A0A146MHS2_SCHMA Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Required for proper complex I assembly. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A146MHS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A146MHS2_SCHMA|A0A146MHS2
MSGVKAARPILSRNHAEARRRVISLYRAWYRQLPFIPKEYSHSSVDLTVPVLHARLREEFRKNKDIKDLRIIDLLIHRWQNELLEVAHLWKSDTHVMDFFREDYRPEKPKDFLDKFLSGKQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	66.8	Low	238 Å²	238	128.6 Å²	128.6	100%	1.172	73%	0.729	S	S	*	*				0	94.8	0	-70.7	-73	-96.5	0	0	108	G3	M1-G3 PolarHBondContact O-N 3.27Å
2	S	48.9	Very low	68.7	Low	121 Å²	121	117.9 Å²	117.9	85%	0.846	67%	0.668	S	S	*	*			trans	-60.5	103.1	175.4	170.5	0	0	0	0	108.1	V4	S2-V4 PolarHBondContact O-N 2.89Å
3	G	54.1	Low	70.4	Confident	64 Å²	64	124.5 Å²	124.5	66%	0.66	68%	0.676	S	S	*	*			trans	-64.9	105.8	177	0	0	0	0	0	108.1	M1 K5	M1-G3 PolarHBondContact O-N 3.27Å; G3-K5 VanDerWaalsContact C-N 3.32Å; G3-K5 PolarHBondContact O-N 2.87Å
4	V	60.2	Low	72	Confident	134 Å²	134	120.4 Å²	120.4	81%	0.812	65%	0.653	S	S	*	*			trans	-56.5	103.3	167.6	179.4	0	0	0	0	105.8	S2 A6	S2-V4 PolarHBondContact O-N 2.89Å; V4-A6 PolarHBondContact O-N 2.96Å
5	K	61.5	Low	73.4	Confident	197 Å²	197	119.6 Å²	119.6	86%	0.857	64%	0.643	S	S	*	*			trans	-58	105.3	176.8	-78.6	-175.9	177.5	178.1	0	106.5	G3 A7	G3-K5 VanDerWaalsContact C-N 3.32Å; G3-K5 PolarHBondContact O-N 2.87Å; K5-A7 PolarHBondContact O-N 3.31Å
6	A	67.5	Low	74.9	Confident	95 Å²	95	115.8 Å²	115.8	79%	0.785	63%	0.633	S	S	*	*			trans	-60	101.5	176	0	0	0	0	0	107.8	V4 R8	V4-A6 PolarHBondContact O-N 2.96Å; A6-R8 PolarHBondContact O-N 3.05Å
7	A	72.3	Confident	76.1	Confident	59 Å²	59	111.9 Å²	111.9	49%	0.488	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-66	130.3	178.9	0	0	0	0	0	108.4	K5	K5-A7 PolarHBondContact O-N 3.31Å
8	R	78.6	Confident	77.1	Confident	230 Å²	230	105.8 Å²	105.8	87%	0.868	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-61.2	129.5	179.9	-69.7	-176.4	179	-175.1	-0.1	109.3	A6	A6-R8 PolarHBondContact O-N 3.05Å
9	P	79	Confident	78.1	Confident	73 Å²	73	109.2 Å²	109.2	47%	0.474	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-64	143	171.6	26.2	-31.5	0	0	0	109.4	S12	P9-S12 VanDerWaalsContact CB-O 3.28Å; P9-S12 WeakPolarHBondContact CB-O 3.48Å
10	I	83.3	Confident	79.1	Confident	105 Å²	105	111.7 Å²	111.7	54%	0.538	58%	0.581	S	S	.	*	S	Bend	trans	-71.8	-54.1	180	-58.8	174.2	0	0	0	109	R70 D73	I10-R70 HydrophobicContact CD1-CB 4.12Å; I10-R70 HydrophobicContact CG1-CB 4.42Å; I10-R70 HydrophobicContact CG1-CG 4.49Å; I10-D73 HydrophobicContact CB-CB 4.29Å
11	L	88.6	Confident	79.9	Confident	99 Å²	99	110.3 Å²	110.3	52%	0.518	57%	0.568	S	S	.	*	S	Bend	trans	-136	-46.5	-173.9	-137.5	85.2	0	0	0	111.7	R21 D73	L11-R21 VanDerWaalsContact CB-NH1 3.27Å; L11-R21 PolarHBondContact O-NH1 3.46Å; L11-R21 PolarHBondContact O-NH2 3.16Å; L11-D73 WeakPolarHBondContact CA-OD2 3.33Å; L11-D73 HydrophobicContact CB-CB 4.35Å; L11-D73 WeakPolarHBondContact CB-OD2 3.48Å; L11-D73 PolarHBondContact N-OD2 2.97Å
12	S	90	Very high	82.6	Confident	0 Å²	0	101.1 Å²	101.1	0%	0	53%	0.526	C	S	.	.			trans	-96.6	126.4	-172.4	-60.7	0	0	0	0	110.5	P9 A18 R21 D73	P9-S12 VanDerWaalsContact CB-O 3.28Å; P9-S12 WeakPolarHBondContact CB-O 3.48Å; S12-A18 WeakPolarHBondContact OG-CA 3.49Å; S12-R21 VanDerWaalsContact CA-NH1 3.33Å; S12-R21 VanDerWaalsContact N-NH1 3.12Å; S12-R21 PolarHBondContact OG-NH1 3.09Å; S12-D73 VanDerWaalsContact CB-OD1 3.27Å; S12-D73 WeakPolarHBondContact CB-OD1 3.42Å; S12-D73 PolarHBondContact N-OD2 2.86Å; S12-D73 PolarHBondContact OG-OD1 3.5Å
13	R	90.8	Very high	84.9	Confident	203 Å²	203	98.5 Å²	98.5	77%	0.766	50%	0.501	S	S	*	.	S	Bend	trans	-81.9	-26.6	179.5	-62.7	177.6	178.3	177.1	-0	112.5	E17	R13-E17 WeakPolarHBondContact CB-OE2 3.45Å; R13-E17 PolarHBondContact N-OE2 2.86Å
14	N	92.7	Very high	87	Confident	67 Å²	67	99.1 Å²	99.1	36%	0.358	50%	0.495	S	S	.	.	S	Bend	trans	-148.8	169.4	-179.3	61.3	51.9	0	0	0	111.2	A16 E17 A18 L69	N14-A16 VanDerWaalsContact C-N 3.27Å; N14-A16 PolarHBondContact O-N 3.4Å; N14-A16 WeakPolarHBondContact OD1-CA 3.23Å; N14-A16 WeakPolarHBondContact OD1-CB 3.5Å; N14-A16 PolarHBondContact OD1-N 3.06Å; N14-E17 PolarHBondContact O-N 3.33Å; N14-E17 PolarHBondContact OD1-N 3.36Å; N14-A18 PolarHBondContact O-N 2.57Å; N14-L69 VanDerWaalsContact C-CD2 3.44Å; N14-L69 WeakPolarHBondContact O-CD2 3.47Å
15	H	93.7	Very high	88.8	Confident	109 Å²	109	93.1 Å²	93.1	51%	0.505	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-28	-179.8	-75.5	-76.9	0	0	0	114.1	A18 R19 K67	H15-A18 PolarHBondContact O-N 3.18Å; H15-R19 VanDerWaalsContact O-CB 3.23Å; H15-R19 WeakPolarHBondContact O-CB 3.38Å; H15-R19 PolarHBondContact O-N 3.18Å; H15-K67 PolarHBondContact CE1-O 3.2Å
16	A	96	Very high	90.5	Very high	58 Å²	58	86.6 Å²	86.6	48%	0.479	43%	0.429	S	S	.	.	H	α-helix	trans	-70.4	-36.3	179.4	0	0	0	0	0	112.1	N14 R20	N14-A16 VanDerWaalsContact C-N 3.27Å; N14-A16 PolarHBondContact O-N 3.4Å; N14-A16 WeakPolarHBondContact OD1-CA 3.23Å; N14-A16 WeakPolarHBondContact OD1-CB 3.5Å; N14-A16 PolarHBondContact OD1-N 3.06Å; A16-R20 WeakPolarHBondContact O-CG 3.27Å; A16-R20 PolarHBondContact O-N 2.84Å; A16-R20 PolarHBondContact O-NE 3Å
17	E	95.3	Very high	91.9	Very high	50 Å²	50	89.8 Å²	89.8	23%	0.234	42%	0.421	C	S	.	.	H	α-helix	trans	-67.9	-47.8	171.6	-73.4	177.8	-179.7	0	0	111.4	R13 N14 R19 R20 R21	R13-E17 WeakPolarHBondContact CB-OE2 3.45Å; R13-E17 PolarHBondContact N-OE2 2.86Å; N14-E17 PolarHBondContact O-N 3.33Å; N14-E17 PolarHBondContact OD1-N 3.36Å; E17-R19 VanDerWaalsContact C-N 3.33Å; E17-R19 PolarHBondContact O-N 3.42Å; E17-R20 WeakPolarHBondContact O-CB 3.28Å; E17-R20 PolarHBondContact O-N 3.02Å; E17-R21 PolarHBondContact O-N 2.85Å
18	A	95.6	Very high	93.2	Very high	2 Å²	2	88 Å²	88	2%	0.017	41%	0.407	C	S	.	.	H	α-helix	trans	-57.8	-47.2	177.3	0	0	0	0	0	111	S12 N14 H15 R20 R21 V22 L69 I72	S12-A18 WeakPolarHBondContact OG-CA 3.49Å; N14-A18 PolarHBondContact O-N 2.57Å; H15-A18 PolarHBondContact O-N 3.18Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.41Å; A18-R21 WeakPolarHBondContact O-CB 3.33Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-R21 VanDerWaalsContact O-N 3.09Å; A18-V22 WeakPolarHBondContact O-CG2 3.46Å; A18-V22 PolarHBondContact O-N 3.34Å; A18-L69 HydrophobicContact CB-CD2 3.76Å; A18-I72 HydrophobicContact CB-CG2 4.06Å
19	R	96	Very high	94.1	Very high	170 Å²	170	77.6 Å²	77.6	64%	0.642	37%	0.367	S	S	*	.	H	α-helix	trans	-58.4	-42.5	177	-175.8	177.4	-179	-81.3	-0.5	112.4	H15 E17 R21 V22 I23	H15-R19 VanDerWaalsContact O-CB 3.23Å; H15-R19 WeakPolarHBondContact O-CB 3.38Å; H15-R19 PolarHBondContact O-N 3.18Å; E17-R19 VanDerWaalsContact C-N 3.33Å; E17-R19 PolarHBondContact O-N 3.42Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 2.77Å; R19-V22 PolarHBondContact O-N 2.86Å; R19-I23 HydrophobicContact CG-CD1 3.93Å; R19-I23 VanDerWaalsContact NH1-CD1 3.32Å; R19-I23 VanDerWaalsContact O-CG1 3.31Å; R19-I23 WeakPolarHBondContact O-CG1 3.46Å; R19-I23 PolarHBondContact O-N 2.85Å
20	R	96.8	Very high	94.9	Very high	159 Å²	159	79.2 Å²	79.2	60%	0.6	37%	0.365	S	S	*	.	H	α-helix	trans	-60.1	-42.3	175.8	-83	-178.4	-84.1	160.5	-8	111.5	A16 E17 A18 I23 S24	A16-R20 WeakPolarHBondContact O-CG 3.27Å; A16-R20 PolarHBondContact O-N 2.84Å; A16-R20 PolarHBondContact O-NE 3Å; E17-R20 WeakPolarHBondContact O-CB 3.28Å; E17-R20 PolarHBondContact O-N 3.02Å; A18-R20 VanDerWaalsContact C-N 3.34Å; A18-R20 PolarHBondContact O-N 3.41Å; R20-I23 PolarHBondContact O-N 2.91Å; R20-S24 WeakPolarHBondContact O-CB 3.46Å; R20-S24 PolarHBondContact O-N 3.22Å
21	R	96.4	Very high	95.5	Very high	83 Å²	83	81.3 Å²	81.3	31%	0.313	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-44.2	177.5	-69.4	177.9	171.7	151.9	-4.5	112.6	L11 S12 E17 A18 R19 I23 S24 L25 I76	L11-R21 VanDerWaalsContact CB-NH1 3.27Å; L11-R21 PolarHBondContact O-NH1 3.46Å; L11-R21 PolarHBondContact O-NH2 3.16Å; S12-R21 VanDerWaalsContact CA-NH1 3.33Å; S12-R21 VanDerWaalsContact N-NH1 3.12Å; S12-R21 PolarHBondContact OG-NH1 3.09Å; E17-R21 PolarHBondContact O-N 2.85Å; A18-R21 WeakPolarHBondContact O-CB 3.33Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-R21 VanDerWaalsContact O-N 3.09Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 2.77Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 2.95Å; R21-S24 WeakPolarHBondContact O-CB 3.49Å; R21-S24 PolarHBondContact O-N 2.98Å; R21-L25 WeakPolarHBondContact O-CB 3.31Å; R21-L25 PolarHBondContact O-N 3.48Å; R21-I76 HydrophobicContact CB-CD1 3.84Å
22	V	97	Very high	95.8	Very high	46 Å²	46	78 Å²	78	28%	0.279	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-46.3	174.8	175.2	0	0	0	0	110.9	A18 R19 S24 L25 Y26 F60 I72 I76	A18-V22 WeakPolarHBondContact O-CG2 3.46Å; A18-V22 PolarHBondContact O-N 3.34Å; R19-V22 PolarHBondContact O-N 2.86Å; V22-S24 PolarHBondContact O-N 2.99Å; V22-L25 PolarHBondContact O-N 2.89Å; V22-Y26 WeakPolarHBondContact O-CB 3.45Å; V22-Y26 PolarHBondContact O-N 3.09Å; V22-F60 HydrophobicContact CG1-CD1 4Å; V22-F60 HydrophobicContact CG1-CE1 3.85Å; V22-I72 HydrophobicContact CG2-CG2 3.93Å; V22-I76 HydrophobicContact CG2-CD1 3.72Å; V22-I76 HydrophobicContact CG2-CG1 3.93Å
