K21-K25 WeakPolarHBondContact O-CG 3.41Å; K21-K25 PolarHBondContact O-N 2.7Å; E22-K25 WeakPolarHBondContact O-CB 3.37Å; E22-K25 PolarHBondContact O-N 2.89Å; E22-K25 VanDerWaalsContact O-N 3.13Å; K23-K25 VanDerWaalsContact C-N 3.27Å; K23-K25 PolarHBondContact O-N 2.97Å; K25-E28 IonicContact NZ-OE1 2.7Å; K25-E28 IonicContact NZ-OE2 2.78Å; K25-E28 PolarHBondContact NZ-OE2 2.95Å; K25-E28 PolarHBondContact O-N 3.38Å; K25-E29 WeakPolarHBondContact O-CB 3.48Å; K25-E29 PolarHBondContact O-N 3.3Å
26	Y	93.8	Very high	95.7	Very high	56 Å²	56	69.6 Å²	69.6	22%	0.22	33%	0.328	C	S	.	.	H	α-helix	trans	-67.1	-37.3	176.2	-63.7	-44.9	0	0	0	112.1	E22 K23 E29 V30 M63 C67	E22-Y26 HydrophobicContact CB-CE2 4.25Å; E22-Y26 VanDerWaalsContact O-CD2 3.25Å; E22-Y26 WeakPolarHBondContact O-CD2 3.48Å; E22-Y26 PolarHBondContact O-N 3.47Å; K23-Y26 PolarHBondContact O-N 3.15Å; Y26-E29 PolarHBondContact O-N 2.9Å; Y26-V30 WeakPolarHBondContact O-CG2 3.5Å; Y26-V30 PolarHBondContact O-N 2.95Å; Y26-M63 HydrophobicContact CD1-CB 4.02Å; Y26-M63 HydrophobicContact CD2-CB 4.41Å; Y26-M63 HydrophobicContact CE1-CB 4.21Å; Y26-M63 HydrophobicContact CE1-CE 4.33Å; Y26-M63 HydrophobicContact CG-CB 4.13Å; Y26-C67 HydrophobicContact CD2-CB 3.86Å; Y26-C67 HydrophobicContact CE2-CB 4.1Å
27	E	94.1	Very high	95.7	Very high	78 Å²	78	72.2 Å²	72.2	36%	0.364	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-44.5	174.8	-72.9	173.7	163.7	0	0	111.7	K23 S24 E29 V30 V31	K23-E27 WeakPolarHBondContact CE-OE1 3.31Å; K23-E27 HydrophobicContact CG-CG 4.44Å; K23-E27 IonicContact NZ-OE1 2.66Å; K23-E27 WeakPolarHBondContact O-CG 3.25Å; K23-E27 PolarHBondContact O-N 3.38Å; S24-E27 PolarHBondContact O-N 2.75Å; E27-E29 VanDerWaalsContact C-N 3.28Å; E27-E29 PolarHBondContact O-N 3.33Å; E27-V30 PolarHBondContact O-N 2.95Å; E27-V31 WeakPolarHBondContact O-CG2 3.35Å; E27-V31 PolarHBondContact O-N 3.29Å
28	E	95.7	Very high	95.8	Very high	98 Å²	98	72.7 Å²	72.7	46%	0.458	34%	0.344	S	S	.	.	H	α-helix	trans	-56.5	-42.3	171.9	-77.1	172.1	-168.6	0	0	111.7	S24 K25 V31 K32	S24-E28 WeakPolarHBondContact O-CB 3.33Å; S24-E28 VanDerWaalsContact O-CG 3.28Å; S24-E28 WeakPolarHBondContact O-CG 3.48Å; S24-E28 PolarHBondContact O-N 3.39Å; K25-E28 IonicContact NZ-OE1 2.7Å; K25-E28 IonicContact NZ-OE2 2.78Å; K25-E28 PolarHBondContact NZ-OE2 2.95Å; K25-E28 PolarHBondContact O-N 3.38Å; E28-V31 PolarHBondContact O-N 3.49Å; E28-K32 WeakPolarHBondContact O-CB 3.24Å; E28-K32 PolarHBondContact O-N 3.26Å
29	E	95.8	Very high	95.8	Very high	82 Å²	82	71.6 Å²	71.6	38%	0.383	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-42.6	178.7	-164.2	-174.7	147.4	0	0	112.1	K25 Y26 E27 V31 K32 N33 S60	K25-E29 WeakPolarHBondContact O-CB 3.48Å; K25-E29 PolarHBondContact O-N 3.3Å; Y26-E29 PolarHBondContact O-N 2.9Å; E27-E29 VanDerWaalsContact C-N 3.28Å; E27-E29 PolarHBondContact O-N 3.33Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-V31 PolarHBondContact O-N 3.31Å; E29-K32 PolarHBondContact O-N 3.03Å; E29-N33 WeakPolarHBondContact O-CB 3.49Å; E29-N33 PolarHBondContact O-N 3.45Å; E29-N33 PolarHBondContact O-ND2 2.98Å; E29-S60 PolarHBondContact OE1-OG 3.13Å
30	V	96.7	Very high	95.9	Very high	24 Å²	24	74.8 Å²	74.8	15%	0.145	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-42.3	174.7	170.6	0	0	0	0	111.2	Y26 E27 T34 L57 R61 V64	Y26-V30 WeakPolarHBondContact O-CG2 3.5Å; Y26-V30 PolarHBondContact O-N 2.95Å; E27-V30 PolarHBondContact O-N 2.95Å; V30-T34 VanDerWaalsContact O-CB 3.25Å; V30-T34 WeakPolarHBondContact O-CB 3.44Å; V30-T34 PolarHBondContact O-N 3.18Å; V30-T34 PolarHBondContact O-OG1 2.94Å; V30-L57 HydrophobicContact CG1-CD1 4.29Å; V30-R61 HydrophobicContact CG1-CG 3.84Å; V30-R61 HydrophobicContact CG2-CG 3.94Å; V30-V64 HydrophobicContact CG2-CG2 3.93Å
31	V	97.2	Very high	96	Very high	84 Å²	84	75.9 Å²	75.9	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-51.4	176	171.7	0	0	0	0	110.3	E27 E28 E29 N33 T34 E35	E27-V31 WeakPolarHBondContact O-CG2 3.35Å; E27-V31 PolarHBondContact O-N 3.29Å; E28-V31 PolarHBondContact O-N 3.49Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-V31 PolarHBondContact O-N 3.31Å; V31-N33 PolarHBondContact O-N 3.04Å; V31-T34 WeakPolarHBondContact O-CB 3.38Å; V31-T34 PolarHBondContact O-N 3.01Å; V31-T34 VanDerWaalsContact O-N 3.15Å; V31-E35 PolarHBondContact O-N 3.28Å
32	K	97.5	Very high	96.1	Very high	131 Å²	131	72.4 Å²	72.4	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-58.1	-46	179	-178.3	-177	175.8	-173.9	0	112.5	E28 E29 T34 E35 I36	E28-K32 WeakPolarHBondContact O-CB 3.24Å; E28-K32 PolarHBondContact O-N 3.26Å; E29-K32 PolarHBondContact O-N 3.03Å; K32-T34 VanDerWaalsContact C-N 3.3Å; K32-T34 PolarHBondContact O-N 3.46Å; K32-E35 PolarHBondContact O-N 2.9Å; K32-I36 HydrophobicContact CG-CD1 4.16Å; K32-I36 WeakPolarHBondContact O-CG1 3.31Å; K32-I36 PolarHBondContact O-N 3.45Å
33	N	97.2	Very high	96.3	Very high	16 Å²	16	73.6 Å²	73.6	9%	0.086	39%	0.389	C	S	.	.	H	α-helix	trans	-71.8	-28.2	-179.4	-69.4	-19.2	0	0	0	111.9	E29 V31 Y37 I56 L57 S60	E29-N33 WeakPolarHBondContact O-CB 3.49Å; E29-N33 PolarHBondContact O-N 3.45Å; E29-N33 PolarHBondContact O-ND2 2.98Å; V31-N33 PolarHBondContact O-N 3.04Å; N33-Y37 WeakPolarHBondContact O-CB 3.28Å; N33-Y37 PolarHBondContact O-N 3.06Å; N33-I56 HydrophobicContact CB-CG2 4.49Å; N33-I56 WeakPolarHBondContact ND2-CG2 3.49Å; N33-L57 HydrophobicContact CB-CB 4.27Å; N33-L57 HydrophobicContact CB-CD1 4.07Å; N33-S60 PolarHBondContact ND2-OG 3.07Å
34	T	97.5	Very high	96.4	Very high	33 Å²	33	80.4 Å²	80.4	20%	0.202	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-44.4	171.1	-60.6	0	0	0	0	110.6	V30 V31 K32 Y37 N38 L57	V30-T34 VanDerWaalsContact O-CB 3.25Å; V30-T34 WeakPolarHBondContact O-CB 3.44Å; V30-T34 PolarHBondContact O-N 3.18Å; V30-T34 PolarHBondContact O-OG1 2.94Å; V31-T34 WeakPolarHBondContact O-CB 3.38Å; V31-T34 PolarHBondContact O-N 3.01Å; V31-T34 VanDerWaalsContact O-N 3.15Å; K32-T34 VanDerWaalsContact C-N 3.3Å; K32-T34 PolarHBondContact O-N 3.46Å; T34-Y37 PolarHBondContact O-N 2.93Å; T34-N38 WeakPolarHBondContact O-CB 3.5Å; T34-N38 PolarHBondContact O-N 2.91Å; T34-N38 PolarHBondContact O-ND2 3.28Å; T34-L57 VanDerWaalsContact OG1-CD1 3.24Å; T34-L57 WeakPolarHBondContact OG1-CD1 3.43Å
35	E	97.7	Very high	96.5	Very high	114 Å²	114	79.1 Å²	79.1	53%	0.533	42%	0.415	S	S	.	.	H	α-helix	trans	-60.9	-45.8	174.6	-70.5	175.9	-176.7	0	0	111.8	V31 K32 Y37 N38 N39	V31-E35 PolarHBondContact O-N 3.28Å; K32-E35 PolarHBondContact O-N 2.9Å; E35-Y37 PolarHBondContact O-N 3.39Å; E35-N38 PolarHBondContact O-N 3.38Å; E35-N39 VanDerWaalsContact O-CB 3.3Å; E35-N39 WeakPolarHBondContact O-CB 3.46Å; E35-N39 PolarHBondContact O-N 3.3Å; E35-N39 PolarHBondContact O-ND2 3.23Å
