A0A087YM18_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. 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 A0A087YM18, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 101 aa.

						>A0A087YM18_POEFO|A0A087YM18
KMAAAAARSLSSNLAKNLREIRLHLCQSSAASQGARDFVEQNYVGLKKANPDLPILIRECSGVQARLWARYDFGKERSVSVDNMSAEQVAATLKTLAQSTH
					

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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	K	37.4	Very low	45.5	Very low	260 Å²	260	87.1 Å²	87.1	100%	1.13	48%	0.483	S	S	*	.				0	0.7	0	-77.4	-178.8	176.4	174.2	0	114.4
2	M	37.3	Very low	46.8	Very low	162 Å²	162	86.2 Å²	86.2	80%	0.798	49%	0.487	S	S	*	.			trans	-89.4	-34.1	-179.8	-66.7	-66.8	-165.1	0	0	114.6	A4 A5 A6	M2-A4 PolarHBondContact O-N 3.48Å; M2-A5 PolarHBondContact O-N 3.01Å; M2-A5 VanDerWaalsContact O-N 3.07Å; M2-A6 PolarHBondContact O-N 3.1Å
3	A	38.9	Very low	48.1	Very low	61 Å²	61	86.8 Å²	86.8	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-58	-41.4	-176.6	0	0	0	0	0	114	A5 A7	A3-A5 VanDerWaalsContact C-N 3.3Å; A3-A5 PolarHBondContact O-N 3Å; A3-A7 PolarHBondContact O-N 3.35Å
4	A	40.6	Very low	49.6	Very low	58 Å²	58	81.4 Å²	81.4	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-69.3	-24.8	178.6	0	0	0	0	0	113.5	M2 R8	M2-A4 PolarHBondContact O-N 3.48Å; A4-R8 VanDerWaalsContact O-CB 3.24Å; A4-R8 WeakPolarHBondContact O-CB 3.44Å; A4-R8 WeakPolarHBondContact O-CG 3.39Å; A4-R8 PolarHBondContact O-N 3.5Å
5	A	43.3	Very low	50.4	Low	57 Å²	57	77.5 Å²	77.5	47%	0.471	44%	0.44	S	S	.	.	H	α-helix	trans	-78.3	-38.8	-179.5	0	0	0	0	0	111.9	M2 A3 S9	M2-A5 PolarHBondContact O-N 3.01Å; M2-A5 VanDerWaalsContact O-N 3.07Å; A3-A5 VanDerWaalsContact C-N 3.3Å; A3-A5 PolarHBondContact O-N 3Å; A5-S9 WeakPolarHBondContact O-CB 3.31Å; A5-S9 PolarHBondContact O-N 3.48Å; A5-S9 PolarHBondContact O-OG 3.04Å
6	A	47.4	Very low	51.7	Low	29 Å²	29	82.3 Å²	82.3	24%	0.24	45%	0.454	C	S	.	.	H	α-helix	trans	-65.1	-48.9	174.5	0	0	0	0	0	111.1	M2 S9 L10	M2-A6 PolarHBondContact O-N 3.1Å; A6-S9 PolarHBondContact O-N 3.23Å; A6-S9 PolarHBondContact O-OG 3.26Å; A6-L10 WeakPolarHBondContact O-CG 3.24Å; A6-L10 PolarHBondContact O-N 3.32Å
7	A	46	Very low	53.1	Low	30 Å²	30	80.8 Å²	80.8	25%	0.248	45%	0.445	C	S	.	.	H	α-helix	trans	-63.6	-40.1	177.5	0	0	0	0	0	113.5	A3 S9 L10 S11	A3-A7 PolarHBondContact O-N 3.35Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 2.94Å; A7-L10 PolarHBondContact O-N 2.73Å; A7-S11 PolarHBondContact O-N 2.87Å; A7-S11 PolarHBondContact O-OG 3.37Å
8	R	48.8	Very low	54.8	Low	202 Å²	202	76.4 Å²	76.4	76%	0.762	42%	0.421	S	S	*	.	H	α-helix	trans	-64.8	-36.2	172.4	-84.8	177.8	175.1	164.2	-0.6	112.6	A4 L10 S11	A4-R8 VanDerWaalsContact O-CB 3.24Å; A4-R8 WeakPolarHBondContact O-CB 3.44Å; A4-R8 WeakPolarHBondContact O-CG 3.39Å; A4-R8 PolarHBondContact O-N 3.5Å; R8-L10 VanDerWaalsContact C-N 3.35Å; R8-S11 VanDerWaalsContact O-CB 3.27Å; R8-S11 WeakPolarHBondContact O-CB 3.46Å; R8-S11 PolarHBondContact O-N 3.02Å; R8-S11 VanDerWaalsContact O-N 3.17Å
9	S	49.6	Very low	56.6	Low	28 Å²	28	77.9 Å²	77.9	20%	0.196	42%	0.42	C	S	.	.	H	α-helix	trans	-72.4	-28.3	175.6	68.8	0	0	0	0	113.3	A5 A6 A7 S11 S12 K94	A5-S9 WeakPolarHBondContact O-CB 3.31Å; A5-S9 PolarHBondContact O-N 3.48Å; A5-S9 PolarHBondContact O-OG 3.04Å; A6-S9 PolarHBondContact O-N 3.23Å; A6-S9 PolarHBondContact O-OG 3.26Å; A7-S9 VanDerWaalsContact C-N 3.34Å; A7-S9 PolarHBondContact O-N 2.94Å; S9-S11 PolarHBondContact O-N 3.14Å; S9-S12 WeakPolarHBondContact O-CB 3.24Å; S9-S12 PolarHBondContact O-N 3.07Å; S9-S12 PolarHBondContact O-OG 3.08Å; S9-K94 WeakPolarHBondContact OG-CD 3.03Å; S9-K94 WeakPolarHBondContact OG-CE 3.42Å; S9-K94 PolarHBondContact OG-NZ 3.26Å
10	L	56.3	Low	58.3	Low	6 Å²	6	75.6 Å²	75.6	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-71.9	-12.5	169.4	-72.7	167.8	0	0	0	113.1	A6 A7 R8 S12 L14 F38 L46 A90 L93	A6-L10 WeakPolarHBondContact O-CG 3.24Å; A6-L10 PolarHBondContact O-N 3.32Å; A7-L10 PolarHBondContact O-N 2.73Å; R8-L10 VanDerWaalsContact C-N 3.35Å; L10-S12 VanDerWaalsContact C-N 3.25Å; L10-L14 HydrophobicContact CD2-CD1 4.35Å; L10-L14 HydrophobicContact CD2-CD2 4.45Å; L10-L14 WeakPolarHBondContact O-CD1 3.38Å; L10-F38 HydrophobicContact CD1-CE2 4.33Å; L10-L46 HydrophobicContact CB-CD2 3.98Å; L10-L46 HydrophobicContact CB-CG 4.37Å; L10-L46 HydrophobicContact CD2-CD2 4.27Å; L10-A90 HydrophobicContact CD1-CB 3.87Å; L10-L93 HydrophobicContact CD2-CB 4.3Å; L10-L93 HydrophobicContact CD2-CD2 3.68Å; L10-L93 HydrophobicContact CD2-CG 3.82Å
11	S	54.7	Low	59.8	Low	65 Å²	65	72.1 Å²	72.1	46%	0.455	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-4.5	170.8	-49.8	0	0	0	0	112.6	A7 R8 S9	A7-S11 PolarHBondContact O-N 2.87Å; A7-S11 PolarHBondContact O-OG 3.37Å; R8-S11 VanDerWaalsContact O-CB 3.27Å; R8-S11 WeakPolarHBondContact O-CB 3.46Å; R8-S11 PolarHBondContact O-N 3.02Å; R8-S11 VanDerWaalsContact O-N 3.17Å; S9-S11 PolarHBondContact O-N 3.14Å
12	S	61.3	Low	62.5	Low	76 Å²	76	61.6 Å²	61.6	53%	0.531	34%	0.341	S	S	.	.	S	Bend	trans	-79.2	146.1	169.7	71.6	0	0	0	0	110.1	S9 L10 L14	S9-S12 WeakPolarHBondContact O-CB 3.24Å; S9-S12 PolarHBondContact O-N 3.07Å; S9-S12 PolarHBondContact O-OG 3.08Å; L10-S12 VanDerWaalsContact C-N 3.25Å; S12-L14 PolarHBondContact O-N 3.31Å
13	N	64.4	Low	65.1	Low	95 Å²	95	54.2 Å²	54.2	51%	0.508	30%	0.304	S	S	.	.			trans	-57.9	97.1	-171.4	-169.1	-24.6	0	0	0	112	A15 N50	N13-A15 PolarHBondContact O-N 3.33Å; N13-A15 VanDerWaalsContact OD1-CB 3.3Å; N13-A15 WeakPolarHBondContact OD1-CB 3.48Å; N13-A15 PolarHBondContact OD1-N 3.32Å; N13-A15 VanDerWaalsContact OD1-N 3.12Å; N13-N50 WeakPolarHBondContact CA-OD1 3.39Å
14	L	68	Low	67.7	Low	10 Å²	10	53.7 Å²	53.7	5%	0.052	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-71.1	-21.2	178.2	-80.7	135.1	0	0	0	111.9	L10 S12 K16 L18 L46 N50 L53 A97	L10-L14 HydrophobicContact CD2-CD1 4.35Å; L10-L14 HydrophobicContact CD2-CD2 4.45Å; L10-L14 WeakPolarHBondContact O-CD1 3.38Å; S12-L14 PolarHBondContact O-N 3.31Å; L14-K16 PolarHBondContact O-N 3.07Å; L14-L18 HydrophobicContact CD2-CD1 4.02Å; L14-L18 PolarHBondContact O-N 3.38Å; L14-L46 HydrophobicContact CD1-CD2 3.57Å; L14-N50 WeakPolarHBondContact CD1-ND2 3.28Å; L14-N50 PolarHBondContact N-OD1 2.98Å; L14-L53 HydrophobicContact CB-CD2 3.76Å; L14-A97 HydrophobicContact CD2-CB 3.23Å; L14-A97 HydrophobicContact CG-CB 4.34Å
