A0A077YY33_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YY33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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	31.2	Very low	33.5	Very low	212 Å²	212	101.4 Å²	101.4	100%	1.044	52%	0.521	S	S	*	.				0	126.5	0	-102.9	-179.8	-169.4	0	0	108.4
2	F	31.6	Very low	33.3	Very low	87 Å²	87	100.9 Å²	100.9	38%	0.382	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.7	173.6	168.4	-108.2	0	0	0	106.9	V4 F18	F2-V4 HydrophobicContact CD1-CG2 3.94Å; F2-V4 HydrophobicContact CE1-CG2 3.09Å; F2-V4 HydrophobicContact CE2-CG2 4.26Å; F2-V4 HydrophobicContact CZ-CG2 3.28Å; F2-F18 HydrophobicContact CD1-CD2 4.01Å; F2-F18 HydrophobicContact CD1-CE2 4.46Å; F2-F18 HydrophobicContact CE1-CD2 4.43Å; F2-F18 HydrophobicContact CE1-CE2 4.48Å; F2-F18 WeakPolarHBondContact O-CB 3.21Å; F2-F18 PolarHBondContact O-N 3.48Å
3	G	32.8	Very low	33	Very low	32 Å²	32	101.6 Å²	101.6	33%	0.33	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.8	174.3	0	0	0	0	0	108.1	I16	G3-I16 WeakPolarHBondContact CA-O 3.23Å
4	V	37.2	Very low	33.1	Very low	23 Å²	23	103.8 Å²	103.8	14%	0.139	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.3	176.1	-177.2	0	0	0	0	108.4	F2 V6 I16 P51	F2-V4 HydrophobicContact CD1-CG2 3.94Å; F2-V4 HydrophobicContact CE1-CG2 3.09Å; F2-V4 HydrophobicContact CE2-CG2 4.26Å; F2-V4 HydrophobicContact CZ-CG2 3.28Å; V4-V6 HydrophobicContact CG1-CG2 4.01Å; V4-I16 PolarHBondContact N-O 3.28Å; V4-I16 PolarHBondContact O-N 2.71Å; V4-P51 HydrophobicContact CB-CB 4.04Å; V4-P51 HydrophobicContact CB-CG 3.76Å; V4-P51 HydrophobicContact CG1-CB 3.59Å; V4-P51 HydrophobicContact CG1-CG 3.76Å; V4-P51 HydrophobicContact CG2-CB 4.07Å; V4-P51 HydrophobicContact CG2-CG 3.25Å
5	V	35.1	Very low	33	Very low	69 Å²	69	105.4 Å²	105.4	42%	0.418	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116	171.3	-178.6	0	0	0	0	107.3	F7 L13 F15	V5-F7 HydrophobicContact CG1-CD2 4.37Å; V5-F7 HydrophobicContact CG1-CE2 3.87Å; V5-F7 HydrophobicContact CG1-CZ 4.12Å; V5-L13 HydrophobicContact CG1-CD1 4.35Å; V5-L13 HydrophobicContact CG1-CD2 3.72Å; V5-L13 HydrophobicContact CG1-CG 3.8Å; V5-F15 HydrophobicContact CG2-CD2 4.07Å; V5-F15 HydrophobicContact CG2-CE2 4.23Å
6	V	36.2	Very low	33.4	Very low	12 Å²	12	101.6 Å²	101.6	7%	0.073	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.2	175.8	178.6	0	0	0	0	108.5	V4 R14 I16 L55	V4-V6 HydrophobicContact CG1-CG2 4.01Å; V6-R14 HydrophobicContact CB-CB 4.47Å; V6-R14 PolarHBondContact N-O 2.68Å; V6-R14 PolarHBondContact O-N 3.36Å; V6-I16 HydrophobicContact CG2-CD1 4.24Å; V6-L55 HydrophobicContact CG1-CD1 3.82Å; V6-L55 HydrophobicContact CG1-CD2 3.48Å; V6-L55 VanDerWaalsContact CG1-CD2 3.48Å; V6-L55 HydrophobicContact CG1-CG 4.04Å; V6-L55 HydrophobicContact CG2-CD1 4.19Å
7	F	34.5	Very low	33.6	Very low	149 Å²	149	100.9 Å²	100.9	65%	0.654	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.6	169.3	-69.4	-84.9	0	0	0	108.9	V5 L13	V5-F7 HydrophobicContact CG1-CD2 4.37Å; V5-F7 HydrophobicContact CG1-CE2 3.87Å; V5-F7 HydrophobicContact CG1-CZ 4.12Å; F7-L13 HydrophobicContact CE1-CD1 3.9Å; F7-L13 HydrophobicContact CE1-CG 4.44Å; F7-L13 HydrophobicContact CZ-CD1 4.26Å
8	G	32.5	Very low	33.8	Very low	20 Å²	20	97.1 Å²	97.1	21%	0.206	48%	0.481	C	S	.	.			trans	-73.9	164.4	171.8	0	0	0	0	0	112.7	H10 Q11 D12	G8-H10 PolarHBondContact O-N 3.37Å; G8-Q11 PolarHBondContact O-N 2.98Å; G8-D12 PolarHBondContact N-O 2.72Å; G8-D12 VanDerWaalsContact N-O 3.12Å
9	L	31.1	Very low	34.4	Very low	178 Å²	178	96.1 Å²	96.1	93%	0.932	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-17.9	169.7	-96.9	141.1	0	0	0	113.9
10	H	33.8	Very low	35	Very low	160 Å²	160	100.1 Å²	100.1	74%	0.741	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	15.5	176.4	-62.7	-54.3	0	0	0	114.6	G8 D12	G8-H10 PolarHBondContact O-N 3.37Å; H10-D12 PolarHBondContact O-N 3.15Å; H10-D12 VanDerWaalsContact O-N 3.16Å
11	Q	32.6	Very low	35.5	Very low	173 Å²	173	100.8 Å²	100.8	81%	0.808	50%	0.497	S	S	*	.			trans	62.8	11	-173.7	-53.9	-178.3	-11	0	0	114.9	G8 L13	G8-Q11 PolarHBondContact O-N 2.98Å; Q11-L13 PolarHBondContact O-N 2.69Å
12	D	31.2	Very low	36.2	Very low	96 Å²	96	92.9 Å²	92.9	51%	0.513	46%	0.459	S	S	.	.			trans	-66.9	122.8	173	-75.2	-21.4	0	0	0	110.2	G8 H10	G8-D12 PolarHBondContact N-O 2.72Å; G8-D12 VanDerWaalsContact N-O 3.12Å; H10-D12 PolarHBondContact O-N 3.15Å; H10-D12 VanDerWaalsContact O-N 3.16Å
13	L	28.6	Very low	36.8	Very low	110 Å²	110	93.4 Å²	93.4	58%	0.576	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	107.4	-177.3	-154.8	147.5	0	0	0	108.2	V5 F7 Q11	V5-L13 HydrophobicContact CG1-CD1 4.35Å; V5-L13 HydrophobicContact CG1-CD2 3.72Å; V5-L13 HydrophobicContact CG1-CG 3.8Å; F7-L13 HydrophobicContact CE1-CD1 3.9Å; F7-L13 HydrophobicContact CE1-CG 4.44Å; F7-L13 HydrophobicContact CZ-CD1 4.26Å; Q11-L13 PolarHBondContact O-N 2.69Å
14	R	34.5	Very low	37.6	Very low	132 Å²	132	94.4 Å²	94.4	50%	0.498	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.4	176.2	-69.3	-170	-179.7	-177.3	2.2	110.6	V6 Y59	V6-R14 HydrophobicContact CB-CB 4.47Å; V6-R14 PolarHBondContact N-O 2.68Å; V6-R14 PolarHBondContact O-N 3.36Å; R14-Y59 VanDerWaalsContact CZ-OH 3.32Å; R14-Y59 PolarHBondContact NH1-OH 3.31Å
15	F	32.5	Very low	38.1	Very low	128 Å²	128	101.2 Å²	101.2	56%	0.561	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	112	177.6	-160.9	-94.5	0	0	0	109.3	V5 H17	V5-F15 HydrophobicContact CG2-CD2 4.07Å; V5-F15 HydrophobicContact CG2-CE2 4.23Å; F15-H17 HydrophobicContact CD1-CB 4.4Å; F15-H17 HydrophobicContact CE1-CB 4.35Å; F15-H17 AromaticContact CE1-CD2 3.99Å
16	I	38.8	Very low	38.4	Very low	45 Å²	45	100.1 Å²	100.1	23%	0.231	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.5	173.8	-56	177.1	0	0	0	107.8	G3 V4 V6 V54	G3-I16 WeakPolarHBondContact CA-O 3.23Å; V4-I16 PolarHBondContact N-O 3.28Å; V4-I16 PolarHBondContact O-N 2.71Å; V6-I16 HydrophobicContact CG2-CD1 4.24Å; I16-V54 HydrophobicContact CD1-CG1 4.3Å
17	H	36.8	Very low	38.8	Very low	89 Å²	89	102.4 Å²	102.4	41%	0.412	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.2	-177.5	-158.8	-47.1	0	0	0	109.9	F15	F15-H17 HydrophobicContact CD1-CB 4.4Å; F15-H17 HydrophobicContact CE1-CB 4.35Å; F15-H17 AromaticContact CE1-CD2 3.99Å
18	F	37.2	Very low	39.4	Very low	33 Å²	33	99.4 Å²	99.4	15%	0.145	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	108.2	166.7	-87.2	-95	0	0	0	109.5	F2 L22 F47 L50 P51	F2-F18 HydrophobicContact CD1-CD2 4.01Å; F2-F18 HydrophobicContact CD1-CE2 4.46Å; F2-F18 HydrophobicContact CE1-CD2 4.43Å; F2-F18 HydrophobicContact CE1-CE2 4.48Å; F2-F18 WeakPolarHBondContact O-CB 3.21Å; F2-F18 PolarHBondContact O-N 3.48Å; F18-L22 HydrophobicContact CD1-CD2 3.71Å; F18-L22 HydrophobicContact CD2-CD2 4.36Å; F18-L22 HydrophobicContact CE1-CD2 3.73Å; F18-L22 HydrophobicContact CE2-CD2 4.37Å; F18-L22 HydrophobicContact CG-CD2 4.06Å; F18-L22 HydrophobicContact CZ-CD2 4.1Å; F18-F47 HydrophobicContact CE1-CB 4.26Å; F18-F47 HydrophobicContact CE1-CD1 4.11Å; F18-F47 WeakPolarHBondContact CZ-O 3.4Å; F18-L50 HydrophobicContact CE1-CD2 3.87Å; F18-L50 HydrophobicContact CE2-CB 4.45Å; F18-L50 HydrophobicContact CE2-CD2 4.45Å; F18-L50 HydrophobicContact CZ-CB 3.64Å; F18-L50 HydrophobicContact CZ-CD2 3.5Å; F18-L50 VanDerWaalsContact CZ-CD2 3.5Å; F18-L50 HydrophobicContact CZ-CG 4.22Å; F18-P51 HydrophobicContact CE2-CG 4.24Å
19	D	44.9	Very low	39.6	Very low	77 Å²	77	101.5 Å²	101.5	41%	0.412	51%	0.505	S	S	.	.			trans	-113.7	172.3	161.9	72.3	-1	0	0	0	109.9	H21 L22	D19-H21 PolarHBondContact O-N 3.11Å; D19-H21 WeakPolarHBondContact OD1-CA 3.45Å; D19-H21 WeakPolarHBondContact OD1-CB 3.42Å; D19-H21 PolarHBondContact OD1-N 3.28Å; D19-H21 VanDerWaalsContact OD2-CB 3.28Å; D19-H21 WeakPolarHBondContact OD2-CB 3.44Å; D19-L22 PolarHBondContact O-N 2.69Å; D19-L22 VanDerWaalsContact O-N 3.1Å; D19-L22 PolarHBondContact OD1-N 3.02Å
20	E	46.9	Very low	39.6	Very low	176 Å²	176	98.3 Å²	98.3	82%	0.822	50%	0.504	S	S	*	.	H	α-helix	trans	-54.6	-21.9	173.2	-70.8	179.9	159.6	0	0	112.4	S24	E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 2.84Å
21	H	46.2	Very low	39.8	Very low	116 Å²	116	97.5 Å²	97.5	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-72	-35.7	179.6	-130.9	-8.2	0	0	0	112	D19 S24 R25	D19-H21 PolarHBondContact O-N 3.11Å; D19-H21 WeakPolarHBondContact OD1-CA 3.45Å; D19-H21 WeakPolarHBondContact OD1-CB 3.42Å; D19-H21 PolarHBondContact OD1-N 3.28Å; D19-H21 VanDerWaalsContact OD2-CB 3.28Å; D19-H21 WeakPolarHBondContact OD2-CB 3.44Å; H21-S24 WeakPolarHBondContact CA-OG 3.48Å; H21-S24 PolarHBondContact O-N 3.4Å; H21-S24 PolarHBondContact O-OG 2.9Å; H21-R25 WeakPolarHBondContact O-CB 3.31Å; H21-R25 WeakPolarHBondContact O-CG 3.49Å; H21-R25 PolarHBondContact O-N 3.08Å
22	L	44.9	Very low	39.8	Very low	46 Å²	46	89.7 Å²	89.7	24%	0.241	47%	0.465	C	S	.	.	H	α-helix	trans	-70.9	-40	176.3	-164	76.6	0	0	0	112.4	F18 D19 S24 R25 L26 L50	F18-L22 HydrophobicContact CD1-CD2 3.71Å; F18-L22 HydrophobicContact CD2-CD2 4.36Å; F18-L22 HydrophobicContact CE1-CD2 3.73Å; F18-L22 HydrophobicContact CE2-CD2 4.37Å; F18-L22 HydrophobicContact CG-CD2 4.06Å; F18-L22 HydrophobicContact CZ-CD2 4.1Å; D19-L22 PolarHBondContact O-N 2.69Å; D19-L22 VanDerWaalsContact O-N 3.1Å; D19-L22 PolarHBondContact OD1-N 3.02Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-R25 PolarHBondContact O-N 2.99Å; L22-L26 HydrophobicContact CG-CD1 4.23Å; L22-L26 PolarHBondContact O-N 2.78Å; L22-L50 HydrophobicContact CD2-CD2 4.12Å
23	E	44.3	Very low	40.2	Very low	97 Å²	97	92.3 Å²	92.3	45%	0.453	48%	0.479	S	S	.	.	H	α-helix	trans	-61.1	-45.5	172.4	-171.2	173.8	-175.4	0	0	110.2	R25 L26 T27	E23-R25 VanDerWaalsContact C-N 3.3Å; E23-R25 PolarHBondContact O-N 3.02Å; E23-L26 PolarHBondContact O-N 2.57Å; E23-T27 PolarHBondContact O-N 3.48Å; E23-T27 PolarHBondContact O-OG1 3.3Å
24	S	50.3	Low	40.9	Very low	54 Å²	54	92.4 Å²	92.4	38%	0.378	48%	0.48	S	S	.	.	H	α-helix	trans	-60.2	-36.6	175.9	79.3	0	0	0	0	113.1	E20 H21 L22 T27 A28	E20-S24 WeakPolarHBondContact O-CB 3.47Å; E20-S24 PolarHBondContact O-N 2.84Å; H21-S24 WeakPolarHBondContact CA-OG 3.48Å; H21-S24 PolarHBondContact O-N 3.4Å; H21-S24 PolarHBondContact O-OG 2.9Å; L22-S24 VanDerWaalsContact C-N 3.34Å; S24-T27 VanDerWaalsContact C-OG1 3.29Å; S24-T27 VanDerWaalsContact CA-OG1 3.31Å; S24-T27 WeakPolarHBondContact CA-OG1 3.36Å; S24-T27 PolarHBondContact O-OG1 3.31Å; S24-A28 WeakPolarHBondContact O-CB 3.44Å; S24-A28 PolarHBondContact O-N 3.43Å
25	R	46.9	Very low	41.1	Very low	166 Å²	166	87.3 Å²	87.3	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-72.1	-37.4	178.3	-79.6	-178.5	-179.8	-164.8	1.8	112.3	H21 L22 E23 A28 T29	H21-R25 WeakPolarHBondContact O-CB 3.31Å; H21-R25 WeakPolarHBondContact O-CG 3.49Å; H21-R25 PolarHBondContact O-N 3.08Å; L22-R25 PolarHBondContact O-N 2.99Å; E23-R25 VanDerWaalsContact C-N 3.3Å; E23-R25 PolarHBondContact O-N 3.02Å; R25-A28 PolarHBondContact O-N 3.42Å; R25-T29 WeakPolarHBondContact O-CG2 3.47Å; R25-T29 PolarHBondContact O-N 3.35Å
26	L	40.7	Very low	41.6	Very low	45 Å²	45	83.6 Å²	83.6	24%	0.236	46%	0.456	C	S	.	.	H	α-helix	trans	-71.1	-37.9	177.7	-77.8	155	0	0	0	111.8	L22 E23 A28 T29 F47 L50	L22-L26 HydrophobicContact CG-CD1 4.23Å; L22-L26 PolarHBondContact O-N 2.78Å; E23-L26 PolarHBondContact O-N 2.57Å; L26-A28 PolarHBondContact O-N 3.12Å; L26-T29 PolarHBondContact O-N 2.91Å; L26-T29 PolarHBondContact O-OG1 2.91Å; L26-F47 HydrophobicContact CB-CE1 4.3Å; L26-F47 HydrophobicContact CD1-CD1 4.27Å; L26-F47 HydrophobicContact CD1-CE1 3.57Å; L26-F47 HydrophobicContact CG-CE1 4.47Å; L26-L50 HydrophobicContact CD1-CD1 4.18Å; L26-L50 HydrophobicContact CD1-CD2 3.54Å