23	I	97.3	Very high	96	Very high	66 Å²	66	78.4 Å²	78.4	34%	0.338	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-40.9	178.9	-68.7	168.7	0	0	0	111.2	R19 R20 R21 L25 Y26 R27	R19-I23 HydrophobicContact CG-CD1 3.93Å; R19-I23 VanDerWaalsContact NH1-CD1 3.32Å; R19-I23 VanDerWaalsContact O-CG1 3.31Å; R19-I23 WeakPolarHBondContact O-CG1 3.46Å; R19-I23 PolarHBondContact O-N 2.85Å; R20-I23 PolarHBondContact O-N 2.91Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 2.95Å; I23-L25 VanDerWaalsContact C-N 3.34Å; I23-Y26 PolarHBondContact O-N 3.26Å; I23-R27 WeakPolarHBondContact O-CG 3.45Å; I23-R27 PolarHBondContact O-N 3.49Å
24	S	97.6	Very high	96.2	Very high	76 Å²	76	71.7 Å²	71.7	53%	0.531	33%	0.333	S	S	.	.	H	α-helix	trans	-59.3	-47.2	175.8	-171.3	0	0	0	0	111.3	R20 R21 V22 R27 A28	R20-S24 WeakPolarHBondContact O-CB 3.46Å; R20-S24 PolarHBondContact O-N 3.22Å; R21-S24 WeakPolarHBondContact O-CB 3.49Å; R21-S24 PolarHBondContact O-N 2.98Å; V22-S24 PolarHBondContact O-N 2.99Å; S24-R27 PolarHBondContact O-N 3.36Å; S24-A28 PolarHBondContact O-N 3.42Å
25	L	97.9	Very high	96.2	Very high	9 Å²	9	73.7 Å²	73.7	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-45	176.5	177.4	60.2	0	0	0	111.9	R21 V22 I23 R27 A28 W29 F60 I76 W79 Q80	R21-L25 WeakPolarHBondContact O-CB 3.31Å; R21-L25 PolarHBondContact O-N 3.48Å; V22-L25 PolarHBondContact O-N 2.89Å; I23-L25 VanDerWaalsContact C-N 3.34Å; L25-R27 VanDerWaalsContact C-N 3.3Å; L25-R27 PolarHBondContact O-N 3.28Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3Å; L25-A28 VanDerWaalsContact O-N 3.12Å; L25-W29 PolarHBondContact O-N 3.36Å; L25-F60 HydrophobicContact CD2-CZ 4.42Å; L25-F60 HydrophobicContact CG-CZ 4.24Å; L25-I76 HydrophobicContact CD2-CB 4.36Å; L25-I76 HydrophobicContact CD2-CG1 4.47Å; L25-I76 HydrophobicContact CD2-CG2 4.1Å; L25-W79 HydrophobicContact CD2-CB 3.55Å; L25-W79 HydrophobicContact CG-CB 4.46Å; L25-Q80 HydrophobicContact CD1-CG 3.75Å
26	Y	98	Very high	96.1	Very high	59 Å²	59	68.7 Å²	68.7	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-57.8	-43.4	176	-178.9	-93	0	0	0	111.7	V22 I23 A28 W29 Y30 L56 R57 F60	V22-Y26 WeakPolarHBondContact O-CB 3.45Å; V22-Y26 PolarHBondContact O-N 3.09Å; I23-Y26 PolarHBondContact O-N 3.26Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; Y26-W29 PolarHBondContact O-N 3.41Å; Y26-Y30 HydrophobicContact CE1-CD2 4.26Å; Y26-Y30 WeakPolarHBondContact O-CB 3.5Å; Y26-Y30 PolarHBondContact O-N 3.28Å; Y26-L56 HydrophobicContact CD2-CD2 4.08Å; Y26-L56 HydrophobicContact CD2-CG 4.18Å; Y26-L56 HydrophobicContact CE2-CD2 3.76Å; Y26-L56 HydrophobicContact CE2-CG 3.84Å; Y26-R57 HydrophobicContact CE2-CG 4.31Å; Y26-R57 WeakPolarHBondContact OH-CG 3.47Å; Y26-F60 AromaticContact CD2-CD1 3.95Å; Y26-F60 HydrophobicContact CD2-CD1 3.95Å; Y26-F60 AromaticContact CD2-CD2 3.9Å; Y26-F60 HydrophobicContact CD2-CD2 3.9Å; Y26-F60 HydrophobicContact CD2-CE1 4.05Å; Y26-F60 HydrophobicContact CD2-CE2 4Å; Y26-F60 AromaticContact CD2-CG 3.86Å; Y26-F60 HydrophobicContact CD2-CG 3.86Å; Y26-F60 HydrophobicContact CD2-CZ 4.07Å; Y26-F60 HydrophobicContact CE2-CD2 4.47Å; Y26-F60 HydrophobicContact CE2-CG 4.49Å; Y26-F60 HydrophobicContact CG-CE1 4.41Å
27	R	98	Very high	95.8	Very high	162 Å²	162	67.5 Å²	67.5	61%	0.611	30%	0.302	S	S	*	.	H	α-helix	trans	-67.5	-34.4	176.9	-68.3	174.3	80	-179.5	6.1	112.2	I23 S24 L25 Y30 R31	I23-R27 WeakPolarHBondContact O-CG 3.45Å; I23-R27 PolarHBondContact O-N 3.49Å; S24-R27 PolarHBondContact O-N 3.36Å; L25-R27 VanDerWaalsContact C-N 3.3Å; L25-R27 PolarHBondContact O-N 3.28Å; R27-Y30 PolarHBondContact O-N 2.89Å; R27-R31 PolarHBondContact O-N 3.22Å; R27-R31 PolarHBondContact O-NH1 3.43Å; R27-R31 VanDerWaalsContact O-NH1 3.16Å
28	A	98	Very high	95.5	Very high	23 Å²	23	73.5 Å²	73.5	19%	0.19	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-49.1	175.8	0	0	0	0	0	110.9	S24 L25 Y26 Y30 R31 Q32 L83	S24-A28 PolarHBondContact O-N 3.42Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3Å; L25-A28 VanDerWaalsContact O-N 3.12Å; Y26-A28 VanDerWaalsContact C-N 3.34Å; A28-Y30 VanDerWaalsContact C-N 3.34Å; A28-Y30 PolarHBondContact O-N 2.91Å; A28-R31 PolarHBondContact O-N 3.11Å; A28-Q32 PolarHBondContact O-N 3.24Å; A28-L83 HydrophobicContact CB-CD2 3.7Å
29	W	97.4	Very high	95.2	Very high	10 Å²	10	76.6 Å²	76.6	4%	0.038	34%	0.342	C	S	.	.	H	α-helix	trans	-56.5	-47.5	172	-88.6	100.4	0	0	0	112.1	L25 Y26 R31 Q32 L33 L56 W79 E82 L83 V86	L25-W29 PolarHBondContact O-N 3.36Å; Y26-W29 PolarHBondContact O-N 3.41Å; W29-R31 PolarHBondContact O-N 3.21Å; W29-R31 VanDerWaalsContact O-N 3.11Å; W29-Q32 PolarHBondContact O-N 3.47Å; W29-L33 HydrophobicContact CE3-CD2 4.14Å; W29-L33 WeakPolarHBondContact O-CG 3.44Å; W29-L33 PolarHBondContact O-N 3.12Å; W29-L56 HydrophobicContact CB-CD1 3.64Å; W29-L56 HydrophobicContact CB-CD2 3.86Å; W29-L56 HydrophobicContact CB-CG 4.42Å; W29-L56 HydrophobicContact CD2-CD1 4.29Å; W29-L56 HydrophobicContact CG-CD1 3.89Å; W29-W79 AromaticContact CE2-CE3 3.84Å; W29-W79 AromaticContact CZ2-CE3 3.94Å; W29-W79 HydrophobicContact CZ2-CE3 3.94Å; W29-W79 HydrophobicContact CZ2-CZ3 4.24Å; W29-W79 AromaticContact NE1-CE3 3.71Å; W29-W79 PolarHBondContact NE1-O 3.2Å; W29-W79 VanDerWaalsContact NE1-O 3.15Å; W29-E82 HydrophobicContact CH2-CG 4.03Å; W29-E82 HydrophobicContact CZ2-CB 4.07Å; W29-E82 HydrophobicContact CZ2-CG 3.81Å; W29-L83 HydrophobicContact CD2-CB 4.45Å; W29-L83 HydrophobicContact CD2-CD1 3.75Å; W29-L83 HydrophobicContact CE3-CD1 3.91Å; W29-L83 HydrophobicContact CG-CD1 4.18Å; W29-L83 HydrophobicContact CH2-CB 4.46Å; W29-L83 HydrophobicContact CH2-CD1 4.34Å; W29-L83 VanDerWaalsContact CZ2-CA 3.49Å; W29-L83 HydrophobicContact CZ2-CB 3.73Å; W29-L83 HydrophobicContact CZ2-CD1 4.19Å; W29-L83 HydrophobicContact CZ3-CD1 4.2Å; W29-V86 HydrophobicContact CH2-CB 4.42Å; W29-V86 HydrophobicContact CH2-CG2 4.09Å
30	Y	96.6	Very high	94.8	Very high	108 Å²	108	68.6 Å²	68.6	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-55.5	-34	-179.8	-161.9	-82.7	0	0	0	113.1	Y26 R27 A28 H53	Y26-Y30 HydrophobicContact CE1-CD2 4.26Å; Y26-Y30 WeakPolarHBondContact O-CB 3.5Å; Y26-Y30 PolarHBondContact O-N 3.28Å; R27-Y30 PolarHBondContact O-N 2.89Å; A28-Y30 VanDerWaalsContact C-N 3.34Å; A28-Y30 PolarHBondContact O-N 2.91Å; Y30-H53 AromaticContact CD1-CE1 3.76Å; Y30-H53 AromaticContact CD2-CE1 3.61Å; Y30-H53 AromaticContact CD2-ND1 3.39Å; Y30-H53 WeakPolarHBondContact CD2-ND1 3.32Å; Y30-H53 AromaticContact CE1-CE1 3.55Å; Y30-H53 AromaticContact CE1-NE2 3.94Å; Y30-H53 AromaticContact CE2-CE1 3.41Å; Y30-H53 VanDerWaalsContact CE2-CE1 3.41Å; Y30-H53 WeakPolarHBondContact CE2-CE1 3.29Å; Y30-H53 AromaticContact CE2-CG 3.82Å; Y30-H53 AromaticContact CE2-ND1 3.21Å; Y30-H53 WeakPolarHBondContact CE2-ND1 3.21Å; Y30-H53 AromaticContact CG-CE1 3.77Å; Y30-H53 AromaticContact CG-ND1 3.99Å; Y30-H53 AromaticContact CZ-CE1 3.37Å; Y30-H53 AromaticContact CZ-ND1 3.66Å; Y30-H53 AromaticContact CZ-NE2 3.67Å
31	R	96.8	Very high	93.8	Very high	148 Å²	148	64.1 Å²	64.1	56%	0.558	31%	0.305	S	S	*	.	H	α-helix	trans	-76.8	-30	175.5	-70.6	-173.8	-62	-86.1	3.2	113.4	R27 A28 W29 P34 F35	R27-R31 PolarHBondContact O-N 3.22Å; R27-R31 PolarHBondContact O-NH1 3.43Å; R27-R31 VanDerWaalsContact O-NH1 3.16Å; A28-R31 PolarHBondContact O-N 3.11Å; W29-R31 PolarHBondContact O-N 3.21Å; W29-R31 VanDerWaalsContact O-N 3.11Å; R31-P34 WeakPolarHBondContact O-CD 3.26Å; R31-F35 WeakPolarHBondContact O-CD2 3.49Å; R31-F35 VanDerWaalsContact O-CE2 3.32Å; R31-F35 WeakPolarHBondContact O-CE2 3.29Å
32	Q	95.1	Very high	92.6	Very high	31 Å²	31	68.3 Å²	68.3	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-77.6	-35	-179.8	-171.4	60.9	22.8	0	0	112.5	A28 W29 P34 F35 E39 L83 A87	A28-Q32 PolarHBondContact O-N 3.24Å; W29-Q32 PolarHBondContact O-N 3.47Å; Q32-P34 VanDerWaalsContact C-CD 3.42Å; Q32-F35 WeakPolarHBondContact O-CB 3.41Å; Q32-F35 PolarHBondContact O-N 3.47Å; Q32-E39 PolarHBondContact NE2-OE2 2.97Å; Q32-L83 HydrophobicContact CB-CD1 3.69Å; Q32-L83 HydrophobicContact CG-CD1 3.88Å; Q32-A87 HydrophobicContact CG-CB 4.43Å
33	L	93.8	Very high	91.2	Very high	8 Å²	8	68.5 Å²	68.5	4%	0.042	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-52.1	-40.1	-173.1	-69.7	178.2	0	0	0	115.4	W29 F35 I36 P37 L52 H53 L56	W29-L33 HydrophobicContact CE3-CD2 4.14Å; W29-L33 WeakPolarHBondContact O-CG 3.44Å; W29-L33 PolarHBondContact O-N 3.12Å; L33-F35 PolarHBondContact O-N 3.37Å; L33-I36 HydrophobicContact CD2-CD1 3.62Å; L33-I36 WeakPolarHBondContact O-CB 3.48Å; L33-I36 PolarHBondContact O-N 2.88Å; L33-P37 WeakPolarHBondContact O-CD 3.37Å; L33-L52 HydrophobicContact CB-CB 4.3Å; L33-L52 HydrophobicContact CB-CD1 4.46Å; L33-L52 HydrophobicContact CD1-CB 4.2Å; L33-L52 HydrophobicContact CD2-CB 4.16Å; L33-L52 HydrophobicContact CG-CB 4.43Å; L33-L52 WeakPolarHBondContact O-CD1 3.49Å; L33-H53 VanDerWaalsContact CD1-ND1 3.32Å; L33-H53 WeakPolarHBondContact CD1-ND1 3.39Å; L33-L56 HydrophobicContact CD1-CB 3.92Å; L33-L56 HydrophobicContact CD1-CD2 3.73Å; L33-L56 HydrophobicContact CD1-CG 4.36Å