15	A	61.7	Low	70.2	Confident	23 Å²	23	51 Å²	51	19%	0.19	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-73.6	-5.8	-174.5	0	0	0	0	0	114.2	N13 N17 L53	N13-A15 PolarHBondContact O-N 3.33Å; N13-A15 VanDerWaalsContact OD1-CB 3.3Å; N13-A15 WeakPolarHBondContact OD1-CB 3.48Å; N13-A15 PolarHBondContact OD1-N 3.32Å; N13-A15 VanDerWaalsContact OD1-N 3.12Å; A15-N17 VanDerWaalsContact C-N 3.35Å; A15-L53 HydrophobicContact CB-CB 4.33Å
16	K	71.4	Confident	72.5	Confident	155 Å²	155	48.4 Å²	48.4	67%	0.674	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-63.9	-40.1	177	-71.3	-171.3	177.5	-175.3	0	112.5	L14	L14-K16 PolarHBondContact O-N 3.07Å
17	N	76.3	Confident	74.4	Confident	56 Å²	56	50.9 Å²	50.9	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-23.1	-174.4	-59.2	-25.5	0	0	0	113	A15 Y71 A97	A15-N17 VanDerWaalsContact C-N 3.35Å; N17-Y71 WeakPolarHBondContact O-CD1 3.27Å; N17-A97 PolarHBondContact ND2-O 3.47Å
18	L	83.6	Confident	76.4	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.273	C	S	.	.			trans	-100.1	135	-179.1	-72.1	161.6	0	0	0	110.6	L14 I21 L53 A69 Y71 A97	L14-L18 HydrophobicContact CD2-CD1 4.02Å; L14-L18 PolarHBondContact O-N 3.38Å; L18-I21 HydrophobicContact CD1-CD1 4.2Å; L18-I21 HydrophobicContact CD1-CG1 4.24Å; L18-L53 HydrophobicContact CB-CD1 4.13Å; L18-L53 WeakPolarHBondContact O-CD1 3.44Å; L18-A69 HydrophobicContact CD2-CB 3.57Å; L18-Y71 HydrophobicContact CD2-CD1 3.89Å; L18-Y71 HydrophobicContact CD2-CE1 3.51Å; L18-Y71 HydrophobicContact CG-CE1 4.21Å; L18-A97 HydrophobicContact CD1-CB 4.02Å
19	R	88.4	Confident	78.3	Confident	106 Å²	106	46.4 Å²	46.4	40%	0.4	25%	0.252	S	S	.	.	S	Bend	trans	-94.2	-28.4	171.8	-65.5	-62.4	176.4	-126.1	-5.2	112.6	P54 R70 D72	R19-P54 WeakPolarHBondContact O-CD 3.36Å; R19-R70 PolarHBondContact N-O 3.36Å; R19-D72 IonicContact CZ-OD1 3.93Å; R19-D72 IonicContact CZ-OD2 3.63Å; R19-D72 IonicContact NE-OD1 2.97Å; R19-D72 PolarHBondContact NE-OD1 2.9Å; R19-D72 IonicContact NE-OD2 2.89Å; R19-D72 IonicContact NH2-OD1 2.79Å; R19-D72 PolarHBondContact NH2-OD1 3.3Å; R19-D72 IonicContact NH2-OD2 3.41Å; R19-D72 PolarHBondContact NH2-OD2 3.43Å
20	E	89.8	Confident	80.1	Confident	30 Å²	30	49.1 Å²	49.1	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	145.7	-179	170.4	-175	154.3	0	0	111	R22 P54 L56 R70	E20-R22 HydrophobicContact CG-CG 4.01Å; E20-R22 WeakPolarHBondContact OE1-CD 3.41Å; E20-R22 WeakPolarHBondContact OE1-CG 3.3Å; E20-R22 IonicContact OE1-CZ 2.75Å; E20-R22 IonicContact OE1-NE 2.67Å; E20-R22 IonicContact OE1-NH1 3.87Å; E20-R22 PolarHBondContact OE1-NH1 3.08Å; E20-R22 IonicContact OE2-NH1 2.87Å; E20-P54 HydrophobicContact CG-CB 4.49Å; E20-L56 HydrophobicContact CG-CD1 4.37Å; E20-R70 HydrophobicContact CB-CB 4.07Å; E20-R70 PolarHBondContact N-O 2.98Å; E20-R70 PolarHBondContact O-N 3.29Å; E20-R70 IonicContact OE2-CZ 3.58Å; E20-R70 IonicContact OE2-NE 3.08Å
21	I	91.3	Very high	81.5	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.4	168.7	-63.5	160.4	0	0	0	108.3	L18 L53 P54 L56 L67 W68 L93	L18-I21 HydrophobicContact CD1-CD1 4.2Å; L18-I21 HydrophobicContact CD1-CG1 4.24Å; I21-L53 HydrophobicContact CD1-CD2 3.63Å; I21-L53 HydrophobicContact CD1-CG 4.46Å; I21-L53 HydrophobicContact CG1-CD2 4.41Å; I21-P54 PolarHBondContact N-O 3.28Å; I21-L56 PolarHBondContact O-N 3.47Å; I21-L67 HydrophobicContact CG2-CD1 3.69Å; I21-W68 CarbonylContact C-O 3.56Å; I21-W68 WeakPolarHBondContact CA-O 3.48Å; I21-L93 HydrophobicContact CD1-CD1 3.75Å; I21-L93 HydrophobicContact CG1-CD1 4.23Å; I21-L93 HydrophobicContact CG2-CD1 4.21Å
22	R	93.4	Very high	83.1	Confident	39 Å²	39	46.4 Å²	46.4	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.8	169.9	-44.2	178.9	-82.1	-95.3	5.6	111.1	E20 L56 W68 E76	E20-R22 HydrophobicContact CG-CG 4.01Å; E20-R22 WeakPolarHBondContact OE1-CD 3.41Å; E20-R22 WeakPolarHBondContact OE1-CG 3.3Å; E20-R22 IonicContact OE1-CZ 2.75Å; E20-R22 IonicContact OE1-NE 2.67Å; E20-R22 IonicContact OE1-NH1 3.87Å; E20-R22 PolarHBondContact OE1-NH1 3.08Å; E20-R22 IonicContact OE2-NH1 2.87Å; R22-L56 CarbonylContact C-O 3.56Å; R22-L56 VanDerWaalsContact CA-O 3.27Å; R22-L56 WeakPolarHBondContact CA-O 3.42Å; R22-L56 HydrophobicContact CB-CB 4.39Å; R22-L56 HydrophobicContact CG-CB 4.15Å; R22-L56 HydrophobicContact CG-CD1 4.16Å; R22-W68 HydrophobicContact CB-CB 3.99Å; R22-W68 HydrophobicContact CG-CB 4.5Å; R22-W68 PolarHBondContact N-O 2.94Å; R22-W68 PolarHBondContact O-N 3.14Å; R22-E76 IonicContact CZ-OE1 3.5Å; R22-E76 IonicContact CZ-OE2 3.94Å; R22-E76 IonicContact NH1-OE1 2.73Å; R22-E76 PolarHBondContact NH1-OE1 3.25Å; R22-E76 IonicContact NH2-OE1 3.54Å; R22-E76 PolarHBondContact NH2-OE1 3.04Å; R22-E76 IonicContact NH2-OE2 3.76Å; R22-E76 PolarHBondContact NH2-OE2 3.17Å
23	L	92.8	Very high	84.4	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.3	172.9	-179.6	63.1	0	0	0	109	L25 F38 V39 L56 R58 L67 V81	L23-L25 HydrophobicContact CD2-CD2 4.12Å; L23-L25 HydrophobicContact CG-CD2 4.01Å; L23-F38 HydrophobicContact CD2-CD1 4.33Å; L23-V39 HydrophobicContact CD2-CG2 3.48Å; L23-V39 VanDerWaalsContact CD2-CG2 3.48Å; L23-L56 PolarHBondContact N-O 3.33Å; L23-R58 PolarHBondContact O-N 3.47Å; L23-L67 HydrophobicContact CB-CD1 4.28Å; L23-L67 HydrophobicContact CD1-CB 4.48Å; L23-L67 HydrophobicContact CD1-CD1 4.13Å; L23-V81 HydrophobicContact CD1-CG2 4.24Å
24	H	93.3	Very high	85.6	Confident	51 Å²	51	42.6 Å²	42.6	24%	0.236	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.2	169.2	-64.7	73.7	0	0	0	108.5	R58 A65 R66 W68	H24-R58 VanDerWaalsContact CA-O 3.28Å; H24-R58 WeakPolarHBondContact CA-O 3.42Å; H24-A65 CarbonylContact O-C 3.56Å; H24-A65 VanDerWaalsContact O-CA 3.28Å; H24-A65 WeakPolarHBondContact O-CA 3.41Å; H24-R66 PolarHBondContact N-O 3.28Å; H24-R66 PolarHBondContact O-N 3.42Å; H24-W68 AromaticContact CE1-CD1 3.77Å; H24-W68 AromaticContact CE1-NE1 3.8Å; H24-W68 AromaticContact ND1-CD1 3.33Å; H24-W68 VanDerWaalsContact ND1-CD1 3.33Å; H24-W68 AromaticContact ND1-NE1 3.44Å; H24-W68 PolarHBondContact ND1-NE1 3.17Å
25	L	91.9	Very high	86.6	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.4	176.9	65.4	137.7	0	0	0	111.3	L23 A35 R36 I57 R58 E59 C60	L23-L25 HydrophobicContact CD2-CD2 4.12Å; L23-L25 HydrophobicContact CG-CD2 4.01Å; L25-A35 HydrophobicContact CB-CB 4.22Å; L25-R36 HydrophobicContact CD1-CB 4.45Å; L25-R36 HydrophobicContact CD1-CG 3.37Å; L25-I57 HydrophobicContact CD2-CG2 3.51Å; L25-R58 PolarHBondContact N-O 3.43Å; L25-E59 HydrophobicContact CD1-CG 4.28Å; L25-E59 HydrophobicContact CD2-CG 4.16Å; L25-E59 HydrophobicContact CG-CG 4.09Å; L25-E59 CarbonylContact O-C 3.52Å; L25-E59 VanDerWaalsContact O-CA 3.3Å; L25-E59 WeakPolarHBondContact O-CA 3.39Å; L25-C60 PolarHBondContact O-N 3.4Å
