A0A087Y2L0_POEFO Loading...

Mediator of RNA polymerase II transcription subunit 22

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A087Y2L0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 201 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	33	Very low	58.1	Low	245 Å²	245	132.8 Å²	132.8	100%	1.207	70%	0.703	S	S	*	*				0	138.4	0	-59.2	171.4	-168.9	0	0	107.1	N3	M1-N3 PolarHBondContact O-N 2.87Å
2	A	36.8	Very low	60.5	Low	100 Å²	100	129.8 Å²	129.8	83%	0.826	68%	0.682	S	S	*	*			trans	-77.6	119.6	176	0	0	0	0	0	109.4	Q4	A2-Q4 PolarHBondContact O-N 2.78Å; A2-Q4 VanDerWaalsContact O-N 3.12Å
3	N	38.2	Very low	62.8	Low	156 Å²	156	124.8 Å²	124.8	83%	0.834	66%	0.661	S	S	*	*			trans	-65.4	112.3	170.5	-97.6	-2.8	0	0	0	108.5	M1 R5	M1-N3 PolarHBondContact O-N 2.87Å; N3-R5 VanDerWaalsContact C-N 3.29Å; N3-R5 PolarHBondContact O-N 2.91Å
4	Q	40.2	Very low	64.8	Low	186 Å²	186	120.6 Å²	120.6	87%	0.869	64%	0.638	S	S	*	*			trans	-64.4	96.5	161.3	-75.4	-173.7	-12.4	0	0	107.5	A2 V6	A2-Q4 PolarHBondContact O-N 2.78Å; A2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-V6 VanDerWaalsContact C-N 3.31Å; Q4-V6 PolarHBondContact O-N 3.29Å
5	R	59.9	Low	66.7	Low	183 Å²	183	115.7 Å²	115.7	69%	0.691	61%	0.612	S	S	*	*			trans	-61.1	96.7	167.5	-81.8	178.8	165.6	166.7	-6.7	107.1	N3 L7 S93	N3-R5 VanDerWaalsContact C-N 3.29Å; N3-R5 PolarHBondContact O-N 2.91Å; R5-L7 PolarHBondContact O-N 3.16Å; R5-L7 VanDerWaalsContact O-N 3.11Å; R5-S93 PolarHBondContact NH1-OG 3.14Å; R5-S93 PolarHBondContact NH2-OG 2.91Å
6	V	57.4	Low	68.4	Low	135 Å²	135	115.4 Å²	115.4	82%	0.818	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-54.1	118.5	174.1	178.4	0	0	0	0	107.6	Q4	Q4-V6 VanDerWaalsContact C-N 3.31Å; Q4-V6 PolarHBondContact O-N 3.29Å
7	L	63	Low	70	Confident	75 Å²	75	114.1 Å²	114.1	39%	0.393	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-66.2	133.2	-179.9	-78.3	159.1	0	0	0	108.8	R5 Q9 K11 L15	R5-L7 PolarHBondContact O-N 3.16Å; R5-L7 VanDerWaalsContact O-N 3.11Å; L7-Q9 PolarHBondContact O-N 3.21Å; L7-K11 HydrophobicContact CD2-CB 4.21Å; L7-K11 HydrophobicContact CD2-CD 3.9Å; L7-L15 HydrophobicContact CD1-CD1 4.24Å
8	P	74.9	Confident	71.5	Confident	72 Å²	72	109.3 Å²	109.3	47%	0.468	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-51.6	136.9	169.2	-27.9	34.9	0	0	0	110.7	S10 K11 E12	P8-S10 PolarHBondContact O-N 3.4Å; P8-K11 WeakPolarHBondContact O-CA 3.25Å; P8-K11 WeakPolarHBondContact O-CB 3.28Å; P8-K11 PolarHBondContact O-N 3.22Å; P8-E12 PolarHBondContact O-N 3.44Å
9	Q	70.7	Confident	72.9	Confident	156 Å²	156	108.1 Å²	108.1	73%	0.729	57%	0.566	S	S	*	*	H	α-helix	trans	-53.8	-29	-172.8	-169.2	179.1	7.4	0	0	113.6	L7 E12 T13	L7-Q9 PolarHBondContact O-N 3.21Å; Q9-E12 PolarHBondContact O-N 3.37Å; Q9-T13 WeakPolarHBondContact O-CB 3.41Å; Q9-T13 PolarHBondContact O-N 3.23Å; Q9-T13 PolarHBondContact O-OG1 2.89Å
10	S	81.4	Confident	74.1	Confident	89 Å²	89	109.1 Å²	109.1	62%	0.622	57%	0.566	S	S	*	*	H	α-helix	trans	-66.1	-40.6	171.9	53	0	0	0	0	113.6	P8 L14	P8-S10 PolarHBondContact O-N 3.4Å; S10-L14 WeakPolarHBondContact O-CB 3.3Å; S10-L14 PolarHBondContact O-N 3.46Å
11	K	84	Confident	75.3	Confident	64 Å²	64	107.2 Å²	107.2	28%	0.278	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-39.8	173.1	-66.9	-166.2	-178.8	179.2	0	111.1	L7 P8 L14 L15 F85 N89	L7-K11 HydrophobicContact CD2-CB 4.21Å; L7-K11 HydrophobicContact CD2-CD 3.9Å; P8-K11 WeakPolarHBondContact O-CA 3.25Å; P8-K11 WeakPolarHBondContact O-CB 3.28Å; P8-K11 PolarHBondContact O-N 3.22Å; K11-L14 WeakPolarHBondContact O-CB 3.42Å; K11-L14 PolarHBondContact O-N 2.66Å; K11-L15 WeakPolarHBondContact O-CG 3.42Å; K11-L15 PolarHBondContact O-N 2.69Å; K11-F85 HydrophobicContact CB-CE2 4.34Å; K11-F85 HydrophobicContact CD-CE2 4.28Å; K11-F85 HydrophobicContact CG-CE2 4.34Å; K11-N89 PolarHBondContact NZ-OD1 3.42Å
12	E	86.7	Confident	78.4	Confident	97 Å²	97	99 Å²	99	45%	0.453	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-47.1	176.7	-165.4	-172.9	164.6	0	0	111.2	P8 Q9 L14 L15 Q16	P8-E12 PolarHBondContact O-N 3.44Å; Q9-E12 PolarHBondContact O-N 3.37Å; E12-L14 VanDerWaalsContact C-N 3.26Å; E12-L14 PolarHBondContact O-N 2.92Å; E12-L15 PolarHBondContact O-N 3.13Å; E12-L15 VanDerWaalsContact O-N 3.12Å; E12-Q16 WeakPolarHBondContact O-CG 3.29Å; E12-Q16 PolarHBondContact O-N 3.25Å; E12-Q16 PolarHBondContact OE1-NE2 3.04Å; E12-Q16 VanDerWaalsContact OE1-NE2 3.15Å
13	T	90.2	Very high	81.3	Confident	65 Å²	65	100.8 Å²	100.8	40%	0.399	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-37.8	175.8	-60.2	0	0	0	0	111.5	Q9 Q16 N17	Q9-T13 WeakPolarHBondContact O-CB 3.41Å; Q9-T13 PolarHBondContact O-N 3.23Å; Q9-T13 PolarHBondContact O-OG1 2.89Å; T13-Q16 PolarHBondContact O-N 3.26Å; T13-N17 PolarHBondContact O-N 2.9Å; T13-N17 PolarHBondContact O-ND2 3.1Å
14	L	91.4	Very high	84.2	Confident	66 Å²	66	97.5 Å²	97.5	35%	0.346	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-47.2	174.1	-176.8	64	0	0	0	112	S10 K11 E12 Q16 N17 Y18 F85	S10-L14 WeakPolarHBondContact O-CB 3.3Å; S10-L14 PolarHBondContact O-N 3.46Å; K11-L14 WeakPolarHBondContact O-CB 3.42Å; K11-L14 PolarHBondContact O-N 2.66Å; E12-L14 VanDerWaalsContact C-N 3.26Å; E12-L14 PolarHBondContact O-N 2.92Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 3.42Å; L14-N17 PolarHBondContact O-N 3.37Å; L14-Y18 HydrophobicContact CD1-CD1 4.43Å; L14-Y18 HydrophobicContact CD1-CE1 3.73Å; L14-Y18 HydrophobicContact CD1-CE2 4.32Å; L14-Y18 HydrophobicContact CD2-CE2 4.21Å; L14-Y18 HydrophobicContact CG-CD2 4.45Å; L14-Y18 HydrophobicContact CG-CE1 4.17Å; L14-Y18 HydrophobicContact CG-CE2 3.84Å; L14-Y18 PolarHBondContact O-N 2.96Å; L14-F85 HydrophobicContact CD2-CD2 3.93Å; L14-F85 HydrophobicContact CD2-CE2 4.3Å
15	L	92.5	Very high	87	Confident	47 Å²	47	89.7 Å²	89.7	25%	0.246	45%	0.448	C	S	.	.	H	α-helix	trans	-65.2	-33.4	177.5	-68.6	171.6	0	0	0	112.9	L7 K11 E12 Y18 N19 F85	L7-L15 HydrophobicContact CD1-CD1 4.24Å; K11-L15 WeakPolarHBondContact O-CG 3.42Å; K11-L15 PolarHBondContact O-N 2.69Å; E12-L15 PolarHBondContact O-N 3.13Å; E12-L15 VanDerWaalsContact O-N 3.12Å; L15-Y18 HydrophobicContact CD2-CD2 4.16Å; L15-N19 WeakPolarHBondContact O-CB 3.45Å; L15-N19 PolarHBondContact O-N 2.97Å; L15-N19 PolarHBondContact O-ND2 3.04Å; L15-F85 HydrophobicContact CD1-CE1 4.48Å; L15-F85 HydrophobicContact CD1-CZ 4.03Å; L15-F85 HydrophobicContact CD2-CD1 4.36Å; L15-F85 HydrophobicContact CD2-CE1 3.91Å; L15-F85 HydrophobicContact CD2-CE2 4.48Å; L15-F85 HydrophobicContact CD2-CZ 3.96Å; L15-F85 HydrophobicContact CG-CZ 4.11Å
16	Q	94.6	Very high	88.8	Confident	111 Å²	111	85.3 Å²	85.3	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-66.5	-42	171.6	-69.7	177.8	14.5	0	0	111.4	E12 T13 L14 N19 K20	E12-Q16 WeakPolarHBondContact O-CG 3.29Å; E12-Q16 PolarHBondContact O-N 3.25Å; E12-Q16 PolarHBondContact OE1-NE2 3.04Å; E12-Q16 VanDerWaalsContact OE1-NE2 3.15Å; T13-Q16 PolarHBondContact O-N 3.26Å; L14-Q16 VanDerWaalsContact C-N 3.33Å; L14-Q16 PolarHBondContact O-N 3.42Å; Q16-N19 PolarHBondContact O-N 3.03Å; Q16-K20 PolarHBondContact O-N 3.23Å
17	N	95.6	Very high	90.8	Very high	92 Å²	92	84.2 Å²	84.2	49%	0.492	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-40	175	-81.7	-72.6	0	0	0	112.7	T13 L14 K20 R21	T13-N17 PolarHBondContact O-N 2.9Å; T13-N17 PolarHBondContact O-ND2 3.1Å; L14-N17 PolarHBondContact O-N 3.37Å; N17-K20 PolarHBondContact O-N 3.45Å; N17-R21 WeakPolarHBondContact O-CB 3.43Å; N17-R21 PolarHBondContact O-N 3.21Å
18	Y	97.3	Very high	92.5	Very high	29 Å²	29	82.3 Å²	82.3	11%	0.114	41%	0.414	C	S	.	.	H	α-helix	trans	-59.7	-44.8	171.5	-68.3	-18.1	0	0	0	111.9	L14 L15 K20 R21 L22 L78 D81 L82 F85	L14-Y18 HydrophobicContact CD1-CD1 4.43Å; L14-Y18 HydrophobicContact CD1-CE1 3.73Å; L14-Y18 HydrophobicContact CD1-CE2 4.32Å; L14-Y18 HydrophobicContact CD2-CE2 4.21Å; L14-Y18 HydrophobicContact CG-CD2 4.45Å; L14-Y18 HydrophobicContact CG-CE1 4.17Å; L14-Y18 HydrophobicContact CG-CE2 3.84Å; L14-Y18 PolarHBondContact O-N 2.96Å; L15-Y18 HydrophobicContact CD2-CD2 4.16Å; Y18-K20 PolarHBondContact O-N 3.11Å; Y18-R21 PolarHBondContact O-N 3.44Å; Y18-L22 WeakPolarHBondContact O-CB 3.44Å; Y18-L22 PolarHBondContact O-N 2.8Å; Y18-L78 HydrophobicContact CD1-CD1 3.46Å; Y18-L78 VanDerWaalsContact CD1-CD1 3.46Å; Y18-L78 HydrophobicContact CE1-CD1 4.2Å; Y18-L78 HydrophobicContact CG-CD1 3.75Å; Y18-D81 HydrophobicContact CE1-CB 3.83Å; Y18-L82 HydrophobicContact CD2-CD2 3.57Å; Y18-L82 HydrophobicContact CD2-CG 4.26Å; Y18-L82 HydrophobicContact CE2-CD2 4Å; Y18-L82 HydrophobicContact CG-CD2 4.37Å; Y18-F85 HydrophobicContact CE2-CB 4.38Å
19	N	97.3	Very high	93.6	Very high	86 Å²	86	81.3 Å²	81.3	46%	0.46	40%	0.404	S	S	.	.	H	α-helix	trans	-63.4	-38	175.6	-92.8	-90.7	0	0	0	113.1	L15 Q16 K23	L15-N19 WeakPolarHBondContact O-CB 3.45Å; L15-N19 PolarHBondContact O-N 2.97Å; L15-N19 PolarHBondContact O-ND2 3.04Å; Q16-N19 PolarHBondContact O-N 3.03Å; N19-K23 WeakPolarHBondContact O-CG 3.1Å; N19-K23 PolarHBondContact O-N 3.15Å
20	K	97.9	Very high	95	Very high	128 Å²	128	79 Å²	79	56%	0.557	40%	0.395	S	S	*	.	H	α-helix	trans	-64.6	-55.3	175.5	178.8	179.2	174	-174.3	0	110.5	Q16 N17 Y18 L22 K23 D24	Q16-K20 PolarHBondContact O-N 3.23Å; N17-K20 PolarHBondContact O-N 3.45Å; Y18-K20 PolarHBondContact O-N 3.11Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 2.87Å; K20-K23 WeakPolarHBondContact O-CB 3.33Å; K20-K23 PolarHBondContact O-N 2.65Å; K20-D24 WeakPolarHBondContact CE-OD2 3.38Å; K20-D24 VanDerWaalsContact CG-OD2 3.32Å; K20-D24 WeakPolarHBondContact CG-OD2 3.35Å; K20-D24 PolarHBondContact O-N 3.27Å
21	R	98	Very high	95.8	Very high	70 Å²	70	77.6 Å²	77.6	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-44.1	-179.9	179	167.9	157.8	-147.3	-5.9	112.3	N17 Y18 K23 D24 D25 S74 K77 L78 D81	N17-R21 WeakPolarHBondContact O-CB 3.43Å; N17-R21 PolarHBondContact O-N 3.21Å; Y18-R21 PolarHBondContact O-N 3.44Å; R21-K23 VanDerWaalsContact C-N 3.32Å; R21-K23 PolarHBondContact O-N 2.88Å; R21-D24 PolarHBondContact O-N 2.84Å; R21-D25 VanDerWaalsContact CG-OD2 3.28Å; R21-D25 WeakPolarHBondContact CG-OD2 3.32Å; R21-D25 WeakPolarHBondContact O-CB 3.45Å; R21-D25 PolarHBondContact O-N 2.85Å; R21-S74 PolarHBondContact NE-OG 3.49Å; R21-S74 PolarHBondContact NH2-O 2.98Å; R21-K77 VanDerWaalsContact NH2-CB 3.26Å; R21-L78 HydrophobicContact CG-CD2 4.45Å; R21-D81 IonicContact CZ-OD2 2.71Å; R21-D81 IonicContact NH1-OD2 2.61Å; R21-D81 PolarHBondContact NH1-OD2 3.19Å; R21-D81 IonicContact NH2-OD2 2.75Å; R21-D81 PolarHBondContact NH2-OD2 2.78Å
22	L	98.6	Very high	96.5	Very high	71 Å²	71	75.4 Å²	75.4	37%	0.372	37%	0.372	S	S	.	.	H	α-helix	trans	-54.2	-45.8	173.7	-179.7	61.4	0	0	0	112.7	Y18 K20 I26 L75 L78	Y18-L22 WeakPolarHBondContact O-CB 3.44Å; Y18-L22 PolarHBondContact O-N 2.8Å; K20-L22 VanDerWaalsContact C-N 3.31Å; K20-L22 PolarHBondContact O-N 2.87Å; L22-I26 HydrophobicContact CD1-CD1 3.63Å; L22-I26 HydrophobicContact CD1-CG1 4.35Å; L22-I26 HydrophobicContact CG-CD1 4.01Å; L22-I26 WeakPolarHBondContact O-CB 3.44Å; L22-I26 WeakPolarHBondContact O-CD1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.3Å; L22-I26 PolarHBondContact O-N 2.95Å; L22-I26 VanDerWaalsContact O-N 3.11Å; L22-L75 HydrophobicContact CD1-CD2 3.7Å; L22-L78 HydrophobicContact CB-CD2 3.87Å; L22-L78 HydrophobicContact CD1-CD2 4.37Å