34	P	93.9	Very high	89.5	Confident	62 Å²	62	65.8 Å²	65.8	40%	0.403	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63.4	-21.5	178.5	-24	35.8	0	0	0	114.8	R31 Q32 V49	R31-P34 WeakPolarHBondContact O-CD 3.26Å; Q32-P34 VanDerWaalsContact C-CD 3.42Å; P34-V49 HydrophobicContact CB-CG2 4.48Å; P34-V49 HydrophobicContact CG-CG1 4.23Å
35	F	92.6	Very high	87.8	Confident	108 Å²	108	68.1 Å²	68.1	47%	0.474	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-80.6	-25.4	178.1	-60	-72.9	0	0	0	112.3	R31 Q32 L33 K38 E39	R31-F35 WeakPolarHBondContact O-CD2 3.49Å; R31-F35 VanDerWaalsContact O-CE2 3.32Å; R31-F35 WeakPolarHBondContact O-CE2 3.29Å; Q32-F35 WeakPolarHBondContact O-CB 3.41Å; Q32-F35 PolarHBondContact O-N 3.47Å; L33-F35 PolarHBondContact O-N 3.37Å; F35-K38 WeakPolarHBondContact O-CB 3.4Å; F35-K38 PolarHBondContact O-N 3.03Å; F35-K38 VanDerWaalsContact O-N 3.11Å; F35-E39 HydrophobicContact CB-CG 4.49Å; F35-E39 WeakPolarHBondContact O-CB 3.48Å; F35-E39 WeakPolarHBondContact O-CG 3.46Å; F35-E39 PolarHBondContact O-N 2.91Å
36	I	91.9	Very high	86.8	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.026	36%	0.355	C	S	.	.	H	α-helix	trans	-56.9	-49.9	-174	-64.2	179.6	0	0	0	112.8	L33 K38 E39 Y40 L52 V86 V96	L33-I36 HydrophobicContact CD2-CD1 3.62Å; L33-I36 WeakPolarHBondContact O-CB 3.48Å; L33-I36 PolarHBondContact O-N 2.88Å; I36-K38 PolarHBondContact O-N 3.38Å; I36-E39 PolarHBondContact O-N 2.76Å; I36-Y40 HydrophobicContact CB-CD2 4.34Å; I36-Y40 HydrophobicContact CG2-CD2 3.77Å; I36-Y40 HydrophobicContact CG2-CG 4.36Å; I36-Y40 WeakPolarHBondContact O-CB 3.28Å; I36-Y40 WeakPolarHBondContact O-CD2 3.47Å; I36-Y40 PolarHBondContact O-N 3.13Å; I36-L52 HydrophobicContact CB-CD1 4.08Å; I36-L52 HydrophobicContact CG2-CD1 4.33Å; I36-V86 HydrophobicContact CD1-CG1 3.98Å; I36-V86 HydrophobicContact CG1-CG1 4.06Å; I36-V96 HydrophobicContact CG2-CG1 4.02Å
37	P	90.2	Very high	86.1	Confident	32 Å²	32	70.8 Å²	70.8	21%	0.208	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-29.9	-178.7	-23.6	34.9	0	0	0	113.3	L33 S44 L47 V49 L52	L33-P37 WeakPolarHBondContact O-CD 3.37Å; P37-S44 PolarHBondContact O-OG 3.33Å; P37-S44 VanDerWaalsContact O-OG 3.11Å; P37-L47 WeakPolarHBondContact CG-O 3.45Å; P37-V49 HydrophobicContact CG-CG2 4.43Å; P37-L52 HydrophobicContact CG-CD1 3.87Å
38	K	88.4	Confident	85.8	Confident	176 Å²	176	66.8 Å²	66.8	77%	0.765	34%	0.34	S	S	*	.	H	α-helix	trans	-76.1	-43.1	177.3	-176.7	-176.7	176.1	-174.2	0	111.4	F35 I36	F35-K38 WeakPolarHBondContact O-CB 3.4Å; F35-K38 PolarHBondContact O-N 3.03Å; F35-K38 VanDerWaalsContact O-N 3.11Å; I36-K38 PolarHBondContact O-N 3.38Å
39	E	90.2	Very high	85.5	Confident	67 Å²	67	68 Å²	68	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-74.3	-33.7	-177	-74.4	173.3	173.9	0	0	112.4	Q32 F35 I36 L89	Q32-E39 PolarHBondContact NE2-OE2 2.97Å; F35-E39 HydrophobicContact CB-CG 4.49Å; F35-E39 WeakPolarHBondContact O-CB 3.48Å; F35-E39 WeakPolarHBondContact O-CG 3.46Å; F35-E39 PolarHBondContact O-N 2.91Å; I36-E39 PolarHBondContact O-N 2.76Å; E39-L89 HydrophobicContact CB-CD2 3.65Å; E39-L89 HydrophobicContact CG-CD2 4.27Å
40	Y	88.1	Confident	85.3	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.012	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	43.4	-175.6	-67.8	-87	0	0	0	112.1	I36 H42 S43 S44 V86 L89 K91 D93 V96	I36-Y40 HydrophobicContact CB-CD2 4.34Å; I36-Y40 HydrophobicContact CG2-CD2 3.77Å; I36-Y40 HydrophobicContact CG2-CG 4.36Å; I36-Y40 WeakPolarHBondContact O-CB 3.28Å; I36-Y40 WeakPolarHBondContact O-CD2 3.47Å; I36-Y40 PolarHBondContact O-N 3.13Å; Y40-H42 PolarHBondContact O-N 2.89Å; Y40-H42 VanDerWaalsContact O-N 3.09Å; Y40-S43 PolarHBondContact O-N 3.24Å; Y40-S44 WeakPolarHBondContact O-CB 3.25Å; Y40-S44 PolarHBondContact O-N 3.47Å; Y40-S44 PolarHBondContact O-OG 3.37Å; Y40-V86 HydrophobicContact CE2-CG1 3.99Å; Y40-V86 PolarHBondContact OH-O 3.29Å; Y40-L89 HydrophobicContact CD2-CD2 4.28Å; Y40-L89 HydrophobicContact CE1-CD2 4.28Å; Y40-L89 HydrophobicContact CE2-CD2 3.66Å; Y40-K91 VanDerWaalsContact CE1-O 3.23Å; Y40-K91 WeakPolarHBondContact CE1-O 3.46Å; Y40-K91 PolarHBondContact OH-O 3.33Å; Y40-D93 HydrophobicContact CD1-CB 4.42Å; Y40-D93 VanDerWaalsContact CD1-OD1 3.28Å; Y40-D93 WeakPolarHBondContact CD1-OD1 3.22Å; Y40-V96 HydrophobicContact CD1-CG2 3.89Å; Y40-V96 HydrophobicContact CD2-CG2 4.46Å; Y40-V96 HydrophobicContact CE1-CG2 3.59Å; Y40-V96 HydrophobicContact CE2-CG2 4.2Å; Y40-V96 HydrophobicContact CG-CG2 4.31Å
41	S	75.1	Confident	85.1	Confident	65 Å²	65	69.8 Å²	69.8	46%	0.455	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	-166.1	67	0	0	0	0	115.4	S44	S41-S44 WeakPolarHBondContact CA-OG 3.45Å
42	H	70.2	Confident	85	Confident	171 Å²	171	63 Å²	63	79%	0.792	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-33.4	-172.7	-73.4	78	0	0	0	112.7	Y40 D93	Y40-H42 PolarHBondContact O-N 2.89Å; Y40-H42 VanDerWaalsContact O-N 3.09Å; H42-D93 WeakPolarHBondContact CB-OD2 3.28Å; H42-D93 PolarHBondContact N-OD2 3.3Å
43	S	67.5	Low	85	Confident	49 Å²	49	62.4 Å²	62.4	34%	0.343	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-6.7	-180	-169	0	0	0	0	114.2	Y40 D93 M97	Y40-S43 PolarHBondContact O-N 3.24Å; S43-D93 PolarHBondContact N-OD2 2.97Å; S43-D93 VanDerWaalsContact N-OD2 3.1Å; S43-M97 WeakPolarHBondContact O-CE 3.43Å; S43-M97 WeakPolarHBondContact OG-CG 3.39Å
44	S	61.6	Low	85.1	Confident	10 Å²	10	64.1 Å²	64.1	7%	0.07	36%	0.357	C	S	.	.			trans	-92.4	14	-172.8	60.7	0	0	0	0	115.5	P37 Y40 S41 D46 L47	P37-S44 PolarHBondContact O-OG 3.33Å; P37-S44 VanDerWaalsContact O-OG 3.11Å; Y40-S44 WeakPolarHBondContact O-CB 3.25Å; Y40-S44 PolarHBondContact O-N 3.47Å; Y40-S44 PolarHBondContact O-OG 3.37Å; S41-S44 WeakPolarHBondContact CA-OG 3.45Å; S44-D46 PolarHBondContact O-N 2.97Å; S44-L47 PolarHBondContact O-N 3.38Å
45	V	63.8	Low	85.1	Confident	124 Å²	124	61.8 Å²	61.8	75%	0.752	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-32	-178.8	178.7	0	0	0	0	112.1
46	D	75.4	Confident	85.2	Confident	115 Å²	115	57 Å²	57	62%	0.615	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.8	179.3	-57.8	-28.3	0	0	0	114.4	S44 T48	S44-D46 PolarHBondContact O-N 2.97Å; D46-T48 PolarHBondContact O-N 3.31Å
47	L	84.1	Confident	85.5	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	34%	0.336	C	S	.	.			trans	-90.5	92.9	-175.4	-70.4	-176.7	0	0	0	111.7	P37 S44 V51 L52 M97 F100	P37-L47 WeakPolarHBondContact CG-O 3.45Å; S44-L47 PolarHBondContact O-N 3.38Å; L47-V51 HydrophobicContact CD2-CG1 4.31Å; L47-L52 HydrophobicContact CB-CD2 4.38Å; L47-L52 HydrophobicContact CD1-CD2 4.01Å; L47-L52 HydrophobicContact CD2-CD2 4.17Å; L47-L52 HydrophobicContact CG-CD2 4.44Å; L47-M97 HydrophobicContact CD1-CE 3.23Å; L47-M97 HydrophobicContact CD1-SD 3.75Å; L47-M97 HydrophobicContact CG-CE 4.06Å; L47-M97 HydrophobicContact CG-SD 4.24Å; L47-F100 HydrophobicContact CD1-CD2 4.34Å; L47-F100 HydrophobicContact CD1-CE2 3.92Å; L47-F100 HydrophobicContact CD2-CD1 4.01Å; L47-F100 HydrophobicContact CD2-CD2 3.8Å; L47-F100 HydrophobicContact CD2-CE1 3.69Å; L47-F100 HydrophobicContact CD2-CE2 3.48Å; L47-F100 VanDerWaalsContact CD2-CE2 3.48Å; L47-F100 HydrophobicContact CD2-CG 4.07Å; L47-F100 HydrophobicContact CD2-CZ 3.44Å; L47-F100 VanDerWaalsContact CD2-CZ 3.44Å; L47-F100 HydrophobicContact CG-CE2 4.39Å
48	T	90.5	Very high	85.7	Confident	78 Å²	78	63.5 Å²	63.5	48%	0.479	34%	0.344	S	S	.	.			trans	-80.6	150.9	167.8	66.6	0	0	0	0	111.4	D46 P50 V51 L52	D46-T48 PolarHBondContact O-N 3.31Å; T48-P50 VanDerWaalsContact C-CD 3.45Å; T48-P50 VanDerWaalsContact C-N 3.32Å; T48-V51 WeakPolarHBondContact O-CB 3.41Å; T48-V51 PolarHBondContact O-N 3.27Å; T48-V51 VanDerWaalsContact OG1-CG2 3.26Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.34Å; T48-L52 PolarHBondContact O-N 2.96Å
49	V	92.5	Very high	86.1	Confident	50 Å²	50	56.5 Å²	56.5	30%	0.303	31%	0.313	S	S	.	.	H	α-helix	trans	-53.5	-40.8	177.9	179.4	0	0	0	0	113	P34 P37 V51 L52 H53	P34-V49 HydrophobicContact CB-CG2 4.48Å; P34-V49 HydrophobicContact CG-CG1 4.23Å; P37-V49 HydrophobicContact CG-CG2 4.43Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 2.91Å; V49-L52 PolarHBondContact O-N 3.46Å; V49-H53 VanDerWaalsContact CG1-NE2 3.34Å; V49-H53 WeakPolarHBondContact CG1-NE2 3.42Å; V49-H53 PolarHBondContact O-CD2 3.5Å; V49-H53 PolarHBondContact O-N 3.31Å
50	P	93.8	Very high	86.3	Confident	91 Å²	91	55.4 Å²	55.4	59%	0.591	31%	0.308	S	S	*	.	H	α-helix	trans	-60.7	-38.9	174.1	-25.4	36.3	0	0	0	114.2	T48 H53 A54	T48-P50 VanDerWaalsContact C-CD 3.45Å; T48-P50 VanDerWaalsContact C-N 3.32Å; P50-H53 PolarHBondContact O-N 2.9Å; P50-A54 PolarHBondContact O-N 3.48Å
51	V	92.9	Very high	86.7	Confident	63 Å²	63	63 Å²	63	38%	0.382	34%	0.336	S	S	.	.	H	α-helix	trans	-65.1	-46.2	177.4	170.4	0	0	0	0	110.2	L47 T48 V49 H53 A54 R55 F100	L47-V51 HydrophobicContact CD2-CG1 4.31Å; T48-V51 WeakPolarHBondContact O-CB 3.41Å; T48-V51 PolarHBondContact O-N 3.27Å; T48-V51 VanDerWaalsContact OG1-CG2 3.26Å; T48-V51 WeakPolarHBondContact OG1-CG2 3.34Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 2.91Å; V51-H53 VanDerWaalsContact C-N 3.32Å; V51-H53 PolarHBondContact O-N 2.97Å; V51-A54 WeakPolarHBondContact O-CB 3.32Å; V51-A54 PolarHBondContact O-N 3.1Å; V51-A54 VanDerWaalsContact O-N 3.11Å; V51-R55 PolarHBondContact O-N 3.14Å; V51-F100 HydrophobicContact CG1-CE1 3.85Å
