A0A5K4EFC2_SCHMA Loading...

LYR motif-containing protein 4

AlphaFold DB , UniProt , Accession A0A5K4EFC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 103 aa.

						>A0A5K4EFC2_SCHMA|A0A5K4EFC2
MRSKQLQGHLALPVYFLLASVMNFQLRLQNLSSNLFKEAQRFTDYNIRSYFERKIDKIFKNLSQVEDANILETGLKKNEELLEVLARQATLNNIYPSGKSVIE
					

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	46.9	Very low	52.2	Low	249 Å²	249	160.8 Å²	160.8	100%	1.227	81%	0.814	S	S	*	*				0	81.4	0	-73.9	-169.7	161.6	0	0	110.5
2	R	42.1	Very low	53.1	Low	256 Å²	256	156.9 Å²	156.9	97%	0.966	80%	0.796	S	S	*	*			trans	-140.4	71.5	-175.2	-138.8	178.6	-169.4	179.4	2.4	109.6
3	S	45	Very low	54.7	Low	115 Å²	115	150 Å²	150	80%	0.804	77%	0.768	S	S	*	*			trans	-147.5	32.6	-177.9	65.7	0	0	0	0	115.2
4	K	54.9	Low	55.9	Low	207 Å²	207	145.1 Å²	145.1	90%	0.9	75%	0.749	S	S	*	*	S	Bend	trans	-133.4	26.6	179.7	-78.6	-163.7	176.6	-173.2	0	116.6
5	Q	55.2	Low	57.1	Low	186 Å²	186	146.8 Å²	146.8	87%	0.869	74%	0.743	S	S	*	*	S	Bend	trans	-117.6	7	179.3	-74.8	-151.8	-49.3	0	0	117
6	L	50	Low	58.3	Low	161 Å²	161	147.1 Å²	147.1	84%	0.843	74%	0.739	S	S	*	*	S	Bend	trans	-97.7	5.9	-176.5	-83	159.5	0	0	0	116.1
7	Q	53.4	Low	59.4	Low	194 Å²	194	145.5 Å²	145.5	91%	0.907	73%	0.732	S	S	*	*	S	Bend	trans	-93.4	-5.6	-178.4	-72.6	179.8	-8.9	0	0	114.9
8	G	56.3	Low	60.4	Low	46 Å²	46	143.2 Å²	143.2	47%	0.474	72%	0.721	S	S	.	*	S	Bend	trans	-90.4	-14.7	-171.8	0	0	0	0	0	117
9	H	55.1	Low	61.5	Low	146 Å²	146	137.9 Å²	137.9	68%	0.676	70%	0.702	S	S	*	*	S	Bend	trans	-94.7	-17	-165.8	-64.2	-47	0	0	0	115.4
10	L	53.1	Low	62.6	Low	144 Å²	144	133.7 Å²	133.7	75%	0.754	69%	0.686	S	S	*	*	S	Bend	trans	-91.3	-18	178.4	-70.8	169.6	0	0	0	113.8	P13 V14	L10-P13 WeakPolarHBondContact O-CD 3.4Å; L10-P13 WeakPolarHBondContact O-CG 3.22Å; L10-V14 WeakPolarHBondContact O-CG2 3.38Å
11	A	61.8	Low	63.7	Low	65 Å²	65	130.9 Å²	130.9	54%	0.537	68%	0.675	S	S	.	*	H	α-helix	trans	-72.2	-36.2	-175.6	0	0	0	0	0	113.3	Y15	A11-Y15 WeakPolarHBondContact O-CB 3.25Å; A11-Y15 PolarHBondContact O-N 2.94Å; A11-Y15 VanDerWaalsContact O-N 3.11Å
12	L	63.6	Low	65.6	Low	114 Å²	114	125.1 Å²	125.1	60%	0.597	65%	0.646	S	S	*	*	H	α-helix	trans	-62.9	-51.9	-179.5	-67.5	170.6	0	0	0	113.4	V14 Y15 F16	L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 2.64Å; L12-Y15 PolarHBondContact O-N 3.19Å; L12-F16 WeakPolarHBondContact O-CD2 3.47Å; L12-F16 PolarHBondContact O-N 3.01Å
13	P	74.3	Confident	67.9	Low	67 Å²	67	117.1 Å²	117.1	44%	0.435	62%	0.623	S	S	.	*	H	α-helix	trans	-63.9	-37	-179	21.8	-32.1	0	0	0	112.8	L10 F16 L17	L10-P13 WeakPolarHBondContact O-CD 3.4Å; L10-P13 WeakPolarHBondContact O-CG 3.22Å; P13-F16 PolarHBondContact O-N 3.43Å; P13-L17 WeakPolarHBondContact O-CG 3.16Å; P13-L17 PolarHBondContact O-N 2.93Å
14	V	70.8	Confident	70.2	Confident	82 Å²	82	113.1 Å²	113.1	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-65.1	-41.7	177.1	177.3	0	0	0	0	111.2	L10 L12 F16 L17 L18	L10-V14 WeakPolarHBondContact O-CG2 3.38Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-V14 PolarHBondContact O-N 2.64Å; V14-F16 PolarHBondContact O-N 3.1Å; V14-L17 PolarHBondContact O-N 2.81Å; V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.42Å
15	Y	73.8	Confident	71.9	Confident	170 Å²	170	108.3 Å²	108.3	67%	0.667	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-42.2	175.9	-173.6	-94.6	0	0	0	112	A11 L12 L17 L18 A19	A11-Y15 WeakPolarHBondContact O-CB 3.25Å; A11-Y15 PolarHBondContact O-N 2.94Å; A11-Y15 VanDerWaalsContact O-N 3.11Å; L12-Y15 PolarHBondContact O-N 3.19Å; Y15-L17 PolarHBondContact O-N 3.35Å; Y15-L18 PolarHBondContact O-N 3.44Å; Y15-A19 VanDerWaalsContact O-CB 3.31Å; Y15-A19 WeakPolarHBondContact O-CB 3.27Å; Y15-A19 PolarHBondContact O-N 2.92Å
16	F	77.2	Confident	73.8	Confident	152 Å²	152	104.1 Å²	104.1	67%	0.667	56%	0.555	S	S	*	*	H	α-helix	trans	-60.9	-42.5	175.1	-92.6	-76.3	0	0	0	112.6	L12 P13 V14 A19 S20	L12-F16 WeakPolarHBondContact O-CD2 3.47Å; L12-F16 PolarHBondContact O-N 3.01Å; P13-F16 PolarHBondContact O-N 3.43Å; V14-F16 PolarHBondContact O-N 3.1Å; F16-A19 PolarHBondContact O-N 3.33Å; F16-S20 WeakPolarHBondContact O-CB 3.45Å; F16-S20 PolarHBondContact O-N 2.94Å
17	L	75.8	Confident	75.9	Confident	120 Å²	120	99.4 Å²	99.4	63%	0.628	53%	0.526	S	S	*	.	H	α-helix	trans	-63.7	-46.3	176.5	-71.4	172.1	0	0	0	111.5	P13 V14 Y15 A19 S20 V21	P13-L17 WeakPolarHBondContact O-CG 3.16Å; P13-L17 PolarHBondContact O-N 2.93Å; V14-L17 PolarHBondContact O-N 2.81Å; Y15-L17 PolarHBondContact O-N 3.35Å; L17-A19 PolarHBondContact O-N 3.32Å; L17-S20 PolarHBondContact O-N 3.47Å; L17-V21 WeakPolarHBondContact O-CG2 3.27Å; L17-V21 PolarHBondContact O-N 3.2Å
18	L	77.1	Confident	78	Confident	103 Å²	103	91.1 Å²	91.1	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-44.6	177	-72.3	170.8	0	0	0	111.8	V14 Y15 S20 V21 M22	V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.42Å; Y15-L18 PolarHBondContact O-N 3.44Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.87Å; L18-V21 PolarHBondContact O-N 2.92Å; L18-M22 WeakPolarHBondContact O-CB 3.33Å; L18-M22 VanDerWaalsContact O-CG 3.3Å; L18-M22 WeakPolarHBondContact O-CG 3.43Å; L18-M22 PolarHBondContact O-N 3.4Å
19	A	81.8	Confident	79.8	Confident	43 Å²	43	95.1 Å²	95.1	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-62.1	-39.9	176.8	0	0	0	0	0	111.9	Y15 F16 L17 N23	Y15-A19 VanDerWaalsContact O-CB 3.31Å; Y15-A19 WeakPolarHBondContact O-CB 3.27Å; Y15-A19 PolarHBondContact O-N 2.92Å; F16-A19 PolarHBondContact O-N 3.33Å; L17-A19 PolarHBondContact O-N 3.32Å; A19-N23 WeakPolarHBondContact O-CB 3.48Å; A19-N23 PolarHBondContact O-N 3.25Å
20	S	83.9	Confident	81.9	Confident	54 Å²	54	92.3 Å²	92.3	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-63.8	-47.7	175.4	176.7	0	0	0	0	111.7	F16 L17 L18 M22 N23 F24	F16-S20 WeakPolarHBondContact O-CB 3.45Å; F16-S20 PolarHBondContact O-N 2.94Å; L17-S20 PolarHBondContact O-N 3.47Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.87Å; S20-M22 PolarHBondContact O-N 3.33Å; S20-N23 WeakPolarHBondContact O-CB 3.32Å; S20-N23 PolarHBondContact O-N 2.85Å; S20-N23 VanDerWaalsContact O-N 3.16Å; S20-F24 WeakPolarHBondContact O-CD2 3.41Å; S20-F24 PolarHBondContact O-N 2.83Å; S20-F24 WeakPolarHBondContact OG-CE2 3.35Å
21	V	84.9	Confident	84	Confident	74 Å²	74	86 Å²	86	45%	0.448	45%	0.451	S	S	.	.	H	α-helix	trans	-60.3	-45.2	177.1	171.2	0	0	0	0	111.1	L17 L18 N23 F24 Q25	L17-V21 WeakPolarHBondContact O-CG2 3.27Å; L17-V21 PolarHBondContact O-N 3.2Å; L18-V21 PolarHBondContact O-N 2.92Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.39Å; V21-F24 PolarHBondContact O-N 3.5Å; V21-Q25 WeakPolarHBondContact O-CG 3.32Å; V21-Q25 PolarHBondContact O-N 2.94Å
22	M	87.1	Confident	85.7	Confident	128 Å²	128	84 Å²	84	63%	0.631	43%	0.433	S	S	*	.	H	α-helix	trans	-61.4	-38.5	176.2	-72.8	-177.3	72.7	0	0	112.1	L18 S20 Q25 L26	L18-M22 WeakPolarHBondContact O-CB 3.33Å; L18-M22 VanDerWaalsContact O-CG 3.3Å; L18-M22 WeakPolarHBondContact O-CG 3.43Å; L18-M22 PolarHBondContact O-N 3.4Å; S20-M22 PolarHBondContact O-N 3.33Å; M22-Q25 PolarHBondContact O-N 3Å; M22-L26 WeakPolarHBondContact O-CB 3.28Å; M22-L26 PolarHBondContact O-N 3.03Å