23	K	98.5	Very high	97.1	Very high	138 Å²	138	76.8 Å²	76.8	60%	0.6	38%	0.377	S	S	*	.	H	α-helix	trans	-71.2	-43.4	180	-69.2	169.9	-175.9	179.6	0	111.8	N19 K20 R21 K27	N19-K23 WeakPolarHBondContact O-CG 3.1Å; N19-K23 PolarHBondContact O-N 3.15Å; K20-K23 WeakPolarHBondContact O-CB 3.33Å; K20-K23 PolarHBondContact O-N 2.65Å; R21-K23 VanDerWaalsContact C-N 3.32Å; R21-K23 PolarHBondContact O-N 2.88Å; K23-K27 WeakPolarHBondContact O-CB 3.31Å; K23-K27 PolarHBondContact O-N 3.4Å
24	D	98.6	Very high	97.4	Very high	87 Å²	87	76.7 Å²	76.7	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-64.3	-44.1	-179.6	-66.4	-9.9	0	0	0	110.9	K20 R21 S28	K20-D24 WeakPolarHBondContact CE-OD2 3.38Å; K20-D24 VanDerWaalsContact CG-OD2 3.32Å; K20-D24 WeakPolarHBondContact CG-OD2 3.35Å; K20-D24 PolarHBondContact O-N 3.27Å; R21-D24 PolarHBondContact O-N 2.84Å; D24-S28 WeakPolarHBondContact O-CB 3.36Å; D24-S28 PolarHBondContact O-N 2.86Å
25	D	98.6	Very high	97.7	Very high	23 Å²	23	76.3 Å²	76.3	12%	0.123	37%	0.373	C	S	.	.	H	α-helix	trans	-68.5	-45.4	177.4	-75.1	-45	0	0	0	112.4	R21 K27 S28 I29 A71 S74 L75	R21-D25 VanDerWaalsContact CG-OD2 3.28Å; R21-D25 WeakPolarHBondContact CG-OD2 3.32Å; R21-D25 WeakPolarHBondContact O-CB 3.45Å; R21-D25 PolarHBondContact O-N 2.85Å; D25-K27 VanDerWaalsContact C-N 3.33Å; D25-K27 PolarHBondContact O-N 3.33Å; D25-S28 WeakPolarHBondContact O-CB 3.3Å; D25-S28 PolarHBondContact O-N 3.36Å; D25-I29 WeakPolarHBondContact O-CG1 3.1Å; D25-I29 PolarHBondContact O-N 3.42Å; D25-A71 HydrophobicContact CB-CB 4.24Å; D25-S74 WeakPolarHBondContact OD1-CB 3.41Å; D25-S74 PolarHBondContact OD1-OG 3.04Å; D25-S74 WeakPolarHBondContact OD2-CB 3.39Å; D25-S74 PolarHBondContact OD2-OG 2.79Å; D25-L75 HydrophobicContact CB-CD1 4.33Å; D25-L75 HydrophobicContact CB-CD2 3.73Å; D25-L75 HydrophobicContact CB-CG 3.81Å
26	I	98.6	Very high	97.9	Very high	91 Å²	91	75.9 Å²	75.9	47%	0.467	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.9	-72.4	171.6	0	0	0	110.9	L22 I29 M30 L75	L22-I26 HydrophobicContact CD1-CD1 3.63Å; L22-I26 HydrophobicContact CD1-CG1 4.35Å; L22-I26 HydrophobicContact CG-CD1 4.01Å; L22-I26 WeakPolarHBondContact O-CB 3.44Å; L22-I26 WeakPolarHBondContact O-CD1 3.23Å; L22-I26 WeakPolarHBondContact O-CG1 3.3Å; L22-I26 PolarHBondContact O-N 2.95Å; L22-I26 VanDerWaalsContact O-N 3.11Å; I26-I29 PolarHBondContact O-N 3.02Å; I26-M30 PolarHBondContact O-N 3.37Å; I26-L75 HydrophobicContact CG1-CD1 4.27Å
27	K	98.6	Very high	98	Very high	111 Å²	111	74.3 Å²	74.3	48%	0.483	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-44	175.2	177.4	163.8	173.6	51.5	0	111.2	K23 D25 I29 M30 D31	K23-K27 WeakPolarHBondContact O-CB 3.31Å; K23-K27 PolarHBondContact O-N 3.4Å; D25-K27 VanDerWaalsContact C-N 3.33Å; D25-K27 PolarHBondContact O-N 3.33Å; K27-I29 VanDerWaalsContact C-N 3.33Å; K27-I29 PolarHBondContact O-N 3.43Å; K27-M30 PolarHBondContact O-N 2.99Å; K27-D31 VanDerWaalsContact CE-OD2 3.23Å; K27-D31 WeakPolarHBondContact CE-OD2 3.33Å; K27-D31 VanDerWaalsContact CG-OD2 3.31Å; K27-D31 WeakPolarHBondContact CG-OD2 3.32Å; K27-D31 IonicContact NZ-OD1 2.65Å; K27-D31 PolarHBondContact NZ-OD1 2.74Å; K27-D31 IonicContact NZ-OD2 2.66Å; K27-D31 PolarHBondContact NZ-OD2 2.77Å; K27-D31 WeakPolarHBondContact O-CB 3.41Å; K27-D31 PolarHBondContact O-N 3.03Å
28	S	98.6	Very high	97.9	Very high	35 Å²	35	75.3 Å²	75.3	25%	0.245	37%	0.368	C	S	.	.	H	α-helix	trans	-57.3	-44.1	175.8	-175.4	0	0	0	0	112.1	D24 D25 N32	D24-S28 WeakPolarHBondContact O-CB 3.36Å; D24-S28 PolarHBondContact O-N 2.86Å; D25-S28 WeakPolarHBondContact O-CB 3.3Å; D25-S28 PolarHBondContact O-N 3.36Å; S28-N32 WeakPolarHBondContact O-CB 3.21Å; S28-N32 PolarHBondContact O-N 3.13Å; S28-N32 PolarHBondContact O-ND2 2.91Å; S28-N32 PolarHBondContact OG-ND2 3.4Å
29	I	98.8	Very high	97.6	Very high	51 Å²	51	75 Å²	75	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-50.4	176.5	-67.7	166.9	0	0	0	110.9	D25 I26 K27 F33 I68 A71 L75	D25-I29 WeakPolarHBondContact O-CG1 3.1Å; D25-I29 PolarHBondContact O-N 3.42Å; I26-I29 PolarHBondContact O-N 3.02Å; K27-I29 VanDerWaalsContact C-N 3.33Å; K27-I29 PolarHBondContact O-N 3.43Å; I29-F33 VanDerWaalsContact O-CB 3.3Å; I29-F33 WeakPolarHBondContact O-CB 3.33Å; I29-F33 PolarHBondContact O-N 3.28Å; I29-I68 HydrophobicContact CG1-CG2 4.4Å; I29-I68 HydrophobicContact CG2-CG2 4.2Å; I29-A71 HydrophobicContact CD1-CB 4.03Å; I29-A71 HydrophobicContact CG1-CB 3.62Å; I29-L75 HydrophobicContact CD1-CD1 3.81Å
30	M	98.7	Very high	97.2	Very high	107 Å²	107	74 Å²	74	53%	0.527	37%	0.373	S	S	.	.	H	α-helix	trans	-63	-46	-178.4	-176.1	-175.9	70	0	0	112.3	I26 K27 T34	I26-M30 PolarHBondContact O-N 3.37Å; K27-M30 PolarHBondContact O-N 2.99Å; M30-T34 VanDerWaalsContact O-CB 3.29Å; M30-T34 WeakPolarHBondContact O-CB 3.34Å; M30-T34 PolarHBondContact O-N 3.2Å; M30-T34 PolarHBondContact O-OG1 3.37Å
31	D	98.6	Very high	96.7	Very high	60 Å²	60	74.6 Å²	74.6	32%	0.321	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-49	-179.5	-68.2	-8.6	0	0	0	110.5	K27 F33 T34 E35	K27-D31 VanDerWaalsContact CE-OD2 3.23Å; K27-D31 WeakPolarHBondContact CE-OD2 3.33Å; K27-D31 VanDerWaalsContact CG-OD2 3.31Å; K27-D31 WeakPolarHBondContact CG-OD2 3.32Å; K27-D31 IonicContact NZ-OD1 2.65Å; K27-D31 PolarHBondContact NZ-OD1 2.74Å; K27-D31 IonicContact NZ-OD2 2.66Å; K27-D31 PolarHBondContact NZ-OD2 2.77Å; K27-D31 WeakPolarHBondContact O-CB 3.41Å; K27-D31 PolarHBondContact O-N 3.03Å; D31-F33 PolarHBondContact O-N 2.98Å; D31-T34 PolarHBondContact O-N 3.16Å; D31-E35 WeakPolarHBondContact O-CG 3.36Å; D31-E35 PolarHBondContact O-N 3.48Å; D31-E35 VanDerWaalsContact O-N 3.1Å
32	N	98.6	Very high	95.7	Very high	18 Å²	18	79 Å²	79	10%	0.096	40%	0.402	C	S	.	.	H	α-helix	trans	-63.1	-40.1	178.6	-78.6	-86.8	0	0	0	112.1	S28 E35 I36 R64 N67 I68	S28-N32 WeakPolarHBondContact O-CB 3.21Å; S28-N32 PolarHBondContact O-N 3.13Å; S28-N32 PolarHBondContact O-ND2 2.91Å; S28-N32 PolarHBondContact OG-ND2 3.4Å; N32-E35 PolarHBondContact O-N 3.05Å; N32-I36 WeakPolarHBondContact O-CG1 3.49Å; N32-I36 PolarHBondContact O-N 3.32Å; N32-R64 HydrophobicContact CB-CB 4.25Å; N32-R64 WeakPolarHBondContact OD1-CA 3.47Å; N32-N67 WeakPolarHBondContact OD1-CB 3.45Å; N32-N67 PolarHBondContact OD1-ND2 2.9Å; N32-N67 VanDerWaalsContact OD1-ND2 3.11Å; N32-I68 HydrophobicContact CB-CD1 4.06Å; N32-I68 HydrophobicContact CB-CG1 3.7Å
33	F	98.6	Very high	94.6	Very high	126 Å²	126	82 Å²	82	55%	0.553	42%	0.415	S	S	*	.	H	α-helix	trans	-67.2	-43.6	177.2	179.4	-99.4	0	0	0	112.3	I29 D31 E35 I36 V37 I68	I29-F33 VanDerWaalsContact O-CB 3.3Å; I29-F33 WeakPolarHBondContact O-CB 3.33Å; I29-F33 PolarHBondContact O-N 3.28Å; D31-F33 PolarHBondContact O-N 2.98Å; F33-E35 PolarHBondContact O-N 3.32Å; F33-I36 PolarHBondContact O-N 3.46Å; F33-V37 HydrophobicContact CD1-CG2 4.44Å; F33-V37 HydrophobicContact CE1-CG2 3.97Å; F33-V37 HydrophobicContact CE2-CG2 4.41Å; F33-V37 HydrophobicContact CZ-CG2 3.95Å; F33-V37 WeakPolarHBondContact O-CG2 3.22Å; F33-V37 PolarHBondContact O-N 2.95Å; F33-V37 VanDerWaalsContact O-N 3.13Å; F33-I68 HydrophobicContact CB-CD1 4.07Å
34	T	98.1	Very high	93.4	Very high	64 Å²	64	82.3 Å²	82.3	39%	0.393	42%	0.423	S	S	.	.	H	α-helix	trans	-55.5	-38.1	175.4	-61.4	0	0	0	0	111.2	M30 D31 K38	M30-T34 VanDerWaalsContact O-CB 3.29Å; M30-T34 WeakPolarHBondContact O-CB 3.34Å; M30-T34 PolarHBondContact O-N 3.2Å; M30-T34 PolarHBondContact O-OG1 3.37Å; D31-T34 PolarHBondContact O-N 3.16Å; T34-K38 PolarHBondContact O-N 2.91Å
35	E	97.2	Very high	92.2	Very high	58 Å²	58	85.4 Å²	85.4	27%	0.271	44%	0.435	S	S	.	.	H	α-helix	trans	-77.3	-39.2	-179.2	-62.4	-92	111.5	0	0	112.7	D31 N32 F33 V37 K38 T39 R64	D31-E35 WeakPolarHBondContact O-CG 3.36Å; D31-E35 PolarHBondContact O-N 3.48Å; D31-E35 VanDerWaalsContact O-N 3.1Å; N32-E35 PolarHBondContact O-N 3.05Å; F33-E35 PolarHBondContact O-N 3.32Å; E35-V37 PolarHBondContact O-N 3.12Å; E35-K38 WeakPolarHBondContact O-CA 3.4Å; E35-K38 WeakPolarHBondContact O-CB 3.43Å; E35-K38 PolarHBondContact O-N 3.35Å; E35-K38 WeakPolarHBondContact OE1-CD 3.43Å; E35-K38 WeakPolarHBondContact OE1-CE 3.47Å; E35-K38 IonicContact OE1-NZ 2.91Å; E35-K38 PolarHBondContact OE1-NZ 2.9Å; E35-T39 PolarHBondContact O-N 3.48Å; E35-T39 PolarHBondContact O-OG1 2.92Å; E35-T39 VanDerWaalsContact O-OG1 3.04Å; E35-R64 VanDerWaalsContact CG-NH1 3.27Å; E35-R64 IonicContact OE2-CZ 2.77Å; E35-R64 VanDerWaalsContact OE2-CZ 3.28Å; E35-R64 IonicContact OE2-NH1 3.47Å; E35-R64 PolarHBondContact OE2-NH1 3.35Å; E35-R64 IonicContact OE2-NH2 3.32Å; E35-R64 PolarHBondContact OE2-NH2 3.13Å
36	I	96.9	Very high	91.3	Very high	37 Å²	37	87.8 Å²	87.8	19%	0.19	45%	0.45	C	S	.	.	H	α-helix	trans	-54.1	-40.3	170.3	-68.4	165.2	0	0	0	110.5	N32 F33 K38 T39 A40 M61 R64 A65 I68	N32-I36 WeakPolarHBondContact O-CG1 3.49Å; N32-I36 PolarHBondContact O-N 3.32Å; F33-I36 PolarHBondContact O-N 3.46Å; I36-K38 VanDerWaalsContact C-N 3.29Å; I36-K38 PolarHBondContact O-N 3Å; I36-T39 PolarHBondContact O-N 3.23Å; I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.47Å; I36-A40 PolarHBondContact O-N 2.89Å; I36-M61 HydrophobicContact CG2-CG 4.38Å; I36-R64 HydrophobicContact CD1-CB 3.79Å; I36-R64 HydrophobicContact CG1-CB 3.59Å; I36-R64 HydrophobicContact CG1-CG 4.46Å; I36-A65 HydrophobicContact CD1-CB 4.49Å; I36-I68 HydrophobicContact CD1-CD1 3.79Å
37	V	96.1	Very high	90.5	Very high	78 Å²	78	93.5 Å²	93.5	47%	0.473	48%	0.475	S	S	.	.	H	α-helix	trans	-69.2	-22.6	176.4	175	0	0	0	0	113	F33 E35	F33-V37 HydrophobicContact CD1-CG2 4.44Å; F33-V37 HydrophobicContact CE1-CG2 3.97Å; F33-V37 HydrophobicContact CE2-CG2 4.41Å; F33-V37 HydrophobicContact CZ-CG2 3.95Å; F33-V37 WeakPolarHBondContact O-CG2 3.22Å; F33-V37 PolarHBondContact O-N 2.95Å; F33-V37 VanDerWaalsContact O-N 3.13Å; E35-V37 PolarHBondContact O-N 3.12Å
38	K	93.6	Very high	89.8	Confident	114 Å²	114	91.1 Å²	91.1	50%	0.496	47%	0.469	S	S	.	.	H	α-helix	trans	-77.6	-52.3	169.5	-66.8	173.8	-173.2	173.6	0	111	T34 E35 I36 A40 K41	T34-K38 PolarHBondContact O-N 2.91Å; E35-K38 WeakPolarHBondContact O-CA 3.4Å; E35-K38 WeakPolarHBondContact O-CB 3.43Å; E35-K38 PolarHBondContact O-N 3.35Å; E35-K38 WeakPolarHBondContact OE1-CD 3.43Å; E35-K38 WeakPolarHBondContact OE1-CE 3.47Å; E35-K38 IonicContact OE1-NZ 2.91Å; E35-K38 PolarHBondContact OE1-NZ 2.9Å; I36-K38 VanDerWaalsContact C-N 3.29Å; I36-K38 PolarHBondContact O-N 3Å; K38-A40 PolarHBondContact O-N 3.33Å; K38-A40 VanDerWaalsContact O-N 3.14Å; K38-K41 VanDerWaalsContact O-CB 3.3Å; K38-K41 WeakPolarHBondContact O-CB 3.45Å; K38-K41 PolarHBondContact O-N 3.11Å
39	T	90.9	Very high	89.4	Confident	22 Å²	22	92.7 Å²	92.7	14%	0.135	48%	0.481	C	S	.	.	H	α-helix	trans	-61.3	-22.2	-179.6	-41	0	0	0	0	112	E35 I36 K41 D57 E60 M61	E35-T39 PolarHBondContact O-N 3.48Å; E35-T39 PolarHBondContact O-OG1 2.92Å; E35-T39 VanDerWaalsContact O-OG1 3.04Å; I36-T39 PolarHBondContact O-N 3.23Å; T39-K41 VanDerWaalsContact C-N 3.29Å; T39-K41 PolarHBondContact O-N 2.98Å; T39-D57 HydrophobicContact CG2-CB 3.69Å; T39-E60 PolarHBondContact OG1-OE1 3.46Å; T39-M61 VanDerWaalsContact C-CE 3.42Å; T39-M61 HydrophobicContact CG2-CE 4Å; T39-M61 HydrophobicContact CG2-CG 4.34Å; T39-M61 WeakPolarHBondContact O-CE 3.28Å