26	C	92.1	Very high	88	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.014	23%	0.229	C	C	.	.			trans	-96.2	140.1	170.9	-178.5	0	0	0	0	110.9	S28 S29 S32 C60	C26-S28 VanDerWaalsContact C-N 3.35Å; C26-S29 VanDerWaalsContact SG-CB 3.57Å; C26-S29 PolarHBondContact SG-N 3.2Å; C26-S29 VanDerWaalsContact SG-N 3.42Å; C26-S32 WeakPolarHBondContact CB-OG 3.39Å; C26-S32 PolarHBondContact N-OG 3.04Å; C26-S32 WeakPolarHBondContact O-CB 3.31Å; C26-C60 VanDerWaalsContact CA-O 3.31Å; C26-C60 WeakPolarHBondContact CA-O 2.96Å
27	Q	87.9	Confident	88.9	Confident	80 Å²	80	38.4 Å²	38.4	37%	0.374	21%	0.209	S	C	.	.	S	Bend	trans	-71.2	-28.7	-178.5	-59.8	90.9	-16.1	0	0	113.3	R36 E59	Q27-R36 PolarHBondContact O-NH1 3.1Å; Q27-E59 HydrophobicContact CG-CB 3.98Å
28	S	88.3	Confident	89.6	Confident	93 Å²	93	36.3 Å²	36.3	65%	0.65	20%	0.198	S	C	*	.	S	Bend	trans	-121.5	-20.1	-169.2	57.3	0	0	0	0	114.4	C26 A30	C26-S28 VanDerWaalsContact C-N 3.35Å; S28-A30 PolarHBondContact O-N 3.04Å
29	S	87.8	Confident	89.9	Confident	45 Å²	45	37.5 Å²	37.5	32%	0.315	21%	0.205	S	C	.	.			trans	-68.8	134.4	-177.1	-176.8	0	0	0	0	111.7	C26 A31 S32 R36	C26-S29 VanDerWaalsContact SG-CB 3.57Å; C26-S29 PolarHBondContact SG-N 3.2Å; C26-S29 VanDerWaalsContact SG-N 3.42Å; S29-A31 PolarHBondContact O-N 3.29Å; S29-A31 PolarHBondContact OG-N 2.83Å; S29-S32 PolarHBondContact O-N 3.49Å; S29-S32 VanDerWaalsContact O-N 3.14Å; S29-R36 PolarHBondContact O-NH2 3.12Å
30	A	86.6	Confident	90	Very high	86 Å²	86	39.5 Å²	39.5	71%	0.711	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-59.2	-35.3	174.2	0	0	0	0	0	111.8	S28 S32 Q33	S28-A30 PolarHBondContact O-N 3.04Å; A30-S32 PolarHBondContact O-N 3.28Å; A30-Q33 VanDerWaalsContact O-CB 3.24Å; A30-Q33 WeakPolarHBondContact O-CB 3.27Å; A30-Q33 PolarHBondContact O-N 3.18Å; A30-Q33 VanDerWaalsContact O-N 3.08Å
31	A	86.3	Confident	89.9	Confident	13 Å²	13	44.8 Å²	44.8	11%	0.107	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-66.1	-25.3	179.9	0	0	0	0	0	113.1	S29 D82 N83	S29-A31 PolarHBondContact O-N 3.29Å; S29-A31 PolarHBondContact OG-N 2.83Å; A31-D82 WeakPolarHBondContact CB-OD1 3.31Å; A31-N83 VanDerWaalsContact CA-OD1 3.28Å; A31-N83 WeakPolarHBondContact CA-OD1 3.44Å; A31-N83 VanDerWaalsContact CB-OD1 3.28Å; A31-N83 WeakPolarHBondContact CB-OD1 3.5Å; A31-N83 WeakPolarHBondContact O-CA 3.34Å; A31-N83 PolarHBondContact O-N 3.39Å
32	S	87.9	Confident	89.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-93.5	6.2	175.7	-61.5	0	0	0	0	113.8	C26 S29 A30 G34 A35 R36	C26-S32 WeakPolarHBondContact CB-OG 3.39Å; C26-S32 PolarHBondContact N-OG 3.04Å; C26-S32 WeakPolarHBondContact O-CB 3.31Å; S29-S32 PolarHBondContact O-N 3.49Å; S29-S32 VanDerWaalsContact O-N 3.14Å; A30-S32 PolarHBondContact O-N 3.28Å; S32-G34 PolarHBondContact O-N 3.23Å; S32-A35 PolarHBondContact O-N 3.4Å; S32-R36 PolarHBondContact O-N 3.03Å
33	Q	89.6	Confident	89.3	Confident	82 Å²	82	48 Å²	48	38%	0.383	26%	0.258	S	S	.	.	H	α-helix	trans	-58.6	-49.2	-177.8	-174	66.3	48.9	0	0	111.9	A30 A35 R36 D37	A30-Q33 VanDerWaalsContact O-CB 3.24Å; A30-Q33 WeakPolarHBondContact O-CB 3.27Å; A30-Q33 PolarHBondContact O-N 3.18Å; A30-Q33 VanDerWaalsContact O-N 3.08Å; Q33-A35 VanDerWaalsContact C-N 3.25Å; Q33-A35 PolarHBondContact O-N 3.02Å; Q33-R36 WeakPolarHBondContact O-CB 3.35Å; Q33-R36 PolarHBondContact O-N 2.97Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.24Å; Q33-D37 PolarHBondContact NE2-OD1 2.79Å; Q33-D37 VanDerWaalsContact O-CG 3.29Å; Q33-D37 PolarHBondContact O-N 3.37Å
34	G	88.9	Confident	89	Confident	8 Å²	8	51.8 Å²	51.8	8%	0.082	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-26.4	-178.9	0	0	0	0	0	114.2	S32 F38 M84 A86	S32-G34 PolarHBondContact O-N 3.23Å; G34-F38 WeakPolarHBondContact O-CB 3.48Å; G34-F38 PolarHBondContact O-N 3.41Å; G34-M84 WeakPolarHBondContact CA-O 3.43Å; G34-A86 WeakPolarHBondContact O-CA 3.43Å
35	A	89.6	Confident	88.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-71.3	-36.7	172.6	0	0	0	0	0	112.1	L25 S32 Q33 V39 A65	L25-A35 HydrophobicContact CB-CB 4.22Å; S32-A35 PolarHBondContact O-N 3.4Å; Q33-A35 VanDerWaalsContact C-N 3.25Å; Q33-A35 PolarHBondContact O-N 3.02Å; A35-V39 WeakPolarHBondContact O-CG2 3.28Å; A35-V39 PolarHBondContact O-N 2.84Å; A35-V39 VanDerWaalsContact O-N 3.14Å; A35-A65 HydrophobicContact CB-CB 4.27Å
36	R	90.9	Very high	88.3	Confident	51 Å²	51	51.5 Å²	51.5	19%	0.192	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-50.8	173.3	-73.5	-179.7	-79.8	158.7	4.4	110.8	L25 Q27 S29 S32 Q33 F38 V39 E40	L25-R36 HydrophobicContact CD1-CB 4.45Å; L25-R36 HydrophobicContact CD1-CG 3.37Å; Q27-R36 PolarHBondContact O-NH1 3.1Å; S29-R36 PolarHBondContact O-NH2 3.12Å; S32-R36 PolarHBondContact O-N 3.03Å; Q33-R36 WeakPolarHBondContact O-CB 3.35Å; Q33-R36 PolarHBondContact O-N 2.97Å; Q33-R36 VanDerWaalsContact OE1-CZ 3.24Å; R36-F38 PolarHBondContact O-N 3.02Å; R36-V39 WeakPolarHBondContact O-CB 3.32Å; R36-V39 PolarHBondContact O-N 2.95Å; R36-E40 PolarHBondContact O-N 2.89Å
37	D	90.8	Very high	87.9	Confident	48 Å²	48	54.9 Å²	54.9	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-38.3	178.5	-57.1	-13.4	0	0	0	111.4	Q33 E40 Q41 A86	Q33-D37 PolarHBondContact NE2-OD1 2.79Å; Q33-D37 VanDerWaalsContact O-CG 3.29Å; Q33-D37 PolarHBondContact O-N 3.37Å; D37-E40 PolarHBondContact O-N 3.06Å; D37-Q41 WeakPolarHBondContact O-CB 3.28Å; D37-Q41 VanDerWaalsContact O-CG 3.31Å; D37-Q41 WeakPolarHBondContact O-CG 3.43Å; D37-Q41 PolarHBondContact O-N 3.43Å; D37-Q41 VanDerWaalsContact O-N 3.1Å; D37-A86 HydrophobicContact CB-CB 4.11Å