36	I	96.9	Very high	96.6	Very high	71 Å²	71	78.3 Å²	78.3	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-59.2	-48	177.1	-68.5	166.7	0	0	0	110.8	K32 N39 K40 A53	K32-I36 HydrophobicContact CG-CD1 4.16Å; K32-I36 WeakPolarHBondContact O-CG1 3.31Å; K32-I36 PolarHBondContact O-N 3.45Å; I36-N39 PolarHBondContact O-N 3.3Å; I36-K40 WeakPolarHBondContact O-CG 3.25Å; I36-K40 PolarHBondContact O-N 3.31Å; I36-A53 HydrophobicContact CG2-CB 4.42Å
37	Y	97.6	Very high	96.7	Very high	55 Å²	55	83.4 Å²	83.4	22%	0.216	44%	0.442	C	S	.	.	H	α-helix	trans	-59.8	-49.2	177.2	171.2	-99	0	0	0	111.6	N33 T34 E35 N39 K40 V41 I50 A53 R54 L57	N33-Y37 WeakPolarHBondContact O-CB 3.28Å; N33-Y37 PolarHBondContact O-N 3.06Å; T34-Y37 PolarHBondContact O-N 2.93Å; E35-Y37 PolarHBondContact O-N 3.39Å; Y37-N39 VanDerWaalsContact C-N 3.33Å; Y37-N39 PolarHBondContact O-N 2.98Å; Y37-K40 PolarHBondContact O-N 2.67Å; Y37-V41 HydrophobicContact CD1-CG2 4.45Å; Y37-V41 HydrophobicContact CD2-CG2 4.38Å; Y37-V41 HydrophobicContact CE1-CG2 4.01Å; Y37-V41 HydrophobicContact CE2-CG2 3.94Å; Y37-V41 WeakPolarHBondContact O-CG2 3.1Å; Y37-V41 PolarHBondContact O-N 2.73Å; Y37-I50 HydrophobicContact CD2-CG2 4.44Å; Y37-I50 HydrophobicContact CE2-CG2 3.82Å; Y37-A53 HydrophobicContact CD2-CB 4.4Å; Y37-R54 HydrophobicContact CD2-CB 3.96Å; Y37-R54 HydrophobicContact CE2-CB 3.82Å; Y37-R54 HydrophobicContact CE2-CG 4.34Å; Y37-L57 HydrophobicContact CD1-CD2 4.34Å; Y37-L57 HydrophobicContact CG-CD2 4.27Å
38	N	97.5	Very high	96.9	Very high	85 Å²	85	85.4 Å²	85.4	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-40.8	179.3	-71.8	-16.2	0	0	0	112	T34 E35 V41 A42	T34-N38 WeakPolarHBondContact O-CB 3.5Å; T34-N38 PolarHBondContact O-N 2.91Å; T34-N38 PolarHBondContact O-ND2 3.28Å; E35-N38 PolarHBondContact O-N 3.38Å; N38-V41 PolarHBondContact O-N 3.16Å; N38-A42 VanDerWaalsContact O-CB 3.29Å; N38-A42 WeakPolarHBondContact O-CB 3.44Å; N38-A42 PolarHBondContact O-N 3.38Å
39	N	97.6	Very high	96.9	Very high	109 Å²	109	83.4 Å²	83.4	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-64.2	-41.2	176.5	-72.1	-23.7	0	0	0	111.7	E35 I36 Y37 A42 A43	E35-N39 VanDerWaalsContact O-CB 3.3Å; E35-N39 WeakPolarHBondContact O-CB 3.46Å; E35-N39 PolarHBondContact O-N 3.3Å; E35-N39 PolarHBondContact O-ND2 3.23Å; I36-N39 PolarHBondContact O-N 3.3Å; Y37-N39 VanDerWaalsContact C-N 3.33Å; Y37-N39 PolarHBondContact O-N 2.98Å; N39-A42 PolarHBondContact O-N 2.99Å; N39-A43 WeakPolarHBondContact O-CB 3.44Å; N39-A43 PolarHBondContact O-N 2.83Å
40	K	96.8	Very high	97	Very high	74 Å²	74	81.4 Å²	81.4	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-41	175.4	-72.6	-72.5	-170.6	170.2	0	112	I36 Y37 Q44 A45 D49 I50 A53	I36-K40 WeakPolarHBondContact O-CG 3.25Å; I36-K40 PolarHBondContact O-N 3.31Å; Y37-K40 PolarHBondContact O-N 2.67Å; K40-Q44 PolarHBondContact O-N 3.44Å; K40-A45 HydrophobicContact CB-CB 4.28Å; K40-A45 HydrophobicContact CD-CB 3.83Å; K40-A45 WeakPolarHBondContact O-CB 3.49Å; K40-A45 PolarHBondContact O-N 3.48Å; K40-D49 HydrophobicContact CD-CB 4.48Å; K40-D49 IonicContact NZ-OD2 3.57Å; K40-D49 PolarHBondContact NZ-OD2 3.44Å; K40-I50 HydrophobicContact CB-CG1 4.21Å; K40-A53 HydrophobicContact CG-CB 4.39Å
41	V	96.9	Very high	97	Very high	64 Å²	64	87.7 Å²	87.7	39%	0.388	46%	0.46	S	S	.	.	H	α-helix	trans	-66	-47.2	175.5	173.4	0	0	0	0	111.1	Y37 N38 A43 Q44 I50	Y37-V41 HydrophobicContact CD1-CG2 4.45Å; Y37-V41 HydrophobicContact CD2-CG2 4.38Å; Y37-V41 HydrophobicContact CE1-CG2 4.01Å; Y37-V41 HydrophobicContact CE2-CG2 3.94Å; Y37-V41 WeakPolarHBondContact O-CG2 3.1Å; Y37-V41 PolarHBondContact O-N 2.73Å; N38-V41 PolarHBondContact O-N 3.16Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.39Å; V41-Q44 PolarHBondContact O-N 3.45Å; V41-I50 HydrophobicContact CG2-CD1 4.45Å; V41-I50 HydrophobicContact CG2-CG2 3.94Å
42	A	97.4	Very high	97	Very high	83 Å²	83	88.5 Å²	88.5	69%	0.686	46%	0.46	S	S	*	.	H	α-helix	trans	-64.5	-35.4	180	0	0	0	0	0	112.7	N38 N39 Q44	N38-A42 VanDerWaalsContact O-CB 3.29Å; N38-A42 WeakPolarHBondContact O-CB 3.44Å; N38-A42 PolarHBondContact O-N 3.38Å; N39-A42 PolarHBondContact O-N 2.99Å; A42-Q44 PolarHBondContact O-N 3.13Å
43	A	97	Very high	97	Very high	77 Å²	77	82.7 Å²	82.7	64%	0.636	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	0.2	175	0	0	0	0	0	113.8	N39 V41 A45	N39-A43 WeakPolarHBondContact O-CB 3.44Å; N39-A43 PolarHBondContact O-N 2.83Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 PolarHBondContact O-N 3.39Å; A43-A45 PolarHBondContact O-N 3.25Å
44	Q	95.9	Very high	97	Very high	178 Å²	178	86.7 Å²	86.7	83%	0.832	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	44.6	-173.5	-55.2	-172.6	-80.2	0	0	112	K40 V41 A42	K40-Q44 PolarHBondContact O-N 3.44Å; V41-Q44 PolarHBondContact O-N 3.45Å; A42-Q44 PolarHBondContact O-N 3.13Å
45	A	96	Very high	97	Very high	26 Å²	26	87.3 Å²	87.3	22%	0.215	46%	0.459	C	S	.	.			trans	-60.5	167.1	177	0	0	0	0	0	111.3	K40 A43 D49 I50	K40-A45 HydrophobicContact CB-CB 4.28Å; K40-A45 HydrophobicContact CD-CB 3.83Å; K40-A45 WeakPolarHBondContact O-CB 3.49Å; K40-A45 PolarHBondContact O-N 3.48Å; A43-A45 PolarHBondContact O-N 3.25Å; A45-D49 HydrophobicContact CB-CB 4.27Å; A45-I50 HydrophobicContact CB-CG1 4.31Å; A45-I50 WeakPolarHBondContact O-CD1 3.38Å
46	D	96.7	Very high	97	Very high	106 Å²	106	85.4 Å²	85.4	57%	0.567	45%	0.451	S	S	*	.			trans	-55.4	147	176.3	-175.7	83.1	0	0	0	112	H48 D49 I50	D46-H48 PolarHBondContact O-N 2.8Å; D46-H48 WeakPolarHBondContact OD2-CB 2.84Å; D46-H48 PolarHBondContact OD2-N 3.24Å; D46-D49 HydrophobicContact CB-CB 4.47Å; D46-D49 WeakPolarHBondContact O-CB 3.45Å; D46-D49 PolarHBondContact O-N 3.4Å; D46-I50 PolarHBondContact O-N 2.97Å
47	E	96.2	Very high	97	Very high	164 Å²	164	82.1 Å²	82.1	77%	0.766	43%	0.434	S	S	*	.	H	α-helix	trans	-57.9	-37.6	-178	-172.9	-179.3	174.5	0	0	112.1	D49 I50 K51	E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.21Å; E47-I50 PolarHBondContact O-N 2.92Å; E47-K51 VanDerWaalsContact O-CB 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.38Å; E47-K51 PolarHBondContact O-N 2.93Å
48	H	96.8	Very high	97	Very high	120 Å²	120	82 Å²	82	56%	0.556	44%	0.438	S	S	*	.	H	α-helix	trans	-61.8	-43.1	176.2	-179.3	-85.6	0	0	0	111.5	D46 K51 M52	D46-H48 PolarHBondContact O-N 2.8Å; D46-H48 WeakPolarHBondContact OD2-CB 2.84Å; D46-H48 PolarHBondContact OD2-N 3.24Å; H48-K51 PolarHBondContact O-N 3.5Å; H48-M52 WeakPolarHBondContact O-CB 3.27Å; H48-M52 PolarHBondContact O-N 2.92Å