23	N	91	Very high	87.4	Confident	88 Å²	88	81 Å²	81	47%	0.471	42%	0.421	S	S	.	.	H	α-helix	trans	-62.7	-46.1	176.8	-170.9	-70.4	0	0	0	111.6	A19 S20 V21 Q25 L26 R27	A19-N23 WeakPolarHBondContact O-CB 3.48Å; A19-N23 PolarHBondContact O-N 3.25Å; S20-N23 WeakPolarHBondContact O-CB 3.32Å; S20-N23 PolarHBondContact O-N 2.85Å; S20-N23 VanDerWaalsContact O-N 3.16Å; V21-N23 VanDerWaalsContact C-N 3.31Å; V21-N23 PolarHBondContact O-N 3.39Å; N23-Q25 PolarHBondContact O-N 3.48Å; N23-L26 PolarHBondContact O-N 3.15Å; N23-R27 WeakPolarHBondContact O-CG 3.47Å; N23-R27 PolarHBondContact O-N 3.14Å; N23-R27 VanDerWaalsContact OD1-CD 3.28Å; N23-R27 WeakPolarHBondContact OD1-CD 3.41Å
24	F	92.4	Very high	88.5	Confident	32 Å²	32	81 Å²	81	14%	0.14	42%	0.418	C	S	.	.	H	α-helix	trans	-62.9	-42.6	177.1	-75.8	-61.4	0	0	0	112.6	S20 V21 L26 R27 L28 A68 L71 E72 L75	S20-F24 WeakPolarHBondContact O-CD2 3.41Å; S20-F24 PolarHBondContact O-N 2.83Å; S20-F24 WeakPolarHBondContact OG-CE2 3.35Å; V21-F24 PolarHBondContact O-N 3.5Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 3.35Å; F24-R27 PolarHBondContact O-N 3.23Å; F24-L28 WeakPolarHBondContact O-CB 3.43Å; F24-L28 WeakPolarHBondContact O-CG 3.34Å; F24-L28 PolarHBondContact O-N 3.45Å; F24-A68 HydrophobicContact CE2-CB 4.3Å; F24-A68 HydrophobicContact CZ-CB 4.31Å; F24-L71 HydrophobicContact CB-CD2 3.82Å; F24-L71 HydrophobicContact CD1-CD2 3.8Å; F24-L71 HydrophobicContact CD1-CG 4.17Å; F24-L71 HydrophobicContact CD2-CD2 4.34Å; F24-L71 HydrophobicContact CE1-CD2 4.45Å; F24-L71 HydrophobicContact CG-CD2 3.75Å; F24-E72 WeakPolarHBondContact CE1-OE2 3.31Å; F24-L75 HydrophobicContact CD1-CD1 3.87Å; F24-L75 HydrophobicContact CE1-CD1 4.38Å
25	Q	91.9	Very high	89.8	Confident	105 Å²	105	77.1 Å²	77.1	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-60.9	-43.8	176.6	-73.6	174.5	-9.2	0	0	111.8	V21 M22 N23 L28 Q29	V21-Q25 WeakPolarHBondContact O-CG 3.32Å; V21-Q25 PolarHBondContact O-N 2.94Å; M22-Q25 PolarHBondContact O-N 3Å; N23-Q25 PolarHBondContact O-N 3.48Å; Q25-L28 PolarHBondContact O-N 3.19Å; Q25-Q29 WeakPolarHBondContact O-CG 3.43Å; Q25-Q29 PolarHBondContact O-N 3.28Å
26	L	94.1	Very high	91	Very high	98 Å²	98	71.3 Å²	71.3	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-44.1	177.1	-168.6	82.4	0	0	0	111.5	M22 N23 F24 Q29 N30	M22-L26 WeakPolarHBondContact O-CB 3.28Å; M22-L26 PolarHBondContact O-N 3.03Å; N23-L26 PolarHBondContact O-N 3.15Å; F24-L26 VanDerWaalsContact C-N 3.34Å; F24-L26 PolarHBondContact O-N 3.35Å; L26-Q29 PolarHBondContact O-N 3.24Å; L26-N30 WeakPolarHBondContact O-CB 3.47Å; L26-N30 PolarHBondContact O-N 2.83Å; L26-N30 PolarHBondContact O-ND2 2.95Å
27	R	95.5	Very high	92	Very high	62 Å²	62	70.1 Å²	70.1	23%	0.234	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-44	176.6	-75.9	178.2	67.2	-160.8	1.4	111.7	N23 F24 Q29 N30 L31 E72 L75 E79	N23-R27 WeakPolarHBondContact O-CG 3.47Å; N23-R27 PolarHBondContact O-N 3.14Å; N23-R27 VanDerWaalsContact OD1-CD 3.28Å; N23-R27 WeakPolarHBondContact OD1-CD 3.41Å; F24-R27 PolarHBondContact O-N 3.23Å; R27-Q29 PolarHBondContact O-N 3.19Å; R27-N30 PolarHBondContact O-N 2.76Å; R27-L31 WeakPolarHBondContact O-CB 3.35Å; R27-L31 PolarHBondContact O-N 2.74Å; R27-E72 IonicContact CZ-OE1 3.68Å; R27-E72 IonicContact CZ-OE2 3.49Å; R27-E72 IonicContact NH1-OE1 3.44Å; R27-E72 PolarHBondContact NH1-OE1 3.35Å; R27-E72 IonicContact NH1-OE2 2.67Å; R27-E72 PolarHBondContact NH1-OE2 2.96Å; R27-E72 IonicContact NH2-OE1 2.98Å; R27-E72 PolarHBondContact NH2-OE1 2.97Å; R27-E72 IonicContact NH2-OE2 3.47Å; R27-E72 PolarHBondContact NH2-OE2 3.13Å; R27-L75 HydrophobicContact CB-CD1 4.18Å; R27-L75 HydrophobicContact CB-CD2 4.47Å; R27-E79 IonicContact CZ-OE1 3.97Å; R27-E79 IonicContact NE-OE1 3.97Å; R27-E79 IonicContact NH2-OE1 3.13Å; R27-E79 PolarHBondContact NH2-OE1 2.91Å; R27-E79 VanDerWaalsContact NH2-OE1 3.13Å
28	L	95.8	Very high	93	Very high	20 Å²	20	66.2 Å²	66.2	11%	0.105	35%	0.346	C	S	.	.	H	α-helix	trans	-58	-48.7	174.9	-82.1	167.2	0	0	0	111.5	F24 Q25 S32 F59 L62 L71 L75	F24-L28 WeakPolarHBondContact O-CB 3.43Å; F24-L28 WeakPolarHBondContact O-CG 3.34Å; F24-L28 PolarHBondContact O-N 3.45Å; Q25-L28 PolarHBondContact O-N 3.19Å; L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.35Å; L28-F59 HydrophobicContact CB-CD1 4.39Å; L28-F59 HydrophobicContact CD2-CD1 3.62Å; L28-F59 HydrophobicContact CD2-CE1 3.79Å; L28-F59 WeakPolarHBondContact O-CD1 3.31Å; L28-F59 WeakPolarHBondContact O-CE1 3.35Å; L28-L62 HydrophobicContact CD2-CB 3.77Å; L28-L62 HydrophobicContact CD2-CD1 4.15Å; L28-L71 HydrophobicContact CD1-CD1 4.22Å; L28-L71 HydrophobicContact CD2-CD1 4.29Å; L28-L75 HydrophobicContact CD2-CD2 3.82Å; L28-L75 HydrophobicContact CG-CD2 4.09Å
29	Q	96	Very high	94	Very high	131 Å²	131	61.3 Å²	61.3	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-47	-179.5	-73.4	176.7	4.8	0	0	112.1	Q25 L26 R27 S33	Q25-Q29 WeakPolarHBondContact O-CG 3.43Å; Q25-Q29 PolarHBondContact O-N 3.28Å; L26-Q29 PolarHBondContact O-N 3.24Å; R27-Q29 PolarHBondContact O-N 3.19Å; Q29-S33 WeakPolarHBondContact O-CB 3.42Å; Q29-S33 PolarHBondContact O-N 2.83Å
30	N	97.4	Very high	94.7	Very high	86 Å²	86	64.4 Å²	64.4	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-45.8	179.7	-75.9	-20.3	0	0	0	111.6	L26 R27 S33 N34	L26-N30 WeakPolarHBondContact O-CB 3.47Å; L26-N30 PolarHBondContact O-N 2.83Å; L26-N30 PolarHBondContact O-ND2 2.95Å; R27-N30 PolarHBondContact O-N 2.76Å; N30-S33 PolarHBondContact O-N 3.5Å; N30-N34 WeakPolarHBondContact O-CB 3.5Å; N30-N34 VanDerWaalsContact O-CG 3.27Å; N30-N34 PolarHBondContact O-N 3.43Å; N30-N34 PolarHBondContact O-ND2 3.33Å
31	L	98	Very high	95.2	Very high	12 Å²	12	66.8 Å²	66.8	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-43	-179.3	-173.3	60.5	0	0	0	111.5	R27 N34 L35 F59 L75 N78 E79 L82	R27-L31 WeakPolarHBondContact O-CB 3.35Å; R27-L31 PolarHBondContact O-N 2.74Å; L31-N34 PolarHBondContact O-N 2.93Å; L31-L35 HydrophobicContact CD1-CD1 4.4Å; L31-L35 HydrophobicContact CG-CD1 4.04Å; L31-L35 WeakPolarHBondContact O-CB 3.22Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-F59 HydrophobicContact CB-CE1 4.14Å; L31-F59 HydrophobicContact CB-CZ 4.04Å; L31-F59 HydrophobicContact CD2-CE1 4.4Å; L31-F59 HydrophobicContact CD2-CZ 3.95Å; L31-F59 HydrophobicContact CG-CE1 4.36Å; L31-F59 HydrophobicContact CG-CZ 3.8Å; L31-L75 HydrophobicContact CD2-CD2 3.88Å; L31-N78 HydrophobicContact CD2-CB 3.61Å; L31-N78 HydrophobicContact CG-CB 4.38Å; L31-E79 HydrophobicContact CD1-CG 3.97Å; L31-E79 HydrophobicContact CD2-CG 3.94Å; L31-L82 HydrophobicContact CD1-CB 4.41Å; L31-L82 HydrophobicContact CD1-CD2 4.16Å
32	S	98	Very high	95.7	Very high	22 Å²	22	63.7 Å²	63.7	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-49.5	173.4	-178.6	0	0	0	0	111.2	L28 N34 L35 F36	L28-S32 WeakPolarHBondContact O-CB 3.34Å; L28-S32 PolarHBondContact O-N 3.35Å; S32-N34 VanDerWaalsContact C-N 3.32Å; S32-N34 PolarHBondContact O-N 3.47Å; S32-L35 PolarHBondContact O-N 3.23Å; S32-F36 VanDerWaalsContact O-CD2 3.3Å; S32-F36 WeakPolarHBondContact O-CD2 3.39Å; S32-F36 PolarHBondContact O-N 3.39Å
33	S	97.9	Very high	95.9	Very high	52 Å²	52	60.1 Å²	60.1	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-43.4	179.2	-171.7	0	0	0	0	112.2	Q29 N30 F36 K37	Q29-S33 WeakPolarHBondContact O-CB 3.42Å; Q29-S33 PolarHBondContact O-N 2.83Å; N30-S33 PolarHBondContact O-N 3.5Å; S33-F36 PolarHBondContact O-N 3.29Å; S33-K37 VanDerWaalsContact O-CG 3.31Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 2.94Å