38	F	90.4	Very high	87.8	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.057	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-45	175	171.1	-97.8	0	0	0	112.3	L10 L23 G34 R36 N42 L46 A86 V89 A90 L93	L10-F38 HydrophobicContact CD1-CE2 4.33Å; L23-F38 HydrophobicContact CD2-CD1 4.33Å; G34-F38 WeakPolarHBondContact O-CB 3.48Å; G34-F38 PolarHBondContact O-N 3.41Å; R36-F38 PolarHBondContact O-N 3.02Å; F38-N42 HydrophobicContact CD2-CB 4.12Å; F38-N42 WeakPolarHBondContact CD2-ND2 3.48Å; F38-N42 HydrophobicContact CE2-CB 3.87Å; F38-N42 HydrophobicContact CZ-CB 4.3Å; F38-N42 VanDerWaalsContact O-CB 3.31Å; F38-N42 WeakPolarHBondContact O-CB 3.15Å; F38-N42 PolarHBondContact O-N 3.48Å; F38-N42 PolarHBondContact O-ND2 3.39Å; F38-L46 HydrophobicContact CE1-CD1 4.27Å; F38-L46 HydrophobicContact CE2-CD1 4.33Å; F38-L46 HydrophobicContact CZ-CD1 3.59Å; F38-A86 HydrophobicContact CB-CB 4Å; F38-V89 HydrophobicContact CB-CB 4.32Å; F38-V89 HydrophobicContact CB-CG1 4.12Å; F38-V89 HydrophobicContact CD1-CG1 3.77Å; F38-V89 HydrophobicContact CD2-CB 4.33Å; F38-V89 HydrophobicContact CD2-CG1 4.07Å; F38-V89 HydrophobicContact CE1-CG1 4.2Å; F38-V89 HydrophobicContact CE2-CG1 4.47Å; F38-V89 HydrophobicContact CG-CB 4.21Å; F38-V89 HydrophobicContact CG-CG1 3.7Å; F38-A90 HydrophobicContact CD2-CB 4.04Å; F38-A90 HydrophobicContact CE2-CB 3.72Å; F38-L93 HydrophobicContact CZ-CD2 3.81Å
39	V	89.8	Confident	87.6	Confident	26 Å²	26	56.5 Å²	56.5	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-49.9	177.9	166.7	0	0	0	0	110.2	L23 A35 R36 Q41 Y43 I57	L23-V39 HydrophobicContact CD2-CG2 3.48Å; L23-V39 VanDerWaalsContact CD2-CG2 3.48Å; A35-V39 WeakPolarHBondContact O-CG2 3.28Å; A35-V39 PolarHBondContact O-N 2.84Å; A35-V39 VanDerWaalsContact O-N 3.14Å; R36-V39 WeakPolarHBondContact O-CB 3.32Å; R36-V39 PolarHBondContact O-N 2.95Å; V39-Q41 VanDerWaalsContact C-N 3.33Å; V39-Q41 PolarHBondContact O-N 2.98Å; V39-Y43 WeakPolarHBondContact O-CB 3.33Å; V39-Y43 PolarHBondContact O-N 2.98Å; V39-Y43 VanDerWaalsContact O-N 3.08Å; V39-I57 HydrophobicContact CB-CD1 4.35Å; V39-I57 HydrophobicContact CG1-CD1 3.53Å; V39-I57 HydrophobicContact CG2-CD1 3.87Å; V39-I57 HydrophobicContact CG2-CG1 4.47Å
40	E	89.8	Confident	87.4	Confident	149 Å²	149	54.5 Å²	54.5	70%	0.696	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-42.4	-177.8	-70	179.6	-179	0	0	112.6	R36 D37	R36-E40 PolarHBondContact O-N 2.89Å; D37-E40 PolarHBondContact O-N 3.06Å
41	Q	88.7	Confident	87.2	Confident	141 Å²	141	54.4 Å²	54.4	66%	0.659	28%	0.284	S	S	*	.	H	α-helix	trans	-85	-36.3	-174.1	-64.6	174.8	14.3	0	0	113.5	D37 V39	D37-Q41 WeakPolarHBondContact O-CB 3.28Å; D37-Q41 VanDerWaalsContact O-CG 3.31Å; D37-Q41 WeakPolarHBondContact O-CG 3.43Å; D37-Q41 PolarHBondContact O-N 3.43Å; D37-Q41 VanDerWaalsContact O-N 3.1Å; V39-Q41 VanDerWaalsContact C-N 3.33Å; V39-Q41 PolarHBondContact O-N 2.98Å
42	N	85.4	Confident	87.1	Confident	31 Å²	31	60.7 Å²	60.7	17%	0.166	32%	0.316	C	S	.	.	H	α-helix	trans	-113.4	-20.5	-165.7	-58.8	-75.9	0	0	0	114.4	F38 V44 G45 L46	F38-N42 HydrophobicContact CD2-CB 4.12Å; F38-N42 WeakPolarHBondContact CD2-ND2 3.48Å; F38-N42 HydrophobicContact CE2-CB 3.87Å; F38-N42 HydrophobicContact CZ-CB 4.3Å; F38-N42 VanDerWaalsContact O-CB 3.31Å; F38-N42 WeakPolarHBondContact O-CB 3.15Å; F38-N42 PolarHBondContact O-N 3.48Å; F38-N42 PolarHBondContact O-ND2 3.39Å; N42-V44 PolarHBondContact O-N 3.19Å; N42-G45 PolarHBondContact O-N 2.97Å; N42-L46 HydrophobicContact CB-CD1 4.11Å; N42-L46 WeakPolarHBondContact O-CB 3.46Å; N42-L46 PolarHBondContact O-N 2.66Å
43	Y	85.9	Confident	87	Confident	79 Å²	79	60.8 Å²	60.8	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-45.3	-171.9	178.3	-109.4	0	0	0	113.2	V39 G45 L46 K47 I55 I57	V39-Y43 WeakPolarHBondContact O-CB 3.33Å; V39-Y43 PolarHBondContact O-N 2.98Å; V39-Y43 VanDerWaalsContact O-N 3.08Å; Y43-G45 VanDerWaalsContact C-N 3.35Å; Y43-G45 PolarHBondContact O-N 3.06Å; Y43-L46 PolarHBondContact O-N 2.91Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.32Å; Y43-I55 HydrophobicContact CD2-CG2 4.13Å; Y43-I55 HydrophobicContact CE2-CB 4.11Å; Y43-I55 HydrophobicContact CE2-CG2 3.76Å; Y43-I57 HydrophobicContact CD1-CD1 4.36Å; Y43-I57 HydrophobicContact CD2-CD1 3.42Å; Y43-I57 VanDerWaalsContact CD2-CD1 3.42Å; Y43-I57 HydrophobicContact CD2-CG1 4.27Å; Y43-I57 HydrophobicContact CE1-CD1 4.4Å; Y43-I57 HydrophobicContact CE2-CD1 3.44Å; Y43-I57 VanDerWaalsContact CE2-CD1 3.44Å; Y43-I57 HydrophobicContact CE2-CG1 4Å; Y43-I57 HydrophobicContact CG-CD1 3.89Å
44	V	87.1	Confident	87	Confident	86 Å²	86	59.4 Å²	59.4	52%	0.521	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-42.6	-177.9	-179.4	0	0	0	0	111.2	N42 K48	N42-V44 PolarHBondContact O-N 3.19Å; V44-K48 HydrophobicContact CG1-CD 4.19Å; V44-K48 WeakPolarHBondContact O-CB 3.3Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.39Å; V44-K48 PolarHBondContact O-N 3.4Å
45	G	86.3	Confident	87.1	Confident	39 Å²	39	60 Å²	60	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-44.8	176.9	0	0	0	0	0	112.1	N42 Y43 K47 K48 A49	N42-G45 PolarHBondContact O-N 2.97Å; Y43-G45 VanDerWaalsContact C-N 3.35Å; Y43-G45 PolarHBondContact O-N 3.06Å; G45-K47 PolarHBondContact O-N 3.44Å; G45-K48 PolarHBondContact O-N 3.42Å; G45-A49 WeakPolarHBondContact O-CB 3.28Å; G45-A49 PolarHBondContact O-N 2.99Å
46	L	83.7	Confident	87.2	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.042	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-46.5	176.5	-93.2	156.6	0	0	0	112.6	L10 L14 F38 N42 Y43 A49 N50 I55 L93	L10-L46 HydrophobicContact CB-CD2 3.98Å; L10-L46 HydrophobicContact CB-CG 4.37Å; L10-L46 HydrophobicContact CD2-CD2 4.27Å; L14-L46 HydrophobicContact CD1-CD2 3.57Å; F38-L46 HydrophobicContact CE1-CD1 4.27Å; F38-L46 HydrophobicContact CE2-CD1 4.33Å; F38-L46 HydrophobicContact CZ-CD1 3.59Å; N42-L46 HydrophobicContact CB-CD1 4.11Å; N42-L46 WeakPolarHBondContact O-CB 3.46Å; N42-L46 PolarHBondContact O-N 2.66Å; Y43-L46 PolarHBondContact O-N 2.91Å; L46-A49 PolarHBondContact O-N 3.24Å; L46-N50 PolarHBondContact O-N 3.05Å; L46-N50 PolarHBondContact O-ND2 3.17Å; L46-I55 HydrophobicContact CB-CD1 4.05Å; L46-L93 HydrophobicContact CD1-CD2 4.15Å; L46-L93 HydrophobicContact CD2-CD2 4.22Å
47	K	85.1	Confident	87.3	Confident	73 Å²	73	61.7 Å²	61.7	32%	0.317	33%	0.328	S	S	.	.	H	α-helix	trans	-71.2	-36.5	-178.6	-172	54.2	174	164.7	0	112.3	Y43 G45 N50 P51 L53	Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.32Å; G45-K47 PolarHBondContact O-N 3.44Å; K47-N50 CarbonylContact O-C 3.27Å; K47-N50 VanDerWaalsContact O-C 3.27Å; K47-N50 PolarHBondContact O-N 2.86Å; K47-P51 PolarHBondContact NZ-O 3.14Å; K47-L53 PolarHBondContact NZ-O 2.78Å
48	K	85.4	Confident	87.3	Confident	170 Å²	170	65.3 Å²	65.3	74%	0.739	34%	0.338	S	S	*	.	H	α-helix	trans	-65	-39.5	173.5	-76.3	179.4	179.5	-177.6	0	112.3	V44 G45 N50	V44-K48 HydrophobicContact CG1-CD 4.19Å; V44-K48 WeakPolarHBondContact O-CB 3.3Å; V44-K48 VanDerWaalsContact O-CG 3.3Å; V44-K48 WeakPolarHBondContact O-CG 3.39Å; V44-K48 PolarHBondContact O-N 3.4Å; G45-K48 PolarHBondContact O-N 3.42Å; K48-N50 VanDerWaalsContact C-N 3.32Å
