A0A077ZQL6_TRITR Loading...

NADH:ubiquinone reductase (H(+)-translocating)

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for 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 A0A077ZQL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 aa.

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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	29.2	Very low	41	Very low	235 Å²	235	132.4 Å²	132.4	100%	1.158	67%	0.674	S	S	*	*				0	111.3	0	-90.8	165.7	152	0	0	107.2
2	T	30.5	Very low	41.3	Very low	115 Å²	115	128.2 Å²	128.2	71%	0.706	65%	0.649	S	S	*	*			trans	33.4	88.7	168.7	53.6	0	0	0	0	117	Y4	T2-Y4 PolarHBondContact O-N 3.23Å; T2-Y4 VanDerWaalsContact O-N 3.11Å
3	N	30.1	Very low	41.3	Very low	159 Å²	159	125.2 Å²	125.2	85%	0.85	63%	0.631	S	S	*	*			trans	-66.2	105.3	160.1	-86.2	-4.7	0	0	0	107.9	T5	N3-T5 VanDerWaalsContact C-N 3.31Å; N3-T5 PolarHBondContact O-N 3.36Å
4	Y	34	Very low	41.3	Very low	206 Å²	206	121 Å²	121	81%	0.808	62%	0.618	S	S	*	*			trans	-69.2	92.6	165	-75.5	-92.9	0	0	0	107.3	T2 E6	T2-Y4 PolarHBondContact O-N 3.23Å; T2-Y4 VanDerWaalsContact O-N 3.11Å; Y4-E6 PolarHBondContact O-N 3.38Å
5	T	42.1	Very low	41	Very low	113 Å²	113	120.4 Å²	120.4	69%	0.693	62%	0.617	S	S	*	*			trans	-70.9	106.7	163.6	49.6	0	0	0	0	106.6	N3 T7	N3-T5 VanDerWaalsContact C-N 3.31Å; N3-T5 PolarHBondContact O-N 3.36Å; T5-T7 PolarHBondContact O-N 2.77Å
6	E	41.6	Very low	40.7	Very low	170 Å²	170	118.8 Å²	118.8	79%	0.794	62%	0.618	S	S	*	*			trans	-54.4	99.2	175.1	-69.8	-179.8	156.4	0	0	109.6	Y4 N8	Y4-E6 PolarHBondContact O-N 3.38Å; E6-N8 PolarHBondContact O-N 3.04Å; E6-N8 VanDerWaalsContact O-N 3.1Å
7	T	48.8	Very low	40.9	Very low	72 Å²	72	121.4 Å²	121.4	44%	0.442	63%	0.633	S	S	.	*			trans	-75.4	96.9	172.7	41.6	0	0	0	0	107.6	T5 F9 T28	T5-T7 PolarHBondContact O-N 2.77Å; T7-F9 WeakPolarHBondContact O-CD2 3.22Å; T7-F9 PolarHBondContact O-N 2.91Å; T7-T28 HydrophobicContact CG2-CG2 3.89Å
8	N	47.1	Very low	41.3	Very low	102 Å²	102	118.3 Å²	118.3	55%	0.545	62%	0.624	S	S	.	*			trans	-71.6	99.7	173.9	-75.1	-32.4	0	0	0	109.1	E6	E6-N8 PolarHBondContact O-N 3.04Å; E6-N8 VanDerWaalsContact O-N 3.1Å
9	F	50	Low	41	Very low	125 Å²	125	121.7 Å²	121.7	55%	0.548	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.9	111	170.3	-78.2	-91.5	0	0	0	109	T7 V24 T26	T7-F9 WeakPolarHBondContact O-CD2 3.22Å; T7-F9 PolarHBondContact O-N 2.91Å; F9-V24 HydrophobicContact CD1-CG1 3.57Å; F9-V24 HydrophobicContact CE1-CG1 4.24Å; F9-T26 HydrophobicContact CD1-CG2 3.45Å; F9-T26 VanDerWaalsContact CD1-CG2 3.45Å; F9-T26 HydrophobicContact CE1-CG2 3.13Å; F9-T26 HydrophobicContact CG-CG2 4.29Å; F9-T26 HydrophobicContact CZ-CG2 3.74Å
10	V	48.2	Very low	40.8	Very low	55 Å²	55	119.1 Å²	119.1	33%	0.333	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	113.7	172.1	-170.7	0	0	0	0	108.3	H12 T25 I27	V10-H12 VanDerWaalsContact CG1-NE2 3.28Å; V10-H12 WeakPolarHBondContact CG1-NE2 3.3Å; V10-T25 PolarHBondContact N-O 3.39Å; V10-T25 PolarHBondContact O-N 3.26Å; V10-T25 PolarHBondContact O-OG1 3.32Å; V10-I27 HydrophobicContact CG2-CD1 4.4Å
11	I	49.8	Very low	40.7	Very low	104 Å²	104	116.5 Å²	116.5	53%	0.533	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94	114	175.2	-58.4	173	0	0	0	107.3	W22 V24	I11-W22 HydrophobicContact CG2-CE3 3.58Å; I11-W22 HydrophobicContact CG2-CZ3 4.11Å; I11-V24 HydrophobicContact CG1-CG2 4.19Å
12	H	44.7	Very low	41.2	Very low	82 Å²	82	112.8 Å²	112.8	38%	0.38	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	122.3	173.6	-72.7	-85.7	0	0	0	109.8	V10 Y23	V10-H12 VanDerWaalsContact CG1-NE2 3.28Å; V10-H12 WeakPolarHBondContact CG1-NE2 3.3Å; H12-Y23 HydrophobicContact CB-CD1 4.05Å; H12-Y23 HydrophobicContact CB-CD2 3.77Å; H12-Y23 HydrophobicContact CB-CE1 3.54Å; H12-Y23 HydrophobicContact CB-CE2 3.24Å; H12-Y23 HydrophobicContact CB-CG 4.16Å; H12-Y23 WeakPolarHBondContact CB-OH 3.35Å; H12-Y23 AromaticContact CD2-CE2 3.69Å; H12-Y23 AromaticContact CG-CE2 3.6Å; H12-Y23 AromaticContact CG-CZ 3.74Å; H12-Y23 PolarHBondContact N-O 3.05Å; H12-Y23 WeakPolarHBondContact O-CD1 3.47Å; H12-Y23 PolarHBondContact O-N 3.37Å; H12-Y23 VanDerWaalsContact O-N 3.08Å
13	H	41	Very low	41.9	Very low	90 Å²	90	112 Å²	112	42%	0.417	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.5	112.1	173.7	178.6	-107.1	0	0	0	108.6	S20 W22	H13-S20 WeakPolarHBondContact NE2-CB 3.34Å; H13-W22 HydrophobicContact CB-CE3 3.98Å; H13-W22 HydrophobicContact CB-CH2 4.31Å; H13-W22 HydrophobicContact CB-CZ3 3.82Å; H13-W22 AromaticContact CD2-CD2 3.77Å; H13-W22 AromaticContact CD2-CE2 3.5Å; H13-W22 AromaticContact CD2-CE3 3.91Å; H13-W22 AromaticContact CD2-CH2 3.63Å; H13-W22 AromaticContact CD2-CZ2 3.44Å; H13-W22 VanDerWaalsContact CD2-CZ2 3.44Å; H13-W22 WeakPolarHBondContact CD2-CZ2 3.31Å; H13-W22 AromaticContact CD2-CZ3 3.86Å; H13-W22 AromaticContact NE2-CZ2 3.91Å
14	C	40.7	Very low	42.7	Very low	66 Å²	66	107.6 Å²	107.6	45%	0.446	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.8	172	-148.9	0	0	0	0	109.1	V21 Y23	C14-V21 PolarHBondContact N-O 3.19Å; C14-V21 VanDerWaalsContact N-O 3.11Å; C14-V21 PolarHBondContact O-N 3.47Å; C14-V21 VanDerWaalsContact O-N 3.12Å; C14-Y23 HydrophobicContact CB-CE1 4.24Å
15	N	36.6	Very low	43.4	Very low	112 Å²	112	100.7 Å²	100.7	60%	0.599	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.5	179.9	-168.4	7.8	0	0	0	108.6
16	C	37	Very low	43.7	Very low	94 Å²	94	96.6 Å²	96.6	64%	0.635	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	104.4	173	-92.4	0	0	0	0	109.6	S18 Y19	C16-S18 PolarHBondContact O-N 2.85Å; C16-Y19 PolarHBondContact N-O 2.82Å; C16-Y19 PolarHBondContact O-N 3.41Å; C16-Y19 VanDerWaalsContact O-N 3.13Å
17	N	43.7	Very low	44.2	Very low	164 Å²	164	94.6 Å²	94.6	88%	0.877	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.8	25.8	160	-80.1	-6.9	0	0	0	119.2
18	S	49.1	Very low	44.1	Very low	66 Å²	66	92.8 Å²	92.8	46%	0.462	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	150.7	-1.1	161.5	-68.9	0	0	0	0	112.4	C16	C16-S18 PolarHBondContact O-N 2.85Å
19	Y	35.8	Very low	44.3	Very low	182 Å²	182	94.8 Å²	94.8	71%	0.714	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.2	178.5	-59	-80.5	0	0	0	110.8	C16	C16-Y19 PolarHBondContact N-O 2.82Å; C16-Y19 PolarHBondContact O-N 3.41Å; C16-Y19 VanDerWaalsContact O-N 3.13Å
20	S	35.4	Very low	44.6	Very low	70 Å²	70	95.7 Å²	95.7	49%	0.49	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120.5	171.3	49.2	0	0	0	0	109	H13	H13-S20 WeakPolarHBondContact NE2-CB 3.34Å
21	V	39.1	Very low	44.8	Very low	64 Å²	64	98.4 Å²	98.4	39%	0.388	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.7	174.2	-175.6	0	0	0	0	107.9	C14 F44	C14-V21 PolarHBondContact N-O 3.19Å; C14-V21 VanDerWaalsContact N-O 3.11Å; C14-V21 PolarHBondContact O-N 3.47Å; C14-V21 VanDerWaalsContact O-N 3.12Å; V21-F44 HydrophobicContact CG1-CE1 4.07Å; V21-F44 HydrophobicContact CG1-CZ 3.76Å
22	W	40.2	Very low	45	Very low	157 Å²	157	96.8 Å²	96.8	60%	0.595	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.3	174.8	-57.1	86.8	0	0	0	107.9	I11 H13	I11-W22 HydrophobicContact CG2-CE3 3.58Å; I11-W22 HydrophobicContact CG2-CZ3 4.11Å; H13-W22 HydrophobicContact CB-CE3 3.98Å; H13-W22 HydrophobicContact CB-CH2 4.31Å; H13-W22 HydrophobicContact CB-CZ3 3.82Å; H13-W22 AromaticContact CD2-CD2 3.77Å; H13-W22 AromaticContact CD2-CE2 3.5Å; H13-W22 AromaticContact CD2-CE3 3.91Å; H13-W22 AromaticContact CD2-CH2 3.63Å; H13-W22 AromaticContact CD2-CZ2 3.44Å; H13-W22 VanDerWaalsContact CD2-CZ2 3.44Å; H13-W22 WeakPolarHBondContact CD2-CZ2 3.31Å; H13-W22 AromaticContact CD2-CZ3 3.86Å; H13-W22 AromaticContact NE2-CZ2 3.91Å
23	Y	45.7	Very low	45.3	Very low	98 Å²	98	94 Å²	94	38%	0.384	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.2	167.8	57.7	-83.5	0	0	0	109.9	H12 C14 T25	H12-Y23 HydrophobicContact CB-CD1 4.05Å; H12-Y23 HydrophobicContact CB-CD2 3.77Å; H12-Y23 HydrophobicContact CB-CE1 3.54Å; H12-Y23 HydrophobicContact CB-CE2 3.24Å; H12-Y23 HydrophobicContact CB-CG 4.16Å; H12-Y23 WeakPolarHBondContact CB-OH 3.35Å; H12-Y23 AromaticContact CD2-CE2 3.69Å; H12-Y23 AromaticContact CG-CE2 3.6Å; H12-Y23 AromaticContact CG-CZ 3.74Å; H12-Y23 PolarHBondContact N-O 3.05Å; H12-Y23 WeakPolarHBondContact O-CD1 3.47Å; H12-Y23 PolarHBondContact O-N 3.37Å; H12-Y23 VanDerWaalsContact O-N 3.08Å; C14-Y23 HydrophobicContact CB-CE1 4.24Å; Y23-T25 HydrophobicContact CD2-CG2 4.22Å
24	V	45.4	Very low	45.9	Very low	67 Å²	67	92.9 Å²	92.9	41%	0.406	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.5	-180	-175.4	0	0	0	0	107.3	F9 I11	F9-V24 HydrophobicContact CD1-CG1 3.57Å; F9-V24 HydrophobicContact CE1-CG1 4.24Å; I11-V24 HydrophobicContact CG1-CG2 4.19Å
25	T	49.3	Very low	46.3	Very low	62 Å²	62	94.9 Å²	94.9	38%	0.38	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.5	172.9	45.8	0	0	0	0	108.9	V10 Y23	V10-T25 PolarHBondContact N-O 3.39Å; V10-T25 PolarHBondContact O-N 3.26Å; V10-T25 PolarHBondContact O-OG1 3.32Å; Y23-T25 HydrophobicContact CD2-CG2 4.22Å
26	T	48.1	Very low	47.6	Very low	27 Å²	27	92.7 Å²	92.7	17%	0.166	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.7	169.8	49	0	0	0	0	109.1	F9 T28	F9-T26 HydrophobicContact CD1-CG2 3.45Å; F9-T26 VanDerWaalsContact CD1-CG2 3.45Å; F9-T26 HydrophobicContact CE1-CG2 3.13Å; F9-T26 HydrophobicContact CG-CG2 4.29Å; F9-T26 HydrophobicContact CZ-CG2 3.74Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 3.37Å; T26-T28 VanDerWaalsContact O-N 3.09Å
27	I	52.3	Low	48.9	Very low	127 Å²	127	93.3 Å²	93.3	65%	0.651	50%	0.496	S	S	*	.			trans	-79.3	88.2	169.3	-54.7	172.1	0	0	0	106.3	V10	V10-I27 HydrophobicContact CG2-CD1 4.4Å
28	T	47.5	Very low	49.6	Very low	35 Å²	35	92.6 Å²	92.6	22%	0.215	49%	0.485	C	S	.	.			trans	-127.8	135	172.6	57.6	0	0	0	0	109.9	T7 T26 N30 T32 S33	T7-T28 HydrophobicContact CG2-CG2 3.89Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 3.37Å; T26-T28 VanDerWaalsContact O-N 3.09Å; T28-N30 PolarHBondContact O-N 2.72Å; T28-T32 PolarHBondContact OG1-OG1 3.34Å; T28-T32 VanDerWaalsContact OG1-OG1 3.08Å; T28-S33 WeakPolarHBondContact O-CB 3.28Å
29	D	51.3	Low	50.2	Low	144 Å²	144	94.1 Å²	94.1	77%	0.77	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.9	126.9	-168.9	-65.5	-43.2	0	0	0	113.4	T31 T32	D29-T31 PolarHBondContact O-N 3.25Å; D29-T32 PolarHBondContact O-N 2.94Å