27	T	45.9	Very low	41.9	Very low	61 Å²	61	85.5 Å²	85.5	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-20	169.1	43	0	0	0	0	114	E23 S24 G32	E23-T27 PolarHBondContact O-N 3.48Å; E23-T27 PolarHBondContact O-OG1 3.3Å; S24-T27 VanDerWaalsContact C-OG1 3.29Å; S24-T27 VanDerWaalsContact CA-OG1 3.31Å; S24-T27 WeakPolarHBondContact CA-OG1 3.36Å; S24-T27 PolarHBondContact O-OG1 3.31Å; T27-G32 WeakPolarHBondContact O-CA 3.29Å
28	A	45.8	Very low	42.2	Very low	85 Å²	85	83.9 Å²	83.9	70%	0.702	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.9	177.9	0	0	0	0	0	114.1	S24 R25 L26	S24-A28 WeakPolarHBondContact O-CB 3.44Å; S24-A28 PolarHBondContact O-N 3.43Å; R25-A28 PolarHBondContact O-N 3.42Å; L26-A28 PolarHBondContact O-N 3.12Å
29	T	37.6	Very low	42.8	Very low	65 Å²	65	85 Å²	85	40%	0.399	48%	0.477	S	S	.	.	S	Bend	trans	-83.7	167.2	175.4	64.3	0	0	0	0	112.1	R25 L26 F31 G32	R25-T29 WeakPolarHBondContact O-CG2 3.47Å; R25-T29 PolarHBondContact O-N 3.35Å; L26-T29 PolarHBondContact O-N 2.91Å; L26-T29 PolarHBondContact O-OG1 2.91Å; T29-F31 PolarHBondContact O-N 2.71Å; T29-G32 WeakPolarHBondContact O-CA 3.23Å; T29-G32 PolarHBondContact O-N 3.47Å
30	A	31.2	Very low	43	Very low	111 Å²	111	85 Å²	85	92%	0.917	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-10.3	178.3	0	0	0	0	0	114.9
31	F	38.3	Very low	43	Very low	142 Å²	142	83.3 Å²	83.3	62%	0.623	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	2.3	173.2	-59.4	-79.8	0	0	0	113.3	T29 D33 D34 V35	T29-F31 PolarHBondContact O-N 2.71Å; F31-D33 VanDerWaalsContact C-N 3.32Å; F31-D33 PolarHBondContact O-N 2.97Å; F31-D34 PolarHBondContact O-N 3.41Å; F31-D34 VanDerWaalsContact O-N 3.15Å; F31-V35 HydrophobicContact CB-CG2 4.06Å; F31-V35 WeakPolarHBondContact O-CB 3.29Å; F31-V35 VanDerWaalsContact O-CG2 3.3Å; F31-V35 WeakPolarHBondContact O-CG2 3.3Å; F31-V35 PolarHBondContact O-N 3.27Å
32	G	32	Very low	42.8	Very low	10 Å²	10	78.9 Å²	78.9	10%	0.103	45%	0.452	C	S	.	.	H	α-helix	trans	-56.4	-39	-170.2	0	0	0	0	0	114.4	T27 T29 A36	T27-G32 WeakPolarHBondContact O-CA 3.29Å; T29-G32 WeakPolarHBondContact O-CA 3.23Å; T29-G32 PolarHBondContact O-N 3.47Å; G32-A36 WeakPolarHBondContact O-CB 3.47Å; G32-A36 PolarHBondContact O-N 3.42Å
33	D	40.2	Very low	43.1	Very low	151 Å²	151	79.7 Å²	79.7	81%	0.807	45%	0.452	S	S	*	.	H	α-helix	trans	-73.4	-37.9	178.8	-71.4	-27	0	0	0	112.5	F31 S37	F31-D33 VanDerWaalsContact C-N 3.32Å; F31-D33 PolarHBondContact O-N 2.97Å; D33-S37 PolarHBondContact O-N 2.82Å
34	D	42.4	Very low	43.4	Very low	111 Å²	111	81.2 Å²	81.2	59%	0.594	46%	0.459	S	S	*	.	H	α-helix	trans	-71.6	-39.2	177.2	-90.7	-24	0	0	0	111.5	F31 S37 F38	F31-D34 PolarHBondContact O-N 3.41Å; F31-D34 VanDerWaalsContact O-N 3.15Å; D34-S37 WeakPolarHBondContact O-CB 3.5Å; D34-S37 PolarHBondContact O-N 3.23Å; D34-S37 PolarHBondContact O-OG 3.08Å; D34-F38 WeakPolarHBondContact O-CD2 3.29Å; D34-F38 WeakPolarHBondContact O-CE2 3.21Å
35	V	39.4	Very low	43.2	Very low	26 Å²	26	78.9 Å²	78.9	16%	0.158	44%	0.443	C	S	.	.	H	α-helix	trans	-73	-36.1	178.8	177.5	0	0	0	0	111.5	F31 S37 F38 R43 F47	F31-V35 HydrophobicContact CB-CG2 4.06Å; F31-V35 WeakPolarHBondContact O-CB 3.29Å; F31-V35 VanDerWaalsContact O-CG2 3.3Å; F31-V35 WeakPolarHBondContact O-CG2 3.3Å; F31-V35 PolarHBondContact O-N 3.27Å; V35-S37 VanDerWaalsContact C-N 3.28Å; V35-S37 PolarHBondContact O-N 3.45Å; V35-F38 PolarHBondContact O-N 3.33Å; V35-R43 HydrophobicContact CG1-CG 4.33Å; V35-R43 VanDerWaalsContact O-CD 3.23Å; V35-R43 WeakPolarHBondContact O-CD 3.49Å; V35-R43 PolarHBondContact O-NE 2.88Å; V35-F47 HydrophobicContact CG1-CZ 4.3Å
36	A	42.8	Very low	43.2	Very low	49 Å²	49	72.8 Å²	72.8	41%	0.405	42%	0.422	S	S	.	.	H	α-helix	trans	-67.2	-27.9	173.4	0	0	0	0	0	112.8	G32 F38 R43	G32-A36 WeakPolarHBondContact O-CB 3.47Å; G32-A36 PolarHBondContact O-N 3.42Å; A36-F38 PolarHBondContact O-N 2.9Å; A36-R43 PolarHBondContact O-NH2 2.92Å
37	S	45.9	Very low	43.5	Very low	85 Å²	85	72.1 Å²	72.1	59%	0.594	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.5	178.1	85.2	0	0	0	0	113.8	D33 D34 V35	D33-S37 PolarHBondContact O-N 2.82Å; D34-S37 WeakPolarHBondContact O-CB 3.5Å; D34-S37 PolarHBondContact O-N 3.23Å; D34-S37 PolarHBondContact O-OG 3.08Å; V35-S37 VanDerWaalsContact C-N 3.28Å; V35-S37 PolarHBondContact O-N 3.45Å
38	F	42.1	Very low	43.5	Very low	56 Å²	56	71 Å²	71	25%	0.246	41%	0.411	C	S	.	.	S	Bend	trans	-75	143.6	178.6	-65.9	-46.1	0	0	0	112	D34 V35 A36 Y42 R43	D34-F38 WeakPolarHBondContact O-CD2 3.29Å; D34-F38 WeakPolarHBondContact O-CE2 3.21Å; V35-F38 PolarHBondContact O-N 3.33Å; A36-F38 PolarHBondContact O-N 2.9Å; F38-Y42 HydrophobicContact CB-CD1 3.55Å; F38-Y42 HydrophobicContact CB-CE1 4.35Å; F38-Y42 HydrophobicContact CB-CG 4.14Å; F38-Y42 AromaticContact CD1-CD1 3.41Å; F38-Y42 HydrophobicContact CD1-CD1 3.41Å; F38-Y42 VanDerWaalsContact CD1-CD1 3.41Å; F38-Y42 AromaticContact CD1-CE1 3.44Å; F38-Y42 HydrophobicContact CD1-CE1 3.44Å; F38-Y42 VanDerWaalsContact CD1-CE1 3.44Å; F38-Y42 HydrophobicContact CD1-CG 4.07Å; F38-Y42 AromaticContact CD2-CD1 3.75Å; F38-Y42 HydrophobicContact CD2-CD1 3.75Å; F38-Y42 AromaticContact CD2-CE1 3.76Å; F38-Y42 HydrophobicContact CD2-CE1 3.76Å; F38-Y42 HydrophobicContact CE1-CD1 4.02Å; F38-Y42 AromaticContact CE1-CE1 3.53Å; F38-Y42 HydrophobicContact CE1-CE1 3.53Å; F38-Y42 HydrophobicContact CE2-CD1 4.32Å; F38-Y42 AromaticContact CE2-CE1 3.85Å; F38-Y42 HydrophobicContact CE2-CE1 3.85Å; F38-Y42 AromaticContact CG-CD1 3.27Å; F38-Y42 HydrophobicContact CG-CD1 3.27Å; F38-Y42 AromaticContact CG-CE1 3.58Å; F38-Y42 HydrophobicContact CG-CE1 3.58Å; F38-Y42 HydrophobicContact CG-CG 4.16Å; F38-Y42 HydrophobicContact CZ-CD1 4.45Å; F38-Y42 AromaticContact CZ-CE1 3.75Å; F38-Y42 HydrophobicContact CZ-CE1 3.75Å; F38-R43 HydrophobicContact CB-CG 3.91Å; F38-R43 PolarHBondContact O-NE 3.33Å; F38-R43 PolarHBondContact O-NH2 3.49Å
39	S	49.5	Very low	43.6	Very low	55 Å²	55	67 Å²	67	39%	0.385	38%	0.378	S	S	.	.			trans	-56.4	147.6	172.1	78.7	0	0	0	0	109.7	K41 Y42 R43 D100	S39-K41 PolarHBondContact O-N 3.48Å; S39-Y42 WeakPolarHBondContact O-CA 3.09Å; S39-Y42 PolarHBondContact O-N 3.12Å; S39-Y42 WeakPolarHBondContact OG-CB 3.44Å; S39-Y42 PolarHBondContact OG-N 3.36Å; S39-R43 PolarHBondContact O-N 2.86Å; S39-D100 PolarHBondContact OG-OD2 3.49Å
40	S	50.3	Low	43.9	Very low	79 Å²	79	65.1 Å²	65.1	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-53.8	-30.5	177.1	59.6	0	0	0	0	112.4	Q44	S40-Q44 WeakPolarHBondContact O-CB 3.26Å; S40-Q44 VanDerWaalsContact O-CG 3.23Å; S40-Q44 WeakPolarHBondContact O-CG 3.33Å; S40-Q44 PolarHBondContact O-N 2.75Å
41	K	45.6	Very low	44.4	Very low	139 Å²	139	60.2 Å²	60.2	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-71.5	-39.5	174.5	-68	-176.8	178.1	179.5	0	113.3	S39 A45	S39-K41 PolarHBondContact O-N 3.48Å; K41-A45 WeakPolarHBondContact O-CB 3.19Å; K41-A45 PolarHBondContact O-N 3.37Å
42	Y	43.5	Very low	44.7	Very low	24 Å²	24	54.9 Å²	54.9	9%	0.094	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-41.9	175.6	-172.9	-77.4	0	0	0	110.6	F38 S39 A45 E46 D100	F38-Y42 HydrophobicContact CB-CD1 3.55Å; F38-Y42 HydrophobicContact CB-CE1 4.35Å; F38-Y42 HydrophobicContact CB-CG 4.14Å; F38-Y42 AromaticContact CD1-CD1 3.41Å; F38-Y42 HydrophobicContact CD1-CD1 3.41Å; F38-Y42 VanDerWaalsContact CD1-CD1 3.41Å; F38-Y42 AromaticContact CD1-CE1 3.44Å; F38-Y42 HydrophobicContact CD1-CE1 3.44Å; F38-Y42 VanDerWaalsContact CD1-CE1 3.44Å; F38-Y42 HydrophobicContact CD1-CG 4.07Å; F38-Y42 AromaticContact CD2-CD1 3.75Å; F38-Y42 HydrophobicContact CD2-CD1 3.75Å; F38-Y42 AromaticContact CD2-CE1 3.76Å; F38-Y42 HydrophobicContact CD2-CE1 3.76Å; F38-Y42 HydrophobicContact CE1-CD1 4.02Å; F38-Y42 AromaticContact CE1-CE1 3.53Å; F38-Y42 HydrophobicContact CE1-CE1 3.53Å; F38-Y42 HydrophobicContact CE2-CD1 4.32Å; F38-Y42 AromaticContact CE2-CE1 3.85Å; F38-Y42 HydrophobicContact CE2-CE1 3.85Å; F38-Y42 AromaticContact CG-CD1 3.27Å; F38-Y42 HydrophobicContact CG-CD1 3.27Å; F38-Y42 AromaticContact CG-CE1 3.58Å; F38-Y42 HydrophobicContact CG-CE1 3.58Å; F38-Y42 HydrophobicContact CG-CG 4.16Å; F38-Y42 HydrophobicContact CZ-CD1 4.45Å; F38-Y42 AromaticContact CZ-CE1 3.75Å; F38-Y42 HydrophobicContact CZ-CE1 3.75Å; S39-Y42 WeakPolarHBondContact O-CA 3.09Å; S39-Y42 PolarHBondContact O-N 3.12Å; S39-Y42 WeakPolarHBondContact OG-CB 3.44Å; S39-Y42 PolarHBondContact OG-N 3.36Å; Y42-A45 PolarHBondContact O-N 3.45Å; Y42-E46 HydrophobicContact CD1-CG 4.33Å; Y42-E46 HydrophobicContact CE1-CG 3.87Å; Y42-E46 WeakPolarHBondContact CE1-OE1 3.07Å; Y42-E46 PolarHBondContact O-N 2.93Å; Y42-E46 PolarHBondContact OH-OE1 2.94Å; Y42-D100 HydrophobicContact CD2-CB 3.43Å; Y42-D100 VanDerWaalsContact CD2-CB 3.43Å; Y42-D100 HydrophobicContact CE2-CB 4.31Å; Y42-D100 HydrophobicContact CG-CB 4.11Å
43	R	49.7	Very low	45.3	Very low	63 Å²	63	57.8 Å²	57.8	24%	0.238	32%	0.315	C	S	.	.	H	α-helix	trans	-58.3	-52.3	170.5	-83.1	-174.6	-100	177.1	-11	111.8	V35 A36 F38 S39 A45 E46 F47	V35-R43 HydrophobicContact CG1-CG 4.33Å; V35-R43 VanDerWaalsContact O-CD 3.23Å; V35-R43 WeakPolarHBondContact O-CD 3.49Å; V35-R43 PolarHBondContact O-NE 2.88Å; A36-R43 PolarHBondContact O-NH2 2.92Å; F38-R43 HydrophobicContact CB-CG 3.91Å; F38-R43 PolarHBondContact O-NE 3.33Å; F38-R43 PolarHBondContact O-NH2 3.49Å; S39-R43 PolarHBondContact O-N 2.86Å; R43-A45 PolarHBondContact O-N 2.78Å; R43-E46 PolarHBondContact O-N 3.45Å; R43-F47 VanDerWaalsContact C-CD2 3.45Å; R43-F47 HydrophobicContact CB-CD2 3.94Å; R43-F47 HydrophobicContact CB-CE2 3.78Å; R43-F47 HydrophobicContact CG-CE2 4.07Å; R43-F47 VanDerWaalsContact O-CB 3.31Å; R43-F47 WeakPolarHBondContact O-CB 3.23Å; R43-F47 WeakPolarHBondContact O-CD2 3.12Å; R43-F47 WeakPolarHBondContact O-CG 3.42Å; R43-F47 PolarHBondContact O-N 3.29Å
44	Q	50.5	Low	45.4	Very low	128 Å²	128	53.3 Å²	53.3	60%	0.598	29%	0.293	S	S	*	.	H	α-helix	trans	-55.7	-39.5	176.3	-80.6	174.4	-8.9	0	0	112.3	S40 S48	S40-Q44 WeakPolarHBondContact O-CB 3.26Å; S40-Q44 VanDerWaalsContact O-CG 3.23Å; S40-Q44 WeakPolarHBondContact O-CG 3.33Å; S40-Q44 PolarHBondContact O-N 2.75Å; Q44-S48 WeakPolarHBondContact O-CB 3.26Å; Q44-S48 PolarHBondContact O-N 3.36Å; Q44-S48 PolarHBondContact O-OG 3.42Å
45	A	47	Very low	45.4	Very low	6 Å²	6	50.2 Å²	50.2	5%	0.05	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-49.5	176.6	0	0	0	0	0	112.4	K41 Y42 R43 F47 S48 F49 T101	K41-A45 WeakPolarHBondContact O-CB 3.19Å; K41-A45 PolarHBondContact O-N 3.37Å; Y42-A45 PolarHBondContact O-N 3.45Å; R43-A45 PolarHBondContact O-N 2.78Å; A45-F47 VanDerWaalsContact C-N 3.35Å; A45-F47 PolarHBondContact O-N 3.19Å; A45-S48 VanDerWaalsContact O-CB 3.28Å; A45-S48 WeakPolarHBondContact O-CB 3.29Å; A45-S48 PolarHBondContact O-N 3.49Å; A45-F49 WeakPolarHBondContact O-CD2 3.34Å; A45-F49 WeakPolarHBondContact O-CE2 3.09Å; A45-T101 HydrophobicContact CB-CG2 4.48Å
46	E	46	Very low	45.5	Very low	38 Å²	38	50.8 Å²	50.8	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-39.9	175.6	-83	-172.8	167.3	0	0	112.1	Y42 R43 S48 F49 L50 A104	Y42-E46 HydrophobicContact CD1-CG 4.33Å; Y42-E46 HydrophobicContact CE1-CG 3.87Å; Y42-E46 WeakPolarHBondContact CE1-OE1 3.07Å; Y42-E46 PolarHBondContact O-N 2.93Å; Y42-E46 PolarHBondContact OH-OE1 2.94Å; R43-E46 PolarHBondContact O-N 3.45Å; E46-S48 VanDerWaalsContact C-N 3.29Å; E46-S48 PolarHBondContact O-N 2.97Å; E46-F49 CarbonylContact O-C 3.4Å; E46-F49 PolarHBondContact O-N 3.49Å; E46-L50 PolarHBondContact O-N 2.9Å; E46-A104 HydrophobicContact CG-CB 4.09Å