49	D	96.8	Very high	96.8	Very high	56 Å²	56	83.7 Å²	83.7	30%	0.299	44%	0.443	S	S	.	.	H	α-helix	trans	-64.5	-44.1	179.1	-96.8	18.1	0	0	0	111.9	K40 A45 D46 E47 M52 A53	K40-D49 HydrophobicContact CD-CB 4.48Å; K40-D49 IonicContact NZ-OD2 3.57Å; K40-D49 PolarHBondContact NZ-OD2 3.44Å; A45-D49 HydrophobicContact CB-CB 4.27Å; D46-D49 HydrophobicContact CB-CB 4.47Å; D46-D49 WeakPolarHBondContact O-CB 3.45Å; D46-D49 PolarHBondContact O-N 3.4Å; E47-D49 VanDerWaalsContact C-N 3.34Å; E47-D49 PolarHBondContact O-N 3.21Å; D49-M52 PolarHBondContact O-N 3.19Å; D49-A53 WeakPolarHBondContact O-CB 3.36Å; D49-A53 PolarHBondContact O-N 3.18Å
50	I	97.4	Very high	96.7	Very high	40 Å²	40	78.6 Å²	78.6	21%	0.205	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-43.7	177.5	-65.8	172.4	0	0	0	110.1	Y37 K40 V41 A45 D46 E47 M52 A53 R54	Y37-I50 HydrophobicContact CD2-CG2 4.44Å; Y37-I50 HydrophobicContact CE2-CG2 3.82Å; K40-I50 HydrophobicContact CB-CG1 4.21Å; V41-I50 HydrophobicContact CG2-CD1 4.45Å; V41-I50 HydrophobicContact CG2-CG2 3.94Å; A45-I50 HydrophobicContact CB-CG1 4.31Å; A45-I50 WeakPolarHBondContact O-CD1 3.38Å; D46-I50 PolarHBondContact O-N 2.97Å; E47-I50 PolarHBondContact O-N 2.92Å; I50-M52 VanDerWaalsContact C-N 3.34Å; I50-M52 PolarHBondContact O-N 3.03Å; I50-A53 PolarHBondContact O-N 2.95Å; I50-R54 WeakPolarHBondContact O-CB 3.5Å; I50-R54 PolarHBondContact O-N 3.32Å
51	K	97.4	Very high	96.6	Very high	156 Å²	156	80.2 Å²	80.2	68%	0.678	42%	0.42	S	S	*	.	H	α-helix	trans	-62.8	-40.6	177.8	-173.1	178.2	-179.2	179.1	0	111.9	E47 H48 R54 A55	E47-K51 VanDerWaalsContact O-CB 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.38Å; E47-K51 PolarHBondContact O-N 2.93Å; H48-K51 PolarHBondContact O-N 3.5Å; K51-R54 PolarHBondContact O-N 2.91Å; K51-A55 PolarHBondContact O-N 3.18Å
52	M	97.2	Very high	96.4	Very high	100 Å²	100	83.3 Å²	83.3	49%	0.493	43%	0.432	S	S	.	.	H	α-helix	trans	-67.5	-44.6	176.8	-173.4	151.2	65.7	0	0	111.8	H48 D49 I50 R54 A55 I56	H48-M52 WeakPolarHBondContact O-CB 3.27Å; H48-M52 PolarHBondContact O-N 2.92Å; D49-M52 PolarHBondContact O-N 3.19Å; I50-M52 VanDerWaalsContact C-N 3.34Å; I50-M52 PolarHBondContact O-N 3.03Å; M52-R54 PolarHBondContact O-N 3.26Å; M52-A55 PolarHBondContact O-N 3.48Å; M52-I56 HydrophobicContact CG-CD1 4.34Å; M52-I56 WeakPolarHBondContact O-CG1 3.46Å; M52-I56 PolarHBondContact O-N 3.03Å; M52-I56 VanDerWaalsContact O-N 3.12Å
53	A	97.2	Very high	96.1	Very high	10 Å²	10	83.2 Å²	83.2	8%	0.083	42%	0.418	C	S	.	.	H	α-helix	trans	-60.1	-37.2	174	0	0	0	0	0	111.9	I36 Y37 K40 D49 I50 L57	I36-A53 HydrophobicContact CG2-CB 4.42Å; Y37-A53 HydrophobicContact CD2-CB 4.4Å; K40-A53 HydrophobicContact CG-CB 4.39Å; D49-A53 WeakPolarHBondContact O-CB 3.36Å; D49-A53 PolarHBondContact O-N 3.18Å; I50-A53 PolarHBondContact O-N 2.95Å; A53-L57 WeakPolarHBondContact O-CB 3.4Å; A53-L57 PolarHBondContact O-N 3.39Å
54	R	97.4	Very high	95.9	Very high	99 Å²	99	80.6 Å²	80.6	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-44.4	175.8	-178.7	58.5	-169.8	-125.5	4.2	112.6	Y37 I50 K51 M52 I56 L57 D58	Y37-R54 HydrophobicContact CD2-CB 3.96Å; Y37-R54 HydrophobicContact CE2-CB 3.82Å; Y37-R54 HydrophobicContact CE2-CG 4.34Å; I50-R54 WeakPolarHBondContact O-CB 3.5Å; I50-R54 PolarHBondContact O-N 3.32Å; K51-R54 PolarHBondContact O-N 2.91Å; M52-R54 PolarHBondContact O-N 3.26Å; R54-I56 VanDerWaalsContact C-N 3.33Å; R54-I56 PolarHBondContact O-N 3Å; R54-L57 WeakPolarHBondContact O-CB 3.43Å; R54-L57 PolarHBondContact O-N 3.43Å; R54-D58 IonicContact CZ-OD1 3.88Å; R54-D58 IonicContact CZ-OD2 3.82Å; R54-D58 VanDerWaalsContact NE-CG 3.35Å; R54-D58 IonicContact NE-OD1 3.72Å; R54-D58 PolarHBondContact NE-OD1 3.37Å; R54-D58 IonicContact NE-OD2 2.8Å; R54-D58 PolarHBondContact NE-OD2 2.86Å; R54-D58 IonicContact NH2-OD1 3.13Å; R54-D58 PolarHBondContact NH2-OD1 3.46Å; R54-D58 IonicContact NH2-OD2 3.6Å; R54-D58 PolarHBondContact O-N 3.44Å
55	A	97.5	Very high	95.7	Very high	46 Å²	46	75.8 Å²	75.8	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-58.9	-45.6	177.5	0	0	0	0	0	111.5	K51 M52 L57 D58 E59	K51-A55 PolarHBondContact O-N 3.18Å; M52-A55 PolarHBondContact O-N 3.48Å; A55-L57 PolarHBondContact O-N 3.17Å; A55-D58 PolarHBondContact O-N 2.96Å; A55-E59 WeakPolarHBondContact O-CG 3.5Å; A55-E59 PolarHBondContact O-N 2.88Å
56	I	96.8	Very high	95.5	Very high	74 Å²	74	78.3 Å²	78.3	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-43.7	176.2	-65	167.5	0	0	0	111.1	N33 M52 R54 D58 E59 S60	N33-I56 HydrophobicContact CB-CG2 4.49Å; N33-I56 WeakPolarHBondContact ND2-CG2 3.49Å; M52-I56 HydrophobicContact CG-CD1 4.34Å; M52-I56 WeakPolarHBondContact O-CG1 3.46Å; M52-I56 PolarHBondContact O-N 3.03Å; M52-I56 VanDerWaalsContact O-N 3.12Å; R54-I56 VanDerWaalsContact C-N 3.33Å; R54-I56 PolarHBondContact O-N 3Å; I56-D58 PolarHBondContact O-N 3Å; I56-E59 PolarHBondContact O-N 3.45Å; I56-S60 PolarHBondContact O-N 3.47Å; I56-S60 VanDerWaalsContact O-N 3.09Å; I56-S60 PolarHBondContact O-OG 3.06Å
57	L	97.4	Very high	95.4	Very high	2 Å²	2	73.2 Å²	73.2	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-44.1	175.9	173.4	58.3	0	0	0	112.1	V30 N33 T34 Y37 A53 R54 A55 E59 S60 R61	V30-L57 HydrophobicContact CG1-CD1 4.29Å; N33-L57 HydrophobicContact CB-CB 4.27Å; N33-L57 HydrophobicContact CB-CD1 4.07Å; T34-L57 VanDerWaalsContact OG1-CD1 3.24Å; T34-L57 WeakPolarHBondContact OG1-CD1 3.43Å; Y37-L57 HydrophobicContact CD1-CD2 4.34Å; Y37-L57 HydrophobicContact CG-CD2 4.27Å; A53-L57 WeakPolarHBondContact O-CB 3.4Å; A53-L57 PolarHBondContact O-N 3.39Å; R54-L57 WeakPolarHBondContact O-CB 3.43Å; R54-L57 PolarHBondContact O-N 3.43Å; A55-L57 PolarHBondContact O-N 3.17Å; L57-E59 VanDerWaalsContact C-N 3.34Å; L57-S60 PolarHBondContact O-N 2.93Å; L57-R61 HydrophobicContact CD1-CG 4.21Å; L57-R61 WeakPolarHBondContact O-CB 3.27Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 2.99Å
58	D	96.7	Very high	95.2	Very high	54 Å²	54	69.6 Å²	69.6	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-37.7	179.3	-70.1	-29	0	0	0	110.8	R54 A55 I56 R61 M62	R54-D58 IonicContact CZ-OD1 3.88Å; R54-D58 IonicContact CZ-OD2 3.82Å; R54-D58 VanDerWaalsContact NE-CG 3.35Å; R54-D58 IonicContact NE-OD1 3.72Å; R54-D58 PolarHBondContact NE-OD1 3.37Å; R54-D58 IonicContact NE-OD2 2.8Å; R54-D58 PolarHBondContact NE-OD2 2.86Å; R54-D58 IonicContact NH2-OD1 3.13Å; R54-D58 PolarHBondContact NH2-OD1 3.46Å; R54-D58 IonicContact NH2-OD2 3.6Å; R54-D58 PolarHBondContact O-N 3.44Å; A55-D58 PolarHBondContact O-N 2.96Å; I56-D58 PolarHBondContact O-N 3Å; D58-R61 PolarHBondContact O-N 3.42Å; D58-M62 WeakPolarHBondContact O-CE 3.48Å; D58-M62 VanDerWaalsContact O-CG 3.31Å; D58-M62 WeakPolarHBondContact O-CG 3.32Å; D58-M62 PolarHBondContact O-N 3.07Å