40	A	89.1	Confident	88.9	Confident	66 Å²	66	95 Å²	95	55%	0.545	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.4	172.7	0	0	0	0	0	114.9	I36 K38 M61	I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.47Å; I36-A40 PolarHBondContact O-N 2.89Å; K38-A40 PolarHBondContact O-N 3.33Å; K38-A40 VanDerWaalsContact O-N 3.14Å; A40-M61 HydrophobicContact CB-CE 3.92Å
41	K	87.4	Confident	88.5	Confident	139 Å²	139	94.6 Å²	94.6	60%	0.604	49%	0.491	S	S	*	.	S	Bend	trans	-84.6	133.6	174.3	-70.1	-174.6	172.3	-173.1	0	111.2	K38 T39 E43	K38-K41 VanDerWaalsContact O-CB 3.3Å; K38-K41 WeakPolarHBondContact O-CB 3.45Å; K38-K41 PolarHBondContact O-N 3.11Å; T39-K41 VanDerWaalsContact C-N 3.29Å; T39-K41 PolarHBondContact O-N 2.98Å; K41-E43 HydrophobicContact CB-CG 4.46Å; K41-E43 PolarHBondContact O-N 3.46Å
42	I	76.6	Confident	88.1	Confident	162 Å²	162	95.5 Å²	95.5	83%	0.831	50%	0.499	S	S	*	.			trans	-80.6	104.4	167.4	-56.3	172.3	0	0	0	107.6
43	E	76	Confident	87.7	Confident	136 Å²	136	96.6 Å²	96.6	64%	0.636	50%	0.504	S	S	*	.			trans	-89.7	178	171.6	-56.9	-161.9	153.8	0	0	111.2	K41 R50	K41-E43 HydrophobicContact CB-CG 4.46Å; K41-E43 PolarHBondContact O-N 3.46Å; E43-R50 VanDerWaalsContact O-CZ 3.29Å; E43-R50 PolarHBondContact O-NH1 2.8Å; E43-R50 PolarHBondContact O-NH2 3.11Å
44	D	73.9	Confident	87.3	Confident	143 Å²	143	93.3 Å²	93.3	77%	0.765	50%	0.5	S	S	*	.	S	Bend	trans	-65.7	174.6	177.7	-74.7	-49.5	0	0	0	112.8	T46 R50	D44-T46 PolarHBondContact O-N 3.35Å; D44-R50 PolarHBondContact O-NH2 3.37Å
45	E	72.2	Confident	87	Confident	153 Å²	153	95.6 Å²	95.6	72%	0.715	51%	0.506	S	S	*	.			trans	-66	118.3	-179.6	-62.8	-112.5	108.5	0	0	110.8	R50	E45-R50 VanDerWaalsContact OE1-CG 3.25Å; E45-R50 WeakPolarHBondContact OE1-CG 3.48Å; E45-R50 IonicContact OE1-CZ 3.86Å; E45-R50 IonicContact OE1-NE 2.74Å; E45-R50 PolarHBondContact OE1-NE 2.94Å; E45-R50 IonicContact OE1-NH2 3.99Å
46	T	80.4	Confident	86.8	Confident	73 Å²	73	97.8 Å²	97.8	45%	0.448	52%	0.516	S	S	.	.			trans	-83.4	-177.7	171.6	72.1	0	0	0	0	110.2	D44 V48	D44-T46 PolarHBondContact O-N 3.35Å; T46-V48 PolarHBondContact O-N 3.47Å; T46-V48 PolarHBondContact OG1-N 3.1Å; T46-V48 VanDerWaalsContact OG1-N 3.16Å; T46-V48 PolarHBondContact OG1-O 3.35Å
47	Q	81.6	Confident	86.6	Confident	210 Å²	210	97.8 Å²	97.8	98%	0.981	52%	0.516	S	S	*	.	S	Bend	trans	-71.8	-0.6	170.9	-63.8	-174.4	-2.2	0	0	113.4
48	V	84.6	Confident	86.5	Confident	61 Å²	61	98.6 Å²	98.6	37%	0.37	52%	0.515	S	S	.	.	S	Bend	trans	-108.6	139.5	-178.3	178	0	0	0	0	109.3	T46 T52 Q53	T46-V48 PolarHBondContact O-N 3.47Å; T46-V48 PolarHBondContact OG1-N 3.1Å; T46-V48 VanDerWaalsContact OG1-N 3.16Å; T46-V48 PolarHBondContact OG1-O 3.35Å; V48-T52 HydrophobicContact CG1-CG2 3.82Å; V48-Q53 HydrophobicContact CG1-CB 4.4Å
49	S	89.8	Confident	86.7	Confident	69 Å²	69	99.8 Å²	99.8	48%	0.483	52%	0.517	S	S	.	.			trans	-64.7	142	-178.9	88.7	0	0	0	0	111.7	P51 T52 Q53	S49-P51 VanDerWaalsContact C-N 3.35Å; S49-T52 WeakPolarHBondContact O-CB 3.32Å; S49-T52 PolarHBondContact O-N 3.5Å; S49-T52 PolarHBondContact OG-OG1 3.42Å; S49-Q53 PolarHBondContact O-N 3.03Å
50	R	87.2	Confident	86.9	Confident	99 Å²	99	101.6 Å²	101.6	37%	0.374	52%	0.524	S	S	.	.	H	α-helix	trans	-49.7	-43	-177.9	-67	-67	-169.8	166.4	4.4	114.5	E43 D44 E45 Q53 A54	E43-R50 VanDerWaalsContact O-CZ 3.29Å; E43-R50 PolarHBondContact O-NH1 2.8Å; E43-R50 PolarHBondContact O-NH2 3.11Å; D44-R50 PolarHBondContact O-NH2 3.37Å; E45-R50 VanDerWaalsContact OE1-CG 3.25Å; E45-R50 WeakPolarHBondContact OE1-CG 3.48Å; E45-R50 IonicContact OE1-CZ 3.86Å; E45-R50 IonicContact OE1-NE 2.74Å; E45-R50 PolarHBondContact OE1-NE 2.94Å; E45-R50 IonicContact OE1-NH2 3.99Å; R50-Q53 PolarHBondContact O-N 3.41Å; R50-A54 WeakPolarHBondContact O-CB 3.48Å; R50-A54 PolarHBondContact O-N 3.37Å
51	P	90.3	Very high	87.3	Confident	98 Å²	98	101 Å²	101	64%	0.636	51%	0.511	S	S	*	.	H	α-helix	trans	-62.4	-42	174.8	-24.1	35.2	0	0	0	113.5	S49 A54 E55	S49-P51 VanDerWaalsContact C-N 3.35Å; P51-A54 PolarHBondContact O-N 3.14Å; P51-E55 PolarHBondContact O-N 3.19Å; P51-E55 VanDerWaalsContact O-N 3.15Å
52	T	91.4	Very high	87.8	Confident	79 Å²	79	99.6 Å²	99.6	49%	0.485	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-41.2	179.3	-47.3	0	0	0	0	111.7	V48 S49 E55 Q56	V48-T52 HydrophobicContact CG1-CG2 3.82Å; S49-T52 WeakPolarHBondContact O-CB 3.32Å; S49-T52 PolarHBondContact O-N 3.5Å; S49-T52 PolarHBondContact OG-OG1 3.42Å; T52-E55 PolarHBondContact O-N 3.16Å; T52-Q56 PolarHBondContact O-N 2.94Å; T52-Q56 VanDerWaalsContact O-N 3.12Å
53	Q	90.3	Very high	88.9	Confident	42 Å²	42	96.2 Å²	96.2	20%	0.196	49%	0.493	C	S	.	.	H	α-helix	trans	-62.3	-50.3	175.8	-172	63.9	63.3	0	0	110.6	V48 S49 R50 E55 Q56 D57	V48-Q53 HydrophobicContact CG1-CB 4.4Å; S49-Q53 PolarHBondContact O-N 3.03Å; R50-Q53 PolarHBondContact O-N 3.41Å; Q53-E55 VanDerWaalsContact C-N 3.26Å; Q53-E55 PolarHBondContact O-N 3.36Å; Q53-Q56 WeakPolarHBondContact O-CB 3.09Å; Q53-Q56 PolarHBondContact O-N 3.02Å; Q53-Q56 VanDerWaalsContact O-N 3.11Å; Q53-D57 PolarHBondContact NE2-OD1 2.93Å; Q53-D57 WeakPolarHBondContact O-CB 3.39Å; Q53-D57 PolarHBondContact O-N 3.37Å
54	A	89.1	Confident	89.9	Confident	57 Å²	57	91.9 Å²	91.9	47%	0.471	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-32.4	-179.4	0	0	0	0	0	113.7	R50 P51 H58	R50-A54 WeakPolarHBondContact O-CB 3.48Å; R50-A54 PolarHBondContact O-N 3.37Å; P51-A54 PolarHBondContact O-N 3.14Å; A54-H58 VanDerWaalsContact O-CB 3.3Å; A54-H58 WeakPolarHBondContact O-CB 3.37Å; A54-H58 PolarHBondContact O-N 3.48Å
55	E	93.4	Very high	91.1	Very high	111 Å²	111	87.1 Å²	87.1	52%	0.519	45%	0.451	S	S	.	.	H	α-helix	trans	-76	-37.8	175.6	-175	155.1	-142.8	0	0	112.5	P51 T52 Q53 H58 Y59	P51-E55 PolarHBondContact O-N 3.19Å; P51-E55 VanDerWaalsContact O-N 3.15Å; T52-E55 PolarHBondContact O-N 3.16Å; Q53-E55 VanDerWaalsContact C-N 3.26Å; Q53-E55 PolarHBondContact O-N 3.36Å; E55-H58 PolarHBondContact O-N 3.3Å; E55-Y59 HydrophobicContact CG-CD2 4.11Å; E55-Y59 HydrophobicContact CG-CE2 3.6Å; E55-Y59 WeakPolarHBondContact O-CD2 3.36Å; E55-Y59 PolarHBondContact O-N 3.49Å; E55-Y59 VanDerWaalsContact O-N 3.16Å
56	Q	92.4	Very high	92.3	Very high	105 Å²	105	82.7 Å²	82.7	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-59.7	-49.6	169	175.8	-179.3	-29.7	0	0	111.1	T52 Q53 H58 Y59 E60	T52-Q56 PolarHBondContact O-N 2.94Å; T52-Q56 VanDerWaalsContact O-N 3.12Å; Q53-Q56 WeakPolarHBondContact O-CB 3.09Å; Q53-Q56 PolarHBondContact O-N 3.02Å; Q53-Q56 VanDerWaalsContact O-N 3.11Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 3.03Å; Q56-Y59 PolarHBondContact O-N 3.31Å; Q56-E60 PolarHBondContact O-N 2.88Å
57	D	92.6	Very high	93.2	Very high	36 Å²	36	81.6 Å²	81.6	19%	0.193	43%	0.432	C	S	.	.	H	α-helix	trans	-57.2	-43.6	-180	-65	-16.6	0	0	0	111.1	T39 Q53 E60 M61	T39-D57 HydrophobicContact CG2-CB 3.69Å; Q53-D57 PolarHBondContact NE2-OD1 2.93Å; Q53-D57 WeakPolarHBondContact O-CB 3.39Å; Q53-D57 PolarHBondContact O-N 3.37Å; D57-E60 PolarHBondContact O-N 2.93Å; D57-M61 WeakPolarHBondContact O-CG 3.45Å; D57-M61 PolarHBondContact O-N 3.32Å
58	H	94.1	Very high	94	Very high	95 Å²	95	73.6 Å²	73.6	44%	0.44	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-48.5	175.8	173.1	-106.3	0	0	0	112.4	A54 E55 Q56 E60 M61 H62	A54-H58 VanDerWaalsContact O-CB 3.3Å; A54-H58 WeakPolarHBondContact O-CB 3.37Å; A54-H58 PolarHBondContact O-N 3.48Å; E55-H58 PolarHBondContact O-N 3.3Å; Q56-H58 VanDerWaalsContact C-N 3.29Å; Q56-H58 PolarHBondContact O-N 3.03Å; H58-E60 VanDerWaalsContact C-N 3.33Å; H58-E60 PolarHBondContact O-N 2.57Å; H58-M61 PolarHBondContact O-N 2.97Å; H58-H62 AromaticContact CD2-CD2 3.83Å; H58-H62 AromaticContact CD2-NE2 3.52Å; H58-H62 AromaticContact CE1-CD2 3.59Å; H58-H62 AromaticContact CE1-NE2 3.35Å; H58-H62 PolarHBondContact CE1-NE2 3.48Å; H58-H62 AromaticContact ND1-CD2 3.9Å; H58-H62 AromaticContact NE2-CD2 3.53Å; H58-H62 AromaticContact NE2-NE2 2.92Å; H58-H62 PolarHBondContact NE2-NE2 2.97Å; H58-H62 PolarHBondContact O-CD2 3Å; H58-H62 PolarHBondContact O-N 3.21Å; H58-H62 VanDerWaalsContact O-N 3.13Å
59	Y	96.7	Very high	94.7	Very high	139 Å²	139	75 Å²	75	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-38.1	176.4	-70.8	-55.3	0	0	0	112.4	E55 Q56 H62 V63	E55-Y59 HydrophobicContact CG-CD2 4.11Å; E55-Y59 HydrophobicContact CG-CE2 3.6Å; E55-Y59 WeakPolarHBondContact O-CD2 3.36Å; E55-Y59 PolarHBondContact O-N 3.49Å; E55-Y59 VanDerWaalsContact O-N 3.16Å; Q56-Y59 PolarHBondContact O-N 3.31Å; Y59-H62 PolarHBondContact O-N 3.5Å; Y59-V63 WeakPolarHBondContact O-CG2 3.4Å; Y59-V63 PolarHBondContact O-N 3.47Å; Y59-V63 VanDerWaalsContact O-N 3.14Å
60	E	95.9	Very high	95.1	Very high	60 Å²	60	80.2 Å²	80.2	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-63.9	-44.8	176.9	-162.9	-170.8	107.6	0	0	111.7	T39 Q56 D57 H58 H62 V63 R64	T39-E60 PolarHBondContact OG1-OE1 3.46Å; Q56-E60 PolarHBondContact O-N 2.88Å; D57-E60 PolarHBondContact O-N 2.93Å; H58-E60 VanDerWaalsContact C-N 3.33Å; H58-E60 PolarHBondContact O-N 2.57Å; E60-H62 VanDerWaalsContact C-N 3.34Å; E60-H62 PolarHBondContact O-N 3.28Å; E60-V63 PolarHBondContact O-N 3.44Å; E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 PolarHBondContact O-N 3.38Å; E60-R64 IonicContact OE1-CZ 2.88Å; E60-R64 IonicContact OE1-NE 3.04Å; E60-R64 PolarHBondContact OE1-NE 3.14Å; E60-R64 IonicContact OE1-NH2 3.28Å; E60-R64 PolarHBondContact OE1-NH2 3.11Å
61	M	97.7	Very high	95.7	Very high	55 Å²	55	75.6 Å²	75.6	27%	0.271	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-42.3	175	-73	-174.8	-165.3	0	0	112.3	I36 T39 A40 D57 H58 R64 A65	I36-M61 HydrophobicContact CG2-CG 4.38Å; T39-M61 VanDerWaalsContact C-CE 3.42Å; T39-M61 HydrophobicContact CG2-CE 4Å; T39-M61 HydrophobicContact CG2-CG 4.34Å; T39-M61 WeakPolarHBondContact O-CE 3.28Å; A40-M61 HydrophobicContact CB-CE 3.92Å; D57-M61 WeakPolarHBondContact O-CG 3.45Å; D57-M61 PolarHBondContact O-N 3.32Å; H58-M61 PolarHBondContact O-N 2.97Å; M61-R64 PolarHBondContact O-N 2.97Å; M61-A65 WeakPolarHBondContact O-CB 3.45Å; M61-A65 PolarHBondContact O-N 3.27Å
62	H	97.9	Very high	96.1	Very high	109 Å²	109	72 Å²	72	51%	0.505	38%	0.376	S	S	.	.	H	α-helix	trans	-62.3	-43.9	176.8	-81	-64.2	0	0	0	112.6	H58 Y59 E60 A65 A66	H58-H62 AromaticContact CD2-CD2 3.83Å; H58-H62 AromaticContact CD2-NE2 3.52Å; H58-H62 AromaticContact CE1-CD2 3.59Å; H58-H62 AromaticContact CE1-NE2 3.35Å; H58-H62 PolarHBondContact CE1-NE2 3.48Å; H58-H62 AromaticContact ND1-CD2 3.9Å; H58-H62 AromaticContact NE2-CD2 3.53Å; H58-H62 AromaticContact NE2-NE2 2.92Å; H58-H62 PolarHBondContact NE2-NE2 2.97Å; H58-H62 PolarHBondContact O-CD2 3Å; H58-H62 PolarHBondContact O-N 3.21Å; H58-H62 VanDerWaalsContact O-N 3.13Å; Y59-H62 PolarHBondContact O-N 3.5Å; E60-H62 VanDerWaalsContact C-N 3.34Å; E60-H62 PolarHBondContact O-N 3.28Å; H62-A65 PolarHBondContact O-N 3.46Å; H62-A66 WeakPolarHBondContact O-CB 3.16Å; H62-A66 PolarHBondContact O-N 3.11Å
63	V	98.4	Very high	96.4	Very high	90 Å²	90	72.5 Å²	72.5	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-43.2	176.9	172.8	0	0	0	0	111	Y59 E60 A66 N67	Y59-V63 WeakPolarHBondContact O-CG2 3.4Å; Y59-V63 PolarHBondContact O-N 3.47Å; Y59-V63 VanDerWaalsContact O-N 3.14Å; E60-V63 PolarHBondContact O-N 3.44Å; V63-A66 PolarHBondContact O-N 3.4Å; V63-N67 PolarHBondContact O-N 2.95Å; V63-N67 PolarHBondContact O-ND2 3.12Å