30	N	55.8	Low	51.5	Low	143 Å²	143	88.1 Å²	88.1	77%	0.765	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-3.1	-20.8	-178.9	-67.9	-5.6	0	0	0	122.9	T28	T28-N30 PolarHBondContact O-N 2.72Å
31	T	53.1	Low	52.7	Low	113 Å²	113	88.2 Å²	88.2	69%	0.693	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-26.4	-175.5	58.9	0	0	0	0	113.5	D29	D29-T31 PolarHBondContact O-N 3.25Å
32	T	52.5	Low	53.5	Low	69 Å²	69	91.7 Å²	91.7	42%	0.423	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-24	176.9	56.2	0	0	0	0	112.9	T28 D29 T34 N35 I36	T28-T32 PolarHBondContact OG1-OG1 3.34Å; T28-T32 VanDerWaalsContact OG1-OG1 3.08Å; D29-T32 PolarHBondContact O-N 2.94Å; T32-T34 PolarHBondContact O-N 2.67Å; T32-N35 PolarHBondContact O-N 3Å; T32-I36 WeakPolarHBondContact O-CG1 3.14Å; T32-I36 PolarHBondContact O-N 3.13Å
33	S	52.2	Low	54.4	Low	24 Å²	24	91.5 Å²	91.5	17%	0.168	48%	0.483	C	S	.	.	H	α-helix	trans	-63.9	-36.8	-179.2	53	0	0	0	0	113.1	T28 N35 I36 I37	T28-S33 WeakPolarHBondContact O-CB 3.28Å; S33-N35 PolarHBondContact O-N 2.84Å; S33-I36 PolarHBondContact O-N 3.48Å; S33-I37 WeakPolarHBondContact O-CB 2.98Å; S33-I37 WeakPolarHBondContact O-CD1 3.4Å; S33-I37 VanDerWaalsContact O-CG1 3.24Å; S33-I37 WeakPolarHBondContact O-CG1 3.45Å; S33-I37 PolarHBondContact O-N 2.79Å
34	T	53.4	Low	55	Low	67 Å²	67	91.7 Å²	91.7	41%	0.411	49%	0.485	S	S	.	.	H	α-helix	trans	-62.9	-46	178.3	55.3	0	0	0	0	111.3	T32 I36 I37 F38	T32-T34 PolarHBondContact O-N 2.67Å; T34-I36 VanDerWaalsContact C-N 3.32Å; T34-I36 PolarHBondContact O-N 2.83Å; T34-I37 PolarHBondContact O-N 2.97Å; T34-F38 WeakPolarHBondContact O-CD2 3.19Å; T34-F38 PolarHBondContact O-N 3.47Å
35	N	50	Low	55.4	Low	107 Å²	107	93.6 Å²	93.6	57%	0.572	49%	0.493	S	S	*	.	H	α-helix	trans	-64	-37.8	-179.7	-69.9	-18.4	0	0	0	112	T32 S33 T39	T32-N35 PolarHBondContact O-N 3Å; S33-N35 PolarHBondContact O-N 2.84Å; N35-T39 WeakPolarHBondContact O-CB 3.4Å; N35-T39 PolarHBondContact O-N 3.41Å; N35-T39 PolarHBondContact O-OG1 3.39Å
36	I	62.3	Low	55.6	Low	66 Å²	66	95.2 Å²	95.2	34%	0.338	50%	0.498	S	S	.	.	H	α-helix	trans	-70.2	-44.6	177.6	-62.9	169.6	0	0	0	110.5	T32 S33 T34 F38 T39 V40	T32-I36 WeakPolarHBondContact O-CG1 3.14Å; T32-I36 PolarHBondContact O-N 3.13Å; S33-I36 PolarHBondContact O-N 3.48Å; T34-I36 VanDerWaalsContact C-N 3.32Å; T34-I36 PolarHBondContact O-N 2.83Å; I36-F38 VanDerWaalsContact C-N 3.31Å; I36-F38 PolarHBondContact O-N 3.49Å; I36-T39 PolarHBondContact O-N 3.47Å; I36-T39 VanDerWaalsContact O-N 3.13Å; I36-V40 HydrophobicContact CG2-CG2 4.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.26Å; I36-V40 PolarHBondContact O-N 3.43Å
37	I	64.1	Low	55.9	Low	107 Å²	107	98 Å²	98	55%	0.549	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-42.7	176.4	-67.6	164.3	0	0	0	110.7	S33 T34 T39 V40 T41	S33-I37 WeakPolarHBondContact O-CB 2.98Å; S33-I37 WeakPolarHBondContact O-CD1 3.4Å; S33-I37 VanDerWaalsContact O-CG1 3.24Å; S33-I37 WeakPolarHBondContact O-CG1 3.45Å; S33-I37 PolarHBondContact O-N 2.79Å; T34-I37 PolarHBondContact O-N 2.97Å; I37-T39 VanDerWaalsContact C-N 3.35Å; I37-T39 PolarHBondContact O-N 2.98Å; I37-V40 PolarHBondContact O-N 3.42Å; I37-T41 VanDerWaalsContact O-CB 3.31Å; I37-T41 WeakPolarHBondContact O-CB 3.42Å; I37-T41 PolarHBondContact O-N 3.13Å; I37-T41 PolarHBondContact O-OG1 3.42Å
38	F	58.6	Low	56.1	Low	149 Å²	149	93.4 Å²	93.4	65%	0.654	49%	0.494	S	S	*	.	H	α-helix	trans	-61.4	-43.2	174.9	-85.6	-67	0	0	0	111.8	T34 I36 T41 F42	T34-F38 WeakPolarHBondContact O-CD2 3.19Å; T34-F38 PolarHBondContact O-N 3.47Å; I36-F38 VanDerWaalsContact C-N 3.31Å; I36-F38 PolarHBondContact O-N 3.49Å; F38-T41 PolarHBondContact O-N 3.21Å; F38-F42 VanDerWaalsContact O-CB 3.29Å; F38-F42 WeakPolarHBondContact O-CB 3.4Å; F38-F42 PolarHBondContact O-N 3.48Å
39	T	62.7	Low	56.3	Low	98 Å²	98	97.4 Å²	97.4	60%	0.601	51%	0.51	S	S	*	.	H	α-helix	trans	-65.7	-43.2	179.8	-49.7	0	0	0	0	111.7	N35 I36 I37 F42 Y43	N35-T39 WeakPolarHBondContact O-CB 3.4Å; N35-T39 PolarHBondContact O-N 3.41Å; N35-T39 PolarHBondContact O-OG1 3.39Å; I36-T39 PolarHBondContact O-N 3.47Å; I36-T39 VanDerWaalsContact O-N 3.13Å; I37-T39 VanDerWaalsContact C-N 3.35Å; I37-T39 PolarHBondContact O-N 2.98Å; T39-F42 PolarHBondContact O-N 3.23Å; T39-Y43 WeakPolarHBondContact O-CB 3.27Å; T39-Y43 PolarHBondContact O-N 3.4Å
40	V	63.3	Low	56.3	Low	57 Å²	57	95.5 Å²	95.5	35%	0.345	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-42.7	176.6	174.7	0	0	0	0	110.8	I36 I37 F42 Y43 F44	I36-V40 HydrophobicContact CG2-CG2 4.28Å; I36-V40 WeakPolarHBondContact O-CG2 3.26Å; I36-V40 PolarHBondContact O-N 3.43Å; I37-V40 PolarHBondContact O-N 3.42Å; V40-F42 VanDerWaalsContact C-N 3.34Å; V40-F42 PolarHBondContact O-N 2.88Å; V40-Y43 PolarHBondContact O-N 2.65Å; V40-F44 HydrophobicContact CG1-CD2 4.1Å; V40-F44 HydrophobicContact CG1-CE2 4.38Å; V40-F44 PolarHBondContact O-N 3.01Å
41	T	60	Low	55.9	Low	71 Å²	71	95.1 Å²	95.1	44%	0.436	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-40.5	177.2	-52.2	0	0	0	0	111.2	I37 F38 F44 L45	I37-T41 VanDerWaalsContact O-CB 3.31Å; I37-T41 WeakPolarHBondContact O-CB 3.42Å; I37-T41 PolarHBondContact O-N 3.13Å; I37-T41 PolarHBondContact O-OG1 3.42Å; F38-T41 PolarHBondContact O-N 3.21Å; T41-F44 PolarHBondContact O-N 3.37Å; T41-L45 HydrophobicContact CG2-CD1 4.28Å; T41-L45 PolarHBondContact O-N 3.36Å
42	F	56.2	Low	55.7	Low	137 Å²	137	97 Å²	97	60%	0.601	49%	0.487	S	S	*	.	H	α-helix	trans	-68.8	-39.8	178.6	-157.6	-99.8	0	0	0	112.3	F38 T39 V40 L45 L46	F38-F42 VanDerWaalsContact O-CB 3.29Å; F38-F42 WeakPolarHBondContact O-CB 3.4Å; F38-F42 PolarHBondContact O-N 3.48Å; T39-F42 PolarHBondContact O-N 3.23Å; V40-F42 VanDerWaalsContact C-N 3.34Å; V40-F42 PolarHBondContact O-N 2.88Å; F42-L45 PolarHBondContact O-N 2.83Å; F42-L46 HydrophobicContact CD1-CD1 3.58Å; F42-L46 HydrophobicContact CD1-CG 4.22Å; F42-L46 HydrophobicContact CE1-CD1 3.51Å; F42-L46 HydrophobicContact CE1-CG 4.1Å; F42-L46 PolarHBondContact O-N 3.26Å
43	Y	58.3	Low	55.5	Low	154 Å²	154	97.9 Å²	97.9	60%	0.604	49%	0.488	S	S	*	.	H	α-helix	trans	-62	-42.4	173.6	-172.9	-95.6	0	0	0	111.7	T39 V40 L46 H47	T39-Y43 WeakPolarHBondContact O-CB 3.27Å; T39-Y43 PolarHBondContact O-N 3.4Å; V40-Y43 PolarHBondContact O-N 2.65Å; Y43-L46 PolarHBondContact O-N 2.83Å; Y43-H47 WeakPolarHBondContact O-CB 3.14Å; Y43-H47 PolarHBondContact O-N 3.48Å
44	F	58.4	Low	55.3	Low	101 Å²	101	102.3 Å²	102.3	44%	0.443	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-37.8	174.4	-100.8	-79.2	0	0	0	113.1	V21 V40 T41 G48	V21-F44 HydrophobicContact CG1-CE1 4.07Å; V21-F44 HydrophobicContact CG1-CZ 3.76Å; V40-F44 HydrophobicContact CG1-CD2 4.1Å; V40-F44 HydrophobicContact CG1-CE2 4.38Å; V40-F44 PolarHBondContact O-N 3.01Å; T41-F44 PolarHBondContact O-N 3.37Å; F44-G48 WeakPolarHBondContact O-CA 3.35Å; F44-G48 PolarHBondContact O-N 3.35Å
45	L	53.8	Low	54.9	Low	108 Å²	108	103.1 Å²	103.1	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-68.1	-44.2	177.1	-88.5	159.6	0	0	0	112.1	T41 F42 Q49	T41-L45 HydrophobicContact CG2-CD1 4.28Å; T41-L45 PolarHBondContact O-N 3.36Å; F42-L45 PolarHBondContact O-N 2.83Å; L45-Q49 PolarHBondContact O-N 2.8Å; L45-Q49 VanDerWaalsContact O-N 3.08Å
46	L	53.5	Low	54.8	Low	95 Å²	95	102.1 Å²	102.1	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-51.7	177.5	-78.8	169	0	0	0	111.2	F42 Y43	F42-L46 HydrophobicContact CD1-CD1 3.58Å; F42-L46 HydrophobicContact CD1-CG 4.22Å; F42-L46 HydrophobicContact CE1-CD1 3.51Å; F42-L46 HydrophobicContact CE1-CG 4.1Å; F42-L46 PolarHBondContact O-N 3.26Å; Y43-L46 PolarHBondContact O-N 2.83Å
47	H	55.8	Low	54.3	Low	85 Å²	85	103.2 Å²	103.2	39%	0.394	51%	0.514	S	S	.	.	H	α-helix	trans	-76.7	-28.2	-176.8	-148.7	-54.7	0	0	0	112.4	Y43 D50 F51	Y43-H47 WeakPolarHBondContact O-CB 3.14Å; Y43-H47 PolarHBondContact O-N 3.48Å; H47-D50 PolarHBondContact O-N 3.45Å; H47-F51 AromaticContact CE1-CE2 3.64Å; H47-F51 AromaticContact ND1-CD2 3.73Å; H47-F51 AromaticContact ND1-CE2 3.18Å; H47-F51 WeakPolarHBondContact ND1-CE2 3.25Å; H47-F51 AromaticContact ND1-CZ 4Å; H47-F51 WeakPolarHBondContact O-CD2 3.48Å; H47-F51 PolarHBondContact O-N 3.03Å
48	G	55.2	Low	53.7	Low	31 Å²	31	107 Å²	107	32%	0.32	52%	0.522	S	S	.	.	H	α-helix	trans	-70.4	-31.6	176	0	0	0	0	0	113.1	F44 D50 F51 Y52	F44-G48 WeakPolarHBondContact O-CA 3.35Å; F44-G48 PolarHBondContact O-N 3.35Å; G48-D50 VanDerWaalsContact C-N 3.35Å; G48-F51 PolarHBondContact O-N 3.17Å; G48-Y52 WeakPolarHBondContact O-CB 3.13Å; G48-Y52 PolarHBondContact O-N 3.44Å
49	Q	51.7	Low	53.5	Low	119 Å²	119	103 Å²	103	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-40.5	171.8	-87.5	-173.9	-16.1	0	0	111.8	L45 F51 Y52 I53	L45-Q49 PolarHBondContact O-N 2.8Å; L45-Q49 VanDerWaalsContact O-N 3.08Å; Q49-F51 VanDerWaalsContact C-N 3.29Å; Q49-F51 PolarHBondContact O-N 3.27Å; Q49-Y52 PolarHBondContact O-N 2.72Å; Q49-I53 WeakPolarHBondContact O-CB 3.25Å; Q49-I53 WeakPolarHBondContact O-CG1 3.39Å; Q49-I53 PolarHBondContact O-N 3.12Å
50	D	51.8	Low	53.3	Low	104 Å²	104	103 Å²	103	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-61	-40.6	174.7	-67.7	-32.9	0	0	0	111.1	H47 G48 L54	H47-D50 PolarHBondContact O-N 3.45Å; G48-D50 VanDerWaalsContact C-N 3.35Å; D50-L54 VanDerWaalsContact O-CB 3.24Å; D50-L54 WeakPolarHBondContact O-CB 3.36Å; D50-L54 PolarHBondContact O-N 2.67Å
51	F	47.1	Very low	53	Low	135 Å²	135	105 Å²	105	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-67.1	-41.1	174.9	-74.7	-67.8	0	0	0	113	H47 G48 Q49 C55	H47-F51 AromaticContact CE1-CE2 3.64Å; H47-F51 AromaticContact ND1-CD2 3.73Å; H47-F51 AromaticContact ND1-CE2 3.18Å; H47-F51 WeakPolarHBondContact ND1-CE2 3.25Å; H47-F51 AromaticContact ND1-CZ 4Å; H47-F51 WeakPolarHBondContact O-CD2 3.48Å; H47-F51 PolarHBondContact O-N 3.03Å; G48-F51 PolarHBondContact O-N 3.17Å; Q49-F51 VanDerWaalsContact C-N 3.29Å; Q49-F51 PolarHBondContact O-N 3.27Å; F51-C55 WeakPolarHBondContact O-CB 3.36Å; F51-C55 PolarHBondContact O-N 3.3Å