34	N	98.3	Very high	95.9	Very high	67 Å²	67	57.2 Å²	57.2	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-42	178.9	-70.4	-17.2	0	0	0	112	N30 L31 S32 F36 K37 E38 L82	N30-N34 WeakPolarHBondContact O-CB 3.5Å; N30-N34 VanDerWaalsContact O-CG 3.27Å; N30-N34 PolarHBondContact O-N 3.43Å; N30-N34 PolarHBondContact O-ND2 3.33Å; L31-N34 PolarHBondContact O-N 2.93Å; S32-N34 VanDerWaalsContact C-N 3.32Å; S32-N34 PolarHBondContact O-N 3.47Å; N34-F36 VanDerWaalsContact C-N 3.32Å; N34-F36 PolarHBondContact O-N 3.14Å; N34-K37 PolarHBondContact O-N 3.19Å; N34-E38 PolarHBondContact O-N 2.8Å; N34-L82 HydrophobicContact CB-CD1 4Å; N34-L82 HydrophobicContact CB-CD2 3.92Å
35	L	98.6	Very high	95.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-41.5	175	-76	165.2	0	0	0	111.6	L31 S32 E38 A39 I55 F59 N78 L81 L82 L85	L31-L35 HydrophobicContact CD1-CD1 4.4Å; L31-L35 HydrophobicContact CG-CD1 4.04Å; L31-L35 WeakPolarHBondContact O-CB 3.22Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 3.48Å; S32-L35 PolarHBondContact O-N 3.23Å; L35-E38 PolarHBondContact O-N 3.28Å; L35-A39 WeakPolarHBondContact O-CB 3.33Å; L35-A39 PolarHBondContact O-N 3.37Å; L35-I55 HydrophobicContact CB-CD1 3.75Å; L35-I55 HydrophobicContact CB-CG1 4.03Å; L35-I55 HydrophobicContact CB-CG2 4.11Å; L35-I55 WeakPolarHBondContact O-CD1 3.46Å; L35-F59 HydrophobicContact CD1-CE2 3.41Å; L35-F59 VanDerWaalsContact CD1-CE2 3.41Å; L35-F59 HydrophobicContact CD1-CZ 3.67Å; L35-N78 HydrophobicContact CD1-CB 4.23Å; L35-L81 HydrophobicContact CD2-CD2 4.38Å; L35-L81 HydrophobicContact CD2-CG 4.16Å; L35-L82 HydrophobicContact CD2-CB 3.83Å; L35-L82 HydrophobicContact CD2-CD1 3.95Å; L35-L82 HydrophobicContact CG-CB 4.36Å; L35-L82 HydrophobicContact CG-CD1 4.12Å; L35-L85 HydrophobicContact CD2-CD1 3.41Å; L35-L85 VanDerWaalsContact CD2-CD1 3.41Å
36	F	98.2	Very high	95.9	Very high	49 Å²	49	58.8 Å²	58.8	22%	0.215	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-45	174.3	-90.9	-69.4	0	0	0	112.1	S32 S33 N34 E38 A39 Q40 E52 I55 D56	S32-F36 VanDerWaalsContact O-CD2 3.3Å; S32-F36 WeakPolarHBondContact O-CD2 3.39Å; S32-F36 PolarHBondContact O-N 3.39Å; S33-F36 PolarHBondContact O-N 3.29Å; N34-F36 VanDerWaalsContact C-N 3.32Å; N34-F36 PolarHBondContact O-N 3.14Å; F36-E38 VanDerWaalsContact C-N 3.3Å; F36-E38 PolarHBondContact O-N 3.46Å; F36-A39 PolarHBondContact O-N 3.48Å; F36-Q40 VanDerWaalsContact O-CG 3.32Å; F36-Q40 WeakPolarHBondContact O-CG 3.43Å; F36-Q40 PolarHBondContact O-N 2.77Å; F36-E52 HydrophobicContact CD1-CB 4.46Å; F36-E52 HydrophobicContact CD1-CG 4.1Å; F36-E52 HydrophobicContact CE1-CB 3.85Å; F36-E52 HydrophobicContact CE1-CG 3.96Å; F36-I55 HydrophobicContact CD2-CG2 3.68Å; F36-I55 HydrophobicContact CE2-CB 4.12Å; F36-I55 HydrophobicContact CE2-CG2 3.4Å; F36-I55 VanDerWaalsContact CE2-CG2 3.4Å; F36-I55 HydrophobicContact CG-CG2 4.37Å; F36-I55 HydrophobicContact CZ-CB 4.1Å; F36-I55 HydrophobicContact CZ-CG2 3.9Å; F36-D56 HydrophobicContact CZ-CB 4.45Å; F36-D56 VanDerWaalsContact CZ-OD1 3.24Å; F36-D56 WeakPolarHBondContact CZ-OD1 3.2Å
37	K	97.9	Very high	95.9	Very high	126 Å²	126	56.9 Å²	56.9	55%	0.548	28%	0.275	S	S	.	.	H	α-helix	trans	-58.3	-42.6	175.8	-72.9	169.8	-172.7	170	0	111.8	S33 N34 Q40 R41	S33-K37 VanDerWaalsContact O-CG 3.31Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 2.94Å; N34-K37 PolarHBondContact O-N 3.19Å; K37-Q40 PolarHBondContact O-N 3.42Å; K37-R41 WeakPolarHBondContact O-CG 3.32Å
38	E	97.7	Very high	95.9	Very high	39 Å²	39	56 Å²	56	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-69.8	-37.7	176.9	-69	-56.7	141.1	0	0	112.6	N34 L35 F36 Q40 R41 L82 L85 A86	N34-E38 PolarHBondContact O-N 2.8Å; L35-E38 PolarHBondContact O-N 3.28Å; F36-E38 VanDerWaalsContact C-N 3.3Å; F36-E38 PolarHBondContact O-N 3.46Å; E38-Q40 VanDerWaalsContact C-N 3.3Å; E38-Q40 PolarHBondContact O-N 2.96Å; E38-R41 VanDerWaalsContact CD-NH1 3.34Å; E38-R41 WeakPolarHBondContact O-CB 3.15Å; E38-R41 PolarHBondContact O-N 3.32Å; E38-R41 VanDerWaalsContact O-N 3.16Å; E38-R41 IonicContact OE1-NH1 3.53Å; E38-R41 PolarHBondContact OE1-NH1 3.1Å; E38-R41 WeakPolarHBondContact OE2-CD 3.43Å; E38-R41 IonicContact OE2-CZ 3.57Å; E38-R41 IonicContact OE2-NE 3.78Å; E38-R41 IonicContact OE2-NH1 3.53Å; E38-R41 PolarHBondContact OE2-NH1 3.4Å; E38-L82 HydrophobicContact CB-CD1 4.27Å; E38-L82 HydrophobicContact CG-CD1 3.62Å; E38-L85 HydrophobicContact CB-CB 4.15Å; E38-A86 HydrophobicContact CG-CB 4.36Å; E38-A86 WeakPolarHBondContact OE2-CA 3.41Å
39	A	97.3	Very high	95.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-36.4	173.9	0	0	0	0	0	112.4	L35 F36 R41 F42 R48 F51 I55	L35-A39 WeakPolarHBondContact O-CB 3.33Å; L35-A39 PolarHBondContact O-N 3.37Å; F36-A39 PolarHBondContact O-N 3.48Å; A39-R41 PolarHBondContact O-N 2.78Å; A39-F42 WeakPolarHBondContact O-CD2 3.39Å; A39-F42 PolarHBondContact O-N 3.1Å; A39-R48 WeakPolarHBondContact O-CG 3.43Å; A39-F51 HydrophobicContact CB-CB 3.8Å; A39-I55 HydrophobicContact CB-CD1 3.84Å
40	Q	96.3	Very high	95.8	Very high	107 Å²	107	54.9 Å²	54.9	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-19.4	176.4	-71.2	-62.9	-21.8	0	0	113.5	F36 K37 E38 F42 E52	F36-Q40 VanDerWaalsContact O-CG 3.32Å; F36-Q40 WeakPolarHBondContact O-CG 3.43Å; F36-Q40 PolarHBondContact O-N 2.77Å; K37-Q40 PolarHBondContact O-N 3.42Å; E38-Q40 VanDerWaalsContact C-N 3.3Å; E38-Q40 PolarHBondContact O-N 2.96Å; Q40-F42 VanDerWaalsContact C-N 3.28Å; Q40-F42 PolarHBondContact O-N 3.3Å; Q40-E52 PolarHBondContact NE2-OE1 3.32Å
41	R	96.2	Very high	95.8	Very high	105 Å²	105	52.4 Å²	52.4	40%	0.396	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.1	-179.3	-66.8	172.4	64.2	-166.5	-1.4	113.8	K37 E38 A39 A89 N93	K37-R41 WeakPolarHBondContact O-CG 3.32Å; E38-R41 VanDerWaalsContact CD-NH1 3.34Å; E38-R41 WeakPolarHBondContact O-CB 3.15Å; E38-R41 PolarHBondContact O-N 3.32Å; E38-R41 VanDerWaalsContact O-N 3.16Å; E38-R41 IonicContact OE1-NH1 3.53Å; E38-R41 PolarHBondContact OE1-NH1 3.1Å; E38-R41 WeakPolarHBondContact OE2-CD 3.43Å; E38-R41 IonicContact OE2-CZ 3.57Å; E38-R41 IonicContact OE2-NE 3.78Å; E38-R41 IonicContact OE2-NH1 3.53Å; E38-R41 PolarHBondContact OE2-NH1 3.4Å; A39-R41 PolarHBondContact O-N 2.78Å; R41-A89 HydrophobicContact CB-CB 3.89Å; R41-N93 PolarHBondContact O-ND2 3.45Å; R41-N93 PolarHBondContact O-OD1 3.5Å
42	F	94.4	Very high	95.8	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.035	26%	0.255	C	S	.	.			trans	-73.1	131.4	174	-73.5	-94.8	0	0	0	109.9	A39 Q40 I47 R48 F51 L85 Q88 A89 N92	A39-F42 WeakPolarHBondContact O-CD2 3.39Å; A39-F42 PolarHBondContact O-N 3.1Å; Q40-F42 VanDerWaalsContact C-N 3.28Å; Q40-F42 PolarHBondContact O-N 3.3Å; F42-I47 HydrophobicContact CB-CG2 4.4Å; F42-I47 HydrophobicContact CD1-CB 4.22Å; F42-I47 HydrophobicContact CD1-CG2 3.38Å; F42-I47 HydrophobicContact CE1-CG2 3.69Å; F42-I47 HydrophobicContact CG-CG2 3.87Å; F42-I47 HydrophobicContact CZ-CG2 4.41Å; F42-R48 HydrophobicContact CB-CB 4.11Å; F42-R48 PolarHBondContact O-NH1 3.42Å; F42-F51 HydrophobicContact CD2-CD2 4.5Å; F42-F51 HydrophobicContact CE1-CE2 4.29Å; F42-F51 HydrophobicContact CE2-CD2 4.14Å; F42-F51 HydrophobicContact CE2-CE2 4.29Å; F42-F51 HydrophobicContact CZ-CD2 4.23Å; F42-F51 AromaticContact CZ-CE2 3.92Å; F42-F51 HydrophobicContact CZ-CE2 3.92Å; F42-L85 HydrophobicContact CD2-CD2 4.49Å; F42-L85 HydrophobicContact CE2-CD2 3.43Å; F42-L85 VanDerWaalsContact CE2-CD2 3.43Å; F42-L85 HydrophobicContact CZ-CD2 3.9Å; F42-Q88 HydrophobicContact CE1-CB 4.01Å; F42-Q88 HydrophobicContact CZ-CB 3.72Å; F42-A89 HydrophobicContact CD2-CB 4.06Å; F42-A89 HydrophobicContact CE2-CB 3.72Å; F42-A89 HydrophobicContact CZ-CB 3.99Å; F42-A89 VanDerWaalsContact CZ-N 3.34Å; F42-N92 HydrophobicContact CD1-CB 3.82Å; F42-N92 HydrophobicContact CE1-CB 4.14Å