64	R	98.3	Very high	96.8	Very high	45 Å²	45	71.7 Å²	71.7	17%	0.17	37%	0.372	C	S	.	.	H	α-helix	trans	-65.5	-39.2	177.3	-67.4	175	-172.8	-81.4	17.7	112	N32 E35 I36 E60 M61 N67 I68	N32-R64 HydrophobicContact CB-CB 4.25Å; N32-R64 WeakPolarHBondContact OD1-CA 3.47Å; E35-R64 VanDerWaalsContact CG-NH1 3.27Å; E35-R64 IonicContact OE2-CZ 2.77Å; E35-R64 VanDerWaalsContact OE2-CZ 3.28Å; E35-R64 IonicContact OE2-NH1 3.47Å; E35-R64 PolarHBondContact OE2-NH1 3.35Å; E35-R64 IonicContact OE2-NH2 3.32Å; E35-R64 PolarHBondContact OE2-NH2 3.13Å; I36-R64 HydrophobicContact CD1-CB 3.79Å; I36-R64 HydrophobicContact CG1-CB 3.59Å; I36-R64 HydrophobicContact CG1-CG 4.46Å; E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 PolarHBondContact O-N 3.38Å; E60-R64 IonicContact OE1-CZ 2.88Å; E60-R64 IonicContact OE1-NE 3.04Å; E60-R64 PolarHBondContact OE1-NE 3.14Å; E60-R64 IonicContact OE1-NH2 3.28Å; E60-R64 PolarHBondContact OE1-NH2 3.11Å; M61-R64 PolarHBondContact O-N 2.97Å; R64-N67 PolarHBondContact O-N 3.15Å; R64-I68 WeakPolarHBondContact O-CG1 3.45Å; R64-I68 PolarHBondContact O-N 3.31Å; R64-I68 VanDerWaalsContact O-N 3.16Å
65	A	98.6	Very high	97.3	Very high	43 Å²	43	70.7 Å²	70.7	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-43.4	174.4	0	0	0	0	0	112.1	I36 M61 H62 N67 I68 V69	I36-A65 HydrophobicContact CD1-CB 4.49Å; M61-A65 WeakPolarHBondContact O-CB 3.45Å; M61-A65 PolarHBondContact O-N 3.27Å; H62-A65 PolarHBondContact O-N 3.46Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 2.91Å; A65-I68 WeakPolarHBondContact O-CB 3.45Å; A65-I68 PolarHBondContact O-N 2.89Å; A65-V69 PolarHBondContact O-N 3.46Å; A65-V69 VanDerWaalsContact O-N 3.1Å
66	A	98.6	Very high	97.5	Very high	60 Å²	60	72.4 Å²	72.4	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-61.6	-38.3	175.2	0	0	0	0	0	112.4	H62 V63 I68 V69 R70	H62-A66 WeakPolarHBondContact O-CB 3.16Å; H62-A66 PolarHBondContact O-N 3.11Å; V63-A66 PolarHBondContact O-N 3.4Å; A66-I68 PolarHBondContact O-N 3Å; A66-V69 PolarHBondContact O-N 3.44Å; A66-R70 WeakPolarHBondContact O-CB 3.47Å; A66-R70 PolarHBondContact O-N 2.93Å
67	N	98.6	Very high	97.8	Very high	51 Å²	51	72.7 Å²	72.7	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-62.5	-39.7	174.1	-73.6	-28.7	0	0	0	112.8	N32 V63 R64 A65 R70 A71	N32-N67 WeakPolarHBondContact OD1-CB 3.45Å; N32-N67 PolarHBondContact OD1-ND2 2.9Å; N32-N67 VanDerWaalsContact OD1-ND2 3.11Å; V63-N67 PolarHBondContact O-N 2.95Å; V63-N67 PolarHBondContact O-ND2 3.12Å; R64-N67 PolarHBondContact O-N 3.15Å; A65-N67 VanDerWaalsContact C-N 3.32Å; A65-N67 PolarHBondContact O-N 2.91Å; N67-R70 PolarHBondContact O-N 3.45Å; N67-A71 PolarHBondContact O-N 3.12Å
68	I	98.8	Very high	98	Very high	42 Å²	42	71.2 Å²	71.2	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-47.3	175.3	-68	165.3	0	0	0	110.4	I29 N32 F33 I36 R64 A65 A66 R70 A71 G72	I29-I68 HydrophobicContact CG1-CG2 4.4Å; I29-I68 HydrophobicContact CG2-CG2 4.2Å; N32-I68 HydrophobicContact CB-CD1 4.06Å; N32-I68 HydrophobicContact CB-CG1 3.7Å; F33-I68 HydrophobicContact CB-CD1 4.07Å; I36-I68 HydrophobicContact CD1-CD1 3.79Å; R64-I68 WeakPolarHBondContact O-CG1 3.45Å; R64-I68 PolarHBondContact O-N 3.31Å; R64-I68 VanDerWaalsContact O-N 3.16Å; A65-I68 WeakPolarHBondContact O-CB 3.45Å; A65-I68 PolarHBondContact O-N 2.89Å; A66-I68 PolarHBondContact O-N 3Å; I68-R70 PolarHBondContact O-N 3.18Å; I68-A71 PolarHBondContact O-N 2.89Å; I68-G72 PolarHBondContact O-N 3.29Å
69	V	98.8	Very high	98.2	Very high	91 Å²	91	70.3 Å²	70.3	55%	0.552	36%	0.361	S	S	*	.	H	α-helix	trans	-60.5	-45.3	177.2	175.9	0	0	0	0	111	A65 A66 A71 G72 E73	A65-V69 PolarHBondContact O-N 3.46Å; A65-V69 VanDerWaalsContact O-N 3.1Å; A66-V69 PolarHBondContact O-N 3.44Å; V69-A71 VanDerWaalsContact C-N 3.35Å; V69-A71 PolarHBondContact O-N 3.36Å; V69-G72 WeakPolarHBondContact O-CA 3.37Å; V69-G72 PolarHBondContact O-N 3.36Å; V69-G72 VanDerWaalsContact O-N 3.11Å; V69-E73 PolarHBondContact O-N 3.38Å
70	R	98.6	Very high	98.2	Very high	178 Å²	178	67.2 Å²	67.2	67%	0.672	36%	0.36	S	S	*	.	H	α-helix	trans	-61.5	-39.7	179.3	-163	-171.7	77	167.7	3.1	112.9	A66 N67 I68 S74	A66-R70 WeakPolarHBondContact O-CB 3.47Å; A66-R70 PolarHBondContact O-N 2.93Å; N67-R70 PolarHBondContact O-N 3.45Å; I68-R70 PolarHBondContact O-N 3.18Å; R70-S74 PolarHBondContact O-N 2.96Å; R70-S74 VanDerWaalsContact O-N 3.11Å
71	A	98.7	Very high	98.1	Very high	2 Å²	2	66.6 Å²	66.6	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-68.1	-39.6	173.8	0	0	0	0	0	111.5	D25 I29 N67 I68 V69 E73 S74 L75	D25-A71 HydrophobicContact CB-CB 4.24Å; I29-A71 HydrophobicContact CD1-CB 4.03Å; I29-A71 HydrophobicContact CG1-CB 3.62Å; N67-A71 PolarHBondContact O-N 3.12Å; I68-A71 PolarHBondContact O-N 2.89Å; V69-A71 VanDerWaalsContact C-N 3.35Å; V69-A71 PolarHBondContact O-N 3.36Å; A71-E73 PolarHBondContact O-N 3.41Å; A71-S74 WeakPolarHBondContact O-CB 3.37Å; A71-S74 PolarHBondContact O-N 3.32Å; A71-S74 VanDerWaalsContact O-N 3.14Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 2.71Å
72	G	98.7	Very high	98	Very high	21 Å²	21	67.1 Å²	67.1	22%	0.216	36%	0.362	C	S	.	.	H	α-helix	trans	-57	-45.4	171.8	0	0	0	0	0	113.1	I68 V69 S74 L75 M76	I68-G72 PolarHBondContact O-N 3.29Å; V69-G72 WeakPolarHBondContact O-CA 3.37Å; V69-G72 PolarHBondContact O-N 3.36Å; V69-G72 VanDerWaalsContact O-N 3.11Å; G72-S74 VanDerWaalsContact C-N 3.35Å; G72-S74 PolarHBondContact O-N 3.05Å; G72-L75 PolarHBondContact O-N 2.82Å; G72-M76 WeakPolarHBondContact O-CG 3.41Å; G72-M76 PolarHBondContact O-N 3.14Å
73	E	98.4	Very high	97.8	Very high	91 Å²	91	68 Å²	68	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-40.8	172.7	-75	-171.6	-154.8	0	0	113	V69 A71 L75 M76 K77	V69-E73 PolarHBondContact O-N 3.38Å; A71-E73 PolarHBondContact O-N 3.41Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.03Å; E73-M76 PolarHBondContact O-N 3Å; E73-K77 WeakPolarHBondContact O-CB 3.48Å; E73-K77 WeakPolarHBondContact O-CD 3.31Å; E73-K77 WeakPolarHBondContact O-CG 3.49Å; E73-K77 PolarHBondContact O-N 2.91Å; E73-K77 IonicContact OE2-NZ 2.79Å; E73-K77 PolarHBondContact OE2-NZ 3.01Å
74	S	98.5	Very high	97.5	Very high	24 Å²	24	69.6 Å²	69.6	17%	0.168	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-40.6	177.1	179.1	0	0	0	0	111.1	R21 D25 R70 A71 G72 K77 L78	R21-S74 PolarHBondContact NE-OG 3.49Å; R21-S74 PolarHBondContact NH2-O 2.98Å; D25-S74 WeakPolarHBondContact OD1-CB 3.41Å; D25-S74 PolarHBondContact OD1-OG 3.04Å; D25-S74 WeakPolarHBondContact OD2-CB 3.39Å; D25-S74 PolarHBondContact OD2-OG 2.79Å; R70-S74 PolarHBondContact O-N 2.96Å; R70-S74 VanDerWaalsContact O-N 3.11Å; A71-S74 WeakPolarHBondContact O-CB 3.37Å; A71-S74 PolarHBondContact O-N 3.32Å; A71-S74 VanDerWaalsContact O-N 3.14Å; G72-S74 VanDerWaalsContact C-N 3.35Å; G72-S74 PolarHBondContact O-N 3.05Å; S74-K77 PolarHBondContact O-N 3.49Å; S74-L78 WeakPolarHBondContact O-CB 3.31Å; S74-L78 PolarHBondContact O-N 3.18Å
75	L	98.6	Very high	97.1	Very high	37 Å²	37	69 Å²	69	19%	0.194	37%	0.365	C	S	.	.	H	α-helix	trans	-65	-40.6	173.5	-67	175.8	0	0	0	112.4	L22 D25 I26 I29 A71 G72 E73 K77 L78 V79	L22-L75 HydrophobicContact CD1-CD2 3.7Å; D25-L75 HydrophobicContact CB-CD1 4.33Å; D25-L75 HydrophobicContact CB-CD2 3.73Å; D25-L75 HydrophobicContact CB-CG 3.81Å; I26-L75 HydrophobicContact CG1-CD1 4.27Å; I29-L75 HydrophobicContact CD1-CD1 3.81Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 2.71Å; G72-L75 PolarHBondContact O-N 2.82Å; E73-L75 VanDerWaalsContact C-N 3.3Å; E73-L75 PolarHBondContact O-N 3.03Å; L75-K77 PolarHBondContact O-N 3.06Å; L75-L78 HydrophobicContact CD2-CD2 4.37Å; L75-L78 WeakPolarHBondContact O-CB 3.27Å; L75-L78 PolarHBondContact O-N 3.21Å; L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 3.47Å
76	M	98.4	Very high	96.5	Very high	146 Å²	146	72.8 Å²	72.8	72%	0.719	38%	0.378	S	S	*	.	H	α-helix	trans	-61	-44.9	173.9	-69.6	-176.1	-173.9	0	0	111.9	G72 E73 L78 V79 S80	G72-M76 WeakPolarHBondContact O-CG 3.41Å; G72-M76 PolarHBondContact O-N 3.14Å; E73-M76 PolarHBondContact O-N 3Å; M76-L78 VanDerWaalsContact C-N 3.32Å; M76-L78 PolarHBondContact O-N 3.34Å; M76-V79 PolarHBondContact O-N 2.88Å; M76-S80 PolarHBondContact O-N 2.93Å
77	K	98	Very high	96	Very high	111 Å²	111	74.8 Å²	74.8	48%	0.483	38%	0.38	S	S	.	.	H	α-helix	trans	-60.1	-43.2	174.4	-70.7	157.3	-175.3	157.1	0	110.3	R21 E73 S74 L75 V79 S80 D81	R21-K77 VanDerWaalsContact NH2-CB 3.26Å; E73-K77 WeakPolarHBondContact O-CB 3.48Å; E73-K77 WeakPolarHBondContact O-CD 3.31Å; E73-K77 WeakPolarHBondContact O-CG 3.49Å; E73-K77 PolarHBondContact O-N 2.91Å; E73-K77 IonicContact OE2-NZ 2.79Å; E73-K77 PolarHBondContact OE2-NZ 3.01Å; S74-K77 PolarHBondContact O-N 3.49Å; L75-K77 PolarHBondContact O-N 3.06Å; K77-V79 VanDerWaalsContact C-N 3.34Å; K77-V79 PolarHBondContact O-N 3.38Å; K77-S80 WeakPolarHBondContact O-CA 3.42Å; K77-S80 VanDerWaalsContact O-CB 3.27Å; K77-S80 WeakPolarHBondContact O-CB 3.34Å; K77-S80 PolarHBondContact O-N 2.75Å; K77-D81 PolarHBondContact O-N 2.82Å
78	L	98.1	Very high	95.2	Very high	5 Å²	5	76.9 Å²	76.9	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-62.4	-37.9	178.7	-178.3	63	0	0	0	112.7	Y18 R21 L22 S74 L75 M76 S80 D81 L82	Y18-L78 HydrophobicContact CD1-CD1 3.46Å; Y18-L78 VanDerWaalsContact CD1-CD1 3.46Å; Y18-L78 HydrophobicContact CE1-CD1 4.2Å; Y18-L78 HydrophobicContact CG-CD1 3.75Å; R21-L78 HydrophobicContact CG-CD2 4.45Å; L22-L78 HydrophobicContact CB-CD2 3.87Å; L22-L78 HydrophobicContact CD1-CD2 4.37Å; S74-L78 WeakPolarHBondContact O-CB 3.31Å; S74-L78 PolarHBondContact O-N 3.18Å; L75-L78 HydrophobicContact CD2-CD2 4.37Å; L75-L78 WeakPolarHBondContact O-CB 3.27Å; L75-L78 PolarHBondContact O-N 3.21Å; M76-L78 VanDerWaalsContact C-N 3.32Å; M76-L78 PolarHBondContact O-N 3.34Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.88Å; L78-D81 WeakPolarHBondContact CA-OD2 3.5Å; L78-D81 PolarHBondContact O-N 3.11Å; L78-L82 HydrophobicContact CG-CD1 4.32Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.93Å
79	V	97.5	Very high	94.4	Very high	76 Å²	76	77.4 Å²	77.4	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-33.8	173.4	170.2	0	0	0	0	111.5	L75 M76 K77 K83	L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 3.47Å; M76-V79 PolarHBondContact O-N 2.88Å; K77-V79 VanDerWaalsContact C-N 3.34Å; K77-V79 PolarHBondContact O-N 3.38Å; V79-K83 HydrophobicContact CG1-CD 4.5Å; V79-K83 VanDerWaalsContact O-CG 3.31Å; V79-K83 WeakPolarHBondContact O-CG 3.35Å; V79-K83 PolarHBondContact O-N 3.37Å; V79-K83 VanDerWaalsContact O-N 3.14Å
80	S	96.8	Very high	93.6	Very high	75 Å²	75	77.5 Å²	77.5	52%	0.524	39%	0.391	S	S	.	.	H	α-helix	trans	-68.1	-45.1	172.1	-165.1	0	0	0	0	111.7	M76 K77 L78 L82 K83 Q84	M76-S80 PolarHBondContact O-N 2.93Å; K77-S80 WeakPolarHBondContact O-CA 3.42Å; K77-S80 VanDerWaalsContact O-CB 3.27Å; K77-S80 WeakPolarHBondContact O-CB 3.34Å; K77-S80 PolarHBondContact O-N 2.75Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 2.88Å; S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.48Å; S80-K83 PolarHBondContact O-N 2.98Å; S80-Q84 PolarHBondContact O-N 3.39Å