52	Y	49.2	Very low	53.3	Low	154 Å²	154	107.1 Å²	107.1	60%	0.604	52%	0.519	S	S	*	.	H	α-helix	trans	-67	-42.5	178.8	-172	-95.8	0	0	0	111.4	G48 Q49 C55 H56	G48-Y52 WeakPolarHBondContact O-CB 3.13Å; G48-Y52 PolarHBondContact O-N 3.44Å; Q49-Y52 PolarHBondContact O-N 2.72Å; Y52-C55 WeakPolarHBondContact O-CB 3.38Å; Y52-C55 PolarHBondContact O-N 3.22Å; Y52-H56 AromaticContact CE1-CD2 3.33Å; Y52-H56 WeakPolarHBondContact CE1-CD2 3.01Å; Y52-H56 AromaticContact CE1-NE2 3.77Å; Y52-H56 AromaticContact CZ-CD2 3.44Å; Y52-H56 VanDerWaalsContact CZ-CD2 3.44Å; Y52-H56 AromaticContact CZ-NE2 3.57Å; Y52-H56 WeakPolarHBondContact O-CB 3.43Å; Y52-H56 PolarHBondContact O-N 2.87Å; Y52-H56 PolarHBondContact OH-NE2 3.46Å; Y52-H56 VanDerWaalsContact OH-NE2 3.11Å
53	I	48.8	Very low	53.6	Low	87 Å²	87	104 Å²	104	45%	0.446	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-44.4	176.9	-66.4	166.5	0	0	0	110.1	Q49 C55 H56 I57	Q49-I53 WeakPolarHBondContact O-CB 3.25Å; Q49-I53 WeakPolarHBondContact O-CG1 3.39Å; Q49-I53 PolarHBondContact O-N 3.12Å; I53-C55 VanDerWaalsContact C-N 3.32Å; I53-C55 PolarHBondContact O-N 3.14Å; I53-H56 PolarHBondContact O-N 2.93Å; I53-I57 HydrophobicContact CG2-CD1 3.69Å; I53-I57 HydrophobicContact CG2-CG1 4.3Å; I53-I57 WeakPolarHBondContact O-CB 3.44Å; I53-I57 VanDerWaalsContact O-CG1 3.26Å; I53-I57 WeakPolarHBondContact O-CG1 3.45Å; I53-I57 PolarHBondContact O-N 3Å
54	L	46.7	Very low	53.9	Low	117 Å²	117	104.2 Å²	104.2	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-63.3	-38.8	175.8	-154.9	91.6	0	0	0	111.7	D50 I57 R58	D50-L54 VanDerWaalsContact O-CB 3.24Å; D50-L54 WeakPolarHBondContact O-CB 3.36Å; D50-L54 PolarHBondContact O-N 2.67Å; L54-I57 PolarHBondContact O-N 2.88Å; L54-R58 VanDerWaalsContact O-CB 3.24Å; L54-R58 WeakPolarHBondContact O-CB 3.25Å; L54-R58 PolarHBondContact O-N 3.08Å
55	C	45.5	Very low	54	Low	84 Å²	84	101.2 Å²	101.2	57%	0.568	50%	0.501	S	S	*	.	H	α-helix	trans	-63.1	-43.8	174.7	-170.8	0	0	0	0	111.2	F51 Y52 I53 R58 S59	F51-C55 WeakPolarHBondContact O-CB 3.36Å; F51-C55 PolarHBondContact O-N 3.3Å; Y52-C55 WeakPolarHBondContact O-CB 3.38Å; Y52-C55 PolarHBondContact O-N 3.22Å; I53-C55 VanDerWaalsContact C-N 3.32Å; I53-C55 PolarHBondContact O-N 3.14Å; C55-R58 PolarHBondContact O-N 2.85Å; C55-S59 VanDerWaalsContact O-CB 3.28Å; C55-S59 WeakPolarHBondContact O-CB 3.39Å; C55-S59 PolarHBondContact O-N 3.3Å
56	H	47.4	Very low	54.5	Low	85 Å²	85	100.7 Å²	100.7	39%	0.394	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-44.8	175.6	-110.1	-84.3	0	0	0	112.3	Y52 I53 R58 S59 I60	Y52-H56 AromaticContact CE1-CD2 3.33Å; Y52-H56 WeakPolarHBondContact CE1-CD2 3.01Å; Y52-H56 AromaticContact CE1-NE2 3.77Å; Y52-H56 AromaticContact CZ-CD2 3.44Å; Y52-H56 VanDerWaalsContact CZ-CD2 3.44Å; Y52-H56 AromaticContact CZ-NE2 3.57Å; Y52-H56 WeakPolarHBondContact O-CB 3.43Å; Y52-H56 PolarHBondContact O-N 2.87Å; Y52-H56 PolarHBondContact OH-NE2 3.46Å; Y52-H56 VanDerWaalsContact OH-NE2 3.11Å; I53-H56 PolarHBondContact O-N 2.93Å; H56-R58 VanDerWaalsContact C-N 3.28Å; H56-R58 PolarHBondContact O-N 2.92Å; H56-S59 PolarHBondContact O-N 3.49Å; H56-I60 WeakPolarHBondContact O-CB 3.2Å; H56-I60 WeakPolarHBondContact O-CD1 3.38Å; H56-I60 WeakPolarHBondContact O-CG1 3.39Å; H56-I60 PolarHBondContact O-N 3.4Å
57	I	52.2	Low	55.1	Low	89 Å²	89	101.2 Å²	101.2	46%	0.456	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-40.3	176.5	-68.3	167.9	0	0	0	110.2	I53 L54 N61	I53-I57 HydrophobicContact CG2-CD1 3.69Å; I53-I57 HydrophobicContact CG2-CG1 4.3Å; I53-I57 WeakPolarHBondContact O-CB 3.44Å; I53-I57 VanDerWaalsContact O-CG1 3.26Å; I53-I57 WeakPolarHBondContact O-CG1 3.45Å; I53-I57 PolarHBondContact O-N 3Å; L54-I57 PolarHBondContact O-N 2.88Å; I57-N61 WeakPolarHBondContact O-CB 3.23Å; I57-N61 PolarHBondContact O-N 3.12Å; I57-N61 VanDerWaalsContact O-N 3.09Å; I57-N61 PolarHBondContact O-ND2 2.84Å
58	R	51.7	Low	55.3	Low	188 Å²	188	99.9 Å²	99.9	71%	0.709	50%	0.496	S	S	*	.	H	α-helix	trans	-70.4	-37.8	177.7	-172.7	168.7	138.5	151.9	-5.7	112.4	L54 C55 H56 F62	L54-R58 VanDerWaalsContact O-CB 3.24Å; L54-R58 WeakPolarHBondContact O-CB 3.25Å; L54-R58 PolarHBondContact O-N 3.08Å; C55-R58 PolarHBondContact O-N 2.85Å; H56-R58 VanDerWaalsContact C-N 3.28Å; H56-R58 PolarHBondContact O-N 2.92Å; R58-F62 WeakPolarHBondContact O-CB 3.43Å; R58-F62 PolarHBondContact O-N 3.3Å
59	S	54.1	Low	55.3	Low	65 Å²	65	101.6 Å²	101.6	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-70.3	-41.6	177.2	-173.8	0	0	0	0	112.6	C55 H56 F62 T63	C55-S59 VanDerWaalsContact O-CB 3.28Å; C55-S59 WeakPolarHBondContact O-CB 3.39Å; C55-S59 PolarHBondContact O-N 3.3Å; H56-S59 PolarHBondContact O-N 3.49Å; S59-F62 PolarHBondContact O-N 3.01Å; S59-T63 PolarHBondContact O-N 2.99Å; S59-T63 PolarHBondContact O-OG1 3.42Å
60	I	58.2	Low	55.9	Low	96 Å²	96	99 Å²	99	49%	0.492	50%	0.502	S	S	.	.	H	α-helix	trans	-62	-47.8	175.4	-70	162.7	0	0	0	109.7	H56 F62 T63 Y64	H56-I60 WeakPolarHBondContact O-CB 3.2Å; H56-I60 WeakPolarHBondContact O-CD1 3.38Å; H56-I60 WeakPolarHBondContact O-CG1 3.39Å; H56-I60 PolarHBondContact O-N 3.4Å; I60-F62 VanDerWaalsContact C-N 3.28Å; I60-F62 PolarHBondContact O-N 3.35Å; I60-T63 PolarHBondContact O-N 3.01Å; I60-Y64 WeakPolarHBondContact O-CB 3.45Å; I60-Y64 PolarHBondContact O-N 3.42Å
61	N	58.3	Low	56.3	Low	100 Å²	100	97.6 Å²	97.6	54%	0.535	50%	0.5	S	S	.	.	H	α-helix	trans	-60.8	-37	176.2	-81.2	-51.7	0	0	0	112.4	I57 L65	I57-N61 WeakPolarHBondContact O-CB 3.23Å; I57-N61 PolarHBondContact O-N 3.12Å; I57-N61 VanDerWaalsContact O-N 3.09Å; I57-N61 PolarHBondContact O-ND2 2.84Å; N61-L65 WeakPolarHBondContact O-CB 3.43Å; N61-L65 PolarHBondContact O-N 3.21Å
62	F	66.7	Low	56.7	Low	115 Å²	115	93.9 Å²	93.9	50%	0.504	50%	0.5	S	S	.	.	H	α-helix	trans	-69	-41.9	178.3	-171	-103.7	0	0	0	112.7	R58 S59 I60 Y64 L65 L66	R58-F62 WeakPolarHBondContact O-CB 3.43Å; R58-F62 PolarHBondContact O-N 3.3Å; S59-F62 PolarHBondContact O-N 3.01Å; I60-F62 VanDerWaalsContact C-N 3.28Å; I60-F62 PolarHBondContact O-N 3.35Å; F62-Y64 VanDerWaalsContact C-N 3.33Å; F62-Y64 PolarHBondContact O-N 3.16Å; F62-L65 PolarHBondContact O-N 3.43Å; F62-L66 HydrophobicContact CD1-CD1 3.88Å; F62-L66 HydrophobicContact CD1-CG 4.29Å; F62-L66 HydrophobicContact CE1-CD1 3.49Å; F62-L66 VanDerWaalsContact CE1-CD1 3.49Å; F62-L66 HydrophobicContact CE1-CD2 4.44Å; F62-L66 HydrophobicContact CE1-CG 3.96Å; F62-L66 HydrophobicContact CZ-CD1 4.19Å; F62-L66 HydrophobicContact CZ-CD2 4.33Å; F62-L66 HydrophobicContact CZ-CG 4.24Å; F62-L66 WeakPolarHBondContact O-CG 3.39Å; F62-L66 PolarHBondContact O-N 2.97Å
63	T	62.2	Low	56.8	Low	73 Å²	73	97 Å²	97	45%	0.448	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-43.2	176.3	-53.6	0	0	0	0	110.6	S59 I60 L65 L66 I67	S59-T63 PolarHBondContact O-N 2.99Å; S59-T63 PolarHBondContact O-OG1 3.42Å; I60-T63 PolarHBondContact O-N 3.01Å; T63-L65 PolarHBondContact O-N 2.99Å; T63-L66 PolarHBondContact O-N 3.2Å; T63-I67 HydrophobicContact CG2-CD1 4.27Å; T63-I67 WeakPolarHBondContact O-CG1 3.42Å; T63-I67 PolarHBondContact O-N 3.49Å; T63-I67 VanDerWaalsContact O-N 3.09Å
64	Y	64.9	Low	57	Low	157 Å²	157	99 Å²	99	62%	0.616	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-42.4	175	-130	-90.6	0	0	0	112	I60 F62 L66 I67 I68	I60-Y64 WeakPolarHBondContact O-CB 3.45Å; I60-Y64 PolarHBondContact O-N 3.42Å; F62-Y64 VanDerWaalsContact C-N 3.33Å; F62-Y64 PolarHBondContact O-N 3.16Å; Y64-L66 PolarHBondContact O-N 3.44Å; Y64-I67 PolarHBondContact O-N 3.41Å; Y64-I68 HydrophobicContact CD1-CD1 3.92Å; Y64-I68 WeakPolarHBondContact O-CG1 3.37Å; Y64-I68 PolarHBondContact O-N 3.48Å
65	L	60	Low	57.7	Low	39 Å²	39	98.4 Å²	98.4	20%	0.204	52%	0.523	C	S	.	.	H	α-helix	trans	-64.1	-39.1	177.8	-173.4	137.6	0	0	0	112	N61 F62 T63 I68 L69 A80 L84	N61-L65 WeakPolarHBondContact O-CB 3.43Å; N61-L65 PolarHBondContact O-N 3.21Å; F62-L65 PolarHBondContact O-N 3.43Å; T63-L65 PolarHBondContact O-N 2.99Å; L65-I68 PolarHBondContact O-N 3.13Å; L65-L69 HydrophobicContact CD2-CD1 3.39Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 WeakPolarHBondContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CD1 3.35Å; L65-L69 PolarHBondContact O-N 3.04Å; L65-A80 HydrophobicContact CD1-CB 4.34Å; L65-L84 HydrophobicContact CD2-CD1 3.78Å
66	L	63.8	Low	58.4	Low	96 Å²	96	98.5 Å²	98.5	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-40.9	173.9	-75.8	176.3	0	0	0	112.5	F62 T63 Y64 L69 G70	F62-L66 HydrophobicContact CD1-CD1 3.88Å; F62-L66 HydrophobicContact CD1-CG 4.29Å; F62-L66 HydrophobicContact CE1-CD1 3.49Å; F62-L66 VanDerWaalsContact CE1-CD1 3.49Å; F62-L66 HydrophobicContact CE1-CD2 4.44Å; F62-L66 HydrophobicContact CE1-CG 3.96Å; F62-L66 HydrophobicContact CZ-CD1 4.19Å; F62-L66 HydrophobicContact CZ-CD2 4.33Å; F62-L66 HydrophobicContact CZ-CG 4.24Å; F62-L66 WeakPolarHBondContact O-CG 3.39Å; F62-L66 PolarHBondContact O-N 2.97Å; T63-L66 PolarHBondContact O-N 3.2Å; Y64-L66 PolarHBondContact O-N 3.44Å; L66-L69 PolarHBondContact O-N 2.99Å; L66-G70 PolarHBondContact O-N 3.15Å
67	I	65.5	Low	59.1	Low	107 Å²	107	97.2 Å²	97.2	55%	0.549	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-45.7	177.3	-68.5	165.9	0	0	0	110.1	T63 Y64 L69 G70 S71	T63-I67 HydrophobicContact CG2-CD1 4.27Å; T63-I67 WeakPolarHBondContact O-CG1 3.42Å; T63-I67 PolarHBondContact O-N 3.49Å; T63-I67 VanDerWaalsContact O-N 3.09Å; Y64-I67 PolarHBondContact O-N 3.41Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.44Å; I67-G70 PolarHBondContact O-N 3Å; I67-G70 VanDerWaalsContact O-N 3.1Å; I67-S71 PolarHBondContact O-N 2.83Å; I67-S71 VanDerWaalsContact O-N 3.09Å; I67-S71 PolarHBondContact O-OG 3.31Å
68	I	60.3	Low	59.5	Low	56 Å²	56	99.5 Å²	99.5	29%	0.287	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-37.5	176.8	-64.9	165.9	0	0	0	111.6	Y64 L65 G70 R77	Y64-I68 HydrophobicContact CD1-CD1 3.92Å; Y64-I68 WeakPolarHBondContact O-CG1 3.37Å; Y64-I68 PolarHBondContact O-N 3.48Å; L65-I68 PolarHBondContact O-N 3.13Å; I68-G70 VanDerWaalsContact C-N 3.29Å; I68-G70 PolarHBondContact O-N 2.79Å; I68-R77 VanDerWaalsContact O-CZ 3.31Å; I68-R77 PolarHBondContact O-NE 3.46Å; I68-R77 PolarHBondContact O-NH2 2.77Å
69	L	55.9	Low	60.4	Low	68 Å²	68	96 Å²	96	36%	0.356	51%	0.514	S	S	.	.	H	α-helix	trans	-70.3	-21.3	174.2	-100.8	129.4	0	0	0	113.6	L65 L66 I67 R77	L65-L69 HydrophobicContact CD2-CD1 3.39Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 WeakPolarHBondContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CD1 3.35Å; L65-L69 PolarHBondContact O-N 3.04Å; L66-L69 PolarHBondContact O-N 2.99Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.44Å; L69-R77 PolarHBondContact O-NH1 3.46Å; L69-R77 PolarHBondContact O-NH2 3.13Å
