A0A087X1G1_HUMAN Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5

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 A0A087X1G1, Species HUMAN (Homo sapiens, Human), Gene NDUFA5, Length 101 aa.

						>A0A087X1G1_HUMAN|A0A087X1G1|NDUFA5
MAGVLKKRLRILYTKILDVLEEIPKNAAYRKYTEQITNEKLAMVKAEPDVKKLEDQLQGGQLEEVILQAEHELNLARKMREWKLWEPLVEEPPADQWKWPI
					

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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	62.1	Low	84.3	Confident	206 Å²	206	80.6 Å²	80.6	100%	1.015	42%	0.418	S	S	*	.				0	-58	0	-99.7	-171.7	-80.3	0	0	112.6	G3 V4	M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.35Å; M1-G3 VanDerWaalsContact O-N 3.12Å; M1-V4 WeakPolarHBondContact O-CB 3.38Å; M1-V4 PolarHBondContact O-N 3.17Å
2	A	66.6	Low	85.2	Confident	49 Å²	49	74.3 Å²	74.3	41%	0.405	39%	0.385	S	S	.	.	H	α-helix	trans	-40.5	-47.8	179.1	0	0	0	0	0	116.7	V4 L5 K6 V50	A2-V4 VanDerWaalsContact C-N 3.27Å; A2-V4 PolarHBondContact O-N 3.48Å; A2-L5 PolarHBondContact O-N 3Å; A2-K6 PolarHBondContact O-N 3.46Å; A2-V50 HydrophobicContact CB-CB 4.5Å; A2-V50 HydrophobicContact CB-CG2 3.52Å
3	G	77.6	Confident	85.9	Confident	46 Å²	46	69.2 Å²	69.2	47%	0.474	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-23.5	-179.1	0	0	0	0	0	115	M1 K7	M1-G3 VanDerWaalsContact C-N 3.34Å; M1-G3 PolarHBondContact O-N 3.35Å; M1-G3 VanDerWaalsContact O-N 3.12Å; G3-K7 WeakPolarHBondContact O-CG 3.5Å; G3-K7 PolarHBondContact O-N 3.22Å
4	V	85.4	Confident	86.5	Confident	105 Å²	105	68.6 Å²	68.6	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-74.8	-43.8	178	-178.3	0	0	0	0	110.1	M1 A2 K6 K7 R8	M1-V4 WeakPolarHBondContact O-CB 3.38Å; M1-V4 PolarHBondContact O-N 3.17Å; A2-V4 VanDerWaalsContact C-N 3.27Å; A2-V4 PolarHBondContact O-N 3.48Å; V4-K6 PolarHBondContact O-N 2.89Å; V4-K7 WeakPolarHBondContact O-CB 3.32Å; V4-K7 PolarHBondContact O-N 3.47Å; V4-R8 PolarHBondContact O-N 3.08Å
5	L	86.6	Confident	87.1	Confident	41 Å²	41	70.1 Å²	70.1	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-61.4	-44	178.3	-61	176.4	0	0	0	111.5	A2 K7 R8 L9 L62 E63 I66	A2-L5 PolarHBondContact O-N 3Å; L5-K7 PolarHBondContact O-N 2.88Å; L5-R8 WeakPolarHBondContact O-CB 3.36Å; L5-R8 PolarHBondContact O-N 3.2Å; L5-R8 VanDerWaalsContact O-N 3.16Å; L5-L9 PolarHBondContact O-N 3.23Å; L5-L62 HydrophobicContact CB-CD2 3.63Å; L5-L62 HydrophobicContact CB-CG 4.44Å; L5-L62 HydrophobicContact CD1-CD2 4.3Å; L5-E63 HydrophobicContact CD1-CG 4.48Å; L5-E63 VanDerWaalsContact CD1-OE1 3.25Å; L5-E63 WeakPolarHBondContact CD1-OE1 3.24Å; L5-I66 HydrophobicContact CB-CD1 3.81Å; L5-I66 HydrophobicContact CD2-CD1 3.64Å; L5-I66 HydrophobicContact CG-CD1 4.27Å
6	K	87.9	Confident	87.6	Confident	17 Å²	17	65.8 Å²	65.8	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-40.1	174.4	-72.2	-172.6	140.1	171.1	0	113.7	A2 V4 R8 R10 E47 P48 D49 V50 L62	A2-K6 PolarHBondContact O-N 3.46Å; V4-K6 PolarHBondContact O-N 2.89Å; K6-R8 VanDerWaalsContact C-N 3.32Å; K6-R10 WeakPolarHBondContact O-CG 3.37Å; K6-R10 PolarHBondContact O-N 2.62Å; K6-R10 VanDerWaalsContact O-N 3.13Å; K6-R10 PolarHBondContact O-NE 3.32Å; K6-E47 PolarHBondContact NZ-O 3.36Å; K6-P48 PolarHBondContact NZ-O 3.44Å; K6-D49 PolarHBondContact NZ-O 3.27Å; K6-V50 HydrophobicContact CD-CG2 4.31Å; K6-L62 HydrophobicContact CG-CD2 4.17Å
7	K	90	Very high	88	Confident	130 Å²	130	63.8 Å²	63.8	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-62.2	-42.9	173.5	-78.1	177.8	-178.8	-174.2	0	110.5	G3 V4 L5 R10 I11	G3-K7 WeakPolarHBondContact O-CG 3.5Å; G3-K7 PolarHBondContact O-N 3.22Å; V4-K7 WeakPolarHBondContact O-CB 3.32Å; V4-K7 PolarHBondContact O-N 3.47Å; L5-K7 PolarHBondContact O-N 2.88Å; K7-R10 VanDerWaalsContact CG-NH2 3.35Å; K7-R10 PolarHBondContact O-N 3Å; K7-I11 WeakPolarHBondContact O-CG1 3.35Å; K7-I11 PolarHBondContact O-N 2.91Å; K7-I11 VanDerWaalsContact O-N 3.13Å
8	R	92.3	Very high	88.4	Confident	110 Å²	110	65.4 Å²	65.4	42%	0.415	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-48.3	177.1	-176.4	61.2	175.6	-168.7	-0.6	112.1	V4 L5 K6 R10 I11 L12 I66 E70	V4-R8 PolarHBondContact O-N 3.08Å; L5-R8 WeakPolarHBondContact O-CB 3.36Å; L5-R8 PolarHBondContact O-N 3.2Å; L5-R8 VanDerWaalsContact O-N 3.16Å; K6-R8 VanDerWaalsContact C-N 3.32Å; R8-R10 VanDerWaalsContact C-N 3.34Å; R8-R10 PolarHBondContact O-N 2.83Å; R8-I11 PolarHBondContact O-N 3.4Å; R8-I11 VanDerWaalsContact O-N 3.17Å; R8-L12 HydrophobicContact CG-CD1 4.16Å; R8-L12 WeakPolarHBondContact O-CG 3.49Å; R8-L12 PolarHBondContact O-N 3.18Å; R8-I66 HydrophobicContact CG-CG2 4.23Å; R8-E70 IonicContact CZ-OE1 2.88Å; R8-E70 IonicContact NE-OE1 3.26Å; R8-E70 IonicContact NH2-OE1 2.75Å; R8-E70 PolarHBondContact NH2-OE1 3.29Å
9	L	91.6	Very high	88.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-56.7	-45.5	176.3	-82.5	173.3	0	0	0	112.6	L5 I11 L12 Y13 V44 L62 V65 I66 A69	L5-L9 PolarHBondContact O-N 3.23Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-Y13 HydrophobicContact CB-CD2 4.43Å; L9-Y13 HydrophobicContact CB-CE2 4.19Å; L9-Y13 HydrophobicContact CD2-CE2 4.05Å; L9-Y13 VanDerWaalsContact O-CD2 3.23Å; L9-Y13 WeakPolarHBondContact O-CD2 3.49Å; L9-Y13 PolarHBondContact O-N 3.1Å; L9-V44 HydrophobicContact CD1-CG2 4.4Å; L9-L62 HydrophobicContact CD1-CD1 3.44Å; L9-L62 VanDerWaalsContact CD1-CD1 3.44Å; L9-L62 HydrophobicContact CD1-CD2 4.3Å; L9-L62 HydrophobicContact CD1-CG 3.77Å; L9-V65 HydrophobicContact CD1-CG1 4.48Å; L9-V65 HydrophobicContact CD2-CG1 4.02Å; L9-I66 HydrophobicContact CD1-CG1 4.2Å; L9-I66 HydrophobicContact CD2-CB 4.31Å; L9-I66 HydrophobicContact CD2-CG1 3.51Å; L9-I66 HydrophobicContact CG-CD1 4.24Å; L9-I66 HydrophobicContact CG-CG1 3.49Å; L9-I66 VanDerWaalsContact CG-CG1 3.49Å; L9-A69 HydrophobicContact CD2-CB 4.33Å
10	R	92.5	Very high	88.8	Confident	104 Å²	104	59.9 Å²	59.9	39%	0.392	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-44.4	177.3	-74.1	-175.6	-70.8	-178.9	-4.6	111.9	K6 K7 R8 L12 Y13 T14 L41 V44	K6-R10 WeakPolarHBondContact O-CG 3.37Å; K6-R10 PolarHBondContact O-N 2.62Å; K6-R10 VanDerWaalsContact O-N 3.13Å; K6-R10 PolarHBondContact O-NE 3.32Å; K7-R10 VanDerWaalsContact CG-NH2 3.35Å; K7-R10 PolarHBondContact O-N 3Å; R8-R10 VanDerWaalsContact C-N 3.34Å; R8-R10 PolarHBondContact O-N 2.83Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-L12 PolarHBondContact O-N 3.4Å; R10-Y13 PolarHBondContact O-N 2.76Å; R10-T14 WeakPolarHBondContact O-CG2 3.18Å; R10-T14 PolarHBondContact O-N 3.17Å; R10-T14 PolarHBondContact O-OG1 3.5Å; R10-L41 HydrophobicContact CB-CD1 4.46Å; R10-L41 HydrophobicContact CG-CD1 4.05Å; R10-V44 HydrophobicContact CG-CG1 3.97Å
11	I	94.7	Very high	88.9	Confident	79 Å²	79	63.4 Å²	63.4	41%	0.405	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-39.1	177.7	-65.9	163.3	0	0	0	111.3	K7 R8 L9 T14 K15	K7-I11 WeakPolarHBondContact O-CG1 3.35Å; K7-I11 PolarHBondContact O-N 2.91Å; K7-I11 VanDerWaalsContact O-N 3.13Å; R8-I11 PolarHBondContact O-N 3.4Å; R8-I11 VanDerWaalsContact O-N 3.17Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.49Å; I11-T14 PolarHBondContact O-OG1 2.96Å; I11-K15 HydrophobicContact CG2-CD 4.17Å; I11-K15 WeakPolarHBondContact O-CB 3.25Å; I11-K15 VanDerWaalsContact O-CG 3.25Å; I11-K15 WeakPolarHBondContact O-CG 3.32Å; I11-K15 PolarHBondContact O-N 3.17Å; I11-K15 VanDerWaalsContact O-N 3.1Å