52	L	93.9	Very high	87.7	Confident	7 Å²	7	65 Å²	65	4%	0.037	34%	0.337	C	S	.	.	H	α-helix	trans	-56.5	-44.9	174.6	-70	178.2	0	0	0	112	L33 I36 P37 L47 T48 V49 A54 R55 L56 F100	L33-L52 HydrophobicContact CB-CB 4.3Å; L33-L52 HydrophobicContact CB-CD1 4.46Å; L33-L52 HydrophobicContact CD1-CB 4.2Å; L33-L52 HydrophobicContact CD2-CB 4.16Å; L33-L52 HydrophobicContact CG-CB 4.43Å; L33-L52 WeakPolarHBondContact O-CD1 3.49Å; I36-L52 HydrophobicContact CB-CD1 4.08Å; I36-L52 HydrophobicContact CG2-CD1 4.33Å; P37-L52 HydrophobicContact CG-CD1 3.87Å; L47-L52 HydrophobicContact CB-CD2 4.38Å; L47-L52 HydrophobicContact CD1-CD2 4.01Å; L47-L52 HydrophobicContact CD2-CD2 4.17Å; L47-L52 HydrophobicContact CG-CD2 4.44Å; T48-L52 PolarHBondContact O-N 2.96Å; V49-L52 PolarHBondContact O-N 3.46Å; L52-A54 VanDerWaalsContact C-N 3.35Å; L52-A54 PolarHBondContact O-N 3.48Å; L52-R55 PolarHBondContact O-N 3.1Å; L52-L56 PolarHBondContact O-N 3.29Å; L52-F100 HydrophobicContact CD2-CE2 4.09Å; L52-F100 HydrophobicContact CD2-CZ 3.74Å
53	H	95.4	Very high	88.9	Confident	17 Å²	17	59.6 Å²	59.6	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-36.6	176.8	-73.2	-50.3	0	0	0	113	Y30 L33 V49 P50 V51 R57	Y30-H53 AromaticContact CD1-CE1 3.76Å; Y30-H53 AromaticContact CD2-CE1 3.61Å; Y30-H53 AromaticContact CD2-ND1 3.39Å; Y30-H53 WeakPolarHBondContact CD2-ND1 3.32Å; Y30-H53 AromaticContact CE1-CE1 3.55Å; Y30-H53 AromaticContact CE1-NE2 3.94Å; Y30-H53 AromaticContact CE2-CE1 3.41Å; Y30-H53 VanDerWaalsContact CE2-CE1 3.41Å; Y30-H53 WeakPolarHBondContact CE2-CE1 3.29Å; Y30-H53 AromaticContact CE2-CG 3.82Å; Y30-H53 AromaticContact CE2-ND1 3.21Å; Y30-H53 WeakPolarHBondContact CE2-ND1 3.21Å; Y30-H53 AromaticContact CG-CE1 3.77Å; Y30-H53 AromaticContact CG-ND1 3.99Å; Y30-H53 AromaticContact CZ-CE1 3.37Å; Y30-H53 AromaticContact CZ-ND1 3.66Å; Y30-H53 AromaticContact CZ-NE2 3.67Å; L33-H53 VanDerWaalsContact CD1-ND1 3.32Å; L33-H53 WeakPolarHBondContact CD1-ND1 3.39Å; V49-H53 VanDerWaalsContact CG1-NE2 3.34Å; V49-H53 WeakPolarHBondContact CG1-NE2 3.42Å; V49-H53 PolarHBondContact O-CD2 3.5Å; V49-H53 PolarHBondContact O-N 3.31Å; P50-H53 PolarHBondContact O-N 2.9Å; V51-H53 VanDerWaalsContact C-N 3.32Å; V51-H53 PolarHBondContact O-N 2.97Å; H53-R57 WeakPolarHBondContact O-CG 3.33Å; H53-R57 PolarHBondContact O-N 3.48Å; H53-R57 PolarHBondContact O-NH1 3.4Å
54	A	94.9	Very high	90.2	Very high	44 Å²	44	64.5 Å²	64.5	36%	0.364	33%	0.329	S	S	.	.	H	α-helix	trans	-64.3	-45.2	175	0	0	0	0	0	110.9	P50 V51 L52 R57 E58	P50-A54 PolarHBondContact O-N 3.48Å; V51-A54 WeakPolarHBondContact O-CB 3.32Å; V51-A54 PolarHBondContact O-N 3.1Å; V51-A54 VanDerWaalsContact O-N 3.11Å; L52-A54 VanDerWaalsContact C-N 3.35Å; L52-A54 PolarHBondContact O-N 3.48Å; A54-R57 WeakPolarHBondContact O-CB 3.48Å; A54-R57 PolarHBondContact O-N 3.21Å; A54-E58 PolarHBondContact O-N 3.04Å
55	R	94.2	Very high	91.8	Very high	14 Å²	14	69.7 Å²	69.7	5%	0.053	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-42.5	178.2	-165.8	52	152.8	-148.5	-18.8	112.4	V51 L52 R57 E58 E59 F99 F100 D103	V51-R55 PolarHBondContact O-N 3.14Å; L52-R55 PolarHBondContact O-N 3.1Å; R55-R57 VanDerWaalsContact C-N 3.28Å; R55-R57 PolarHBondContact O-N 3.38Å; R55-E58 WeakPolarHBondContact CD-OE2 3.48Å; R55-E58 IonicContact CZ-OE2 2.76Å; R55-E58 IonicContact NE-OE2 2.97Å; R55-E58 IonicContact NH1-OE1 2.86Å; R55-E58 PolarHBondContact NH1-OE1 3Å; R55-E58 IonicContact NH1-OE2 3.32Å; R55-E58 PolarHBondContact NH1-OE2 3.25Å; R55-E58 WeakPolarHBondContact O-CB 3.47Å; R55-E58 PolarHBondContact O-N 3.48Å; R55-E59 IonicContact NE-OE1 3.5Å; R55-E59 WeakPolarHBondContact O-CG 3.5Å; R55-E59 PolarHBondContact O-N 3.03Å; R55-F99 PolarHBondContact NE-O 3.37Å; R55-F99 PolarHBondContact NH2-O 2.8Å; R55-F100 HydrophobicContact CB-CE1 3.71Å; R55-F100 HydrophobicContact CB-CZ 3.89Å; R55-F100 HydrophobicContact CG-CD1 4.36Å; R55-F100 HydrophobicContact CG-CE1 3.75Å; R55-F100 HydrophobicContact CG-CZ 3.91Å; R55-D103 IonicContact CZ-OD1 3.96Å; R55-D103 IonicContact CZ-OD2 3.28Å; R55-D103 IonicContact NH1-OD1 3.93Å; R55-D103 PolarHBondContact NH1-OD1 2.9Å; R55-D103 IonicContact NH1-OD2 3.49Å; R55-D103 IonicContact NH2-OD1 3.74Å; R55-D103 PolarHBondContact NH2-OD1 2.68Å; R55-D103 IonicContact NH2-OD2 3.38Å; R55-D103 PolarHBondContact NH2-OD2 3.12Å
56	L	95.8	Very high	93.3	Very high	8 Å²	8	66.2 Å²	66.2	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-55.2	-44	173.5	-179.3	70	0	0	0	111.9	Y26 W29 L33 L52 E58 E59 F60	Y26-L56 HydrophobicContact CD2-CD2 4.08Å; Y26-L56 HydrophobicContact CD2-CG 4.18Å; Y26-L56 HydrophobicContact CE2-CD2 3.76Å; Y26-L56 HydrophobicContact CE2-CG 3.84Å; W29-L56 HydrophobicContact CB-CD1 3.64Å; W29-L56 HydrophobicContact CB-CD2 3.86Å; W29-L56 HydrophobicContact CB-CG 4.42Å; W29-L56 HydrophobicContact CD2-CD1 4.29Å; W29-L56 HydrophobicContact CG-CD1 3.89Å; L33-L56 HydrophobicContact CD1-CB 3.92Å; L33-L56 HydrophobicContact CD1-CD2 3.73Å; L33-L56 HydrophobicContact CD1-CG 4.36Å; L52-L56 PolarHBondContact O-N 3.29Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 2.87Å; L56-E59 PolarHBondContact O-N 3.14Å; L56-F60 HydrophobicContact CD1-CD2 3.89Å; L56-F60 HydrophobicContact CD1-CE2 3.56Å; L56-F60 HydrophobicContact CG-CD2 4.28Å; L56-F60 HydrophobicContact CG-CE2 4.29Å; L56-F60 VanDerWaalsContact O-CD2 3.29Å; L56-F60 WeakPolarHBondContact O-CD2 3.2Å; L56-F60 PolarHBondContact O-N 3.45Å; L56-F60 VanDerWaalsContact O-N 3.14Å
57	R	96.6	Very high	94.1	Very high	94 Å²	94	68.9 Å²	68.9	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-39.3	177.1	-73.9	-174.5	-65.4	-94.9	4.8	112.2	Y26 H53 A54 R55 R61	Y26-R57 HydrophobicContact CE2-CG 4.31Å; Y26-R57 WeakPolarHBondContact OH-CG 3.47Å; H53-R57 WeakPolarHBondContact O-CG 3.33Å; H53-R57 PolarHBondContact O-N 3.48Å; H53-R57 PolarHBondContact O-NH1 3.4Å; A54-R57 WeakPolarHBondContact O-CB 3.48Å; A54-R57 PolarHBondContact O-N 3.21Å; R55-R57 VanDerWaalsContact C-N 3.28Å; R55-R57 PolarHBondContact O-N 3.38Å; R57-R61 WeakPolarHBondContact O-CB 3.38Å; R57-R61 VanDerWaalsContact O-CG 3.28Å; R57-R61 WeakPolarHBondContact O-CG 3.47Å; R57-R61 PolarHBondContact O-N 3.47Å
58	E	95.7	Very high	94.6	Very high	79 Å²	79	71 Å²	71	37%	0.369	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-48	177.7	-166.5	-169.3	155.4	0	0	111.4	A54 R55 L56 F60 R61 K62	A54-E58 PolarHBondContact O-N 3.04Å; R55-E58 WeakPolarHBondContact CD-OE2 3.48Å; R55-E58 IonicContact CZ-OE2 2.76Å; R55-E58 IonicContact NE-OE2 2.97Å; R55-E58 IonicContact NH1-OE1 2.86Å; R55-E58 PolarHBondContact NH1-OE1 3Å; R55-E58 IonicContact NH1-OE2 3.32Å; R55-E58 PolarHBondContact NH1-OE2 3.25Å; R55-E58 WeakPolarHBondContact O-CB 3.47Å; R55-E58 PolarHBondContact O-N 3.48Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 2.87Å; E58-F60 VanDerWaalsContact C-N 3.34Å; E58-F60 PolarHBondContact O-N 3.33Å; E58-R61 CarbonylContact O-C 3.54Å; E58-R61 WeakPolarHBondContact O-CA 3.45Å; E58-R61 WeakPolarHBondContact O-CB 3.41Å; E58-R61 PolarHBondContact O-N 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 PolarHBondContact O-N 3.43Å; E58-K62 WeakPolarHBondContact OE1-CE 3.44Å; E58-K62 IonicContact OE1-NZ 2.8Å
59	E	95.2	Very high	94.7	Very high	28 Å²	28	69 Å²	69	13%	0.131	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-40.5	179.3	-69.6	-55.3	135	0	0	112.8	R55 L56 R61 K62 N63 W79 F99	R55-E59 IonicContact NE-OE1 3.5Å; R55-E59 WeakPolarHBondContact O-CG 3.5Å; R55-E59 PolarHBondContact O-N 3.03Å; L56-E59 PolarHBondContact O-N 3.14Å; E59-R61 VanDerWaalsContact C-N 3.35Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K62 IonicContact OE1-NZ 3.3Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K62 IonicContact OE2-NZ 2.76Å; E59-N63 PolarHBondContact O-ND2 2.98Å; E59-W79 HydrophobicContact CB-CH2 3.58Å; E59-W79 HydrophobicContact CB-CZ2 3.86Å; E59-W79 HydrophobicContact CG-CH2 3.89Å; E59-W79 HydrophobicContact CG-CZ2 4.39Å; E59-F99 HydrophobicContact CG-CD1 4.49Å
60	F	96.2	Very high	94.7	Very high	44 Å²	44	71.6 Å²	71.6	19%	0.193	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-35.5	173	-86.1	-106.9	0	0	0	112	V22 L25 Y26 L56 E58 N63	V22-F60 HydrophobicContact CG1-CD1 4Å; V22-F60 HydrophobicContact CG1-CE1 3.85Å; L25-F60 HydrophobicContact CD2-CZ 4.42Å; L25-F60 HydrophobicContact CG-CZ 4.24Å; Y26-F60 AromaticContact CD2-CD1 3.95Å; Y26-F60 HydrophobicContact CD2-CD1 3.95Å; Y26-F60 AromaticContact CD2-CD2 3.9Å; Y26-F60 HydrophobicContact CD2-CD2 3.9Å; Y26-F60 HydrophobicContact CD2-CE1 4.05Å; Y26-F60 HydrophobicContact CD2-CE2 4Å; Y26-F60 AromaticContact CD2-CG 3.86Å; Y26-F60 HydrophobicContact CD2-CG 3.86Å; Y26-F60 HydrophobicContact CD2-CZ 4.07Å; Y26-F60 HydrophobicContact CE2-CD2 4.47Å; Y26-F60 HydrophobicContact CE2-CG 4.49Å; Y26-F60 HydrophobicContact CG-CE1 4.41Å; L56-F60 HydrophobicContact CD1-CD2 3.89Å; L56-F60 HydrophobicContact CD1-CE2 3.56Å; L56-F60 HydrophobicContact CG-CD2 4.28Å; L56-F60 HydrophobicContact CG-CE2 4.29Å; L56-F60 VanDerWaalsContact O-CD2 3.29Å; L56-F60 WeakPolarHBondContact O-CD2 3.2Å; L56-F60 PolarHBondContact O-N 3.45Å; L56-F60 VanDerWaalsContact O-N 3.14Å; E58-F60 VanDerWaalsContact C-N 3.34Å; E58-F60 PolarHBondContact O-N 3.33Å; F60-N63 PolarHBondContact O-N 3.43Å