70	G	63.8	Low	61	Low	63 Å²	63	93.6 Å²	93.6	65%	0.649	50%	0.498	S	S	*	.	H	α-helix	trans	-83.4	-41.5	176.1	0	0	0	0	0	113.9	L66 I67 I68 G72	L66-G70 PolarHBondContact O-N 3.15Å; I67-G70 PolarHBondContact O-N 3Å; I67-G70 VanDerWaalsContact O-N 3.1Å; I68-G70 VanDerWaalsContact C-N 3.29Å; I68-G70 PolarHBondContact O-N 2.79Å; G70-G72 PolarHBondContact O-N 3.12Å
71	S	59.9	Low	61.5	Low	75 Å²	75	93.4 Å²	93.4	52%	0.524	50%	0.496	S	S	.	.	S	Bend	trans	-83.5	103.8	-178.6	57.8	0	0	0	0	110.9	I67 R77	I67-S71 PolarHBondContact O-N 2.83Å; I67-S71 VanDerWaalsContact O-N 3.09Å; I67-S71 PolarHBondContact O-OG 3.31Å; S71-R77 PolarHBondContact O-NE 2.85Å; S71-R77 PolarHBondContact O-NH2 3.44Å
72	G	55.8	Low	61.9	Low	58 Å²	58	94.5 Å²	94.5	60%	0.598	50%	0.497	S	S	*	.			trans	-53.5	148.4	-174.9	0	0	0	0	0	114.1	G70	G70-G72 PolarHBondContact O-N 3.12Å
73	Y	50.9	Low	62	Low	219 Å²	219	93.8 Å²	93.8	86%	0.859	50%	0.498	S	S	*	.			trans	73.8	73	161.4	-102.5	-92.4	0	0	0	118.7
74	Q	52.5	Low	62	Low	128 Å²	128	93.4 Å²	93.4	60%	0.598	49%	0.492	S	S	*	.			trans	-153.7	151	155.5	-106.2	179	-47.3	0	0	111.8	E76 R77	Q74-E76 WeakPolarHBondContact CB-OE1 3.49Å; Q74-E76 WeakPolarHBondContact CB-OE2 3.37Å; Q74-E76 PolarHBondContact NE2-OE1 3.43Å; Q74-E76 PolarHBondContact O-N 3.3Å; Q74-R77 WeakPolarHBondContact O-CB 3.49Å; Q74-R77 PolarHBondContact O-N 3.19Å
75	P	61.7	Low	62.2	Low	105 Å²	105	92.2 Å²	92.2	68%	0.682	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.7	-172.2	27.2	-34.2	0	0	0	113.8	R77 L78	P75-R77 PolarHBondContact O-N 2.84Å; P75-R77 VanDerWaalsContact O-N 3.1Å; P75-L78 PolarHBondContact O-N 2.83Å; P75-L78 VanDerWaalsContact O-N 3.14Å
76	E	61.6	Low	62.4	Low	86 Å²	86	95 Å²	95	40%	0.402	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-21.5	175.7	-41.3	89.7	-136.8	0	0	112.4	Q74 L78 I79 A80	Q74-E76 WeakPolarHBondContact CB-OE1 3.49Å; Q74-E76 WeakPolarHBondContact CB-OE2 3.37Å; Q74-E76 PolarHBondContact NE2-OE1 3.43Å; Q74-E76 PolarHBondContact O-N 3.3Å; E76-L78 VanDerWaalsContact C-N 3.26Å; E76-L78 PolarHBondContact O-N 2.79Å; E76-I79 PolarHBondContact O-N 3.02Å; E76-A80 PolarHBondContact O-N 3.47Å
77	R	61.5	Low	62.2	Low	59 Å²	59	94.2 Å²	94.2	22%	0.223	51%	0.509	C	S	.	.	H	α-helix	trans	-59	-34.6	175.6	-75.2	-178.9	170	-114.7	0.2	113.3	I68 L69 S71 Q74 P75 I79 A80 I81	I68-R77 VanDerWaalsContact O-CZ 3.31Å; I68-R77 PolarHBondContact O-NE 3.46Å; I68-R77 PolarHBondContact O-NH2 2.77Å; L69-R77 PolarHBondContact O-NH1 3.46Å; L69-R77 PolarHBondContact O-NH2 3.13Å; S71-R77 PolarHBondContact O-NE 2.85Å; S71-R77 PolarHBondContact O-NH2 3.44Å; Q74-R77 WeakPolarHBondContact O-CB 3.49Å; Q74-R77 PolarHBondContact O-N 3.19Å; P75-R77 PolarHBondContact O-N 2.84Å; P75-R77 VanDerWaalsContact O-N 3.1Å; R77-I79 VanDerWaalsContact C-N 3.3Å; R77-I79 PolarHBondContact O-N 3.49Å; R77-A80 PolarHBondContact O-N 3.38Å; R77-I81 WeakPolarHBondContact O-CB 3.47Å; R77-I81 WeakPolarHBondContact O-CD1 3.43Å; R77-I81 WeakPolarHBondContact O-CG1 3.28Å; R77-I81 PolarHBondContact O-N 2.9Å
78	L	61	Low	61.8	Low	136 Å²	136	91.9 Å²	91.9	71%	0.712	50%	0.497	S	S	*	.	H	α-helix	trans	-68.7	-37.2	-177.7	-138.6	153.6	0	0	0	110.2	P75 E76 F82	P75-L78 PolarHBondContact O-N 2.83Å; P75-L78 VanDerWaalsContact O-N 3.14Å; E76-L78 VanDerWaalsContact C-N 3.26Å; E76-L78 PolarHBondContact O-N 2.79Å; L78-F82 VanDerWaalsContact O-CB 3.27Å; L78-F82 WeakPolarHBondContact O-CB 3.42Å; L78-F82 PolarHBondContact O-N 3.4Å
79	I	69.6	Low	61.6	Low	116 Å²	116	92.8 Å²	92.8	60%	0.595	51%	0.506	S	S	*	.	H	α-helix	trans	-68.7	-44.3	172.6	-70.1	163.6	0	0	0	110.7	E76 R77 I81 F82 L83	E76-I79 PolarHBondContact O-N 3.02Å; R77-I79 VanDerWaalsContact C-N 3.3Å; R77-I79 PolarHBondContact O-N 3.49Å; I79-I81 PolarHBondContact O-N 3.48Å; I79-F82 PolarHBondContact O-N 3.29Å; I79-L83 HydrophobicContact CG2-CD1 3.96Å; I79-L83 HydrophobicContact CG2-CG 4.31Å; I79-L83 WeakPolarHBondContact O-CB 3.42Å; I79-L83 WeakPolarHBondContact O-CG 3.32Å; I79-L83 PolarHBondContact O-N 3.29Å
80	A	66.6	Low	61.5	Low	14 Å²	14	97.1 Å²	97.1	12%	0.116	52%	0.522	C	S	.	.	H	α-helix	trans	-62.9	-41.3	178.1	0	0	0	0	0	112.3	L65 E76 R77 L83 L84	L65-A80 HydrophobicContact CD1-CB 4.34Å; E76-A80 PolarHBondContact O-N 3.47Å; R77-A80 PolarHBondContact O-N 3.38Å; A80-L83 PolarHBondContact O-N 3.04Å; A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.16Å; A80-L84 PolarHBondContact O-N 3.19Å
81	I	68.8	Low	61.1	Low	91 Å²	91	96.4 Å²	96.4	47%	0.467	51%	0.51	S	S	.	.	H	α-helix	trans	-65.2	-42.5	174.6	-68.8	162.8	0	0	0	110.1	R77 I79 L84 H85	R77-I81 WeakPolarHBondContact O-CB 3.47Å; R77-I81 WeakPolarHBondContact O-CD1 3.43Å; R77-I81 WeakPolarHBondContact O-CG1 3.28Å; R77-I81 PolarHBondContact O-N 2.9Å; I79-I81 PolarHBondContact O-N 3.48Å; I81-L84 PolarHBondContact O-N 2.92Å; I81-H85 VanDerWaalsContact O-CB 3.27Å; I81-H85 WeakPolarHBondContact O-CB 3.33Å; I81-H85 PolarHBondContact O-N 3.44Å
82	F	67.9	Low	60.6	Low	124 Å²	124	99.2 Å²	99.2	54%	0.544	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-44.6	176.8	-176.7	-104.1	0	0	0	112.1	L78 I79 H85 L86	L78-F82 VanDerWaalsContact O-CB 3.27Å; L78-F82 WeakPolarHBondContact O-CB 3.42Å; L78-F82 PolarHBondContact O-N 3.4Å; I79-F82 PolarHBondContact O-N 3.29Å; F82-H85 PolarHBondContact O-N 2.85Å; F82-L86 HydrophobicContact CD1-CD1 3.86Å; F82-L86 HydrophobicContact CE1-CD1 3.35Å; F82-L86 HydrophobicContact CE1-CG 4.23Å; F82-L86 HydrophobicContact CE2-CD1 4.49Å; F82-L86 HydrophobicContact CZ-CD1 3.72Å; F82-L86 HydrophobicContact CZ-CG 4.26Å; F82-L86 WeakPolarHBondContact O-CG 3.37Å; F82-L86 PolarHBondContact O-N 3.22Å
83	L	67.5	Low	60.6	Low	100 Å²	100	101.6 Å²	101.6	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-42.3	175.3	-71.8	175	0	0	0	111.6	I79 A80 H85 L86 C87	I79-L83 HydrophobicContact CG2-CD1 3.96Å; I79-L83 HydrophobicContact CG2-CG 4.31Å; I79-L83 WeakPolarHBondContact O-CB 3.42Å; I79-L83 WeakPolarHBondContact O-CG 3.32Å; I79-L83 PolarHBondContact O-N 3.29Å; A80-L83 PolarHBondContact O-N 3.04Å; L83-H85 VanDerWaalsContact C-N 3.34Å; L83-L86 PolarHBondContact O-N 3.1Å; L83-C87 WeakPolarHBondContact O-CB 3.25Å; L83-C87 PolarHBondContact O-N 3.42Å
84	L	63.8	Low	60.9	Low	64 Å²	64	99.2 Å²	99.2	34%	0.335	51%	0.51	S	S	.	.	H	α-helix	trans	-64.1	-40.7	174.9	-167.9	123.6	0	0	0	110.9	L65 A80 I81 L86 C87 L88	L65-L84 HydrophobicContact CD2-CD1 3.78Å; A80-L84 VanDerWaalsContact O-CB 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.16Å; A80-L84 PolarHBondContact O-N 3.19Å; I81-L84 PolarHBondContact O-N 2.92Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-L86 PolarHBondContact O-N 3.45Å; L84-C87 PolarHBondContact O-N 3.23Å; L84-L88 HydrophobicContact CD2-CD1 3.43Å; L84-L88 VanDerWaalsContact CD2-CD1 3.43Å; L84-L88 HydrophobicContact CD2-CG 4.11Å; L84-L88 HydrophobicContact CG-CD1 4.11Å; L84-L88 HydrophobicContact CG-CG 4.27Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 WeakPolarHBondContact O-CG 3.3Å; L84-L88 PolarHBondContact O-N 3.44Å
85	H	69.1	Low	61.2	Low	133 Å²	133	94.3 Å²	94.3	62%	0.616	49%	0.491	S	S	*	.	H	α-helix	trans	-67.9	-28.9	177.7	-153.8	84.7	0	0	0	113.1	I81 F82 L83 P89	I81-H85 VanDerWaalsContact O-CB 3.27Å; I81-H85 WeakPolarHBondContact O-CB 3.33Å; I81-H85 PolarHBondContact O-N 3.44Å; F82-H85 PolarHBondContact O-N 2.85Å; L83-H85 VanDerWaalsContact C-N 3.34Å; H85-P89 WeakPolarHBondContact O-CD 3.29Å; H85-P89 VanDerWaalsContact O-CG 3.24Å; H85-P89 WeakPolarHBondContact O-CG 3.45Å
86	L	63.6	Low	61.4	Low	96 Å²	96	92 Å²	92	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-79.3	-31.6	172.2	-73.5	175.3	0	0	0	112.7	F82 L83 L84	F82-L86 HydrophobicContact CD1-CD1 3.86Å; F82-L86 HydrophobicContact CE1-CD1 3.35Å; F82-L86 HydrophobicContact CE1-CG 4.23Å; F82-L86 HydrophobicContact CE2-CD1 4.49Å; F82-L86 HydrophobicContact CZ-CD1 3.72Å; F82-L86 HydrophobicContact CZ-CG 4.26Å; F82-L86 WeakPolarHBondContact O-CG 3.37Å; F82-L86 PolarHBondContact O-N 3.22Å; L83-L86 PolarHBondContact O-N 3.1Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-L86 PolarHBondContact O-N 3.45Å
87	C	59.4	Low	62	Low	81 Å²	81	94.3 Å²	94.3	55%	0.547	49%	0.49	S	S	.	.	H	α-helix	trans	-81.2	-32.3	-179.3	-139.3	0	0	0	0	112.6	L83 L84 K90 A91	L83-C87 WeakPolarHBondContact O-CB 3.25Å; L83-C87 PolarHBondContact O-N 3.42Å; L84-C87 PolarHBondContact O-N 3.23Å; C87-K90 PolarHBondContact O-N 3.33Å; C87-A91 PolarHBondContact O-N 2.96Å; C87-A91 VanDerWaalsContact O-N 3.1Å
88	L	57.9	Low	62.6	Low	58 Å²	58	97.3 Å²	97.3	30%	0.304	51%	0.51	S	S	.	.	H	α-helix	trans	-60.1	-45.9	179.8	-82.4	171.2	0	0	0	115	L84 K90 A91 Y92 L103	L84-L88 HydrophobicContact CD2-CD1 3.43Å; L84-L88 VanDerWaalsContact CD2-CD1 3.43Å; L84-L88 HydrophobicContact CD2-CG 4.11Å; L84-L88 HydrophobicContact CG-CD1 4.11Å; L84-L88 HydrophobicContact CG-CG 4.27Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.37Å; L84-L88 WeakPolarHBondContact O-CG 3.3Å; L84-L88 PolarHBondContact O-N 3.44Å; L88-K90 PolarHBondContact O-N 3.09Å; L88-A91 PolarHBondContact O-N 3.1Å; L88-Y92 WeakPolarHBondContact O-CB 3.36Å; L88-Y92 PolarHBondContact O-N 3.46Å; L88-L103 HydrophobicContact CD2-CD2 4.06Å
89	P	55.6	Low	63.2	Low	74 Å²	74	94.1 Å²	94.1	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-36.8	179.7	-4.2	2.5	0	0	0	111.6	H85 Y92 V93	H85-P89 WeakPolarHBondContact O-CD 3.29Å; H85-P89 VanDerWaalsContact O-CG 3.24Å; H85-P89 WeakPolarHBondContact O-CG 3.45Å; P89-Y92 PolarHBondContact O-N 2.89Å; P89-V93 WeakPolarHBondContact O-CG2 3.09Å; P89-V93 PolarHBondContact O-N 3.45Å
90	K	54.2	Low	63.2	Low	159 Å²	159	92.2 Å²	92.2	69%	0.691	48%	0.482	S	S	*	.	H	α-helix	trans	-67.6	-45.6	176.7	-68.2	-173.9	177	179.4	0	111.5	C87 L88 Y92 V93	C87-K90 PolarHBondContact O-N 3.33Å; L88-K90 PolarHBondContact O-N 3.09Å; K90-Y92 VanDerWaalsContact C-N 3.33Å; K90-Y92 PolarHBondContact O-N 2.7Å; K90-V93 PolarHBondContact O-N 3.34Å
91	A	54.1	Low	63.9	Low	48 Å²	48	96.8 Å²	96.8	40%	0.397	50%	0.503	S	S	.	.	H	α-helix	trans	-68.2	-31.2	177.5	0	0	0	0	0	113.1	C87 L88 V93 E94 A95	C87-A91 PolarHBondContact O-N 2.96Å; C87-A91 VanDerWaalsContact O-N 3.1Å; L88-A91 PolarHBondContact O-N 3.1Å; A91-V93 VanDerWaalsContact C-N 3.35Å; A91-V93 PolarHBondContact O-N 3.5Å; A91-E94 PolarHBondContact O-N 2.93Å; A91-A95 WeakPolarHBondContact O-CB 3.29Å; A91-A95 PolarHBondContact O-N 3.33Å