47	F	48.7	Very low	45.3	Very low	31 Å²	31	56.3 Å²	56.3	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-29.3	176	-72.3	-56.5	0	0	0	112.9	F18 L26 V35 R43 A45 F49 L50	F18-F47 HydrophobicContact CE1-CB 4.26Å; F18-F47 HydrophobicContact CE1-CD1 4.11Å; F18-F47 WeakPolarHBondContact CZ-O 3.4Å; L26-F47 HydrophobicContact CB-CE1 4.3Å; L26-F47 HydrophobicContact CD1-CD1 4.27Å; L26-F47 HydrophobicContact CD1-CE1 3.57Å; L26-F47 HydrophobicContact CG-CE1 4.47Å; V35-F47 HydrophobicContact CG1-CZ 4.3Å; R43-F47 VanDerWaalsContact C-CD2 3.45Å; R43-F47 HydrophobicContact CB-CD2 3.94Å; R43-F47 HydrophobicContact CB-CE2 3.78Å; R43-F47 HydrophobicContact CG-CE2 4.07Å; R43-F47 VanDerWaalsContact O-CB 3.31Å; R43-F47 WeakPolarHBondContact O-CB 3.23Å; R43-F47 WeakPolarHBondContact O-CD2 3.12Å; R43-F47 WeakPolarHBondContact O-CG 3.42Å; R43-F47 PolarHBondContact O-N 3.29Å; A45-F47 VanDerWaalsContact C-N 3.35Å; A45-F47 PolarHBondContact O-N 3.19Å; F47-F49 PolarHBondContact O-N 2.79Å; F47-L50 HydrophobicContact CD1-CD1 3.93Å; F47-L50 HydrophobicContact CD1-CD2 4.26Å; F47-L50 HydrophobicContact CD1-CG 4.5Å; F47-L50 HydrophobicContact CE1-CD1 4.21Å; F47-L50 PolarHBondContact O-N 3.35Å
48	S	45	Very low	44.7	Very low	37 Å²	37	56.2 Å²	56.2	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-21.2	171.8	-56.3	0	0	0	0	112.6	Q44 A45 E46	Q44-S48 WeakPolarHBondContact O-CB 3.26Å; Q44-S48 PolarHBondContact O-N 3.36Å; Q44-S48 PolarHBondContact O-OG 3.42Å; A45-S48 VanDerWaalsContact O-CB 3.28Å; A45-S48 WeakPolarHBondContact O-CB 3.29Å; A45-S48 PolarHBondContact O-N 3.49Å; E46-S48 VanDerWaalsContact C-N 3.29Å; E46-S48 PolarHBondContact O-N 2.97Å
49	F	47	Very low	44.4	Very low	1 Å²	1	58.2 Å²	58.2	0%	0.004	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	4.7	-179.9	-55	-68.6	0	0	0	113.4	A45 E46 F47 P51 L52 L53 I70 V75 V77 T101 V105 L108	A45-F49 WeakPolarHBondContact O-CD2 3.34Å; A45-F49 WeakPolarHBondContact O-CE2 3.09Å; E46-F49 CarbonylContact O-C 3.4Å; E46-F49 PolarHBondContact O-N 3.49Å; F47-F49 PolarHBondContact O-N 2.79Å; F49-P51 VanDerWaalsContact C-N 3.26Å; F49-L52 HydrophobicContact CD1-CD1 4.14Å; F49-L52 WeakPolarHBondContact O-CA 3.33Å; F49-L52 VanDerWaalsContact O-CB 3.29Å; F49-L52 WeakPolarHBondContact O-CB 3.3Å; F49-L52 PolarHBondContact O-N 3.27Å; F49-L53 PolarHBondContact O-N 3.41Å; F49-L53 VanDerWaalsContact O-N 3.1Å; F49-I70 HydrophobicContact CD1-CG2 3.54Å; F49-I70 HydrophobicContact CE1-CG2 3.48Å; F49-I70 VanDerWaalsContact CE1-CG2 3.48Å; F49-V75 HydrophobicContact CZ-CB 4.34Å; F49-V75 HydrophobicContact CZ-CG1 4.17Å; F49-V77 HydrophobicContact CE1-CG2 4.5Å; F49-T101 HydrophobicContact CE2-CG2 4.49Å; F49-V105 HydrophobicContact CE1-CG2 4.39Å; F49-V105 HydrophobicContact CE2-CG2 3.84Å; F49-V105 HydrophobicContact CZ-CG2 3.61Å; F49-L108 HydrophobicContact CB-CD1 3.25Å; F49-L108 HydrophobicContact CB-CD2 4.21Å; F49-L108 HydrophobicContact CB-CG 4.38Å; F49-L108 HydrophobicContact CD1-CD1 4.03Å; F49-L108 HydrophobicContact CD2-CD1 3.52Å; F49-L108 HydrophobicContact CE2-CD1 4.36Å; F49-L108 HydrophobicContact CG-CD1 3.33Å
50	L	45	Very low	43.8	Very low	26 Å²	26	63.5 Å²	63.5	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-51.6	-37.8	174.3	-153.8	81.9	0	0	0	113.5	F18 L22 L26 E46 F47 L52 L53 V54	F18-L50 HydrophobicContact CE1-CD2 3.87Å; F18-L50 HydrophobicContact CE2-CB 4.45Å; F18-L50 HydrophobicContact CE2-CD2 4.45Å; F18-L50 HydrophobicContact CZ-CB 3.64Å; F18-L50 HydrophobicContact CZ-CD2 3.5Å; F18-L50 VanDerWaalsContact CZ-CD2 3.5Å; F18-L50 HydrophobicContact CZ-CG 4.22Å; L22-L50 HydrophobicContact CD2-CD2 4.12Å; L26-L50 HydrophobicContact CD1-CD1 4.18Å; L26-L50 HydrophobicContact CD1-CD2 3.54Å; E46-L50 PolarHBondContact O-N 2.9Å; F47-L50 HydrophobicContact CD1-CD1 3.93Å; F47-L50 HydrophobicContact CD1-CD2 4.26Å; F47-L50 HydrophobicContact CD1-CG 4.5Å; F47-L50 HydrophobicContact CE1-CD1 4.21Å; F47-L50 PolarHBondContact O-N 3.35Å; L50-L52 PolarHBondContact O-N 3.31Å; L50-L53 PolarHBondContact O-N 2.78Å; L50-V54 WeakPolarHBondContact O-CB 3.23Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 3.36Å
51	P	41.8	Very low	43.2	Very low	8 Å²	8	63.1 Å²	63.1	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-30.5	176.2	-20.6	31.9	0	0	0	113	V4 F18 F49 L55	V4-P51 HydrophobicContact CB-CB 4.04Å; V4-P51 HydrophobicContact CB-CG 3.76Å; V4-P51 HydrophobicContact CG1-CB 3.59Å; V4-P51 HydrophobicContact CG1-CG 3.76Å; V4-P51 HydrophobicContact CG2-CB 4.07Å; V4-P51 HydrophobicContact CG2-CG 3.25Å; F18-P51 HydrophobicContact CE2-CG 4.24Å; F49-P51 VanDerWaalsContact C-N 3.26Å; P51-L55 WeakPolarHBondContact O-CB 3.45Å; P51-L55 WeakPolarHBondContact O-CD1 3.47Å; P51-L55 VanDerWaalsContact O-CG 3.27Å; P51-L55 WeakPolarHBondContact O-CG 3.28Å; P51-L55 PolarHBondContact O-N 3.09Å
52	L	44.4	Very low	42.6	Very low	30 Å²	30	65.7 Å²	65.7	16%	0.157	32%	0.317	C	S	.	.	H	α-helix	trans	-74.7	-38.9	173.8	-81.6	135.3	0	0	0	112	F49 L50 V54 L55 C56 I67 I70	F49-L52 HydrophobicContact CD1-CD1 4.14Å; F49-L52 WeakPolarHBondContact O-CA 3.33Å; F49-L52 VanDerWaalsContact O-CB 3.29Å; F49-L52 WeakPolarHBondContact O-CB 3.3Å; F49-L52 PolarHBondContact O-N 3.27Å; L50-L52 PolarHBondContact O-N 3.31Å; L52-V54 VanDerWaalsContact C-N 3.34Å; L52-L55 PolarHBondContact O-N 3.25Å; L52-C56 WeakPolarHBondContact O-CB 3.45Å; L52-C56 PolarHBondContact O-N 2.96Å; L52-C56 PolarHBondContact O-SG 3.48Å; L52-I67 HydrophobicContact CD2-CD1 3.54Å; L52-I67 HydrophobicContact CD2-CG1 4.15Å; L52-I67 HydrophobicContact CD2-CG2 3.76Å; L52-I70 HydrophobicContact CD1-CB 4.08Å; L52-I70 HydrophobicContact CD1-CD1 4.02Å; L52-I70 HydrophobicContact CD1-CG1 3.8Å; L52-I70 HydrophobicContact CD1-CG2 3.29Å; L52-I70 HydrophobicContact CD2-CD1 3.95Å; L52-I70 HydrophobicContact CD2-CG1 3.77Å; L52-I70 HydrophobicContact CG-CG1 4.46Å
53	L	44.2	Very low	42	Very low	71 Å²	71	71.6 Å²	71.6	37%	0.372	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-44.3	171.4	-74.6	161.2	0	0	0	111.2	F49 L50 L55 C56 E57 L108	F49-L53 PolarHBondContact O-N 3.41Å; F49-L53 VanDerWaalsContact O-N 3.1Å; L50-L53 PolarHBondContact O-N 2.78Å; L53-L55 PolarHBondContact O-N 3.46Å; L53-C56 PolarHBondContact O-N 3.13Å; L53-E57 PolarHBondContact O-N 2.89Å; L53-L108 HydrophobicContact CD1-CD2 4.14Å; L53-L108 HydrophobicContact CD2-CD2 3.69Å; L53-L108 HydrophobicContact CG-CD2 3.55Å
54	V	42.4	Very low	41.2	Very low	57 Å²	57	76.9 Å²	76.9	35%	0.345	37%	0.371	S	S	.	.	H	α-helix	trans	-62.3	-42	174.3	172.7	0	0	0	0	110.4	I16 L50 L52 T58	I16-V54 HydrophobicContact CD1-CG1 4.3Å; L50-V54 WeakPolarHBondContact O-CB 3.23Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 3.36Å; L52-V54 VanDerWaalsContact C-N 3.34Å; V54-T58 WeakPolarHBondContact O-CA 3.35Å; V54-T58 WeakPolarHBondContact O-CB 3.39Å; V54-T58 PolarHBondContact O-N 3.03Å; V54-T58 PolarHBondContact O-OG1 3.21Å
55	L	42.4	Very low	40.5	Very low	45 Å²	45	74.7 Å²	74.7	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-44.7	175.7	-83	162.5	0	0	0	113	V6 P51 L52 L53 Y59	V6-L55 HydrophobicContact CG1-CD1 3.82Å; V6-L55 HydrophobicContact CG1-CD2 3.48Å; V6-L55 VanDerWaalsContact CG1-CD2 3.48Å; V6-L55 HydrophobicContact CG1-CG 4.04Å; V6-L55 HydrophobicContact CG2-CD1 4.19Å; P51-L55 WeakPolarHBondContact O-CB 3.45Å; P51-L55 WeakPolarHBondContact O-CD1 3.47Å; P51-L55 VanDerWaalsContact O-CG 3.27Å; P51-L55 WeakPolarHBondContact O-CG 3.28Å; P51-L55 PolarHBondContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 3.25Å; L53-L55 PolarHBondContact O-N 3.46Å; L55-Y59 HydrophobicContact CD2-CD2 3.52Å; L55-Y59 HydrophobicContact CD2-CE2 3.64Å; L55-Y59 HydrophobicContact CD2-CG 4.48Å; L55-Y59 WeakPolarHBondContact O-CB 3.45Å; L55-Y59 PolarHBondContact O-N 3.35Å
56	C	40.9	Very low	40.4	Very low	38 Å²	38	80.9 Å²	80.9	26%	0.257	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-42.7	177	-72	0	0	0	0	112.4	L52 L53	L52-C56 WeakPolarHBondContact O-CB 3.45Å; L52-C56 PolarHBondContact O-N 2.96Å; L52-C56 PolarHBondContact O-SG 3.48Å; L53-C56 PolarHBondContact O-N 3.13Å
57	E	38.6	Very low	40.4	Very low	166 Å²	166	81.2 Å²	81.2	78%	0.776	39%	0.387	S	S	*	.	H	α-helix	trans	-77.1	-37.8	178.6	-73.3	-166.2	161.9	0	0	113.1	L53	L53-E57 PolarHBondContact O-N 2.89Å
58	T	34.9	Very low	40.1	Very low	82 Å²	82	83.1 Å²	83.1	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-82.1	-33	-173	-46.9	0	0	0	0	112.8	V54	V54-T58 WeakPolarHBondContact O-CA 3.35Å; V54-T58 WeakPolarHBondContact O-CB 3.39Å; V54-T58 PolarHBondContact O-N 3.03Å; V54-T58 PolarHBondContact O-OG1 3.21Å
59	Y	36.1	Very low	40.1	Very low	98 Å²	98	86.1 Å²	86.1	38%	0.384	42%	0.418	S	S	.	.	H	α-helix	trans	-106	2.9	-172.6	-71.9	-87.3	0	0	0	114.7	R14 L55 L61	R14-Y59 VanDerWaalsContact CZ-OH 3.32Å; R14-Y59 PolarHBondContact NH1-OH 3.31Å; L55-Y59 HydrophobicContact CD2-CD2 3.52Å; L55-Y59 HydrophobicContact CD2-CE2 3.64Å; L55-Y59 HydrophobicContact CD2-CG 4.48Å; L55-Y59 WeakPolarHBondContact O-CB 3.45Å; L55-Y59 PolarHBondContact O-N 3.35Å; Y59-L61 PolarHBondContact O-N 3.14Å
60	Q	36.1	Very low	40.3	Very low	167 Å²	167	86.4 Å²	86.4	78%	0.78	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	50.6	-177.8	-64.7	-175.8	-12.4	0	0	111.7	R62	Q60-R62 PolarHBondContact O-N 3.25Å
61	L	36.9	Very low	40.4	Very low	70 Å²	70	89.4 Å²	89.4	37%	0.366	45%	0.448	S	S	.	.			trans	-47.6	120.1	174.9	-75.9	166.8	0	0	0	108	Y59 D65 I67	Y59-L61 PolarHBondContact O-N 3.14Å; L61-D65 HydrophobicContact CB-CB 4.12Å; L61-D65 HydrophobicContact CD2-CB 3.72Å; L61-I67 HydrophobicContact CD1-CD1 4.43Å; L61-I67 HydrophobicContact CD1-CG1 4.4Å
62	R	32.8	Very low	40.8	Very low	193 Å²	193	90.3 Å²	90.3	73%	0.728	45%	0.454	S	S	*	.			trans	-67.9	161.1	-175.1	-66.7	179.8	179.5	170.9	1.1	108.5	Q60 E64 D65	Q60-R62 PolarHBondContact O-N 3.25Å; R62-E64 PolarHBondContact O-N 3.24Å; R62-D65 PolarHBondContact N-OD2 2.89Å; R62-D65 PolarHBondContact O-N 3.34Å
63	F	30.9	Very low	40.8	Very low	149 Å²	149	93.3 Å²	93.3	65%	0.654	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-21.4	177.3	-114.6	-95.4	0	0	0	114.1	L113 A116	F63-L113 HydrophobicContact CD1-CD2 4.16Å; F63-L113 HydrophobicContact CE1-CD2 3.59Å; F63-L113 HydrophobicContact CZ-CD2 4.45Å; F63-A116 HydrophobicContact CE2-CB 4.32Å; F63-A116 HydrophobicContact CZ-CB 3.88Å
64	E	33.3	Very low	40.8	Very low	174 Å²	174	93.4 Å²	93.4	81%	0.813	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-17	-179	-61.7	175.1	176.6	0	0	113.4	R62 R66	R62-E64 PolarHBondContact O-N 3.24Å; E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.24Å
65	D	37.3	Very low	41.2	Very low	81 Å²	81	91.2 Å²	91.2	43%	0.433	47%	0.474	S	S	.	.			trans	-85.4	70.2	-177.2	-63.4	-42.2	0	0	0	110.5	L61 R62 I67	L61-D65 HydrophobicContact CB-CB 4.12Å; L61-D65 HydrophobicContact CD2-CB 3.72Å; R62-D65 PolarHBondContact N-OD2 2.89Å; R62-D65 PolarHBondContact O-N 3.34Å; D65-I67 PolarHBondContact O-N 2.85Å
66	R	43.6	Very low	41.9	Very low	137 Å²	137	90.5 Å²	90.5	52%	0.517	47%	0.473	S	S	.	.			trans	-65	126.1	174.4	-66.2	-175	-177.1	176.3	5.3	109.7	E64 S68 E81	E64-R66 VanDerWaalsContact C-N 3.3Å; E64-R66 PolarHBondContact O-N 3.24Å; R66-S68 PolarHBondContact O-N 3.09Å; R66-E81 IonicContact CZ-OE1 2.64Å; R66-E81 IonicContact NH1-OE1 3.56Å; R66-E81 PolarHBondContact NH1-OE1 3.35Å; R66-E81 IonicContact NH2-OE1 3.27Å