59	E	94.9	Very high	95.1	Very high	120 Å²	120	70.8 Å²	70.8	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-58.4	-51.2	172.2	-75	174.5	-169.2	0	0	112.7	A55 I56 L57 R61 M62	A55-E59 WeakPolarHBondContact O-CG 3.5Å; A55-E59 PolarHBondContact O-N 2.88Å; I56-E59 PolarHBondContact O-N 3.45Å; L57-E59 VanDerWaalsContact C-N 3.34Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-R61 PolarHBondContact O-N 3.13Å; E59-M62 HydrophobicContact CG-CE 4.22Å; E59-M62 WeakPolarHBondContact O-CB 3.49Å; E59-M62 PolarHBondContact O-N 3.12Å; E59-M62 VanDerWaalsContact O-N 3.13Å
60	S	93.8	Very high	95	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-36.1	177.9	-50.9	0	0	0	0	111.8	E29 N33 I56 L57 M62 M63	E29-S60 PolarHBondContact OE1-OG 3.13Å; N33-S60 PolarHBondContact ND2-OG 3.07Å; I56-S60 PolarHBondContact O-N 3.47Å; I56-S60 VanDerWaalsContact O-N 3.09Å; I56-S60 PolarHBondContact O-OG 3.06Å; L57-S60 PolarHBondContact O-N 2.93Å; S60-M62 VanDerWaalsContact C-N 3.33Å; S60-M62 PolarHBondContact O-N 3.31Å; S60-M63 PolarHBondContact O-N 3.17Å
61	R	94.6	Very high	94.9	Very high	109 Å²	109	70.2 Å²	70.2	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-34.1	176.1	-76.4	176.5	175.2	-170.1	-0.7	112.6	V30 L57 D58 E59 M63 V64 P65	V30-R61 HydrophobicContact CG1-CG 3.84Å; V30-R61 HydrophobicContact CG2-CG 3.94Å; L57-R61 HydrophobicContact CD1-CG 4.21Å; L57-R61 WeakPolarHBondContact O-CB 3.27Å; L57-R61 VanDerWaalsContact O-CG 3.31Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 2.99Å; D58-R61 PolarHBondContact O-N 3.42Å; E59-R61 VanDerWaalsContact C-N 3.27Å; E59-R61 PolarHBondContact O-N 3.13Å; R61-M63 PolarHBondContact O-N 2.85Å; R61-V64 PolarHBondContact O-N 3.07Å; R61-P65 WeakPolarHBondContact O-CD 3.42Å
62	M	93.3	Very high	94.8	Very high	129 Å²	129	66.3 Å²	66.3	64%	0.635	33%	0.329	S	S	*	.	H	α-helix	trans	-65.9	-21.2	177.5	-76.2	-174.5	-83.4	0	0	113	D58 E59 S60	D58-M62 WeakPolarHBondContact O-CE 3.48Å; D58-M62 VanDerWaalsContact O-CG 3.31Å; D58-M62 WeakPolarHBondContact O-CG 3.32Å; D58-M62 PolarHBondContact O-N 3.07Å; E59-M62 HydrophobicContact CG-CE 4.22Å; E59-M62 WeakPolarHBondContact O-CB 3.49Å; E59-M62 PolarHBondContact O-N 3.12Å; E59-M62 VanDerWaalsContact O-N 3.13Å; S60-M62 VanDerWaalsContact C-N 3.33Å; S60-M62 PolarHBondContact O-N 3.31Å
63	M	90.8	Very high	94.7	Very high	81 Å²	81	67.2 Å²	67.2	40%	0.399	33%	0.33	S	S	.	.	H	α-helix	trans	-80.2	-27.6	178.8	-61.3	-55.8	-71.9	0	0	113.9	Y26 S60 R61 C67	Y26-M63 HydrophobicContact CD1-CB 4.02Å; Y26-M63 HydrophobicContact CD2-CB 4.41Å; Y26-M63 HydrophobicContact CE1-CB 4.21Å; Y26-M63 HydrophobicContact CE1-CE 4.33Å; Y26-M63 HydrophobicContact CG-CB 4.13Å; S60-M63 PolarHBondContact O-N 3.17Å; R61-M63 PolarHBondContact O-N 2.85Å; M63-C67 PolarHBondContact O-N 3.31Å
64	V	92.1	Very high	94.7	Very high	22 Å²	22	67 Å²	67	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-45.6	-175.8	176.3	0	0	0	0	112.5	V30 R61 D66 C67 Q68	V30-V64 HydrophobicContact CG2-CG2 3.93Å; R61-V64 PolarHBondContact O-N 3.07Å; V64-D66 PolarHBondContact O-N 3.13Å; V64-C67 PolarHBondContact O-N 3.34Å; V64-Q68 HydrophobicContact CG1-CG 4.28Å; V64-Q68 WeakPolarHBondContact O-CG 3.5Å; V64-Q68 PolarHBondContact O-N 3.13Å
65	P	93.4	Very high	94.7	Very high	76 Å²	76	63.5 Å²	63.5	49%	0.494	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-40.8	179.1	-26.5	35.3	0	0	0	114.4	R61 C67 Q68 F69	R61-P65 WeakPolarHBondContact O-CD 3.42Å; P65-C67 VanDerWaalsContact C-N 3.34Å; P65-C67 PolarHBondContact O-N 2.94Å; P65-Q68 PolarHBondContact O-N 2.92Å; P65-F69 PolarHBondContact O-N 3.3Å
66	D	92	Very high	94.6	Very high	79 Å²	79	67.4 Å²	67.4	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-45.2	176.2	174.1	75.8	0	0	0	110.7	V64 Q68 F69 R70	V64-D66 PolarHBondContact O-N 3.13Å; D66-Q68 VanDerWaalsContact C-N 3.32Å; D66-Q68 PolarHBondContact O-N 3.1Å; D66-F69 PolarHBondContact O-N 2.81Å; D66-R70 WeakPolarHBondContact O-CG 3.43Å; D66-R70 PolarHBondContact O-N 3.41Å; D66-R70 IonicContact OD2-CZ 3.84Å; D66-R70 IonicContact OD2-NE 3.81Å; D66-R70 PolarHBondContact OD2-NE 2.99Å; D66-R70 IonicContact OD2-NH2 3.57Å
67	C	93.1	Very high	94.6	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-39.9	178.4	-163.7	0	0	0	0	112	K23 Y26 M63 V64 P65 R70 L71	K23-C67 VanDerWaalsContact CA-SG 3.54Å; K23-C67 PolarHBondContact N-SG 2.88Å; K23-C67 VanDerWaalsContact N-SG 3.38Å; Y26-C67 HydrophobicContact CD2-CB 3.86Å; Y26-C67 HydrophobicContact CE2-CB 4.1Å; M63-C67 PolarHBondContact O-N 3.31Å; V64-C67 PolarHBondContact O-N 3.34Å; P65-C67 VanDerWaalsContact C-N 3.34Å; P65-C67 PolarHBondContact O-N 2.94Å; C67-R70 PolarHBondContact O-N 3.26Å; C67-L71 VanDerWaalsContact O-CB 3.27Å; C67-L71 WeakPolarHBondContact O-CB 3.31Å; C67-L71 PolarHBondContact O-N 3.08Å
68	Q	92.7	Very high	94.6	Very high	87 Å²	87	67.8 Å²	67.8	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-42.5	174.7	-72.4	174.2	-11.3	0	0	111.8	V64 P65 D66 L71 T72	V64-Q68 HydrophobicContact CG1-CG 4.28Å; V64-Q68 WeakPolarHBondContact O-CG 3.5Å; V64-Q68 PolarHBondContact O-N 3.13Å; P65-Q68 PolarHBondContact O-N 2.92Å; D66-Q68 VanDerWaalsContact C-N 3.32Å; D66-Q68 PolarHBondContact O-N 3.1Å; Q68-L71 PolarHBondContact O-N 3.24Å; Q68-T72 PolarHBondContact O-N 3.5Å; Q68-T72 PolarHBondContact O-OG1 3.21Å; Q68-T72 VanDerWaalsContact O-OG1 3.07Å
69	F	94.1	Very high	94.6	Very high	145 Å²	145	68.5 Å²	68.5	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-61.8	-47.1	176.2	178.6	-99.9	0	0	0	111.8	P65 D66 L71 T72 K73	P65-F69 PolarHBondContact O-N 3.3Å; D66-F69 PolarHBondContact O-N 2.81Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 3.31Å; F69-T72 PolarHBondContact O-N 3.13Å; F69-K73 PolarHBondContact O-N 3.37Å
70	R	95	Very high	94.7	Very high	74 Å²	74	65.8 Å²	65.8	28%	0.279	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-39.4	175.5	-70.5	-170.4	-67.7	118.1	-1.5	111.9	I19 E22 D66 C67 K73 A74	I19-R70 HydrophobicContact CD1-CB 4.33Å; I19-R70 HydrophobicContact CG2-CB 4.44Å; E22-R70 IonicContact OE2-CZ 3.61Å; E22-R70 VanDerWaalsContact OE2-CZ 3.3Å; E22-R70 IonicContact OE2-NH1 3.32Å; E22-R70 PolarHBondContact OE2-NH1 3.36Å; E22-R70 IonicContact OE2-NH2 3.04Å; E22-R70 PolarHBondContact OE2-NH2 3.49Å; D66-R70 WeakPolarHBondContact O-CG 3.43Å; D66-R70 PolarHBondContact O-N 3.41Å; D66-R70 IonicContact OD2-CZ 3.84Å; D66-R70 IonicContact OD2-NE 3.81Å; D66-R70 PolarHBondContact OD2-NE 2.99Å; D66-R70 IonicContact OD2-NH2 3.57Å; C67-R70 PolarHBondContact O-N 3.26Å; R70-K73 PolarHBondContact O-N 3.31Å; R70-A74 WeakPolarHBondContact O-CB 3.25Å; R70-A74 PolarHBondContact O-N 2.96Å