49	A	84	Confident	87.4	Confident	36 Å²	36	70.1 Å²	70.1	30%	0.298	36%	0.36	S	S	.	.	H	α-helix	trans	-72.6	-25.5	178	0	0	0	0	0	113.1	G45 L46	G45-A49 WeakPolarHBondContact O-CB 3.28Å; G45-A49 PolarHBondContact O-N 2.99Å; L46-A49 PolarHBondContact O-N 3.24Å
50	N	83.2	Confident	87.4	Confident	3 Å²	3	71.9 Å²	71.9	2%	0.016	37%	0.373	C	S	.	.			trans	-132.6	73.2	-175.7	-52.9	-87.9	0	0	0	110.5	N13 L14 L46 K47 K48 D52 L53	N13-N50 WeakPolarHBondContact CA-OD1 3.39Å; L14-N50 WeakPolarHBondContact CD1-ND2 3.28Å; L14-N50 PolarHBondContact N-OD1 2.98Å; L46-N50 PolarHBondContact O-N 3.05Å; L46-N50 PolarHBondContact O-ND2 3.17Å; K47-N50 CarbonylContact O-C 3.27Å; K47-N50 VanDerWaalsContact O-C 3.27Å; K47-N50 PolarHBondContact O-N 2.86Å; K48-N50 VanDerWaalsContact C-N 3.32Å; N50-D52 VanDerWaalsContact C-N 3.33Å; N50-D52 PolarHBondContact O-N 2.93Å; N50-L53 HydrophobicContact CB-CB 3.81Å; N50-L53 HydrophobicContact CB-CD2 4.3Å; N50-L53 PolarHBondContact O-N 3.39Å
51	P	82.6	Confident	87.3	Confident	84 Å²	84	69.2 Å²	69.2	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-41.1	-177.4	23.8	-32.6	0	0	0	112	K47 L53	K47-P51 PolarHBondContact NZ-O 3.14Å; P51-L53 VanDerWaalsContact C-N 3.3Å; P51-L53 PolarHBondContact O-N 3.44Å
52	D	83.8	Confident	86.9	Confident	146 Å²	146	66 Å²	66	78%	0.781	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.4	-176.1	-55.1	-36.4	0	0	0	113.5	N50 P54	N50-D52 VanDerWaalsContact C-N 3.33Å; N50-D52 PolarHBondContact O-N 2.93Å; D52-P54 WeakPolarHBondContact O-CD 3.14Å
53	L	85.8	Confident	86.9	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.016	38%	0.384	C	S	.	.	S	Bend	trans	-84.3	122.4	-179.6	-171.6	62.6	0	0	0	110.4	L14 A15 L18 I21 K47 N50 P51 I55	L14-L53 HydrophobicContact CB-CD2 3.76Å; A15-L53 HydrophobicContact CB-CB 4.33Å; L18-L53 HydrophobicContact CB-CD1 4.13Å; L18-L53 WeakPolarHBondContact O-CD1 3.44Å; I21-L53 HydrophobicContact CD1-CD2 3.63Å; I21-L53 HydrophobicContact CD1-CG 4.46Å; I21-L53 HydrophobicContact CG1-CD2 4.41Å; K47-L53 PolarHBondContact NZ-O 2.78Å; N50-L53 HydrophobicContact CB-CB 3.81Å; N50-L53 HydrophobicContact CB-CD2 4.3Å; N50-L53 PolarHBondContact O-N 3.39Å; P51-L53 VanDerWaalsContact C-N 3.3Å; P51-L53 PolarHBondContact O-N 3.44Å; L53-I55 HydrophobicContact CD2-CG1 4.48Å; L53-I55 HydrophobicContact CG-CG1 4.38Å; L53-I55 PolarHBondContact O-N 2.87Å
54	P	90.1	Very high	87.1	Confident	52 Å²	52	68.7 Å²	68.7	34%	0.338	39%	0.393	S	S	.	.			trans	-71	112.7	169.9	-14.6	30.7	0	0	0	109.7	R19 E20 I21 D52	R19-P54 WeakPolarHBondContact O-CD 3.36Å; E20-P54 HydrophobicContact CG-CB 4.49Å; I21-P54 PolarHBondContact N-O 3.28Å; D52-P54 WeakPolarHBondContact O-CD 3.14Å
55	I	90.6	Very high	87.3	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.108	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	101	172	-53.8	174.7	0	0	0	106.9	Y43 L46 L53	Y43-I55 HydrophobicContact CD2-CG2 4.13Å; Y43-I55 HydrophobicContact CE2-CB 4.11Å; Y43-I55 HydrophobicContact CE2-CG2 3.76Å; L46-I55 HydrophobicContact CB-CD1 4.05Å; L53-I55 HydrophobicContact CD2-CG1 4.48Å; L53-I55 HydrophobicContact CG-CG1 4.38Å; L53-I55 PolarHBondContact O-N 2.87Å
56	L	91.4	Very high	87.6	Confident	50 Å²	50	66.8 Å²	66.8	26%	0.262	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.1	-175.3	-56.9	-176.2	0	0	0	110.1	E20 I21 R22 L23	E20-L56 HydrophobicContact CG-CD1 4.37Å; I21-L56 PolarHBondContact O-N 3.47Å; R22-L56 CarbonylContact C-O 3.56Å; R22-L56 VanDerWaalsContact CA-O 3.27Å; R22-L56 WeakPolarHBondContact CA-O 3.42Å; R22-L56 HydrophobicContact CB-CB 4.39Å; R22-L56 HydrophobicContact CG-CB 4.15Å; R22-L56 HydrophobicContact CG-CD1 4.16Å; L23-L56 PolarHBondContact N-O 3.33Å
57	I	92.6	Very high	88	Confident	38 Å²	38	66.6 Å²	66.6	20%	0.195	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.3	170.6	-58.8	175.3	0	0	0	107.4	L25 V39 Y43 E59	L25-I57 HydrophobicContact CD2-CG2 3.51Å; V39-I57 HydrophobicContact CB-CD1 4.35Å; V39-I57 HydrophobicContact CG1-CD1 3.53Å; V39-I57 HydrophobicContact CG2-CD1 3.87Å; V39-I57 HydrophobicContact CG2-CG1 4.47Å; Y43-I57 HydrophobicContact CD1-CD1 4.36Å; Y43-I57 HydrophobicContact CD2-CD1 3.42Å; Y43-I57 VanDerWaalsContact CD2-CD1 3.42Å; Y43-I57 HydrophobicContact CD2-CG1 4.27Å; Y43-I57 HydrophobicContact CE1-CD1 4.4Å; Y43-I57 HydrophobicContact CE2-CD1 3.44Å; Y43-I57 VanDerWaalsContact CE2-CD1 3.44Å; Y43-I57 HydrophobicContact CE2-CG1 4Å; Y43-I57 HydrophobicContact CG-CD1 3.89Å; I57-E59 HydrophobicContact CG2-CG 4.25Å
58	R	92.8	Very high	88.4	Confident	124 Å²	124	66.1 Å²	66.1	47%	0.468	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.8	180	-66.9	-64.2	179.9	-95.2	3.3	108.9	L23 H24 L25	L23-R58 PolarHBondContact O-N 3.47Å; H24-R58 VanDerWaalsContact CA-O 3.28Å; H24-R58 WeakPolarHBondContact CA-O 3.42Å; L25-R58 PolarHBondContact N-O 3.43Å
59	E	91.3	Very high	88.7	Confident	114 Å²	114	58.1 Å²	58.1	53%	0.533	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.6	178	-53	-176.1	168.9	0	0	109.7	L25 Q27 I57	L25-E59 HydrophobicContact CD1-CG 4.28Å; L25-E59 HydrophobicContact CD2-CG 4.16Å; L25-E59 HydrophobicContact CG-CG 4.09Å; L25-E59 CarbonylContact O-C 3.52Å; L25-E59 VanDerWaalsContact O-CA 3.3Å; L25-E59 WeakPolarHBondContact O-CA 3.39Å; Q27-E59 HydrophobicContact CG-CB 3.98Å; I57-E59 HydrophobicContact CG2-CG 4.25Å
60	C	89.1	Confident	89	Confident	62 Å²	62	60.9 Å²	60.9	42%	0.419	33%	0.328	S	S	.	.			trans	-147.8	137.6	179.8	-168.8	0	0	0	0	111	L25 C26 V63	L25-C60 PolarHBondContact O-N 3.4Å; C26-C60 VanDerWaalsContact CA-O 3.31Å; C26-C60 WeakPolarHBondContact CA-O 2.96Å; C60-V63 HydrophobicContact CB-CB 4.29Å; C60-V63 HydrophobicContact CB-CG2 3.55Å; C60-V63 WeakPolarHBondContact SG-CG2 3.34Å
61	S	87.7	Confident	89.3	Confident	93 Å²	93	61 Å²	61	65%	0.65	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	134.6	-179.8	-178	0	0	0	0	111.4	V63	S61-V63 VanDerWaalsContact C-N 3.26Å; S61-V63 PolarHBondContact O-N 2.82Å
62	G	81.9	Confident	89.5	Confident	73 Å²	73	59.5 Å²	59.5	75%	0.753	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	7.8	175.3	0	0	0	0	0	115.6