12	L	94.7	Very high	90.2	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-47.6	178.5	-70.3	171.9	0	0	0	111.2	R8 L9 R10 T14 K15 I16 I66 A69 E70 L73	R8-L12 HydrophobicContact CG-CD1 4.16Å; R8-L12 WeakPolarHBondContact O-CG 3.49Å; R8-L12 PolarHBondContact O-N 3.18Å; L9-L12 PolarHBondContact O-N 3.1Å; R10-L12 VanDerWaalsContact C-N 3.33Å; R10-L12 PolarHBondContact O-N 3.4Å; L12-T14 PolarHBondContact O-N 3.03Å; L12-K15 PolarHBondContact O-N 3.17Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.39Å; L12-I66 HydrophobicContact CD1-CG2 3.93Å; L12-A69 HydrophobicContact CB-CB 4.14Å; L12-A69 HydrophobicContact CD1-CB 4.03Å; L12-E70 HydrophobicContact CD1-CG 3.66Å; L12-E70 HydrophobicContact CD2-CG 3.83Å; L12-E70 HydrophobicContact CG-CG 4.42Å; L12-L73 HydrophobicContact CD2-CD2 4.22Å
13	Y	94.6	Very high	91.3	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-39.5	178.7	-68.6	-44.3	0	0	0	112.9	L9 R10 K15 I16 L17 T37 K40 L41 V44 A69	L9-Y13 HydrophobicContact CB-CD2 4.43Å; L9-Y13 HydrophobicContact CB-CE2 4.19Å; L9-Y13 HydrophobicContact CD2-CE2 4.05Å; L9-Y13 VanDerWaalsContact O-CD2 3.23Å; L9-Y13 WeakPolarHBondContact O-CD2 3.49Å; L9-Y13 PolarHBondContact O-N 3.1Å; R10-Y13 PolarHBondContact O-N 2.76Å; Y13-K15 VanDerWaalsContact C-N 3.35Å; Y13-I16 HydrophobicContact CD1-CD1 4.11Å; Y13-I16 PolarHBondContact O-N 2.96Å; Y13-L17 WeakPolarHBondContact O-CG 3.36Å; Y13-L17 PolarHBondContact O-N 3.13Å; Y13-T37 HydrophobicContact CD1-CG2 3.75Å; Y13-T37 HydrophobicContact CG-CG2 4.13Å; Y13-K40 HydrophobicContact CE1-CB 4.35Å; Y13-K40 HydrophobicContact CE1-CD 4.45Å; Y13-K40 HydrophobicContact CE2-CB 4.16Å; Y13-L41 HydrophobicContact CD2-CB 4.37Å; Y13-L41 HydrophobicContact CD2-CD1 4.24Å; Y13-V44 HydrophobicContact CE2-CG2 4.2Å; Y13-A69 HydrophobicContact CE1-CB 4.1Å
14	T	94.8	Very high	91.9	Very high	61 Å²	61	56.2 Å²	56.2	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-42.9	173.8	54.3	0	0	0	0	111.3	R10 I11 L12 I16 L17 D18	R10-T14 WeakPolarHBondContact O-CG2 3.18Å; R10-T14 PolarHBondContact O-N 3.17Å; R10-T14 PolarHBondContact O-OG1 3.5Å; I11-T14 PolarHBondContact O-OG1 2.96Å; L12-T14 PolarHBondContact O-N 3.03Å; T14-I16 VanDerWaalsContact C-N 3.32Å; T14-I16 PolarHBondContact O-N 3.44Å; T14-L17 PolarHBondContact O-N 3.49Å; T14-D18 PolarHBondContact O-N 3.13Å
15	K	95.5	Very high	92.1	Very high	92 Å²	92	59.5 Å²	59.5	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-35.9	176.6	-76	178.1	177.4	-172	0	113.2	I11 L12 Y13 D18 V19 L73	I11-K15 HydrophobicContact CG2-CD 4.17Å; I11-K15 WeakPolarHBondContact O-CB 3.25Å; I11-K15 VanDerWaalsContact O-CG 3.25Å; I11-K15 WeakPolarHBondContact O-CG 3.32Å; I11-K15 PolarHBondContact O-N 3.17Å; I11-K15 VanDerWaalsContact O-N 3.1Å; L12-K15 PolarHBondContact O-N 3.17Å; Y13-K15 VanDerWaalsContact C-N 3.35Å; K15-D18 PolarHBondContact O-N 3.4Å; K15-V19 WeakPolarHBondContact O-CG2 3.25Å; K15-V19 PolarHBondContact O-N 2.91Å; K15-V19 VanDerWaalsContact O-N 3.13Å; K15-L73 HydrophobicContact CB-CD1 3.99Å; K15-L73 HydrophobicContact CB-CD2 4.3Å; K15-L73 HydrophobicContact CD-CD2 4.45Å
16	I	94.8	Very high	92.1	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-63.3	-48.7	174.7	-69.4	163.5	0	0	0	109	L12 Y13 T14 D18 V19 L20 T33 T37 A69 E72 L73	L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.39Å; Y13-I16 HydrophobicContact CD1-CD1 4.11Å; Y13-I16 PolarHBondContact O-N 2.96Å; T14-I16 VanDerWaalsContact C-N 3.32Å; T14-I16 PolarHBondContact O-N 3.44Å; I16-D18 VanDerWaalsContact C-N 3.32Å; I16-D18 PolarHBondContact O-N 2.91Å; I16-V19 PolarHBondContact O-N 3.45Å; I16-L20 HydrophobicContact CG2-CD1 3.86Å; I16-L20 HydrophobicContact CG2-CG 4.27Å; I16-L20 VanDerWaalsContact O-CG 3.28Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 3.21Å; I16-T33 HydrophobicContact CG2-CG2 4.38Å; I16-T37 HydrophobicContact CB-CG2 4.47Å; I16-T37 HydrophobicContact CG2-CG2 4.32Å; I16-A69 HydrophobicContact CD1-CB 4.43Å; I16-E72 HydrophobicContact CD1-CB 4.1Å; I16-E72 HydrophobicContact CD1-CG 4.19Å; I16-E72 HydrophobicContact CG2-CG 4.5Å; I16-L73 HydrophobicContact CD1-CB 4.44Å; I16-L73 HydrophobicContact CG1-CB 3.82Å; I16-L73 HydrophobicContact CG1-CD1 3.9Å; I16-L73 HydrophobicContact CG1-CG 4.45Å
17	L	94.6	Very high	92.1	Very high	32 Å²	32	63.2 Å²	63.2	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-44.3	177	-67.8	171.7	0	0	0	111.7	Y13 T14 V19 L20 E21 E34 T37 L41	Y13-L17 WeakPolarHBondContact O-CG 3.36Å; Y13-L17 PolarHBondContact O-N 3.13Å; T14-L17 PolarHBondContact O-N 3.49Å; L17-V19 VanDerWaalsContact C-N 3.32Å; L17-V19 PolarHBondContact O-N 3.38Å; L17-L20 PolarHBondContact O-N 3.24Å; L17-L20 VanDerWaalsContact O-N 3.11Å; L17-E21 PolarHBondContact O-N 3.3Å; L17-E34 HydrophobicContact CD2-CG 4.32Å; L17-T37 HydrophobicContact CD1-CG2 4.32Å; L17-T37 HydrophobicContact CD2-CG2 3.95Å; L17-T37 HydrophobicContact CG-CG2 3.82Å; L17-L41 HydrophobicContact CD1-CD2 4.3Å
18	D	94.9	Very high	92.1	Very high	93 Å²	93	60 Å²	60	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-57.9	-42	177	-62.1	-22.8	0	0	0	112.1	T14 K15 I16 E21	T14-D18 PolarHBondContact O-N 3.13Å; K15-D18 PolarHBondContact O-N 3.4Å; I16-D18 VanDerWaalsContact C-N 3.32Å; I16-D18 PolarHBondContact O-N 2.91Å; D18-E21 WeakPolarHBondContact O-CB 3.33Å; D18-E21 PolarHBondContact O-N 3.47Å
19	V	92.9	Very high	92.1	Very high	19 Å²	19	56.9 Å²	56.9	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-69.5	-37.7	176.9	174.2	0	0	0	0	111.4	K15 I16 L17 E21 E22 L73 A76 R77	K15-V19 WeakPolarHBondContact O-CG2 3.25Å; K15-V19 PolarHBondContact O-N 2.91Å; K15-V19 VanDerWaalsContact O-N 3.13Å; I16-V19 PolarHBondContact O-N 3.45Å; L17-V19 VanDerWaalsContact C-N 3.32Å; L17-V19 PolarHBondContact O-N 3.38Å; V19-E21 PolarHBondContact O-N 3.38Å; V19-E22 PolarHBondContact O-N 3.29Å; V19-L73 HydrophobicContact CG2-CD1 4.08Å; V19-A76 HydrophobicContact CB-CB 4.46Å; V19-A76 HydrophobicContact CG1-CB 3.84Å; V19-R77 HydrophobicContact CG1-CG 4.26Å; V19-R77 HydrophobicContact CG2-CG 4.31Å
20	L	91.3	Very high	92.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-24.3	177.7	-68.3	173.8	0	0	0	112.4	I16 L17 E22 I23 Y29 R30 T33 E34 A76	I16-L20 HydrophobicContact CG2-CD1 3.86Å; I16-L20 HydrophobicContact CG2-CG 4.27Å; I16-L20 VanDerWaalsContact O-CG 3.28Å; I16-L20 WeakPolarHBondContact O-CG 3.42Å; I16-L20 PolarHBondContact O-N 3.21Å; L17-L20 PolarHBondContact O-N 3.24Å; L17-L20 VanDerWaalsContact O-N 3.11Å; L20-E22 PolarHBondContact O-N 3.16Å; L20-I23 HydrophobicContact CD2-CD1 3.97Å; L20-I23 PolarHBondContact O-N 3.12Å; L20-I23 VanDerWaalsContact O-N 3.1Å; L20-Y29 HydrophobicContact CD2-CD1 4.35Å; L20-Y29 HydrophobicContact CD2-CE1 3.85Å; L20-R30 VanDerWaalsContact O-CD 3.3Å; L20-R30 WeakPolarHBondContact O-CD 3.5Å; L20-R30 PolarHBondContact O-NE 3.49Å; L20-R30 PolarHBondContact O-NH1 3.48Å; L20-T33 HydrophobicContact CD1-CG2 3.71Å; L20-T33 HydrophobicContact CD2-CG2 4.27Å; L20-E34 HydrophobicContact CB-CG 4.27Å; L20-E34 HydrophobicContact CD1-CG 3.84Å; L20-A76 HydrophobicContact CD2-CB 4.45Å