71	L	95.4	Very high	94.8	Very high	10 Å²	10	66.1 Å²	66.1	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-50.3	177.4	-177.7	58.4	0	0	0	111.2	V16 I19 L20 K23 C67 Q68 F69 K73 A74 I75	V16-L71 HydrophobicContact CG1-CD1 4.09Å; I19-L71 HydrophobicContact CB-CD1 4.22Å; I19-L71 HydrophobicContact CG2-CB 3.67Å; I19-L71 HydrophobicContact CG2-CD1 4.04Å; I19-L71 HydrophobicContact CG2-CG 4.4Å; L20-L71 HydrophobicContact CD2-CD1 3.93Å; L20-L71 HydrophobicContact CD2-CD2 3.72Å; L20-L71 HydrophobicContact CD2-CG 4.48Å; L20-L71 HydrophobicContact CG-CD1 3.88Å; K23-L71 HydrophobicContact CD-CD2 3.81Å; C67-L71 VanDerWaalsContact O-CB 3.27Å; C67-L71 WeakPolarHBondContact O-CB 3.31Å; C67-L71 PolarHBondContact O-N 3.08Å; Q68-L71 PolarHBondContact O-N 3.24Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-L71 PolarHBondContact O-N 3.31Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 3.46Å; L71-A74 PolarHBondContact O-N 2.95Å; L71-A74 VanDerWaalsContact O-N 3.13Å; L71-I75 HydrophobicContact CD1-CD1 4Å; L71-I75 HydrophobicContact CD1-CG1 4.19Å; L71-I75 HydrophobicContact CG-CD1 3.77Å; L71-I75 HydrophobicContact CG-CG1 4.4Å; L71-I75 VanDerWaalsContact O-CG1 3.32Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 3.39Å
72	T	95.1	Very high	94.8	Very high	74 Å²	74	61.3 Å²	61.3	45%	0.454	31%	0.307	S	S	.	.	H	α-helix	trans	-57.6	-40.9	178	-62	0	0	0	0	111.8	Q68 F69 K76	Q68-T72 PolarHBondContact O-N 3.5Å; Q68-T72 PolarHBondContact O-OG1 3.21Å; Q68-T72 VanDerWaalsContact O-OG1 3.07Å; F69-T72 PolarHBondContact O-N 3.13Å; T72-K76 WeakPolarHBondContact O-CG 3.49Å; T72-K76 PolarHBondContact O-N 3.41Å
73	K	96.4	Very high	94.9	Very high	120 Å²	120	61.5 Å²	61.5	52%	0.522	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-46.9	175.6	-176.6	178.5	173.1	-175.6	0	111.8	F69 R70 L71 I75 K76 E77	F69-K73 PolarHBondContact O-N 3.37Å; R70-K73 PolarHBondContact O-N 3.31Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 3.46Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 PolarHBondContact O-N 2.87Å; K73-K76 PolarHBondContact O-N 3.39Å; K73-E77 WeakPolarHBondContact CE-OE1 3.36Å; K73-E77 WeakPolarHBondContact O-CG 3.47Å; K73-E77 PolarHBondContact O-N 3.32Å
74	A	96.8	Very high	95.1	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-35.4	-179.9	0	0	0	0	0	112.9	V15 V16 I19 R70 L71 E77 L78	V15-A74 HydrophobicContact CG1-CB 3.96Å; V16-A74 HydrophobicContact CG2-CB 3.76Å; V16-A74 WeakPolarHBondContact CG2-O 3.29Å; I19-A74 HydrophobicContact CD1-CB 3.62Å; R70-A74 WeakPolarHBondContact O-CB 3.25Å; R70-A74 PolarHBondContact O-N 2.96Å; L71-A74 PolarHBondContact O-N 2.95Å; L71-A74 VanDerWaalsContact O-N 3.13Å; A74-E77 PolarHBondContact O-N 3.02Å; A74-L78 WeakPolarHBondContact O-CB 3.42Å; A74-L78 PolarHBondContact O-N 3.33Å
75	I	96.4	Very high	95.2	Very high	25 Å²	25	62.4 Å²	62.4	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-48.9	173.5	-71.7	165.4	0	0	0	109.8	V16 L71 K73 E77 L78 E79 L101 C104	V16-I75 HydrophobicContact CG1-CG1 4.23Å; V16-I75 HydrophobicContact CG2-CG1 4.46Å; L71-I75 HydrophobicContact CD1-CD1 4Å; L71-I75 HydrophobicContact CD1-CG1 4.19Å; L71-I75 HydrophobicContact CG-CD1 3.77Å; L71-I75 HydrophobicContact CG-CG1 4.4Å; L71-I75 VanDerWaalsContact O-CG1 3.32Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 3.39Å; K73-I75 VanDerWaalsContact C-N 3.34Å; K73-I75 PolarHBondContact O-N 2.87Å; I75-E77 VanDerWaalsContact C-N 3.32Å; I75-E77 PolarHBondContact O-N 3.19Å; I75-L78 CarbonylContact O-C 3.57Å; I75-L78 WeakPolarHBondContact O-CA 3.44Å; I75-L78 WeakPolarHBondContact O-CB 3.11Å; I75-L78 PolarHBondContact O-N 3.39Å; I75-E79 HydrophobicContact CG2-CG 4.31Å; I75-E79 WeakPolarHBondContact O-CG 3.48Å; I75-E79 PolarHBondContact O-N 3.47Å; I75-L101 HydrophobicContact CG2-CD2 3.9Å; I75-C104 HydrophobicContact CD1-CB 3.65Å; I75-C104 HydrophobicContact CG1-CB 4.19Å
76	K	96.4	Very high	95.1	Very high	129 Å²	129	62.6 Å²	62.6	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-59.3	-41.6	177	-71.2	179.4	179	-173.6	0	112.8	T72 K73 L78 E79 S80	T72-K76 WeakPolarHBondContact O-CG 3.49Å; T72-K76 PolarHBondContact O-N 3.41Å; K73-K76 PolarHBondContact O-N 3.39Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.07Å; K76-E79 PolarHBondContact O-N 3.11Å; K76-S80 PolarHBondContact O-N 3.23Å; K76-S80 PolarHBondContact O-OG 3.08Å
77	E	96.8	Very high	95.2	Very high	83 Å²	83	65.1 Å²	65.1	39%	0.388	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-33.6	175.4	-71.2	173.3	-177.9	0	0	112.2	N12 K73 A74 I75 A81	N12-E77 PolarHBondContact ND2-O 3.45Å; K73-E77 WeakPolarHBondContact CE-OE1 3.36Å; K73-E77 WeakPolarHBondContact O-CG 3.47Å; K73-E77 PolarHBondContact O-N 3.32Å; A74-E77 PolarHBondContact O-N 3.02Å; I75-E77 VanDerWaalsContact C-N 3.32Å; I75-E77 PolarHBondContact O-N 3.19Å; E77-A81 WeakPolarHBondContact O-CB 3.49Å; E77-A81 PolarHBondContact O-N 3Å; E77-A81 VanDerWaalsContact O-N 3.17Å
78	L	97.4	Very high	95.2	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-72.3	-41.9	174.3	-179.6	58.9	0	0	0	112	L9 N12 T13 V16 A74 I75 K76 A81 A82 A97 L100 L101	L9-L78 HydrophobicContact CD1-CD1 3.86Å; N12-L78 HydrophobicContact CB-CB 4.19Å; N12-L78 HydrophobicContact CB-CD1 3.84Å; T13-L78 WeakPolarHBondContact OG1-CD1 3.45Å; V16-L78 HydrophobicContact CB-CD2 4.3Å; V16-L78 HydrophobicContact CG2-CB 4.11Å; V16-L78 HydrophobicContact CG2-CD2 3.92Å; A74-L78 WeakPolarHBondContact O-CB 3.42Å; A74-L78 PolarHBondContact O-N 3.33Å; I75-L78 CarbonylContact O-C 3.57Å; I75-L78 WeakPolarHBondContact O-CA 3.44Å; I75-L78 WeakPolarHBondContact O-CB 3.11Å; I75-L78 PolarHBondContact O-N 3.39Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.07Å; L78-A81 PolarHBondContact O-N 3.02Å; L78-A82 WeakPolarHBondContact O-CB 3.46Å; L78-A82 PolarHBondContact O-N 3.14Å; L78-A97 HydrophobicContact CD1-CB 3.84Å; L78-L100 HydrophobicContact CD2-CD2 4.03Å; L78-L101 HydrophobicContact CB-CD2 4.16Å; L78-L101 HydrophobicContact CD2-CD2 3.81Å; L78-L101 HydrophobicContact CD2-CG 3.89Å; L78-L101 HydrophobicContact CG-CD1 4.23Å; L78-L101 HydrophobicContact CG-CD2 3.92Å; L78-L101 HydrophobicContact CG-CG 4.04Å