63	V	85.6	Confident	89.5	Confident	58 Å²	58	61.9 Å²	61.9	35%	0.352	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-92.7	140.2	178.8	-170.6	0	0	0	0	110.6	C60 S61	C60-V63 HydrophobicContact CB-CB 4.29Å; C60-V63 HydrophobicContact CB-CG2 3.55Å; C60-V63 WeakPolarHBondContact SG-CG2 3.34Å; S61-V63 VanDerWaalsContact C-N 3.26Å; S61-V63 PolarHBondContact O-N 2.82Å
64	Q	88.8	Confident	89.3	Confident	109 Å²	109	64.3 Å²	64.3	51%	0.509	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.6	138	171.5	-70.2	177.8	-17.7	0	0	110.7	R66	Q64-R66 PolarHBondContact O-N 2.82Å
65	A	91.1	Very high	89.2	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.2	122.1	178.5	0	0	0	0	0	110	H24 A35 V81 D82	H24-A65 CarbonylContact O-C 3.56Å; H24-A65 VanDerWaalsContact O-CA 3.28Å; H24-A65 WeakPolarHBondContact O-CA 3.41Å; A35-A65 HydrophobicContact CB-CB 4.27Å; A65-V81 HydrophobicContact CB-CG2 3.81Å; A65-V81 PolarHBondContact O-N 3.23Å; A65-D82 PolarHBondContact N-OD1 3.37Å; A65-D82 PolarHBondContact O-N 2.89Å
66	R	93	Very high	89.2	Confident	86 Å²	86	70.2 Å²	70.2	33%	0.325	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.4	-175.5	-170.2	174	-72.3	-176.2	2.4	111.6	H24 Q64 V79	H24-R66 PolarHBondContact N-O 3.28Å; H24-R66 PolarHBondContact O-N 3.42Å; Q64-R66 PolarHBondContact O-N 2.82Å; R66-V79 WeakPolarHBondContact CG-O 3.49Å
67	L	92.6	Very high	89.2	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.016	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.2	174.9	-173.1	64.5	0	0	0	109.6	I21 L23 S78 V79 V81 T92 L93 L96	I21-L67 HydrophobicContact CG2-CD1 3.69Å; L23-L67 HydrophobicContact CB-CD1 4.28Å; L23-L67 HydrophobicContact CD1-CB 4.48Å; L23-L67 HydrophobicContact CD1-CD1 4.13Å; L67-S78 CarbonylContact O-C 3.57Å; L67-S78 WeakPolarHBondContact O-CA 3.49Å; L67-V79 PolarHBondContact N-O 2.87Å; L67-V79 PolarHBondContact O-N 2.97Å; L67-V81 HydrophobicContact CB-CG1 4.06Å; L67-T92 HydrophobicContact CD2-CG2 4.45Å; L67-L93 HydrophobicContact CD2-CB 3.96Å; L67-L93 HydrophobicContact CD2-CD1 4.02Å; L67-L96 HydrophobicContact CD2-CD1 3.6Å; L67-L96 HydrophobicContact CG-CD1 3.97Å
68	W	92.6	Very high	89.1	Confident	64 Å²	64	73.4 Å²	73.4	24%	0.242	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.8	176.2	-61.6	73.9	0	0	0	109.4	I21 R22 H24 R77	I21-W68 CarbonylContact C-O 3.56Å; I21-W68 WeakPolarHBondContact CA-O 3.48Å; R22-W68 HydrophobicContact CB-CB 3.99Å; R22-W68 HydrophobicContact CG-CB 4.5Å; R22-W68 PolarHBondContact N-O 2.94Å; R22-W68 PolarHBondContact O-N 3.14Å; H24-W68 AromaticContact CE1-CD1 3.77Å; H24-W68 AromaticContact CE1-NE1 3.8Å; H24-W68 AromaticContact ND1-CD1 3.33Å; H24-W68 VanDerWaalsContact ND1-CD1 3.33Å; H24-W68 AromaticContact ND1-NE1 3.44Å; H24-W68 PolarHBondContact ND1-NE1 3.17Å; W68-R77 WeakPolarHBondContact CA-O 3.45Å
69	A	92.1	Very high	89.1	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	121.7	176.7	0	0	0	0	0	108.3	L18 Y71 E76 R77 L96	L18-A69 HydrophobicContact CD2-CB 3.57Å; A69-Y71 HydrophobicContact CB-CE2 4.02Å; A69-E76 WeakPolarHBondContact O-CA 3.46Å; A69-R77 PolarHBondContact N-O 2.86Å; A69-R77 PolarHBondContact O-N 2.84Å; A69-L96 HydrophobicContact CB-CB 4.17Å; A69-L96 HydrophobicContact CB-CD1 4.09Å; A69-L96 HydrophobicContact CB-CD2 4.46Å; A69-L96 HydrophobicContact CB-CG 4.48Å
70	R	91.3	Very high	89.1	Confident	95 Å²	95	66.3 Å²	66.3	36%	0.358	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.1	173.1	-172.4	170.1	83	133.2	5.7	109.5	R19 E20 K75 E76	R19-R70 PolarHBondContact N-O 3.36Å; E20-R70 HydrophobicContact CB-CB 4.07Å; E20-R70 PolarHBondContact N-O 2.98Å; E20-R70 PolarHBondContact O-N 3.29Å; E20-R70 IonicContact OE2-CZ 3.58Å; E20-R70 IonicContact OE2-NE 3.08Å; R70-K75 WeakPolarHBondContact CA-O 3.32Å; R70-E76 HydrophobicContact CB-CG 4.06Å; R70-E76 WeakPolarHBondContact CD-OE1 3.35Å; R70-E76 HydrophobicContact CG-CG 3.82Å
71	Y	89.1	Confident	89.1	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.016	34%	0.341	C	S	.	.			trans	-106.2	-173.3	177.8	-54.2	-88.1	0	0	0	109.9	N17 L18 A69 K75 R77 L96 S99 H101	N17-Y71 WeakPolarHBondContact O-CD1 3.27Å; L18-Y71 HydrophobicContact CD2-CD1 3.89Å; L18-Y71 HydrophobicContact CD2-CE1 3.51Å; L18-Y71 HydrophobicContact CG-CE1 4.21Å; A69-Y71 HydrophobicContact CB-CE2 4.02Å; Y71-K75 PolarHBondContact N-O 2.84Å; Y71-R77 HydrophobicContact CE2-CB 3.91Å; Y71-L96 WeakPolarHBondContact CE1-O 3.38Å; Y71-L96 PolarHBondContact OH-O 2.87Å; Y71-S99 WeakPolarHBondContact CE1-O 3.47Å; Y71-H101 HydrophobicContact CD2-CB 4.44Å; Y71-H101 HydrophobicContact CG-CB 4.39Å
72	D	85.3	Confident	89.2	Confident	53 Å²	53	60.9 Å²	60.9	28%	0.283	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60.8	161	171.7	-79.9	-46	0	0	0	112.9	R19 G74 K75	R19-D72 IonicContact CZ-OD1 3.93Å; R19-D72 IonicContact CZ-OD2 3.63Å; R19-D72 IonicContact NE-OD1 2.97Å; R19-D72 PolarHBondContact NE-OD1 2.9Å; R19-D72 IonicContact NE-OD2 2.89Å; R19-D72 IonicContact NH2-OD1 2.79Å; R19-D72 PolarHBondContact NH2-OD1 3.3Å; R19-D72 IonicContact NH2-OD2 3.41Å; R19-D72 PolarHBondContact NH2-OD2 3.43Å; D72-G74 PolarHBondContact O-N 2.86Å; D72-G74 VanDerWaalsContact O-N 3.08Å; D72-K75 PolarHBondContact O-N 2.75Å
73	F	84.3	Confident	89.5	Confident	197 Å²	197	63.2 Å²	63.2	86%	0.864	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	57.3	23.9	-179.9	-55.8	-84.7	0	0	0	114.3	K75	F73-K75 PolarHBondContact O-N 3.44Å
74	G	82.3	Confident	89.7	Confident	53 Å²	53	63.1 Å²	63.1	55%	0.546	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	72.3	13.6	177.1	0	0	0	0	0	114.5	D72 E76	D72-G74 PolarHBondContact O-N 2.86Å; D72-G74 VanDerWaalsContact O-N 3.08Å; G74-E76 PolarHBondContact O-N 2.86Å
75	K	88.1	Confident	89.8	Confident	104 Å²	104	60.2 Å²	60.2	45%	0.452	30%	0.303	S	S	.	.			trans	-71.3	128.9	176.3	-66.4	-176.9	-176.4	176.2	0	110	R70 Y71 D72 F73 H101	R70-K75 WeakPolarHBondContact CA-O 3.32Å; Y71-K75 PolarHBondContact N-O 2.84Å; D72-K75 PolarHBondContact O-N 2.75Å; F73-K75 PolarHBondContact O-N 3.44Å; K75-H101 HydrophobicContact CD-CB 4.04Å; K75-H101 PolarHBondContact NZ-OXT 2.64Å
76	E	90.6	Very high	89.6	Confident	93 Å²	93	60.9 Å²	60.9	44%	0.435	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.7	178.5	-63.9	-165.8	152.2	0	0	111.1	R22 A69 R70 G74	R22-E76 IonicContact CZ-OE1 3.5Å; R22-E76 IonicContact CZ-OE2 3.94Å; R22-E76 IonicContact NH1-OE1 2.73Å; R22-E76 PolarHBondContact NH1-OE1 3.25Å; R22-E76 IonicContact NH2-OE1 3.54Å; R22-E76 PolarHBondContact NH2-OE1 3.04Å; R22-E76 IonicContact NH2-OE2 3.76Å; R22-E76 PolarHBondContact NH2-OE2 3.17Å; A69-E76 WeakPolarHBondContact O-CA 3.46Å; R70-E76 HydrophobicContact CB-CG 4.06Å; R70-E76 WeakPolarHBondContact CD-OE1 3.35Å; R70-E76 HydrophobicContact CG-CG 3.82Å; G74-E76 PolarHBondContact O-N 2.86Å