21	E	91.9	Very high	92.1	Very high	135 Å²	135	59.3 Å²	59.3	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-60.1	-32.8	175.4	-70.4	-169.7	169.6	0	0	112.9	L17 D18 V19 I23 R30	L17-E21 PolarHBondContact O-N 3.3Å; D18-E21 WeakPolarHBondContact O-CB 3.33Å; D18-E21 PolarHBondContact O-N 3.47Å; V19-E21 PolarHBondContact O-N 3.38Å; E21-I23 VanDerWaalsContact C-N 3.29Å; E21-I23 PolarHBondContact O-N 2.66Å; E21-R30 PolarHBondContact O-NH1 2.95Å; E21-R30 VanDerWaalsContact O-NH1 3.1Å
22	E	89.8	Confident	92	Very high	102 Å²	102	62.1 Å²	62.1	48%	0.477	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.5	178.5	-56.8	178.2	138.8	0	0	113.2	V19 L20 R80	V19-E22 PolarHBondContact O-N 3.29Å; L20-E22 PolarHBondContact O-N 3.16Å; E22-R80 VanDerWaalsContact CD-CZ 3.41Å; E22-R80 IonicContact OE1-CZ 3.51Å; E22-R80 IonicContact OE1-NH1 2.77Å; E22-R80 PolarHBondContact OE1-NH1 2.91Å; E22-R80 IonicContact OE1-NH2 3.58Å; E22-R80 WeakPolarHBondContact OE2-CD 3.43Å; E22-R80 IonicContact OE2-CZ 3.33Å; E22-R80 IonicContact OE2-NE 3.79Å; E22-R80 PolarHBondContact OE2-NE 2.94Å; E22-R80 IonicContact OE2-NH1 2.79Å; E22-R80 PolarHBondContact OE2-NH1 2.94Å; E22-R80 IonicContact OE2-NH2 3.53Å
23	I	89.1	Confident	92	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	31%	0.308	C	S	.	.	S	Bend	trans	-85.3	139.5	178.6	-62.2	-177.4	0	0	0	109.3	L20 E21 A27 Y29 R30 M79 W85	L20-I23 HydrophobicContact CD2-CD1 3.97Å; L20-I23 PolarHBondContact O-N 3.12Å; L20-I23 VanDerWaalsContact O-N 3.1Å; E21-I23 VanDerWaalsContact C-N 3.29Å; E21-I23 PolarHBondContact O-N 2.66Å; I23-A27 HydrophobicContact CG2-CB 3.75Å; I23-Y29 HydrophobicContact CD1-CD1 4.06Å; I23-Y29 HydrophobicContact CD1-CE1 4.08Å; I23-R30 HydrophobicContact CB-CB 4.39Å; I23-R30 HydrophobicContact CG2-CB 3.88Å; I23-R30 WeakPolarHBondContact O-CD 3.07Å; I23-R30 PolarHBondContact O-NH1 3.37Å; I23-M79 HydrophobicContact CD1-CB 4.3Å; I23-W85 HydrophobicContact CB-CZ3 4.34Å; I23-W85 HydrophobicContact CD1-CZ3 4.43Å; I23-W85 HydrophobicContact CG1-CH2 4.41Å; I23-W85 HydrophobicContact CG1-CZ3 4.14Å; I23-W85 HydrophobicContact CG2-CE3 3.79Å; I23-W85 HydrophobicContact CG2-CH2 4.27Å; I23-W85 HydrophobicContact CG2-CZ3 3.61Å
24	P	90.2	Very high	92	Very high	46 Å²	46	64.5 Å²	64.5	30%	0.299	32%	0.318	S	S	.	.			trans	-57.3	140.5	177.2	-29.6	38.9	0	0	0	114.5	N26 A27 R30 W85	P24-N26 WeakPolarHBondContact CB-OD1 3.41Å; P24-N26 PolarHBondContact O-N 3.1Å; P24-A27 VanDerWaalsContact O-CB 3.24Å; P24-A27 WeakPolarHBondContact O-CB 3.41Å; P24-A27 PolarHBondContact O-N 2.88Å; P24-R30 WeakPolarHBondContact O-CD 3.29Å; P24-W85 HydrophobicContact CG-CD2 4.24Å; P24-W85 HydrophobicContact CG-CG 4.48Å; P24-W85 HydrophobicContact CG-CZ2 4.07Å
25	K	88.7	Confident	91.9	Very high	175 Å²	175	66.2 Å²	66.2	76%	0.761	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21	179.7	-69.4	-174.7	179.5	-178.1	0	114.5	A27	K25-A27 VanDerWaalsContact C-N 3.31Å
26	N	86.7	Confident	91.8	Very high	131 Å²	131	65.8 Å²	65.8	70%	0.701	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.8	175.7	65.5	-28.3	0	0	0	112.7	P24 A28	P24-N26 WeakPolarHBondContact CB-OD1 3.41Å; P24-N26 PolarHBondContact O-N 3.1Å; N26-A28 PolarHBondContact O-N 3.48Å
27	A	89.3	Confident	91.8	Very high	4 Å²	4	66 Å²	66	3%	0.033	32%	0.323	C	S	.	.			trans	-66.7	123.5	177.5	0	0	0	0	0	110	I23 P24 K25 Y29 R30 K31 W85	I23-A27 HydrophobicContact CG2-CB 3.75Å; P24-A27 VanDerWaalsContact O-CB 3.24Å; P24-A27 WeakPolarHBondContact O-CB 3.41Å; P24-A27 PolarHBondContact O-N 2.88Å; K25-A27 VanDerWaalsContact C-N 3.31Å; A27-Y29 PolarHBondContact O-N 2.75Å; A27-R30 HydrophobicContact CB-CB 4.26Å; A27-R30 PolarHBondContact O-N 2.91Å; A27-R30 VanDerWaalsContact O-N 3.15Å; A27-K31 PolarHBondContact O-N 3.27Å; A27-W85 HydrophobicContact CB-CB 3.74Å; A27-W85 HydrophobicContact CB-CD2 4.39Å; A27-W85 HydrophobicContact CB-CE3 4.17Å; A27-W85 HydrophobicContact CB-CG 4.27Å
28	A	89.9	Confident	91.8	Very high	62 Å²	62	68.3 Å²	68.3	51%	0.512	34%	0.336	S	S	.	.	H	α-helix	trans	-56.2	-40.9	177.6	0	0	0	0	0	111.6	N26 R30 K31 Y32	N26-A28 PolarHBondContact O-N 3.48Å; A28-R30 PolarHBondContact O-N 2.94Å; A28-K31 PolarHBondContact O-N 3.37Å; A28-Y32 HydrophobicContact CB-CD2 4.48Å; A28-Y32 HydrophobicContact CB-CE2 4.26Å; A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 2.98Å
29	Y	90.9	Very high	91.7	Very high	46 Å²	46	68.2 Å²	68.2	18%	0.18	33%	0.333	C	S	.	.	H	α-helix	trans	-54.3	-51.1	176.1	176.9	-109.3	0	0	0	112	L20 I23 A27 K31 Y32 T33 E72 L75 M79	L20-Y29 HydrophobicContact CD2-CD1 4.35Å; L20-Y29 HydrophobicContact CD2-CE1 3.85Å; I23-Y29 HydrophobicContact CD1-CD1 4.06Å; I23-Y29 HydrophobicContact CD1-CE1 4.08Å; A27-Y29 PolarHBondContact O-N 2.75Å; Y29-K31 PolarHBondContact O-N 2.9Å; Y29-Y32 PolarHBondContact O-N 3.44Å; Y29-T33 WeakPolarHBondContact CD2-OG1 3.32Å; Y29-T33 WeakPolarHBondContact CE2-OG1 3.43Å; Y29-T33 WeakPolarHBondContact O-CB 3.3Å; Y29-T33 PolarHBondContact O-N 3.1Å; Y29-T33 PolarHBondContact O-OG1 3.35Å; Y29-E72 PolarHBondContact OH-OE1 3.25Å; Y29-L75 HydrophobicContact CE2-CD2 4.37Å; Y29-M79 HydrophobicContact CD1-CB 4.16Å; Y29-M79 HydrophobicContact CD1-CE 3.77Å; Y29-M79 HydrophobicContact CD1-CG 4.1Å; Y29-M79 HydrophobicContact CD2-CE 3.46Å; Y29-M79 VanDerWaalsContact CD2-CE 3.46Å; Y29-M79 HydrophobicContact CE1-CB 3.87Å; Y29-M79 HydrophobicContact CE1-CE 4.07Å; Y29-M79 HydrophobicContact CE1-CG 3.62Å; Y29-M79 HydrophobicContact CE2-CE 3.79Å; Y29-M79 HydrophobicContact CE2-CG 4.4Å; Y29-M79 HydrophobicContact CG-CE 3.45Å; Y29-M79 VanDerWaalsContact CG-CE 3.45Å
30	R	92.4	Very high	91.6	Very high	25 Å²	25	70.4 Å²	70.4	9%	0.094	34%	0.341	C	S	.	.	H	α-helix	trans	-56.4	-49.2	179.6	175.6	172.7	173	161.7	17.1	111.6	L20 E21 I23 P24 A27 A28 Y32 T33 E34	L20-R30 VanDerWaalsContact O-CD 3.3Å; L20-R30 WeakPolarHBondContact O-CD 3.5Å; L20-R30 PolarHBondContact O-NE 3.49Å; L20-R30 PolarHBondContact O-NH1 3.48Å; E21-R30 PolarHBondContact O-NH1 2.95Å; E21-R30 VanDerWaalsContact O-NH1 3.1Å; I23-R30 HydrophobicContact CB-CB 4.39Å; I23-R30 HydrophobicContact CG2-CB 3.88Å; I23-R30 WeakPolarHBondContact O-CD 3.07Å; I23-R30 PolarHBondContact O-NH1 3.37Å; P24-R30 WeakPolarHBondContact O-CD 3.29Å; A27-R30 HydrophobicContact CB-CB 4.26Å; A27-R30 PolarHBondContact O-N 2.91Å; A27-R30 VanDerWaalsContact O-N 3.15Å; A28-R30 PolarHBondContact O-N 2.94Å; R30-Y32 PolarHBondContact O-N 2.98Å; R30-T33 PolarHBondContact O-N 3.26Å; R30-E34 HydrophobicContact CG-CG 4.11Å; R30-E34 IonicContact CZ-OE1 3.08Å; R30-E34 VanDerWaalsContact CZ-OE1 3.26Å; R30-E34 IonicContact NE-OE1 2.62Å; R30-E34 PolarHBondContact NE-OE1 3.11Å; R30-E34 IonicContact NE-OE2 3.32Å; R30-E34 IonicContact NH2-OE1 3.94Å; R30-E34 PolarHBondContact NH2-OE1 2.94Å; R30-E34 VanDerWaalsContact O-CB 3.27Å; R30-E34 WeakPolarHBondContact O-CB 3.39Å; R30-E34 VanDerWaalsContact O-CG 3.29Å; R30-E34 WeakPolarHBondContact O-CG 3.28Å; R30-E34 PolarHBondContact O-N 3.07Å
31	K	92.4	Very high	91.7	Very high	130 Å²	130	70.9 Å²	70.9	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-56.9	-49.1	-177.8	-176.6	-176.5	177.5	-174.1	0	112.2	A27 A28 Y29 Q35	A27-K31 PolarHBondContact O-N 3.27Å; A28-K31 PolarHBondContact O-N 3.37Å; Y29-K31 PolarHBondContact O-N 2.9Å; K31-Q35 PolarHBondContact O-N 3.35Å