92	Y	50.5	Low	64.5	Low	134 Å²	134	96.5 Å²	96.5	53%	0.525	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-35.9	179	-176.5	-104.8	0	0	0	111.7	L88 P89 K90 E94 R100	L88-Y92 WeakPolarHBondContact O-CB 3.36Å; L88-Y92 PolarHBondContact O-N 3.46Å; P89-Y92 PolarHBondContact O-N 2.89Å; K90-Y92 VanDerWaalsContact C-N 3.33Å; K90-Y92 PolarHBondContact O-N 2.7Å; Y92-E94 VanDerWaalsContact C-N 3.33Å; Y92-E94 PolarHBondContact O-N 2.75Å; Y92-R100 HydrophobicContact CD2-CG 4.3Å; Y92-R100 HydrophobicContact CE2-CB 4.39Å; Y92-R100 HydrophobicContact CE2-CG 4.1Å; Y92-R100 PolarHBondContact O-NE 2.92Å; Y92-R100 PolarHBondContact O-NH1 2.82Å; Y92-R100 PolarHBondContact O-NH2 2.97Å
93	V	56.2	Low	64.9	Low	108 Å²	108	94.3 Å²	94.3	66%	0.655	50%	0.495	S	S	*	.	H	α-helix	trans	-69	-33.2	-179.9	175.1	0	0	0	0	111.9	P89 K90 A91 R100	P89-V93 WeakPolarHBondContact O-CG2 3.09Å; P89-V93 PolarHBondContact O-N 3.45Å; K90-V93 PolarHBondContact O-N 3.34Å; A91-V93 VanDerWaalsContact C-N 3.35Å; A91-V93 PolarHBondContact O-N 3.5Å; V93-R100 PolarHBondContact O-NH2 3.35Å; V93-R100 VanDerWaalsContact O-NH2 3.11Å
94	E	56.5	Low	65.5	Low	169 Å²	169	92.1 Å²	92.1	79%	0.79	49%	0.491	S	S	*	.	H	α-helix	trans	-98	-14.2	-169.8	-64.2	179.2	175.8	0	0	114.7	A91 Y92	A91-E94 PolarHBondContact O-N 2.93Å; Y92-E94 VanDerWaalsContact C-N 3.33Å; Y92-E94 PolarHBondContact O-N 2.75Å
95	A	58.6	Low	66.3	Low	26 Å²	26	92.1 Å²	92.1	22%	0.215	50%	0.497	C	S	.	.	S	Bend	trans	-82.2	139.6	-172.9	0	0	0	0	0	113.7	A91 T99 R100	A91-A95 WeakPolarHBondContact O-CB 3.29Å; A91-A95 PolarHBondContact O-N 3.33Å; A95-T99 HydrophobicContact CB-CG2 4.21Å; A95-R100 PolarHBondContact O-NE 3.32Å; A95-R100 VanDerWaalsContact O-NE 3.08Å
96	P	65.3	Low	66.8	Low	56 Å²	56	90.6 Å²	90.6	36%	0.364	49%	0.492	S	S	.	.			trans	-61.3	152.9	174.8	25	-33	0	0	0	111.8	L98 T99 R100	P96-L98 PolarHBondContact O-N 3.21Å; P96-L98 VanDerWaalsContact O-N 3.08Å; P96-T99 WeakPolarHBondContact O-CB 3.46Å; P96-T99 PolarHBondContact O-N 3.24Å; P96-R100 PolarHBondContact O-N 3.05Å
97	I	75.4	Confident	67.5	Low	134 Å²	134	92.7 Å²	92.7	69%	0.687	50%	0.497	S	S	*	.	H	α-helix	trans	-50.8	-40.9	-169.5	-64.3	160.1	0	0	0	112.6	T99 R100 I101	I97-T99 PolarHBondContact O-N 3.02Å; I97-R100 WeakPolarHBondContact O-CB 3.21Å; I97-R100 PolarHBondContact O-N 3.46Å; I97-I101 HydrophobicContact CG2-CD1 4.22Å; I97-I101 PolarHBondContact O-N 3.03Å
98	L	72.7	Confident	68.3	Low	122 Å²	122	93.8 Å²	93.8	64%	0.639	50%	0.497	S	S	*	.	H	α-helix	trans	-60.6	-44.4	179.4	-172.2	71.4	0	0	0	112.2	P96 R100 I101 I102	P96-L98 PolarHBondContact O-N 3.21Å; P96-L98 VanDerWaalsContact O-N 3.08Å; L98-R100 PolarHBondContact O-N 3.3Å; L98-I101 PolarHBondContact O-N 2.83Å; L98-I102 HydrophobicContact CG-CD1 4.08Å; L98-I102 WeakPolarHBondContact O-CG1 3.31Å; L98-I102 PolarHBondContact O-N 3.44Å
99	T	74.4	Confident	69	Low	70 Å²	70	100.4 Å²	100.4	43%	0.429	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-34.3	179.5	-50.6	0	0	0	0	111.2	A95 P96 I97 I102 L103	A95-T99 HydrophobicContact CB-CG2 4.21Å; P96-T99 WeakPolarHBondContact O-CB 3.46Å; P96-T99 PolarHBondContact O-N 3.24Å; I97-T99 PolarHBondContact O-N 3.02Å; T99-I102 PolarHBondContact O-N 3.26Å; T99-L103 VanDerWaalsContact O-CB 3.26Å; T99-L103 WeakPolarHBondContact O-CB 3.48Å; T99-L103 PolarHBondContact O-N 3.49Å
100	R	70.5	Confident	69.9	Low	76 Å²	76	99.1 Å²	99.1	29%	0.287	51%	0.514	S	S	.	.	H	α-helix	trans	-66.5	-41.4	176.5	-60.4	-177.1	-175.1	-142	9.1	112.1	Y92 V93 A95 P96 I97 L98 L103 A104	Y92-R100 HydrophobicContact CD2-CG 4.3Å; Y92-R100 HydrophobicContact CE2-CB 4.39Å; Y92-R100 HydrophobicContact CE2-CG 4.1Å; Y92-R100 PolarHBondContact O-NE 2.92Å; Y92-R100 PolarHBondContact O-NH1 2.82Å; Y92-R100 PolarHBondContact O-NH2 2.97Å; V93-R100 PolarHBondContact O-NH2 3.35Å; V93-R100 VanDerWaalsContact O-NH2 3.11Å; A95-R100 PolarHBondContact O-NE 3.32Å; A95-R100 VanDerWaalsContact O-NE 3.08Å; P96-R100 PolarHBondContact O-N 3.05Å; I97-R100 WeakPolarHBondContact O-CB 3.21Å; I97-R100 PolarHBondContact O-N 3.46Å; L98-R100 PolarHBondContact O-N 3.3Å; R100-L103 PolarHBondContact O-N 3.33Å; R100-A104 VanDerWaalsContact O-CB 3.28Å; R100-A104 WeakPolarHBondContact O-CB 3.42Å; R100-A104 PolarHBondContact O-N 3.3Å
101	I	80.5	Confident	71	Confident	109 Å²	109	93.2 Å²	93.2	56%	0.559	49%	0.493	S	S	*	.	H	α-helix	trans	-64.7	-45	177.6	-62.5	167.4	0	0	0	110.2	I97 L98 A104 S105	I97-I101 HydrophobicContact CG2-CD1 4.22Å; I97-I101 PolarHBondContact O-N 3.03Å; L98-I101 PolarHBondContact O-N 2.83Å; I101-A104 PolarHBondContact O-N 3.45Å; I101-S105 PolarHBondContact O-N 2.93Å
102	I	80.7	Confident	72.2	Confident	86 Å²	86	99.9 Å²	99.9	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-48.1	177.4	-64.6	168.5	0	0	0	110.1	L98 T99 A104 S105 I106	L98-I102 HydrophobicContact CG-CD1 4.08Å; L98-I102 WeakPolarHBondContact O-CG1 3.31Å; L98-I102 PolarHBondContact O-N 3.44Å; T99-I102 PolarHBondContact O-N 3.26Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.09Å; I102-S105 PolarHBondContact O-N 2.92Å; I102-S105 PolarHBondContact O-OG 2.82Å; I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 WeakPolarHBondContact O-CG1 3.37Å; I102-I106 PolarHBondContact O-N 3.48Å
103	L	77.2	Confident	73.6	Confident	77 Å²	77	97.5 Å²	97.5	40%	0.403	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-41.8	178.9	-169.3	69.6	0	0	0	112	L88 T99 R100 S105 I106 F107	L88-L103 HydrophobicContact CD2-CD2 4.06Å; T99-L103 VanDerWaalsContact O-CB 3.26Å; T99-L103 WeakPolarHBondContact O-CB 3.48Å; T99-L103 PolarHBondContact O-N 3.49Å; R100-L103 PolarHBondContact O-N 3.33Å; L103-S105 PolarHBondContact O-N 3.19Å; L103-I106 PolarHBondContact O-N 3.31Å; L103-F107 WeakPolarHBondContact O-CB 3.38Å; L103-F107 PolarHBondContact O-N 3.28Å
104	A	79.3	Confident	74.5	Confident	54 Å²	54	95.6 Å²	95.6	45%	0.446	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-42.1	175.3	0	0	0	0	0	111.8	R100 I101 I102 I106 F107 L108	R100-A104 VanDerWaalsContact O-CB 3.28Å; R100-A104 WeakPolarHBondContact O-CB 3.42Å; R100-A104 PolarHBondContact O-N 3.3Å; I101-A104 PolarHBondContact O-N 3.45Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.09Å; A104-I106 PolarHBondContact O-N 3.49Å; A104-F107 PolarHBondContact O-N 3.14Å; A104-L108 WeakPolarHBondContact O-CG 3.34Å; A104-L108 PolarHBondContact O-N 2.97Å
105	S	80.3	Confident	75.6	Confident	65 Å²	65	93.7 Å²	93.7	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177	75.6	0	0	0	0	112.7	I101 I102 L103 L108 R109	I101-S105 PolarHBondContact O-N 2.93Å; I102-S105 PolarHBondContact O-N 2.92Å; I102-S105 PolarHBondContact O-OG 2.82Å; L103-S105 PolarHBondContact O-N 3.19Å; S105-L108 PolarHBondContact O-N 2.71Å; S105-R109 PolarHBondContact O-N 2.96Å
106	I	80.9	Confident	76.6	Confident	100 Å²	100	97 Å²	97	51%	0.513	50%	0.503	S	S	.	.	H	α-helix	trans	-65	-43.3	175.3	-67.6	165.9	0	0	0	109.9	I102 L103 A104 R109 A110	I102-I106 HydrophobicContact CG2-CD1 3.85Å; I102-I106 WeakPolarHBondContact O-CG1 3.37Å; I102-I106 PolarHBondContact O-N 3.48Å; L103-I106 PolarHBondContact O-N 3.31Å; A104-I106 PolarHBondContact O-N 3.49Å; I106-R109 PolarHBondContact O-N 3.49Å; I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 3.41Å
107	F	77.3	Confident	77.1	Confident	141 Å²	141	97.8 Å²	97.8	62%	0.618	51%	0.507	S	S	*	.	H	α-helix	trans	-64	-42.3	178.2	-169.5	-98	0	0	0	112.3	L103 A104 R109 A110 S111	L103-F107 WeakPolarHBondContact O-CB 3.38Å; L103-F107 PolarHBondContact O-N 3.28Å; A104-F107 PolarHBondContact O-N 3.14Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 2.99Å; F107-A110 PolarHBondContact O-N 3.4Å; F107-S111 WeakPolarHBondContact O-CB 3.4Å; F107-S111 PolarHBondContact O-N 3.1Å; F107-S111 PolarHBondContact O-OG 3.21Å
108	L	75.9	Confident	77.2	Confident	104 Å²	104	95.8 Å²	95.8	55%	0.545	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-35.6	174.5	-73.5	172.8	0	0	0	112.5	A104 S105 S111 R112	A104-L108 WeakPolarHBondContact O-CG 3.34Å; A104-L108 PolarHBondContact O-N 2.97Å; S105-L108 PolarHBondContact O-N 2.71Å; L108-S111 PolarHBondContact O-OG 3.17Å; L108-S111 VanDerWaalsContact O-OG 3.05Å; L108-R112 VanDerWaalsContact O-CG 3.31Å; L108-R112 WeakPolarHBondContact O-CG 3.34Å; L108-R112 PolarHBondContact O-N 3.49Å
109	R	72.9	Confident	77.2	Confident	197 Å²	197	94.9 Å²	94.9	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-70.5	-43.3	174.7	-166.8	174.3	-171.8	174.5	2	111.1	S105 I106 F107 R112 V113	S105-R109 PolarHBondContact O-N 2.96Å; I106-R109 PolarHBondContact O-N 3.49Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 2.99Å; R109-R112 PolarHBondContact O-N 2.88Å; R109-V113 WeakPolarHBondContact O-CG2 3.37Å; R109-V113 PolarHBondContact O-N 2.95Å; R109-V113 VanDerWaalsContact O-N 3.1Å
110	A	75.3	Confident	77.1	Confident	47 Å²	47	96.6 Å²	96.6	39%	0.388	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-43.6	177.3	0	0	0	0	0	111.5	I106 F107 R112 V113 T114	I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 3.41Å; F107-A110 PolarHBondContact O-N 3.4Å; A110-R112 PolarHBondContact O-N 3.01Å; A110-V113 PolarHBondContact O-N 3.31Å; A110-T114 WeakPolarHBondContact O-CG2 3.47Å; A110-T114 PolarHBondContact O-N 3Å; A110-T114 PolarHBondContact O-OG1 2.93Å
111	S	77.4	Confident	77.2	Confident	35 Å²	35	95.7 Å²	95.7	25%	0.245	51%	0.507	C	S	.	.	H	α-helix	trans	-65.3	-37.2	179.1	68.9	0	0	0	0	112.6	F107 L108 T114 H115	F107-S111 WeakPolarHBondContact O-CB 3.4Å; F107-S111 PolarHBondContact O-N 3.1Å; F107-S111 PolarHBondContact O-OG 3.21Å; L108-S111 PolarHBondContact O-OG 3.17Å; L108-S111 VanDerWaalsContact O-OG 3.05Å; S111-T114 WeakPolarHBondContact CA-OG1 3.39Å; S111-T114 PolarHBondContact O-N 3.5Å; S111-T114 PolarHBondContact O-OG1 3.29Å; S111-H115 WeakPolarHBondContact O-CB 3.44Å; S111-H115 PolarHBondContact O-CD2 3.33Å; S111-H115 PolarHBondContact O-N 3.34Å
112	R	79	Confident	76.7	Confident	187 Å²	187	94.4 Å²	94.4	71%	0.706	50%	0.501	S	S	*	.	H	α-helix	trans	-63.2	-45.3	172.8	-74.5	176.6	-178.9	-174.1	1.3	111.5	L108 R109 A110 H115 V116	L108-R112 VanDerWaalsContact O-CG 3.31Å; L108-R112 WeakPolarHBondContact O-CG 3.34Å; L108-R112 PolarHBondContact O-N 3.49Å; R109-R112 PolarHBondContact O-N 2.88Å; A110-R112 PolarHBondContact O-N 3.01Å; R112-H115 PolarHBondContact O-N 3.27Å; R112-V116 WeakPolarHBondContact O-CG2 3.18Å; R112-V116 PolarHBondContact O-N 3.46Å