61	R	96	Very high	94.8	Very high	163 Å²	163	71.1 Å²	71.1	62%	0.615	33%	0.332	S	S	*	.	H	α-helix	trans	-71.4	-30.7	177.5	-79.9	-179.4	178.2	129.1	-3.8	113.4	R57 E58 E59 N63 K64	R57-R61 WeakPolarHBondContact O-CB 3.38Å; R57-R61 VanDerWaalsContact O-CG 3.28Å; R57-R61 WeakPolarHBondContact O-CG 3.47Å; R57-R61 PolarHBondContact O-N 3.47Å; E58-R61 CarbonylContact O-C 3.54Å; E58-R61 WeakPolarHBondContact O-CA 3.45Å; E58-R61 WeakPolarHBondContact O-CB 3.41Å; E58-R61 PolarHBondContact O-N 3.26Å; E59-R61 VanDerWaalsContact C-N 3.35Å; R61-N63 PolarHBondContact O-N 3.14Å; R61-N63 VanDerWaalsContact O-N 3.14Å; R61-K64 VanDerWaalsContact O-CB 3.29Å; R61-K64 WeakPolarHBondContact O-CB 3.39Å; R61-K64 VanDerWaalsContact O-CG 3.25Å; R61-K64 WeakPolarHBondContact O-CG 3.46Å; R61-K64 PolarHBondContact O-N 3.15Å; R61-K64 VanDerWaalsContact O-N 3.1Å
62	K	94.9	Very high	94.9	Very high	108 Å²	108	69.2 Å²	69.2	47%	0.47	32%	0.32	S	S	.	.	H	α-helix	trans	-55	-30.5	174.2	-74.5	175.4	-177.3	170.8	0	111.9	E58 E59	E58-K62 WeakPolarHBondContact O-CG 3.47Å; E58-K62 PolarHBondContact O-N 3.43Å; E58-K62 WeakPolarHBondContact OE1-CE 3.44Å; E58-K62 IonicContact OE1-NZ 2.8Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K62 IonicContact OE1-NZ 3.3Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K62 IonicContact OE2-NZ 2.76Å
63	N	95.4	Very high	95	Very high	56 Å²	56	69.3 Å²	69.3	30%	0.299	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	10.6	-177.5	-64.1	-56.6	0	0	0	114.2	E59 F60 R61 D65 I66 L75	E59-N63 PolarHBondContact O-ND2 2.98Å; F60-N63 PolarHBondContact O-N 3.43Å; R61-N63 PolarHBondContact O-N 3.14Å; R61-N63 VanDerWaalsContact O-N 3.14Å; N63-D65 VanDerWaalsContact C-N 3.26Å; N63-D65 PolarHBondContact O-N 2.93Å; N63-I66 HydrophobicContact CB-CD1 3.88Å; N63-I66 WeakPolarHBondContact O-CG1 3.46Å; N63-I66 PolarHBondContact O-N 3Å; N63-L75 HydrophobicContact CB-CD1 4.36Å
64	K	94.7	Very high	95	Very high	152 Å²	152	73 Å²	73	66%	0.661	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.2	-173.4	73.8	-175.3	-177.2	176.4	0	114.3	R61 I66	R61-K64 VanDerWaalsContact O-CB 3.29Å; R61-K64 WeakPolarHBondContact O-CB 3.39Å; R61-K64 VanDerWaalsContact O-CG 3.25Å; R61-K64 WeakPolarHBondContact O-CG 3.46Å; R61-K64 PolarHBondContact O-N 3.15Å; R61-K64 VanDerWaalsContact O-N 3.1Å; K64-I66 VanDerWaalsContact C-N 3.31Å
65	D	95.9	Very high	95.1	Very high	120 Å²	120	72.4 Å²	72.4	64%	0.642	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.5	-171.9	-59.8	-51.1	0	0	0	112.7	N63 K67	N63-D65 VanDerWaalsContact C-N 3.26Å; N63-D65 PolarHBondContact O-N 2.93Å; D65-K67 PolarHBondContact O-N 3.28Å
66	I	95	Very high	95.2	Very high	51 Å²	51	72.2 Å²	72.2	26%	0.262	33%	0.33	S	S	.	.			trans	-74.2	122.2	-178.5	-57.9	179.2	0	0	0	110.1	N63 K64 I71 I72 L75	N63-I66 HydrophobicContact CB-CD1 3.88Å; N63-I66 WeakPolarHBondContact O-CG1 3.46Å; N63-I66 PolarHBondContact O-N 3Å; K64-I66 VanDerWaalsContact C-N 3.31Å; I66-I71 HydrophobicContact CD1-CG2 4.28Å; I66-I71 HydrophobicContact CG2-CB 3.91Å; I66-I71 HydrophobicContact CG2-CG2 3.68Å; I66-I72 HydrophobicContact CG2-CG1 3.95Å; I66-L75 HydrophobicContact CD1-CD1 3.36Å
67	K	93.6	Very high	95.2	Very high	170 Å²	170	76.6 Å²	76.6	74%	0.739	35%	0.35	S	S	*	.			trans	-110.2	-19.6	-179.4	-61.7	-178.6	-175.7	178	0	114.4	H15 D65 L69	H15-K67 PolarHBondContact CE1-O 3.2Å; D65-K67 PolarHBondContact O-N 3.28Å; K67-L69 PolarHBondContact O-N 3.07Å
68	D	93.2	Very high	95.2	Very high	53 Å²	53	79.4 Å²	79.4	28%	0.283	36%	0.361	S	S	.	.			trans	-74	120.2	178.5	-171.3	-26.8	0	0	0	110.1	R70 I71 I72	D68-R70 PolarHBondContact O-N 3.25Å; D68-R70 WeakPolarHBondContact OD1-CB 3.47Å; D68-R70 PolarHBondContact OD1-N 3.45Å; D68-R70 IonicContact OD1-NE 2.73Å; D68-R70 PolarHBondContact OD1-NE 2.93Å; D68-R70 IonicContact OD2-CZ 3.38Å; D68-R70 IonicContact OD2-NE 3.9Å; D68-R70 PolarHBondContact OD2-NE 3.37Å; D68-R70 IonicContact OD2-NH2 3.62Å; D68-R70 PolarHBondContact OD2-NH2 2.78Å; D68-I71 HydrophobicContact CB-CB 4.25Å; D68-I71 HydrophobicContact CB-CD1 3.82Å; D68-I71 HydrophobicContact CB-CG1 3.87Å; D68-I71 PolarHBondContact O-N 2.91Å; D68-I71 VanDerWaalsContact O-N 3.13Å; D68-I72 WeakPolarHBondContact O-CG1 3.41Å; D68-I72 PolarHBondContact O-N 2.88Å
69	L	93.1	Very high	95.3	Very high	36 Å²	36	77.3 Å²	77.3	19%	0.188	35%	0.35	C	S	.	.	H	α-helix	trans	-52.8	-38.7	177.8	-81.4	155.4	0	0	0	113.1	N14 A18 K67 I71 I72 D73	N14-L69 VanDerWaalsContact C-CD2 3.44Å; N14-L69 WeakPolarHBondContact O-CD2 3.47Å; A18-L69 HydrophobicContact CB-CD2 3.76Å; K67-L69 PolarHBondContact O-N 3.07Å; L69-I71 VanDerWaalsContact C-N 3.35Å; L69-I72 PolarHBondContact O-N 3.03Å; L69-D73 PolarHBondContact O-N 3.06Å
70	R	93	Very high	95.4	Very high	106 Å²	106	80.1 Å²	80.1	40%	0.4	36%	0.363	S	S	.	.	H	α-helix	trans	-70.1	-36.4	-177.6	-58.7	172.2	-63	163.4	3.6	111.4	I10 D68 D73 L74	I10-R70 HydrophobicContact CD1-CB 4.12Å; I10-R70 HydrophobicContact CG1-CB 4.42Å; I10-R70 HydrophobicContact CG1-CG 4.49Å; D68-R70 PolarHBondContact O-N 3.25Å; D68-R70 WeakPolarHBondContact OD1-CB 3.47Å; D68-R70 PolarHBondContact OD1-N 3.45Å; D68-R70 IonicContact OD1-NE 2.73Å; D68-R70 PolarHBondContact OD1-NE 2.93Å; D68-R70 IonicContact OD2-CZ 3.38Å; D68-R70 IonicContact OD2-NE 3.9Å; D68-R70 PolarHBondContact OD2-NE 3.37Å; D68-R70 IonicContact OD2-NH2 3.62Å; D68-R70 PolarHBondContact OD2-NH2 2.78Å; R70-D73 PolarHBondContact O-N 3.43Å; R70-L74 WeakPolarHBondContact O-CB 3.36Å; R70-L74 PolarHBondContact O-N 3.19Å
71	I	94.6	Very high	95.5	Very high	80 Å²	80	81 Å²	81	41%	0.41	37%	0.369	S	S	.	.	H	α-helix	trans	-69.2	-42	175.9	-58.9	179.8	0	0	0	109.4	I66 D68 L69 D73 L74 L75	I66-I71 HydrophobicContact CD1-CG2 4.28Å; I66-I71 HydrophobicContact CG2-CB 3.91Å; I66-I71 HydrophobicContact CG2-CG2 3.68Å; D68-I71 HydrophobicContact CB-CB 4.25Å; D68-I71 HydrophobicContact CB-CD1 3.82Å; D68-I71 HydrophobicContact CB-CG1 3.87Å; D68-I71 PolarHBondContact O-N 2.91Å; D68-I71 VanDerWaalsContact O-N 3.13Å; L69-I71 VanDerWaalsContact C-N 3.35Å; I71-D73 PolarHBondContact O-N 3.38Å; I71-L74 PolarHBondContact O-N 3.05Å; I71-L75 HydrophobicContact CG2-CD1 4.15Å; I71-L75 HydrophobicContact CG2-CG 4.45Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.46Å; I71-L75 PolarHBondContact O-N 3.11Å
72	I	95.9	Very high	95.5	Very high	24 Å²	24	74.7 Å²	74.7	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-59.2	-47.9	175.3	-63.9	165.8	0	0	0	110.4	A18 V22 I66 D68 L69 L74 L75 I76	A18-I72 HydrophobicContact CB-CG2 4.06Å; V22-I72 HydrophobicContact CG2-CG2 3.93Å; I66-I72 HydrophobicContact CG2-CG1 3.95Å; D68-I72 WeakPolarHBondContact O-CG1 3.41Å; D68-I72 PolarHBondContact O-N 2.88Å; L69-I72 PolarHBondContact O-N 3.03Å; I72-L74 PolarHBondContact O-N 3.01Å; I72-L75 PolarHBondContact O-N 3.06Å; I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.26Å; I72-I76 WeakPolarHBondContact O-CG1 3.38Å; I72-I76 PolarHBondContact O-N 3.02Å
73	D	95.3	Very high	95.6	Very high	8 Å²	8	70.8 Å²	70.8	4%	0.043	33%	0.331	C	S	.	.	H	α-helix	trans	-61.4	-42.7	178	-76.3	-22	0	0	0	112.3	I10 L11 S12 L69 R70 I71 L75 I76 H77	I10-D73 HydrophobicContact CB-CB 4.29Å; L11-D73 WeakPolarHBondContact CA-OD2 3.33Å; L11-D73 HydrophobicContact CB-CB 4.35Å; L11-D73 WeakPolarHBondContact CB-OD2 3.48Å; L11-D73 PolarHBondContact N-OD2 2.97Å; S12-D73 VanDerWaalsContact CB-OD1 3.27Å; S12-D73 WeakPolarHBondContact CB-OD1 3.42Å; S12-D73 PolarHBondContact N-OD2 2.86Å; S12-D73 PolarHBondContact OG-OD1 3.5Å; L69-D73 PolarHBondContact O-N 3.06Å; R70-D73 PolarHBondContact O-N 3.43Å; I71-D73 PolarHBondContact O-N 3.38Å; D73-L75 VanDerWaalsContact C-N 3.33Å; D73-L75 PolarHBondContact O-N 3.48Å; D73-I76 PolarHBondContact O-N 3.36Å; D73-H77 PolarHBondContact O-N 3.33Å
74	L	95.5	Very high	95.7	Very high	95 Å²	95	72.4 Å²	72.4	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-42.2	176.8	-177.3	66.9	0	0	0	111.6	R70 I71 I72 H77 R78	R70-L74 WeakPolarHBondContact O-CB 3.36Å; R70-L74 PolarHBondContact O-N 3.19Å; I71-L74 PolarHBondContact O-N 3.05Å; I72-L74 PolarHBondContact O-N 3.01Å; L74-H77 PolarHBondContact O-N 2.93Å; L74-R78 PolarHBondContact O-N 3.47Å
75	L	96.7	Very high	95.7	Very high	31 Å²	31	68.3 Å²	68.3	16%	0.162	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-44.1	176.2	-73.8	173.3	0	0	0	111.2	N63 I66 I71 I72 D73 H77 R78 W79	N63-L75 HydrophobicContact CB-CD1 4.36Å; I66-L75 HydrophobicContact CD1-CD1 3.36Å; I71-L75 HydrophobicContact CG2-CD1 4.15Å; I71-L75 HydrophobicContact CG2-CG 4.45Å; I71-L75 WeakPolarHBondContact O-CB 3.42Å; I71-L75 WeakPolarHBondContact O-CG 3.46Å; I71-L75 PolarHBondContact O-N 3.11Å; I72-L75 PolarHBondContact O-N 3.06Å; D73-L75 VanDerWaalsContact C-N 3.33Å; D73-L75 PolarHBondContact O-N 3.48Å; L75-H77 VanDerWaalsContact C-N 3.29Å; L75-H77 PolarHBondContact O-N 2.68Å; L75-R78 PolarHBondContact O-N 3.18Å; L75-W79 WeakPolarHBondContact O-CB 3.34Å; L75-W79 PolarHBondContact O-N 3.02Å