77	R	91.1	Very high	89.3	Confident	104 Å²	104	62.9 Å²	62.9	39%	0.392	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137	172.7	-170.2	169.4	179.4	-176.5	-0.6	109.3	W68 A69 Y71 L96	W68-R77 WeakPolarHBondContact CA-O 3.45Å; A69-R77 PolarHBondContact N-O 2.86Å; A69-R77 PolarHBondContact O-N 2.84Å; Y71-R77 HydrophobicContact CE2-CB 3.91Å; R77-L96 HydrophobicContact CB-CD2 4.41Å; R77-L96 HydrophobicContact CG-CD2 4.05Å
78	S	90.9	Very high	89.1	Confident	52 Å²	52	67.7 Å²	67.7	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.7	174	70.4	0	0	0	0	111	L67	L67-S78 CarbonylContact O-C 3.57Å; L67-S78 WeakPolarHBondContact O-CA 3.49Å
79	V	92.1	Very high	88.9	Confident	36 Å²	36	64.6 Å²	64.6	22%	0.218	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.4	177.5	-177.2	0	0	0	0	108.1	R66 L67 V81 T92 L96	R66-V79 WeakPolarHBondContact CG-O 3.49Å; L67-V79 PolarHBondContact N-O 2.87Å; L67-V79 PolarHBondContact O-N 2.97Å; V79-V81 PolarHBondContact O-N 2.89Å; V79-T92 HydrophobicContact CB-CG2 4.13Å; V79-T92 HydrophobicContact CG1-CG2 3.71Å; V79-T92 HydrophobicContact CG2-CG2 4.48Å; V79-L96 HydrophobicContact CG2-CD1 4.2Å; V79-L96 HydrophobicContact CG2-CD2 3.92Å; V79-L96 HydrophobicContact CG2-CG 4.44Å
80	S	91.9	Very high	88.7	Confident	53 Å²	53	64.9 Å²	64.9	37%	0.371	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.8	171.3	-168.8	0	0	0	0	108.9	M84	S80-M84 WeakPolarHBondContact O-CE 3.35Å
81	V	89.3	Confident	88.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.			trans	-116.7	24.2	176.6	-64.4	0	0	0	0	111.2	L23 A65 L67 V79 M84 V89 T92	L23-V81 HydrophobicContact CD1-CG2 4.24Å; A65-V81 HydrophobicContact CB-CG2 3.81Å; A65-V81 PolarHBondContact O-N 3.23Å; L67-V81 HydrophobicContact CB-CG1 4.06Å; V79-V81 PolarHBondContact O-N 2.89Å; V81-M84 HydrophobicContact CB-SD 4.02Å; V81-M84 HydrophobicContact CG1-SD 3.98Å; V81-M84 WeakPolarHBondContact O-CB 3.37Å; V81-M84 PolarHBondContact O-N 3.43Å; V81-V89 HydrophobicContact CB-CG2 4.17Å; V81-T92 HydrophobicContact CG1-CG2 4.28Å
82	D	89.3	Confident	88.5	Confident	41 Å²	41	63.6 Å²	63.6	22%	0.219	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	135.4	179.7	-146.9	34.9	0	0	0	110.9	A31 A65 M84	A31-D82 WeakPolarHBondContact CB-OD1 3.31Å; A65-D82 PolarHBondContact N-OD1 3.37Å; A65-D82 PolarHBondContact O-N 2.89Å; D82-M84 PolarHBondContact O-N 3.03Å; D82-M84 VanDerWaalsContact O-N 3.12Å
83	N	88.8	Confident	88.6	Confident	122 Å²	122	61.3 Å²	61.3	65%	0.652	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	13.6	-173.4	-56.4	-69.6	0	0	0	115.4	A31	A31-N83 VanDerWaalsContact CA-OD1 3.28Å; A31-N83 WeakPolarHBondContact CA-OD1 3.44Å; A31-N83 VanDerWaalsContact CB-OD1 3.28Å; A31-N83 WeakPolarHBondContact CB-OD1 3.5Å; A31-N83 WeakPolarHBondContact O-CA 3.34Å; A31-N83 PolarHBondContact O-N 3.39Å
84	M	89.4	Confident	88.6	Confident	56 Å²	56	55.5 Å²	55.5	28%	0.276	31%	0.305	S	S	.	.			trans	-81.7	146.2	174.1	-67.6	-168.9	-178.4	0	0	111	G34 S80 V81 D82 Q88 V89	G34-M84 WeakPolarHBondContact CA-O 3.43Å; S80-M84 WeakPolarHBondContact O-CE 3.35Å; V81-M84 HydrophobicContact CB-SD 4.02Å; V81-M84 HydrophobicContact CG1-SD 3.98Å; V81-M84 WeakPolarHBondContact O-CB 3.37Å; V81-M84 PolarHBondContact O-N 3.43Å; D82-M84 PolarHBondContact O-N 3.03Å; D82-M84 VanDerWaalsContact O-N 3.12Å; M84-Q88 VanDerWaalsContact CA-OE1 3.31Å; M84-Q88 HydrophobicContact CB-CB 3.96Å; M84-Q88 HydrophobicContact CG-CB 4.38Å; M84-Q88 HydrophobicContact SD-CB 4.36Å; M84-V89 HydrophobicContact CB-CG2 4.06Å
85	S	90.8	Very high	88.8	Confident	47 Å²	47	56.8 Å²	56.8	33%	0.329	30%	0.302	S	S	.	.			trans	-71.6	160.4	169.9	74	0	0	0	0	111.2	E87 Q88 V89	S85-E87 PolarHBondContact O-N 3.21Å; S85-E87 VanDerWaalsContact O-N 3.1Å; S85-Q88 PolarHBondContact O-N 3.45Å; S85-Q88 WeakPolarHBondContact OG-CG 3.44Å; S85-Q88 PolarHBondContact OG-N 3.34Å; S85-V89 WeakPolarHBondContact O-CG2 3.36Å; S85-V89 PolarHBondContact O-N 3.32Å
86	A	87.7	Confident	88.7	Confident	14 Å²	14	52 Å²	52	12%	0.116	28%	0.282	C	S	.	.	H	α-helix	trans	-54	-33.3	175.8	0	0	0	0	0	112.9	G34 D37 F38 A90	G34-A86 WeakPolarHBondContact O-CA 3.43Å; D37-A86 HydrophobicContact CB-CB 4.11Å; F38-A86 HydrophobicContact CB-CB 4Å; A86-A90 WeakPolarHBondContact O-CB 3.22Å; A86-A90 PolarHBondContact O-N 2.97Å
87	E	86.3	Confident	88.3	Confident	129 Å²	129	48.3 Å²	48.3	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-69.8	-40.8	178.3	-57.9	176.1	156.3	0	0	112	S85 A90 A91	S85-E87 PolarHBondContact O-N 3.21Å; S85-E87 VanDerWaalsContact O-N 3.1Å; E87-A90 PolarHBondContact O-N 3.06Å; E87-A91 WeakPolarHBondContact O-CB 3.5Å; E87-A91 PolarHBondContact O-N 2.91Å
88	Q	87.9	Confident	87.7	Confident	103 Å²	103	49.5 Å²	49.5	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-68.9	-37.8	176.3	-72.1	172.7	-28.4	0	0	111.5	M84 S85 A91 T92	M84-Q88 VanDerWaalsContact CA-OE1 3.31Å; M84-Q88 HydrophobicContact CB-CB 3.96Å; M84-Q88 HydrophobicContact CG-CB 4.38Å; M84-Q88 HydrophobicContact SD-CB 4.36Å; S85-Q88 PolarHBondContact O-N 3.45Å; S85-Q88 WeakPolarHBondContact OG-CG 3.44Å; S85-Q88 PolarHBondContact OG-N 3.34Å; Q88-A91 PolarHBondContact O-N 3.19Å; Q88-T92 WeakPolarHBondContact O-CB 3.3Å; Q88-T92 PolarHBondContact O-N 2.79Å; Q88-T92 PolarHBondContact O-OG1 2.88Å
89	V	89.1	Confident	86.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-46.7	173.2	176.8	0	0	0	0	110.2	F38 V81 M84 S85 A91 T92 L93	F38-V89 HydrophobicContact CB-CB 4.32Å; F38-V89 HydrophobicContact CB-CG1 4.12Å; F38-V89 HydrophobicContact CD1-CG1 3.77Å; F38-V89 HydrophobicContact CD2-CB 4.33Å; F38-V89 HydrophobicContact CD2-CG1 4.07Å; F38-V89 HydrophobicContact CE1-CG1 4.2Å; F38-V89 HydrophobicContact CE2-CG1 4.47Å; F38-V89 HydrophobicContact CG-CB 4.21Å; F38-V89 HydrophobicContact CG-CG1 3.7Å; V81-V89 HydrophobicContact CB-CG2 4.17Å; M84-V89 HydrophobicContact CB-CG2 4.06Å; S85-V89 WeakPolarHBondContact O-CG2 3.36Å; S85-V89 PolarHBondContact O-N 3.32Å; V89-A91 PolarHBondContact O-N 3.12Å; V89-T92 PolarHBondContact O-N 2.73Å; V89-L93 PolarHBondContact O-N 2.79Å