113	V	79.6	Confident	76.1	Confident	85 Å²	85	95.9 Å²	95.9	52%	0.515	51%	0.509	S	S	.	.	H	α-helix	trans	-63.5	-43.7	177.6	175.2	0	0	0	0	110.3	R109 A110 H115 V116 T117	R109-V113 WeakPolarHBondContact O-CG2 3.37Å; R109-V113 PolarHBondContact O-N 2.95Å; R109-V113 VanDerWaalsContact O-N 3.1Å; A110-V113 PolarHBondContact O-N 3.31Å; V113-H115 PolarHBondContact O-N 2.9Å; V113-V116 PolarHBondContact O-N 3.47Å; V113-T117 HydrophobicContact CG1-CG2 4.16Å; V113-T117 VanDerWaalsContact O-CG2 3.3Å; V113-T117 WeakPolarHBondContact O-CG2 3.46Å; V113-T117 PolarHBondContact O-N 2.88Å; V113-T117 PolarHBondContact O-OG1 3.33Å
114	T	75.4	Confident	75.5	Confident	68 Å²	68	96 Å²	96	42%	0.417	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-38.6	178.2	58.8	0	0	0	0	112.4	A110 S111 T117 I118	A110-T114 WeakPolarHBondContact O-CG2 3.47Å; A110-T114 PolarHBondContact O-N 3Å; A110-T114 PolarHBondContact O-OG1 2.93Å; S111-T114 WeakPolarHBondContact CA-OG1 3.39Å; S111-T114 PolarHBondContact O-N 3.5Å; S111-T114 PolarHBondContact O-OG1 3.29Å; T114-T117 WeakPolarHBondContact CA-OG1 3.28Å; T114-T117 PolarHBondContact O-N 2.83Å; T114-T117 PolarHBondContact O-OG1 3.21Å; T114-I118 VanDerWaalsContact O-CB 3.29Å; T114-I118 WeakPolarHBondContact O-CB 3.5Å; T114-I118 VanDerWaalsContact O-CD1 3.29Å; T114-I118 WeakPolarHBondContact O-CD1 3.25Å; T114-I118 WeakPolarHBondContact O-CG1 3.22Å; T114-I118 PolarHBondContact O-N 3.07Å
115	H	80	Confident	74.4	Confident	128 Å²	128	99.6 Å²	99.6	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-43.2	174.4	-94.5	-88.8	0	0	0	112.1	S111 R112 V113 I118 L119	S111-H115 WeakPolarHBondContact O-CB 3.44Å; S111-H115 PolarHBondContact O-CD2 3.33Å; S111-H115 PolarHBondContact O-N 3.34Å; R112-H115 PolarHBondContact O-N 3.27Å; V113-H115 PolarHBondContact O-N 2.9Å; H115-I118 PolarHBondContact O-N 2.88Å; H115-L119 WeakPolarHBondContact O-CB 3.33Å; H115-L119 WeakPolarHBondContact O-CG 3.42Å; H115-L119 PolarHBondContact O-N 3.44Å
116	V	78	Confident	73.1	Confident	95 Å²	95	100.5 Å²	100.5	58%	0.576	52%	0.515	S	S	*	.	H	α-helix	trans	-68.6	-39.5	178	175.9	0	0	0	0	111.2	R112 V113 L119 L120	R112-V116 WeakPolarHBondContact O-CG2 3.18Å; R112-V116 PolarHBondContact O-N 3.46Å; V113-V116 PolarHBondContact O-N 3.47Å; V116-L119 PolarHBondContact O-N 3.48Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 PolarHBondContact O-N 3.34Å
117	T	76.4	Confident	71.9	Confident	73 Å²	73	105.4 Å²	105.4	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-69.4	-35.1	176.3	59.3	0	0	0	0	112	V113 T114 L120 A121	V113-T117 HydrophobicContact CG1-CG2 4.16Å; V113-T117 VanDerWaalsContact O-CG2 3.3Å; V113-T117 WeakPolarHBondContact O-CG2 3.46Å; V113-T117 PolarHBondContact O-N 2.88Å; V113-T117 PolarHBondContact O-OG1 3.33Å; T114-T117 WeakPolarHBondContact CA-OG1 3.28Å; T114-T117 PolarHBondContact O-N 2.83Å; T114-T117 PolarHBondContact O-OG1 3.21Å; T117-L120 PolarHBondContact O-N 2.94Å; T117-A121 WeakPolarHBondContact O-CB 3.35Å; T117-A121 PolarHBondContact O-N 3.22Å
118	I	77.7	Confident	70.7	Confident	93 Å²	93	103.6 Å²	103.6	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-66.1	-44.7	173	-69.8	162	0	0	0	109.9	T114 H115 L120 A121 L122	T114-I118 VanDerWaalsContact O-CB 3.29Å; T114-I118 WeakPolarHBondContact O-CB 3.5Å; T114-I118 VanDerWaalsContact O-CD1 3.29Å; T114-I118 WeakPolarHBondContact O-CD1 3.25Å; T114-I118 WeakPolarHBondContact O-CG1 3.22Å; T114-I118 PolarHBondContact O-N 3.07Å; H115-I118 PolarHBondContact O-N 2.88Å; I118-L120 PolarHBondContact O-N 3.24Å; I118-A121 PolarHBondContact O-N 3.23Å; I118-L122 HydrophobicContact CG2-CD1 4.01Å; I118-L122 HydrophobicContact CG2-CG 4.33Å; I118-L122 WeakPolarHBondContact O-CB 3.18Å; I118-L122 VanDerWaalsContact O-CG 3.25Å; I118-L122 WeakPolarHBondContact O-CG 3.45Å; I118-L122 PolarHBondContact O-N 3.26Å
119	L	72.3	Confident	69.4	Low	103 Å²	103	104.4 Å²	104.4	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-43.5	175.1	-77.5	169.7	0	0	0	111.8	H115 V116 L122 L123	H115-L119 WeakPolarHBondContact O-CB 3.33Å; H115-L119 WeakPolarHBondContact O-CG 3.42Å; H115-L119 PolarHBondContact O-N 3.44Å; V116-L119 PolarHBondContact O-N 3.48Å; L119-L122 PolarHBondContact O-N 3.23Å; L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.78Å
120	L	73.5	Confident	68.4	Low	106 Å²	106	100.9 Å²	100.9	56%	0.555	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-43	175.4	-177	64.5	0	0	0	111.4	V116 T117 I118 L122 L123 V124	V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 PolarHBondContact O-N 3.34Å; T117-L120 PolarHBondContact O-N 2.94Å; I118-L120 PolarHBondContact O-N 3.24Å; L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 PolarHBondContact O-N 2.83Å; L120-L123 PolarHBondContact O-N 3.39Å; L120-V124 HydrophobicContact CD1-CG2 4.15Å; L120-V124 HydrophobicContact CG-CG2 4.3Å; L120-V124 WeakPolarHBondContact O-CB 3.27Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.41Å; L120-V124 PolarHBondContact O-N 3.04Å
121	A	71.4	Confident	67.4	Low	57 Å²	57	105.5 Å²	105.5	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-36.8	176.9	0	0	0	0	0	111.4	T117 I118 R125	T117-A121 WeakPolarHBondContact O-CB 3.35Å; T117-A121 PolarHBondContact O-N 3.22Å; I118-A121 PolarHBondContact O-N 3.23Å; A121-R125 WeakPolarHBondContact O-CB 3.26Å; A121-R125 PolarHBondContact O-N 3.21Å
122	L	69.6	Low	66	Low	81 Å²	81	108.9 Å²	108.9	42%	0.424	54%	0.544	S	S	.	.	H	α-helix	trans	-67.4	-45.7	172.4	-72.2	174.4	0	0	0	111.1	I118 L119 L120 V124 R125 D126	I118-L122 HydrophobicContact CG2-CD1 4.01Å; I118-L122 HydrophobicContact CG2-CG 4.33Å; I118-L122 WeakPolarHBondContact O-CB 3.18Å; I118-L122 VanDerWaalsContact O-CG 3.25Å; I118-L122 WeakPolarHBondContact O-CG 3.45Å; I118-L122 PolarHBondContact O-N 3.26Å; L119-L122 PolarHBondContact O-N 3.23Å; L120-L122 VanDerWaalsContact C-N 3.3Å; L120-L122 PolarHBondContact O-N 2.83Å; L122-V124 PolarHBondContact O-N 3.08Å; L122-R125 CarbonylContact O-C 3.59Å; L122-R125 PolarHBondContact O-N 2.95Å; L122-D126 VanDerWaalsContact O-CB 3.28Å; L122-D126 WeakPolarHBondContact O-CB 3.28Å; L122-D126 PolarHBondContact O-N 2.84Å
123	L	68.6	Low	64.3	Low	118 Å²	118	107 Å²	107	62%	0.618	54%	0.537	S	S	*	.	H	α-helix	trans	-61.3	-44.7	176.1	-78.4	170.6	0	0	0	112.4	L119 L120 D126 Y127	L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.78Å; L120-L123 PolarHBondContact O-N 3.39Å; L123-D126 PolarHBondContact O-N 2.86Å; L123-Y127 VanDerWaalsContact O-CB 3.31Å; L123-Y127 WeakPolarHBondContact O-CB 3.38Å; L123-Y127 PolarHBondContact O-N 3.09Å
124	V	64.3	Low	62.9	Low	78 Å²	78	106.9 Å²	106.9	47%	0.473	53%	0.533	S	S	.	.	H	α-helix	trans	-67.7	-39.4	177	172.1	0	0	0	0	110.5	L120 L122 Y127 V128	L120-V124 HydrophobicContact CD1-CG2 4.15Å; L120-V124 HydrophobicContact CG-CG2 4.3Å; L120-V124 WeakPolarHBondContact O-CB 3.27Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.41Å; L120-V124 PolarHBondContact O-N 3.04Å; L122-V124 PolarHBondContact O-N 3.08Å; V124-Y127 PolarHBondContact O-N 3.4Å; V124-V128 HydrophobicContact CG1-CG2 4.39Å; V124-V128 WeakPolarHBondContact O-CB 3.43Å; V124-V128 WeakPolarHBondContact O-CG2 3.38Å; V124-V128 PolarHBondContact O-N 3.49Å
125	R	56.7	Low	62	Low	131 Å²	131	108.4 Å²	108.4	49%	0.494	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-43.9	174.8	-176.3	174	177.6	179	-1.7	110.8	A121 L122 Y127 V128 Y129	A121-R125 WeakPolarHBondContact O-CB 3.26Å; A121-R125 PolarHBondContact O-N 3.21Å; L122-R125 CarbonylContact O-C 3.59Å; L122-R125 PolarHBondContact O-N 2.95Å; R125-Y127 VanDerWaalsContact C-N 3.3Å; R125-Y127 PolarHBondContact O-N 3.44Å; R125-V128 PolarHBondContact O-N 2.8Å; R125-Y129 HydrophobicContact CG-CD2 3.67Å; R125-Y129 HydrophobicContact CG-CE2 4.11Å; R125-Y129 HydrophobicContact CG-CG 4.47Å; R125-Y129 WeakPolarHBondContact O-CB 3.19Å; R125-Y129 WeakPolarHBondContact O-CD2 3.35Å; R125-Y129 PolarHBondContact O-N 3.24Å
126	D	53.2	Low	60.9	Low	84 Å²	84	109.7 Å²	109.7	45%	0.449	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-35.4	177.1	-71.2	-23.7	0	0	0	110.9	L122 L123 F130	L122-D126 VanDerWaalsContact O-CB 3.28Å; L122-D126 WeakPolarHBondContact O-CB 3.28Å; L122-D126 PolarHBondContact O-N 2.84Å; L123-D126 PolarHBondContact O-N 2.86Å; D126-F130 WeakPolarHBondContact O-CB 3.33Å; D126-F130 PolarHBondContact O-N 3.45Å
127	Y	55	Low	59.7	Low	202 Å²	202	109.6 Å²	109.6	79%	0.792	54%	0.538	S	S	*	.	H	α-helix	trans	-68	-43.6	174.5	-171.5	-99.8	0	0	0	112.7	L123 V124 R125	L123-Y127 VanDerWaalsContact O-CB 3.31Å; L123-Y127 WeakPolarHBondContact O-CB 3.38Å; L123-Y127 PolarHBondContact O-N 3.09Å; V124-Y127 PolarHBondContact O-N 3.4Å; R125-Y127 VanDerWaalsContact C-N 3.3Å; R125-Y127 PolarHBondContact O-N 3.44Å
128	V	53.1	Low	59	Low	103 Å²	103	113.2 Å²	113.2	62%	0.624	55%	0.551	S	S	*	*	H	α-helix	trans	-82.3	-26.6	-177.3	176.7	0	0	0	0	112.6	V124 R125	V124-V128 HydrophobicContact CG1-CG2 4.39Å; V124-V128 WeakPolarHBondContact O-CB 3.43Å; V124-V128 WeakPolarHBondContact O-CG2 3.38Å; V124-V128 PolarHBondContact O-N 3.49Å; R125-V128 PolarHBondContact O-N 2.8Å
129	Y	49.1	Very low	58.4	Low	122 Å²	122	113.2 Å²	113.2	48%	0.478	55%	0.551	S	S	.	*	H	α-helix	trans	-96	0.8	179.1	-81.5	-94.1	0	0	0	114.6	R125 E131 N132 R133	R125-Y129 HydrophobicContact CG-CD2 3.67Å; R125-Y129 HydrophobicContact CG-CE2 4.11Å; R125-Y129 HydrophobicContact CG-CG 4.47Å; R125-Y129 WeakPolarHBondContact O-CB 3.19Å; R125-Y129 WeakPolarHBondContact O-CD2 3.35Å; R125-Y129 PolarHBondContact O-N 3.24Å; Y129-E131 VanDerWaalsContact C-N 3.29Å; Y129-E131 PolarHBondContact O-N 2.85Å; Y129-N132 PolarHBondContact O-N 3.1Å; Y129-R133 PolarHBondContact O-N 3.24Å
130	F	50.2	Low	58	Low	123 Å²	123	110.7 Å²	110.7	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-54.5	-42.1	-173	-156.2	-102.1	0	0	0	112.9	D126 L134	D126-F130 WeakPolarHBondContact O-CB 3.33Å; D126-F130 PolarHBondContact O-N 3.45Å; F130-L134 HydrophobicContact CD1-CD1 3.79Å; F130-L134 HydrophobicContact CE1-CD1 3.46Å; F130-L134 VanDerWaalsContact CE1-CD1 3.46Å; F130-L134 HydrophobicContact CE1-CG 4.45Å; F130-L134 HydrophobicContact CZ-CD1 3.97Å; F130-L134 WeakPolarHBondContact O-CG 3.3Å; F130-L134 PolarHBondContact O-N 3.31Å