76	I	96.5	Very high	95.7	Very high	10 Å²	10	62.8 Å²	62.8	5%	0.051	29%	0.293	C	S	.	.	H	α-helix	trans	-56.1	-48.3	175.3	-68.5	162.4	0	0	0	110	R21 V22 L25 I72 D73 R78 W79 Q80	R21-I76 HydrophobicContact CB-CD1 3.84Å; V22-I76 HydrophobicContact CG2-CD1 3.72Å; V22-I76 HydrophobicContact CG2-CG1 3.93Å; L25-I76 HydrophobicContact CD2-CB 4.36Å; L25-I76 HydrophobicContact CD2-CG1 4.47Å; L25-I76 HydrophobicContact CD2-CG2 4.1Å; I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.26Å; I72-I76 WeakPolarHBondContact O-CG1 3.38Å; I72-I76 PolarHBondContact O-N 3.02Å; D73-I76 PolarHBondContact O-N 3.36Å; I76-R78 PolarHBondContact O-N 3.37Å; I76-W79 PolarHBondContact O-N 3.06Å; I76-Q80 HydrophobicContact CG2-CG 4.31Å; I76-Q80 WeakPolarHBondContact O-CB 3.48Å; I76-Q80 VanDerWaalsContact O-CG 3.28Å; I76-Q80 WeakPolarHBondContact O-CG 3.28Å; I76-Q80 PolarHBondContact O-N 2.94Å
77	H	96.5	Very high	95.6	Very high	100 Å²	100	62 Å²	62	46%	0.463	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-44.7	179.8	-176.6	62.5	0	0	0	112.1	D73 L74 L75 W79 Q80 N81	D73-H77 PolarHBondContact O-N 3.33Å; L74-H77 PolarHBondContact O-N 2.93Å; L75-H77 VanDerWaalsContact C-N 3.29Å; L75-H77 PolarHBondContact O-N 2.68Å; H77-W79 PolarHBondContact O-N 3.34Å; H77-Q80 WeakPolarHBondContact O-CB 3Å; H77-Q80 PolarHBondContact O-N 3.46Å; H77-N81 PolarHBondContact NE2-ND2 2.93Å; H77-N81 VanDerWaalsContact NE2-ND2 3.1Å; H77-N81 PolarHBondContact O-N 2.61Å
78	R	96.9	Very high	95.7	Very high	154 Å²	154	58.9 Å²	58.9	58%	0.581	28%	0.282	S	S	*	.	H	α-helix	trans	-56.7	-49	175.5	-177.3	-176.6	-65.3	-177.3	-2.2	111.7	L74 L75 I76 Q80 N81 E82	L74-R78 PolarHBondContact O-N 3.47Å; L75-R78 PolarHBondContact O-N 3.18Å; I76-R78 PolarHBondContact O-N 3.37Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 3.07Å; R78-N81 PolarHBondContact O-N 3.21Å; R78-E82 WeakPolarHBondContact O-CB 3.33Å; R78-E82 PolarHBondContact O-N 2.95Å
79	W	97.1	Very high	95.7	Very high	35 Å²	35	60.7 Å²	60.7	13%	0.133	29%	0.292	C	S	.	.	H	α-helix	trans	-71.7	-22.3	-179	-82.3	92.9	0	0	0	113.7	L25 W29 E59 L75 I76 H77 L83 F99	L25-W79 HydrophobicContact CD2-CB 3.55Å; L25-W79 HydrophobicContact CG-CB 4.46Å; W29-W79 AromaticContact CE2-CE3 3.84Å; W29-W79 AromaticContact CZ2-CE3 3.94Å; W29-W79 HydrophobicContact CZ2-CE3 3.94Å; W29-W79 HydrophobicContact CZ2-CZ3 4.24Å; W29-W79 AromaticContact NE1-CE3 3.71Å; W29-W79 PolarHBondContact NE1-O 3.2Å; W29-W79 VanDerWaalsContact NE1-O 3.15Å; E59-W79 HydrophobicContact CB-CH2 3.58Å; E59-W79 HydrophobicContact CB-CZ2 3.86Å; E59-W79 HydrophobicContact CG-CH2 3.89Å; E59-W79 HydrophobicContact CG-CZ2 4.39Å; L75-W79 WeakPolarHBondContact O-CB 3.34Å; L75-W79 PolarHBondContact O-N 3.02Å; I76-W79 PolarHBondContact O-N 3.06Å; H77-W79 PolarHBondContact O-N 3.34Å; W79-L83 WeakPolarHBondContact O-CB 3.42Å; W79-L83 PolarHBondContact O-N 3.33Å; W79-L83 VanDerWaalsContact O-N 3.14Å; W79-F99 AromaticContact CH2-CE1 3.87Å; W79-F99 HydrophobicContact CH2-CE1 3.87Å; W79-F99 HydrophobicContact CZ3-CE1 4.32Å
80	Q	97.5	Very high	95.8	Very high	87 Å²	87	68 Å²	68	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-71.4	-44.2	169.6	-77.5	175.1	-30.3	0	0	111.3	L25 I76 H77 R78 E82 L83 L84	L25-Q80 HydrophobicContact CD1-CG 3.75Å; I76-Q80 HydrophobicContact CG2-CG 4.31Å; I76-Q80 WeakPolarHBondContact O-CB 3.48Å; I76-Q80 VanDerWaalsContact O-CG 3.28Å; I76-Q80 WeakPolarHBondContact O-CG 3.28Å; I76-Q80 PolarHBondContact O-N 2.94Å; H77-Q80 WeakPolarHBondContact O-CB 3Å; H77-Q80 PolarHBondContact O-N 3.46Å; R78-Q80 VanDerWaalsContact C-N 3.3Å; R78-Q80 PolarHBondContact O-N 3.07Å; Q80-E82 VanDerWaalsContact C-N 3.35Å; Q80-L83 WeakPolarHBondContact O-CB 3.46Å; Q80-L83 PolarHBondContact O-N 3.3Å; Q80-L84 WeakPolarHBondContact O-CG 3.23Å; Q80-L84 PolarHBondContact O-N 3.26Å
81	N	97.4	Very high	95.7	Very high	61 Å²	61	64.7 Å²	64.7	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-45.1	176.2	-65.1	-17.2	0	0	0	110.6	H77 R78 L83 L84 E85	H77-N81 PolarHBondContact NE2-ND2 2.93Å; H77-N81 VanDerWaalsContact NE2-ND2 3.1Å; H77-N81 PolarHBondContact O-N 2.61Å; R78-N81 PolarHBondContact O-N 3.21Å; N81-L83 VanDerWaalsContact C-N 3.29Å; N81-L83 PolarHBondContact O-N 2.73Å; N81-L84 WeakPolarHBondContact O-CB 3.44Å; N81-L84 PolarHBondContact O-N 2.67Å; N81-E85 WeakPolarHBondContact O-CG 3.02Å; N81-E85 PolarHBondContact O-N 3.11Å
82	E	96.5	Very high	95.5	Very high	31 Å²	31	63.3 Å²	63.3	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-42.6	174.7	-172.8	73.8	-160.4	0	0	112	W29 R78 Q80 L84 E85 V86 K91 F99	W29-E82 HydrophobicContact CH2-CG 4.03Å; W29-E82 HydrophobicContact CZ2-CB 4.07Å; W29-E82 HydrophobicContact CZ2-CG 3.81Å; R78-E82 WeakPolarHBondContact O-CB 3.33Å; R78-E82 PolarHBondContact O-N 2.95Å; Q80-E82 VanDerWaalsContact C-N 3.35Å; E82-L84 VanDerWaalsContact C-N 3.33Å; E82-L84 PolarHBondContact O-N 3.26Å; E82-E85 PolarHBondContact O-N 2.82Å; E82-V86 WeakPolarHBondContact O-CG2 3.48Å; E82-V86 PolarHBondContact O-N 3.13Å; E82-K91 VanDerWaalsContact CD-CE 3.41Å; E82-K91 VanDerWaalsContact OE1-CD 3.28Å; E82-K91 WeakPolarHBondContact OE1-CD 3.26Å; E82-K91 WeakPolarHBondContact OE1-CE 3.42Å; E82-K91 IonicContact OE1-NZ 3.93Å; E82-K91 PolarHBondContact OE1-NZ 3.28Å; E82-K91 WeakPolarHBondContact OE2-CE 3.39Å; E82-K91 IonicContact OE2-NZ 3.54Å; E82-K91 PolarHBondContact OE2-NZ 3.35Å; E82-F99 HydrophobicContact CG-CZ 4.18Å; E82-F99 WeakPolarHBondContact OE1-CE2 3.45Å; E82-F99 WeakPolarHBondContact OE1-CZ 3.43Å
83	L	97	Very high	95.2	Very high	26 Å²	26	64.1 Å²	64.1	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-40.5	176.7	179.7	62.1	0	0	0	111.8	A28 W29 Q32 W79 Q80 N81 A87	A28-L83 HydrophobicContact CB-CD2 3.7Å; W29-L83 HydrophobicContact CD2-CB 4.45Å; W29-L83 HydrophobicContact CD2-CD1 3.75Å; W29-L83 HydrophobicContact CE3-CD1 3.91Å; W29-L83 HydrophobicContact CG-CD1 4.18Å; W29-L83 HydrophobicContact CH2-CB 4.46Å; W29-L83 HydrophobicContact CH2-CD1 4.34Å; W29-L83 VanDerWaalsContact CZ2-CA 3.49Å; W29-L83 HydrophobicContact CZ2-CB 3.73Å; W29-L83 HydrophobicContact CZ2-CD1 4.19Å; W29-L83 HydrophobicContact CZ3-CD1 4.2Å; Q32-L83 HydrophobicContact CB-CD1 3.69Å; Q32-L83 HydrophobicContact CG-CD1 3.88Å; W79-L83 WeakPolarHBondContact O-CB 3.42Å; W79-L83 PolarHBondContact O-N 3.33Å; W79-L83 VanDerWaalsContact O-N 3.14Å; Q80-L83 WeakPolarHBondContact O-CB 3.46Å; Q80-L83 PolarHBondContact O-N 3.3Å; N81-L83 VanDerWaalsContact C-N 3.29Å; N81-L83 PolarHBondContact O-N 2.73Å; L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 3.38Å
84	L	97.2	Very high	94.9	Very high	90 Å²	90	68 Å²	68	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-66.5	-42.9	177.2	-68.7	168	0	0	0	111	Q80 N81 E82 V86 A87 H88	Q80-L84 WeakPolarHBondContact O-CG 3.23Å; Q80-L84 PolarHBondContact O-N 3.26Å; N81-L84 WeakPolarHBondContact O-CB 3.44Å; N81-L84 PolarHBondContact O-N 2.67Å; E82-L84 VanDerWaalsContact C-N 3.33Å; E82-L84 PolarHBondContact O-N 3.26Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 PolarHBondContact O-N 2.73Å; L84-A87 PolarHBondContact O-N 3.3Å; L84-H88 WeakPolarHBondContact O-CB 3.32Å; L84-H88 PolarHBondContact O-N 3.18Å; L84-H88 PolarHBondContact O-ND1 3.11Å
85	E	96.5	Very high	94.6	Very high	67 Å²	67	67.7 Å²	67.7	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-41.2	177.7	-72.1	174.8	-164	0	0	112	N81 E82 L89 W90 K91	N81-E85 WeakPolarHBondContact O-CG 3.02Å; N81-E85 PolarHBondContact O-N 3.11Å; E82-E85 PolarHBondContact O-N 2.82Å; E85-L89 PolarHBondContact O-N 2.81Å; E85-W90 HydrophobicContact CB-CB 4.39Å; E85-W90 HydrophobicContact CG-CE3 4.23Å; E85-W90 PolarHBondContact O-N 2.83Å; E85-K91 HydrophobicContact CB-CD 4.43Å; E85-K91 HydrophobicContact CB-CG 4.12Å; E85-K91 PolarHBondContact O-N 3.33Å; E85-K91 WeakPolarHBondContact OE2-CE 3.28Å
86	V	94.4	Very high	94.3	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-69.7	-46.7	176.2	173.5	0	0	0	0	111	W29 I36 Y40 E82 L84 H88 L89 K91	W29-V86 HydrophobicContact CH2-CB 4.42Å; W29-V86 HydrophobicContact CH2-CG2 4.09Å; I36-V86 HydrophobicContact CD1-CG1 3.98Å; I36-V86 HydrophobicContact CG1-CG1 4.06Å; Y40-V86 HydrophobicContact CE2-CG1 3.99Å; Y40-V86 PolarHBondContact OH-O 3.29Å; E82-V86 WeakPolarHBondContact O-CG2 3.48Å; E82-V86 PolarHBondContact O-N 3.13Å; L84-V86 VanDerWaalsContact C-N 3.32Å; L84-V86 PolarHBondContact O-N 2.73Å; V86-H88 VanDerWaalsContact C-N 3.3Å; V86-H88 PolarHBondContact O-N 3.25Å; V86-L89 PolarHBondContact O-N 3.15Å; V86-L89 VanDerWaalsContact O-N 3.13Å; V86-K91 HydrophobicContact CG2-CD 4.17Å
87	A	94.3	Very high	94	Very high	36 Å²	36	67.4 Å²	67.4	30%	0.298	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-29.6	-177.4	0	0	0	0	0	113.7	Q32 L83 L84	Q32-A87 HydrophobicContact CG-CB 4.43Å; L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 3.38Å; L84-A87 PolarHBondContact O-N 3.3Å