90	A	87.2	Confident	85.5	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-43.3	176.2	0	0	0	0	0	112.6	L10 F38 A86 E87 L93 K94	L10-A90 HydrophobicContact CD1-CB 3.87Å; F38-A90 HydrophobicContact CD2-CB 4.04Å; F38-A90 HydrophobicContact CE2-CB 3.72Å; A86-A90 WeakPolarHBondContact O-CB 3.22Å; A86-A90 PolarHBondContact O-N 2.97Å; E87-A90 PolarHBondContact O-N 3.06Å; A90-L93 PolarHBondContact O-N 2.76Å; A90-K94 PolarHBondContact O-N 2.89Å
91	A	87.9	Confident	83.8	Confident	47 Å²	47	54.4 Å²	54.4	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-41.7	176.3	0	0	0	0	0	111.8	E87 Q88 V89 K94 T95	E87-A91 WeakPolarHBondContact O-CB 3.5Å; E87-A91 PolarHBondContact O-N 2.91Å; Q88-A91 PolarHBondContact O-N 3.19Å; V89-A91 PolarHBondContact O-N 3.12Å; A91-K94 WeakPolarHBondContact O-CB 2.99Å; A91-K94 PolarHBondContact O-N 2.97Å; A91-T95 PolarHBondContact O-N 3.48Å; A91-T95 PolarHBondContact O-OG1 3.36Å
92	T	88.4	Confident	83.5	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.16	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-44.8	177.6	-58.4	0	0	0	0	111.1	L67 V79 V81 Q88 V89 K94 T95 L96	L67-T92 HydrophobicContact CD2-CG2 4.45Å; V79-T92 HydrophobicContact CB-CG2 4.13Å; V79-T92 HydrophobicContact CG1-CG2 3.71Å; V79-T92 HydrophobicContact CG2-CG2 4.48Å; V81-T92 HydrophobicContact CG1-CG2 4.28Å; Q88-T92 WeakPolarHBondContact O-CB 3.3Å; Q88-T92 PolarHBondContact O-N 2.79Å; Q88-T92 PolarHBondContact O-OG1 2.88Å; V89-T92 PolarHBondContact O-N 2.73Å; T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.22Å; T92-T95 WeakPolarHBondContact O-CB 3.37Å; T92-T95 PolarHBondContact O-N 3.37Å; T92-L96 HydrophobicContact CG2-CD1 4.47Å; T92-L96 WeakPolarHBondContact O-CG 3.14Å; T92-L96 PolarHBondContact O-N 3.47Å
93	L	86.8	Confident	83.2	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-41.2	175.5	178.3	61.2	0	0	0	111.7	L10 I21 F38 L46 L67 V89 A90 L96 A97	L10-L93 HydrophobicContact CD2-CB 4.3Å; L10-L93 HydrophobicContact CD2-CD2 3.68Å; L10-L93 HydrophobicContact CD2-CG 3.82Å; I21-L93 HydrophobicContact CD1-CD1 3.75Å; I21-L93 HydrophobicContact CG1-CD1 4.23Å; I21-L93 HydrophobicContact CG2-CD1 4.21Å; F38-L93 HydrophobicContact CZ-CD2 3.81Å; L46-L93 HydrophobicContact CD1-CD2 4.15Å; L46-L93 HydrophobicContact CD2-CD2 4.22Å; L67-L93 HydrophobicContact CD2-CB 3.96Å; L67-L93 HydrophobicContact CD2-CD1 4.02Å; V89-L93 PolarHBondContact O-N 2.79Å; A90-L93 PolarHBondContact O-N 2.76Å; L93-L96 PolarHBondContact O-N 3.19Å; L93-A97 WeakPolarHBondContact O-CB 3.45Å; L93-A97 PolarHBondContact O-N 2.75Å
94	K	85	Confident	82.9	Confident	74 Å²	74	54.4 Å²	54.4	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-42.9	175.3	-174.5	-179.8	-177.9	171.1	0	112.2	S9 A90 A91 T92 L96 A97 Q98	S9-K94 WeakPolarHBondContact OG-CD 3.03Å; S9-K94 WeakPolarHBondContact OG-CE 3.42Å; S9-K94 PolarHBondContact OG-NZ 3.26Å; A90-K94 PolarHBondContact O-N 2.89Å; A91-K94 WeakPolarHBondContact O-CB 2.99Å; A91-K94 PolarHBondContact O-N 2.97Å; T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.22Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.93Å; K94-A97 WeakPolarHBondContact O-CB 3.43Å; K94-A97 PolarHBondContact O-N 2.67Å; K94-Q98 WeakPolarHBondContact O-CG 3.36Å; K94-Q98 PolarHBondContact O-N 2.81Å
95	T	86.6	Confident	82.5	Confident	81 Å²	81	54.3 Å²	54.3	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-40.5	175.9	-58.9	0	0	0	0	111.5	A91 T92 Q98 S99	A91-T95 PolarHBondContact O-N 3.48Å; A91-T95 PolarHBondContact O-OG1 3.36Å; T92-T95 WeakPolarHBondContact O-CB 3.37Å; T92-T95 PolarHBondContact O-N 3.37Å; T95-Q98 PolarHBondContact O-N 3.24Å; T95-S99 PolarHBondContact O-N 2.86Å; T95-S99 PolarHBondContact O-OG 2.88Å
96	L	85.4	Confident	82	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-41.4	174.4	-68.1	173.3	0	0	0	111.6	L67 A69 Y71 R77 V79 T92 L93 K94 Q98 S99	L67-L96 HydrophobicContact CD2-CD1 3.6Å; L67-L96 HydrophobicContact CG-CD1 3.97Å; A69-L96 HydrophobicContact CB-CB 4.17Å; A69-L96 HydrophobicContact CB-CD1 4.09Å; A69-L96 HydrophobicContact CB-CD2 4.46Å; A69-L96 HydrophobicContact CB-CG 4.48Å; Y71-L96 WeakPolarHBondContact CE1-O 3.38Å; Y71-L96 PolarHBondContact OH-O 2.87Å; R77-L96 HydrophobicContact CB-CD2 4.41Å; R77-L96 HydrophobicContact CG-CD2 4.05Å; V79-L96 HydrophobicContact CG2-CD1 4.2Å; V79-L96 HydrophobicContact CG2-CD2 3.92Å; V79-L96 HydrophobicContact CG2-CG 4.44Å; T92-L96 HydrophobicContact CG2-CD1 4.47Å; T92-L96 WeakPolarHBondContact O-CG 3.14Å; T92-L96 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 3.19Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 2.93Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.24Å; L96-S99 WeakPolarHBondContact O-CB 3.43Å; L96-S99 PolarHBondContact O-N 3.08Å
97	A	81.6	Confident	81.6	Confident	16 Å²	16	57.5 Å²	57.5	13%	0.132	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-36	176.7	0	0	0	0	0	114.5	L14 N17 L18 L93 K94	L14-A97 HydrophobicContact CD2-CB 3.23Å; L14-A97 HydrophobicContact CG-CB 4.34Å; N17-A97 PolarHBondContact ND2-O 3.47Å; L18-A97 HydrophobicContact CD1-CB 4.02Å; L93-A97 WeakPolarHBondContact O-CB 3.45Å; L93-A97 PolarHBondContact O-N 2.75Å; K94-A97 WeakPolarHBondContact O-CB 3.43Å; K94-A97 PolarHBondContact O-N 2.67Å
98	Q	80.4	Confident	81.2	Confident	128 Å²	128	52.4 Å²	52.4	60%	0.598	29%	0.287	S	S	*	.	H	α-helix	trans	-81.3	-21.9	179	-69.2	176.4	-23.9	0	0	112.4	K94 T95 L96 T100	K94-Q98 WeakPolarHBondContact O-CG 3.36Å; K94-Q98 PolarHBondContact O-N 2.81Å; T95-Q98 PolarHBondContact O-N 3.24Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.24Å; Q98-T100 PolarHBondContact O-N 3.33Å
99	S	72.9	Confident	80.7	Confident	24 Å²	24	48.5 Å²	48.5	17%	0.168	27%	0.272	C	S	.	.			trans	-68.6	117.7	176	-60.9	0	0	0	0	108.9	Y71 T95 L96	Y71-S99 WeakPolarHBondContact CE1-O 3.47Å; T95-S99 PolarHBondContact O-N 2.86Å; T95-S99 PolarHBondContact O-OG 2.88Å; L96-S99 WeakPolarHBondContact O-CB 3.43Å; L96-S99 PolarHBondContact O-N 3.08Å
100	T	62.6	Low	80	Confident	106 Å²	106	52.5 Å²	52.5	65%	0.65	30%	0.295	S	S	*	.			trans	-101.7	122.5	173.7	-49.8	0	0	0	0	107.4	Q98	Q98-T100 PolarHBondContact O-N 3.33Å
101	H	55.5	Low	79.4	Confident	114 Å²	114	56.7 Å²	56.7	53%	0.528	32%	0.317	S	S	.	.			trans	-128.2	0	-178.3	-80	-60.8	0	0	0	111.5	Y71 K75	Y71-H101 HydrophobicContact CD2-CB 4.44Å; Y71-H101 HydrophobicContact CG-CB 4.39Å; K75-H101 HydrophobicContact CD-CB 4.04Å; K75-H101 PolarHBondContact NZ-OXT 2.64Å

Retrieved 101 of 101 residues in 162.3 ms (Link to these results)

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