32	Y	93.6	Very high	91.7	Very high	137 Å²	137	67.1 Å²	67.1	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-74.6	-40.6	-177	-65.4	-60.4	0	0	0	112.1	A28 Y29 R30 Q35 I36	A28-Y32 HydrophobicContact CB-CD2 4.48Å; A28-Y32 HydrophobicContact CB-CE2 4.26Å; A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 2.98Å; Y29-Y32 PolarHBondContact O-N 3.44Å; R30-Y32 PolarHBondContact O-N 2.98Å; Y32-Q35 PolarHBondContact O-N 3.21Å; Y32-I36 VanDerWaalsContact O-CG1 3.32Å; Y32-I36 WeakPolarHBondContact O-CG1 3.27Å; Y32-I36 PolarHBondContact O-N 3.47Å
33	T	93.7	Very high	91.8	Very high	13 Å²	13	64.5 Å²	64.5	8%	0.08	32%	0.324	C	S	.	.	H	α-helix	trans	-67.3	-39	178.8	-52.6	0	0	0	0	111.6	I16 L20 Y29 R30 T37 E72	I16-T33 HydrophobicContact CG2-CG2 4.38Å; L20-T33 HydrophobicContact CD1-CG2 3.71Å; L20-T33 HydrophobicContact CD2-CG2 4.27Å; Y29-T33 WeakPolarHBondContact CD2-OG1 3.32Å; Y29-T33 WeakPolarHBondContact CE2-OG1 3.43Å; Y29-T33 WeakPolarHBondContact O-CB 3.3Å; Y29-T33 PolarHBondContact O-N 3.1Å; Y29-T33 PolarHBondContact O-OG1 3.35Å; R30-T33 PolarHBondContact O-N 3.26Å; T33-T37 WeakPolarHBondContact O-CB 3.27Å; T33-T37 PolarHBondContact O-N 2.88Å; T33-T37 PolarHBondContact O-OG1 3.3Å; T33-E72 HydrophobicContact CG2-CG 4.25Å; T33-E72 VanDerWaalsContact CG2-OE1 3.24Å; T33-E72 WeakPolarHBondContact CG2-OE1 3.44Å
34	E	93.7	Very high	91.8	Very high	50 Å²	50	64.8 Å²	64.8	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-44.5	172.6	-77.7	180	165.5	0	0	111.4	L17 L20 R30 T37 N38	L17-E34 HydrophobicContact CD2-CG 4.32Å; L20-E34 HydrophobicContact CB-CG 4.27Å; L20-E34 HydrophobicContact CD1-CG 3.84Å; R30-E34 HydrophobicContact CG-CG 4.11Å; R30-E34 IonicContact CZ-OE1 3.08Å; R30-E34 VanDerWaalsContact CZ-OE1 3.26Å; R30-E34 IonicContact NE-OE1 2.62Å; R30-E34 PolarHBondContact NE-OE1 3.11Å; R30-E34 IonicContact NE-OE2 3.32Å; R30-E34 IonicContact NH2-OE1 3.94Å; R30-E34 PolarHBondContact NH2-OE1 2.94Å; R30-E34 VanDerWaalsContact O-CB 3.27Å; R30-E34 WeakPolarHBondContact O-CB 3.39Å; R30-E34 VanDerWaalsContact O-CG 3.29Å; R30-E34 WeakPolarHBondContact O-CG 3.28Å; R30-E34 PolarHBondContact O-N 3.07Å; E34-T37 PolarHBondContact O-N 3.33Å; E34-N38 VanDerWaalsContact O-CB 3.27Å; E34-N38 WeakPolarHBondContact O-CB 3.34Å; E34-N38 VanDerWaalsContact O-CG 3.29Å; E34-N38 PolarHBondContact O-N 3.4Å; E34-N38 PolarHBondContact O-ND2 3.12Å
35	Q	94.3	Very high	91.7	Very high	97 Å²	97	69.3 Å²	69.3	45%	0.453	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-55	177.9	-179.3	-178.7	-15.6	0	0	111.1	K31 Y32 T37 N38 E39	K31-Q35 PolarHBondContact O-N 3.35Å; Y32-Q35 PolarHBondContact O-N 3.21Å; Q35-T37 VanDerWaalsContact C-N 3.32Å; Q35-T37 PolarHBondContact O-N 3.33Å; Q35-N38 PolarHBondContact O-N 2.9Å; Q35-E39 VanDerWaalsContact CG-OE1 3.24Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.33Å; Q35-E39 PolarHBondContact NE2-OE1 2.62Å; Q35-E39 WeakPolarHBondContact O-CG 3.5Å; Q35-E39 PolarHBondContact O-N 3.48Å
36	I	93.3	Very high	91.7	Very high	82 Å²	82	64.7 Å²	64.7	42%	0.421	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-43.3	-178.4	-65.8	165.3	0	0	0	110.9	Y32 E39 K40	Y32-I36 VanDerWaalsContact O-CG1 3.32Å; Y32-I36 WeakPolarHBondContact O-CG1 3.27Å; Y32-I36 PolarHBondContact O-N 3.47Å; I36-E39 PolarHBondContact O-N 3.05Å; I36-K40 HydrophobicContact CG2-CD 4.03Å; I36-K40 HydrophobicContact CG2-CG 4.48Å; I36-K40 WeakPolarHBondContact O-CB 3.37Å; I36-K40 WeakPolarHBondContact O-CG 3.26Å; I36-K40 PolarHBondContact O-N 3.03Å
37	T	94.4	Very high	91.8	Very high	5 Å²	5	60.5 Å²	60.5	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-41.3	-178.8	-58	0	0	0	0	111.4	Y13 I16 L17 T33 E34 Q35 L41	Y13-T37 HydrophobicContact CD1-CG2 3.75Å; Y13-T37 HydrophobicContact CG-CG2 4.13Å; I16-T37 HydrophobicContact CB-CG2 4.47Å; I16-T37 HydrophobicContact CG2-CG2 4.32Å; L17-T37 HydrophobicContact CD1-CG2 4.32Å; L17-T37 HydrophobicContact CD2-CG2 3.95Å; L17-T37 HydrophobicContact CG-CG2 3.82Å; T33-T37 WeakPolarHBondContact O-CB 3.27Å; T33-T37 PolarHBondContact O-N 2.88Å; T33-T37 PolarHBondContact O-OG1 3.3Å; E34-T37 PolarHBondContact O-N 3.33Å; Q35-T37 VanDerWaalsContact C-N 3.32Å; Q35-T37 PolarHBondContact O-N 3.33Å; T37-L41 WeakPolarHBondContact O-CB 3.4Å; T37-L41 PolarHBondContact O-N 3.19Å
38	N	94.3	Very high	91.5	Very high	81 Å²	81	65.6 Å²	65.6	43%	0.433	34%	0.343	S	S	.	.	H	α-helix	trans	-68	-42.8	177.8	-78.5	-45.3	0	0	0	112.2	E34 Q35 L41 A42	E34-N38 VanDerWaalsContact O-CB 3.27Å; E34-N38 WeakPolarHBondContact O-CB 3.34Å; E34-N38 VanDerWaalsContact O-CG 3.29Å; E34-N38 PolarHBondContact O-N 3.4Å; E34-N38 PolarHBondContact O-ND2 3.12Å; Q35-N38 PolarHBondContact O-N 2.9Å; N38-L41 PolarHBondContact O-N 3.32Å; N38-A42 WeakPolarHBondContact O-CB 3.47Å; N38-A42 PolarHBondContact O-N 2.79Å
39	E	93.3	Very high	91.4	Very high	91 Å²	91	66 Å²	66	43%	0.425	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-50.1	175.4	-73.7	172	-171.6	0	0	110.9	Q35 I36 L41 A42 M43	Q35-E39 VanDerWaalsContact CG-OE1 3.24Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.33Å; Q35-E39 PolarHBondContact NE2-OE1 2.62Å; Q35-E39 WeakPolarHBondContact O-CG 3.5Å; Q35-E39 PolarHBondContact O-N 3.48Å; I36-E39 PolarHBondContact O-N 3.05Å; E39-L41 PolarHBondContact O-N 3.32Å; E39-A42 WeakPolarHBondContact O-CB 3.39Å; E39-A42 PolarHBondContact O-N 3.18Å; E39-M43 HydrophobicContact CB-CE 4.04Å; E39-M43 WeakPolarHBondContact O-CG 3.23Å; E39-M43 PolarHBondContact O-N 2.92Å
40	K	91.2	Very high	91.1	Very high	65 Å²	65	65 Å²	65	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-40.9	177.8	-71.1	-177.3	178.5	-178	0	112.1	Y13 I36 A42 M43 V44 L57	Y13-K40 HydrophobicContact CE1-CB 4.35Å; Y13-K40 HydrophobicContact CE1-CD 4.45Å; Y13-K40 HydrophobicContact CE2-CB 4.16Å; I36-K40 HydrophobicContact CG2-CD 4.03Å; I36-K40 HydrophobicContact CG2-CG 4.48Å; I36-K40 WeakPolarHBondContact O-CB 3.37Å; I36-K40 WeakPolarHBondContact O-CG 3.26Å; I36-K40 PolarHBondContact O-N 3.03Å; K40-A42 VanDerWaalsContact C-N 3.32Å; K40-A42 PolarHBondContact O-N 3.13Å; K40-M43 PolarHBondContact O-N 2.77Å; K40-V44 VanDerWaalsContact O-CG2 3.26Å; K40-V44 WeakPolarHBondContact O-CG2 3.36Å; K40-V44 PolarHBondContact O-N 3.03Å; K40-L57 HydrophobicContact CB-CD2 4.3Å; K40-L57 HydrophobicContact CD-CD2 4.24Å; K40-L57 HydrophobicContact CG-CD2 3.89Å
41	L	92.6	Very high	90.8	Very high	11 Å²	11	71 Å²	71	6%	0.058	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-37.9	176.5	-178.1	61.6	0	0	0	111.9	R10 Y13 L17 T37 N38 E39 K45	R10-L41 HydrophobicContact CB-CD1 4.46Å; R10-L41 HydrophobicContact CG-CD1 4.05Å; Y13-L41 HydrophobicContact CD2-CB 4.37Å; Y13-L41 HydrophobicContact CD2-CD1 4.24Å; L17-L41 HydrophobicContact CD1-CD2 4.3Å; T37-L41 WeakPolarHBondContact O-CB 3.4Å; T37-L41 PolarHBondContact O-N 3.19Å; N38-L41 PolarHBondContact O-N 3.32Å; E39-L41 PolarHBondContact O-N 3.32Å; L41-K45 HydrophobicContact CG-CD 4.42Å; L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 3.19Å; L41-K45 VanDerWaalsContact O-N 3.1Å
42	A	92.8	Very high	90.6	Very high	56 Å²	56	70.6 Å²	70.6	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-45	175.3	0	0	0	0	0	111.3	N38 E39 K40 V44 K45 A46	N38-A42 WeakPolarHBondContact O-CB 3.47Å; N38-A42 PolarHBondContact O-N 2.79Å; E39-A42 WeakPolarHBondContact O-CB 3.39Å; E39-A42 PolarHBondContact O-N 3.18Å; K40-A42 VanDerWaalsContact C-N 3.32Å; K40-A42 PolarHBondContact O-N 3.13Å; A42-V44 PolarHBondContact O-N 2.88Å; A42-K45 PolarHBondContact O-N 3.39Å; A42-K45 VanDerWaalsContact O-N 3.17Å; A42-A46 WeakPolarHBondContact O-CB 3.22Å; A42-A46 PolarHBondContact O-N 2.98Å