88	H	95.3	Very high	93.7	Very high	104 Å²	104	65.9 Å²	65.9	48%	0.481	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.5	175.7	-62.7	96.4	0	0	0	113.5	L84 V86 W90	L84-H88 WeakPolarHBondContact O-CB 3.32Å; L84-H88 PolarHBondContact O-N 3.18Å; L84-H88 PolarHBondContact O-ND1 3.11Å; V86-H88 VanDerWaalsContact C-N 3.3Å; V86-H88 PolarHBondContact O-N 3.25Å; H88-W90 HydrophobicContact CB-CD2 4Å; H88-W90 HydrophobicContact CB-CG 4.09Å; H88-W90 HydrophobicContact CB-CZ2 4.17Å; H88-W90 PolarHBondContact O-N 3.19Å
89	L	92.6	Very high	93.3	Very high	91 Å²	91	61.1 Å²	61.1	48%	0.476	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	31.7	-178.9	-62.6	164.2	0	0	0	113.7	E39 Y40 E85 V86	E39-L89 HydrophobicContact CB-CD2 3.65Å; E39-L89 HydrophobicContact CG-CD2 4.27Å; Y40-L89 HydrophobicContact CD2-CD2 4.28Å; Y40-L89 HydrophobicContact CE1-CD2 4.28Å; Y40-L89 HydrophobicContact CE2-CD2 3.66Å; E85-L89 PolarHBondContact O-N 2.81Å; V86-L89 PolarHBondContact O-N 3.15Å; V86-L89 VanDerWaalsContact O-N 3.13Å
90	W	94.8	Very high	93	Very high	190 Å²	190	59.9 Å²	59.9	72%	0.72	30%	0.3	S	S	*	.			trans	-80.7	-26.7	174.1	-62.2	-9.4	0	0	0	111.8	E85 H88	E85-W90 HydrophobicContact CB-CB 4.39Å; E85-W90 HydrophobicContact CG-CE3 4.23Å; E85-W90 PolarHBondContact O-N 2.83Å; H88-W90 HydrophobicContact CB-CD2 4Å; H88-W90 HydrophobicContact CB-CG 4.09Å; H88-W90 HydrophobicContact CB-CZ2 4.17Å; H88-W90 PolarHBondContact O-N 3.19Å
91	K	91.2	Very high	92.4	Very high	36 Å²	36	61.6 Å²	61.6	16%	0.157	30%	0.303	C	S	.	.	S	Bend	trans	-79.7	140.6	169.5	-93.4	-173.5	176.8	-137.7	0	111.4	Y40 E82 E85 V86 H95	Y40-K91 VanDerWaalsContact CE1-O 3.23Å; Y40-K91 WeakPolarHBondContact CE1-O 3.46Å; Y40-K91 PolarHBondContact OH-O 3.33Å; E82-K91 VanDerWaalsContact CD-CE 3.41Å; E82-K91 VanDerWaalsContact OE1-CD 3.28Å; E82-K91 WeakPolarHBondContact OE1-CD 3.26Å; E82-K91 WeakPolarHBondContact OE1-CE 3.42Å; E82-K91 IonicContact OE1-NZ 3.93Å; E82-K91 PolarHBondContact OE1-NZ 3.28Å; E82-K91 WeakPolarHBondContact OE2-CE 3.39Å; E82-K91 IonicContact OE2-NZ 3.54Å; E82-K91 PolarHBondContact OE2-NZ 3.35Å; E85-K91 HydrophobicContact CB-CD 4.43Å; E85-K91 HydrophobicContact CB-CG 4.12Å; E85-K91 PolarHBondContact O-N 3.33Å; E85-K91 WeakPolarHBondContact OE2-CE 3.28Å; V86-K91 HydrophobicContact CG2-CD 4.17Å; K91-H95 HydrophobicContact CB-CB 4.39Å; K91-H95 HydrophobicContact CD-CB 4Å; K91-H95 HydrophobicContact CG-CB 4.09Å
92	S	90.2	Very high	91.7	Very high	50 Å²	50	62.9 Å²	62.9	35%	0.35	31%	0.307	S	S	.	.			trans	-78.2	157.4	169	62.5	0	0	0	0	112	T94 H95 V96	S92-T94 PolarHBondContact O-N 3.49Å; S92-T94 PolarHBondContact OG-OG1 3.17Å; S92-H95 WeakPolarHBondContact O-CB 3.35Å; S92-H95 PolarHBondContact O-N 3.11Å; S92-H95 PolarHBondContact OG-ND1 2.76Å; S92-V96 PolarHBondContact O-N 2.97Å
93	D	89.4	Confident	91	Very high	41 Å²	41	65.9 Å²	65.9	22%	0.219	32%	0.324	C	S	.	.	H	α-helix	trans	-45.6	-44.7	173.8	-73.7	41.1	0	0	0	113.4	Y40 H42 S43 H95 V96 M97	Y40-D93 HydrophobicContact CD1-CB 4.42Å; Y40-D93 VanDerWaalsContact CD1-OD1 3.28Å; Y40-D93 WeakPolarHBondContact CD1-OD1 3.22Å; H42-D93 WeakPolarHBondContact CB-OD2 3.28Å; H42-D93 PolarHBondContact N-OD2 3.3Å; S43-D93 PolarHBondContact N-OD2 2.97Å; S43-D93 VanDerWaalsContact N-OD2 3.1Å; D93-H95 VanDerWaalsContact C-N 3.31Å; D93-H95 PolarHBondContact O-N 3.14Å; D93-V96 PolarHBondContact O-N 2.86Å; D93-V96 VanDerWaalsContact O-N 3.11Å; D93-M97 WeakPolarHBondContact O-CG 3.47Å; D93-M97 PolarHBondContact O-N 3.37Å
94	T	88.9	Confident	90.1	Very high	89 Å²	89	71.9 Å²	71.9	55%	0.546	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-40.2	178.7	51.6	0	0	0	0	112.9	S92 V96 M97 D98	S92-T94 PolarHBondContact O-N 3.49Å; S92-T94 PolarHBondContact OG-OG1 3.17Å; T94-V96 VanDerWaalsContact C-N 3.32Å; T94-V96 PolarHBondContact O-N 3.42Å; T94-M97 PolarHBondContact O-N 2.89Å; T94-D98 PolarHBondContact O-N 3.07Å
95	H	90.6	Very high	89.3	Confident	89 Å²	89	73.2 Å²	73.2	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-71.3	-28.8	178.6	-69.6	109.1	0	0	0	112.3	K91 S92 D93	K91-H95 HydrophobicContact CB-CB 4.39Å; K91-H95 HydrophobicContact CD-CB 4Å; K91-H95 HydrophobicContact CG-CB 4.09Å; S92-H95 WeakPolarHBondContact O-CB 3.35Å; S92-H95 PolarHBondContact O-N 3.11Å; S92-H95 PolarHBondContact OG-ND1 2.76Å; D93-H95 VanDerWaalsContact C-N 3.31Å; D93-H95 PolarHBondContact O-N 3.14Å
96	V	90.4	Very high	88.4	Confident	6 Å²	6	75.6 Å²	75.6	4%	0.036	37%	0.366	C	S	.	.	H	α-helix	trans	-71.7	-41.4	171.8	179.1	0	0	0	0	110.1	I36 Y40 S92 D93 T94 D98 F99	I36-V96 HydrophobicContact CG2-CG1 4.02Å; Y40-V96 HydrophobicContact CD1-CG2 3.89Å; Y40-V96 HydrophobicContact CD2-CG2 4.46Å; Y40-V96 HydrophobicContact CE1-CG2 3.59Å; Y40-V96 HydrophobicContact CE2-CG2 4.2Å; Y40-V96 HydrophobicContact CG-CG2 4.31Å; S92-V96 PolarHBondContact O-N 2.97Å; D93-V96 PolarHBondContact O-N 2.86Å; D93-V96 VanDerWaalsContact O-N 3.11Å; T94-V96 VanDerWaalsContact C-N 3.32Å; T94-V96 PolarHBondContact O-N 3.42Å; V96-D98 PolarHBondContact O-N 2.99Å; V96-F99 WeakPolarHBondContact O-CD2 3.31Å; V96-F99 PolarHBondContact O-N 2.86Å
97	M	88.8	Confident	87.6	Confident	29 Å²	29	82.8 Å²	82.8	14%	0.143	40%	0.399	C	S	.	.	H	α-helix	trans	-66.6	-24.2	176	-67.1	-51.6	137.7	0	0	114	S43 L47 D93 T94 F99 F100 R101	S43-M97 WeakPolarHBondContact O-CE 3.43Å; S43-M97 WeakPolarHBondContact OG-CG 3.39Å; L47-M97 HydrophobicContact CD1-CE 3.23Å; L47-M97 HydrophobicContact CD1-SD 3.75Å; L47-M97 HydrophobicContact CG-CE 4.06Å; L47-M97 HydrophobicContact CG-SD 4.24Å; D93-M97 WeakPolarHBondContact O-CG 3.47Å; D93-M97 PolarHBondContact O-N 3.37Å; T94-M97 PolarHBondContact O-N 2.89Å; M97-F99 PolarHBondContact O-N 3.21Å; M97-F99 VanDerWaalsContact O-N 3.15Å; M97-F100 WeakPolarHBondContact O-CA 3.42Å; M97-F100 WeakPolarHBondContact O-CB 3.14Å; M97-F100 PolarHBondContact O-N 2.63Å; M97-R101 PolarHBondContact O-N 3.29Å
98	D	90.1	Very high	86.9	Confident	68 Å²	68	87.7 Å²	87.7	36%	0.364	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.8	176.5	-85.4	-17.9	0	0	0	112.8	T94 V96 F100 R101	T94-D98 PolarHBondContact O-N 3.07Å; V96-D98 PolarHBondContact O-N 2.99Å; D98-F100 PolarHBondContact O-N 3.22Å; D98-R101 VanDerWaalsContact O-CB 3.25Å; D98-R101 WeakPolarHBondContact O-CB 3.1Å; D98-R101 PolarHBondContact O-N 2.94Å; D98-R101 IonicContact OD1-CZ 3.67Å; D98-R101 VanDerWaalsContact OD1-CZ 3.31Å; D98-R101 IonicContact OD1-NE 3.07Å; D98-R101 PolarHBondContact OD1-NE 3.09Å; D98-R101 IonicContact OD1-NH2 2.68Å; D98-R101 PolarHBondContact OD1-NH2 3.33Å; D98-R101 IonicContact OD2-CZ 2.61Å; D98-R101 IonicContact OD2-NH2 2.9Å; D98-R101 PolarHBondContact OD2-NH2 3.37Å
99	F	90	Very high	86.2	Confident	54 Å²	54	85 Å²	85	24%	0.237	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-62.3	-24.7	171.2	-74	-78.6	0	0	0	112.6	R55 E59 W79 E82 V96 M97	R55-F99 PolarHBondContact NE-O 3.37Å; R55-F99 PolarHBondContact NH2-O 2.8Å; E59-F99 HydrophobicContact CG-CD1 4.49Å; W79-F99 AromaticContact CH2-CE1 3.87Å; W79-F99 HydrophobicContact CH2-CE1 3.87Å; W79-F99 HydrophobicContact CZ3-CE1 4.32Å; E82-F99 HydrophobicContact CG-CZ 4.18Å; E82-F99 WeakPolarHBondContact OE1-CE2 3.45Å; E82-F99 WeakPolarHBondContact OE1-CZ 3.43Å; V96-F99 WeakPolarHBondContact O-CD2 3.31Å; V96-F99 PolarHBondContact O-N 2.86Å; M97-F99 PolarHBondContact O-N 3.21Å; M97-F99 VanDerWaalsContact O-N 3.15Å
100	F	89.4	Confident	85.6	Confident	10 Å²	10	88.3 Å²	88.3	4%	0.044	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-98.8	-0.9	-179.9	-61.7	-84.4	0	0	0	112.9	L47 V51 L52 R55 M97 D98 E102 D103 Y104	L47-F100 HydrophobicContact CD1-CD2 4.34Å; L47-F100 HydrophobicContact CD1-CE2 3.92Å; L47-F100 HydrophobicContact CD2-CD1 4.01Å; L47-F100 HydrophobicContact CD2-CD2 3.8Å; L47-F100 HydrophobicContact CD2-CE1 3.69Å; L47-F100 HydrophobicContact CD2-CE2 3.48Å; L47-F100 VanDerWaalsContact CD2-CE2 3.48Å; L47-F100 HydrophobicContact CD2-CG 4.07Å; L47-F100 HydrophobicContact CD2-CZ 3.44Å; L47-F100 VanDerWaalsContact CD2-CZ 3.44Å; L47-F100 HydrophobicContact CG-CE2 4.39Å; V51-F100 HydrophobicContact CG1-CE1 3.85Å; L52-F100 HydrophobicContact CD2-CE2 4.09Å; L52-F100 HydrophobicContact CD2-CZ 3.74Å; R55-F100 HydrophobicContact CB-CE1 3.71Å; R55-F100 HydrophobicContact CB-CZ 3.89Å; R55-F100 HydrophobicContact CG-CD1 4.36Å; R55-F100 HydrophobicContact CG-CE1 3.75Å; R55-F100 HydrophobicContact CG-CZ 3.91Å; M97-F100 WeakPolarHBondContact O-CA 3.42Å; M97-F100 WeakPolarHBondContact O-CB 3.14Å; M97-F100 PolarHBondContact O-N 2.63Å; D98-F100 PolarHBondContact O-N 3.22Å; F100-E102 PolarHBondContact O-N 3.5Å; F100-D103 WeakPolarHBondContact O-CB 3.45Å; F100-D103 PolarHBondContact O-N 3.1Å; F100-Y104 HydrophobicContact CB-CD2 4.38Å; F100-Y104 HydrophobicContact CB-CE2 3.88Å; F100-Y104 VanDerWaalsContact O-CD2 3.31Å; F100-Y104 WeakPolarHBondContact O-CD2 3.25Å
101	R	86.5	Confident	85.2	Confident	123 Å²	123	83.7 Å²	83.7	46%	0.464	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.9	-174.5	-171.7	-170.9	-66.1	173.9	-8.6	114.1	M97 D98 D103 Y104 R105	M97-R101 PolarHBondContact O-N 3.29Å; D98-R101 VanDerWaalsContact O-CB 3.25Å; D98-R101 WeakPolarHBondContact O-CB 3.1Å; D98-R101 PolarHBondContact O-N 2.94Å; D98-R101 IonicContact OD1-CZ 3.67Å; D98-R101 VanDerWaalsContact OD1-CZ 3.31Å; D98-R101 IonicContact OD1-NE 3.07Å; D98-R101 PolarHBondContact OD1-NE 3.09Å; D98-R101 IonicContact OD1-NH2 2.68Å; D98-R101 PolarHBondContact OD1-NH2 3.33Å; D98-R101 IonicContact OD2-CZ 2.61Å; D98-R101 IonicContact OD2-NH2 2.9Å; D98-R101 PolarHBondContact OD2-NH2 3.37Å; R101-D103 PolarHBondContact O-N 3.34Å; R101-Y104 PolarHBondContact O-N 3.22Å; R101-R105 PolarHBondContact O-N 2.96Å