79	E	96.6	Very high	95.2	Very high	70 Å²	70	68.4 Å²	68.4	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-57.4	-51.7	174.6	-71.3	171.8	157.8	0	0	110.7	I75 K76 A81 A82 E83 L101	I75-E79 HydrophobicContact CG2-CG 4.31Å; I75-E79 WeakPolarHBondContact O-CG 3.48Å; I75-E79 PolarHBondContact O-N 3.47Å; K76-E79 PolarHBondContact O-N 3.11Å; E79-A81 VanDerWaalsContact C-N 3.32Å; E79-A81 PolarHBondContact O-N 3.48Å; E79-A82 WeakPolarHBondContact O-CB 3.4Å; E79-A82 PolarHBondContact O-N 3.32Å; E79-A82 VanDerWaalsContact O-N 3.1Å; E79-E83 WeakPolarHBondContact O-CG 3.39Å; E79-E83 PolarHBondContact O-N 3.45Å; E79-L101 HydrophobicContact CG-CD1 4.02Å; E79-L101 HydrophobicContact CG-CD2 3.61Å; E79-L101 HydrophobicContact CG-CG 4.45Å
80	S	96.4	Very high	95.2	Very high	63 Å²	63	68.3 Å²	68.3	44%	0.441	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-39.5	177.3	-58.6	0	0	0	0	112.6	K76 A82 E83 E84	K76-S80 PolarHBondContact O-N 3.23Å; K76-S80 PolarHBondContact O-OG 3.08Å; S80-A82 VanDerWaalsContact C-N 3.33Å; S80-A82 PolarHBondContact O-N 3.23Å; S80-E83 PolarHBondContact O-N 3.12Å; S80-E84 WeakPolarHBondContact O-CG 3.39Å; S80-E84 PolarHBondContact O-N 3.43Å
81	A	95.8	Very high	95.1	Very high	7 Å²	7	66.5 Å²	66.5	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-33.9	176.3	0	0	0	0	0	112.6	L9 E77 L78 E79 C85	L9-A81 HydrophobicContact CD1-CB 3.9Å; E77-A81 WeakPolarHBondContact O-CB 3.49Å; E77-A81 PolarHBondContact O-N 3Å; E77-A81 VanDerWaalsContact O-N 3.17Å; L78-A81 PolarHBondContact O-N 3.02Å; E79-A81 VanDerWaalsContact C-N 3.32Å; E79-A81 PolarHBondContact O-N 3.48Å; A81-C85 WeakPolarHBondContact O-CB 3.37Å; A81-C85 PolarHBondContact O-N 2.82Å; A81-C85 PolarHBondContact O-SG 2.95Å
82	A	95.7	Very high	95.1	Very high	8 Å²	8	71.4 Å²	71.4	7%	0.066	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-43.8	175.9	0	0	0	0	0	110.9	L9 L78 E79 S80 E84 C85 E86 Y94 L101	L9-A82 HydrophobicContact CD1-CB 4.04Å; L78-A82 WeakPolarHBondContact O-CB 3.46Å; L78-A82 PolarHBondContact O-N 3.14Å; E79-A82 WeakPolarHBondContact O-CB 3.4Å; E79-A82 PolarHBondContact O-N 3.32Å; E79-A82 VanDerWaalsContact O-N 3.1Å; S80-A82 VanDerWaalsContact C-N 3.33Å; S80-A82 PolarHBondContact O-N 3.23Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.37Å; A82-C85 CarbonylContact O-C 3.36Å; A82-C85 WeakPolarHBondContact O-CA 3.43Å; A82-C85 PolarHBondContact O-N 3.46Å; A82-E86 PolarHBondContact O-N 3.01Å; A82-Y94 HydrophobicContact CB-CE2 4.37Å; A82-Y94 WeakPolarHBondContact O-CE2 3.45Å; A82-L101 HydrophobicContact CB-CD1 4.36Å
83	E	95.2	Very high	95.1	Very high	133 Å²	133	71.1 Å²	71.1	62%	0.621	34%	0.341	S	S	*	.	H	α-helix	trans	-57.3	-39	174.8	-70.5	175	179.9	0	0	112.4	E79 S80 C85 E86	E79-E83 WeakPolarHBondContact O-CG 3.39Å; E79-E83 PolarHBondContact O-N 3.45Å; S80-E83 PolarHBondContact O-N 3.12Å; E83-C85 PolarHBondContact O-N 2.91Å; E83-E86 WeakPolarHBondContact O-CG 3.42Å
84	E	94.4	Very high	95.1	Very high	121 Å²	121	65.8 Å²	65.8	57%	0.565	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.4	174.9	-70.2	-179.4	-168.8	0	0	114	R5 S80 A82	R5-E84 PolarHBondContact NH1-O 3.39Å; S80-E84 WeakPolarHBondContact O-CG 3.39Å; S80-E84 PolarHBondContact O-N 3.43Å; A82-E84 VanDerWaalsContact C-N 3.28Å; A82-E84 PolarHBondContact O-N 3.37Å
85	C	93.4	Very high	95	Very high	1 Å²	1	70 Å²	70	1%	0.007	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	14.3	-177.1	-65.3	0	0	0	0	113.5	R5 L9 A81 A82 E83 E87 F88 Y94	R5-C85 VanDerWaalsContact CB-SG 3.55Å; L9-C85 HydrophobicContact CD2-CB 4.01Å; A81-C85 WeakPolarHBondContact O-CB 3.37Å; A81-C85 PolarHBondContact O-N 2.82Å; A81-C85 PolarHBondContact O-SG 2.95Å; A82-C85 CarbonylContact O-C 3.36Å; A82-C85 WeakPolarHBondContact O-CA 3.43Å; A82-C85 PolarHBondContact O-N 3.46Å; E83-C85 PolarHBondContact O-N 2.91Å; C85-E87 PolarHBondContact O-N 3.45Å; C85-E87 VanDerWaalsContact O-N 3.11Å; C85-F88 HydrophobicContact CB-CD2 4.08Å; C85-F88 WeakPolarHBondContact O-CA 3.45Å; C85-F88 WeakPolarHBondContact O-CB 3.49Å; C85-F88 PolarHBondContact O-N 3.03Å; C85-Y94 HydrophobicContact CB-CD2 4Å; C85-Y94 HydrophobicContact CB-CE2 4.36Å; C85-Y94 VanDerWaalsContact O-CD2 3.3Å; C85-Y94 WeakPolarHBondContact O-CD2 3.48Å; C85-Y94 WeakPolarHBondContact O-CE2 3.43Å
86	E	92.8	Very high	95	Very high	80 Å²	80	72.3 Å²	72.3	37%	0.374	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-50.2	-35.5	-179	-79.7	-78.5	151.8	0	0	114.1	A82 E83 F88 R89 Y94	A82-E86 PolarHBondContact O-N 3.01Å; E83-E86 WeakPolarHBondContact O-CG 3.42Å; E86-F88 PolarHBondContact O-N 3.17Å; E86-R89 WeakPolarHBondContact O-CD 3.35Å; E86-R89 WeakPolarHBondContact O-CG 3.19Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 IonicContact OE1-CZ 2.73Å; E86-R89 IonicContact OE1-NE 2.91Å; E86-R89 IonicContact OE1-NH2 3.9Å; E86-R89 PolarHBondContact OE1-NH2 3.3Å; E86-R89 IonicContact OE2-CZ 3.04Å; E86-R89 IonicContact OE2-NE 3.3Å; E86-R89 PolarHBondContact OE2-NE 3.07Å; E86-R89 IonicContact OE2-NH2 2.79Å; E86-R89 PolarHBondContact OE2-NH2 2.94Å; E86-Y94 PolarHBondContact OE1-OH 2.91Å; E86-Y94 VanDerWaalsContact OE1-OH 3.1Å
87	E	92.9	Very high	95	Very high	133 Å²	133	66.2 Å²	66.2	62%	0.621	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-70	-12.3	176.6	67.9	-172.9	144.9	0	0	114.1	R5 C85	R5-E87 IonicContact CZ-OE1 2.95Å; R5-E87 IonicContact NH1-OE1 3.26Å; R5-E87 PolarHBondContact NH1-OE1 3.34Å; R5-E87 IonicContact NH2-OE1 3.55Å; R5-E87 PolarHBondContact NH2-OE1 3.06Å; C85-E87 PolarHBondContact O-N 3.45Å; C85-E87 VanDerWaalsContact O-N 3.11Å
88	F	93	Very high	95	Very high	42 Å²	42	66 Å²	66	18%	0.184	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-104.4	19.9	178.4	-55	-68.4	0	0	0	113.2	D3 L6 C85 E86 D90 T91 Y94	D3-F88 HydrophobicContact CB-CE2 4.42Å; D3-F88 HydrophobicContact CB-CZ 4.02Å; D3-F88 VanDerWaalsContact OD2-CZ 3.32Å; D3-F88 WeakPolarHBondContact OD2-CZ 3.34Å; L6-F88 HydrophobicContact CD1-CD1 4.02Å; L6-F88 HydrophobicContact CD1-CD2 4.46Å; L6-F88 HydrophobicContact CD1-CE1 4.32Å; L6-F88 HydrophobicContact CD1-CG 4.1Å; L6-F88 HydrophobicContact CD2-CB 3.67Å; L6-F88 HydrophobicContact CD2-CD2 3.94Å; L6-F88 HydrophobicContact CD2-CG 3.82Å; L6-F88 HydrophobicContact CG-CB 4.39Å; L6-F88 HydrophobicContact CG-CD1 4.4Å; L6-F88 HydrophobicContact CG-CD2 3.97Å; L6-F88 HydrophobicContact CG-CE2 4.34Å; L6-F88 HydrophobicContact CG-CG 4.01Å; C85-F88 HydrophobicContact CB-CD2 4.08Å; C85-F88 WeakPolarHBondContact O-CA 3.45Å; C85-F88 WeakPolarHBondContact O-CB 3.49Å; C85-F88 PolarHBondContact O-N 3.03Å; E86-F88 PolarHBondContact O-N 3.17Å; F88-D90 PolarHBondContact O-N 3.36Å; F88-T91 HydrophobicContact CB-CG2 3.87Å; F88-T91 HydrophobicContact CD1-CG2 4.37Å; F88-T91 WeakPolarHBondContact O-CB 3.21Å; F88-T91 WeakPolarHBondContact O-CG2 3.35Å; F88-T91 PolarHBondContact O-N 3.19Å; F88-T91 PolarHBondContact O-OG1 3.48Å; F88-Y94 WeakPolarHBondContact O-CB 3.5Å