43	M	90.4	Very high	90.3	Very high	46 Å²	46	64 Å²	64	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-59.2	-45.8	175.3	-67	-178.1	-119	0	0	112.1	E39 K40 K45 A46 E47 L53 Q56	E39-M43 HydrophobicContact CB-CE 4.04Å; E39-M43 WeakPolarHBondContact O-CG 3.23Å; E39-M43 PolarHBondContact O-N 2.92Å; K40-M43 PolarHBondContact O-N 2.77Å; M43-K45 PolarHBondContact O-N 2.89Å; M43-A46 PolarHBondContact O-N 3.3Å; M43-E47 PolarHBondContact O-N 3.29Å; M43-E47 VanDerWaalsContact O-N 3.08Å; M43-L53 HydrophobicContact CB-CD1 4.28Å; M43-Q56 HydrophobicContact SD-CG 3.98Å
44	V	89.4	Confident	90	Very high	7 Å²	7	65.5 Å²	65.5	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-29.9	177.9	173.3	0	0	0	0	112.6	L9 R10 Y13 K40 A42 L53	L9-V44 HydrophobicContact CD1-CG2 4.4Å; R10-V44 HydrophobicContact CG-CG1 3.97Å; Y13-V44 HydrophobicContact CE2-CG2 4.2Å; K40-V44 VanDerWaalsContact O-CG2 3.26Å; K40-V44 WeakPolarHBondContact O-CG2 3.36Å; K40-V44 PolarHBondContact O-N 3.03Å; A42-V44 PolarHBondContact O-N 2.88Å; V44-L53 HydrophobicContact CG2-CD1 4.2Å; V44-L53 HydrophobicContact CG2-CD2 4.11Å
45	K	88.3	Confident	89.8	Confident	142 Å²	142	69.1 Å²	69.1	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-80.1	-35.4	175.7	-74.6	173.8	-179.5	175.7	0	112.5	L41 A42 M43	L41-K45 HydrophobicContact CG-CD 4.42Å; L41-K45 WeakPolarHBondContact O-CG 3.32Å; L41-K45 PolarHBondContact O-N 3.19Å; L41-K45 VanDerWaalsContact O-N 3.1Å; A42-K45 PolarHBondContact O-N 3.39Å; A42-K45 VanDerWaalsContact O-N 3.17Å; M43-K45 PolarHBondContact O-N 2.89Å
46	A	89.8	Confident	89.4	Confident	77 Å²	77	69.2 Å²	69.2	64%	0.636	36%	0.362	S	S	*	.	H	α-helix	trans	-74.5	-45.9	-175.3	0	0	0	0	0	112.2	A42 M43 P48	A42-A46 WeakPolarHBondContact O-CB 3.22Å; A42-A46 PolarHBondContact O-N 2.98Å; M43-A46 PolarHBondContact O-N 3.3Å; A46-P48 WeakPolarHBondContact O-CD 3.36Å
47	E	88.2	Confident	89	Confident	43 Å²	43	66.4 Å²	66.4	20%	0.201	35%	0.348	C	S	.	.			trans	-94.5	120.6	-175.4	-173.1	52.3	-128.4	0	0	110.5	K6 M43 D49 K52 L53	K6-E47 PolarHBondContact NZ-O 3.36Å; M43-E47 PolarHBondContact O-N 3.29Å; M43-E47 VanDerWaalsContact O-N 3.08Å; E47-D49 HydrophobicContact CG-CB 4.47Å; E47-D49 VanDerWaalsContact OE1-CB 3.32Å; E47-D49 WeakPolarHBondContact OE1-CB 3.47Å; E47-D49 PolarHBondContact OE1-N 3.15Å; E47-K52 HydrophobicContact CG-CB 3.84Å; E47-L53 HydrophobicContact CB-CB 4.39Å; E47-L53 HydrophobicContact CB-CD1 4.5Å; E47-L53 HydrophobicContact CG-CB 4.21Å
48	P	83.3	Confident	88.3	Confident	111 Å²	111	74.8 Å²	74.8	72%	0.721	39%	0.387	S	S	*	.			trans	-81.2	-27.7	175.8	30	-34.7	0	0	0	113.2	K6 A46	K6-P48 PolarHBondContact NZ-O 3.44Å; A46-P48 WeakPolarHBondContact O-CD 3.36Å
49	D	87.8	Confident	87.4	Confident	72 Å²	72	72.6 Å²	72.6	39%	0.385	38%	0.384	S	S	.	.			trans	-73.6	149.1	176.1	-165.1	-2	0	0	0	111.1	K6 E47 K51 K52 L53	K6-D49 PolarHBondContact NZ-O 3.27Å; E47-D49 HydrophobicContact CG-CB 4.47Å; E47-D49 VanDerWaalsContact OE1-CB 3.32Å; E47-D49 WeakPolarHBondContact OE1-CB 3.47Å; E47-D49 PolarHBondContact OE1-N 3.15Å; D49-K51 PolarHBondContact OD1-N 3.28Å; D49-K52 HydrophobicContact CB-CB 4.25Å; D49-K52 HydrophobicContact CB-CD 4.27Å; D49-K52 HydrophobicContact CB-CG 4.28Å; D49-L53 VanDerWaalsContact O-CB 3.25Å; D49-L53 WeakPolarHBondContact O-CB 3.25Å
50	V	84.8	Confident	87	Confident	23 Å²	23	70.3 Å²	70.3	14%	0.139	39%	0.385	C	S	.	.	S	Bend	trans	-85.1	-42.6	176.2	171.1	0	0	0	0	110.8	A2 K6 K52 L53 E54 L62	A2-V50 HydrophobicContact CB-CB 4.5Å; A2-V50 HydrophobicContact CB-CG2 3.52Å; K6-V50 HydrophobicContact CD-CG2 4.31Å; V50-K52 PolarHBondContact O-N 2.88Å; V50-L53 WeakPolarHBondContact O-CB 2.94Å; V50-L53 PolarHBondContact O-N 3.45Å; V50-L53 VanDerWaalsContact O-N 3.12Å; V50-E54 HydrophobicContact CG1-CG 4.28Å; V50-E54 WeakPolarHBondContact O-CG 3.24Å; V50-E54 PolarHBondContact O-N 2.99Å; V50-L62 HydrophobicContact CG1-CB 4.38Å; V50-L62 HydrophobicContact CG1-CD2 4.04Å; V50-L62 HydrophobicContact CG2-CD2 4.33Å
51	K	85.9	Confident	86.9	Confident	152 Å²	152	72.9 Å²	72.9	66%	0.661	40%	0.397	S	S	*	.	H	α-helix	trans	-63.3	-48	-176.4	-70	-173.6	174.7	-172.8	0	112	D49 L53 E54 D55	D49-K51 PolarHBondContact OD1-N 3.28Å; K51-L53 PolarHBondContact O-N 2.91Å; K51-E54 WeakPolarHBondContact O-CB 3.24Å; K51-E54 PolarHBondContact O-N 3.41Å; K51-D55 PolarHBondContact O-N 3.2Å
52	K	87.2	Confident	86.7	Confident	121 Å²	121	72.3 Å²	72.3	53%	0.526	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-34.2	174.9	-65.7	-177.1	179.7	-178.8	0	112.9	E47 D49 V50 Q56	E47-K52 HydrophobicContact CG-CB 3.84Å; D49-K52 HydrophobicContact CB-CB 4.25Å; D49-K52 HydrophobicContact CB-CD 4.27Å; D49-K52 HydrophobicContact CB-CG 4.28Å; V50-K52 PolarHBondContact O-N 2.88Å; K52-Q56 WeakPolarHBondContact O-CB 3.32Å; K52-Q56 PolarHBondContact O-N 2.69Å
53	L	87.9	Confident	86.5	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-68.7	-39.8	177.4	176	66.3	0	0	0	111.2	M43 V44 E47 D49 V50 K51 Q56 L57 L62	M43-L53 HydrophobicContact CB-CD1 4.28Å; V44-L53 HydrophobicContact CG2-CD1 4.2Å; V44-L53 HydrophobicContact CG2-CD2 4.11Å; E47-L53 HydrophobicContact CB-CB 4.39Å; E47-L53 HydrophobicContact CB-CD1 4.5Å; E47-L53 HydrophobicContact CG-CB 4.21Å; D49-L53 VanDerWaalsContact O-CB 3.25Å; D49-L53 WeakPolarHBondContact O-CB 3.25Å; V50-L53 WeakPolarHBondContact O-CB 2.94Å; V50-L53 PolarHBondContact O-N 3.45Å; V50-L53 VanDerWaalsContact O-N 3.12Å; K51-L53 PolarHBondContact O-N 2.91Å; L53-Q56 PolarHBondContact O-N 3.18Å; L53-L57 HydrophobicContact CD1-CD1 3.71Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CD2-CD1 4.3Å; L53-L57 HydrophobicContact CG-CD1 3.69Å; L53-L57 WeakPolarHBondContact O-CB 3.18Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 2.88Å; L53-L62 HydrophobicContact CD2-CD1 3.89Å; L53-L62 HydrophobicContact CG-CD1 4.46Å
54	E	88.3	Confident	86.5	Confident	44 Å²	44	77.4 Å²	77.4	21%	0.206	41%	0.408	C	S	.	.	H	α-helix	trans	-61.8	-46.1	174.3	-70.7	170.6	154.6	0	0	111	V50 K51 Q56 L57 Q58 L62	V50-E54 HydrophobicContact CG1-CG 4.28Å; V50-E54 WeakPolarHBondContact O-CG 3.24Å; V50-E54 PolarHBondContact O-N 2.99Å; K51-E54 WeakPolarHBondContact O-CB 3.24Å; K51-E54 PolarHBondContact O-N 3.41Å; E54-Q56 VanDerWaalsContact C-N 3.3Å; E54-Q56 PolarHBondContact O-N 2.96Å; E54-L57 PolarHBondContact O-N 3.34Å; E54-Q58 PolarHBondContact O-N 3.37Å; E54-L62 HydrophobicContact CG-CB 4.3Å; E54-L62 PolarHBondContact OE1-N 3.35Å
55	D	87.9	Confident	86.6	Confident	125 Å²	125	77.7 Å²	77.7	67%	0.668	41%	0.41	S	S	*	.	H	α-helix	trans	-60.5	-39.4	176	-66.5	-29.3	0	0	0	112.1	K51 Q58	K51-D55 PolarHBondContact O-N 3.2Å; D55-Q58 WeakPolarHBondContact O-CG 3.35Å
56	Q	86.5	Confident	86.8	Confident	99 Å²	99	71.8 Å²	71.8	46%	0.463	39%	0.385	S	S	.	.	H	α-helix	trans	-74.4	-37.1	179.6	-171.2	175.4	-1.8	0	0	112.9	M43 K52 L53 E54 Q58	M43-Q56 HydrophobicContact SD-CG 3.98Å; K52-Q56 WeakPolarHBondContact O-CB 3.32Å; K52-Q56 PolarHBondContact O-N 2.69Å; L53-Q56 PolarHBondContact O-N 3.18Å; E54-Q56 VanDerWaalsContact C-N 3.3Å; E54-Q56 PolarHBondContact O-N 2.96Å; Q56-Q58 VanDerWaalsContact C-N 3.29Å