102	E	82.4	Confident	84.9	Confident	88 Å²	88	89.3 Å²	89.3	41%	0.411	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.3	-179.9	-161.3	66.2	-166.3	0	0	112.4	F100 Y104 R105 K108	F100-E102 PolarHBondContact O-N 3.5Å; E102-Y104 VanDerWaalsContact C-N 3.31Å; E102-R105 PolarHBondContact O-N 3.47Å; E102-R105 WeakPolarHBondContact OE2-CD 2.99Å; E102-R105 IonicContact OE2-CZ 3.94Å; E102-R105 IonicContact OE2-NE 3.22Å; E102-R105 IonicContact OE2-NH1 2.68Å; E102-R105 PolarHBondContact OE2-NH1 2.77Å; E102-K108 IonicContact OE1-NZ 3.31Å
103	D	80.6	Confident	84.7	Confident	94 Å²	94	91.5 Å²	91.5	50%	0.503	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-24.4	-177.7	-47.6	-20.9	0	0	0	111.1	R55 F100 R101	R55-D103 IonicContact CZ-OD1 3.96Å; R55-D103 IonicContact CZ-OD2 3.28Å; R55-D103 IonicContact NH1-OD1 3.93Å; R55-D103 PolarHBondContact NH1-OD1 2.9Å; R55-D103 IonicContact NH1-OD2 3.49Å; R55-D103 IonicContact NH2-OD1 3.74Å; R55-D103 PolarHBondContact NH2-OD1 2.68Å; R55-D103 IonicContact NH2-OD2 3.38Å; R55-D103 PolarHBondContact NH2-OD2 3.12Å; F100-D103 WeakPolarHBondContact O-CB 3.45Å; F100-D103 PolarHBondContact O-N 3.1Å; R101-D103 PolarHBondContact O-N 3.34Å
104	Y	79.2	Confident	84.5	Confident	151 Å²	151	93.7 Å²	93.7	59%	0.592	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.7	176.7	-61.5	-78.9	0	0	0	113.6	F100 R101 E102	F100-Y104 HydrophobicContact CB-CD2 4.38Å; F100-Y104 HydrophobicContact CB-CE2 3.88Å; F100-Y104 VanDerWaalsContact O-CD2 3.31Å; F100-Y104 WeakPolarHBondContact O-CD2 3.25Å; R101-Y104 PolarHBondContact O-N 3.22Å; E102-Y104 VanDerWaalsContact C-N 3.31Å
105	R	78.9	Confident	84.3	Confident	118 Å²	118	94.3 Å²	94.3	45%	0.445	44%	0.444	S	S	.	.	S	Bend	trans	-76.7	141.1	175.4	-81.9	174.9	174.8	171.1	-4.8	109.7	R101 E102 E107	R101-R105 PolarHBondContact O-N 2.96Å; E102-R105 PolarHBondContact O-N 3.47Å; E102-R105 WeakPolarHBondContact OE2-CD 2.99Å; E102-R105 IonicContact OE2-CZ 3.94Å; E102-R105 IonicContact OE2-NE 3.22Å; E102-R105 IonicContact OE2-NH1 2.68Å; E102-R105 PolarHBondContact OE2-NH1 2.77Å; R105-E107 PolarHBondContact O-N 3.1Å
106	P	79.6	Confident	84.1	Confident	118 Å²	118	96.8 Å²	96.8	77%	0.766	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-57	135.1	170.5	24.7	-32.2	0	0	0	109	K108	P106-K108 PolarHBondContact O-N 2.84Å; P106-K108 VanDerWaalsContact O-N 3.17Å
107	E	76.1	Confident	83.9	Confident	153 Å²	153	102.6 Å²	102.6	72%	0.715	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-52.5	125.5	-178.4	-71.4	-162.1	-157.8	0	0	109.6	R105 K110	R105-E107 PolarHBondContact O-N 3.1Å; E107-K110 WeakPolarHBondContact OE2-CE 3.46Å; E107-K110 IonicContact OE2-NZ 3.82Å; E107-K110 PolarHBondContact OE2-NZ 3.33Å
108	K	79.9	Confident	83.7	Confident	140 Å²	140	103.9 Å²	103.9	61%	0.609	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-62.6	133.8	176.3	-66.9	-179.6	-171.1	168.3	0	107.9	E102 P106 K110	E102-K108 IonicContact OE1-NZ 3.31Å; P106-K108 PolarHBondContact O-N 2.84Å; P106-K108 VanDerWaalsContact O-N 3.17Å; K108-K110 PolarHBondContact O-N 3.1Å; K108-K110 VanDerWaalsContact O-N 3.1Å
109	P	80.3	Confident	83.1	Confident	47 Å²	47	103.9 Å²	103.9	31%	0.305	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-56	121.7	177.3	21.9	-32.2	0	0	0	109	D114 K115	P109-D114 HydrophobicContact CB-CB 3.47Å; P109-D114 VanDerWaalsContact CB-CB 3.47Å; P109-K115 HydrophobicContact CB-CG 3.85Å; P109-K115 HydrophobicContact CG-CB 4.5Å; P109-K115 HydrophobicContact CG-CG 3.72Å; P109-K115 WeakPolarHBondContact O-CE 3.27Å
110	K	81.4	Confident	81.9	Confident	160 Å²	160	109.3 Å²	109.3	70%	0.696	54%	0.536	S	S	*	.			trans	-85.4	-43.5	-172.9	-64.8	175.3	-170.4	152.9	0	110	E107 K108	E107-K110 WeakPolarHBondContact OE2-CE 3.46Å; E107-K110 IonicContact OE2-NZ 3.82Å; E107-K110 PolarHBondContact OE2-NZ 3.33Å; K108-K110 PolarHBondContact O-N 3.1Å; K108-K110 VanDerWaalsContact O-N 3.1Å
111	D	85.4	Confident	80.3	Confident	94 Å²	94	121.6 Å²	121.6	50%	0.503	59%	0.593	S	S	.	*	S	Bend	trans	-83.7	155.7	-178.6	-167.4	25.5	0	0	0	112.3	L113 D114 K115	D111-L113 VanDerWaalsContact C-N 3.29Å; D111-L113 PolarHBondContact O-N 3.45Å; D111-D114 PolarHBondContact O-N 3.44Å; D111-K115 WeakPolarHBondContact O-CG 3.39Å; D111-K115 PolarHBondContact O-N 3.17Å; D111-K115 VanDerWaalsContact O-N 3.1Å
112	F	85.5	Confident	80	Confident	154 Å²	154	121.6 Å²	121.6	68%	0.675	60%	0.6	S	S	*	*	H	α-helix	trans	-58.3	-43	174	174.3	-95.9	0	0	0	111.2	D114 K115 F116	F112-D114 PolarHBondContact O-N 3.47Å; F112-K115 PolarHBondContact O-N 3.46Å; F112-F116 HydrophobicContact CE1-CB 4.45Å; F112-F116 WeakPolarHBondContact O-CB 3.36Å; F112-F116 PolarHBondContact O-N 3.41Å
113	L	85.8	Confident	79.9	Confident	96 Å²	96	123.3 Å²	123.3	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-64.2	-43.1	-178.4	-168.6	69.5	0	0	0	111.4	D111 K115 F116 L117	D111-L113 VanDerWaalsContact C-N 3.29Å; D111-L113 PolarHBondContact O-N 3.45Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-K115 PolarHBondContact O-N 3.49Å; L113-F116 PolarHBondContact O-N 2.84Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.39Å; L113-L117 WeakPolarHBondContact O-CB 2.98Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.27Å
114	D	85.2	Confident	79.9	Confident	86 Å²	86	124.9 Å²	124.9	46%	0.46	62%	0.616	S	S	.	*	H	α-helix	trans	-62.9	-40	176.3	-66	-22.4	0	0	0	111.8	P109 D111 F112 S118	P109-D114 HydrophobicContact CB-CB 3.47Å; P109-D114 VanDerWaalsContact CB-CB 3.47Å; D111-D114 PolarHBondContact O-N 3.44Å; F112-D114 PolarHBondContact O-N 3.47Å; D114-S118 VanDerWaalsContact O-CB 3.27Å; D114-S118 WeakPolarHBondContact O-CB 3.26Å; D114-S118 PolarHBondContact O-N 2.86Å; D114-S118 PolarHBondContact O-OG 3.22Å
115	K	85	Confident	79.9	Confident	103 Å²	103	123.4 Å²	123.4	45%	0.448	62%	0.617	S	S	.	*	H	α-helix	trans	-63.1	-47.3	174.9	-74.7	174.3	-171.8	175	0	110.9	P109 D111 F112 L113 S118 G119	P109-K115 HydrophobicContact CB-CG 3.85Å; P109-K115 HydrophobicContact CG-CB 4.5Å; P109-K115 HydrophobicContact CG-CG 3.72Å; P109-K115 WeakPolarHBondContact O-CE 3.27Å; D111-K115 WeakPolarHBondContact O-CG 3.39Å; D111-K115 PolarHBondContact O-N 3.17Å; D111-K115 VanDerWaalsContact O-N 3.1Å; F112-K115 PolarHBondContact O-N 3.46Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-K115 PolarHBondContact O-N 3.49Å; K115-S118 PolarHBondContact O-N 2.73Å; K115-S118 PolarHBondContact O-OG 3.25Å; K115-G119 PolarHBondContact O-N 2.91Å
116	F	85.5	Confident	80	Confident	141 Å²	141	123.8 Å²	123.8	62%	0.618	63%	0.628	S	S	*	*	H	α-helix	trans	-58.8	-49.2	178.1	-179.7	-99.2	0	0	0	111.4	F112 L113 S118 G119	F112-F116 HydrophobicContact CE1-CB 4.45Å; F112-F116 WeakPolarHBondContact O-CB 3.36Å; F112-F116 PolarHBondContact O-N 3.41Å; L113-F116 PolarHBondContact O-N 2.84Å; F116-S118 VanDerWaalsContact C-N 3.3Å; F116-S118 PolarHBondContact O-N 3.23Å; F116-G119 PolarHBondContact O-N 3.16Å; F116-G119 VanDerWaalsContact O-N 3.15Å
117	L	86.5	Confident	80	Confident	127 Å²	127	124.1 Å²	124.1	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-66.3	-30.4	178.1	-68.5	174.2	0	0	0	112.8	L113 G119	L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 HydrophobicContact CG-CG 4.39Å; L113-L117 WeakPolarHBondContact O-CB 2.98Å; L113-L117 VanDerWaalsContact O-CG 3.26Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.27Å; L117-G119 PolarHBondContact O-N 3.41Å
118	S	84.3	Confident	80.3	Confident	56 Å²	56	122.1 Å²	122.1	39%	0.392	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.4	-6.1	175.6	77.6	0	0	0	0	114.1	D114 K115 F116 K120	D114-S118 VanDerWaalsContact O-CB 3.27Å; D114-S118 WeakPolarHBondContact O-CB 3.26Å; D114-S118 PolarHBondContact O-N 2.86Å; D114-S118 PolarHBondContact O-OG 3.22Å; K115-S118 PolarHBondContact O-N 2.73Å; K115-S118 PolarHBondContact O-OG 3.25Å; F116-S118 VanDerWaalsContact C-N 3.3Å; F116-S118 PolarHBondContact O-N 3.23Å; S118-K120 PolarHBondContact O-N 3.15Å; S118-K120 VanDerWaalsContact O-N 3.16Å
119	G	77.6	Confident	80.3	Confident	68 Å²	68	120.7 Å²	120.7	70%	0.701	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.7	10.5	178.6	0	0	0	0	0	114.3	K115 F116 L117	K115-G119 PolarHBondContact O-N 2.91Å; F116-G119 PolarHBondContact O-N 3.16Å; F116-G119 VanDerWaalsContact O-N 3.15Å; L117-G119 PolarHBondContact O-N 3.41Å
120	K	65.2	Low	80.3	Confident	169 Å²	169	126.8 Å²	126.8	74%	0.735	64%	0.637	S	S	*	*			trans	-98.3	102.8	177.5	-64.9	-172.3	-179.4	-178.5	0	108.6	S118	S118-K120 PolarHBondContact O-N 3.15Å; S118-K120 VanDerWaalsContact O-N 3.16Å
121	Q	56.1	Low	80.2	Confident	268 Å²	268	123.8 Å²	123.8	100%	1.252	63%	0.632	S	S	*	*			trans	-66.7	0	166.1	-76.1	-173.3	-22.8	0	0	110.8

Retrieved 121 of 121 residues in 226.1 ms (Link to these results)

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