131	E	55.6	Low	57.4	Low	143 Å²	143	110.8 Å²	110.8	67%	0.668	54%	0.539	S	S	*	.	H	α-helix	trans	-68.8	-43.6	-177.4	-67	-60.2	137.5	0	0	112.9	Y129	Y129-E131 VanDerWaalsContact C-N 3.29Å; Y129-E131 PolarHBondContact O-N 2.85Å
132	N	47	Very low	56.9	Low	106 Å²	106	110.1 Å²	110.1	57%	0.567	54%	0.538	S	S	*	.	H	α-helix	trans	-83.3	-29.7	-172.9	-67.7	-28.7	0	0	0	112.9	Y129 F136	Y129-N132 PolarHBondContact O-N 3.1Å; N132-F136 PolarHBondContact O-N 3.36Å
133	R	44.6	Very low	56.5	Low	148 Å²	148	111.9 Å²	111.9	56%	0.558	55%	0.547	S	S	*	.	H	α-helix	trans	-77	-33.3	178.6	-102.9	-171.6	167.9	-145.7	-4.7	112.8	Y129 I135 F136 L137	Y129-R133 PolarHBondContact O-N 3.24Å; R133-I135 VanDerWaalsContact C-N 3.25Å; R133-I135 PolarHBondContact O-N 3.33Å; R133-F136 CarbonylContact O-C 3.58Å; R133-F136 PolarHBondContact O-N 3.23Å; R133-L137 WeakPolarHBondContact O-CB 3.36Å; R133-L137 PolarHBondContact O-N 2.76Å
134	L	49.7	Very low	56.2	Low	82 Å²	82	111 Å²	111	43%	0.429	54%	0.542	S	S	.	.	H	α-helix	trans	-60.6	-39	176.5	-75.9	176.2	0	0	0	111.3	F130 L137 M138	F130-L134 HydrophobicContact CD1-CD1 3.79Å; F130-L134 HydrophobicContact CE1-CD1 3.46Å; F130-L134 VanDerWaalsContact CE1-CD1 3.46Å; F130-L134 HydrophobicContact CE1-CG 4.45Å; F130-L134 HydrophobicContact CZ-CD1 3.97Å; F130-L134 WeakPolarHBondContact O-CG 3.3Å; F130-L134 PolarHBondContact O-N 3.31Å; L134-L137 PolarHBondContact O-N 2.96Å; L134-M138 VanDerWaalsContact O-CB 3.3Å; L134-M138 WeakPolarHBondContact O-CB 3.47Å; L134-M138 VanDerWaalsContact O-CG 3.22Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 3.43Å
135	I	56.3	Low	55.9	Low	100 Å²	100	116.5 Å²	116.5	51%	0.513	55%	0.554	S	S	.	*	H	α-helix	trans	-65.4	-48.8	175.2	-61	168.3	0	0	0	110.8	R133 L137 M138 I139	R133-I135 VanDerWaalsContact C-N 3.25Å; R133-I135 PolarHBondContact O-N 3.33Å; I135-L137 VanDerWaalsContact C-N 3.29Å; I135-L137 PolarHBondContact O-N 3.11Å; I135-M138 PolarHBondContact O-N 2.92Å; I135-I139 HydrophobicContact CG2-CD1 3.85Å; I135-I139 VanDerWaalsContact O-CG1 3.26Å; I135-I139 WeakPolarHBondContact O-CG1 2.82Å; I135-I139 PolarHBondContact O-N 3.08Å
136	F	56.6	Low	55.6	Low	156 Å²	156	115.9 Å²	115.9	68%	0.684	56%	0.561	S	S	*	*	H	α-helix	trans	-64.4	-32	176.7	-96.2	-82.3	0	0	0	113.2	N132 R133 S140	N132-F136 PolarHBondContact O-N 3.36Å; R133-F136 CarbonylContact O-C 3.58Å; R133-F136 PolarHBondContact O-N 3.23Å; F136-S140 WeakPolarHBondContact O-CB 3.24Å; F136-S140 PolarHBondContact O-N 3.19Å; F136-S140 PolarHBondContact O-OG 3.48Å
137	L	53.7	Low	55.9	Low	93 Å²	93	114.8 Å²	114.8	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-78.2	-36.7	178.2	-154.4	150.1	0	0	0	110.5	R133 L134 I135 S140 H141	R133-L137 WeakPolarHBondContact O-CB 3.36Å; R133-L137 PolarHBondContact O-N 2.76Å; L134-L137 PolarHBondContact O-N 2.96Å; I135-L137 VanDerWaalsContact C-N 3.29Å; I135-L137 PolarHBondContact O-N 3.11Å; L137-S140 WeakPolarHBondContact CA-OG 3.33Å; L137-S140 PolarHBondContact O-OG 2.87Å; L137-H141 HydrophobicContact CD2-CB 4.25Å; L137-H141 WeakPolarHBondContact O-CA 3.48Å; L137-H141 WeakPolarHBondContact O-CB 3.5Å; L137-H141 PolarHBondContact O-N 3.35Å
138	M	62	Low	55.9	Low	149 Å²	149	110.7 Å²	110.7	73%	0.734	55%	0.551	S	S	*	*	H	α-helix	trans	-62.5	-43	170.3	-76.8	-174.3	74	0	0	111.3	L134 I135 G142	L134-M138 VanDerWaalsContact O-CB 3.3Å; L134-M138 WeakPolarHBondContact O-CB 3.47Å; L134-M138 VanDerWaalsContact O-CG 3.22Å; L134-M138 WeakPolarHBondContact O-CG 3.48Å; L134-M138 PolarHBondContact O-N 3.43Å; I135-M138 PolarHBondContact O-N 2.92Å; M138-G142 PolarHBondContact O-N 3.37Å
139	I	64.7	Low	56.1	Low	93 Å²	93	107 Å²	107	48%	0.477	53%	0.534	S	S	.	.	H	α-helix	trans	-69	-49	177.6	-65.7	166.4	0	0	0	111	I135 G142 L143	I135-I139 HydrophobicContact CG2-CD1 3.85Å; I135-I139 VanDerWaalsContact O-CG1 3.26Å; I135-I139 WeakPolarHBondContact O-CG1 2.82Å; I135-I139 PolarHBondContact O-N 3.08Å; I139-G142 PolarHBondContact O-N 2.89Å; I139-L143 HydrophobicContact CG2-CD1 3.89Å; I139-L143 WeakPolarHBondContact O-CB 3.2Å; I139-L143 VanDerWaalsContact O-CG 3.27Å; I139-L143 WeakPolarHBondContact O-CG 3.24Å; I139-L143 PolarHBondContact O-N 3.45Å
140	S	64.1	Low	56.4	Low	49 Å²	49	106.7 Å²	106.7	34%	0.343	54%	0.539	S	S	.	.	H	α-helix	trans	-70.5	-39.5	-177.4	57.8	0	0	0	0	112.4	F136 L137 L143 I144	F136-S140 WeakPolarHBondContact O-CB 3.24Å; F136-S140 PolarHBondContact O-N 3.19Å; F136-S140 PolarHBondContact O-OG 3.48Å; L137-S140 WeakPolarHBondContact CA-OG 3.33Å; L137-S140 PolarHBondContact O-OG 2.87Å; S140-L143 PolarHBondContact O-N 2.82Å; S140-I144 VanDerWaalsContact O-CB 3.25Å; S140-I144 WeakPolarHBondContact O-CB 3.26Å; S140-I144 WeakPolarHBondContact O-CD1 3.48Å; S140-I144 WeakPolarHBondContact O-CG1 3.48Å; S140-I144 PolarHBondContact O-N 3.22Å
141	H	59.3	Low	56.7	Low	109 Å²	109	106.3 Å²	106.3	51%	0.505	54%	0.542	S	S	.	.	H	α-helix	trans	-71.5	-32.9	177.7	-156.1	-90.2	0	0	0	111.5	L137 R145	L137-H141 HydrophobicContact CD2-CB 4.25Å; L137-H141 WeakPolarHBondContact O-CA 3.48Å; L137-H141 WeakPolarHBondContact O-CB 3.5Å; L137-H141 PolarHBondContact O-N 3.35Å; H141-R145 WeakPolarHBondContact O-CB 3.49Å; H141-R145 PolarHBondContact O-N 3.42Å
142	G	62.6	Low	56.5	Low	42 Å²	42	102.9 Å²	102.9	43%	0.433	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-47.4	169.9	0	0	0	0	0	112.5	M138 I139 R145 N146	M138-G142 PolarHBondContact O-N 3.37Å; I139-G142 PolarHBondContact O-N 2.89Å; G142-R145 PolarHBondContact O-N 2.87Å; G142-N146 PolarHBondContact O-N 3.21Å; G142-N146 VanDerWaalsContact O-N 3.13Å
143	L	59.6	Low	56.8	Low	119 Å²	119	106.3 Å²	106.3	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-68.5	-37.5	179.4	-71	173.2	0	0	0	112.7	I139 S140 N146 S147	I139-L143 HydrophobicContact CG2-CD1 3.89Å; I139-L143 WeakPolarHBondContact O-CB 3.2Å; I139-L143 VanDerWaalsContact O-CG 3.27Å; I139-L143 WeakPolarHBondContact O-CG 3.24Å; I139-L143 PolarHBondContact O-N 3.45Å; S140-L143 PolarHBondContact O-N 2.82Å; L143-N146 PolarHBondContact O-N 3.44Å; L143-S147 WeakPolarHBondContact O-CB 3.21Å; L143-S147 PolarHBondContact O-N 3.49Å; L143-S147 PolarHBondContact O-OG 3.43Å; L143-S147 VanDerWaalsContact O-OG 3.13Å
144	I	63.6	Low	57.3	Low	100 Å²	100	102.7 Å²	102.7	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-71.4	-38.4	177.8	-69.5	163.4	0	0	0	111	S140 N146 S147 L148	S140-I144 VanDerWaalsContact O-CB 3.25Å; S140-I144 WeakPolarHBondContact O-CB 3.26Å; S140-I144 WeakPolarHBondContact O-CD1 3.48Å; S140-I144 WeakPolarHBondContact O-CG1 3.48Å; S140-I144 PolarHBondContact O-N 3.22Å; I144-N146 VanDerWaalsContact C-N 3.29Å; I144-N146 PolarHBondContact O-N 3.38Å; I144-S147 PolarHBondContact O-OG 3.22Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 PolarHBondContact O-N 2.86Å
145	R	58	Low	57.6	Low	193 Å²	193	101.6 Å²	101.6	73%	0.728	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-37.3	173.8	-116.9	-179.9	-164.7	-133.8	3.1	112	H141 G142 G149	H141-R145 WeakPolarHBondContact O-CB 3.49Å; H141-R145 PolarHBondContact O-N 3.42Å; G142-R145 PolarHBondContact O-N 2.87Å; R145-G149 PolarHBondContact O-N 3.11Å
146	N	50	Low	57.5	Low	118 Å²	118	100 Å²	100	63%	0.631	53%	0.528	S	S	*	.	H	α-helix	trans	-75.3	-37.4	-178.2	-137.2	9.7	0	0	0	112.1	G142 L143 I144 G149 I150	G142-N146 PolarHBondContact O-N 3.21Å; G142-N146 VanDerWaalsContact O-N 3.13Å; L143-N146 PolarHBondContact O-N 3.44Å; I144-N146 VanDerWaalsContact C-N 3.29Å; I144-N146 PolarHBondContact O-N 3.38Å; N146-G149 PolarHBondContact O-N 2.83Å; N146-I150 PolarHBondContact O-N 3.38Å
147	S	58.4	Low	57.4	Low	61 Å²	61	95.5 Å²	95.5	43%	0.427	52%	0.516	S	S	.	.	H	α-helix	trans	-70.8	-36.1	176.3	62.5	0	0	0	0	112.8	L143 I144 G149 I150 L151	L143-S147 WeakPolarHBondContact O-CB 3.21Å; L143-S147 PolarHBondContact O-N 3.49Å; L143-S147 PolarHBondContact O-OG 3.43Å; L143-S147 VanDerWaalsContact O-OG 3.13Å; I144-S147 PolarHBondContact O-OG 3.22Å; S147-G149 VanDerWaalsContact C-N 3.34Å; S147-I150 PolarHBondContact O-N 2.78Å; S147-L151 PolarHBondContact O-N 3.08Å
148	L	56.1	Low	57.6	Low	116 Å²	116	100.8 Å²	100.8	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-69	-33	176	-143.4	96	0	0	0	112.1	I144 L151 C152	I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 PolarHBondContact O-N 2.86Å; L148-L151 PolarHBondContact O-N 3.42Å; L148-C152 VanDerWaalsContact O-CB 3.23Å; L148-C152 WeakPolarHBondContact O-CB 3.24Å; L148-C152 PolarHBondContact O-N 2.9Å
149	G	56.4	Low	57.2	Low	26 Å²	26	99.1 Å²	99.1	27%	0.268	52%	0.523	S	S	.	.	H	α-helix	trans	-59.2	-47.6	173.6	0	0	0	0	0	112	R145 N146 S147 L151 C152 Y153	R145-G149 PolarHBondContact O-N 3.11Å; N146-G149 PolarHBondContact O-N 2.83Å; S147-G149 VanDerWaalsContact C-N 3.34Å; G149-L151 PolarHBondContact O-N 3.26Å; G149-C152 PolarHBondContact O-N 2.76Å; G149-Y153 WeakPolarHBondContact O-CD2 3.19Å; G149-Y153 PolarHBondContact O-N 3.13Å
150	I	57	Low	56.6	Low	114 Å²	114	99.8 Å²	99.8	59%	0.585	53%	0.527	S	S	*	.	H	α-helix	trans	-66.1	-39.6	-179.7	-63.2	169.5	0	0	0	111.5	N146 S147 T154	N146-I150 PolarHBondContact O-N 3.38Å; S147-I150 PolarHBondContact O-N 2.78Å; I150-T154 WeakPolarHBondContact O-CG2 3.18Å; I150-T154 PolarHBondContact O-N 3.4Å; I150-T154 VanDerWaalsContact O-N 3.08Å; I150-T154 PolarHBondContact O-OG1 3.01Å
151	L	54.9	Low	56.2	Low	116 Å²	116	106.1 Å²	106.1	61%	0.607	55%	0.545	S	S	*	.	H	α-helix	trans	-68.1	-35.5	175.1	-75.6	169.2	0	0	0	112.2	S147 L148 G149 T154 S155	S147-L151 PolarHBondContact O-N 3.08Å; L148-L151 PolarHBondContact O-N 3.42Å; G149-L151 PolarHBondContact O-N 3.26Å; L151-T154 WeakPolarHBondContact CA-OG1 3.08Å; L151-T154 PolarHBondContact O-OG1 3.28Å; L151-S155 PolarHBondContact O-N 2.98Å; L151-S155 VanDerWaalsContact O-N 3.14Å; L151-S155 PolarHBondContact O-OG 3.11Å
152	C	52.7	Low	56	Low	70 Å²	70	107.1 Å²	107.1	47%	0.473	55%	0.549	S	S	.	.	H	α-helix	trans	-70.9	-41.1	177	-163.9	0	0	0	0	111.6	L148 G149 T154 S155 T156	L148-C152 VanDerWaalsContact O-CB 3.23Å; L148-C152 WeakPolarHBondContact O-CB 3.24Å; L148-C152 PolarHBondContact O-N 2.9Å; G149-C152 PolarHBondContact O-N 2.76Å; C152-T154 PolarHBondContact O-N 3.33Å; C152-S155 WeakPolarHBondContact CA-OG 3.39Å; C152-S155 PolarHBondContact O-N 3.5Å; C152-S155 PolarHBondContact O-OG 3.4Å; C152-S155 VanDerWaalsContact O-OG 3.12Å; C152-T156 PolarHBondContact O-N 3.12Å; C152-T156 PolarHBondContact O-OG1 2.69Å