43	T	91.5	Very high	95.8	Very high	53 Å²	53	60.2 Å²	60.2	33%	0.325	28%	0.275	S	S	.	.	S	Bend	trans	-72.7	-37.2	175.2	53	0	0	0	0	111.2	Y45 R48 N92 N93	T43-Y45 PolarHBondContact O-N 3.26Å; T43-R48 PolarHBondContact O-NH1 3.05Å; T43-N92 PolarHBondContact N-OD1 3.47Å; T43-N92 PolarHBondContact OG1-OD1 2.95Å; T43-N93 VanDerWaalsContact CG2-OD1 3.27Å; T43-N93 WeakPolarHBondContact CG2-OD1 3.32Å
44	D	91	Very high	95.8	Very high	27 Å²	27	61.3 Å²	61.3	14%	0.144	27%	0.273	C	S	.	.	S	Bend	trans	-70.1	117.5	178.3	-167.7	-66.3	0	0	0	112	N46 I47 R48 S97	D44-N46 VanDerWaalsContact C-N 3.33Å; D44-N46 PolarHBondContact O-N 3.43Å; D44-N46 WeakPolarHBondContact OD1-CA 3.33Å; D44-N46 WeakPolarHBondContact OD1-CB 3.42Å; D44-N46 PolarHBondContact OD1-N 2.95Å; D44-I47 HydrophobicContact CB-CB 4Å; D44-I47 HydrophobicContact CB-CD1 3.79Å; D44-I47 HydrophobicContact CB-CG1 3.86Å; D44-I47 PolarHBondContact O-N 2.63Å; D44-I47 PolarHBondContact OD1-N 2.77Å; D44-I47 VanDerWaalsContact OD1-N 3.1Å; D44-R48 WeakPolarHBondContact O-CB 3.44Å; D44-R48 PolarHBondContact O-N 2.81Å; D44-S97 VanDerWaalsContact CB-OG 3.25Å; D44-S97 WeakPolarHBondContact CB-OG 3.41Å; D44-S97 WeakPolarHBondContact OD2-CB 3.38Å; D44-S97 PolarHBondContact OD2-OG 2.97Å
45	Y	91.2	Very high	95.8	Very high	86 Å²	86	58.2 Å²	58.2	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-51	-48.4	175.8	-179.6	-100.4	0	0	0	113.6	T43 I47 R48 S49 E103	T43-Y45 PolarHBondContact O-N 3.26Å; Y45-I47 VanDerWaalsContact C-N 3.32Å; Y45-I47 PolarHBondContact O-N 2.94Å; Y45-R48 PolarHBondContact O-N 3.16Å; Y45-S49 WeakPolarHBondContact O-CB 3.36Å; Y45-S49 PolarHBondContact O-N 3.23Å; Y45-S49 PolarHBondContact O-OG 3.22Å; Y45-E103 WeakPolarHBondContact CB-OE1 3.46Å; Y45-E103 HydrophobicContact CD2-CG 4.28Å; Y45-E103 HydrophobicContact CG-CG 4.23Å; Y45-E103 PolarHBondContact N-OE1 3.35Å
46	N	92.3	Very high	95.7	Very high	85 Å²	85	62.8 Å²	62.8	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-39.4	-172.6	-64.1	-50	0	0	0	110.5	D44 Y50	D44-N46 VanDerWaalsContact C-N 3.33Å; D44-N46 PolarHBondContact O-N 3.43Å; D44-N46 WeakPolarHBondContact OD1-CA 3.33Å; D44-N46 WeakPolarHBondContact OD1-CB 3.42Å; D44-N46 PolarHBondContact OD1-N 2.95Å; N46-Y50 WeakPolarHBondContact O-CB 3.49Å; N46-Y50 PolarHBondContact O-N 2.99Å
47	I	94	Very high	95.7	Very high	58 Å²	58	67.3 Å²	67.3	30%	0.297	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-48	176.3	-58.3	178.7	0	0	0	110.2	F42 D44 Y45 Y50 F51	F42-I47 HydrophobicContact CB-CG2 4.4Å; F42-I47 HydrophobicContact CD1-CB 4.22Å; F42-I47 HydrophobicContact CD1-CG2 3.38Å; F42-I47 HydrophobicContact CE1-CG2 3.69Å; F42-I47 HydrophobicContact CG-CG2 3.87Å; F42-I47 HydrophobicContact CZ-CG2 4.41Å; D44-I47 HydrophobicContact CB-CB 4Å; D44-I47 HydrophobicContact CB-CD1 3.79Å; D44-I47 HydrophobicContact CB-CG1 3.86Å; D44-I47 PolarHBondContact O-N 2.63Å; D44-I47 PolarHBondContact OD1-N 2.77Å; D44-I47 VanDerWaalsContact OD1-N 3.1Å; Y45-I47 VanDerWaalsContact C-N 3.32Å; Y45-I47 PolarHBondContact O-N 2.94Å; I47-Y50 PolarHBondContact O-N 3.38Å; I47-F51 HydrophobicContact CG2-CD2 3.67Å; I47-F51 HydrophobicContact CG2-CE2 3.54Å; I47-F51 VanDerWaalsContact O-CD2 3.28Å; I47-F51 WeakPolarHBondContact O-CD2 3.33Å; I47-F51 PolarHBondContact O-N 2.94Å
48	R	95.2	Very high	95.7	Very high	42 Å²	42	63.2 Å²	63.2	16%	0.158	29%	0.285	C	S	.	.	H	α-helix	trans	-55.1	-56	177	-179.9	163.9	68.1	-104.2	-0.3	111.4	A39 F42 T43 D44 Y45 Y50 F51 E52 E103	A39-R48 WeakPolarHBondContact O-CG 3.43Å; F42-R48 HydrophobicContact CB-CB 4.11Å; F42-R48 PolarHBondContact O-NH1 3.42Å; T43-R48 PolarHBondContact O-NH1 3.05Å; D44-R48 WeakPolarHBondContact O-CB 3.44Å; D44-R48 PolarHBondContact O-N 2.81Å; Y45-R48 PolarHBondContact O-N 3.16Å; R48-Y50 VanDerWaalsContact C-N 3.32Å; R48-Y50 PolarHBondContact O-N 3.08Å; R48-F51 PolarHBondContact O-N 3.22Å; R48-E52 WeakPolarHBondContact CG-OE1 3.48Å; R48-E52 WeakPolarHBondContact O-CG 3.19Å; R48-E52 PolarHBondContact O-N 3.23Å; R48-E103 IonicContact CZ-OE1 2.69Å; R48-E103 IonicContact NH1-OE1 3.18Å; R48-E103 IonicContact NH2-OE1 2.76Å; R48-E103 PolarHBondContact NH2-OE1 3.42Å
49	S	95.3	Very high	95.7	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-30.6	179.5	-65.1	0	0	0	0	113.6	Y45 R53	Y45-S49 WeakPolarHBondContact O-CB 3.36Å; Y45-S49 PolarHBondContact O-N 3.23Å; Y45-S49 PolarHBondContact O-OG 3.22Å; S49-R53 WeakPolarHBondContact O-CG 3.45Å; S49-R53 PolarHBondContact O-N 3.34Å; S49-R53 PolarHBondContact O-NE 3.37Å
50	Y	96.1	Very high	95.6	Very high	119 Å²	119	69 Å²	69	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-48.1	172.7	167.2	-101.2	0	0	0	111.2	N46 I47 R48 R53 K54	N46-Y50 WeakPolarHBondContact O-CB 3.49Å; N46-Y50 PolarHBondContact O-N 2.99Å; I47-Y50 PolarHBondContact O-N 3.38Å; R48-Y50 VanDerWaalsContact C-N 3.32Å; R48-Y50 PolarHBondContact O-N 3.08Å; Y50-R53 PolarHBondContact O-N 2.85Å; Y50-K54 HydrophobicContact CE1-CD 4.06Å; Y50-K54 VanDerWaalsContact O-CB 3.31Å; Y50-K54 WeakPolarHBondContact O-CB 3.37Å; Y50-K54 PolarHBondContact O-N 3.15Å
51	F	97.5	Very high	95.6	Very high	34 Å²	34	67.8 Å²	67.8	15%	0.149	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-41.5	-179.6	-79.1	-64.2	0	0	0	112.1	A39 F42 I47 R48 R53 K54 I55 L85	A39-F51 HydrophobicContact CB-CB 3.8Å; F42-F51 HydrophobicContact CD2-CD2 4.5Å; F42-F51 HydrophobicContact CE1-CE2 4.29Å; F42-F51 HydrophobicContact CE2-CD2 4.14Å; F42-F51 HydrophobicContact CE2-CE2 4.29Å; F42-F51 HydrophobicContact CZ-CD2 4.23Å; F42-F51 AromaticContact CZ-CE2 3.92Å; F42-F51 HydrophobicContact CZ-CE2 3.92Å; I47-F51 HydrophobicContact CG2-CD2 3.67Å; I47-F51 HydrophobicContact CG2-CE2 3.54Å; I47-F51 VanDerWaalsContact O-CD2 3.28Å; I47-F51 WeakPolarHBondContact O-CD2 3.33Å; I47-F51 PolarHBondContact O-N 2.94Å; R48-F51 PolarHBondContact O-N 3.22Å; F51-R53 PolarHBondContact O-N 2.98Å; F51-K54 PolarHBondContact O-N 2.86Å; F51-K54 VanDerWaalsContact O-N 3.16Å; F51-I55 HydrophobicContact CB-CD1 4.43Å; F51-I55 WeakPolarHBondContact O-CB 3.3Å; F51-I55 WeakPolarHBondContact O-CD1 3.43Å; F51-I55 WeakPolarHBondContact O-CG1 3.5Å; F51-I55 PolarHBondContact O-N 3.16Å; F51-L85 HydrophobicContact CB-CD2 4.29Å; F51-L85 HydrophobicContact CD1-CD1 4.35Å; F51-L85 HydrophobicContact CD1-CD2 3.83Å; F51-L85 HydrophobicContact CD1-CG 4.35Å; F51-L85 HydrophobicContact CD2-CD2 3.86Å; F51-L85 HydrophobicContact CE1-CD2 4.04Å; F51-L85 HydrophobicContact CE1-CG 4.36Å; F51-L85 HydrophobicContact CE2-CD2 4.07Å; F51-L85 HydrophobicContact CG-CD2 3.74Å; F51-L85 HydrophobicContact CZ-CD2 4.17Å