67	I	45.9	Very low	42.4	Very low	44 Å²	44	88.7 Å²	88.7	23%	0.226	46%	0.46	C	S	.	.			trans	-69.3	98.9	168.9	-60.3	155.6	0	0	0	107.2	L52 L61 D65 N69 I70 L79	L52-I67 HydrophobicContact CD2-CD1 3.54Å; L52-I67 HydrophobicContact CD2-CG1 4.15Å; L52-I67 HydrophobicContact CD2-CG2 3.76Å; L61-I67 HydrophobicContact CD1-CD1 4.43Å; L61-I67 HydrophobicContact CD1-CG1 4.4Å; D65-I67 PolarHBondContact O-N 2.85Å; I67-N69 VanDerWaalsContact C-N 3.34Å; I67-N69 WeakPolarHBondContact CG2-O 3.47Å; I67-I70 HydrophobicContact CB-CG1 4.48Å; I67-I70 HydrophobicContact CG2-CD1 3.89Å; I67-I70 HydrophobicContact CG2-CG1 3.36Å; I67-L79 WeakPolarHBondContact O-CD1 3.46Å
68	S	42.5	Very low	43	Very low	72 Å²	72	82.7 Å²	82.7	50%	0.503	43%	0.434	S	S	.	.			trans	-70.4	-29.9	-174.8	52.7	0	0	0	0	113.1	R66 L79	R66-S68 PolarHBondContact O-N 3.09Å; S68-L79 PolarHBondContact O-N 2.79Å
69	N	45	Very low	43.6	Very low	99 Å²	99	80.3 Å²	80.3	53%	0.529	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.1	179.1	-75.4	-36.8	0	0	0	111	I67 V77 D78	I67-N69 VanDerWaalsContact C-N 3.34Å; I67-N69 WeakPolarHBondContact CG2-O 3.47Å; N69-V77 CarbonylContact C-O 3.55Å; N69-V77 VanDerWaalsContact CA-O 3.31Å; N69-V77 WeakPolarHBondContact CA-O 3.34Å; N69-D78 WeakPolarHBondContact OD1-CA 3.32Å; N69-D78 WeakPolarHBondContact OD1-CB 3.3Å; N69-D78 PolarHBondContact OD1-OD1 2.89Å; N69-D78 VanDerWaalsContact OD1-OD1 3.11Å
70	I	50.8	Low	43.9	Very low	7 Å²	7	77.8 Å²	77.8	4%	0.036	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.2	172.4	-63.2	170.7	0	0	0	107.6	F49 L52 I67 S76 V77	F49-I70 HydrophobicContact CD1-CG2 3.54Å; F49-I70 HydrophobicContact CE1-CG2 3.48Å; F49-I70 VanDerWaalsContact CE1-CG2 3.48Å; L52-I70 HydrophobicContact CD1-CB 4.08Å; L52-I70 HydrophobicContact CD1-CD1 4.02Å; L52-I70 HydrophobicContact CD1-CG1 3.8Å; L52-I70 HydrophobicContact CD1-CG2 3.29Å; L52-I70 HydrophobicContact CD2-CD1 3.95Å; L52-I70 HydrophobicContact CD2-CG1 3.77Å; L52-I70 HydrophobicContact CG-CG1 4.46Å; I67-I70 HydrophobicContact CB-CG1 4.48Å; I67-I70 HydrophobicContact CG2-CD1 3.89Å; I67-I70 HydrophobicContact CG2-CG1 3.36Å; I70-S76 CarbonylContact O-C 3.38Å; I70-S76 WeakPolarHBondContact O-CA 3.37Å; I70-V77 HydrophobicContact CB-CB 4.06Å; I70-V77 HydrophobicContact CB-CG2 4.39Å; I70-V77 PolarHBondContact N-O 3.35Å; I70-V77 PolarHBondContact O-N 3Å
71	A	46.9	Very low	44	Very low	89 Å²	89	76.1 Å²	76.1	74%	0.736	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.6	174.5	0	0	0	0	0	111.3	V75	A71-V75 CarbonylContact C-O 3.5Å
72	S	50.3	Low	43.8	Very low	27 Å²	27	78.2 Å²	78.2	19%	0.189	41%	0.414	C	S	.	.			trans	-119.8	172.9	165	75.2	0	0	0	0	109.3	T74 V75	S72-T74 PolarHBondContact O-N 3.25Å; S72-T74 PolarHBondContact OG-N 3.21Å; S72-V75 PolarHBondContact N-O 3.49Å; S72-V75 PolarHBondContact OG-N 2.76Å; S72-V75 PolarHBondContact OG-O 3.46Å
73	A	44.9	Very low	43.6	Very low	94 Å²	94	76.9 Å²	76.9	78%	0.777	42%	0.422	S	S	*	.	S	Bend	trans	-59	-14.6	174.7	0	0	0	0	0	114
74	T	44.7	Very low	43.4	Very low	72 Å²	72	72.8 Å²	72.8	44%	0.442	42%	0.421	S	S	.	.	S	Bend	trans	-129.3	-8.7	-174.6	60.5	0	0	0	0	114.6	S72 G92 P93	S72-T74 PolarHBondContact O-N 3.25Å; S72-T74 PolarHBondContact OG-N 3.21Å; T74-G92 WeakPolarHBondContact O-CA 3.33Å; T74-P93 WeakPolarHBondContact O-CD 3.47Å
75	V	51.1	Low	43.2	Very low	11 Å²	11	67.4 Å²	67.4	7%	0.067	40%	0.398	C	S	.	.			trans	-151.1	128.3	-176.2	-176	0	0	0	0	109.4	F49 A71 S72 V77 I90 R91 T101	F49-V75 HydrophobicContact CZ-CB 4.34Å; F49-V75 HydrophobicContact CZ-CG1 4.17Å; A71-V75 CarbonylContact C-O 3.5Å; S72-V75 PolarHBondContact N-O 3.49Å; S72-V75 PolarHBondContact OG-N 2.76Å; S72-V75 PolarHBondContact OG-O 3.46Å; V75-V77 HydrophobicContact CG1-CG2 4.17Å; V75-I90 HydrophobicContact CG1-CG2 3.63Å; V75-R91 CarbonylContact C-O 3.58Å; V75-R91 WeakPolarHBondContact CA-O 3.45Å; V75-T101 HydrophobicContact CG1-CG2 4.48Å; V75-T101 HydrophobicContact CG2-CG2 3.93Å
76	S	56.4	Low	43.2	Very low	30 Å²	30	64 Å²	64	21%	0.21	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.8	162.3	88.7	0	0	0	0	109.9	I70 I90 R91	I70-S76 CarbonylContact O-C 3.38Å; I70-S76 WeakPolarHBondContact O-CA 3.37Å; S76-I90 CarbonylContact O-C 3.6Å; S76-I90 VanDerWaalsContact O-CA 3.31Å; S76-I90 WeakPolarHBondContact O-CA 3.41Å; S76-R91 PolarHBondContact N-O 3.14Å; S76-R91 PolarHBondContact O-N 3.45Å; S76-R91 VanDerWaalsContact OG-CB 3.29Å; S76-R91 WeakPolarHBondContact OG-CB 3.49Å; S76-R91 WeakPolarHBondContact OG-CG 3.33Å
77	V	51.7	Low	42.9	Very low	0 Å²	0	57.9 Å²	57.9	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.4	175.8	-174	0	0	0	0	106.5	F49 N69 I70 V75 L79 V88 L89 I90 V105	F49-V77 HydrophobicContact CE1-CG2 4.5Å; N69-V77 CarbonylContact C-O 3.55Å; N69-V77 VanDerWaalsContact CA-O 3.31Å; N69-V77 WeakPolarHBondContact CA-O 3.34Å; I70-V77 HydrophobicContact CB-CB 4.06Å; I70-V77 HydrophobicContact CB-CG2 4.39Å; I70-V77 PolarHBondContact N-O 3.35Å; I70-V77 PolarHBondContact O-N 3Å; V75-V77 HydrophobicContact CG1-CG2 4.17Å; V77-L79 HydrophobicContact CG1-CD1 4.38Å; V77-V88 HydrophobicContact CG1-CG1 3.88Å; V77-L89 CarbonylContact C-O 3.59Å; V77-L89 WeakPolarHBondContact CA-O 3.04Å; V77-I90 HydrophobicContact CG1-CG1 4.46Å; V77-I90 HydrophobicContact CG2-CG2 4.42Å; V77-V105 HydrophobicContact CB-CG1 4.24Å; V77-V105 HydrophobicContact CG1-CG1 3.53Å; V77-V105 HydrophobicContact CG2-CB 4.36Å; V77-V105 HydrophobicContact CG2-CG1 3.68Å; V77-V105 HydrophobicContact CG2-CG2 3.67Å
78	D	51.4	Low	42.9	Very low	40 Å²	40	55.8 Å²	55.8	21%	0.214	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.5	173.8	-61.9	15.9	0	0	0	108.5	N69 V88 L89 R91	N69-D78 WeakPolarHBondContact OD1-CA 3.32Å; N69-D78 WeakPolarHBondContact OD1-CB 3.3Å; N69-D78 PolarHBondContact OD1-OD1 2.89Å; N69-D78 VanDerWaalsContact OD1-OD1 3.11Å; D78-V88 CarbonylContact O-C 3.33Å; D78-V88 WeakPolarHBondContact O-CA 3.44Å; D78-L89 HydrophobicContact CB-CB 4.29Å; D78-L89 PolarHBondContact N-O 2.95Å; D78-L89 PolarHBondContact O-N 3.36Å; D78-R91 IonicContact OD1-NH1 3.1Å; D78-R91 PolarHBondContact OD1-NH1 2.96Å; D78-R91 IonicContact OD2-CZ 2.78Å; D78-R91 IonicContact OD2-NH1 2.73Å; D78-R91 PolarHBondContact OD2-NH1 3.46Å; D78-R91 IonicContact OD2-NH2 3.71Å; D78-R91 PolarHBondContact OD2-NH2 2.98Å
79	L	47.3	Very low	43	Very low	33 Å²	33	53.7 Å²	53.7	17%	0.173	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.7	167.8	-74.7	108.5	0	0	0	109.1	I67 S68 V77 T86 V87 V88 C109	I67-L79 WeakPolarHBondContact O-CD1 3.46Å; S68-L79 PolarHBondContact O-N 2.79Å; V77-L79 HydrophobicContact CG1-CD1 4.38Å; L79-T86 HydrophobicContact CD2-CG2 4.2Å; L79-V87 VanDerWaalsContact CA-O 3.32Å; L79-V87 WeakPolarHBondContact CA-O 3.39Å; L79-V88 HydrophobicContact CD2-CG2 3.9Å; L79-V88 HydrophobicContact CG-CG2 4.28Å; L79-C109 HydrophobicContact CD1-CB 4.46Å; L79-C109 HydrophobicContact CD2-CB 4.23Å
80	S	43	Very low	43.2	Very low	44 Å²	44	49 Å²	49	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143	176.9	61.9	0	0	0	0	110.9	V87	S80-V87 PolarHBondContact N-O 2.91Å; S80-V87 WeakPolarHBondContact O-CB 3.23Å; S80-V87 PolarHBondContact O-N 3.01Å; S80-V87 WeakPolarHBondContact OG-CB 3.42Å
81	E	38.3	Very low	43	Very low	133 Å²	133	52.5 Å²	52.5	62%	0.621	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.9	163.9	-70.6	-171.3	163.6	0	0	109.3	R66 L85	R66-E81 IonicContact CZ-OE1 2.64Å; R66-E81 IonicContact NH1-OE1 3.56Å; R66-E81 PolarHBondContact NH1-OE1 3.35Å; R66-E81 IonicContact NH2-OE1 3.27Å; E81-L85 CarbonylContact C-O 3.52Å; E81-L85 VanDerWaalsContact CA-O 3.28Å; E81-L85 WeakPolarHBondContact CA-O 3.15Å
82	Q	31.3	Very low	43.2	Very low	113 Å²	113	49 Å²	49	53%	0.528	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119	172.4	-72.8	-169.9	-21.4	0	0	108.6	G84 L85 V87	Q82-G84 VanDerWaalsContact C-N 3.26Å; Q82-G84 PolarHBondContact O-N 2.96Å; Q82-L85 PolarHBondContact N-O 3.24Å; Q82-L85 WeakPolarHBondContact O-CA 3.28Å; Q82-L85 WeakPolarHBondContact O-CB 3.13Å; Q82-L85 PolarHBondContact O-N 3.3Å; Q82-V87 HydrophobicContact CB-CG2 4.08Å; Q82-V87 HydrophobicContact CG-CG2 4.35Å
83	D	29.5	Very low	42.7	Very low	166 Å²	166	50.8 Å²	50.8	89%	0.888	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	38.5	175.4	-55.8	-32.5	0	0	0	114.6	L85	D83-L85 VanDerWaalsContact C-N 3.26Å; D83-L85 PolarHBondContact O-N 3.06Å
84	G	27.3	Very low	42.2	Very low	62 Å²	62	53.9 Å²	53.9	64%	0.639	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-3	-176.2	0	0	0	0	0	114.6	Q82	Q82-G84 VanDerWaalsContact C-N 3.26Å; Q82-G84 PolarHBondContact O-N 2.96Å
85	L	27.9	Very low	41.9	Very low	61 Å²	61	55 Å²	55	32%	0.319	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.4	177.3	-62.9	145.8	0	0	0	111.4	E81 Q82 D83 V87 D185 V187	E81-L85 CarbonylContact C-O 3.52Å; E81-L85 VanDerWaalsContact CA-O 3.28Å; E81-L85 WeakPolarHBondContact CA-O 3.15Å; Q82-L85 PolarHBondContact N-O 3.24Å; Q82-L85 WeakPolarHBondContact O-CA 3.28Å; Q82-L85 WeakPolarHBondContact O-CB 3.13Å; Q82-L85 PolarHBondContact O-N 3.3Å; D83-L85 VanDerWaalsContact C-N 3.26Å; D83-L85 PolarHBondContact O-N 3.06Å; L85-V87 HydrophobicContact CB-CG2 4.49Å; L85-V87 PolarHBondContact O-N 3.41Å; L85-D185 CarbonylContact C-O 3.54Å; L85-D185 WeakPolarHBondContact CA-O 3.32Å; L85-D185 HydrophobicContact CD2-CB 3.68Å; L85-D185 HydrophobicContact CG-CB 4.29Å; L85-V187 HydrophobicContact CD2-CG2 4.19Å
86	T	37.9	Very low	41.4	Very low	9 Å²	9	63.1 Å²	63.1	6%	0.055	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	107	163.9	-59.1	0	0	0	0	109.7	L79 F110 D185 G186 V187	L79-T86 HydrophobicContact CD2-CG2 4.2Å; T86-F110 HydrophobicContact CG2-CE1 4.49Å; T86-F110 HydrophobicContact CG2-CZ 4.42Å; T86-D185 PolarHBondContact N-O 3.01Å; T86-G186 CarbonylContact O-C 3.41Å; T86-G186 WeakPolarHBondContact O-CA 3.22Å; T86-V187 PolarHBondContact O-N 3.34Å
87	V	37.2	Very low	40.8	Very low	9 Å²	9	62 Å²	62	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.5	179.3	178.5	0	0	0	0	109.5	L79 S80 Q82 L85 V187 Y189	L79-V87 VanDerWaalsContact CA-O 3.32Å; L79-V87 WeakPolarHBondContact CA-O 3.39Å; S80-V87 PolarHBondContact N-O 2.91Å; S80-V87 WeakPolarHBondContact O-CB 3.23Å; S80-V87 PolarHBondContact O-N 3.01Å; S80-V87 WeakPolarHBondContact OG-CB 3.42Å; Q82-V87 HydrophobicContact CB-CG2 4.08Å; Q82-V87 HydrophobicContact CG-CG2 4.35Å; L85-V87 HydrophobicContact CB-CG2 4.49Å; L85-V87 PolarHBondContact O-N 3.41Å; V87-V187 WeakPolarHBondContact CA-O 3.39Å; V87-Y189 HydrophobicContact CG1-CD2 3.54Å; V87-Y189 HydrophobicContact CG1-CE2 3.69Å
88	V	45	Very low	40.7	Very low	1 Å²	1	63.7 Å²	63.7	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.5	173.8	-176.4	0	0	0	0	109	V77 D78 L79 I90 V105 F110 V187 V188 Y189	V77-V88 HydrophobicContact CG1-CG1 3.88Å; D78-V88 CarbonylContact O-C 3.33Å; D78-V88 WeakPolarHBondContact O-CA 3.44Å; L79-V88 HydrophobicContact CD2-CG2 3.9Å; L79-V88 HydrophobicContact CG-CG2 4.28Å; V88-I90 HydrophobicContact CG1-CG1 4.26Å; V88-V105 HydrophobicContact CG1-CG1 4.29Å; V88-F110 HydrophobicContact CG2-CE2 3.81Å; V88-F110 HydrophobicContact CG2-CZ 3.68Å; V88-V187 PolarHBondContact N-O 2.84Å; V88-V188 HydrophobicContact CB-CG2 4.45Å; V88-V188 CarbonylContact O-C 3.57Å; V88-V188 WeakPolarHBondContact O-CA 3.49Å; V88-Y189 PolarHBondContact O-N 3.39Å