57	L	84	Confident	87	Confident	24 Å²	24	72.4 Å²	72.4	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-72.9	-22.1	177.8	-85.4	159.8	0	0	0	112.6	K40 L53 E54 G59 L62 V65	K40-L57 HydrophobicContact CB-CD2 4.3Å; K40-L57 HydrophobicContact CD-CD2 4.24Å; K40-L57 HydrophobicContact CG-CD2 3.89Å; L53-L57 HydrophobicContact CD1-CD1 3.71Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CD2-CD1 4.3Å; L53-L57 HydrophobicContact CG-CD1 3.69Å; L53-L57 WeakPolarHBondContact O-CB 3.18Å; L53-L57 WeakPolarHBondContact O-CG 3.35Å; L53-L57 PolarHBondContact O-N 2.88Å; E54-L57 PolarHBondContact O-N 3.34Å; L57-G59 PolarHBondContact O-N 3.35Å; L57-L62 HydrophobicContact CD1-CD1 4.37Å; L57-V65 HydrophobicContact CD1-CG1 4.42Å
58	Q	81.1	Confident	87.2	Confident	180 Å²	180	75.4 Å²	75.4	84%	0.841	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	32.3	-176.9	-60.7	-174.3	-14.2	0	0	113.1	E54 D55 Q56	E54-Q58 PolarHBondContact O-N 3.37Å; D55-Q58 WeakPolarHBondContact O-CG 3.35Å; Q56-Q58 VanDerWaalsContact C-N 3.29Å
59	G	74.2	Confident	87.7	Confident	36 Å²	36	70.3 Å²	70.3	37%	0.371	36%	0.358	S	S	.	.	S	Bend	trans	-115.3	17.2	-170.1	0	0	0	0	0	114.2	L57	L57-G59 PolarHBondContact O-N 3.35Å
60	G	86.2	Confident	88	Confident	43 Å²	43	69.9 Å²	69.9	44%	0.443	35%	0.354	S	S	.	.	S	Bend	trans	79.6	-144.7	-172	0	0	0	0	0	112.2
61	Q	88.9	Confident	88.6	Confident	118 Å²	118	73.7 Å²	73.7	55%	0.551	37%	0.37	S	S	*	.	S	Bend	trans	-76	153.6	178.8	-66.2	-177	-3.7	0	0	111.4	E63 E64 V65	Q61-E63 PolarHBondContact O-N 2.66Å; Q61-E63 VanDerWaalsContact O-N 3.14Å; Q61-E64 WeakPolarHBondContact O-CB 3.15Å; Q61-E64 PolarHBondContact O-N 3.06Å; Q61-V65 PolarHBondContact O-N 3.12Å
62	L	87.4	Confident	89	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-29.9	-178.9	-159	70.1	0	0	0	112.9	L5 K6 L9 V50 L53 E54 L57 V65 I66	L5-L62 HydrophobicContact CB-CD2 3.63Å; L5-L62 HydrophobicContact CB-CG 4.44Å; L5-L62 HydrophobicContact CD1-CD2 4.3Å; K6-L62 HydrophobicContact CG-CD2 4.17Å; L9-L62 HydrophobicContact CD1-CD1 3.44Å; L9-L62 VanDerWaalsContact CD1-CD1 3.44Å; L9-L62 HydrophobicContact CD1-CD2 4.3Å; L9-L62 HydrophobicContact CD1-CG 3.77Å; V50-L62 HydrophobicContact CG1-CB 4.38Å; V50-L62 HydrophobicContact CG1-CD2 4.04Å; V50-L62 HydrophobicContact CG2-CD2 4.33Å; L53-L62 HydrophobicContact CD2-CD1 3.89Å; L53-L62 HydrophobicContact CG-CD1 4.46Å; E54-L62 HydrophobicContact CG-CB 4.3Å; E54-L62 PolarHBondContact OE1-N 3.35Å; L57-L62 HydrophobicContact CD1-CD1 4.37Å; L62-V65 PolarHBondContact O-N 3.05Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3.14Å
63	E	89.2	Confident	89.3	Confident	96 Å²	96	63.4 Å²	63.4	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-42.2	173.8	-70.8	80.4	179.4	0	0	112.6	L5 Q61 V65 I66 L67	L5-E63 HydrophobicContact CD1-CG 4.48Å; L5-E63 VanDerWaalsContact CD1-OE1 3.25Å; L5-E63 WeakPolarHBondContact CD1-OE1 3.24Å; Q61-E63 PolarHBondContact O-N 2.66Å; Q61-E63 VanDerWaalsContact O-N 3.14Å; E63-V65 VanDerWaalsContact C-N 3.33Å; E63-I66 WeakPolarHBondContact O-CB 3.42Å; E63-I66 PolarHBondContact O-N 3.35Å; E63-L67 PolarHBondContact O-N 3.48Å
64	E	90.3	Very high	89.7	Confident	113 Å²	113	67.2 Å²	67.2	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-38.3	176.6	-64.2	178.8	167.6	0	0	110.7	Q61 I66 L67 Q68	Q61-E64 WeakPolarHBondContact O-CB 3.15Å; Q61-E64 PolarHBondContact O-N 3.06Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 PolarHBondContact O-N 2.81Å; E64-L67 PolarHBondContact O-N 3.26Å; E64-Q68 WeakPolarHBondContact O-CB 3.37Å; E64-Q68 PolarHBondContact O-N 3.45Å
65	V	91.8	Very high	90	Very high	12 Å²	12	68.1 Å²	68.1	7%	0.073	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-37.5	174.6	-177.8	0	0	0	0	111.4	L9 L57 Q61 L62 E63 Q68 A69	L9-V65 HydrophobicContact CD1-CG1 4.48Å; L9-V65 HydrophobicContact CD2-CG1 4.02Å; L57-V65 HydrophobicContact CD1-CG1 4.42Å; Q61-V65 PolarHBondContact O-N 3.12Å; L62-V65 PolarHBondContact O-N 3.05Å; E63-V65 VanDerWaalsContact C-N 3.33Å; V65-Q68 PolarHBondContact O-N 3.23Å; V65-A69 WeakPolarHBondContact O-CB 3.43Å; V65-A69 PolarHBondContact O-N 3.46Å
66	I	91.9	Very high	90.2	Very high	18 Å²	18	62.1 Å²	62.1	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-47.7	173.8	-73.8	164.9	0	0	0	110.5	L5 R8 L9 L12 L62 E63 E64 Q68 A69 E70	L5-I66 HydrophobicContact CB-CD1 3.81Å; L5-I66 HydrophobicContact CD2-CD1 3.64Å; L5-I66 HydrophobicContact CG-CD1 4.27Å; R8-I66 HydrophobicContact CG-CG2 4.23Å; L9-I66 HydrophobicContact CD1-CG1 4.2Å; L9-I66 HydrophobicContact CD2-CB 4.31Å; L9-I66 HydrophobicContact CD2-CG1 3.51Å; L9-I66 HydrophobicContact CG-CD1 4.24Å; L9-I66 HydrophobicContact CG-CG1 3.49Å; L9-I66 VanDerWaalsContact CG-CG1 3.49Å; L12-I66 HydrophobicContact CD1-CG2 3.93Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3.14Å; E63-I66 WeakPolarHBondContact O-CB 3.42Å; E63-I66 PolarHBondContact O-N 3.35Å; E64-I66 VanDerWaalsContact C-N 3.31Å; E64-I66 PolarHBondContact O-N 2.81Å; I66-Q68 VanDerWaalsContact C-N 3.3Å; I66-Q68 PolarHBondContact O-N 2.96Å; I66-A69 PolarHBondContact O-N 2.89Å; I66-A69 VanDerWaalsContact O-N 3.13Å; I66-E70 WeakPolarHBondContact O-CG 3.46Å; I66-E70 PolarHBondContact O-N 3.48Å
67	L	93.7	Very high	90.5	Very high	91 Å²	91	63.6 Å²	63.6	48%	0.476	32%	0.322	S	S	.	.	H	α-helix	trans	-59.3	-43.8	178.2	-177.9	64.1	0	0	0	111	E63 E64 A69 E70 H71	E63-L67 PolarHBondContact O-N 3.48Å; E64-L67 PolarHBondContact O-N 3.26Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 3.31Å; L67-E70 PolarHBondContact O-N 2.96Å; L67-E70 VanDerWaalsContact O-N 3.15Å; L67-H71 PolarHBondContact O-CD2 3.43Å; L67-H71 PolarHBondContact O-N 3.13Å
68	Q	92.7	Very high	90.9	Very high	106 Å²	106	67.6 Å²	67.6	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-59.7	-42.4	174.8	-174.7	61.8	29	0	0	112	E64 V65 I66 E70 H71 E72	E64-Q68 WeakPolarHBondContact O-CB 3.37Å; E64-Q68 PolarHBondContact O-N 3.45Å; V65-Q68 PolarHBondContact O-N 3.23Å; I66-Q68 VanDerWaalsContact C-N 3.3Å; I66-Q68 PolarHBondContact O-N 2.96Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.22Å; Q68-H71 PolarHBondContact O-N 3.44Å; Q68-E72 PolarHBondContact O-N 3.44Å
69	A	94	Very high	91.2	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.033	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-34.1	176.3	0	0	0	0	0	112.3	L9 L12 Y13 I16 V65 I66 L67 E72 L73	L9-A69 HydrophobicContact CD2-CB 4.33Å; L12-A69 HydrophobicContact CB-CB 4.14Å; L12-A69 HydrophobicContact CD1-CB 4.03Å; Y13-A69 HydrophobicContact CE1-CB 4.1Å; I16-A69 HydrophobicContact CD1-CB 4.43Å; V65-A69 WeakPolarHBondContact O-CB 3.43Å; V65-A69 PolarHBondContact O-N 3.46Å; I66-A69 PolarHBondContact O-N 2.89Å; I66-A69 VanDerWaalsContact O-N 3.13Å; L67-A69 VanDerWaalsContact C-N 3.33Å; L67-A69 PolarHBondContact O-N 3.31Å; A69-E72 PolarHBondContact O-N 3.26Å; A69-L73 WeakPolarHBondContact O-CB 3.49Å; A69-L73 PolarHBondContact O-N 3.2Å
70	E	95.2	Very high	91.8	Very high	62 Å²	62	64.5 Å²	64.5	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-68.8	-39	173.4	-69	-171.9	162.8	0	0	112.1	R8 L12 I66 L67 Q68 L73 N74	R8-E70 IonicContact CZ-OE1 2.88Å; R8-E70 IonicContact NE-OE1 3.26Å; R8-E70 IonicContact NH2-OE1 2.75Å; R8-E70 PolarHBondContact NH2-OE1 3.29Å; L12-E70 HydrophobicContact CD1-CG 3.66Å; L12-E70 HydrophobicContact CD2-CG 3.83Å; L12-E70 HydrophobicContact CG-CG 4.42Å; I66-E70 WeakPolarHBondContact O-CG 3.46Å; I66-E70 PolarHBondContact O-N 3.48Å; L67-E70 PolarHBondContact O-N 2.96Å; L67-E70 VanDerWaalsContact O-N 3.15Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.22Å; E70-L73 PolarHBondContact O-N 3Å; E70-N74 PolarHBondContact O-N 2.97Å; E70-N74 PolarHBondContact O-ND2 3.42Å