153	Y	52.1	Low	55.7	Low	179 Å²	179	110.1 Å²	110.1	70%	0.702	55%	0.552	S	S	*	*	H	α-helix	trans	-65.2	-36.8	175.3	-82.6	-68.5	0	0	0	112.9	G149 S155 T156 S157	G149-Y153 WeakPolarHBondContact O-CD2 3.19Å; G149-Y153 PolarHBondContact O-N 3.13Å; Y153-S155 VanDerWaalsContact C-N 3.35Å; Y153-T156 PolarHBondContact O-OG1 3.41Å; Y153-S157 VanDerWaalsContact O-CB 3.25Å; Y153-S157 WeakPolarHBondContact O-CB 3.44Å; Y153-S157 PolarHBondContact O-N 2.97Å; Y153-S157 PolarHBondContact O-OG 3.28Å
154	T	56.3	Low	55.5	Low	71 Å²	71	109.2 Å²	109.2	44%	0.436	55%	0.548	S	S	.	.	H	α-helix	trans	-71.6	-29.1	176.9	46.9	0	0	0	0	112.7	I150 L151 C152 S157 R158	I150-T154 WeakPolarHBondContact O-CG2 3.18Å; I150-T154 PolarHBondContact O-N 3.4Å; I150-T154 VanDerWaalsContact O-N 3.08Å; I150-T154 PolarHBondContact O-OG1 3.01Å; L151-T154 WeakPolarHBondContact CA-OG1 3.08Å; L151-T154 PolarHBondContact O-OG1 3.28Å; C152-T154 PolarHBondContact O-N 3.33Å; T154-S157 WeakPolarHBondContact CA-OG 3.35Å; T154-S157 PolarHBondContact O-OG 2.94Å; T154-S157 VanDerWaalsContact O-OG 3.12Å; T154-R158 WeakPolarHBondContact O-CG 3.31Å; T154-R158 PolarHBondContact O-N 3.47Å
155	S	54.6	Low	55.1	Low	60 Å²	60	109.4 Å²	109.4	42%	0.42	55%	0.55	S	S	.	.	H	α-helix	trans	-81.7	-39.5	176	39.4	0	0	0	0	113.1	L151 C152 Y153 R158 L159	L151-S155 PolarHBondContact O-N 2.98Å; L151-S155 VanDerWaalsContact O-N 3.14Å; L151-S155 PolarHBondContact O-OG 3.11Å; C152-S155 WeakPolarHBondContact CA-OG 3.39Å; C152-S155 PolarHBondContact O-N 3.5Å; C152-S155 PolarHBondContact O-OG 3.4Å; C152-S155 VanDerWaalsContact O-OG 3.12Å; Y153-S155 VanDerWaalsContact C-N 3.35Å; S155-R158 PolarHBondContact O-N 2.97Å; S155-L159 PolarHBondContact O-N 3.08Å
156	T	55.9	Low	55	Low	65 Å²	65	104.3 Å²	104.3	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-69.9	-36.2	174	48.5	0	0	0	0	112.8	C152 Y153 R158 L159 L160	C152-T156 PolarHBondContact O-N 3.12Å; C152-T156 PolarHBondContact O-OG1 2.69Å; Y153-T156 PolarHBondContact O-OG1 3.41Å; T156-R158 VanDerWaalsContact C-N 3.34Å; T156-R158 PolarHBondContact O-N 2.88Å; T156-L159 PolarHBondContact O-N 3.45Å; T156-L160 WeakPolarHBondContact O-CB 3.33Å; T156-L160 PolarHBondContact O-N 3.48Å
157	S	54	Low	55.4	Low	63 Å²	63	102.5 Å²	102.5	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-39.5	172.9	51.6	0	0	0	0	112.1	Y153 T154 Y161	Y153-S157 VanDerWaalsContact O-CB 3.25Å; Y153-S157 WeakPolarHBondContact O-CB 3.44Å; Y153-S157 PolarHBondContact O-N 2.97Å; Y153-S157 PolarHBondContact O-OG 3.28Å; T154-S157 WeakPolarHBondContact CA-OG 3.35Å; T154-S157 PolarHBondContact O-OG 2.94Å; T154-S157 VanDerWaalsContact O-OG 3.12Å; S157-Y161 WeakPolarHBondContact O-CB 3.13Å; S157-Y161 PolarHBondContact O-N 2.88Å
158	R	57.1	Low	55.2	Low	203 Å²	203	102.8 Å²	102.8	77%	0.766	53%	0.529	S	S	*	.	H	α-helix	trans	-65.9	-40.1	173.4	-77	178.9	70.9	-178.6	2	112.8	T154 S155 T156 Y161 Q162	T154-R158 WeakPolarHBondContact O-CG 3.31Å; T154-R158 PolarHBondContact O-N 3.47Å; S155-R158 PolarHBondContact O-N 2.97Å; T156-R158 VanDerWaalsContact C-N 3.34Å; T156-R158 PolarHBondContact O-N 2.88Å; R158-Y161 PolarHBondContact O-N 3.13Å; R158-Q162 PolarHBondContact O-N 3.38Å
159	L	53.3	Low	55.2	Low	114 Å²	114	101.5 Å²	101.5	60%	0.597	53%	0.526	S	S	*	.	H	α-helix	trans	-70.2	-38.6	177.7	-77.4	173.8	0	0	0	112.7	S155 T156 Y161 Q162 H163	S155-L159 PolarHBondContact O-N 3.08Å; T156-L159 PolarHBondContact O-N 3.45Å; L159-Y161 VanDerWaalsContact C-N 3.33Å; L159-Q162 PolarHBondContact O-N 2.87Å; L159-H163 WeakPolarHBondContact O-CB 3.44Å; L159-H163 PolarHBondContact O-N 3.4Å
160	L	52.6	Low	55.1	Low	107 Å²	107	104 Å²	104	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-65.9	-37.1	173.4	-81.6	168.7	0	0	0	111.7	T156 Q162 H163 N164	T156-L160 WeakPolarHBondContact O-CB 3.33Å; T156-L160 PolarHBondContact O-N 3.48Å; L160-Q162 VanDerWaalsContact C-N 3.33Å; L160-Q162 PolarHBondContact O-N 2.99Å; L160-H163 PolarHBondContact O-N 2.92Å; L160-N164 WeakPolarHBondContact O-CB 3.44Å; L160-N164 PolarHBondContact O-N 3.32Å
161	Y	55.1	Low	54.8	Low	183 Å²	183	102.7 Å²	102.7	72%	0.718	54%	0.54	S	S	*	.	H	α-helix	trans	-63.5	-41.3	174.1	-137.4	-86.1	0	0	0	111.7	S157 R158 L159 N165	S157-Y161 WeakPolarHBondContact O-CB 3.13Å; S157-Y161 PolarHBondContact O-N 2.88Å; R158-Y161 PolarHBondContact O-N 3.13Å; L159-Y161 VanDerWaalsContact C-N 3.33Å; Y161-N165 PolarHBondContact O-N 3.4Å
162	Q	57.1	Low	54.7	Low	129 Å²	129	104 Å²	104	60%	0.603	55%	0.546	S	S	*	.	H	α-helix	trans	-70.9	-38.1	178.2	-164.4	174.1	-4.9	0	0	111.9	R158 L159 L160 N165 V166	R158-Q162 PolarHBondContact O-N 3.38Å; L159-Q162 PolarHBondContact O-N 2.87Å; L160-Q162 VanDerWaalsContact C-N 3.33Å; L160-Q162 PolarHBondContact O-N 2.99Å; Q162-N165 PolarHBondContact O-N 3.28Å; Q162-V166 WeakPolarHBondContact O-CG2 3.47Å; Q162-V166 PolarHBondContact O-N 3.03Å; Q162-V166 VanDerWaalsContact O-N 3.16Å
163	H	55.9	Low	54.3	Low	106 Å²	106	111 Å²	111	49%	0.491	58%	0.578	S	S	.	*	H	α-helix	trans	-67.9	-42.8	178.4	-171.6	30.1	0	0	0	112.3	L159 L160 N165 V166 I167	L159-H163 WeakPolarHBondContact O-CB 3.44Å; L159-H163 PolarHBondContact O-N 3.4Å; L160-H163 PolarHBondContact O-N 2.92Å; H163-N165 VanDerWaalsContact C-N 3.3Å; H163-N165 PolarHBondContact O-N 3.44Å; H163-V166 PolarHBondContact O-N 3.39Å; H163-I167 WeakPolarHBondContact CE1-CD1 3.49Å; H163-I167 WeakPolarHBondContact NE2-CD1 3.29Å; H163-I167 WeakPolarHBondContact O-CG1 3.24Å; H163-I167 PolarHBondContact O-N 3.5Å
164	N	54.4	Low	54.4	Low	99 Å²	99	107.7 Å²	107.7	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-37.3	176.8	-82.6	0.3	0	0	0	111.9	L160 V166 I167 T168	L160-N164 WeakPolarHBondContact O-CB 3.44Å; L160-N164 PolarHBondContact O-N 3.32Å; N164-V166 VanDerWaalsContact C-N 3.31Å; N164-V166 PolarHBondContact O-N 3.39Å; N164-I167 PolarHBondContact O-N 2.67Å; N164-T168 WeakPolarHBondContact O-CG2 3.33Å; N164-T168 PolarHBondContact O-N 3.36Å; N164-T168 PolarHBondContact O-OG1 3.1Å
165	N	55	Low	54.3	Low	105 Å²	105	109.6 Å²	109.6	56%	0.561	58%	0.579	S	S	*	*	H	α-helix	trans	-67.1	-33.5	176.7	-127	28.1	0	0	0	112.4	Y161 Q162 H163 T168 T169	Y161-N165 PolarHBondContact O-N 3.4Å; Q162-N165 PolarHBondContact O-N 3.28Å; H163-N165 VanDerWaalsContact C-N 3.3Å; H163-N165 PolarHBondContact O-N 3.44Å; N165-T168 PolarHBondContact O-OG1 3.2Å; N165-T168 VanDerWaalsContact O-OG1 3.13Å; N165-T169 VanDerWaalsContact O-CG2 3.28Å; N165-T169 WeakPolarHBondContact O-CG2 3.28Å; N165-T169 PolarHBondContact O-N 2.91Å; N165-T169 VanDerWaalsContact O-N 3.15Å; N165-T169 PolarHBondContact O-OG1 2.96Å; N165-T169 VanDerWaalsContact O-OG1 3.13Å
166	V	56.1	Low	54.3	Low	86 Å²	86	112.3 Å²	112.3	52%	0.521	59%	0.588	S	S	.	*	H	α-helix	trans	-71.8	-42.8	176.1	174.8	0	0	0	0	110.9	Q162 H163 N164 T168 T169 S170	Q162-V166 WeakPolarHBondContact O-CG2 3.47Å; Q162-V166 PolarHBondContact O-N 3.03Å; Q162-V166 VanDerWaalsContact O-N 3.16Å; H163-V166 PolarHBondContact O-N 3.39Å; N164-V166 VanDerWaalsContact C-N 3.31Å; N164-V166 PolarHBondContact O-N 3.39Å; V166-T168 PolarHBondContact O-N 3.29Å; V166-T169 WeakPolarHBondContact CA-OG1 3.44Å; V166-T169 PolarHBondContact O-N 2.67Å; V166-T169 PolarHBondContact O-OG1 3.09Å; V166-S170 PolarHBondContact O-N 3.22Å; V166-S170 PolarHBondContact O-OG 3Å
167	I	58.7	Low	54.2	Low	79 Å²	79	115.1 Å²	115.1	41%	0.405	60%	0.599	S	S	.	*	H	α-helix	trans	-63.7	-43.7	178.5	-66	167.7	0	0	0	110.7	H163 N164 T169 S170 S171	H163-I167 WeakPolarHBondContact CE1-CD1 3.49Å; H163-I167 WeakPolarHBondContact NE2-CD1 3.29Å; H163-I167 WeakPolarHBondContact O-CG1 3.24Å; H163-I167 PolarHBondContact O-N 3.5Å; N164-I167 PolarHBondContact O-N 2.67Å; I167-T169 VanDerWaalsContact C-N 3.33Å; I167-T169 PolarHBondContact O-N 3.37Å; I167-S170 WeakPolarHBondContact CA-OG 3.49Å; I167-S170 PolarHBondContact O-N 2.88Å; I167-S170 VanDerWaalsContact O-N 3.12Å; I167-S170 PolarHBondContact O-OG 3.02Å; I167-S171 PolarHBondContact O-N 3.08Å
168	T	54.6	Low	54.2	Low	67 Å²	67	118.4 Å²	118.4	41%	0.411	61%	0.609	S	S	.	*	H	α-helix	trans	-66.4	-33.9	178.5	54	0	0	0	0	112.7	N164 N165 V166 S170 S171 I172	N164-T168 WeakPolarHBondContact O-CG2 3.33Å; N164-T168 PolarHBondContact O-N 3.36Å; N164-T168 PolarHBondContact O-OG1 3.1Å; N165-T168 PolarHBondContact O-OG1 3.2Å; N165-T168 VanDerWaalsContact O-OG1 3.13Å; V166-T168 PolarHBondContact O-N 3.29Å; T168-S170 VanDerWaalsContact C-N 3.33Å; T168-S171 PolarHBondContact O-OG 3.11Å; T168-I172 WeakPolarHBondContact O-CD1 3.46Å; T168-I172 WeakPolarHBondContact O-CG1 3.35Å
169	T	55.5	Low	54	Low	89 Å²	89	112.7 Å²	112.7	55%	0.546	60%	0.599	S	S	.	*	H	α-helix	trans	-69.8	-29.9	172.6	55.7	0	0	0	0	113	N165 V166 I167	N165-T169 VanDerWaalsContact O-CG2 3.28Å; N165-T169 WeakPolarHBondContact O-CG2 3.28Å; N165-T169 PolarHBondContact O-N 2.91Å; N165-T169 VanDerWaalsContact O-N 3.15Å; N165-T169 PolarHBondContact O-OG1 2.96Å; N165-T169 VanDerWaalsContact O-OG1 3.13Å; V166-T169 WeakPolarHBondContact CA-OG1 3.44Å; V166-T169 PolarHBondContact O-N 2.67Å; V166-T169 PolarHBondContact O-OG1 3.09Å; I167-T169 VanDerWaalsContact C-N 3.33Å; I167-T169 PolarHBondContact O-N 3.37Å
170	S	54.5	Low	54.1	Low	78 Å²	78	112.6 Å²	112.6	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-78.6	-18.3	179.5	68.2	0	0	0	0	114.1	V166 I167 T168	V166-S170 PolarHBondContact O-N 3.22Å; V166-S170 PolarHBondContact O-OG 3Å; I167-S170 WeakPolarHBondContact CA-OG 3.49Å; I167-S170 PolarHBondContact O-N 2.88Å; I167-S170 VanDerWaalsContact O-N 3.12Å; I167-S170 PolarHBondContact O-OG 3.02Å; T168-S170 VanDerWaalsContact C-N 3.33Å
171	S	51	Low	54.2	Low	88 Å²	88	113.1 Å²	113.1	62%	0.615	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	2.8	178.7	68.2	0	0	0	0	114.4	I167 T168	I167-S171 PolarHBondContact O-N 3.08Å; T168-S171 PolarHBondContact O-OG 3.11Å
172	I	51.9	Low	54.1	Low	143 Å²	143	107.3 Å²	107.3	73%	0.733	59%	0.592	S	S	*	*			trans	-108.2	1.1	178.9	-61.3	168.7	0	0	0	111.8	T168	T168-I172 WeakPolarHBondContact O-CD1 3.46Å; T168-I172 WeakPolarHBondContact O-CG1 3.35Å
173	L	45	Very low	53.9	Low	218 Å²	218	105.3 Å²	105.3	100%	1.141	59%	0.591	S	S	*	*			trans	-102.6	0	165.6	-77	166.3	0	0	0	109.8

Retrieved 173 of 173 residues in 46.9 ms (Link to these results)

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