89	R	93.2	Very high	94.9	Very high	113 Å²	113	69.1 Å²	69.1	43%	0.426	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-30.5	178.1	-86.9	170	179.8	-84.5	1.2	114.9	E86 T91 Y94 K95 E98	E86-R89 WeakPolarHBondContact O-CD 3.35Å; E86-R89 WeakPolarHBondContact O-CG 3.19Å; E86-R89 PolarHBondContact O-N 3.39Å; E86-R89 IonicContact OE1-CZ 2.73Å; E86-R89 IonicContact OE1-NE 2.91Å; E86-R89 IonicContact OE1-NH2 3.9Å; E86-R89 PolarHBondContact OE1-NH2 3.3Å; E86-R89 IonicContact OE2-CZ 3.04Å; E86-R89 IonicContact OE2-NE 3.3Å; E86-R89 PolarHBondContact OE2-NE 3.07Å; E86-R89 IonicContact OE2-NH2 2.79Å; E86-R89 PolarHBondContact OE2-NH2 2.94Å; R89-T91 VanDerWaalsContact C-N 3.34Å; R89-Y94 HydrophobicContact CB-CD1 4.27Å; R89-Y94 HydrophobicContact CB-CE1 4.3Å; R89-Y94 HydrophobicContact CG-CD1 3.93Å; R89-Y94 HydrophobicContact CG-CD2 4.46Å; R89-Y94 HydrophobicContact CG-CE1 3.49Å; R89-Y94 VanDerWaalsContact CG-CE1 3.49Å; R89-Y94 HydrophobicContact CG-CE2 4.03Å; R89-Y94 HydrophobicContact CG-CG 4.41Å; R89-K95 WeakPolarHBondContact O-CE 3.3Å; R89-E98 IonicContact NH1-OE1 2.68Å
90	D	93.5	Very high	94.8	Very high	144 Å²	144	66 Å²	66	77%	0.77	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.4	180	-70.7	-41.4	0	0	0	114.4	F88 K95	F88-D90 PolarHBondContact O-N 3.36Å; D90-K95 PolarHBondContact O-NZ 2.97Å
91	T	94.7	Very high	94.8	Very high	36 Å²	36	64 Å²	64	22%	0.221	31%	0.309	C	S	.	.	S	Bend	trans	-73.3	153.4	179.1	66.6	0	0	0	0	112	L6 F88 R89 E93 Y94 K95	L6-T91 HydrophobicContact CD1-CG2 4.36Å; F88-T91 HydrophobicContact CB-CG2 3.87Å; F88-T91 HydrophobicContact CD1-CG2 4.37Å; F88-T91 WeakPolarHBondContact O-CB 3.21Å; F88-T91 WeakPolarHBondContact O-CG2 3.35Å; F88-T91 PolarHBondContact O-N 3.19Å; F88-T91 PolarHBondContact O-OG1 3.48Å; R89-T91 VanDerWaalsContact C-N 3.34Å; T91-E93 VanDerWaalsContact C-N 3.31Å; T91-Y94 PolarHBondContact O-N 2.66Å; T91-Y94 WeakPolarHBondContact OG1-CB 3.5Å; T91-Y94 PolarHBondContact OG1-N 3.19Å; T91-K95 WeakPolarHBondContact O-CG 3.36Å; T91-K95 PolarHBondContact O-N 2.83Å
92	E	94.4	Very high	94.7	Very high	113 Å²	113	68.3 Å²	68.3	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-38.1	178.6	-178.9	58.1	-155.9	0	0	111	Y94 K95 Q96	E92-Y94 VanDerWaalsContact C-N 3.33Å; E92-Y94 PolarHBondContact O-N 2.89Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-Q96 HydrophobicContact CG-CG 4.41Å; E92-Q96 WeakPolarHBondContact O-CB 3.32Å; E92-Q96 VanDerWaalsContact O-CG 3.25Å; E92-Q96 WeakPolarHBondContact O-CG 3.34Å; E92-Q96 PolarHBondContact O-N 3.43Å; E92-Q96 WeakPolarHBondContact OE1-CG 3.41Å; E92-Q96 PolarHBondContact OE1-NE2 3.13Å
93	E	94.3	Very high	94.6	Very high	67 Å²	67	72.9 Å²	72.9	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-43.5	177.8	-64.1	87.9	161.2	0	0	111.8	L6 T91 A97	L6-E93 HydrophobicContact CD2-CB 4.24Å; T91-E93 VanDerWaalsContact C-N 3.31Å; E93-A97 PolarHBondContact O-N 3.32Å; E93-A97 VanDerWaalsContact O-N 3.13Å
94	Y	96.3	Very high	94.3	Very high	8 Å²	8	66.7 Å²	66.7	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-48.2	177.2	-170.6	-76.8	0	0	0	111.9	L9 A82 C85 E86 F88 R89 T91 E92 Q96 A97 E98	L9-Y94 HydrophobicContact CD2-CD2 4.24Å; A82-Y94 HydrophobicContact CB-CE2 4.37Å; A82-Y94 WeakPolarHBondContact O-CE2 3.45Å; C85-Y94 HydrophobicContact CB-CD2 4Å; C85-Y94 HydrophobicContact CB-CE2 4.36Å; C85-Y94 VanDerWaalsContact O-CD2 3.3Å; C85-Y94 WeakPolarHBondContact O-CD2 3.48Å; C85-Y94 WeakPolarHBondContact O-CE2 3.43Å; E86-Y94 PolarHBondContact OE1-OH 2.91Å; E86-Y94 VanDerWaalsContact OE1-OH 3.1Å; F88-Y94 WeakPolarHBondContact O-CB 3.5Å; R89-Y94 HydrophobicContact CB-CD1 4.27Å; R89-Y94 HydrophobicContact CB-CE1 4.3Å; R89-Y94 HydrophobicContact CG-CD1 3.93Å; R89-Y94 HydrophobicContact CG-CD2 4.46Å; R89-Y94 HydrophobicContact CG-CE1 3.49Å; R89-Y94 VanDerWaalsContact CG-CE1 3.49Å; R89-Y94 HydrophobicContact CG-CE2 4.03Å; R89-Y94 HydrophobicContact CG-CG 4.41Å; T91-Y94 PolarHBondContact O-N 2.66Å; T91-Y94 WeakPolarHBondContact OG1-CB 3.5Å; T91-Y94 PolarHBondContact OG1-N 3.19Å; E92-Y94 VanDerWaalsContact C-N 3.33Å; E92-Y94 PolarHBondContact O-N 2.89Å; Y94-Q96 VanDerWaalsContact C-N 3.27Å; Y94-Q96 PolarHBondContact O-N 2.89Å; Y94-A97 WeakPolarHBondContact O-CB 3.41Å; Y94-A97 PolarHBondContact O-N 2.82Å; Y94-A97 VanDerWaalsContact O-N 3.08Å; Y94-E98 HydrophobicContact CD1-CB 4.4Å; Y94-E98 HydrophobicContact CE1-CB 4.17Å; Y94-E98 PolarHBondContact O-N 2.88Å
95	K	96.3	Very high	94	Very high	94 Å²	94	65.2 Å²	65.2	41%	0.409	32%	0.315	S	S	.	.	H	α-helix	trans	-59.7	-38.4	179.4	-71.2	168.6	179.2	159.3	0	112.1	R89 D90 T91 E92 C99	R89-K95 WeakPolarHBondContact O-CE 3.3Å; D90-K95 PolarHBondContact O-NZ 2.97Å; T91-K95 WeakPolarHBondContact O-CG 3.36Å; T91-K95 PolarHBondContact O-N 2.83Å; E92-K95 PolarHBondContact O-N 3.37Å; K95-C99 WeakPolarHBondContact O-CB 3.48Å; K95-C99 PolarHBondContact O-N 2.88Å
96	Q	96.1	Very high	93.5	Very high	74 Å²	74	70.7 Å²	70.7	35%	0.346	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-39.3	175.1	-73.1	179.6	12	0	0	112.8	E92 Y94 L100	E92-Q96 HydrophobicContact CG-CG 4.41Å; E92-Q96 WeakPolarHBondContact O-CB 3.32Å; E92-Q96 VanDerWaalsContact O-CG 3.25Å; E92-Q96 WeakPolarHBondContact O-CG 3.34Å; E92-Q96 PolarHBondContact O-N 3.43Å; E92-Q96 WeakPolarHBondContact OE1-CG 3.41Å; E92-Q96 PolarHBondContact OE1-NE2 3.13Å; Y94-Q96 VanDerWaalsContact C-N 3.27Å; Y94-Q96 PolarHBondContact O-N 2.89Å; Q96-L100 WeakPolarHBondContact O-CB 3.38Å; Q96-L100 PolarHBondContact O-N 3.45Å; Q96-L100 VanDerWaalsContact O-N 3.13Å
97	A	96.8	Very high	92.5	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-48.9	174.8	0	0	0	0	0	111.3	L9 L78 E93 Y94 L100 L101	L9-A97 HydrophobicContact CD1-CB 3.74Å; L9-A97 HydrophobicContact CD2-CB 4.18Å; L9-A97 HydrophobicContact CG-CB 3.89Å; L78-A97 HydrophobicContact CD1-CB 3.84Å; E93-A97 PolarHBondContact O-N 3.32Å; E93-A97 VanDerWaalsContact O-N 3.13Å; Y94-A97 WeakPolarHBondContact O-CB 3.41Å; Y94-A97 PolarHBondContact O-N 2.82Å; Y94-A97 VanDerWaalsContact O-N 3.08Å; A97-L100 PolarHBondContact O-N 3.49Å; A97-L101 WeakPolarHBondContact O-CG 3.2Å; A97-L101 PolarHBondContact O-N 3.01Å