71	H	95.8	Very high	91.9	Very high	104 Å²	104	69.6 Å²	69.6	48%	0.481	32%	0.321	S	S	.	.	H	α-helix	trans	-63	-43.5	171.7	-71.1	-53.1	0	0	0	112	L67 Q68 L73 N74 L75	L67-H71 PolarHBondContact O-CD2 3.43Å; L67-H71 PolarHBondContact O-N 3.13Å; Q68-H71 PolarHBondContact O-N 3.44Å; H71-L73 VanDerWaalsContact C-N 3.35Å; H71-L73 PolarHBondContact O-N 3.14Å; H71-N74 PolarHBondContact O-N 3.2Å; H71-L75 WeakPolarHBondContact O-CB 3.36Å; H71-L75 PolarHBondContact O-N 2.83Å
72	E	94.6	Very high	91.8	Very high	42 Å²	42	71 Å²	71	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-41.8	176.7	-169.9	62.1	-152.4	0	0	111.6	I16 Y29 T33 Q68 A69 N74 L75 A76	I16-E72 HydrophobicContact CD1-CB 4.1Å; I16-E72 HydrophobicContact CD1-CG 4.19Å; I16-E72 HydrophobicContact CG2-CG 4.5Å; Y29-E72 PolarHBondContact OH-OE1 3.25Å; T33-E72 HydrophobicContact CG2-CG 4.25Å; T33-E72 VanDerWaalsContact CG2-OE1 3.24Å; T33-E72 WeakPolarHBondContact CG2-OE1 3.44Å; Q68-E72 PolarHBondContact O-N 3.44Å; A69-E72 PolarHBondContact O-N 3.26Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.47Å; E72-L75 WeakPolarHBondContact O-CB 3.48Å; E72-L75 PolarHBondContact O-N 2.86Å; E72-A76 WeakPolarHBondContact O-CB 3.07Å; E72-A76 PolarHBondContact O-N 3.06Å
73	L	94.5	Very high	91.7	Very high	14 Å²	14	75.9 Å²	75.9	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-42.4	175.9	-179.2	64	0	0	0	112	L12 K15 I16 V19 A69 E70 H71 R77	L12-L73 HydrophobicContact CD2-CD2 4.22Å; K15-L73 HydrophobicContact CB-CD1 3.99Å; K15-L73 HydrophobicContact CB-CD2 4.3Å; K15-L73 HydrophobicContact CD-CD2 4.45Å; I16-L73 HydrophobicContact CD1-CB 4.44Å; I16-L73 HydrophobicContact CG1-CB 3.82Å; I16-L73 HydrophobicContact CG1-CD1 3.9Å; I16-L73 HydrophobicContact CG1-CG 4.45Å; V19-L73 HydrophobicContact CG2-CD1 4.08Å; A69-L73 WeakPolarHBondContact O-CB 3.49Å; A69-L73 PolarHBondContact O-N 3.2Å; E70-L73 PolarHBondContact O-N 3Å; H71-L73 VanDerWaalsContact C-N 3.35Å; H71-L73 PolarHBondContact O-N 3.14Å; L73-R77 WeakPolarHBondContact O-CG 3.2Å; L73-R77 PolarHBondContact O-N 3.26Å
74	N	95.3	Very high	91	Very high	81 Å²	81	76.3 Å²	76.3	43%	0.433	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-38.1	175.9	-74.3	-32.2	0	0	0	111.9	E70 H71 E72 K78	E70-N74 PolarHBondContact O-N 2.97Å; E70-N74 PolarHBondContact O-ND2 3.42Å; H71-N74 PolarHBondContact O-N 3.2Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.47Å; N74-K78 WeakPolarHBondContact O-CG 3.48Å; N74-K78 PolarHBondContact O-N 2.94Å
75	L	93.9	Very high	90.5	Very high	62 Å²	62	74.5 Å²	74.5	33%	0.325	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-54.2	174.1	-179.4	61.5	0	0	0	109.9	Y29 H71 E72 R77 K78 M79 W82	Y29-L75 HydrophobicContact CE2-CD2 4.37Å; H71-L75 WeakPolarHBondContact O-CB 3.36Å; H71-L75 PolarHBondContact O-N 2.83Å; E72-L75 WeakPolarHBondContact O-CB 3.48Å; E72-L75 PolarHBondContact O-N 2.86Å; L75-R77 PolarHBondContact O-N 3.15Å; L75-R77 VanDerWaalsContact O-N 3.12Å; L75-K78 CarbonylContact O-C 3.53Å; L75-K78 WeakPolarHBondContact O-CA 3.47Å; L75-K78 WeakPolarHBondContact O-CB 3.5Å; L75-K78 PolarHBondContact O-N 3.25Å; L75-M79 HydrophobicContact CD1-CG 4.02Å; L75-M79 HydrophobicContact CD1-SD 3.82Å; L75-M79 HydrophobicContact CG-CG 3.92Å; L75-M79 HydrophobicContact CG-SD 4.21Å; L75-M79 VanDerWaalsContact O-CG 3.22Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 3.42Å; L75-W82 HydrophobicContact CD1-CZ3 4.24Å
76	A	92.7	Very high	90	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-52.4	-39.9	-179.5	0	0	0	0	0	112.7	V19 L20 E72 M79 R80	V19-A76 HydrophobicContact CB-CB 4.46Å; V19-A76 HydrophobicContact CG1-CB 3.84Å; L20-A76 HydrophobicContact CD2-CB 4.45Å; E72-A76 WeakPolarHBondContact O-CB 3.07Å; E72-A76 PolarHBondContact O-N 3.06Å; A76-M79 PolarHBondContact O-N 2.94Å; A76-R80 PolarHBondContact O-N 3.14Å; A76-R80 VanDerWaalsContact O-N 3.14Å
77	R	92.9	Very high	89.5	Confident	129 Å²	129	84 Å²	84	49%	0.487	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-42.8	173.7	-71.6	170.4	175.3	-171.5	-5.6	112.9	V19 L73 L75 R80	V19-R77 HydrophobicContact CG1-CG 4.26Å; V19-R77 HydrophobicContact CG2-CG 4.31Å; L73-R77 WeakPolarHBondContact O-CG 3.2Å; L73-R77 PolarHBondContact O-N 3.26Å; L75-R77 PolarHBondContact O-N 3.15Å; L75-R77 VanDerWaalsContact O-N 3.12Å; R77-R80 WeakPolarHBondContact O-CB 3.45Å; R77-R80 PolarHBondContact O-N 3.01Å
78	K	92.3	Very high	89	Confident	108 Å²	108	86.7 Å²	86.7	47%	0.47	40%	0.404	S	S	.	.	H	α-helix	trans	-68.4	-38.5	174.6	-68.7	179	178.5	-175.8	0	112.1	N74 L75 R80 E81 W82	N74-K78 WeakPolarHBondContact O-CG 3.48Å; N74-K78 PolarHBondContact O-N 2.94Å; L75-K78 CarbonylContact O-C 3.53Å; L75-K78 WeakPolarHBondContact O-CA 3.47Å; L75-K78 WeakPolarHBondContact O-CB 3.5Å; L75-K78 PolarHBondContact O-N 3.25Å; K78-R80 PolarHBondContact O-N 3.31Å; K78-E81 WeakPolarHBondContact O-CB 3.12Å; K78-E81 PolarHBondContact O-N 2.85Å; K78-W82 HydrophobicContact CB-CD2 4.23Å; K78-W82 HydrophobicContact CB-CE3 4.23Å; K78-W82 HydrophobicContact CB-CH2 4.13Å; K78-W82 HydrophobicContact CB-CZ2 4.08Å; K78-W82 HydrophobicContact CB-CZ3 4.19Å; K78-W82 HydrophobicContact CD-CH2 4.03Å; K78-W82 HydrophobicContact CD-CZ2 4.01Å; K78-W82 HydrophobicContact CG-CZ2 4.49Å; K78-W82 PolarHBondContact O-N 3.17Å
79	M	88.6	Confident	88.5	Confident	23 Å²	23	88.6 Å²	88.6	11%	0.113	42%	0.422	C	S	.	.	H	α-helix	trans	-60.3	-33.3	177.9	-60.2	-67.5	-88	0	0	111.3	I23 Y29 L75 A76 W82 K83 L84 W85	I23-M79 HydrophobicContact CD1-CB 4.3Å; Y29-M79 HydrophobicContact CD1-CB 4.16Å; Y29-M79 HydrophobicContact CD1-CE 3.77Å; Y29-M79 HydrophobicContact CD1-CG 4.1Å; Y29-M79 HydrophobicContact CD2-CE 3.46Å; Y29-M79 VanDerWaalsContact CD2-CE 3.46Å; Y29-M79 HydrophobicContact CE1-CB 3.87Å; Y29-M79 HydrophobicContact CE1-CE 4.07Å; Y29-M79 HydrophobicContact CE1-CG 3.62Å; Y29-M79 HydrophobicContact CE2-CE 3.79Å; Y29-M79 HydrophobicContact CE2-CG 4.4Å; Y29-M79 HydrophobicContact CG-CE 3.45Å; Y29-M79 VanDerWaalsContact CG-CE 3.45Å; L75-M79 HydrophobicContact CD1-CG 4.02Å; L75-M79 HydrophobicContact CD1-SD 3.82Å; L75-M79 HydrophobicContact CG-CG 3.92Å; L75-M79 HydrophobicContact CG-SD 4.21Å; L75-M79 VanDerWaalsContact O-CG 3.22Å; L75-M79 WeakPolarHBondContact O-CG 3.46Å; L75-M79 PolarHBondContact O-N 3.42Å; A76-M79 PolarHBondContact O-N 2.94Å; M79-W82 HydrophobicContact SD-CE3 4Å; M79-W82 HydrophobicContact SD-CZ3 4.29Å; M79-K83 PolarHBondContact O-N 3.14Å; M79-K83 VanDerWaalsContact O-N 3.14Å; M79-L84 HydrophobicContact CE-CD1 3.3Å; M79-L84 HydrophobicContact SD-CD1 3.12Å; M79-L84 WeakPolarHBondContact SD-CD1 3.4Å; M79-W85 WeakPolarHBondContact O-CZ3 3.39Å
80	R	86.5	Confident	88	Confident	128 Å²	128	96.2 Å²	96.2	48%	0.483	46%	0.457	S	S	.	.	H	α-helix	trans	-59.9	-43.9	171.4	-177.7	-170.9	175.5	174	1.3	112.2	E22 A76 R77 K78	E22-R80 VanDerWaalsContact CD-CZ 3.41Å; E22-R80 IonicContact OE1-CZ 3.51Å; E22-R80 IonicContact OE1-NH1 2.77Å; E22-R80 PolarHBondContact OE1-NH1 2.91Å; E22-R80 IonicContact OE1-NH2 3.58Å; E22-R80 WeakPolarHBondContact OE2-CD 3.43Å; E22-R80 IonicContact OE2-CZ 3.33Å; E22-R80 IonicContact OE2-NE 3.79Å; E22-R80 PolarHBondContact OE2-NE 2.94Å; E22-R80 IonicContact OE2-NH1 2.79Å; E22-R80 PolarHBondContact OE2-NH1 2.94Å; E22-R80 IonicContact OE2-NH2 3.53Å; A76-R80 PolarHBondContact O-N 3.14Å; A76-R80 VanDerWaalsContact O-N 3.14Å; R77-R80 WeakPolarHBondContact O-CB 3.45Å; R77-R80 PolarHBondContact O-N 3.01Å; K78-R80 PolarHBondContact O-N 3.31Å