89	L	44.3	Very low	40.5	Very low	27 Å²	27	65.8 Å²	65.8	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	102.8	-174.9	-180	60.1	0	0	0	111.1	V77 D78 R91 Y189 E191	V77-L89 CarbonylContact C-O 3.59Å; V77-L89 WeakPolarHBondContact CA-O 3.04Å; D78-L89 HydrophobicContact CB-CB 4.29Å; D78-L89 PolarHBondContact N-O 2.95Å; D78-L89 PolarHBondContact O-N 3.36Å; L89-R91 HydrophobicContact CG-CG 4.06Å; L89-Y189 CarbonylContact C-O 3.38Å; L89-Y189 WeakPolarHBondContact CA-O 3.32Å; L89-Y189 VanDerWaalsContact CD1-CB 3.48Å; L89-Y189 HydrophobicContact CD1-CG 4.45Å; L89-E191 HydrophobicContact CD1-CB 4.25Å
90	I	49.6	Very low	40.4	Very low	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	105.6	-179.6	-48.4	-179.6	0	0	0	109.2	V75 S76 V77 V88 I97 V102 V105 V188 Y189 V190 E191	V75-I90 HydrophobicContact CG1-CG2 3.63Å; S76-I90 CarbonylContact O-C 3.6Å; S76-I90 VanDerWaalsContact O-CA 3.31Å; S76-I90 WeakPolarHBondContact O-CA 3.41Å; V77-I90 HydrophobicContact CG1-CG1 4.46Å; V77-I90 HydrophobicContact CG2-CG2 4.42Å; V88-I90 HydrophobicContact CG1-CG1 4.26Å; I90-I97 HydrophobicContact CG2-CD1 4.15Å; I90-I97 HydrophobicContact CG2-CG2 4.24Å; I90-V102 HydrophobicContact CD1-CB 4.28Å; I90-V102 HydrophobicContact CD1-CG1 4.04Å; I90-V102 HydrophobicContact CD1-CG2 4.12Å; I90-V105 HydrophobicContact CD1-CB 3.9Å; I90-V105 HydrophobicContact CD1-CG1 3.75Å; I90-V105 HydrophobicContact CD1-CG2 4.27Å; I90-V105 HydrophobicContact CG1-CG1 3.99Å; I90-V188 HydrophobicContact CD1-CG1 4.34Å; I90-Y189 PolarHBondContact N-O 3.01Å; I90-V190 HydrophobicContact CB-CG2 4.29Å; I90-V190 HydrophobicContact CD1-CG2 4.27Å; I90-V190 CarbonylContact O-C 3.5Å; I90-V190 WeakPolarHBondContact O-CA 3.47Å; I90-E191 PolarHBondContact O-N 3.15Å
91	R	47.3	Very low	40.6	Very low	81 Å²	81	65.1 Å²	65.1	31%	0.306	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	153.6	176.3	-39.5	-168.2	173.4	97.1	-9.3	112.1	V75 S76 D78 L89 E191	V75-R91 CarbonylContact C-O 3.58Å; V75-R91 WeakPolarHBondContact CA-O 3.45Å; S76-R91 PolarHBondContact N-O 3.14Å; S76-R91 PolarHBondContact O-N 3.45Å; S76-R91 VanDerWaalsContact OG-CB 3.29Å; S76-R91 WeakPolarHBondContact OG-CB 3.49Å; S76-R91 WeakPolarHBondContact OG-CG 3.33Å; D78-R91 IonicContact OD1-NH1 3.1Å; D78-R91 PolarHBondContact OD1-NH1 2.96Å; D78-R91 IonicContact OD2-CZ 2.78Å; D78-R91 IonicContact OD2-NH1 2.73Å; D78-R91 PolarHBondContact OD2-NH1 3.46Å; D78-R91 IonicContact OD2-NH2 3.71Å; D78-R91 PolarHBondContact OD2-NH2 2.98Å; L89-R91 HydrophobicContact CG-CG 4.06Å; R91-E191 CarbonylContact C-O 3.57Å; R91-E191 VanDerWaalsContact CA-O 3.25Å; R91-E191 WeakPolarHBondContact CA-O 3.42Å; R91-E191 HydrophobicContact CB-CB 4.2Å; R91-E191 WeakPolarHBondContact CD-OE2 3.3Å; R91-E191 HydrophobicContact CG-CB 3.96Å; R91-E191 WeakPolarHBondContact CG-OE2 3.3Å; R91-E191 IonicContact NE-OE2 3.51Å; R91-E191 PolarHBondContact NE-OE2 3.42Å
92	G	50.5	Low	41	Very low	15 Å²	15	59.1 Å²	59.1	16%	0.155	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	164.3	174.2	0	0	0	0	0	112.5	T74 E191 G193	T74-G92 WeakPolarHBondContact O-CA 3.33Å; G92-E191 PolarHBondContact N-O 3.2Å; G92-G193 PolarHBondContact O-N 2.95Å
93	P	41.1	Very low	41.8	Very low	65 Å²	65	58.3 Å²	58.3	42%	0.422	32%	0.315	S	S	.	.	S	Bend	trans	-64.8	174.4	174.8	29.8	-29.2	0	0	0	110.2	T74 T95	T74-P93 WeakPolarHBondContact O-CD 3.47Å; P93-T95 PolarHBondContact O-N 2.92Å
94	N	33.6	Very low	42.7	Very low	159 Å²	159	50.5 Å²	50.5	85%	0.85	27%	0.273	S	S	*	.	S	Bend	trans	-55	16.8	-171.4	-80.1	-25.2	0	0	0	118
95	T	38.7	Very low	43.8	Very low	95 Å²	95	47.5 Å²	47.5	58%	0.583	24%	0.243	S	C	*	.	S	Bend	trans	-101.9	138.1	171.9	48.9	0	0	0	0	111.2	P93 I97	P93-T95 PolarHBondContact O-N 2.92Å; T95-I97 PolarHBondContact O-N 2.95Å; T95-I97 VanDerWaalsContact O-N 3.11Å
96	R	40.5	Very low	44.8	Very low	182 Å²	182	47.2 Å²	47.2	69%	0.687	24%	0.241	S	C	*	.			trans	-56.2	114.4	177.1	-174.4	-179.9	-177.9	176.5	3.5	111.3	S98	R96-S98 PolarHBondContact O-N 2.86Å
97	I	44	Very low	45.3	Very low	8 Å²	8	54.6 Å²	54.6	4%	0.041	27%	0.268	C	S	.	.			trans	-63.6	121.1	171.3	-61.7	165.5	0	0	0	108.1	I90 T95 T101 V102 V190 Q192 Y199	I90-I97 HydrophobicContact CG2-CD1 4.15Å; I90-I97 HydrophobicContact CG2-CG2 4.24Å; T95-I97 PolarHBondContact O-N 2.95Å; T95-I97 VanDerWaalsContact O-N 3.11Å; I97-T101 HydrophobicContact CG2-CG2 3.96Å; I97-V102 HydrophobicContact CG2-CG2 4.09Å; I97-V190 HydrophobicContact CB-CG1 4Å; I97-V190 HydrophobicContact CD1-CG1 3.59Å; I97-V190 HydrophobicContact CG1-CG1 4.38Å; I97-V190 HydrophobicContact CG2-CG1 4.19Å; I97-Q192 HydrophobicContact CB-CG 4.32Å; I97-Q192 HydrophobicContact CD1-CG 3.85Å; I97-Q192 HydrophobicContact CG1-CG 3.97Å; I97-Q192 PolarHBondContact O-NE2 2.89Å; I97-Y199 PolarHBondContact O-OH 3.48Å
98	S	48.6	Very low	45.8	Very low	34 Å²	34	55 Å²	55	24%	0.238	27%	0.27	C	S	.	.			trans	-75	152.1	-175.5	79.4	0	0	0	0	111.6	R96 D100 T101 V102	R96-S98 PolarHBondContact O-N 2.86Å; S98-D100 PolarHBondContact O-N 2.93Å; S98-D100 PolarHBondContact OG-N 3.36Å; S98-T101 WeakPolarHBondContact O-CA 3.49Å; S98-T101 VanDerWaalsContact O-CB 3.27Å; S98-T101 WeakPolarHBondContact O-CB 3.26Å; S98-T101 PolarHBondContact O-N 3.36Å; S98-T101 PolarHBondContact OG-N 3.31Å; S98-T101 PolarHBondContact OG-OG1 2.85Å; S98-V102 PolarHBondContact O-N 3.11Å; S98-V102 VanDerWaalsContact O-N 3.08Å
99	M	47.2	Very low	45.9	Very low	84 Å²	84	56.1 Å²	56.1	41%	0.414	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-27.8	172.2	-82.2	-60.5	-62.9	0	0	112.5	T101 V102 K103 Y199	M99-T101 VanDerWaalsContact C-N 3.34Å; M99-V102 PolarHBondContact O-N 3.22Å; M99-K103 WeakPolarHBondContact O-CB 3.35Å; M99-K103 VanDerWaalsContact O-CG 3.24Å; M99-K103 WeakPolarHBondContact O-CG 3.11Å; M99-K103 PolarHBondContact O-N 3.18Å; M99-Y199 HydrophobicContact CG-CE1 4.07Å; M99-Y199 HydrophobicContact SD-CD1 3.45Å; M99-Y199 WeakPolarHBondContact SD-CD1 3.49Å; M99-Y199 HydrophobicContact SD-CE1 3.28Å; M99-Y199 WeakPolarHBondContact SD-CE1 3.47Å; M99-Y199 HydrophobicContact SD-CG 4.16Å
100	D	46.5	Very low	46	Very low	46 Å²	46	56.8 Å²	56.8	25%	0.246	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-41.8	174.7	-70.3	-13.8	0	0	0	110.5	S39 Y42 S98 K103 A104	S39-D100 PolarHBondContact OG-OD2 3.49Å; Y42-D100 HydrophobicContact CD2-CB 3.43Å; Y42-D100 VanDerWaalsContact CD2-CB 3.43Å; Y42-D100 HydrophobicContact CE2-CB 4.31Å; Y42-D100 HydrophobicContact CG-CB 4.11Å; S98-D100 PolarHBondContact O-N 2.93Å; S98-D100 PolarHBondContact OG-N 3.36Å; D100-K103 PolarHBondContact O-N 3.14Å; D100-A104 WeakPolarHBondContact O-CB 3.37Å; D100-A104 PolarHBondContact O-N 2.97Å
101	T	46.9	Very low	45.4	Very low	17 Å²	17	57.8 Å²	57.8	10%	0.104	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-45	172.2	-47.2	0	0	0	0	112.1	A45 F49 V75 I97 S98 M99 K103 A104 V105	A45-T101 HydrophobicContact CB-CG2 4.48Å; F49-T101 HydrophobicContact CE2-CG2 4.49Å; V75-T101 HydrophobicContact CG1-CG2 4.48Å; V75-T101 HydrophobicContact CG2-CG2 3.93Å; I97-T101 HydrophobicContact CG2-CG2 3.96Å; S98-T101 WeakPolarHBondContact O-CA 3.49Å; S98-T101 VanDerWaalsContact O-CB 3.27Å; S98-T101 WeakPolarHBondContact O-CB 3.26Å; S98-T101 PolarHBondContact O-N 3.36Å; S98-T101 PolarHBondContact OG-N 3.31Å; S98-T101 PolarHBondContact OG-OG1 2.85Å; M99-T101 VanDerWaalsContact C-N 3.34Å; T101-K103 PolarHBondContact O-N 3.49Å; T101-A104 PolarHBondContact O-N 3.36Å; T101-V105 WeakPolarHBondContact O-CG2 3.32Å; T101-V105 PolarHBondContact O-N 3.36Å
102	V	47.1	Very low	44.9	Very low	7 Å²	7	57.8 Å²	57.8	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-42.6	177.7	178.4	0	0	0	0	111.2	I90 I97 S98 M99 V105 L106 V190 Y199	I90-V102 HydrophobicContact CD1-CB 4.28Å; I90-V102 HydrophobicContact CD1-CG1 4.04Å; I90-V102 HydrophobicContact CD1-CG2 4.12Å; I97-V102 HydrophobicContact CG2-CG2 4.09Å; S98-V102 PolarHBondContact O-N 3.11Å; S98-V102 VanDerWaalsContact O-N 3.08Å; M99-V102 PolarHBondContact O-N 3.22Å; V102-V105 PolarHBondContact O-N 2.64Å; V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.44Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.34Å; V102-L106 PolarHBondContact O-N 3.47Å; V102-V190 HydrophobicContact CG2-CG2 4.06Å; V102-Y199 HydrophobicContact CG2-CE2 4.29Å
103	K	47.5	Very low	44	Very low	96 Å²	96	60.3 Å²	60.3	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.7	-74.8	171	-178.2	177.1	0	112.3	M99 D100 T101 L106 R107	M99-K103 WeakPolarHBondContact O-CB 3.35Å; M99-K103 VanDerWaalsContact O-CG 3.24Å; M99-K103 WeakPolarHBondContact O-CG 3.11Å; M99-K103 PolarHBondContact O-N 3.18Å; D100-K103 PolarHBondContact O-N 3.14Å; T101-K103 PolarHBondContact O-N 3.49Å; K103-L106 PolarHBondContact O-N 3.19Å; K103-R107 VanDerWaalsContact O-CB 3.29Å; K103-R107 WeakPolarHBondContact O-CB 3.38Å; K103-R107 PolarHBondContact O-N 3.44Å
104	A	48.1	Very low	43.5	Very low	2 Å²	2	60.9 Å²	60.9	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-46.8	176	0	0	0	0	0	111	E46 D100 T101 R107 L108	E46-A104 HydrophobicContact CG-CB 4.09Å; D100-A104 WeakPolarHBondContact O-CB 3.37Å; D100-A104 PolarHBondContact O-N 2.97Å; T101-A104 PolarHBondContact O-N 3.36Å; A104-R107 PolarHBondContact O-N 3.25Å; A104-L108 VanDerWaalsContact O-CD1 3.3Å; A104-L108 WeakPolarHBondContact O-CD1 3.27Å; A104-L108 WeakPolarHBondContact O-CG 3.28Å; A104-L108 PolarHBondContact O-N 3.07Å
105	V	50.6	Low	43.3	Very low	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-48.4	176.8	171.4	0	0	0	0	112	F49 V77 V88 I90 T101 V102 R107 L108 C109	F49-V105 HydrophobicContact CE1-CG2 4.39Å; F49-V105 HydrophobicContact CE2-CG2 3.84Å; F49-V105 HydrophobicContact CZ-CG2 3.61Å; V77-V105 HydrophobicContact CB-CG1 4.24Å; V77-V105 HydrophobicContact CG1-CG1 3.53Å; V77-V105 HydrophobicContact CG2-CB 4.36Å; V77-V105 HydrophobicContact CG2-CG1 3.68Å; V77-V105 HydrophobicContact CG2-CG2 3.67Å; V88-V105 HydrophobicContact CG1-CG1 4.29Å; I90-V105 HydrophobicContact CD1-CB 3.9Å; I90-V105 HydrophobicContact CD1-CG1 3.75Å; I90-V105 HydrophobicContact CD1-CG2 4.27Å; I90-V105 HydrophobicContact CG1-CG1 3.99Å; T101-V105 WeakPolarHBondContact O-CG2 3.32Å; T101-V105 PolarHBondContact O-N 3.36Å; V102-V105 PolarHBondContact O-N 2.64Å; V105-R107 VanDerWaalsContact C-N 3.29Å; V105-R107 PolarHBondContact O-N 2.83Å; V105-L108 WeakPolarHBondContact O-CB 3.44Å; V105-L108 PolarHBondContact O-N 3.27Å; V105-L108 VanDerWaalsContact O-N 3.07Å; V105-C109 PolarHBondContact O-N 3.26Å; V105-C109 PolarHBondContact O-SG 2.73Å
106	L	48.4	Very low	42.7	Very low	55 Å²	55	55.1 Å²	55.1	29%	0.288	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-37.8	177.3	-68	173.5	0	0	0	112.2	V102 K103 L108 F110 V188	V102-L106 HydrophobicContact CG1-CD1 4.04Å; V102-L106 HydrophobicContact CG1-CG 4.44Å; V102-L106 VanDerWaalsContact O-CG 3.31Å; V102-L106 WeakPolarHBondContact O-CG 3.34Å; V102-L106 PolarHBondContact O-N 3.47Å; K103-L106 PolarHBondContact O-N 3.19Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L106-F110 HydrophobicContact CB-CD2 4.49Å; L106-F110 HydrophobicContact CD2-CD2 3.99Å; L106-F110 HydrophobicContact CD2-CE2 3.74Å; L106-F110 WeakPolarHBondContact O-CB 3.25Å; L106-F110 WeakPolarHBondContact O-CD2 3.35Å; L106-F110 PolarHBondContact O-N 3.36Å; L106-V188 HydrophobicContact CD2-CG1 4.48Å; L106-V188 HydrophobicContact CD2-CG2 3.74Å
107	R	48.1	Very low	42.1	Very low	163 Å²	163	49.7 Å²	49.7	62%	0.615	28%	0.284	S	S	*	.	H	α-helix	trans	-67.1	-31.4	174.2	-173.9	175.3	-179.6	145.4	0.9	112.2	K103 A104 V105 G111	K103-R107 VanDerWaalsContact O-CB 3.29Å; K103-R107 WeakPolarHBondContact O-CB 3.38Å; K103-R107 PolarHBondContact O-N 3.44Å; A104-R107 PolarHBondContact O-N 3.25Å; V105-R107 VanDerWaalsContact C-N 3.29Å; V105-R107 PolarHBondContact O-N 2.83Å; R107-G111 WeakPolarHBondContact O-CA 3.27Å; R107-G111 PolarHBondContact O-N 2.85Å