98	E	95.7	Very high	90.9	Very high	78 Å²	78	69.4 Å²	69.4	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-61	-46.7	179	-172.8	176.1	-125.2	0	0	111.4	R89 Y94 L100 L101 Q102	R89-E98 IonicContact NH1-OE1 2.68Å; Y94-E98 HydrophobicContact CD1-CB 4.4Å; Y94-E98 HydrophobicContact CE1-CB 4.17Å; Y94-E98 PolarHBondContact O-N 2.88Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.37Å; E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 3.35Å
99	C	95.5	Very high	88.4	Confident	67 Å²	67	75.3 Å²	75.3	45%	0.453	40%	0.401	S	S	.	.	H	α-helix	trans	-57	-45.2	176	-179.1	0	0	0	0	111.8	K95 Q102 E103	K95-C99 WeakPolarHBondContact O-CB 3.48Å; K95-C99 PolarHBondContact O-N 2.88Å; C99-Q102 PolarHBondContact O-N 3.29Å; C99-E103 WeakPolarHBondContact O-CG 3.4Å; C99-E103 PolarHBondContact O-N 3.19Å
100	L	95.6	Very high	88.1	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	40%	0.4	C	S	.	.	H	α-helix	trans	-66.4	-37.9	178.5	-172.7	65.9	0	0	0	112.8	T13 V16 K17 L20 L78 Q96 A97 E98 E103 C104	T13-L100 HydrophobicContact CG2-CD2 3.76Å; T13-L100 VanDerWaalsContact O-CD2 3.31Å; T13-L100 WeakPolarHBondContact O-CD2 3.48Å; V16-L100 HydrophobicContact CB-CD2 3.66Å; V16-L100 HydrophobicContact CG1-CD1 4.44Å; V16-L100 HydrophobicContact CG1-CD2 3.58Å; V16-L100 HydrophobicContact CG1-CG 3.89Å; K17-L100 HydrophobicContact CG-CD1 3.94Å; K17-L100 HydrophobicContact CG-CD2 3.68Å; K17-L100 HydrophobicContact CG-CG 4.48Å; L20-L100 HydrophobicContact CD1-CD1 3.67Å; L78-L100 HydrophobicContact CD2-CD2 4.03Å; Q96-L100 WeakPolarHBondContact O-CB 3.38Å; Q96-L100 PolarHBondContact O-N 3.45Å; Q96-L100 VanDerWaalsContact O-N 3.13Å; A97-L100 PolarHBondContact O-N 3.49Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.19Å; L100-E103 PolarHBondContact O-N 3.11Å; L100-C104 PolarHBondContact O-N 2.91Å; L100-C104 PolarHBondContact O-SG 3.17Å
101	L	95.6	Very high	87.9	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-43.3	175	-72.8	173.3	0	0	0	110.9	I75 L78 E79 A82 A97 E98 E103 C104 L105	I75-L101 HydrophobicContact CG2-CD2 3.9Å; L78-L101 HydrophobicContact CB-CD2 4.16Å; L78-L101 HydrophobicContact CD2-CD2 3.81Å; L78-L101 HydrophobicContact CD2-CG 3.89Å; L78-L101 HydrophobicContact CG-CD1 4.23Å; L78-L101 HydrophobicContact CG-CD2 3.92Å; L78-L101 HydrophobicContact CG-CG 4.04Å; E79-L101 HydrophobicContact CG-CD1 4.02Å; E79-L101 HydrophobicContact CG-CD2 3.61Å; E79-L101 HydrophobicContact CG-CG 4.45Å; A82-L101 HydrophobicContact CB-CD1 4.36Å; A97-L101 WeakPolarHBondContact O-CG 3.2Å; A97-L101 PolarHBondContact O-N 3.01Å; E98-L101 PolarHBondContact O-N 3.37Å; L101-E103 PolarHBondContact O-N 2.8Å; L101-C104 WeakPolarHBondContact O-CB 3.11Å; L101-C104 PolarHBondContact O-N 3.32Å; L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 3.32Å
102	Q	94.1	Very high	87.5	Confident	99 Å²	99	71.6 Å²	71.6	46%	0.463	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.1	-65.3	-56	-43.5	0	0	112.2	E98 C99 C104 L105 N106	E98-Q102 WeakPolarHBondContact O-CG 3.45Å; E98-Q102 PolarHBondContact O-N 3.35Å; C99-Q102 PolarHBondContact O-N 3.29Å; Q102-C104 VanDerWaalsContact C-N 3.34Å; Q102-C104 PolarHBondContact O-N 3.36Å; Q102-L105 PolarHBondContact O-N 2.98Å; Q102-N106 VanDerWaalsContact O-CG 3.25Å; Q102-N106 PolarHBondContact O-N 2.99Å; Q102-N106 PolarHBondContact O-ND2 3.14Å; Q102-N106 VanDerWaalsContact O-ND2 3.07Å
103	E	92.2	Very high	87.1	Confident	104 Å²	104	69.1 Å²	69.1	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-57.8	-45.9	173.2	-73.7	176.3	-173.4	0	0	111.7	C99 L100 L101 L105 N106 T107	C99-E103 WeakPolarHBondContact O-CG 3.4Å; C99-E103 PolarHBondContact O-N 3.19Å; L100-E103 PolarHBondContact O-N 3.11Å; L101-E103 PolarHBondContact O-N 2.8Å; E103-L105 PolarHBondContact O-N 3.1Å; E103-N106 PolarHBondContact O-N 3.24Å; E103-T107 WeakPolarHBondContact O-CG2 3.43Å; E103-T107 PolarHBondContact O-N 3.1Å; E103-T107 VanDerWaalsContact O-N 3.11Å; E103-T107 PolarHBondContact O-OG1 3.01Å
104	C	90.5	Very high	86.6	Confident	3 Å²	3	69.3 Å²	69.3	2%	0.02	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-42.4	178.1	-66.1	0	0	0	0	112.6	I75 L100 L101 Q102 T107 S108	I75-C104 HydrophobicContact CD1-CB 3.65Å; I75-C104 HydrophobicContact CG1-CB 4.19Å; L100-C104 PolarHBondContact O-N 2.91Å; L100-C104 PolarHBondContact O-SG 3.17Å; L101-C104 WeakPolarHBondContact O-CB 3.11Å; L101-C104 PolarHBondContact O-N 3.32Å; Q102-C104 VanDerWaalsContact C-N 3.34Å; Q102-C104 PolarHBondContact O-N 3.36Å; C104-T107 PolarHBondContact O-N 2.63Å; C104-T107 PolarHBondContact O-OG1 2.67Å; C104-S108 PolarHBondContact O-OG 2.79Å; C104-S108 VanDerWaalsContact O-OG 3.1Å
105	L	86.8	Confident	86	Confident	89 Å²	89	73.3 Å²	73.3	47%	0.466	41%	0.409	S	S	.	.	H	α-helix	trans	-63.2	-42.9	177.4	-70.4	170.7	0	0	0	111.7	L101 Q102 E103 T107 S108	L101-L105 WeakPolarHBondContact O-CG 3.46Å; L101-L105 PolarHBondContact O-N 3.32Å; Q102-L105 PolarHBondContact O-N 2.98Å; E103-L105 PolarHBondContact O-N 3.1Å; L105-T107 VanDerWaalsContact C-N 3.32Å; L105-T107 PolarHBondContact O-N 2.66Å; L105-S108 PolarHBondContact O-N 3.36Å
106	N	83.1	Confident	85.2	Confident	116 Å²	116	71.9 Å²	71.9	62%	0.62	41%	0.409	S	S	*	.	H	α-helix	trans	-66.9	-31.3	179.5	-69.1	-33.2	0	0	0	112.9	Q102 E103 S108	Q102-N106 VanDerWaalsContact O-CG 3.25Å; Q102-N106 PolarHBondContact O-N 2.99Å; Q102-N106 PolarHBondContact O-ND2 3.14Å; Q102-N106 VanDerWaalsContact O-ND2 3.07Å; E103-N106 PolarHBondContact O-N 3.24Å; N106-S108 PolarHBondContact O-N 2.68Å
107	T	72.4	Confident	84.4	Confident	86 Å²	86	71.7 Å²	71.7	53%	0.528	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.9	176.2	58.5	0	0	0	0	114.6	E103 C104 L105	E103-T107 WeakPolarHBondContact O-CG2 3.43Å; E103-T107 PolarHBondContact O-N 3.1Å; E103-T107 VanDerWaalsContact O-N 3.11Å; E103-T107 PolarHBondContact O-OG1 3.01Å; C104-T107 PolarHBondContact O-N 2.63Å; C104-T107 PolarHBondContact O-OG1 2.67Å; L105-T107 VanDerWaalsContact C-N 3.32Å; L105-T107 PolarHBondContact O-N 2.66Å
108	S	58.9	Low	83.4	Confident	100 Å²	100	77.7 Å²	77.7	70%	0.699	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	0.9	-177.9	-55.5	0	0	0	0	113.6	C104 L105 N106	C104-S108 PolarHBondContact O-OG 2.79Å; C104-S108 VanDerWaalsContact O-OG 3.1Å; L105-S108 PolarHBondContact O-N 3.36Å; N106-S108 PolarHBondContact O-N 2.68Å
109	S	40.3	Very low	82.3	Confident	166 Å²	166	77.6 Å²	77.6	100%	1.161	46%	0.456	S	S	*	.			trans	-105.5	0	173.4	-60.5	0	0	0	0	111.1

Retrieved 109 of 109 residues in 189.1 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).