81	D	94.6	Very high	92.9	Very high	46 Å²	46	74.8 Å²	74.8	25%	0.246	39%	0.385	C	S	.	.	H	α-helix	trans	-57.9	-44.6	177.6	-55.9	-31.8	0	0	0	111	Y18 R21 K77 L78 Q84 F85	Y18-D81 HydrophobicContact CE1-CB 3.83Å; R21-D81 IonicContact CZ-OD2 2.71Å; R21-D81 IonicContact NH1-OD2 2.61Å; R21-D81 PolarHBondContact NH1-OD2 3.19Å; R21-D81 IonicContact NH2-OD2 2.75Å; R21-D81 PolarHBondContact NH2-OD2 2.78Å; K77-D81 PolarHBondContact O-N 2.82Å; L78-D81 WeakPolarHBondContact CA-OD2 3.5Å; L78-D81 PolarHBondContact O-N 3.11Å; D81-Q84 PolarHBondContact O-N 2.98Å; D81-F85 WeakPolarHBondContact O-CB 3.34Å; D81-F85 PolarHBondContact O-N 3.05Å
82	L	95	Very high	92.3	Very high	66 Å²	66	78.2 Å²	78.2	35%	0.346	41%	0.406	S	S	.	.	H	α-helix	trans	-64.3	-40.8	176.3	-75.2	167.5	0	0	0	113.1	Y18 L78 S80 F85 L86	Y18-L82 HydrophobicContact CD2-CD2 3.57Å; Y18-L82 HydrophobicContact CD2-CG 4.26Å; Y18-L82 HydrophobicContact CE2-CD2 4Å; Y18-L82 HydrophobicContact CG-CD2 4.37Å; L78-L82 HydrophobicContact CG-CD1 4.32Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.43Å; L78-L82 PolarHBondContact O-N 2.93Å; S80-L82 VanDerWaalsContact C-N 3.32Å; S80-L82 PolarHBondContact O-N 3.48Å; L82-F85 PolarHBondContact O-N 3.04Å; L82-L86 WeakPolarHBondContact O-CG 3.29Å; L82-L86 PolarHBondContact O-N 3.01Å
83	K	93.8	Very high	91.6	Very high	128 Å²	128	78.9 Å²	78.9	56%	0.557	41%	0.408	S	S	*	.	H	α-helix	trans	-61.5	-45.6	174.7	-75.6	170.5	-179.4	-179.8	0	111.2	V79 S80 L86 I87	V79-K83 HydrophobicContact CG1-CD 4.5Å; V79-K83 VanDerWaalsContact O-CG 3.31Å; V79-K83 WeakPolarHBondContact O-CG 3.35Å; V79-K83 PolarHBondContact O-N 3.37Å; V79-K83 VanDerWaalsContact O-N 3.14Å; S80-K83 PolarHBondContact O-N 2.98Å; K83-L86 PolarHBondContact O-N 2.78Å; K83-I87 VanDerWaalsContact O-CG1 3.31Å; K83-I87 WeakPolarHBondContact O-CG1 3.49Å; K83-I87 PolarHBondContact O-N 2.8Å
84	Q	91.4	Very high	91.2	Very high	124 Å²	124	77.5 Å²	77.5	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-62.7	-44.4	176.7	-175.2	177.5	72.1	0	0	111.4	S80 D81 L86 I87 L88	S80-Q84 PolarHBondContact O-N 3.39Å; D81-Q84 PolarHBondContact O-N 2.98Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L86 PolarHBondContact O-N 3.25Å; Q84-I87 PolarHBondContact O-N 3.17Å; Q84-L88 HydrophobicContact CG-CD1 3.66Å; Q84-L88 HydrophobicContact CG-CG 4.11Å; Q84-L88 WeakPolarHBondContact O-CB 3.43Å; Q84-L88 VanDerWaalsContact O-CG 3.31Å; Q84-L88 WeakPolarHBondContact O-CG 3.38Å; Q84-L88 PolarHBondContact O-N 3.45Å
85	F	89.7	Confident	90.9	Very high	33 Å²	33	80.9 Å²	80.9	15%	0.145	42%	0.422	C	S	.	.	H	α-helix	trans	-57.8	-41.2	176.6	175.3	-92.4	0	0	0	113	K11 L14 L15 Y18 D81 L82 N89	K11-F85 HydrophobicContact CB-CE2 4.34Å; K11-F85 HydrophobicContact CD-CE2 4.28Å; K11-F85 HydrophobicContact CG-CE2 4.34Å; L14-F85 HydrophobicContact CD2-CD2 3.93Å; L14-F85 HydrophobicContact CD2-CE2 4.3Å; L15-F85 HydrophobicContact CD1-CE1 4.48Å; L15-F85 HydrophobicContact CD1-CZ 4.03Å; L15-F85 HydrophobicContact CD2-CD1 4.36Å; L15-F85 HydrophobicContact CD2-CE1 3.91Å; L15-F85 HydrophobicContact CD2-CE2 4.48Å; L15-F85 HydrophobicContact CD2-CZ 3.96Å; L15-F85 HydrophobicContact CG-CZ 4.11Å; Y18-F85 HydrophobicContact CE2-CB 4.38Å; D81-F85 WeakPolarHBondContact O-CB 3.34Å; D81-F85 PolarHBondContact O-N 3.05Å; L82-F85 PolarHBondContact O-N 3.04Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.13Å; F85-N89 VanDerWaalsContact CE2-ND2 3.29Å; F85-N89 WeakPolarHBondContact CE2-ND2 3.31Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.48Å; F85-N89 WeakPolarHBondContact O-CB 3.35Å; F85-N89 PolarHBondContact O-N 3.46Å; F85-N89 PolarHBondContact O-ND2 2.97Å
86	L	87	Confident	90.7	Very high	121 Å²	121	83.7 Å²	83.7	63%	0.634	44%	0.437	S	S	*	.	H	α-helix	trans	-69.1	-49	179	-72.1	170.7	0	0	0	111.8	L82 K83 Q84 L88 N89	L82-L86 WeakPolarHBondContact O-CG 3.29Å; L82-L86 PolarHBondContact O-N 3.01Å; K83-L86 PolarHBondContact O-N 2.78Å; Q84-L86 VanDerWaalsContact C-N 3.32Å; Q84-L86 PolarHBondContact O-N 3.25Å; L86-L88 PolarHBondContact O-N 3.32Å; L86-N89 PolarHBondContact O-N 2.92Å
87	I	87.1	Confident	90.5	Very high	103 Å²	103	79.2 Å²	79.2	53%	0.528	42%	0.423	S	S	.	.	H	α-helix	trans	-60.4	-46	179.7	-66.6	164.7	0	0	0	110.9	K83 Q84 N89 F91	K83-I87 VanDerWaalsContact O-CG1 3.31Å; K83-I87 WeakPolarHBondContact O-CG1 3.49Å; K83-I87 PolarHBondContact O-N 2.8Å; Q84-I87 PolarHBondContact O-N 3.17Å; I87-N89 VanDerWaalsContact C-N 3.35Å; I87-N89 PolarHBondContact O-N 3.37Å; I87-F91 HydrophobicContact CG2-CE1 4.31Å; I87-F91 HydrophobicContact CG2-CE2 4.17Å; I87-F91 HydrophobicContact CG2-CZ 3.75Å
88	L	83.8	Confident	90.4	Very high	95 Å²	95	77.9 Å²	77.9	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-76.4	-16.4	-177.4	-61.8	-176	0	0	0	114	Q84 L86 F91	Q84-L88 HydrophobicContact CG-CD1 3.66Å; Q84-L88 HydrophobicContact CG-CG 4.11Å; Q84-L88 WeakPolarHBondContact O-CB 3.43Å; Q84-L88 VanDerWaalsContact O-CG 3.31Å; Q84-L88 WeakPolarHBondContact O-CG 3.38Å; Q84-L88 PolarHBondContact O-N 3.45Å; L86-L88 PolarHBondContact O-N 3.32Å; L88-F91 HydrophobicContact CD2-CD2 3.76Å; L88-F91 HydrophobicContact CD2-CE2 3.6Å
89	N	80.8	Confident	90.4	Very high	52 Å²	52	80.4 Å²	80.4	28%	0.278	44%	0.439	S	S	.	.	H	α-helix	trans	-71	-34.3	-178.1	-122.9	-80.6	0	0	0	113.4	K11 F85 L86 I87 P92	K11-N89 PolarHBondContact NZ-OD1 3.42Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.13Å; F85-N89 VanDerWaalsContact CE2-ND2 3.29Å; F85-N89 WeakPolarHBondContact CE2-ND2 3.31Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.48Å; F85-N89 WeakPolarHBondContact O-CB 3.35Å; F85-N89 PolarHBondContact O-N 3.46Å; F85-N89 PolarHBondContact O-ND2 2.97Å; L86-N89 PolarHBondContact O-N 2.92Å; I87-N89 VanDerWaalsContact C-N 3.35Å; I87-N89 PolarHBondContact O-N 3.37Å; N89-P92 WeakPolarHBondContact O-CD 3.5Å
90	D	81.6	Confident	90.4	Very high	93 Å²	93	82.5 Å²	82.5	50%	0.497	44%	0.443	S	S	.	.	H	α-helix	trans	-91	-23.2	-170.1	-158.7	33.2	0	0	0	112.6	P92 S93 V94	D90-P92 VanDerWaalsContact C-CD 3.45Å; D90-P92 VanDerWaalsContact C-N 3.33Å; D90-P92 VanDerWaalsContact O-N 3.15Å; D90-S93 WeakPolarHBondContact O-CA 3.14Å; D90-S93 PolarHBondContact O-N 2.91Å; D90-V94 PolarHBondContact O-N 2.88Å
91	F	85.1	Confident	90.5	Very high	122 Å²	122	84.3 Å²	84.3	54%	0.535	44%	0.444	S	S	.	.	H	α-helix	trans	-47.7	-41.5	177.8	-74.3	-18.3	0	0	0	115	I87 L88 N95	I87-F91 HydrophobicContact CG2-CE1 4.31Å; I87-F91 HydrophobicContact CG2-CE2 4.17Å; I87-F91 HydrophobicContact CG2-CZ 3.75Å; L88-F91 HydrophobicContact CD2-CD2 3.76Å; L88-F91 HydrophobicContact CD2-CE2 3.6Å; F91-N95 WeakPolarHBondContact O-CB 3.49Å; F91-N95 PolarHBondContact O-N 3.26Å
92	P	85.3	Confident	90.6	Very high	73 Å²	73	85.8 Å²	85.8	47%	0.474	45%	0.451	S	S	.	.	H	α-helix	trans	-60.8	-46.2	173	-23.2	34.9	0	0	0	112.6	N89 D90 V94 N95 D96	N89-P92 WeakPolarHBondContact O-CD 3.5Å; D90-P92 VanDerWaalsContact C-CD 3.45Å; D90-P92 VanDerWaalsContact C-N 3.33Å; D90-P92 VanDerWaalsContact O-N 3.15Å; P92-V94 VanDerWaalsContact C-N 3.34Å; P92-V94 PolarHBondContact O-N 2.86Å; P92-N95 PolarHBondContact O-N 3.29Å; P92-D96 WeakPolarHBondContact O-CB 3.39Å; P92-D96 PolarHBondContact O-N 3.45Å
93	S	84.9	Confident	90.8	Very high	36 Å²	36	89.5 Å²	89.5	25%	0.252	47%	0.467	S	S	.	.	H	α-helix	trans	-70.5	-31.5	-177.2	-147.7	0	0	0	0	112.4	R5 D90 A97	R5-S93 PolarHBondContact NH1-OG 3.14Å; R5-S93 PolarHBondContact NH2-OG 2.91Å; D90-S93 WeakPolarHBondContact O-CA 3.14Å; D90-S93 PolarHBondContact O-N 2.91Å; S93-A97 PolarHBondContact O-N 3.46Å
94	V	88.7	Confident	91	Very high	62 Å²	62	89.2 Å²	89.2	38%	0.376	47%	0.468	S	S	.	.	H	α-helix	trans	-71.1	-42.7	171.3	173.6	0	0	0	0	110.9	D90 P92 A97 I98	D90-V94 PolarHBondContact O-N 2.88Å; P92-V94 VanDerWaalsContact C-N 3.34Å; P92-V94 PolarHBondContact O-N 2.86Å; V94-A97 PolarHBondContact O-N 2.92Å; V94-I98 HydrophobicContact CG1-CD1 3.83Å; V94-I98 HydrophobicContact CG1-CG1 4.48Å; V94-I98 WeakPolarHBondContact O-CG1 3.39Å; V94-I98 PolarHBondContact O-N 3.35Å
95	N	93.2	Very high	91.3	Very high	94 Å²	94	88 Å²	88	50%	0.503	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-37.2	178.4	-173.3	82.6	0	0	0	112.3	F91 P92 I98 S99	F91-N95 WeakPolarHBondContact O-CB 3.49Å; F91-N95 PolarHBondContact O-N 3.26Å; P92-N95 PolarHBondContact O-N 3.29Å; N95-I98 PolarHBondContact O-N 3.25Å; N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.46Å; N95-S99 PolarHBondContact O-N 2.85Å; N95-S99 PolarHBondContact O-OG 3.37Å
96	D	93.6	Very high	91.7	Very high	96 Å²	96	93.9 Å²	93.9	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-59.5	-45.8	171.5	-68.3	-20	0	0	0	110.7	P92 S99 Q100	P92-D96 WeakPolarHBondContact O-CB 3.39Å; P92-D96 PolarHBondContact O-N 3.45Å; D96-S99 PolarHBondContact O-N 2.92Å; D96-Q100 WeakPolarHBondContact O-CB 3.3Å; D96-Q100 PolarHBondContact O-N 2.71Å
97	A	94.8	Very high	92.3	Very high	53 Å²	53	90.8 Å²	90.8	44%	0.438	48%	0.478	S	S	.	.	H	α-helix	trans	-65.2	-43.6	178.3	0	0	0	0	0	112.6	S93 V94 S99 Q100 Q101	S93-A97 PolarHBondContact O-N 3.46Å; V94-A97 PolarHBondContact O-N 2.92Å; A97-S99 VanDerWaalsContact C-N 3.31Å; A97-S99 PolarHBondContact O-N 3.22Å; A97-Q100 PolarHBondContact O-N 3.3Å; A97-Q101 WeakPolarHBondContact O-CB 3.33Å; A97-Q101 PolarHBondContact O-N 2.97Å
98	I	96.5	Very high	92.8	Very high	82 Å²	82	90.5 Å²	90.5	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-61.1	-41.4	173.9	-69.7	167.6	0	0	0	110.6	V94 N95 Q101 N102	V94-I98 HydrophobicContact CG1-CD1 3.83Å; V94-I98 HydrophobicContact CG1-CG1 4.48Å; V94-I98 WeakPolarHBondContact O-CG1 3.39Å; V94-I98 PolarHBondContact O-N 3.35Å; N95-I98 PolarHBondContact O-N 3.25Å; I98-Q101 PolarHBondContact O-N 2.95Å; I98-N102 WeakPolarHBondContact O-CB 3.47Å; I98-N102 PolarHBondContact O-N 3.49Å; I98-N102 PolarHBondContact O-ND2 3.01Å
99	S	97.4	Very high	93.5	Very high	58 Å²	58	91.1 Å²	91.1	41%	0.406	48%	0.477	S	S	.	.	H	α-helix	trans	-64.8	-44	178.1	-59	0	0	0	0	111.5	N95 D96 A97 N102 Q103	N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.46Å; N95-S99 PolarHBondContact O-N 2.85Å; N95-S99 PolarHBondContact O-OG 3.37Å; D96-S99 PolarHBondContact O-N 2.92Å; A97-S99 VanDerWaalsContact C-N 3.31Å; A97-S99 PolarHBondContact O-N 3.22Å; S99-N102 PolarHBondContact O-N 2.9Å; S99-Q103 PolarHBondContact O-N 2.99Å
100	Q	97.6	Very high	94.3	Very high	120 Å²	120	93.7 Å²	93.7	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-62.4	-44.2	175.2	-177.9	172.8	56.6	0	0	112	D96 A97 Q103 Q104	D96-Q100 WeakPolarHBondContact O-CB 3.3Å; D96-Q100 PolarHBondContact O-N 2.71Å; A97-Q100 PolarHBondContact O-N 3.3Å; Q100-Q103 PolarHBondContact O-N 2.88Å; Q100-Q104 WeakPolarHBondContact O-CG 3.35Å; Q100-Q104 PolarHBondContact O-N 3.47Å
101	Q	97.8	Very high	95.1	Very high	114 Å²	114	93.9 Å²	93.9	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177	-170.9	-177.7	13.4	0	0	111.6	A97 I98 Q103 Q104 L105	A97-Q101 WeakPolarHBondContact O-CB 3.33Å; A97-Q101 PolarHBondContact O-N 2.97Å; I98-Q101 PolarHBondContact O-N 2.95Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 3.39Å; Q101-Q104 PolarHBondContact O-N 3.28Å; Q101-L105 HydrophobicContact CG-CD1 4.25Å; Q101-L105 WeakPolarHBondContact O-CG 3.5Å; Q101-L105 PolarHBondContact O-N 2.83Å