52	E	97.6	Very high	95.6	Very high	43 Å²	43	63.7 Å²	63.7	20%	0.201	29%	0.292	C	S	.	.	H	α-helix	trans	-52.8	-53.5	173.4	-72.6	168.4	-177	0	0	111.8	F36 Q40 R48 K54 I55 D56	F36-E52 HydrophobicContact CD1-CB 4.46Å; F36-E52 HydrophobicContact CD1-CG 4.1Å; F36-E52 HydrophobicContact CE1-CB 3.85Å; F36-E52 HydrophobicContact CE1-CG 3.96Å; Q40-E52 PolarHBondContact NE2-OE1 3.32Å; R48-E52 WeakPolarHBondContact CG-OE1 3.48Å; R48-E52 WeakPolarHBondContact O-CG 3.19Å; R48-E52 PolarHBondContact O-N 3.23Å; E52-K54 VanDerWaalsContact C-N 3.31Å; E52-K54 PolarHBondContact O-N 3.35Å; E52-I55 PolarHBondContact O-N 2.98Å; E52-D56 PolarHBondContact O-N 3.13Å
53	R	98.1	Very high	95.6	Very high	155 Å²	155	67.1 Å²	67.1	59%	0.585	32%	0.317	S	S	*	.	H	α-helix	trans	-62	-38.5	178.1	-70.6	-173.4	-62.5	-106.5	1.4	112.6	S49 Y50 F51 K57	S49-R53 WeakPolarHBondContact O-CG 3.45Å; S49-R53 PolarHBondContact O-N 3.34Å; S49-R53 PolarHBondContact O-NE 3.37Å; Y50-R53 PolarHBondContact O-N 2.85Å; F51-R53 PolarHBondContact O-N 2.98Å; R53-K57 WeakPolarHBondContact O-CB 3.43Å; R53-K57 PolarHBondContact O-N 3.01Å
54	K	97.4	Very high	95.7	Very high	75 Å²	75	71.1 Å²	71.1	33%	0.326	33%	0.332	S	S	.	.	H	α-helix	trans	-65.8	-44.4	178.6	-178.9	176.4	177.4	-179.1	0	110.8	Y50 F51 E52 K57 I58	Y50-K54 HydrophobicContact CE1-CD 4.06Å; Y50-K54 VanDerWaalsContact O-CB 3.31Å; Y50-K54 WeakPolarHBondContact O-CB 3.37Å; Y50-K54 PolarHBondContact O-N 3.15Å; F51-K54 PolarHBondContact O-N 2.86Å; F51-K54 VanDerWaalsContact O-N 3.16Å; E52-K54 VanDerWaalsContact C-N 3.31Å; E52-K54 PolarHBondContact O-N 3.35Å; K54-K57 PolarHBondContact O-N 3.22Å; K54-I58 HydrophobicContact CD-CD1 4.49Å; K54-I58 HydrophobicContact CG-CD1 3.78Å; K54-I58 HydrophobicContact CG-CG1 4.49Å; K54-I58 WeakPolarHBondContact O-CB 3.24Å; K54-I58 WeakPolarHBondContact O-CD1 3.46Å; K54-I58 WeakPolarHBondContact O-CG1 3.2Å; K54-I58 PolarHBondContact O-N 2.69Å
55	I	97.9	Very high	95.9	Very high	2 Å²	2	72 Å²	72	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-62.6	-49.5	177.8	-66	157.9	0	0	0	109.3	L35 F36 A39 F51 E52 K57 I58 F59 L85	L35-I55 HydrophobicContact CB-CD1 3.75Å; L35-I55 HydrophobicContact CB-CG1 4.03Å; L35-I55 HydrophobicContact CB-CG2 4.11Å; L35-I55 WeakPolarHBondContact O-CD1 3.46Å; F36-I55 HydrophobicContact CD2-CG2 3.68Å; F36-I55 HydrophobicContact CE2-CB 4.12Å; F36-I55 HydrophobicContact CE2-CG2 3.4Å; F36-I55 VanDerWaalsContact CE2-CG2 3.4Å; F36-I55 HydrophobicContact CG-CG2 4.37Å; F36-I55 HydrophobicContact CZ-CB 4.1Å; F36-I55 HydrophobicContact CZ-CG2 3.9Å; A39-I55 HydrophobicContact CB-CD1 3.84Å; F51-I55 HydrophobicContact CB-CD1 4.43Å; F51-I55 WeakPolarHBondContact O-CB 3.3Å; F51-I55 WeakPolarHBondContact O-CD1 3.43Å; F51-I55 WeakPolarHBondContact O-CG1 3.5Å; F51-I55 PolarHBondContact O-N 3.16Å; E52-I55 PolarHBondContact O-N 2.98Å; I55-K57 VanDerWaalsContact C-N 3.32Å; I55-K57 PolarHBondContact O-N 3.46Å; I55-I58 PolarHBondContact O-N 3.18Å; I55-I58 VanDerWaalsContact O-N 3.1Å; I55-F59 HydrophobicContact CG2-CD2 3.79Å; I55-F59 HydrophobicContact CG2-CE2 4.08Å; I55-F59 WeakPolarHBondContact O-CD2 3.38Å; I55-F59 PolarHBondContact O-N 2.87Å; I55-L85 HydrophobicContact CD1-CD1 4.48Å
56	D	97.6	Very high	95.9	Very high	96 Å²	96	77 Å²	77	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-53.4	-48.7	176.2	-92	-22	0	0	0	112.2	F36 E52 I58 F59 K60	F36-D56 HydrophobicContact CZ-CB 4.45Å; F36-D56 VanDerWaalsContact CZ-OD1 3.24Å; F36-D56 WeakPolarHBondContact CZ-OD1 3.2Å; E52-D56 PolarHBondContact O-N 3.13Å; D56-I58 PolarHBondContact O-N 3.46Å; D56-F59 PolarHBondContact O-N 3.16Å; D56-K60 WeakPolarHBondContact O-CB 3.43Å; D56-K60 PolarHBondContact O-N 3.41Å
57	K	98.1	Very high	95.9	Very high	145 Å²	145	76.6 Å²	76.6	63%	0.63	36%	0.363	S	S	*	.	H	α-helix	trans	-62.4	-42.8	179	-174	176.1	179.9	178.5	0	111.9	R53 K54 I55 N61	R53-K57 WeakPolarHBondContact O-CB 3.43Å; R53-K57 PolarHBondContact O-N 3.01Å; K54-K57 PolarHBondContact O-N 3.22Å; I55-K57 VanDerWaalsContact C-N 3.32Å; I55-K57 PolarHBondContact O-N 3.46Å; K57-N61 WeakPolarHBondContact O-CB 3.39Å; K57-N61 PolarHBondContact O-N 3.16Å; K57-N61 VanDerWaalsContact O-N 3.13Å; K57-N61 PolarHBondContact O-ND2 2.92Å; K57-N61 PolarHBondContact O-OD1 3.22Å
58	I	97.4	Very high	95.8	Very high	39 Å²	39	76.1 Å²	76.1	20%	0.2	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-50.6	179.7	-72.5	166.6	0	0	0	110.5	K54 I55 D56 N61 L62 L81	K54-I58 HydrophobicContact CD-CD1 4.49Å; K54-I58 HydrophobicContact CG-CD1 3.78Å; K54-I58 HydrophobicContact CG-CG1 4.49Å; K54-I58 WeakPolarHBondContact O-CB 3.24Å; K54-I58 WeakPolarHBondContact O-CD1 3.46Å; K54-I58 WeakPolarHBondContact O-CG1 3.2Å; K54-I58 PolarHBondContact O-N 2.69Å; I55-I58 PolarHBondContact O-N 3.18Å; I55-I58 VanDerWaalsContact O-N 3.1Å; D56-I58 PolarHBondContact O-N 3.46Å; I58-N61 PolarHBondContact O-N 3.13Å; I58-N61 VanDerWaalsContact O-N 3.16Å; I58-L62 HydrophobicContact CG2-CD1 3.84Å; I58-L62 HydrophobicContact CG2-CG 4.31Å; I58-L62 WeakPolarHBondContact O-CG 3.48Å; I58-L62 PolarHBondContact O-N 3.2Å; I58-L81 HydrophobicContact CD1-CD2 4.49Å
59	F	96.7	Very high	95.7	Very high	19 Å²	19	80 Å²	80	8%	0.083	39%	0.391	C	S	.	.	H	α-helix	trans	-74.7	-28	-175	-79.3	-92.6	0	0	0	113	L28 L31 L35 I55 D56 N61 S63 N78	L28-F59 HydrophobicContact CB-CD1 4.39Å; L28-F59 HydrophobicContact CD2-CD1 3.62Å; L28-F59 HydrophobicContact CD2-CE1 3.79Å; L28-F59 WeakPolarHBondContact O-CD1 3.31Å; L28-F59 WeakPolarHBondContact O-CE1 3.35Å; L31-F59 HydrophobicContact CB-CE1 4.14Å; L31-F59 HydrophobicContact CB-CZ 4.04Å; L31-F59 HydrophobicContact CD2-CE1 4.4Å; L31-F59 HydrophobicContact CD2-CZ 3.95Å; L31-F59 HydrophobicContact CG-CE1 4.36Å; L31-F59 HydrophobicContact CG-CZ 3.8Å; L35-F59 HydrophobicContact CD1-CE2 3.41Å; L35-F59 VanDerWaalsContact CD1-CE2 3.41Å; L35-F59 HydrophobicContact CD1-CZ 3.67Å; I55-F59 HydrophobicContact CG2-CD2 3.79Å; I55-F59 HydrophobicContact CG2-CE2 4.08Å; I55-F59 WeakPolarHBondContact O-CD2 3.38Å; I55-F59 PolarHBondContact O-N 2.87Å; D56-F59 PolarHBondContact O-N 3.16Å; F59-N61 VanDerWaalsContact C-N 3.32Å; F59-S63 WeakPolarHBondContact O-CB 3.31Å; F59-S63 PolarHBondContact O-N 2.92Å; F59-S63 PolarHBondContact O-OG 2.89Å; F59-N78 HydrophobicContact CZ-CB 4.35Å
60	K	96.2	Very high	95.7	Very high	141 Å²	141	84.3 Å²	84.3	61%	0.613	41%	0.412	S	S	*	.	H	α-helix	trans	-63.3	-38.3	167.3	-176.2	175.8	-179.7	177.6	0	112.2	D56 S63 Q64	D56-K60 WeakPolarHBondContact O-CB 3.43Å; D56-K60 PolarHBondContact O-N 3.41Å; K60-S63 PolarHBondContact O-OG 3.41Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å
61	N	96.4	Very high	95.6	Very high	83 Å²	83	79.3 Å²	79.3	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-74.6	-43.2	177.7	-69.6	-9.3	0	0	0	111.4	K57 I58 F59 S63 Q64	K57-N61 WeakPolarHBondContact O-CB 3.39Å; K57-N61 PolarHBondContact O-N 3.16Å; K57-N61 VanDerWaalsContact O-N 3.13Å; K57-N61 PolarHBondContact O-ND2 2.92Å; K57-N61 PolarHBondContact O-OD1 3.22Å; I58-N61 PolarHBondContact O-N 3.13Å; I58-N61 VanDerWaalsContact O-N 3.16Å; F59-N61 VanDerWaalsContact C-N 3.32Å; N61-S63 VanDerWaalsContact C-N 3.31Å; N61-S63 PolarHBondContact O-N 2.92Å; N61-Q64 PolarHBondContact O-N 3.48Å; N61-Q64 VanDerWaalsContact O-N 3.16Å
62	L	96	Very high	95.5	Very high	18 Å²	18	79.9 Å²	79.9	9%	0.094	40%	0.397	C	S	.	.	H	α-helix	trans	-64.6	-33.6	179.7	-72.7	176	0	0	0	112.6	L28 I58 Q64 V65 L71	L28-L62 HydrophobicContact CD2-CB 3.77Å; L28-L62 HydrophobicContact CD2-CD1 4.15Å; I58-L62 HydrophobicContact CG2-CD1 3.84Å; I58-L62 HydrophobicContact CG2-CG 4.31Å; I58-L62 WeakPolarHBondContact O-CG 3.48Å; I58-L62 PolarHBondContact O-N 3.2Å; L62-Q64 PolarHBondContact O-N 2.89Å; L62-V65 PolarHBondContact O-N 3.45Å; L62-V65 VanDerWaalsContact O-N 3.15Å; L62-L71 HydrophobicContact CB-CD1 4.18Å; L62-L71 HydrophobicContact CD2-CD1 4.38Å