81	E	88.4	Confident	87.4	Confident	150 Å²	150	101.7 Å²	101.7	70%	0.701	48%	0.483	S	S	*	.	H	α-helix	trans	-72.2	-39.6	179.4	-64.8	176.1	-177.6	0	0	111.9	K78	K78-E81 WeakPolarHBondContact O-CB 3.12Å; K78-E81 PolarHBondContact O-N 2.85Å
82	W	87.2	Confident	86.9	Confident	148 Å²	148	100 Å²	100	56%	0.561	48%	0.481	S	S	*	.	H	α-helix	trans	-76.6	-19	-175.6	-64.9	-20.3	0	0	0	114.8	L75 K78 M79 L84	L75-W82 HydrophobicContact CD1-CZ3 4.24Å; K78-W82 HydrophobicContact CB-CD2 4.23Å; K78-W82 HydrophobicContact CB-CE3 4.23Å; K78-W82 HydrophobicContact CB-CH2 4.13Å; K78-W82 HydrophobicContact CB-CZ2 4.08Å; K78-W82 HydrophobicContact CB-CZ3 4.19Å; K78-W82 HydrophobicContact CD-CH2 4.03Å; K78-W82 HydrophobicContact CD-CZ2 4.01Å; K78-W82 HydrophobicContact CG-CZ2 4.49Å; K78-W82 PolarHBondContact O-N 3.17Å; M79-W82 HydrophobicContact SD-CE3 4Å; M79-W82 HydrophobicContact SD-CZ3 4.29Å; W82-L84 VanDerWaalsContact C-N 3.26Å; W82-L84 HydrophobicContact CB-CD1 4.26Å; W82-L84 HydrophobicContact CB-CG 3.98Å; W82-L84 HydrophobicContact CE3-CD1 4.04Å; W82-L84 PolarHBondContact O-N 2.9Å; W82-L84 VanDerWaalsContact O-N 3.17Å
83	K	84	Confident	86.6	Confident	102 Å²	102	102 Å²	102	44%	0.443	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	45.4	178.5	-56.5	-174.7	-175.8	173.5	0	114.2	M79 W85 E86	M79-K83 PolarHBondContact O-N 3.14Å; M79-K83 VanDerWaalsContact O-N 3.14Å; K83-W85 HydrophobicContact CB-CH2 4.3Å; K83-W85 HydrophobicContact CB-CZ2 3.85Å; K83-W85 HydrophobicContact CG-CH2 4.17Å; K83-W85 HydrophobicContact CG-CZ2 3.74Å; K83-W85 PolarHBondContact O-N 2.8Å; K83-E86 HydrophobicContact CB-CG 4.23Å; K83-E86 WeakPolarHBondContact CD-OE1 3.47Å; K83-E86 WeakPolarHBondContact O-CB 3.22Å; K83-E86 WeakPolarHBondContact O-CG 3.42Å; K83-E86 PolarHBondContact O-N 2.85Å
84	L	75	Confident	85.9	Confident	106 Å²	106	106 Å²	106	56%	0.555	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-5.3	-175.7	-69.4	156.7	0	0	0	115.5	M79 W82 E86	M79-L84 HydrophobicContact CE-CD1 3.3Å; M79-L84 HydrophobicContact SD-CD1 3.12Å; M79-L84 WeakPolarHBondContact SD-CD1 3.4Å; W82-L84 VanDerWaalsContact C-N 3.26Å; W82-L84 HydrophobicContact CB-CD1 4.26Å; W82-L84 HydrophobicContact CB-CG 3.98Å; W82-L84 HydrophobicContact CE3-CD1 4.04Å; W82-L84 PolarHBondContact O-N 2.9Å; W82-L84 VanDerWaalsContact O-N 3.17Å; L84-E86 VanDerWaalsContact C-N 3.26Å
85	W	80.3	Confident	85.4	Confident	75 Å²	75	108.6 Å²	108.6	28%	0.284	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.8	172.7	55.4	78.5	0	0	0	113	I23 P24 A27 M79 K83	I23-W85 HydrophobicContact CB-CZ3 4.34Å; I23-W85 HydrophobicContact CD1-CZ3 4.43Å; I23-W85 HydrophobicContact CG1-CH2 4.41Å; I23-W85 HydrophobicContact CG1-CZ3 4.14Å; I23-W85 HydrophobicContact CG2-CE3 3.79Å; I23-W85 HydrophobicContact CG2-CH2 4.27Å; I23-W85 HydrophobicContact CG2-CZ3 3.61Å; P24-W85 HydrophobicContact CG-CD2 4.24Å; P24-W85 HydrophobicContact CG-CG 4.48Å; P24-W85 HydrophobicContact CG-CZ2 4.07Å; A27-W85 HydrophobicContact CB-CB 3.74Å; A27-W85 HydrophobicContact CB-CD2 4.39Å; A27-W85 HydrophobicContact CB-CE3 4.17Å; A27-W85 HydrophobicContact CB-CG 4.27Å; M79-W85 WeakPolarHBondContact O-CZ3 3.39Å; K83-W85 HydrophobicContact CB-CH2 4.3Å; K83-W85 HydrophobicContact CB-CZ2 3.85Å; K83-W85 HydrophobicContact CG-CH2 4.17Å; K83-W85 HydrophobicContact CG-CZ2 3.74Å; K83-W85 PolarHBondContact O-N 2.8Å
86	E	80.8	Confident	85	Confident	112 Å²	112	110.9 Å²	110.9	52%	0.523	56%	0.556	S	S	.	*	S	Bend	trans	-73.6	150.9	170	-68.2	177	178.8	0	0	110.3	K83 L84	K83-E86 HydrophobicContact CB-CG 4.23Å; K83-E86 WeakPolarHBondContact CD-OE1 3.47Å; K83-E86 WeakPolarHBondContact O-CB 3.22Å; K83-E86 WeakPolarHBondContact O-CG 3.42Å; K83-E86 PolarHBondContact O-N 2.85Å; L84-E86 VanDerWaalsContact C-N 3.26Å
87	P	82.2	Confident	84.8	Confident	116 Å²	116	120.1 Å²	120.1	75%	0.753	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-57.1	161.2	175	-22.7	33.5	0	0	0	112.5	V89	P87-V89 PolarHBondContact O-N 3.27Å
88	L	83	Confident	84.2	Confident	149 Å²	149	119.9 Å²	119.9	78%	0.78	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-50.2	129	173	-75.2	140	0	0	0	110.3	E90	L88-E90 VanDerWaalsContact C-N 3.31Å
89	V	80.6	Confident	83.5	Confident	146 Å²	146	125.4 Å²	125.4	89%	0.885	61%	0.611	S	S	*	*	S	Bend	trans	-64.9	-39.8	-179.9	-176.8	0	0	0	0	110.6	P87	P87-V89 PolarHBondContact O-N 3.27Å
90	E	84.1	Confident	83.4	Confident	164 Å²	164	129 Å²	129	77%	0.766	64%	0.636	S	S	*	*	S	Bend	trans	-140.4	138.9	177.2	-67.7	-176.7	166.5	0	0	110.1	L88	L88-E90 VanDerWaalsContact C-N 3.31Å
91	E	82.9	Confident	82.4	Confident	177 Å²	177	131.9 Å²	131.9	83%	0.827	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-75.6	139.7	170.1	-66.7	-172.8	171.4	0	0	109.7
92	P	86.4	Confident	82.1	Confident	68 Å²	68	131 Å²	131	44%	0.442	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-66.3	143.5	178.6	28.2	-33.9	0	0	0	111
93	P	87.2	Confident	81.8	Confident	84 Å²	84	130.1 Å²	130.1	55%	0.545	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-52.2	144.7	165.4	-22	31.2	0	0	0	111.7	D95 Q96	P93-D95 PolarHBondContact O-N 3.05Å; P93-Q96 HydrophobicContact CB-CB 4.45Å; P93-Q96 WeakPolarHBondContact O-CB 3.39Å; P93-Q96 PolarHBondContact O-N 3.01Å
94	A	80.6	Confident	81.7	Confident	98 Å²	98	131.7 Å²	131.7	81%	0.81	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-30.2	-173.2	0	0	0	0	0	114.3
95	D	83.3	Confident	82.1	Confident	135 Å²	135	133.2 Å²	133.2	72%	0.722	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-6.1	-177.2	-59.7	-39.9	0	0	0	113.7	P93 W97	P93-D95 PolarHBondContact O-N 3.05Å; D95-W97 VanDerWaalsContact C-N 3.3Å; D95-W97 PolarHBondContact O-N 3.3Å
96	Q	87.1	Confident	82.2	Confident	111 Å²	111	136.8 Å²	136.8	52%	0.519	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-29.6	-172.2	-177	161.8	-22.6	0	0	113.4	P93	P93-Q96 HydrophobicContact CB-CB 4.45Å; P93-Q96 WeakPolarHBondContact O-CB 3.39Å; P93-Q96 PolarHBondContact O-N 3.01Å
97	W	86.8	Confident	82.3	Confident	194 Å²	194	138.5 Å²	138.5	74%	0.735	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	16.3	-176.2	-53.5	113.4	0	0	0	113.8	D95	D95-W97 VanDerWaalsContact C-N 3.3Å; D95-W97 PolarHBondContact O-N 3.3Å
98	K	81.8	Confident	82.3	Confident	123 Å²	123	140.1 Å²	140.1	54%	0.535	72%	0.716	S	S	.	*			trans	-82.3	119.2	178.2	-168.4	-169.6	177	-147.7	0	110.7	I101	K98-I101 PolarHBondContact NZ-OXT 2.8Å
99	W	77.4	Confident	82.3	Confident	224 Å²	224	139.4 Å²	139.4	85%	0.848	71%	0.711	S	S	*	*			trans	-146.9	136.6	174.4	-173.1	-98.3	0	0	0	112.5
100	P	86.3	Confident	82.4	Confident	98 Å²	98	138.8 Å²	138.8	64%	0.636	70%	0.697	S	S	*	*			cis	-73.6	168.3	-11.4	30.6	-31	0	0	0	112.3
101	I	65.5	Low	82.3	Confident	190 Å²	190	136.5 Å²	136.5	97%	0.974	69%	0.69	S	S	*	*			trans	-64	0	-176	-64.4	169.3	0	0	0	111.5	K98	K98-I101 PolarHBondContact NZ-OXT 2.8Å

Retrieved 101 of 101 residues in 54.8 ms (Link to these results)

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