102	N	98.1	Very high	95.8	Very high	76 Å²	76	90.7 Å²	90.7	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-39	174.4	-87.4	-90.1	0	0	0	112.2	I98 S99 R106	I98-N102 WeakPolarHBondContact O-CB 3.47Å; I98-N102 PolarHBondContact O-N 3.49Å; I98-N102 PolarHBondContact O-ND2 3.01Å; S99-N102 PolarHBondContact O-N 2.9Å; N102-R106 VanDerWaalsContact O-CG 3.31Å; N102-R106 WeakPolarHBondContact O-CG 3.21Å; N102-R106 PolarHBondContact O-N 2.61Å
103	Q	98.2	Very high	96.4	Very high	145 Å²	145	90.6 Å²	90.6	68%	0.678	48%	0.477	S	S	*	.	H	α-helix	trans	-66.8	-40.3	176.3	-169.5	177.5	10.9	0	0	112	S99 Q100 Q101 R106 A107	S99-Q103 PolarHBondContact O-N 2.99Å; Q100-Q103 PolarHBondContact O-N 2.88Å; Q101-Q103 VanDerWaalsContact C-N 3.31Å; Q101-Q103 PolarHBondContact O-N 3.39Å; Q103-R106 PolarHBondContact O-N 3.04Å; Q103-A107 WeakPolarHBondContact O-CB 3.31Å; Q103-A107 PolarHBondContact O-N 3.03Å
104	Q	98.1	Very high	97	Very high	121 Å²	121	96.5 Å²	96.5	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-63.8	-44.3	175.1	-72	170.1	-11.9	0	0	112.1	Q100 Q101 R106 A107 L108	Q100-Q104 WeakPolarHBondContact O-CG 3.35Å; Q100-Q104 PolarHBondContact O-N 3.47Å; Q101-Q104 PolarHBondContact O-N 3.28Å; Q104-R106 PolarHBondContact O-N 2.95Å; Q104-A107 PolarHBondContact O-N 3.43Å; Q104-L108 WeakPolarHBondContact O-CB 3.49Å; Q104-L108 PolarHBondContact O-N 3.42Å
105	L	98.4	Very high	97.5	Very high	99 Å²	99	99.2 Å²	99.2	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-39.3	177.8	-71.5	170.3	0	0	0	112.1	Q101 L108 Q109	Q101-L105 HydrophobicContact CG-CD1 4.25Å; Q101-L105 WeakPolarHBondContact O-CG 3.5Å; Q101-L105 PolarHBondContact O-N 2.83Å; L105-L108 PolarHBondContact O-N 3.45Å; L105-Q109 PolarHBondContact O-N 3.07Å
106	R	98.4	Very high	97.7	Very high	156 Å²	156	100.1 Å²	100.1	59%	0.589	51%	0.509	S	S	*	.	H	α-helix	trans	-64.7	-48.1	174.3	-72.9	173.4	-175.6	-75.7	-3.3	112	N102 Q103 Q104 L108 Q109 D110	N102-R106 VanDerWaalsContact O-CG 3.31Å; N102-R106 WeakPolarHBondContact O-CG 3.21Å; N102-R106 PolarHBondContact O-N 2.61Å; Q103-R106 PolarHBondContact O-N 3.04Å; Q104-R106 PolarHBondContact O-N 2.95Å; R106-L108 VanDerWaalsContact C-N 3.27Å; R106-L108 PolarHBondContact O-N 3.36Å; R106-Q109 WeakPolarHBondContact O-CA 3.45Å; R106-Q109 WeakPolarHBondContact O-CB 3.5Å; R106-Q109 PolarHBondContact O-N 3.02Å; R106-D110 VanDerWaalsContact O-CG 3.23Å; R106-D110 PolarHBondContact O-N 3.03Å
107	A	98.3	Very high	98	Very high	57 Å²	57	99.2 Å²	99.2	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-60.1	-36.5	177.8	0	0	0	0	0	112.7	Q103 Q104 E111	Q103-A107 WeakPolarHBondContact O-CB 3.31Å; Q103-A107 PolarHBondContact O-N 3.03Å; Q104-A107 PolarHBondContact O-N 3.43Å; A107-E111 WeakPolarHBondContact O-CB 3.38Å; A107-E111 PolarHBondContact O-N 2.98Å; A107-E111 VanDerWaalsContact O-N 3.07Å
108	L	98.4	Very high	98.1	Very high	96 Å²	96	99.4 Å²	99.4	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-38	173.4	-179.1	62.1	0	0	0	112.2	Q104 L105 R106 E111 C112	Q104-L108 WeakPolarHBondContact O-CB 3.49Å; Q104-L108 PolarHBondContact O-N 3.42Å; L105-L108 PolarHBondContact O-N 3.45Å; R106-L108 VanDerWaalsContact C-N 3.27Å; R106-L108 PolarHBondContact O-N 3.36Å; L108-E111 PolarHBondContact O-N 3.3Å; L108-C112 PolarHBondContact O-N 3.46Å; L108-C112 PolarHBondContact O-SG 3.48Å; L108-C112 VanDerWaalsContact O-SG 3.36Å
109	Q	98.3	Very high	98.2	Very high	108 Å²	108	99.7 Å²	99.7	51%	0.505	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-50.3	173.2	-166.4	-159.4	-43.3	0	0	110.8	L105 R106 E111 C112 D113	L105-Q109 PolarHBondContact O-N 3.07Å; R106-Q109 WeakPolarHBondContact O-CA 3.45Å; R106-Q109 WeakPolarHBondContact O-CB 3.5Å; R106-Q109 PolarHBondContact O-N 3.02Å; Q109-E111 PolarHBondContact O-N 2.85Å; Q109-C112 WeakPolarHBondContact O-CB 3.47Å; Q109-C112 PolarHBondContact O-N 3.07Å; Q109-D113 PolarHBondContact NE2-OD2 3.04Å; Q109-D113 PolarHBondContact O-N 2.58Å
110	D	98.4	Very high	98.3	Very high	106 Å²	106	103.7 Å²	103.7	57%	0.567	51%	0.513	S	S	*	.	H	α-helix	trans	-57.4	-36.7	178.5	-61	-32.2	0	0	0	111.6	R106 K114	R106-D110 VanDerWaalsContact O-CG 3.23Å; R106-D110 PolarHBondContact O-N 3.03Å; D110-K114 VanDerWaalsContact O-CB 3.22Å; D110-K114 WeakPolarHBondContact O-CB 3.3Å; D110-K114 PolarHBondContact O-N 3.13Å
111	E	98.4	Very high	98.3	Very high	97 Å²	97	101.5 Å²	101.5	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-68.9	-41.4	174.9	-165.5	-171.3	157.4	0	0	112.5	A107 L108 Q109 K115	A107-E111 WeakPolarHBondContact O-CB 3.38Å; A107-E111 PolarHBondContact O-N 2.98Å; A107-E111 VanDerWaalsContact O-N 3.07Å; L108-E111 PolarHBondContact O-N 3.3Å; Q109-E111 PolarHBondContact O-N 2.85Å; E111-K115 VanDerWaalsContact O-CG 3.31Å; E111-K115 WeakPolarHBondContact O-CG 3.22Å; E111-K115 PolarHBondContact O-N 2.88Å; E111-K115 WeakPolarHBondContact OE1-CE 3.44Å; E111-K115 IonicContact OE1-NZ 3.17Å; E111-K115 PolarHBondContact OE1-NZ 2.97Å
112	C	98.3	Very high	98.3	Very high	56 Å²	56	100.7 Å²	100.7	38%	0.378	50%	0.501	S	S	.	.	H	α-helix	trans	-66.7	-46.7	176	-74.8	0	0	0	0	112.2	L108 Q109 K114 K115 L116	L108-C112 PolarHBondContact O-N 3.46Å; L108-C112 PolarHBondContact O-SG 3.48Å; L108-C112 VanDerWaalsContact O-SG 3.36Å; Q109-C112 WeakPolarHBondContact O-CB 3.47Å; Q109-C112 PolarHBondContact O-N 3.07Å; C112-K114 VanDerWaalsContact C-N 3.29Å; C112-K114 PolarHBondContact O-N 3.41Å; C112-K115 PolarHBondContact O-N 2.98Å; C112-K115 VanDerWaalsContact O-N 3.13Å; C112-L116 WeakPolarHBondContact O-CG 3.31Å; C112-L116 PolarHBondContact O-N 2.83Å
113	D	98.5	Very high	98.3	Very high	70 Å²	70	101 Å²	101	37%	0.374	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-37.1	179.1	-69.1	-17.5	0	0	0	110.6	Q109 T117	Q109-D113 PolarHBondContact NE2-OD2 3.04Å; Q109-D113 PolarHBondContact O-N 2.58Å; D113-T117 WeakPolarHBondContact O-CB 3.49Å; D113-T117 PolarHBondContact O-N 2.97Å; D113-T117 PolarHBondContact O-OG1 3.34Å
114	K	98.4	Very high	98.3	Very high	161 Å²	161	96 Å²	96	70%	0.7	49%	0.486	S	S	*	.	H	α-helix	trans	-63.9	-43.4	171.1	-176.5	178.5	178.6	-177.4	0	112.9	D110 C112 T117 S118	D110-K114 VanDerWaalsContact O-CB 3.22Å; D110-K114 WeakPolarHBondContact O-CB 3.3Å; D110-K114 PolarHBondContact O-N 3.13Å; C112-K114 VanDerWaalsContact C-N 3.29Å; C112-K114 PolarHBondContact O-N 3.41Å; K114-T117 PolarHBondContact O-N 3.06Å; K114-S118 PolarHBondContact O-N 3.25Å
115	K	98.3	Very high	98.3	Very high	119 Å²	119	93.9 Å²	93.9	52%	0.517	48%	0.481	S	S	.	.	H	α-helix	trans	-65.3	-42	177.2	-75.7	168.9	-176.3	168.7	0	112	E111 C112 T117 S118 L119	E111-K115 VanDerWaalsContact O-CG 3.31Å; E111-K115 WeakPolarHBondContact O-CG 3.22Å; E111-K115 PolarHBondContact O-N 2.88Å; E111-K115 WeakPolarHBondContact OE1-CE 3.44Å; E111-K115 IonicContact OE1-NZ 3.17Å; E111-K115 PolarHBondContact OE1-NZ 2.97Å; C112-K115 PolarHBondContact O-N 2.98Å; C112-K115 VanDerWaalsContact O-N 3.13Å; K115-T117 VanDerWaalsContact C-N 3.31Å; K115-T117 PolarHBondContact O-N 3.37Å; K115-S118 PolarHBondContact O-N 3.48Å; K115-L119 WeakPolarHBondContact O-CB 3.43Å; K115-L119 PolarHBondContact O-N 2.75Å
116	L	98.5	Very high	98.3	Very high	113 Å²	113	93.6 Å²	93.6	59%	0.592	48%	0.48	S	S	*	.	H	α-helix	trans	-61.8	-39.5	174.2	-74	169.9	0	0	0	111.8	C112 R120	C112-L116 WeakPolarHBondContact O-CG 3.31Å; C112-L116 PolarHBondContact O-N 2.83Å; L116-R120 VanDerWaalsContact O-CB 3.24Å; L116-R120 WeakPolarHBondContact O-CB 3.46Å; L116-R120 PolarHBondContact O-N 3.01Å
117	T	98.3	Very high	98.2	Very high	76 Å²	76	91.3 Å²	91.3	47%	0.466	48%	0.479	S	S	.	.	H	α-helix	trans	-63.9	-49.5	175.2	-54.6	0	0	0	0	111.2	D113 K114 K115 L119 R120 D121	D113-T117 WeakPolarHBondContact O-CB 3.49Å; D113-T117 PolarHBondContact O-N 2.97Å; D113-T117 PolarHBondContact O-OG1 3.34Å; K114-T117 PolarHBondContact O-N 3.06Å; K115-T117 VanDerWaalsContact C-N 3.31Å; K115-T117 PolarHBondContact O-N 3.37Å; T117-L119 PolarHBondContact O-N 3.46Å; T117-R120 PolarHBondContact O-N 3.02Å; T117-R120 VanDerWaalsContact O-N 3.13Å; T117-D121 PolarHBondContact O-N 3.19Å
118	S	98.4	Very high	98.1	Very high	58 Å²	58	95.6 Å²	95.6	41%	0.406	48%	0.484	S	S	.	.	H	α-helix	trans	-54.6	-52.5	176.8	-157.6	0	0	0	0	111.5	K114 K115 R120 D121 E122	K114-S118 PolarHBondContact O-N 3.25Å; K115-S118 PolarHBondContact O-N 3.48Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-R120 PolarHBondContact O-N 2.94Å; S118-D121 PolarHBondContact O-N 2.97Å; S118-D121 VanDerWaalsContact O-N 3.07Å; S118-E122 VanDerWaalsContact CB-OE1 3.3Å; S118-E122 WeakPolarHBondContact CB-OE1 3.46Å; S118-E122 WeakPolarHBondContact O-CB 3.36Å; S118-E122 VanDerWaalsContact O-CG 3.28Å; S118-E122 WeakPolarHBondContact O-CG 3.24Å; S118-E122 PolarHBondContact O-N 3.07Å; S118-E122 PolarHBondContact OG-OE1 3.02Å
119	L	98.4	Very high	97.9	Very high	88 Å²	88	96.7 Å²	96.7	46%	0.461	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-34.4	178.8	-178.1	62	0	0	0	112.8	K115 T117 I123	K115-L119 WeakPolarHBondContact O-CB 3.43Å; K115-L119 PolarHBondContact O-N 2.75Å; T117-L119 PolarHBondContact O-N 3.46Å; L119-I123 HydrophobicContact CD1-CD1 3.89Å; L119-I123 HydrophobicContact CD1-CG1 4.21Å; L119-I123 HydrophobicContact CG-CD1 3.87Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.47Å; L119-I123 VanDerWaalsContact O-CG1 3.22Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.44Å
120	R	98.3	Very high	97.7	Very high	142 Å²	142	96.8 Å²	96.8	54%	0.536	49%	0.49	S	S	.	.	H	α-helix	trans	-74.3	-29.6	176.8	-179.8	-95.7	99	-154.7	-7.7	112.6	L116 T117 S118 A124	L116-R120 VanDerWaalsContact O-CB 3.24Å; L116-R120 WeakPolarHBondContact O-CB 3.46Å; L116-R120 PolarHBondContact O-N 3.01Å; T117-R120 PolarHBondContact O-N 3.02Å; T117-R120 VanDerWaalsContact O-N 3.13Å; S118-R120 VanDerWaalsContact C-N 3.27Å; S118-R120 PolarHBondContact O-N 2.94Å; R120-A124 VanDerWaalsContact O-CB 3.31Å; R120-A124 WeakPolarHBondContact O-CB 3.41Å; R120-A124 PolarHBondContact O-N 3.34Å
121	D	98.3	Very high	97.4	Very high	73 Å²	73	96.7 Å²	96.7	39%	0.39	49%	0.486	S	S	.	.	H	α-helix	trans	-74.6	-45.3	170	-76.6	-49.4	0	0	0	111.2	T117 S118 A124 V125	T117-D121 PolarHBondContact O-N 3.19Å; S118-D121 PolarHBondContact O-N 2.97Å; S118-D121 VanDerWaalsContact O-N 3.07Å; D121-A124 WeakPolarHBondContact O-CB 3.22Å; D121-A124 PolarHBondContact O-N 2.83Å; D121-A124 VanDerWaalsContact O-N 3.12Å; D121-V125 PolarHBondContact O-N 3.36Å
122	E	98.2	Very high	97	Very high	97 Å²	97	97.6 Å²	97.6	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-55.5	-54.8	175.4	-70.9	156.1	-133.4	0	0	111.5	S118 A124 V125 D126	S118-E122 VanDerWaalsContact CB-OE1 3.3Å; S118-E122 WeakPolarHBondContact CB-OE1 3.46Å; S118-E122 WeakPolarHBondContact O-CB 3.36Å; S118-E122 VanDerWaalsContact O-CG 3.28Å; S118-E122 WeakPolarHBondContact O-CG 3.24Å; S118-E122 PolarHBondContact O-N 3.07Å; S118-E122 PolarHBondContact OG-OE1 3.02Å; E122-A124 PolarHBondContact O-N 2.92Å; E122-V125 PolarHBondContact O-N 3.26Å; E122-D126 PolarHBondContact O-N 3.13Å