63	S	93.6	Very high	95.5	Very high	81 Å²	81	82.4 Å²	82.4	57%	0.566	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-12.2	176.9	65.7	0	0	0	0	114.1	F59 K60 N61	F59-S63 WeakPolarHBondContact O-CB 3.31Å; F59-S63 PolarHBondContact O-N 2.92Å; F59-S63 PolarHBondContact O-OG 2.89Å; K60-S63 PolarHBondContact O-OG 3.41Å; N61-S63 VanDerWaalsContact C-N 3.31Å; N61-S63 PolarHBondContact O-N 2.92Å
64	Q	94.4	Very high	95.4	Very high	136 Å²	136	75.6 Å²	75.6	64%	0.636	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-2.8	176.4	-62.6	178.7	-28	0	0	112.9	K60 N61 L62	K60-Q64 WeakPolarHBondContact O-CG 3.44Å; N61-Q64 PolarHBondContact O-N 3.48Å; N61-Q64 VanDerWaalsContact O-N 3.16Å; L62-Q64 PolarHBondContact O-N 2.89Å
65	V	94.3	Very high	95.4	Very high	45 Å²	45	72 Å²	72	27%	0.273	38%	0.378	S	S	.	.			trans	-83.5	121.1	-179.9	177.4	0	0	0	0	109.7	L62 D67 I70 L71	L62-V65 PolarHBondContact O-N 3.45Å; L62-V65 VanDerWaalsContact O-N 3.15Å; V65-D67 WeakPolarHBondContact CG1-O 3.49Å; V65-I70 HydrophobicContact CG1-CB 3.79Å; V65-I70 HydrophobicContact CG1-CG2 3.76Å; V65-L71 HydrophobicContact CG1-CB 4.18Å
66	E	91.4	Very high	95.3	Very high	192 Å²	192	77.2 Å²	77.2	90%	0.897	40%	0.401	S	S	*	.			trans	-89.2	-29.1	176.8	-62.8	-178.3	178.4	0	0	112.9	A68	E66-A68 PolarHBondContact O-N 3.34Å
67	D	92.8	Very high	95.3	Very high	76 Å²	76	79.7 Å²	79.7	41%	0.406	41%	0.407	S	S	.	.			trans	-72.6	113.7	178.8	-173.2	-47.7	0	0	0	110.6	V65 N69 I70 L71	V65-D67 WeakPolarHBondContact CG1-O 3.49Å; D67-N69 VanDerWaalsContact C-N 3.26Å; D67-N69 PolarHBondContact O-N 3.41Å; D67-N69 WeakPolarHBondContact OD1-CA 3.45Å; D67-N69 VanDerWaalsContact OD1-CB 3.31Å; D67-N69 WeakPolarHBondContact OD1-CB 3.21Å; D67-N69 PolarHBondContact OD1-N 3.23Å; D67-I70 HydrophobicContact CB-CB 4.11Å; D67-I70 HydrophobicContact CB-CD1 3.82Å; D67-I70 HydrophobicContact CB-CG1 3.88Å; D67-I70 PolarHBondContact O-N 3.45Å; D67-I70 PolarHBondContact OD1-N 3.22Å; D67-L71 WeakPolarHBondContact O-CB 3.44Å; D67-L71 PolarHBondContact O-N 3.27Å
68	A	91.5	Very high	95.3	Very high	48 Å²	48	73.2 Å²	73.2	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-31.8	-178	0	0	0	0	0	113.6	F24 E66 E72	F24-A68 HydrophobicContact CE2-CB 4.3Å; F24-A68 HydrophobicContact CZ-CB 4.31Å; E66-A68 PolarHBondContact O-N 3.34Å; A68-E72 VanDerWaalsContact O-CB 3.31Å; A68-E72 WeakPolarHBondContact O-CB 3.45Å; A68-E72 PolarHBondContact O-N 2.79Å
69	N	93.7	Very high	95.3	Very high	124 Å²	124	75.1 Å²	75.1	66%	0.663	39%	0.387	S	S	*	.	H	α-helix	trans	-73.5	-39.8	178.8	-61.7	-55.1	0	0	0	111.3	D67 L71 T73	D67-N69 VanDerWaalsContact C-N 3.26Å; D67-N69 PolarHBondContact O-N 3.41Å; D67-N69 WeakPolarHBondContact OD1-CA 3.45Å; D67-N69 VanDerWaalsContact OD1-CB 3.31Å; D67-N69 WeakPolarHBondContact OD1-CB 3.21Å; D67-N69 PolarHBondContact OD1-N 3.23Å; N69-L71 VanDerWaalsContact C-N 3.34Å; N69-T73 WeakPolarHBondContact O-CB 3.31Å; N69-T73 PolarHBondContact O-N 3Å; N69-T73 PolarHBondContact O-OG1 2.99Å
70	I	94.9	Very high	95.4	Very high	99 Å²	99	80.4 Å²	80.4	51%	0.508	41%	0.412	S	S	.	.	H	α-helix	trans	-65.4	-43.1	175	-59.7	-179.6	0	0	0	109.4	V65 D67 T73 G74	V65-I70 HydrophobicContact CG1-CB 3.79Å; V65-I70 HydrophobicContact CG1-CG2 3.76Å; D67-I70 HydrophobicContact CB-CB 4.11Å; D67-I70 HydrophobicContact CB-CD1 3.82Å; D67-I70 HydrophobicContact CB-CG1 3.88Å; D67-I70 PolarHBondContact O-N 3.45Å; D67-I70 PolarHBondContact OD1-N 3.22Å; I70-T73 PolarHBondContact O-N 3.48Å; I70-G74 PolarHBondContact O-N 2.96Å
71	L	95	Very high	95.4	Very high	15 Å²	15	75.3 Å²	75.3	8%	0.079	39%	0.392	C	S	.	.	H	α-helix	trans	-62.8	-46.1	177.6	-175.7	58.2	0	0	0	112	F24 L28 L62 V65 D67 N69 T73 G74 L75	F24-L71 HydrophobicContact CB-CD2 3.82Å; F24-L71 HydrophobicContact CD1-CD2 3.8Å; F24-L71 HydrophobicContact CD1-CG 4.17Å; F24-L71 HydrophobicContact CD2-CD2 4.34Å; F24-L71 HydrophobicContact CE1-CD2 4.45Å; F24-L71 HydrophobicContact CG-CD2 3.75Å; L28-L71 HydrophobicContact CD1-CD1 4.22Å; L28-L71 HydrophobicContact CD2-CD1 4.29Å; L62-L71 HydrophobicContact CB-CD1 4.18Å; L62-L71 HydrophobicContact CD2-CD1 4.38Å; V65-L71 HydrophobicContact CG1-CB 4.18Å; D67-L71 WeakPolarHBondContact O-CB 3.44Å; D67-L71 PolarHBondContact O-N 3.27Å; N69-L71 VanDerWaalsContact C-N 3.34Å; L71-T73 PolarHBondContact O-N 3.15Å; L71-G74 PolarHBondContact O-N 3.23Å; L71-L75 HydrophobicContact CG-CD1 4.38Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.85Å
72	E	95.1	Very high	95.5	Very high	46 Å²	46	73.2 Å²	73.2	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-44.3	177	-175.5	59.7	-150.5	0	0	111.8	F24 R27 A68 G74 L75 K76	F24-E72 WeakPolarHBondContact CE1-OE2 3.31Å; R27-E72 IonicContact CZ-OE1 3.68Å; R27-E72 IonicContact CZ-OE2 3.49Å; R27-E72 IonicContact NH1-OE1 3.44Å; R27-E72 PolarHBondContact NH1-OE1 3.35Å; R27-E72 IonicContact NH1-OE2 2.67Å; R27-E72 PolarHBondContact NH1-OE2 2.96Å; R27-E72 IonicContact NH2-OE1 2.98Å; R27-E72 PolarHBondContact NH2-OE1 2.97Å; R27-E72 IonicContact NH2-OE2 3.47Å; R27-E72 PolarHBondContact NH2-OE2 3.13Å; A68-E72 VanDerWaalsContact O-CB 3.31Å; A68-E72 WeakPolarHBondContact O-CB 3.45Å; A68-E72 PolarHBondContact O-N 2.79Å; E72-G74 VanDerWaalsContact C-N 3.31Å; E72-G74 PolarHBondContact O-N 3.04Å; E72-L75 PolarHBondContact O-N 2.93Å; E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.25Å; E72-K76 WeakPolarHBondContact OE1-CE 3.36Å
73	T	96.6	Very high	95.6	Very high	95 Å²	95	78.1 Å²	78.1	58%	0.583	40%	0.402	S	S	*	.	H	α-helix	trans	-61.9	-41.9	176.2	-57.3	0	0	0	0	111	N69 I70 L71 K77	N69-T73 WeakPolarHBondContact O-CB 3.31Å; N69-T73 PolarHBondContact O-N 3Å; N69-T73 PolarHBondContact O-OG1 2.99Å; I70-T73 PolarHBondContact O-N 3.48Å; L71-T73 PolarHBondContact O-N 3.15Å; T73-K77 WeakPolarHBondContact O-CB 3.38Å; T73-K77 PolarHBondContact O-N 3.19Å; T73-K77 VanDerWaalsContact O-N 3.08Å
74	G	97.1	Very high	95.7	Very high	13 Å²	13	77.1 Å²	77.1	13%	0.134	39%	0.393	C	S	.	.	H	α-helix	trans	-62	-43.2	174.9	0	0	0	0	0	112.9	I70 L71 E72 N78	I70-G74 PolarHBondContact O-N 2.96Å; L71-G74 PolarHBondContact O-N 3.23Å; E72-G74 VanDerWaalsContact C-N 3.31Å; E72-G74 PolarHBondContact O-N 3.04Å; G74-N78 PolarHBondContact O-N 3.26Å; G74-N78 PolarHBondContact O-ND2 2.9Å
75	L	96.6	Very high	95.9	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-51.6	176.2	-77.3	170.8	0	0	0	111.3	F24 R27 L28 L31 L71 E72 K77 N78 E79	F24-L75 HydrophobicContact CD1-CD1 3.87Å; F24-L75 HydrophobicContact CE1-CD1 4.38Å; R27-L75 HydrophobicContact CB-CD1 4.18Å; R27-L75 HydrophobicContact CB-CD2 4.47Å; L28-L75 HydrophobicContact CD2-CD2 3.82Å; L28-L75 HydrophobicContact CG-CD2 4.09Å; L31-L75 HydrophobicContact CD2-CD2 3.88Å; L71-L75 HydrophobicContact CG-CD1 4.38Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.85Å; E72-L75 PolarHBondContact O-N 2.93Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.25Å; L75-N78 CarbonylContact O-C 3.53Å; L75-N78 WeakPolarHBondContact O-CA 3.41Å; L75-N78 PolarHBondContact O-N 3Å; L75-E79 WeakPolarHBondContact O-CG 3.28Å; L75-E79 PolarHBondContact O-N 2.91Å