108	L	49	Very low	41.5	Very low	18 Å²	18	51.9 Å²	51.9	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-75.5	-44	175.9	-70	156.1	0	0	0	111.9	F49 L53 A104 V105 L106 P112	F49-L108 HydrophobicContact CB-CD1 3.25Å; F49-L108 HydrophobicContact CB-CD2 4.21Å; F49-L108 HydrophobicContact CB-CG 4.38Å; F49-L108 HydrophobicContact CD1-CD1 4.03Å; F49-L108 HydrophobicContact CD2-CD1 3.52Å; F49-L108 HydrophobicContact CE2-CD1 4.36Å; F49-L108 HydrophobicContact CG-CD1 3.33Å; L53-L108 HydrophobicContact CD1-CD2 4.14Å; L53-L108 HydrophobicContact CD2-CD2 3.69Å; L53-L108 HydrophobicContact CG-CD2 3.55Å; A104-L108 VanDerWaalsContact O-CD1 3.3Å; A104-L108 WeakPolarHBondContact O-CD1 3.27Å; A104-L108 WeakPolarHBondContact O-CG 3.28Å; A104-L108 PolarHBondContact O-N 3.07Å; V105-L108 WeakPolarHBondContact O-CB 3.44Å; V105-L108 PolarHBondContact O-N 3.27Å; V105-L108 VanDerWaalsContact O-N 3.07Å; L106-L108 VanDerWaalsContact C-N 3.31Å; L108-P112 WeakPolarHBondContact O-CD 3.3Å
109	C	46.9	Very low	40.7	Very low	24 Å²	24	56.7 Å²	56.7	16%	0.162	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-33.9	-178.7	-59.6	0	0	0	0	113	L79 V105	L79-C109 HydrophobicContact CD1-CB 4.46Å; L79-C109 HydrophobicContact CD2-CB 4.23Å; V105-C109 PolarHBondContact O-N 3.26Å; V105-C109 PolarHBondContact O-SG 2.73Å
110	F	45.8	Very low	40	Very low	41 Å²	41	59.7 Å²	59.7	18%	0.18	34%	0.335	C	S	.	.	H	α-helix	trans	-125.5	-9.4	-172.7	-53.9	-73.9	0	0	0	114.4	T86 V88 L106 L113 L114	T86-F110 HydrophobicContact CG2-CE1 4.49Å; T86-F110 HydrophobicContact CG2-CZ 4.42Å; V88-F110 HydrophobicContact CG2-CE2 3.81Å; V88-F110 HydrophobicContact CG2-CZ 3.68Å; L106-F110 HydrophobicContact CB-CD2 4.49Å; L106-F110 HydrophobicContact CD2-CD2 3.99Å; L106-F110 HydrophobicContact CD2-CE2 3.74Å; L106-F110 WeakPolarHBondContact O-CB 3.25Å; L106-F110 WeakPolarHBondContact O-CD2 3.35Å; L106-F110 PolarHBondContact O-N 3.36Å; F110-L113 HydrophobicContact CD1-CD1 3.98Å; F110-L113 CarbonylContact O-C 3.57Å; F110-L113 WeakPolarHBondContact O-CA 3.35Å; F110-L113 WeakPolarHBondContact O-CB 3.18Å; F110-L113 PolarHBondContact O-N 2.67Å; F110-L113 VanDerWaalsContact O-N 3.1Å; F110-L114 WeakPolarHBondContact O-CG 3.42Å; F110-L114 PolarHBondContact O-N 2.93Å
111	G	37.6	Very low	39.5	Very low	21 Å²	21	63 Å²	63	22%	0.216	35%	0.347	C	S	.	.	H	α-helix	trans	-60.1	-38.2	175.3	0	0	0	0	0	114.2	R107 L113 L114 G115	R107-G111 WeakPolarHBondContact O-CA 3.27Å; R107-G111 PolarHBondContact O-N 2.85Å; G111-L113 VanDerWaalsContact C-N 3.29Å; G111-L113 PolarHBondContact O-N 2.98Å; G111-L114 PolarHBondContact O-N 2.72Å; G111-G115 PolarHBondContact O-N 3.43Å
112	P	36.2	Very low	38.8	Very low	81 Å²	81	65.6 Å²	65.6	53%	0.526	36%	0.36	S	S	.	.	H	α-helix	trans	-60.9	-36.1	170.7	-24.3	34.6	0	0	0	113	L108	L108-P112 WeakPolarHBondContact O-CD 3.3Å
113	L	32.3	Very low	38.4	Very low	69 Å²	69	71.1 Å²	71.1	36%	0.361	39%	0.386	S	S	.	.	H	α-helix	trans	-70	-34.1	174.3	-79.7	153.2	0	0	0	112.3	F63 F110 G111 L184	F63-L113 HydrophobicContact CD1-CD2 4.16Å; F63-L113 HydrophobicContact CE1-CD2 3.59Å; F63-L113 HydrophobicContact CZ-CD2 4.45Å; F110-L113 HydrophobicContact CD1-CD1 3.98Å; F110-L113 CarbonylContact O-C 3.57Å; F110-L113 WeakPolarHBondContact O-CA 3.35Å; F110-L113 WeakPolarHBondContact O-CB 3.18Å; F110-L113 PolarHBondContact O-N 2.67Å; F110-L113 VanDerWaalsContact O-N 3.1Å; G111-L113 VanDerWaalsContact C-N 3.29Å; G111-L113 PolarHBondContact O-N 2.98Å; L113-L184 HydrophobicContact CD1-CD1 4.35Å
114	L	29.7	Very low	37.9	Very low	76 Å²	76	72.3 Å²	72.3	40%	0.398	39%	0.393	S	S	.	.	H	α-helix	trans	-78.7	-25.4	177.7	-71.6	163.5	0	0	0	113.2	F110 G111 A116 L117 L174	F110-L114 WeakPolarHBondContact O-CG 3.42Å; F110-L114 PolarHBondContact O-N 2.93Å; G111-L114 PolarHBondContact O-N 2.72Å; L114-A116 PolarHBondContact O-N 2.97Å; L114-L117 PolarHBondContact O-N 3.08Å; L114-L174 HydrophobicContact CD1-CD2 4.42Å
115	G	29.7	Very low	37.4	Very low	69 Å²	69	75.7 Å²	75.7	71%	0.711	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14	175.9	0	0	0	0	0	114.4	G111	G111-G115 PolarHBondContact O-N 3.43Å
116	A	26.7	Very low	36.8	Very low	64 Å²	64	77.4 Å²	77.4	53%	0.529	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.4	179	0	0	0	0	0	114.4	F63 L114	F63-A116 HydrophobicContact CE2-CB 4.32Å; F63-A116 HydrophobicContact CZ-CB 3.88Å; L114-A116 PolarHBondContact O-N 2.97Å
117	L	26.6	Very low	36.6	Very low	68 Å²	68	78.8 Å²	78.8	36%	0.356	43%	0.427	S	S	.	.	S	Bend	trans	-90.9	112.9	174.8	-73.5	165.1	0	0	0	109.2	L114 K121 L122	L114-L117 PolarHBondContact O-N 3.08Å; L117-K121 HydrophobicContact CD2-CB 4.28Å; L117-K121 HydrophobicContact CD2-CD 4.21Å; L117-L122 HydrophobicContact CB-CD1 4.17Å
118	S	32	Very low	36.2	Very low	55 Å²	55	74.7 Å²	74.7	39%	0.385	42%	0.417	S	S	.	.			trans	-53.4	147	172.2	67.1	0	0	0	0	110.4	E120 K121 L122	S118-E120 PolarHBondContact O-N 3.47Å; S118-E120 VanDerWaalsContact O-N 3.09Å; S118-K121 PolarHBondContact O-N 3.28Å; S118-K121 PolarHBondContact OG-N 3.43Å; S118-K121 VanDerWaalsContact OG-N 3.17Å; S118-L122 PolarHBondContact O-N 3.24Å
119	L	31.4	Very low	35.9	Very low	135 Å²	135	74.8 Å²	74.8	71%	0.707	42%	0.421	S	S	*	.	H	α-helix	trans	-52.1	-34	176.1	-150.7	99.9	0	0	0	111.4	L122 Q123	L119-L122 WeakPolarHBondContact O-CB 3.15Å; L119-L122 PolarHBondContact O-N 3.01Å; L119-Q123 WeakPolarHBondContact O-CG 3.48Å; L119-Q123 PolarHBondContact O-N 3.39Å
120	E	33.1	Very low	35.7	Very low	147 Å²	147	78.6 Å²	78.6	69%	0.687	44%	0.436	S	S	*	.	H	α-helix	trans	-64.5	-47.4	174.5	-66.8	176.3	161	0	0	112.7	S118 L122 Q123 E124	S118-E120 PolarHBondContact O-N 3.47Å; S118-E120 VanDerWaalsContact O-N 3.09Å; E120-L122 PolarHBondContact O-N 3.2Å; E120-Q123 WeakPolarHBondContact O-CB 3.42Å; E120-Q123 PolarHBondContact O-N 3.46Å; E120-Q123 VanDerWaalsContact O-N 3.14Å; E120-E124 WeakPolarHBondContact O-CB 3.37Å; E120-E124 PolarHBondContact O-N 2.87Å
121	K	35.1	Very low	35.6	Very low	115 Å²	115	84 Å²	84	50%	0.5	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-33.9	174.8	-97.9	179.1	172.6	178.1	0	112	L117 S118 Q123 Q125	L117-K121 HydrophobicContact CD2-CB 4.28Å; L117-K121 HydrophobicContact CD2-CD 4.21Å; S118-K121 PolarHBondContact O-N 3.28Å; S118-K121 PolarHBondContact OG-N 3.43Å; S118-K121 VanDerWaalsContact OG-N 3.17Å; K121-Q123 VanDerWaalsContact C-N 3.35Å; K121-Q125 VanDerWaalsContact O-CB 3.27Å; K121-Q125 WeakPolarHBondContact O-CB 3.32Å; K121-Q125 WeakPolarHBondContact O-CG 3.35Å; K121-Q125 PolarHBondContact O-N 3.41Å
122	L	33.7	Very low	35.7	Very low	72 Å²	72	85.8 Å²	85.8	38%	0.377	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-37.7	174.8	-114.2	139.1	0	0	0	112.3	L117 S118 L119 E120 S126	L117-L122 HydrophobicContact CB-CD1 4.17Å; S118-L122 PolarHBondContact O-N 3.24Å; L119-L122 WeakPolarHBondContact O-CB 3.15Å; L119-L122 PolarHBondContact O-N 3.01Å; E120-L122 PolarHBondContact O-N 3.2Å; L122-S126 WeakPolarHBondContact O-CB 3.13Å; L122-S126 PolarHBondContact O-N 3.44Å
123	Q	37.4	Very low	36	Very low	123 Å²	123	86.2 Å²	86.2	58%	0.575	46%	0.457	S	S	*	.	H	α-helix	trans	-74	-41.7	175	-74.2	173.4	-14.7	0	0	112	L119 E120 K121 S126 L127	L119-Q123 WeakPolarHBondContact O-CG 3.48Å; L119-Q123 PolarHBondContact O-N 3.39Å; E120-Q123 WeakPolarHBondContact O-CB 3.42Å; E120-Q123 PolarHBondContact O-N 3.46Å; E120-Q123 VanDerWaalsContact O-N 3.14Å; K121-Q123 VanDerWaalsContact C-N 3.35Å; Q123-S126 WeakPolarHBondContact O-CB 3.39Å; Q123-S126 PolarHBondContact O-N 3.09Å; Q123-L127 PolarHBondContact O-N 2.83Å
124	E	37.9	Very low	36.6	Very low	120 Å²	120	90.2 Å²	90.2	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-62	-45.9	177.1	-168.4	178	-164	0	0	111.6	E120 S126 L127 I128	E120-E124 WeakPolarHBondContact O-CB 3.37Å; E120-E124 PolarHBondContact O-N 2.87Å; E124-S126 PolarHBondContact O-N 3.38Å; E124-L127 WeakPolarHBondContact O-CB 3.43Å; E124-L127 PolarHBondContact O-N 3.36Å; E124-I128 HydrophobicContact CG-CD1 4.37Å; E124-I128 WeakPolarHBondContact O-CG1 3.42Å; E124-I128 PolarHBondContact O-N 3.32Å
125	Q	37	Very low	37.2	Very low	73 Å²	73	92.7 Å²	92.7	34%	0.341	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-33.1	176.7	-70.4	-102.9	-28.5	0	0	113	K121 I128 A129	K121-Q125 VanDerWaalsContact O-CB 3.27Å; K121-Q125 WeakPolarHBondContact O-CB 3.32Å; K121-Q125 WeakPolarHBondContact O-CG 3.35Å; K121-Q125 PolarHBondContact O-N 3.41Å; Q125-I128 PolarHBondContact O-N 3.39Å; Q125-A129 WeakPolarHBondContact O-CB 3.46Å; Q125-A129 PolarHBondContact O-N 2.85Å
126	S	39.2	Very low	37.5	Very low	37 Å²	37	92.2 Å²	92.2	26%	0.259	46%	0.457	S	S	.	.	H	α-helix	trans	-62.9	-42.9	170.8	-175.6	0	0	0	0	111.3	L122 Q123 E124 A129 E130	L122-S126 WeakPolarHBondContact O-CB 3.13Å; L122-S126 PolarHBondContact O-N 3.44Å; Q123-S126 WeakPolarHBondContact O-CB 3.39Å; Q123-S126 PolarHBondContact O-N 3.09Å; E124-S126 PolarHBondContact O-N 3.38Å; S126-A129 PolarHBondContact O-N 3.18Å; S126-E130 WeakPolarHBondContact O-CG 3.36Å; S126-E130 PolarHBondContact O-N 2.76Å
127	L	43.4	Very low	38.1	Very low	83 Å²	83	93.3 Å²	93.3	44%	0.435	46%	0.458	S	S	.	.	H	α-helix	trans	-65.9	-38.4	178.7	-156.4	108.5	0	0	0	111.8	Q123 E124 E130 R131	Q123-L127 PolarHBondContact O-N 2.83Å; E124-L127 WeakPolarHBondContact O-CB 3.43Å; E124-L127 PolarHBondContact O-N 3.36Å; L127-E130 PolarHBondContact O-N 2.82Å; L127-R131 WeakPolarHBondContact O-CB 3.49Å; L127-R131 WeakPolarHBondContact O-CG 3.44Å; L127-R131 PolarHBondContact O-N 2.97Å
128	I	40.5	Very low	38.6	Very low	77 Å²	77	94.2 Å²	94.2	40%	0.395	47%	0.47	S	S	.	.	H	α-helix	trans	-65.2	-45	174.7	-68	164.5	0	0	0	110.6	E124 Q125 E130 R131 L132	E124-I128 HydrophobicContact CG-CD1 4.37Å; E124-I128 WeakPolarHBondContact O-CG1 3.42Å; E124-I128 PolarHBondContact O-N 3.32Å; Q125-I128 PolarHBondContact O-N 3.39Å; I128-E130 PolarHBondContact O-N 3.32Å; I128-R131 PolarHBondContact O-N 3.25Å; I128-L132 HydrophobicContact CG2-CD1 4.04Å; I128-L132 WeakPolarHBondContact O-CB 3.43Å; I128-L132 PolarHBondContact O-N 3.28Å
129	A	40.9	Very low	38.7	Very low	21 Å²	21	96.6 Å²	96.6	17%	0.174	48%	0.482	C	S	.	.	H	α-helix	trans	-62.9	-40.2	176.4	0	0	0	0	0	112.3	Q125 S126 L133	Q125-A129 WeakPolarHBondContact O-CB 3.46Å; Q125-A129 PolarHBondContact O-N 2.85Å; S126-A129 PolarHBondContact O-N 3.18Å; A129-L133 WeakPolarHBondContact O-CB 3.35Å; A129-L133 PolarHBondContact O-N 2.94Å
130	E	43.3	Very low	38.7	Very low	104 Å²	104	99.2 Å²	99.2	49%	0.486	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-39	173.9	-77.2	179.2	179.8	0	0	112.8	S126 L127 I128 L133 R134	S126-E130 WeakPolarHBondContact O-CG 3.36Å; S126-E130 PolarHBondContact O-N 2.76Å; L127-E130 PolarHBondContact O-N 2.82Å; I128-E130 PolarHBondContact O-N 3.32Å; E130-L133 PolarHBondContact O-N 3.17Å; E130-R134 WeakPolarHBondContact O-CG 3.24Å; E130-R134 PolarHBondContact O-N 3.07Å
131	R	44.3	Very low	38.6	Very low	155 Å²	155	97.1 Å²	97.1	59%	0.585	49%	0.491	S	S	*	.	H	α-helix	trans	-65.6	-46	174.6	-78.7	178.1	179	-177.7	0.8	111.9	L127 I128 L133 R134 E135	L127-R131 WeakPolarHBondContact O-CB 3.49Å; L127-R131 WeakPolarHBondContact O-CG 3.44Å; L127-R131 PolarHBondContact O-N 2.97Å; I128-R131 PolarHBondContact O-N 3.25Å; R131-L133 VanDerWaalsContact C-N 3.28Å; R131-L133 PolarHBondContact O-N 3.31Å; R131-R134 PolarHBondContact O-N 3.35Å; R131-R134 VanDerWaalsContact O-N 3.14Å; R131-E135 PolarHBondContact O-N 3.45Å