123	I	97.9	Very high	96.6	Very high	82 Å²	82	101.3 Å²	101.3	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-30.4	177	-69.4	168.1	0	0	0	112.1	L119 L127	L119-I123 HydrophobicContact CD1-CD1 3.89Å; L119-I123 HydrophobicContact CD1-CG1 4.21Å; L119-I123 HydrophobicContact CG-CD1 3.87Å; L119-I123 WeakPolarHBondContact O-CB 3.28Å; L119-I123 WeakPolarHBondContact O-CD1 3.47Å; L119-I123 VanDerWaalsContact O-CG1 3.22Å; L119-I123 WeakPolarHBondContact O-CG1 3.47Å; L119-I123 PolarHBondContact O-N 3.44Å; I123-L127 HydrophobicContact CG2-CD1 3.84Å; I123-L127 HydrophobicContact CG2-CG 4.3Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 WeakPolarHBondContact O-CG 3.22Å; I123-L127 PolarHBondContact O-N 3.24Å
124	A	97.8	Very high	95.9	Very high	42 Å²	42	104 Å²	104	35%	0.347	51%	0.508	S	S	.	.	H	α-helix	trans	-75.1	-26	177.9	0	0	0	0	0	112.9	R120 D121 E122 Y128	R120-A124 VanDerWaalsContact O-CB 3.31Å; R120-A124 WeakPolarHBondContact O-CB 3.41Å; R120-A124 PolarHBondContact O-N 3.34Å; D121-A124 WeakPolarHBondContact O-CB 3.22Å; D121-A124 PolarHBondContact O-N 2.83Å; D121-A124 VanDerWaalsContact O-N 3.12Å; E122-A124 PolarHBondContact O-N 2.92Å; A124-Y128 PolarHBondContact O-N 3.23Å
125	V	98	Very high	95.3	Very high	75 Å²	75	103.3 Å²	103.3	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-74.2	-51.6	169.7	175.2	0	0	0	0	109.7	D121 E122 L127 Y128 E129	D121-V125 PolarHBondContact O-N 3.36Å; E122-V125 PolarHBondContact O-N 3.26Å; V125-L127 VanDerWaalsContact C-N 3.28Å; V125-L127 PolarHBondContact O-N 3.1Å; V125-Y128 WeakPolarHBondContact O-CB 3.46Å; V125-Y128 PolarHBondContact O-N 3.12Å; V125-E129 HydrophobicContact CG1-CG 4.3Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.4Å; V125-E129 PolarHBondContact O-N 3.16Å
126	D	97.4	Very high	94.7	Very high	93 Å²	93	101.9 Å²	101.9	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-52.9	-44.8	179	-68.2	-10.3	0	0	0	112	E122 Y128 L130	E122-D126 PolarHBondContact O-N 3.13Å; D126-Y128 PolarHBondContact O-N 3.11Å; D126-L130 WeakPolarHBondContact O-CB 3.22Å; D126-L130 WeakPolarHBondContact O-CD1 3.31Å; D126-L130 VanDerWaalsContact O-CG 3.22Å; D126-L130 WeakPolarHBondContact O-CG 3.36Å; D126-L130 PolarHBondContact O-N 3.12Å
127	L	97	Very high	93.6	Very high	109 Å²	109	98.9 Å²	98.9	57%	0.571	50%	0.496	S	S	*	.	H	α-helix	trans	-66.4	-33.6	178.2	-74.7	171.5	0	0	0	113.3	I123 V125 E131	I123-L127 HydrophobicContact CG2-CD1 3.84Å; I123-L127 HydrophobicContact CG2-CG 4.3Å; I123-L127 WeakPolarHBondContact O-CB 3.49Å; I123-L127 WeakPolarHBondContact O-CG 3.22Å; I123-L127 PolarHBondContact O-N 3.24Å; V125-L127 VanDerWaalsContact C-N 3.28Å; V125-L127 PolarHBondContact O-N 3.1Å; L127-E131 WeakPolarHBondContact O-CB 3.47Å; L127-E131 PolarHBondContact O-N 2.97Å
128	Y	96.3	Very high	92	Very high	147 Å²	147	99.9 Å²	99.9	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-73.9	-42.7	178	178.3	-101.6	0	0	0	111.6	A124 V125 D126 L130 E131 E132	A124-Y128 PolarHBondContact O-N 3.23Å; V125-Y128 WeakPolarHBondContact O-CB 3.46Å; V125-Y128 PolarHBondContact O-N 3.12Å; D126-Y128 PolarHBondContact O-N 3.11Å; Y128-L130 VanDerWaalsContact C-N 3.33Å; Y128-L130 PolarHBondContact O-N 3.06Å; Y128-E131 PolarHBondContact O-N 3.41Å; Y128-E132 PolarHBondContact O-N 2.91Å
129	E	95.3	Very high	90	Very high	119 Å²	119	104.2 Å²	104.2	56%	0.556	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-40.1	175.6	-67.1	-174.5	-175.1	0	0	111.3	V125 E132 E133	V125-E129 HydrophobicContact CG1-CG 4.3Å; V125-E129 WeakPolarHBondContact CG1-OE1 3.4Å; V125-E129 PolarHBondContact O-N 3.16Å; E129-E132 PolarHBondContact O-N 2.95Å; E129-E133 PolarHBondContact O-N 3.07Å
130	L	93.2	Very high	87.7	Confident	109 Å²	109	103.2 Å²	103.2	57%	0.571	51%	0.514	S	S	*	.	H	α-helix	trans	-66.5	-34.5	173.5	-72.2	169.1	0	0	0	113.3	D126 Y128 Y134	D126-L130 WeakPolarHBondContact O-CB 3.22Å; D126-L130 WeakPolarHBondContact O-CD1 3.31Å; D126-L130 VanDerWaalsContact O-CG 3.22Å; D126-L130 WeakPolarHBondContact O-CG 3.36Å; D126-L130 PolarHBondContact O-N 3.12Å; Y128-L130 VanDerWaalsContact C-N 3.33Å; Y128-L130 PolarHBondContact O-N 3.06Å; L130-Y134 VanDerWaalsContact O-CB 3.29Å; L130-Y134 WeakPolarHBondContact O-CB 3.41Å; L130-Y134 PolarHBondContact O-N 3.47Å
131	E	91.4	Very high	85.4	Confident	105 Å²	105	104.3 Å²	104.3	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-68.4	-43.3	174.2	-175.4	171.4	-158.8	0	0	111.1	L127 Y128 Y134 Y135	L127-E131 WeakPolarHBondContact O-CB 3.47Å; L127-E131 PolarHBondContact O-N 2.97Å; Y128-E131 PolarHBondContact O-N 3.41Å; E131-Y134 PolarHBondContact O-N 3.39Å; E131-Y135 HydrophobicContact CG-CD2 3.8Å; E131-Y135 HydrophobicContact CG-CE2 3.56Å; E131-Y135 WeakPolarHBondContact O-CD2 3.29Å; E131-Y135 PolarHBondContact O-N 3.04Å; E131-Y135 VanDerWaalsContact O-N 3.11Å
132	E	91.4	Very high	83	Confident	116 Å²	116	108.9 Å²	108.9	54%	0.542	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-43.9	175.8	-174.9	168.9	-150.2	0	0	112.2	Y128 E129 Y134 Y135 S136	Y128-E132 PolarHBondContact O-N 2.91Å; E129-E132 PolarHBondContact O-N 2.95Å; E132-Y134 PolarHBondContact O-N 3.48Å; E132-Y135 PolarHBondContact O-N 3.45Å; E132-S136 VanDerWaalsContact O-CB 3.25Å; E132-S136 WeakPolarHBondContact O-CB 3.36Å; E132-S136 PolarHBondContact O-N 3.06Å; E132-S136 PolarHBondContact O-OG 3.18Å
133	E	88.9	Confident	80.5	Confident	133 Å²	133	110.6 Å²	110.6	62%	0.621	55%	0.55	S	S	*	*	H	α-helix	trans	-63.7	-40.6	175.8	-170.1	175.4	-149.3	0	0	111.5	E129 Y135 S136 S137	E129-E133 PolarHBondContact O-N 3.07Å; E133-Y135 PolarHBondContact O-N 3.05Å; E133-S136 WeakPolarHBondContact CA-OG 3.34Å; E133-S136 PolarHBondContact O-OG 2.94Å; E133-S137 WeakPolarHBondContact O-CB 3.48Å; E133-S137 PolarHBondContact O-N 3.37Å
134	Y	84.9	Confident	78.2	Confident	127 Å²	127	113 Å²	113	50%	0.498	57%	0.574	S	S	.	*	H	α-helix	trans	-60.7	-44.4	176.8	174.6	-98	0	0	0	112.8	L130 E131 E132	L130-Y134 VanDerWaalsContact O-CB 3.29Å; L130-Y134 WeakPolarHBondContact O-CB 3.41Å; L130-Y134 PolarHBondContact O-N 3.47Å; E131-Y134 PolarHBondContact O-N 3.39Å; E132-Y134 PolarHBondContact O-N 3.48Å
135	Y	84.8	Confident	76.2	Confident	146 Å²	146	116.8 Å²	116.8	57%	0.573	59%	0.593	S	S	*	*	H	α-helix	trans	-76.2	-37.7	-179.8	-74.5	-57.4	0	0	0	113.3	E131 E132 E133 S140	E131-Y135 HydrophobicContact CG-CD2 3.8Å; E131-Y135 HydrophobicContact CG-CE2 3.56Å; E131-Y135 WeakPolarHBondContact O-CD2 3.29Å; E131-Y135 PolarHBondContact O-N 3.04Å; E131-Y135 VanDerWaalsContact O-N 3.11Å; E132-Y135 PolarHBondContact O-N 3.45Å; E133-Y135 PolarHBondContact O-N 3.05Å; Y135-S140 PolarHBondContact O-OG 3.41Å
136	S	84.9	Confident	74.3	Confident	90 Å²	90	119.5 Å²	119.5	63%	0.629	61%	0.605	S	S	*	*	H	α-helix	trans	-77.9	-25.1	-179.3	62.2	0	0	0	0	113.8	E132 E133	E132-S136 VanDerWaalsContact O-CB 3.25Å; E132-S136 WeakPolarHBondContact O-CB 3.36Å; E132-S136 PolarHBondContact O-N 3.06Å; E132-S136 PolarHBondContact O-OG 3.18Å; E133-S136 WeakPolarHBondContact CA-OG 3.34Å; E133-S136 PolarHBondContact O-OG 2.94Å
137	S	77	Confident	72.3	Confident	50 Å²	50	118.3 Å²	118.3	35%	0.35	60%	0.598	S	S	.	*	S	Bend	trans	-60.8	139.8	173.3	178.3	0	0	0	0	111.9	E133 Y139 S140	E133-S137 WeakPolarHBondContact O-CB 3.48Å; E133-S137 PolarHBondContact O-N 3.37Å; S137-Y139 PolarHBondContact O-N 3.08Å; S137-Y139 PolarHBondContact OG-N 3.18Å; S137-S140 PolarHBondContact O-N 2.9Å; S137-S140 PolarHBondContact O-OG 3.4Å
138	S	63.7	Low	70.8	Confident	97 Å²	97	116 Å²	116	68%	0.678	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-60.9	-6.6	174.8	-46	0	0	0	0	113.9	S140 Q141	S138-S140 VanDerWaalsContact C-N 3.28Å; S138-Q141 PolarHBondContact O-N 3.3Å
139	Y	56.6	Low	69	Low	148 Å²	148	116.5 Å²	116.5	58%	0.58	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-66.6	-27.3	170.8	-126.8	-78.4	0	0	0	113.3	S137 Q141 W142	S137-Y139 PolarHBondContact O-N 3.08Å; S137-Y139 PolarHBondContact OG-N 3.18Å; Y139-Q141 PolarHBondContact O-N 2.86Å; Y139-W142 AromaticContact CD1-CD1 3.84Å; Y139-W142 HydrophobicContact CD1-CD2 4.27Å; Y139-W142 HydrophobicContact CD1-CG 4.07Å; Y139-W142 AromaticContact CD1-NE1 3.86Å; Y139-W142 AromaticContact CD2-NE1 3.82Å; Y139-W142 AromaticContact CE1-CD2 3.8Å; Y139-W142 HydrophobicContact CE1-CD2 3.8Å; Y139-W142 AromaticContact CE1-CE2 3.69Å; Y139-W142 HydrophobicContact CE1-CE3 4.32Å; Y139-W142 HydrophobicContact CE1-CG 4.08Å; Y139-W142 HydrophobicContact CE1-CZ2 4.14Å; Y139-W142 AromaticContact CE1-NE1 3.86Å; Y139-W142 AromaticContact CE2-CE2 3.89Å; Y139-W142 AromaticContact CE2-CZ2 3.87Å; Y139-W142 HydrophobicContact CE2-CZ2 3.87Å; Y139-W142 AromaticContact CE2-NE1 3.83Å; Y139-W142 AromaticContact CG-NE1 3.84Å; Y139-W142 AromaticContact CZ-CE2 3.54Å; Y139-W142 AromaticContact CZ-CZ2 3.54Å; Y139-W142 AromaticContact CZ-NE1 3.84Å; Y139-W142 PolarHBondContact O-N 3.38Å; Y139-W142 WeakPolarHBondContact OH-CH2 3.28Å; Y139-W142 WeakPolarHBondContact OH-CZ2 3.49Å
140	S	51.1	Low	67.3	Low	67 Å²	67	114.6 Å²	114.6	47%	0.469	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-65.9	-14.5	172.7	68.9	0	0	0	0	113.2	Y135 S137 S138	Y135-S140 PolarHBondContact O-OG 3.41Å; S137-S140 PolarHBondContact O-N 2.9Å; S137-S140 PolarHBondContact O-OG 3.4Å; S138-S140 VanDerWaalsContact C-N 3.28Å
141	Q	49.3	Very low	65.6	Low	166 Å²	166	113.5 Å²	113.5	78%	0.776	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-101.2	13.9	179.5	-158.3	164.7	86.3	0	0	113.2	S138 Y139	S138-Q141 PolarHBondContact O-N 3.3Å; Y139-Q141 PolarHBondContact O-N 2.86Å
142	W	48.3	Very low	64.2	Low	169 Å²	169	110.6 Å²	110.6	64%	0.64	59%	0.586	S	S	*	*	S	Bend	trans	-66.2	145.3	168.3	-81.9	50.9	0	0	0	111	Y139	Y139-W142 AromaticContact CD1-CD1 3.84Å; Y139-W142 HydrophobicContact CD1-CD2 4.27Å; Y139-W142 HydrophobicContact CD1-CG 4.07Å; Y139-W142 AromaticContact CD1-NE1 3.86Å; Y139-W142 AromaticContact CD2-NE1 3.82Å; Y139-W142 AromaticContact CE1-CD2 3.8Å; Y139-W142 HydrophobicContact CE1-CD2 3.8Å; Y139-W142 AromaticContact CE1-CE2 3.69Å; Y139-W142 HydrophobicContact CE1-CE3 4.32Å; Y139-W142 HydrophobicContact CE1-CG 4.08Å; Y139-W142 HydrophobicContact CE1-CZ2 4.14Å; Y139-W142 AromaticContact CE1-NE1 3.86Å; Y139-W142 AromaticContact CE2-CE2 3.89Å; Y139-W142 AromaticContact CE2-CZ2 3.87Å; Y139-W142 HydrophobicContact CE2-CZ2 3.87Å; Y139-W142 AromaticContact CE2-NE1 3.83Å; Y139-W142 AromaticContact CG-NE1 3.84Å; Y139-W142 AromaticContact CZ-CE2 3.54Å; Y139-W142 AromaticContact CZ-CZ2 3.54Å; Y139-W142 AromaticContact CZ-NE1 3.84Å; Y139-W142 PolarHBondContact O-N 3.38Å; Y139-W142 WeakPolarHBondContact OH-CH2 3.28Å; Y139-W142 WeakPolarHBondContact OH-CZ2 3.49Å
143	N	46	Very low	62.6	Low	133 Å²	133	112.9 Å²	112.9	71%	0.711	59%	0.591	S	S	*	*			trans	-62	146.1	-165.1	-77.9	-59.4	0	0	0	113.8	T145 D146	N143-T145 PolarHBondContact O-N 3.27Å; N143-D146 PolarHBondContact O-N 3.5Å
144	S	49.8	Very low	61.2	Low	132 Å²	132	115.2 Å²	115.2	92%	0.923	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	18.8	-178.7	-175.1	0	0	0	0	116.1
145	T	54.1	Low	59.8	Low	121 Å²	121	115.8 Å²	115.8	74%	0.742	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-28.7	177.7	43	0	0	0	0	113.4	N143	N143-T145 PolarHBondContact O-N 3.27Å
146	D	58.6	Low	58.4	Low	133 Å²	133	118.3 Å²	118.3	71%	0.711	60%	0.604	S	S	*	*	S	Bend	trans	-103.6	136.5	179.5	-73.1	-56.9	0	0	0	111.3	N143	N143-D146 PolarHBondContact O-N 3.5Å