76	K	97	Very high	96	Very high	111 Å²	111	69.8 Å²	69.8	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-56.1	-45	178.5	-74.9	-178	177.2	-179.8	0	112.9	E72 N78 E79 E80	E72-K76 WeakPolarHBondContact O-CG 3.36Å; E72-K76 PolarHBondContact O-N 3.25Å; E72-K76 WeakPolarHBondContact OE1-CE 3.36Å; K76-N78 PolarHBondContact O-N 3.34Å; K76-E79 WeakPolarHBondContact O-CB 3.38Å; K76-E79 PolarHBondContact O-N 3.48Å; K76-E79 VanDerWaalsContact O-N 3.15Å; K76-E80 PolarHBondContact O-N 2.88Å
77	K	97.6	Very high	96.3	Very high	147 Å²	147	66.8 Å²	66.8	64%	0.639	34%	0.341	S	S	*	.	H	α-helix	trans	-59.7	-33.1	176.1	-176.1	175.3	-179	175.3	0	112.7	T73 L75 L81	T73-K77 WeakPolarHBondContact O-CB 3.38Å; T73-K77 PolarHBondContact O-N 3.19Å; T73-K77 VanDerWaalsContact O-N 3.08Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.25Å; K77-L81 PolarHBondContact O-N 2.79Å; K77-L81 VanDerWaalsContact O-N 3.13Å
78	N	97.7	Very high	96.5	Very high	10 Å²	10	67.5 Å²	67.5	5%	0.053	34%	0.342	C	S	.	.	H	α-helix	trans	-85.4	-24.4	178.5	-76.4	-76.2	0	0	0	113	L31 L35 F59 G74 L75 K76 L81 L82	L31-N78 HydrophobicContact CD2-CB 3.61Å; L31-N78 HydrophobicContact CG-CB 4.38Å; L35-N78 HydrophobicContact CD1-CB 4.23Å; F59-N78 HydrophobicContact CZ-CB 4.35Å; G74-N78 PolarHBondContact O-N 3.26Å; G74-N78 PolarHBondContact O-ND2 2.9Å; L75-N78 CarbonylContact O-C 3.53Å; L75-N78 WeakPolarHBondContact O-CA 3.41Å; L75-N78 PolarHBondContact O-N 3Å; K76-N78 PolarHBondContact O-N 3.34Å; N78-L81 PolarHBondContact O-N 3.5Å; N78-L82 PolarHBondContact O-N 2.93Å
79	E	97.6	Very high	96.7	Very high	78 Å²	78	65.2 Å²	65.2	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-44.9	166.3	-68.8	164.5	-179.2	0	0	109.9	R27 L31 L75 K76 L81 L82	R27-E79 IonicContact CZ-OE1 3.97Å; R27-E79 IonicContact NE-OE1 3.97Å; R27-E79 IonicContact NH2-OE1 3.13Å; R27-E79 PolarHBondContact NH2-OE1 2.91Å; R27-E79 VanDerWaalsContact NH2-OE1 3.13Å; L31-E79 HydrophobicContact CD1-CG 3.97Å; L31-E79 HydrophobicContact CD2-CG 3.94Å; L75-E79 WeakPolarHBondContact O-CG 3.28Å; L75-E79 PolarHBondContact O-N 2.91Å; K76-E79 WeakPolarHBondContact O-CB 3.38Å; K76-E79 PolarHBondContact O-N 3.48Å; K76-E79 VanDerWaalsContact O-N 3.15Å; E79-L81 PolarHBondContact O-N 3.42Å; E79-L82 WeakPolarHBondContact O-CB 3.41Å; E79-L82 PolarHBondContact O-N 3.44Å
80	E	97.8	Very high	96.8	Very high	131 Å²	131	62.3 Å²	62.3	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-62.1	-41.3	172.2	-67.4	171	-175.3	0	0	112.3	K76 L82 E83 V84	K76-E80 PolarHBondContact O-N 2.88Å; E80-L82 VanDerWaalsContact C-N 3.26Å; E80-L82 PolarHBondContact O-N 3.37Å; E80-E83 PolarHBondContact O-N 2.92Å; E80-V84 PolarHBondContact O-N 3.4Å
81	L	96.7	Very high	96.7	Very high	34 Å²	34	61.6 Å²	61.6	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-35.5	176.5	178.9	61.8	0	0	0	112	L35 I58 K77 N78 E79 E83 V84 L85	L35-L81 HydrophobicContact CD2-CD2 4.38Å; L35-L81 HydrophobicContact CD2-CG 4.16Å; I58-L81 HydrophobicContact CD1-CD2 4.49Å; K77-L81 PolarHBondContact O-N 2.79Å; K77-L81 VanDerWaalsContact O-N 3.13Å; N78-L81 PolarHBondContact O-N 3.5Å; E79-L81 PolarHBondContact O-N 3.42Å; L81-E83 VanDerWaalsContact C-N 3.32Å; L81-E83 PolarHBondContact O-N 3.47Å; L81-V84 PolarHBondContact O-N 2.67Å; L81-L85 HydrophobicContact CD1-CD1 4.36Å; L81-L85 HydrophobicContact CD2-CD1 4.48Å; L81-L85 HydrophobicContact CG-CD1 4.02Å; L81-L85 WeakPolarHBondContact O-CB 3.16Å; L81-L85 PolarHBondContact O-N 2.98Å
82	L	98.2	Very high	96.6	Very high	38 Å²	38	61.8 Å²	61.8	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-44.4	178.1	178.8	63.5	0	0	0	111.1	L31 N34 L35 E38 N78 E79 E80 V84 L85 A86	L31-L82 HydrophobicContact CD1-CB 4.41Å; L31-L82 HydrophobicContact CD1-CD2 4.16Å; N34-L82 HydrophobicContact CB-CD1 4Å; N34-L82 HydrophobicContact CB-CD2 3.92Å; L35-L82 HydrophobicContact CD2-CB 3.83Å; L35-L82 HydrophobicContact CD2-CD1 3.95Å; L35-L82 HydrophobicContact CG-CB 4.36Å; L35-L82 HydrophobicContact CG-CD1 4.12Å; E38-L82 HydrophobicContact CB-CD1 4.27Å; E38-L82 HydrophobicContact CG-CD1 3.62Å; N78-L82 PolarHBondContact O-N 2.93Å; E79-L82 WeakPolarHBondContact O-CB 3.41Å; E79-L82 PolarHBondContact O-N 3.44Å; E80-L82 VanDerWaalsContact C-N 3.26Å; E80-L82 PolarHBondContact O-N 3.37Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 3.01Å; L82-L85 PolarHBondContact O-N 3.3Å; L82-A86 PolarHBondContact O-N 3.16Å
83	E	97.7	Very high	96.4	Very high	121 Å²	121	63 Å²	63	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-65.5	-38.7	176.9	-56.9	-172.9	175.5	0	0	112.3	E80 L81 A86 R87	E80-E83 PolarHBondContact O-N 2.92Å; L81-E83 VanDerWaalsContact C-N 3.32Å; L81-E83 PolarHBondContact O-N 3.47Å; E83-A86 PolarHBondContact O-N 3.45Å; E83-R87 WeakPolarHBondContact O-CG 3.45Å; E83-R87 PolarHBondContact O-N 3.49Å; E83-R87 VanDerWaalsContact O-N 3.14Å; E83-R87 IonicContact OE2-NH1 3.64Å
84	V	96.9	Very high	96.3	Very high	60 Å²	60	63.5 Å²	63.5	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-48.1	174.7	174.1	0	0	0	0	110.2	E80 L81 L82 A86 R87 Q88	E80-V84 PolarHBondContact O-N 3.4Å; L81-V84 PolarHBondContact O-N 2.67Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 3.01Å; V84-A86 PolarHBondContact O-N 3.05Å; V84-R87 PolarHBondContact O-N 3.44Å; V84-Q88 HydrophobicContact CG1-CG 4.17Å; V84-Q88 WeakPolarHBondContact O-CB 3.32Å; V84-Q88 VanDerWaalsContact O-CG 3.27Å; V84-Q88 WeakPolarHBondContact O-CG 3.38Å; V84-Q88 PolarHBondContact O-N 2.95Å
85	L	97.1	Very high	96	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-58.1	-46.1	177.9	-98.7	158.4	0	0	0	111.5	L35 E38 F42 F51 I55 L81 L82 R87 Q88 A89	L35-L85 HydrophobicContact CD2-CD1 3.41Å; L35-L85 VanDerWaalsContact CD2-CD1 3.41Å; E38-L85 HydrophobicContact CB-CB 4.15Å; F42-L85 HydrophobicContact CD2-CD2 4.49Å; F42-L85 HydrophobicContact CE2-CD2 3.43Å; F42-L85 VanDerWaalsContact CE2-CD2 3.43Å; F42-L85 HydrophobicContact CZ-CD2 3.9Å; F51-L85 HydrophobicContact CB-CD2 4.29Å; F51-L85 HydrophobicContact CD1-CD1 4.35Å; F51-L85 HydrophobicContact CD1-CD2 3.83Å; F51-L85 HydrophobicContact CD1-CG 4.35Å; F51-L85 HydrophobicContact CD2-CD2 3.86Å; F51-L85 HydrophobicContact CE1-CD2 4.04Å; F51-L85 HydrophobicContact CE1-CG 4.36Å; F51-L85 HydrophobicContact CE2-CD2 4.07Å; F51-L85 HydrophobicContact CG-CD2 3.74Å; F51-L85 HydrophobicContact CZ-CD2 4.17Å; I55-L85 HydrophobicContact CD1-CD1 4.48Å; L81-L85 HydrophobicContact CD1-CD1 4.36Å; L81-L85 HydrophobicContact CD2-CD1 4.48Å; L81-L85 HydrophobicContact CG-CD1 4.02Å; L81-L85 WeakPolarHBondContact O-CB 3.16Å; L81-L85 PolarHBondContact O-N 2.98Å; L82-L85 PolarHBondContact O-N 3.3Å; L85-R87 VanDerWaalsContact C-N 3.34Å; L85-R87 PolarHBondContact O-N 3.31Å; L85-Q88 PolarHBondContact O-N 3.33Å; L85-A89 WeakPolarHBondContact O-CB 3.34Å; L85-A89 PolarHBondContact O-N 3.4Å
86	A	97.4	Very high	95.3	Very high	27 Å²	27	75.3 Å²	75.3	22%	0.223	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-42	178.8	0	0	0	0	0	112.6	E38 L82 E83 V84 T90	E38-A86 HydrophobicContact CG-CB 4.36Å; E38-A86 WeakPolarHBondContact OE2-CA 3.41Å; L82-A86 PolarHBondContact O-N 3.16Å; E83-A86 PolarHBondContact O-N 3.45Å; V84-A86 PolarHBondContact O-N 3.05Å; A86-T90 WeakPolarHBondContact O-CB 3.3Å; A86-T90 PolarHBondContact O-N 3.44Å; A86-T90 VanDerWaalsContact O-N 3.1Å; A86-T90 PolarHBondContact O-OG1 3.27Å