132	L	40.2	Very low	38.4	Very low	58 Å²	58	96.8 Å²	96.8	30%	0.304	50%	0.502	S	S	.	.	H	α-helix	trans	-58.2	-40.6	173.5	-95.1	153.8	0	0	0	111.6	I128 E135 L136 F180	I128-L132 HydrophobicContact CG2-CD1 4.04Å; I128-L132 WeakPolarHBondContact O-CB 3.43Å; I128-L132 PolarHBondContact O-N 3.28Å; L132-E135 PolarHBondContact O-N 3Å; L132-L136 VanDerWaalsContact O-CB 3.23Å; L132-L136 WeakPolarHBondContact O-CB 3.29Å; L132-L136 WeakPolarHBondContact O-CD1 3.11Å; L132-L136 WeakPolarHBondContact O-CG 3.1Å; L132-L136 PolarHBondContact O-N 2.83Å; L132-F180 HydrophobicContact CD1-CZ 4.31Å
133	L	42.2	Very low	38.3	Very low	89 Å²	89	102.5 Å²	102.5	47%	0.466	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-40.5	175.7	-134.3	100.6	0	0	0	112.2	A129 E130 R131 T137	A129-L133 WeakPolarHBondContact O-CB 3.35Å; A129-L133 PolarHBondContact O-N 2.94Å; E130-L133 PolarHBondContact O-N 3.17Å; R131-L133 VanDerWaalsContact C-N 3.28Å; R131-L133 PolarHBondContact O-N 3.31Å; L133-T137 WeakPolarHBondContact O-CB 3.46Å; L133-T137 WeakPolarHBondContact O-CG2 3.11Å; L133-T137 PolarHBondContact O-N 2.77Å; L133-T137 PolarHBondContact O-OG1 3.23Å
134	R	45.1	Very low	37.8	Very low	153 Å²	153	104.8 Å²	104.8	58%	0.577	54%	0.537	S	S	*	.	H	α-helix	trans	-67.2	-40.4	175.4	-78.8	-176.5	-171.1	165.4	6.5	112.5	E130 R131 T137 S138	E130-R134 WeakPolarHBondContact O-CG 3.24Å; E130-R134 PolarHBondContact O-N 3.07Å; R131-R134 PolarHBondContact O-N 3.35Å; R131-R134 VanDerWaalsContact O-N 3.14Å; R134-T137 WeakPolarHBondContact CA-OG1 3.06Å; R134-T137 PolarHBondContact O-N 3.15Å; R134-T137 PolarHBondContact O-OG1 2.78Å; R134-T137 VanDerWaalsContact O-OG1 3.06Å; R134-S138 VanDerWaalsContact O-CB 3.29Å; R134-S138 WeakPolarHBondContact O-CB 3.46Å; R134-S138 PolarHBondContact O-N 2.93Å; R134-S138 PolarHBondContact O-OG 3.45Å
135	E	41.7	Very low	37.5	Very low	128 Å²	128	101.2 Å²	101.2	60%	0.598	53%	0.525	S	S	*	.	H	α-helix	trans	-70.6	-40.7	177.1	-74.8	-175.3	173.2	0	0	112.1	R131 L132 T137 S138 V139	R131-E135 PolarHBondContact O-N 3.45Å; L132-E135 PolarHBondContact O-N 3Å; E135-T137 PolarHBondContact O-N 3.19Å; E135-S138 WeakPolarHBondContact CA-OG 3.49Å; E135-S138 PolarHBondContact O-N 3.21Å; E135-S138 PolarHBondContact O-OG 3.09Å; E135-S138 VanDerWaalsContact O-OG 3.06Å; E135-V139 WeakPolarHBondContact O-CG2 3.45Å
136	L	36.3	Very low	37.3	Very low	59 Å²	59	104.1 Å²	104.1	31%	0.309	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-20	175.3	-74.6	166.3	0	0	0	113.1	L132 L211	L132-L136 VanDerWaalsContact O-CB 3.23Å; L132-L136 WeakPolarHBondContact O-CB 3.29Å; L132-L136 WeakPolarHBondContact O-CD1 3.11Å; L132-L136 WeakPolarHBondContact O-CG 3.1Å; L132-L136 PolarHBondContact O-N 2.83Å; L136-L211 HydrophobicContact CD1-CD2 4.01Å
137	T	38.5	Very low	37.1	Very low	88 Å²	88	108.6 Å²	108.6	54%	0.54	56%	0.563	S	S	.	*	H	α-helix	trans	-100.6	-12.6	176.7	50	0	0	0	0	113.9	L133 R134 E135	L133-T137 WeakPolarHBondContact O-CB 3.46Å; L133-T137 WeakPolarHBondContact O-CG2 3.11Å; L133-T137 PolarHBondContact O-N 2.77Å; L133-T137 PolarHBondContact O-OG1 3.23Å; R134-T137 WeakPolarHBondContact CA-OG1 3.06Å; R134-T137 PolarHBondContact O-N 3.15Å; R134-T137 PolarHBondContact O-OG1 2.78Å; R134-T137 VanDerWaalsContact O-OG1 3.06Å; E135-T137 PolarHBondContact O-N 3.19Å
138	S	37	Very low	36.5	Very low	87 Å²	87	110.8 Å²	110.8	61%	0.608	57%	0.571	S	S	*	*	H	α-helix	trans	-89.3	-14.2	-179.5	69.7	0	0	0	0	114.5	R134 E135 E140	R134-S138 VanDerWaalsContact O-CB 3.29Å; R134-S138 WeakPolarHBondContact O-CB 3.46Å; R134-S138 PolarHBondContact O-N 2.93Å; R134-S138 PolarHBondContact O-OG 3.45Å; E135-S138 WeakPolarHBondContact CA-OG 3.49Å; E135-S138 PolarHBondContact O-N 3.21Å; E135-S138 PolarHBondContact O-OG 3.09Å; E135-S138 VanDerWaalsContact O-OG 3.06Å; S138-E140 PolarHBondContact O-N 3.26Å
139	V	34.5	Very low	36.1	Very low	105 Å²	105	109.6 Å²	109.6	64%	0.636	57%	0.568	S	S	*	*	S	Bend	trans	-81.1	89.2	-179.5	-175	0	0	0	0	111.1	E135 C141	E135-V139 WeakPolarHBondContact O-CG2 3.45Å; V139-C141 PolarHBondContact O-N 2.98Å
140	E	31.5	Very low	35.7	Very low	190 Å²	190	112.1 Å²	112.1	89%	0.888	58%	0.579	S	S	*	*	S	Bend	trans	52.7	30.8	153.5	-62.5	-169	154.3	0	0	119.3	S138	S138-E140 PolarHBondContact O-N 3.26Å
141	C	30.4	Very low	35.2	Very low	102 Å²	102	111 Å²	111	69%	0.689	58%	0.578	S	S	*	*			trans	-111.6	97.5	170.5	-114.6	0	0	0	0	112	V139	V139-C141 PolarHBondContact O-N 2.98Å
142	C	31.9	Very low	34.4	Very low	109 Å²	109	108.7 Å²	108.7	74%	0.736	58%	0.577	S	S	*	*			trans	66.8	110.8	158.2	-54.5	0	0	0	0	117.2	H144	C142-H144 PolarHBondContact O-N 3.19Å
143	Q	30.8	Very low	34	Very low	191 Å²	191	109.6 Å²	109.6	89%	0.893	58%	0.582	S	S	*	*	S	Bend	trans	-58.1	17	169.8	-72	172.9	-38	0	0	115.7
144	H	28	Very low	33.4	Very low	171 Å²	171	109.9 Å²	109.9	79%	0.792	58%	0.583	S	S	*	*	S	Bend	trans	-128.6	90.3	178.7	-75.7	-6.9	0	0	0	108.9	C142	C142-H144 PolarHBondContact O-N 3.19Å
145	S	31.4	Very low	32.6	Very low	46 Å²	46	105.1 Å²	105.1	32%	0.322	57%	0.574	S	S	.	*			trans	146.2	27.6	145	85.5	0	0	0	0	113.8	N147 E148 T149	S145-N147 PolarHBondContact O-N 3.04Å; S145-N147 VanDerWaalsContact O-N 3.08Å; S145-E148 WeakPolarHBondContact CB-OE2 3.45Å; S145-E148 WeakPolarHBondContact O-CA 3.4Å; S145-E148 PolarHBondContact O-N 3.36Å; S145-T149 PolarHBondContact O-N 3.18Å; S145-T149 PolarHBondContact O-OG1 3.39Å
146	L	31.3	Very low	32.1	Very low	133 Å²	133	102.8 Å²	102.8	70%	0.696	57%	0.565	S	S	*	*	H	α-helix	trans	-47.3	-35.8	166.7	-95.1	143.5	0	0	0	111.5	D150	L146-D150 VanDerWaalsContact O-CB 3.29Å; L146-D150 WeakPolarHBondContact O-CB 3.29Å; L146-D150 PolarHBondContact O-N 2.88Å
147	N	35	Very low	31.7	Very low	131 Å²	131	106.2 Å²	106.2	70%	0.701	58%	0.583	S	S	*	*	H	α-helix	trans	-70.9	-25.3	172.6	-70.9	-5.7	0	0	0	114.9	S145 V151	S145-N147 PolarHBondContact O-N 3.04Å; S145-N147 VanDerWaalsContact O-N 3.08Å; N147-V151 VanDerWaalsContact O-CB 3.22Å; N147-V151 WeakPolarHBondContact O-CB 3.35Å; N147-V151 WeakPolarHBondContact O-CG2 3.44Å; N147-V151 PolarHBondContact O-N 2.88Å
148	E	31.8	Very low	31.2	Very low	129 Å²	129	113.1 Å²	113.1	60%	0.603	60%	0.599	S	S	*	*	H	α-helix	trans	-86.8	-27.6	176.1	-59.5	-177.7	156.6	0	0	112.4	S145 V151 L152	S145-E148 WeakPolarHBondContact CB-OE2 3.45Å; S145-E148 WeakPolarHBondContact O-CA 3.4Å; S145-E148 PolarHBondContact O-N 3.36Å; E148-V151 CarbonylContact O-C 3.5Å; E148-V151 PolarHBondContact O-N 3.17Å; E148-L152 WeakPolarHBondContact O-CB 3.27Å; E148-L152 PolarHBondContact O-N 3.28Å
149	T	31.9	Very low	31	Very low	53 Å²	53	114.6 Å²	114.6	33%	0.325	60%	0.6	S	S	.	*	H	α-helix	trans	-77.2	-37.4	172.4	-13.3	0	0	0	0	111.1	S145 V151 L152 I153	S145-T149 PolarHBondContact O-N 3.18Å; S145-T149 PolarHBondContact O-OG1 3.39Å; T149-V151 VanDerWaalsContact C-N 3.3Å; T149-L152 PolarHBondContact O-N 3.42Å; T149-I153 WeakPolarHBondContact O-CB 3.28Å; T149-I153 VanDerWaalsContact O-CG1 3.25Å; T149-I153 WeakPolarHBondContact O-CG1 3.47Å; T149-I153 PolarHBondContact O-N 3.31Å
150	D	32.9	Very low	30.8	Very low	74 Å²	74	114 Å²	114	40%	0.396	60%	0.6	S	S	.	*	H	α-helix	trans	-69.2	-26.2	166.2	-79.2	-33.4	0	0	0	111.9	L146 N154	L146-D150 VanDerWaalsContact O-CB 3.29Å; L146-D150 WeakPolarHBondContact O-CB 3.29Å; L146-D150 PolarHBondContact O-N 2.88Å; D150-N154 WeakPolarHBondContact O-CA 3.45Å; D150-N154 WeakPolarHBondContact O-CB 3.06Å; D150-N154 PolarHBondContact O-N 2.88Å; D150-N154 PolarHBondContact OD1-ND2 2.95Å
151	V	32	Very low	30.7	Very low	79 Å²	79	112.8 Å²	112.8	48%	0.479	60%	0.596	S	S	.	*	H	α-helix	trans	-72.3	-41	166.5	163	0	0	0	0	109.9	N147 E148 T149 I153 S155	N147-V151 VanDerWaalsContact O-CB 3.22Å; N147-V151 WeakPolarHBondContact O-CB 3.35Å; N147-V151 WeakPolarHBondContact O-CG2 3.44Å; N147-V151 PolarHBondContact O-N 2.88Å; E148-V151 CarbonylContact O-C 3.5Å; E148-V151 PolarHBondContact O-N 3.17Å; T149-V151 VanDerWaalsContact C-N 3.3Å; V151-I153 VanDerWaalsContact C-N 3.32Å; V151-I153 PolarHBondContact O-N 2.98Å; V151-S155 VanDerWaalsContact C-OG 3.27Å; V151-S155 WeakPolarHBondContact CG1-OG 3.41Å; V151-S155 WeakPolarHBondContact O-CA 3.35Å; V151-S155 WeakPolarHBondContact O-CB 3.47Å; V151-S155 PolarHBondContact O-N 2.91Å; V151-S155 PolarHBondContact O-OG 2.71Å
152	L	28.2	Very low	30.9	Very low	108 Å²	108	111.5 Å²	111.5	57%	0.565	58%	0.583	S	S	*	*	H	α-helix	trans	-67	-29.3	176.3	-89.6	150.6	0	0	0	114.2	E148 T149 N156	E148-L152 WeakPolarHBondContact O-CB 3.27Å; E148-L152 PolarHBondContact O-N 3.28Å; T149-L152 PolarHBondContact O-N 3.42Å; L152-N156 PolarHBondContact O-ND2 3.26Å
153	I	30.8	Very low	30.9	Very low	77 Å²	77	114.9 Å²	114.9	40%	0.395	59%	0.585	S	S	.	*	H	α-helix	trans	-95.6	-39.9	-179.5	-63	168.7	0	0	0	111.9	T149 V151	T149-I153 WeakPolarHBondContact O-CB 3.28Å; T149-I153 VanDerWaalsContact O-CG1 3.25Å; T149-I153 WeakPolarHBondContact O-CG1 3.47Å; T149-I153 PolarHBondContact O-N 3.31Å; V151-I153 VanDerWaalsContact C-N 3.32Å; V151-I153 PolarHBondContact O-N 2.98Å
154	N	29.7	Very low	30.9	Very low	94 Å²	94	112.6 Å²	112.6	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-103.5	-21.8	-179	-58.1	-48.2	0	0	0	115	D150	D150-N154 WeakPolarHBondContact O-CA 3.45Å; D150-N154 WeakPolarHBondContact O-CB 3.06Å; D150-N154 PolarHBondContact O-N 2.88Å; D150-N154 PolarHBondContact OD1-ND2 2.95Å
155	S	28.1	Very low	31.2	Very low	54 Å²	54	110.3 Å²	110.3	38%	0.378	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-82.1	-15.5	174.6	88.6	0	0	0	0	113.7	V151	V151-S155 VanDerWaalsContact C-OG 3.27Å; V151-S155 WeakPolarHBondContact CG1-OG 3.41Å; V151-S155 WeakPolarHBondContact O-CA 3.35Å; V151-S155 WeakPolarHBondContact O-CB 3.47Å; V151-S155 PolarHBondContact O-N 2.91Å; V151-S155 PolarHBondContact O-OG 2.71Å
156	N	31	Very low	31.3	Very low	79 Å²	79	111.2 Å²	111.2	42%	0.422	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-86.9	-1.2	176.7	-79.3	-34.9	0	0	0	114.7	L152 R158 D159	L152-N156 PolarHBondContact O-ND2 3.26Å; N156-R158 PolarHBondContact O-N 3.42Å; N156-D159 PolarHBondContact O-N 3.21Å
157	L	29.5	Very low	31.6	Very low	130 Å²	130	107.5 Å²	107.5	68%	0.681	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.5	167.5	-81.8	160	0	0	0	112.4
158	R	28.2	Very low	31.6	Very low	233 Å²	233	105.1 Å²	105.1	88%	0.879	54%	0.536	S	S	*	.	S	Bend	trans	-96.5	-11	176.1	-70.7	-174.6	179.7	-178	0.4	114.2	N156	N156-R158 PolarHBondContact O-N 3.42Å
159	D	32	Very low	31.7	Very low	118 Å²	118	101.2 Å²	101.2	63%	0.631	53%	0.526	S	S	*	.			trans	-113.1	35.3	176.1	-97.8	-20.3	0	0	0	112.2	N156 M161 N162	N156-D159 PolarHBondContact O-N 3.21Å; D159-M161 PolarHBondContact O-N 3.42Å; D159-N162 PolarHBondContact O-N 3.21Å
160	C	29.4	Very low	32.1	Very low	92 Å²	92	104.8 Å²	104.8	62%	0.622	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	1.8	175.6	56.3	0	0	0	0	115.1
161	M	31.1	Very low	32.3	Very low	166 Å²	166	105.4 Å²	105.4	82%	0.818	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.3	-177.7	-67.2	-68.3	-79	0	0	114.1	D159 K163	D159-M161 PolarHBondContact O-N 3.42Å; M161-K163 PolarHBondContact O-N 3.5Å
162	N	34.8	Very low	32.6	Very low	75 Å²	75	104.2 Å²	104.2	40%	0.401	53%	0.53	S	S	.	.			trans	-83.2	88.6	-178.6	-158.5	-17.6	0	0	0	111.9	D159 Q164 H165 V166	D159-N162 PolarHBondContact O-N 3.21Å; N162-Q164 PolarHBondContact O-N 2.96Å; N162-H165 PolarHBondContact ND2-ND1 3.25Å; N162-H165 PolarHBondContact O-N 3.03Å; N162-V166 PolarHBondContact O-N 2.75Å