147	L	56.1	Low	56.7	Low	67 Å²	67	119 Å²	119	35%	0.351	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-75.7	136.6	-176.2	-157.2	87.3	0	0	0	110.3	L149 E151 A152 R155	L147-L149 PolarHBondContact O-N 3.43Å; L147-E151 HydrophobicContact CD2-CB 3.61Å; L147-E151 HydrophobicContact CG-CB 3.98Å; L147-A152 HydrophobicContact CD2-CB 4.48Å; L147-R155 VanDerWaalsContact CD2-NH2 3.28Å
148	P	64.7	Low	55.3	Low	60 Å²	60	121.2 Å²	121.2	39%	0.39	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-52.2	136.6	176.4	-29.3	36.3	0	0	0	112.5	C150 E151 A152	P148-C150 PolarHBondContact O-N 2.92Å; P148-C150 VanDerWaalsContact O-N 3.08Å; P148-E151 WeakPolarHBondContact O-CA 3.49Å; P148-E151 WeakPolarHBondContact O-CB 3.09Å; P148-E151 PolarHBondContact O-N 3.44Å; P148-A152 PolarHBondContact O-N 2.91Å
149	L	59.8	Low	54.6	Low	158 Å²	158	126.7 Å²	126.7	83%	0.827	62%	0.622	S	S	*	*	H	α-helix	trans	-55.6	-31.9	-175	-87.7	162.4	0	0	0	113.3	L147 A152 Y153	L147-L149 PolarHBondContact O-N 3.43Å; L149-A152 PolarHBondContact O-N 2.69Å; L149-Y153 PolarHBondContact O-N 3.47Å
150	C	58.2	Low	54.1	Low	80 Å²	80	123.2 Å²	123.2	54%	0.541	62%	0.624	S	S	.	*	H	α-helix	trans	-68.8	-32.7	174.9	57.1	0	0	0	0	113.7	P148 R154	P148-C150 PolarHBondContact O-N 2.92Å; P148-C150 VanDerWaalsContact O-N 3.08Å; C150-R154 PolarHBondContact O-N 3.41Å
151	E	58.6	Low	54.2	Low	85 Å²	85	125.7 Å²	125.7	40%	0.397	64%	0.642	S	S	.	*	H	α-helix	trans	-77.1	-36.9	170	-67.5	-153.4	127.4	0	0	111.8	L147 P148 Y153 R154 R155	L147-E151 HydrophobicContact CD2-CB 3.61Å; L147-E151 HydrophobicContact CG-CB 3.98Å; P148-E151 WeakPolarHBondContact O-CA 3.49Å; P148-E151 WeakPolarHBondContact O-CB 3.09Å; P148-E151 PolarHBondContact O-N 3.44Å; E151-Y153 VanDerWaalsContact C-N 3.28Å; E151-Y153 PolarHBondContact O-N 2.92Å; E151-R154 PolarHBondContact O-N 3.22Å; E151-R155 VanDerWaalsContact O-CB 3.28Å; E151-R155 WeakPolarHBondContact O-CB 3.25Å; E151-R155 PolarHBondContact O-N 3.04Å
152	A	61.4	Low	54	Low	44 Å²	44	122.9 Å²	122.9	36%	0.364	64%	0.638	S	S	.	*	H	α-helix	trans	-61.5	-38.3	176.1	0	0	0	0	0	111.4	L147 P148 L149 R156	L147-A152 HydrophobicContact CD2-CB 4.48Å; P148-A152 PolarHBondContact O-N 2.91Å; L149-A152 PolarHBondContact O-N 2.69Å; A152-R156 PolarHBondContact O-N 3.49Å
153	Y	57.4	Low	54	Low	165 Å²	165	123 Å²	123	65%	0.647	65%	0.651	S	S	*	*	H	α-helix	trans	-65.4	-54.8	173.4	-160.3	-78.2	0	0	0	111.6	L149 E151 R155 R156	L149-Y153 PolarHBondContact O-N 3.47Å; E151-Y153 VanDerWaalsContact C-N 3.28Å; E151-Y153 PolarHBondContact O-N 2.92Å; Y153-R155 PolarHBondContact O-N 3.35Å; Y153-R156 WeakPolarHBondContact O-CB 3.19Å; Y153-R156 PolarHBondContact O-N 3.2Å
154	R	59.1	Low	53.6	Low	182 Å²	182	121.9 Å²	121.9	69%	0.687	65%	0.653	S	S	*	*	H	α-helix	trans	-57.6	-32.8	177.3	-79.2	-163.7	-68.5	178.2	-1.4	113.4	C150 E151 R156	C150-R154 PolarHBondContact O-N 3.41Å; E151-R154 PolarHBondContact O-N 3.22Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 2.99Å
155	R	57.5	Low	53.4	Low	139 Å²	139	121.5 Å²	121.5	53%	0.525	65%	0.651	S	S	.	*	H	α-helix	trans	-69.5	-27.2	175.7	-168.7	179	-66.4	172.6	1	112.3	L147 E151 Y153 S158	L147-R155 VanDerWaalsContact CD2-NH2 3.28Å; E151-R155 VanDerWaalsContact O-CB 3.28Å; E151-R155 WeakPolarHBondContact O-CB 3.25Å; E151-R155 PolarHBondContact O-N 3.04Å; Y153-R155 PolarHBondContact O-N 3.35Å; R155-S158 WeakPolarHBondContact O-CB 3.5Å; R155-S158 PolarHBondContact O-N 2.9Å
156	R	54.3	Low	52.3	Low	199 Å²	199	121.5 Å²	121.5	75%	0.751	66%	0.656	S	S	*	*	H	α-helix	trans	-70	-42.2	179.9	-168.7	169.7	-174.9	134.8	3	112.3	A152 Y153 R154 S158 W159	A152-R156 PolarHBondContact O-N 3.49Å; Y153-R156 WeakPolarHBondContact O-CB 3.19Å; Y153-R156 PolarHBondContact O-N 3.2Å; R154-R156 VanDerWaalsContact C-N 3.31Å; R154-R156 PolarHBondContact O-N 2.99Å; R156-S158 PolarHBondContact O-N 3.11Å; R156-W159 PolarHBondContact O-N 3.43Å; R156-W159 VanDerWaalsContact O-N 3.1Å
157	D	48.7	Very low	51.3	Low	103 Å²	103	120.9 Å²	120.9	55%	0.551	66%	0.662	S	S	*	*	H	α-helix	trans	-63.5	-32.9	176.5	-60.2	-35.6	0	0	0	111.5	W159 A160	D157-W159 PolarHBondContact O-N 3.19Å; D157-W159 VanDerWaalsContact O-N 3.12Å; D157-A160 WeakPolarHBondContact O-CB 3.47Å; D157-A160 PolarHBondContact O-N 3.23Å; D157-A160 VanDerWaalsContact O-N 3.16Å
158	S	48.2	Very low	50.2	Low	98 Å²	98	122.9 Å²	122.9	69%	0.685	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-7.7	174.8	-173.8	0	0	0	0	115	R155 R156	R155-S158 WeakPolarHBondContact O-CB 3.5Å; R155-S158 PolarHBondContact O-N 2.9Å; R156-S158 PolarHBondContact O-N 3.11Å
159	W	48.4	Very low	48.7	Very low	211 Å²	211	125.8 Å²	125.8	80%	0.799	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	3.5	176.5	-74.1	56.9	0	0	0	112.5	R156 D157 S161	R156-W159 PolarHBondContact O-N 3.43Å; R156-W159 VanDerWaalsContact O-N 3.1Å; D157-W159 PolarHBondContact O-N 3.19Å; D157-W159 VanDerWaalsContact O-N 3.12Å; W159-S161 PolarHBondContact O-N 2.95Å; W159-S161 VanDerWaalsContact O-N 3.11Å
160	A	46.8	Very low	47.5	Very low	76 Å²	76	126.3 Å²	126.3	63%	0.628	70%	0.696	S	S	*	*			trans	-82.1	29	-178.9	0	0	0	0	0	114.5	D157	D157-A160 WeakPolarHBondContact O-CB 3.47Å; D157-A160 PolarHBondContact O-N 3.23Å; D157-A160 VanDerWaalsContact O-N 3.16Å
161	S	53.3	Low	46.2	Very low	119 Å²	119	128.5 Å²	128.5	83%	0.832	70%	0.703	S	S	*	*			trans	-136.7	88.2	175.6	-69.5	0	0	0	0	113.2	W159	W159-S161 PolarHBondContact O-N 2.95Å; W159-S161 VanDerWaalsContact O-N 3.11Å
162	P	44.8	Very low	44.9	Very low	106 Å²	106	129.8 Å²	129.8	69%	0.688	71%	0.712	S	S	*	*			trans	-101.1	115.7	152.3	32.2	-22.1	0	0	0	110.2	S164	P162-S164 PolarHBondContact O-N 2.87Å
163	D	49.3	Very low	43.6	Very low	173 Å²	173	137.2 Å²	137.2	93%	0.925	73%	0.731	S	S	*	*			trans	-58.1	123	166.3	-85.5	-50.4	0	0	0	110
164	S	36	Very low	42.5	Very low	108 Å²	108	138 Å²	138	76%	0.755	74%	0.741	S	S	*	*			trans	-133.8	81.4	170.1	49.8	0	0	0	0	109.6	P162 S166	P162-S164 PolarHBondContact O-N 2.87Å; S164-S166 PolarHBondContact O-N 3Å
165	S	45.7	Very low	41.2	Very low	125 Å²	125	137.4 Å²	137.4	87%	0.874	75%	0.746	S	S	*	*			trans	-69.9	125.5	176.7	43.4	0	0	0	0	111
166	S	31.9	Very low	40.1	Very low	121 Å²	121	135.9 Å²	135.9	85%	0.846	76%	0.763	S	S	*	*			trans	-143.9	127.3	168.4	57.7	0	0	0	0	110	S164	S164-S166 PolarHBondContact O-N 3Å
167	S	37	Very low	39	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	75%	0.75	S	S	*	*			trans	-117.5	126.8	-167.8	56.2	0	0	0	0	112.1
168	S	33.5	Very low	38.3	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	76%	0.76	S	S	*	*			trans	-166.5	101.2	159	52.9	0	0	0	0	113.8
169	T	33.7	Very low	37.6	Very low	121 Å²	121	135.5 Å²	135.5	74%	0.742	76%	0.757	S	S	*	*			trans	42	132.4	131.4	55	0	0	0	0	123.3
170	Q	33.8	Very low	36.9	Very low	169 Å²	169	131.8 Å²	131.8	79%	0.79	76%	0.76	S	S	*	*			trans	73.4	147	153.1	-74.9	173.6	-101.9	0	0	117.6
171	D	30.7	Very low	36.3	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	76%	0.758	S	S	*	*			cis	-152.1	-172.4	6.5	-136.7	-40.4	0	0	0	114.1
172	D	32.2	Very low	35.3	Very low	112 Å²	112	134.4 Å²	134.4	60%	0.599	76%	0.755	S	S	*	*			trans	84.2	115.1	160.2	-91.3	-74.4	0	0	0	121.2
173	R	33.5	Very low	34.7	Very low	199 Å²	199	136.9 Å²	136.9	75%	0.751	76%	0.758	S	S	*	*			trans	79.2	129.4	146.2	-62.9	164.8	-158.7	-127.8	-9	119.3
174	E	35.1	Very low	33.8	Very low	183 Å²	183	132.5 Å²	132.5	86%	0.855	75%	0.745	S	S	*	*				66.6	135	50.2	-63.1	-176.8	152.3	0	0	113.4
175	E	31.6	Very low	33.5	Very low	168 Å²	168	134.9 Å²	134.9	79%	0.785	75%	0.749	S	S	*	*			cis	-155.1	150.4	-15.5	178.6	179.9	-136.8	0	0	106.3
176	A	33.2	Very low	32.8	Very low	108 Å²	108	132 Å²	132	89%	0.893	73%	0.733	S	S	*	*			trans	-139.7	88	179	0	0	0	0	0	111.5
177	D	31.8	Very low	32.9	Very low	89 Å²	89	134.6 Å²	134.6	48%	0.476	73%	0.732	S	S	.	*			trans	-119.8	147.8	-174.6	-177.2	23.5	0	0	0	112.4
178	R	33.2	Very low	32.8	Very low	204 Å²	204	137.9 Å²	137.9	77%	0.77	73%	0.734	S	S	*	*			trans	62.5	143.9	161.7	-97.8	174.2	-85.5	-157.8	-2.9	118.7
179	T	33.4	Very low	33	Very low	99 Å²	99	141.1 Å²	141.1	61%	0.607	74%	0.736	S	S	*	*			cis	-152.1	170.6	-6.5	-22.9	0	0	0	0	109.1
180	P	35.1	Very low	33.1	Very low	133 Å²	133	141.6 Å²	141.6	86%	0.864	74%	0.739	S	S	*	*				-138.9	145.4	105.1	37.2	-26.2	0	0	0	115
181	S	33.7	Very low	33.2	Very low	85 Å²	85	140.2 Å²	140.2	59%	0.594	74%	0.737	S	S	*	*			trans	-126.7	130.7	173	-60.3	0	0	0	0	107.6
182	Q	33	Very low	33.2	Very low	165 Å²	165	137.5 Å²	137.5	77%	0.771	74%	0.739	S	S	*	*				52.4	136.5	97.5	-65.3	-175	-79.1	0	0	114.7
183	E	30.8	Very low	33.4	Very low	158 Å²	158	140.9 Å²	140.9	74%	0.738	75%	0.751	S	S	*	*			cis	-158.2	-166.1	-6.2	-124.7	-168.7	-99.6	0	0	109.3
184	A	31.9	Very low	33.3	Very low	80 Å²	80	134.7 Å²	134.7	66%	0.661	75%	0.749	S	S	*	*			cis	-155.7	176	20.5	0	0	0	0	0	112.6
185	N	28.2	Very low	33.6	Very low	158 Å²	158	132.7 Å²	132.7	85%	0.845	75%	0.749	S	S	*	*				135.3	147.3	124.7	-156.6	24.6	0	0	0	117.2
186	A	32	Very low	33.7	Very low	64 Å²	64	131.3 Å²	131.3	53%	0.529	75%	0.753	S	S	.	*			trans	-63.7	151.6	-159.6	0	0	0	0	0	120.4
187	Q	34.4	Very low	34	Very low	176 Å²	176	130.8 Å²	130.8	82%	0.822	75%	0.749	S	S	*	*				41.9	111.8	129.9	-59.7	168.9	-48.2	0	0	119.8
188	H	34.4	Very low	34.4	Very low	188 Å²	188	133 Å²	133	87%	0.87	77%	0.765	S	S	*	*				-162.6	154.3	100.2	-111.5	136.9	0	0	0	112
189	H	38.1	Very low	34.7	Very low	177 Å²	177	132.5 Å²	132.5	82%	0.819	77%	0.772	S	S	*	*			trans	-133.4	96.5	-176.2	-173.6	-72.5	0	0	0	110
190	V	35.4	Very low	35.2	Very low	132 Å²	132	136.2 Å²	136.2	80%	0.8	78%	0.78	S	S	*	*			trans	-129.2	117.8	176.8	-172.9	0	0	0	0	109.1
191	N	35.1	Very low	36.2	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	80%	0.795	S	S	*	*			trans	-89.7	131.4	176.9	-172.5	13.2	0	0	0	109.4
192	G	31.1	Very low	36.3	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	81%	0.805	S	S	*	*			trans	-140.9	86.5	-171.9	0	0	0	0	0	113
193	H	35.6	Very low	36.5	Very low	183 Å²	183	139.9 Å²	139.9	85%	0.847	81%	0.806	S	S	*	*			trans	-78	133	162.8	-90	50.7	0	0	0	109.9
194	G	32.8	Very low	36.8	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	81%	0.81	S	S	*	*			trans	-161.2	73.2	-178.8	0	0	0	0	0	112	T196	G194-T196 PolarHBondContact O-N 2.75Å
195	T	40	Very low	37.1	Very low	140 Å²	140	142.4 Å²	142.4	86%	0.859	82%	0.819	S	S	*	*			trans	-68.9	117.7	175	47.3	0	0	0	0	110.6	A197	T195-A197 PolarHBondContact O-N 3.44Å
196	T	35.1	Very low	37.7	Very low	139 Å²	139	141.4 Å²	141.4	85%	0.853	82%	0.817	S	S	*	*			trans	-69.1	108.2	175.7	49.9	0	0	0	0	111	G194	G194-T196 PolarHBondContact O-N 2.75Å
197	A	38.3	Very low	38	Very low	98 Å²	98	146.6 Å²	146.6	81%	0.81	84%	0.836	S	S	*	*			trans	-84.1	131.9	166	0	0	0	0	0	109.9	T195	T195-A197 PolarHBondContact O-N 3.44Å
198	T	41.7	Very low	38.3	Very low	134 Å²	134	144.5 Å²	144.5	82%	0.822	84%	0.837	S	S	*	*			trans	-85.4	132.6	171.5	48.4	0	0	0	0	110.6
199	E	39.2	Very low	38.6	Very low	195 Å²	195	141.2 Å²	141.2	91%	0.911	84%	0.835	S	S	*	*			trans	-158.5	170.4	133.2	-122.4	177.8	158.2	0	0	113.2
200	K	43	Very low	38.6	Very low	177 Å²	177	138.2 Å²	138.2	77%	0.77	84%	0.836	S	S	*	*			trans	-126.6	163.2	179.8	-121.2	-160.7	170.5	-173.3	0	107.4
201	P	56.3	Low	38.9	Very low	181 Å²	181	138.7 Å²	138.7	100%	1.175	84%	0.839	S	S	*	*				-108.5	0	52.5	-6.5	28.6	0	0	0	116.2

Retrieved 201 of 201 residues in 63.4 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).