87	R	97.5	Very high	94.5	Very high	129 Å²	129	72.2 Å²	72.2	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-66.1	-44.6	175	-69.9	-173.7	-64.8	-93.3	2.9	111.7	E83 V84 L85 T90 L91	E83-R87 WeakPolarHBondContact O-CG 3.45Å; E83-R87 PolarHBondContact O-N 3.49Å; E83-R87 VanDerWaalsContact O-N 3.14Å; E83-R87 IonicContact OE2-NH1 3.64Å; V84-R87 PolarHBondContact O-N 3.44Å; L85-R87 VanDerWaalsContact C-N 3.34Å; L85-R87 PolarHBondContact O-N 3.31Å; R87-T90 WeakPolarHBondContact O-CB 3.46Å; R87-T90 PolarHBondContact O-N 3.47Å; R87-L91 WeakPolarHBondContact O-CG 3.4Å; R87-L91 PolarHBondContact O-N 2.91Å
88	Q	96.3	Very high	93.5	Very high	91 Å²	91	68.5 Å²	68.5	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-67.3	-39.7	-178.9	-70.1	-58.6	-37.3	0	0	112.3	F42 V84 L85 T90 L91 N92	F42-Q88 HydrophobicContact CE1-CB 4.01Å; F42-Q88 HydrophobicContact CZ-CB 3.72Å; V84-Q88 HydrophobicContact CG1-CG 4.17Å; V84-Q88 WeakPolarHBondContact O-CB 3.32Å; V84-Q88 VanDerWaalsContact O-CG 3.27Å; V84-Q88 WeakPolarHBondContact O-CG 3.38Å; V84-Q88 PolarHBondContact O-N 2.95Å; L85-Q88 PolarHBondContact O-N 3.33Å; Q88-T90 VanDerWaalsContact C-N 3.31Å; Q88-T90 PolarHBondContact O-N 3.47Å; Q88-L91 PolarHBondContact O-N 3.01Å; Q88-N92 WeakPolarHBondContact O-CB 3.37Å; Q88-N92 PolarHBondContact O-N 3.33Å
89	A	95.5	Very high	92.5	Very high	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-61.2	-42.7	172.7	0	0	0	0	0	110.8	R41 F42 L85 N92 N93	R41-A89 HydrophobicContact CB-CB 3.89Å; F42-A89 HydrophobicContact CD2-CB 4.06Å; F42-A89 HydrophobicContact CE2-CB 3.72Å; F42-A89 HydrophobicContact CZ-CB 3.99Å; F42-A89 VanDerWaalsContact CZ-N 3.34Å; L85-A89 WeakPolarHBondContact O-CB 3.34Å; L85-A89 PolarHBondContact O-N 3.4Å; A89-N92 PolarHBondContact O-N 2.9Å; A89-N93 PolarHBondContact O-N 3.31Å; A89-N93 PolarHBondContact O-ND2 2.92Å
90	T	95.9	Very high	91.6	Very high	63 Å²	63	74 Å²	74	39%	0.387	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-46.7	176.6	-56.6	0	0	0	0	111.5	A86 R87 Q88 N92 N93 I94	A86-T90 WeakPolarHBondContact O-CB 3.3Å; A86-T90 PolarHBondContact O-N 3.44Å; A86-T90 VanDerWaalsContact O-N 3.1Å; A86-T90 PolarHBondContact O-OG1 3.27Å; R87-T90 WeakPolarHBondContact O-CB 3.46Å; R87-T90 PolarHBondContact O-N 3.47Å; Q88-T90 VanDerWaalsContact C-N 3.31Å; Q88-T90 PolarHBondContact O-N 3.47Å; T90-N92 PolarHBondContact O-N 3.49Å; T90-N93 PolarHBondContact O-N 3.02Å; T90-I94 HydrophobicContact CG2-CD1 4.22Å; T90-I94 WeakPolarHBondContact O-CG1 3.45Å; T90-I94 PolarHBondContact O-N 3.34Å; T90-I94 VanDerWaalsContact O-N 3.14Å
91	L	94.5	Very high	90.7	Very high	84 Å²	84	75 Å²	75	44%	0.44	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.5	-73.4	175.8	0	0	0	112.6	R87 Q88 N93 I94 Y95	R87-L91 WeakPolarHBondContact O-CG 3.4Å; R87-L91 PolarHBondContact O-N 2.91Å; Q88-L91 PolarHBondContact O-N 3.01Å; L91-N93 PolarHBondContact O-N 3.48Å; L91-I94 PolarHBondContact O-N 3.07Å; L91-I94 VanDerWaalsContact O-N 3.15Å; L91-Y95 PolarHBondContact O-N 3.28Å
92	N	92.6	Very high	89.8	Confident	18 Å²	18	79.1 Å²	79.1	10%	0.096	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-32.2	177	176	-105	0	0	0	112.2	F42 T43 Q88 A89 T90 Y95 P96	F42-N92 HydrophobicContact CD1-CB 3.82Å; F42-N92 HydrophobicContact CE1-CB 4.14Å; T43-N92 PolarHBondContact N-OD1 3.47Å; T43-N92 PolarHBondContact OG1-OD1 2.95Å; Q88-N92 WeakPolarHBondContact O-CB 3.37Å; Q88-N92 PolarHBondContact O-N 3.33Å; A89-N92 PolarHBondContact O-N 2.9Å; T90-N92 PolarHBondContact O-N 3.49Å; N92-Y95 CarbonylContact O-C 3.19Å; N92-P96 VanDerWaalsContact O-CA 3.22Å; N92-P96 WeakPolarHBondContact O-CA 3.31Å; N92-P96 VanDerWaalsContact O-N 3.17Å
93	N	91.2	Very high	88.3	Confident	73 Å²	73	82.5 Å²	82.5	39%	0.39	44%	0.438	S	S	.	.	H	α-helix	trans	-74.5	-30.1	175.2	-77.5	-59.3	0	0	0	113.2	R41 T43 A89 T90 L91	R41-N93 PolarHBondContact O-ND2 3.45Å; R41-N93 PolarHBondContact O-OD1 3.5Å; T43-N93 VanDerWaalsContact CG2-OD1 3.27Å; T43-N93 WeakPolarHBondContact CG2-OD1 3.32Å; A89-N93 PolarHBondContact O-N 3.31Å; A89-N93 PolarHBondContact O-ND2 2.92Å; T90-N93 PolarHBondContact O-N 3.02Å; L91-N93 PolarHBondContact O-N 3.48Å
94	I	94.1	Very high	87.8	Confident	104 Å²	104	80.6 Å²	80.6	53%	0.533	43%	0.432	S	S	.	.	H	α-helix	trans	-75.8	-35.7	175.3	-63.5	165.7	0	0	0	110.7	T90 L91 P96	T90-I94 HydrophobicContact CG2-CD1 4.22Å; T90-I94 WeakPolarHBondContact O-CG1 3.45Å; T90-I94 PolarHBondContact O-N 3.34Å; T90-I94 VanDerWaalsContact O-N 3.14Å; L91-I94 PolarHBondContact O-N 3.07Å; L91-I94 VanDerWaalsContact O-N 3.15Å; I94-P96 VanDerWaalsContact C-CD 3.49Å; I94-P96 WeakPolarHBondContact O-CD 3.43Å
95	Y	90.9	Very high	87.3	Confident	177 Å²	177	81.7 Å²	81.7	69%	0.694	44%	0.435	S	S	*	.	S	Bend	trans	-122.7	72.7	179.1	-58.1	-75.7	0	0	0	110.1	L91 N92 S97	L91-Y95 PolarHBondContact O-N 3.28Å; N92-Y95 CarbonylContact O-C 3.19Å; Y95-S97 PolarHBondContact O-N 3.11Å
96	P	82.1	Confident	86.8	Confident	85 Å²	85	86.2 Å²	86.2	55%	0.552	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-64.9	133.6	-177	26.4	-33.2	0	0	0	110.3	N92 I94	N92-P96 VanDerWaalsContact O-CA 3.22Å; N92-P96 WeakPolarHBondContact O-CA 3.31Å; N92-P96 VanDerWaalsContact O-N 3.17Å; I94-P96 VanDerWaalsContact C-CD 3.49Å; I94-P96 WeakPolarHBondContact O-CD 3.43Å
97	S	80.1	Confident	86.2	Confident	46 Å²	46	89.6 Å²	89.6	32%	0.322	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-69.4	150.5	163.8	49.3	0	0	0	0	109.1	D44 Y95	D44-S97 VanDerWaalsContact CB-OG 3.25Å; D44-S97 WeakPolarHBondContact CB-OG 3.41Å; D44-S97 WeakPolarHBondContact OD2-CB 3.38Å; D44-S97 PolarHBondContact OD2-OG 2.97Å; Y95-S97 PolarHBondContact O-N 3.11Å
98	G	75.7	Confident	85.4	Confident	68 Å²	68	87.2 Å²	87.2	70%	0.701	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-57.8	144.4	172.3	0	0	0	0	0	110.5	S100	G98-S100 PolarHBondContact O-N 3.4Å
99	K	77	Confident	84.7	Confident	176 Å²	176	86.9 Å²	86.9	77%	0.765	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-54.8	136.6	177.7	-71.8	-170.3	174.6	-171.7	0	110.7
100	S	77.7	Confident	84	Confident	29 Å²	29	93.1 Å²	93.1	20%	0.203	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-66.2	153.8	172.6	-178.8	0	0	0	0	109.8	G98 I102 E103	G98-S100 PolarHBondContact O-N 3.4Å; S100-I102 PolarHBondContact O-N 2.86Å; S100-I102 WeakPolarHBondContact OG-CG1 3.48Å; S100-E103 PolarHBondContact O-N 3.36Å
101	V	79.4	Confident	83	Confident	152 Å²	152	95.5 Å²	95.5	92%	0.921	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.3	175.6	-173.6	0	0	0	0	112.3
102	I	77.9	Confident	82.1	Confident	120 Å²	120	96.4 Å²	96.4	62%	0.615	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-4.8	-173.8	-29.8	162.9	0	0	0	111.9	S100	S100-I102 PolarHBondContact O-N 2.86Å; S100-I102 WeakPolarHBondContact OG-CG1 3.48Å
103	E	66.2	Low	81.1	Confident	109 Å²	109	103.5 Å²	103.5	51%	0.509	56%	0.564	S	S	.	*			trans	-102.2	0	176.8	-71.6	-173.2	141.3	0	0	112.8	Y45 R48 S100	Y45-E103 WeakPolarHBondContact CB-OE1 3.46Å; Y45-E103 HydrophobicContact CD2-CG 4.28Å; Y45-E103 HydrophobicContact CG-CG 4.23Å; Y45-E103 PolarHBondContact N-OE1 3.35Å; R48-E103 IonicContact CZ-OE1 2.69Å; R48-E103 IonicContact NH1-OE1 3.18Å; R48-E103 IonicContact NH2-OE1 2.76Å; R48-E103 PolarHBondContact NH2-OE1 3.42Å; S100-E103 PolarHBondContact O-N 3.36Å

Retrieved 103 of 103 residues in 53.1 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).