163	K	31.4	Very low	33.1	Very low	179 Å²	179	101.7 Å²	101.7	78%	0.778	52%	0.516	S	S	*	.	H	α-helix	trans	-47.2	-30.1	179.4	-75.8	-176.4	176.8	-179.2	0	113.7	M161 T167	M161-K163 PolarHBondContact O-N 3.5Å; K163-T167 VanDerWaalsContact O-CB 3.31Å; K163-T167 WeakPolarHBondContact O-CB 3.32Å; K163-T167 PolarHBondContact O-N 3.25Å; K163-T167 VanDerWaalsContact O-N 3.1Å; K163-T167 PolarHBondContact O-OG1 3.32Å
164	Q	31.3	Very low	33.5	Very low	144 Å²	144	101.9 Å²	101.9	67%	0.673	52%	0.518	S	S	*	.	H	α-helix	trans	-71.1	-39.9	179	-78.6	-177.7	-13.1	0	0	113.5	N162 T167 I168	N162-Q164 PolarHBondContact O-N 2.96Å; Q164-T167 PolarHBondContact O-N 3.26Å; Q164-I168 WeakPolarHBondContact O-CD1 3.07Å; Q164-I168 VanDerWaalsContact O-CG1 3.23Å; Q164-I168 WeakPolarHBondContact O-CG1 3.05Å; Q164-I168 PolarHBondContact O-N 3.3Å
165	H	33.4	Very low	34	Very low	123 Å²	123	101.6 Å²	101.6	57%	0.569	51%	0.512	S	S	*	.	H	α-helix	trans	-72.3	-39.6	-179.3	-79.8	90.7	0	0	0	111.9	N162 T167 I168 A169	N162-H165 PolarHBondContact ND2-ND1 3.25Å; N162-H165 PolarHBondContact O-N 3.03Å; H165-T167 VanDerWaalsContact C-N 3.29Å; H165-T167 PolarHBondContact O-N 3.41Å; H165-I168 PolarHBondContact O-N 2.84Å; H165-A169 WeakPolarHBondContact O-CB 3.25Å; H165-A169 PolarHBondContact O-N 3.41Å
166	V	34.2	Very low	34.4	Very low	65 Å²	65	100.7 Å²	100.7	39%	0.394	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-37.8	171.7	177.2	0	0	0	0	110.9	N162 K170	N162-V166 PolarHBondContact O-N 2.75Å; V166-K170 HydrophobicContact CG1-CD 4.06Å; V166-K170 VanDerWaalsContact O-CB 3.29Å; V166-K170 WeakPolarHBondContact O-CB 3.26Å; V166-K170 WeakPolarHBondContact O-CG 3.24Å; V166-K170 PolarHBondContact O-N 3.24Å
167	T	36.3	Very low	34.6	Very low	54 Å²	54	98.8 Å²	98.8	33%	0.331	49%	0.491	S	S	.	.	H	α-helix	trans	-68.6	-40.4	176.7	-57.5	0	0	0	0	111.8	K163 Q164 H165 K170 I171	K163-T167 VanDerWaalsContact O-CB 3.31Å; K163-T167 WeakPolarHBondContact O-CB 3.32Å; K163-T167 PolarHBondContact O-N 3.25Å; K163-T167 VanDerWaalsContact O-N 3.1Å; K163-T167 PolarHBondContact O-OG1 3.32Å; Q164-T167 PolarHBondContact O-N 3.26Å; H165-T167 VanDerWaalsContact C-N 3.29Å; H165-T167 PolarHBondContact O-N 3.41Å; T167-K170 PolarHBondContact O-N 2.73Å; T167-I171 HydrophobicContact CG2-CD1 3.88Å; T167-I171 HydrophobicContact CG2-CG1 4.46Å; T167-I171 WeakPolarHBondContact O-CB 3.45Å; T167-I171 WeakPolarHBondContact O-CD1 3.2Å; T167-I171 WeakPolarHBondContact O-CG1 3.23Å; T167-I171 PolarHBondContact O-N 2.93Å
168	I	35.2	Very low	34.8	Very low	81 Å²	81	95.8 Å²	95.8	42%	0.415	47%	0.474	S	S	.	.	H	α-helix	trans	-68.1	-43.1	178	-69.8	163.1	0	0	0	111	Q164 H165 K170 I171 I172	Q164-I168 WeakPolarHBondContact O-CD1 3.07Å; Q164-I168 VanDerWaalsContact O-CG1 3.23Å; Q164-I168 WeakPolarHBondContact O-CG1 3.05Å; Q164-I168 PolarHBondContact O-N 3.3Å; H165-I168 PolarHBondContact O-N 2.84Å; I168-K170 VanDerWaalsContact C-N 3.35Å; I168-I171 PolarHBondContact O-N 3.35Å; I168-I172 HydrophobicContact CG2-CD1 3.84Å; I168-I172 VanDerWaalsContact O-CG1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.47Å; I168-I172 PolarHBondContact O-N 3.22Å
169	A	35.3	Very low	35	Very low	47 Å²	47	89.8 Å²	89.8	39%	0.388	45%	0.454	S	S	.	.	H	α-helix	trans	-61.4	-43	172.8	0	0	0	0	0	111.4	H165 I171 I172 I173	H165-A169 WeakPolarHBondContact O-CB 3.25Å; H165-A169 PolarHBondContact O-N 3.41Å; A169-I171 PolarHBondContact O-N 3.17Å; A169-I172 PolarHBondContact O-N 2.76Å; A169-I173 VanDerWaalsContact O-CB 3.31Å; A169-I173 WeakPolarHBondContact O-CB 3.27Å; A169-I173 WeakPolarHBondContact O-CD1 3.48Å; A169-I173 WeakPolarHBondContact O-CG1 3.36Å; A169-I173 PolarHBondContact O-N 3.45Å
170	K	39	Very low	34.8	Very low	129 Å²	129	89.1 Å²	89.1	56%	0.561	45%	0.446	S	S	*	.	H	α-helix	trans	-61.3	-40.4	173.5	-77	173.9	179.6	-175.7	0	112.6	V166 T167 I168 I173 L174	V166-K170 HydrophobicContact CG1-CD 4.06Å; V166-K170 VanDerWaalsContact O-CB 3.29Å; V166-K170 WeakPolarHBondContact O-CB 3.26Å; V166-K170 WeakPolarHBondContact O-CG 3.24Å; V166-K170 PolarHBondContact O-N 3.24Å; T167-K170 PolarHBondContact O-N 2.73Å; I168-K170 VanDerWaalsContact C-N 3.35Å; K170-I173 PolarHBondContact O-N 3.13Å; K170-L174 VanDerWaalsContact O-CB 3.27Å; K170-L174 WeakPolarHBondContact O-CB 3.35Å; K170-L174 WeakPolarHBondContact O-CD1 3.45Å; K170-L174 PolarHBondContact O-N 3.2Å
171	I	38.1	Very low	34.7	Very low	86 Å²	86	86.9 Å²	86.9	44%	0.441	43%	0.432	S	S	.	.	H	α-helix	trans	-67	-42.6	176.9	-71.8	164.3	0	0	0	111	T167 I168 A169 L174 F175	T167-I171 HydrophobicContact CG2-CD1 3.88Å; T167-I171 HydrophobicContact CG2-CG1 4.46Å; T167-I171 WeakPolarHBondContact O-CB 3.45Å; T167-I171 WeakPolarHBondContact O-CD1 3.2Å; T167-I171 WeakPolarHBondContact O-CG1 3.23Å; T167-I171 PolarHBondContact O-N 2.93Å; I168-I171 PolarHBondContact O-N 3.35Å; A169-I171 PolarHBondContact O-N 3.17Å; I171-L174 PolarHBondContact O-N 3.12Å; I171-F175 WeakPolarHBondContact O-CB 3.4Å; I171-F175 PolarHBondContact O-N 3.44Å
172	I	38.4	Very low	34.3	Very low	55 Å²	55	87.4 Å²	87.4	28%	0.282	44%	0.438	S	S	.	.	H	α-helix	trans	-66.8	-40.6	176.6	-68	167.2	0	0	0	110.4	I168 A169 F175 L176 M208	I168-I172 HydrophobicContact CG2-CD1 3.84Å; I168-I172 VanDerWaalsContact O-CG1 3.31Å; I168-I172 WeakPolarHBondContact O-CG1 3.47Å; I168-I172 PolarHBondContact O-N 3.22Å; A169-I172 PolarHBondContact O-N 2.76Å; I172-F175 PolarHBondContact O-N 3.07Å; I172-L176 HydrophobicContact CG2-CD1 3.82Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CB 3.45Å; I172-L176 WeakPolarHBondContact O-CD1 3.27Å; I172-L176 WeakPolarHBondContact O-CG 3.28Å; I172-L176 PolarHBondContact O-N 3.42Å; I172-M208 HydrophobicContact CD1-CE 3.71Å
173	I	38.9	Very low	33.9	Very low	54 Å²	54	88.3 Å²	88.3	28%	0.277	45%	0.45	S	S	.	.	H	α-helix	trans	-66.2	-37.5	173.8	-70.1	166.2	0	0	0	111.1	A169 K170 K177	A169-I173 VanDerWaalsContact O-CB 3.31Å; A169-I173 WeakPolarHBondContact O-CB 3.27Å; A169-I173 WeakPolarHBondContact O-CD1 3.48Å; A169-I173 WeakPolarHBondContact O-CG1 3.36Å; A169-I173 PolarHBondContact O-N 3.45Å; K170-I173 PolarHBondContact O-N 3.13Å; I173-K177 HydrophobicContact CG2-CD 3.85Å; I173-K177 HydrophobicContact CG2-CG 4.4Å; I173-K177 WeakPolarHBondContact O-CB 3.4Å; I173-K177 WeakPolarHBondContact O-CD 3.37Å; I173-K177 WeakPolarHBondContact O-CG 3.02Å; I173-K177 PolarHBondContact O-N 3.35Å
174	L	38.5	Very low	33.6	Very low	81 Å²	81	81.3 Å²	81.3	42%	0.424	42%	0.421	S	S	.	.	H	α-helix	trans	-65.5	-41.7	172.5	-104	138.6	0	0	0	111.7	L114 K170 I171 K177 M178	L114-L174 HydrophobicContact CD1-CD2 4.42Å; K170-L174 VanDerWaalsContact O-CB 3.27Å; K170-L174 WeakPolarHBondContact O-CB 3.35Å; K170-L174 WeakPolarHBondContact O-CD1 3.45Å; K170-L174 PolarHBondContact O-N 3.2Å; I171-L174 PolarHBondContact O-N 3.12Å; L174-K177 PolarHBondContact O-N 2.96Å; L174-M178 WeakPolarHBondContact O-CG 3.48Å; L174-M178 PolarHBondContact O-N 3.35Å
175	F	39.5	Very low	33.5	Very low	89 Å²	89	79 Å²	79	39%	0.39	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-47.6	175.3	-119.3	-92	0	0	0	111.1	I171 I172 K177 M178 F179	I171-F175 WeakPolarHBondContact O-CB 3.4Å; I171-F175 PolarHBondContact O-N 3.44Å; I172-F175 PolarHBondContact O-N 3.07Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 3.3Å; F175-M178 PolarHBondContact O-N 2.93Å; F175-F179 HydrophobicContact CD1-CD2 4.16Å; F175-F179 AromaticContact CD1-CE2 3.95Å; F175-F179 HydrophobicContact CD1-CE2 3.95Å; F175-F179 HydrophobicContact CE1-CE2 4.13Å; F175-F179 WeakPolarHBondContact O-CD2 3.36Å; F175-F179 PolarHBondContact O-N 3.37Å
176	L	36.5	Very low	33.3	Very low	35 Å²	35	74.6 Å²	74.6	18%	0.183	40%	0.401	C	S	.	.	H	α-helix	trans	-59.5	-42.1	173.6	-69.3	165.3	0	0	0	110.1	I172 M178 F179 F180 L215	I172-L176 HydrophobicContact CG2-CD1 3.82Å; I172-L176 HydrophobicContact CG2-CG 4.35Å; I172-L176 WeakPolarHBondContact O-CB 3.45Å; I172-L176 WeakPolarHBondContact O-CD1 3.27Å; I172-L176 WeakPolarHBondContact O-CG 3.28Å; I172-L176 PolarHBondContact O-N 3.42Å; L176-M178 PolarHBondContact O-N 3.01Å; L176-F179 CarbonylContact O-C 3.46Å; L176-F179 PolarHBondContact O-N 3.39Å; L176-F180 HydrophobicContact CB-CD2 4.1Å; L176-F180 HydrophobicContact CB-CE2 4.1Å; L176-F180 HydrophobicContact CD2-CE2 3.92Å; L176-F180 WeakPolarHBondContact O-CB 3.5Å; L176-F180 WeakPolarHBondContact O-CD2 3.01Å; L176-F180 WeakPolarHBondContact O-CG 3.31Å; L176-F180 PolarHBondContact O-N 3.12Å; L176-L215 HydrophobicContact CD2-CD1 4.25Å
177	K	36.2	Very low	33.3	Very low	39 Å²	39	73.4 Å²	73.4	17%	0.17	39%	0.394	C	S	.	.	H	α-helix	trans	-67.7	-30.9	177.3	-78.9	173.3	178.8	179.6	0	114.6	I173 L174 F175 S181	I173-K177 HydrophobicContact CG2-CD 3.85Å; I173-K177 HydrophobicContact CG2-CG 4.4Å; I173-K177 WeakPolarHBondContact O-CB 3.4Å; I173-K177 WeakPolarHBondContact O-CD 3.37Å; I173-K177 WeakPolarHBondContact O-CG 3.02Å; I173-K177 PolarHBondContact O-N 3.35Å; L174-K177 PolarHBondContact O-N 2.96Å; F175-K177 VanDerWaalsContact C-N 3.29Å; F175-K177 PolarHBondContact O-N 3.3Å; K177-S181 PolarHBondContact O-N 2.87Å
178	M	34.3	Very low	33.3	Very low	67 Å²	67	73 Å²	73	33%	0.33	39%	0.391	S	S	.	.	H	α-helix	trans	-69.3	-38.6	170.3	-76	174.1	47.1	0	0	111.2	L174 F175 L176	L174-M178 WeakPolarHBondContact O-CG 3.48Å; L174-M178 PolarHBondContact O-N 3.35Å; F175-M178 PolarHBondContact O-N 2.93Å; L176-M178 PolarHBondContact O-N 3.01Å
179	F	31	Very low	33.3	Very low	106 Å²	106	73.4 Å²	73.4	47%	0.465	39%	0.388	S	S	.	.	H	α-helix	trans	-73.3	-22.9	175.5	-93.3	-86.7	0	0	0	114.1	F175 L176 V219	F175-F179 HydrophobicContact CD1-CD2 4.16Å; F175-F179 AromaticContact CD1-CE2 3.95Å; F175-F179 HydrophobicContact CD1-CE2 3.95Å; F175-F179 HydrophobicContact CE1-CE2 4.13Å; F175-F179 WeakPolarHBondContact O-CD2 3.36Å; F175-F179 PolarHBondContact O-N 3.37Å; L176-F179 CarbonylContact O-C 3.46Å; L176-F179 PolarHBondContact O-N 3.39Å; F179-V219 HydrophobicContact CD1-CG1 4.18Å; F179-V219 HydrophobicContact CD1-CG2 4.17Å; F179-V219 HydrophobicContact CE1-CG1 4.23Å; F179-V219 HydrophobicContact CE1-CG2 4.48Å
180	F	28.1	Very low	33.2	Very low	104 Å²	104	71.1 Å²	71.1	46%	0.456	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.4	-177.6	-70.6	-61.6	0	0	0	114.3	L132 L176	L132-F180 HydrophobicContact CD1-CZ 4.31Å; L176-F180 HydrophobicContact CB-CD2 4.1Å; L176-F180 HydrophobicContact CB-CE2 4.1Å; L176-F180 HydrophobicContact CD2-CE2 3.92Å; L176-F180 WeakPolarHBondContact O-CB 3.5Å; L176-F180 WeakPolarHBondContact O-CD2 3.01Å; L176-F180 WeakPolarHBondContact O-CG 3.31Å; L176-F180 PolarHBondContact O-N 3.12Å
181	S	26.9	Very low	32.9	Very low	46 Å²	46	67.6 Å²	67.6	32%	0.322	36%	0.355	S	S	.	.	S	Bend	trans	-98.7	123.7	164	67.5	0	0	0	0	108.7	K177 S183	K177-S181 PolarHBondContact O-N 2.87Å; S181-S183 PolarHBondContact O-N 2.75Å
182	D	24.2	Very low	32.7	Very low	177 Å²	177	65.1 Å²	65.1	95%	0.947	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	22.1	-171.2	-63.7	-43.5	0	0	0	116.5
183	S	24.6	Very low	32.6	Very low	94 Å²	94	63.6 Å²	63.6	66%	0.657	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.7	8	-170.3	61	0	0	0	0	118.5	S181	S181-S183 PolarHBondContact O-N 2.75Å
184	L	26	Very low	32	Very low	32 Å²	32	67.6 Å²	67.6	17%	0.168	36%	0.357	C	S	.	.			trans	-141.3	75.4	-172.6	-74.2	168	0	0	0	114.6	L113	L113-L184 HydrophobicContact CD1-CD1 4.35Å
185	D	28.7	Very low	31.4	Very low	96 Å²	96	72.6 Å²	72.6	51%	0.513	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.7	152.8	-81.5	-35.4	0	0	0	108.3	L85 T86	L85-D185 CarbonylContact C-O 3.54Å; L85-D185 WeakPolarHBondContact CA-O 3.32Å; L85-D185 HydrophobicContact CD2-CB 3.68Å; L85-D185 HydrophobicContact CG-CB 4.29Å; T86-D185 PolarHBondContact N-O 3.01Å
186	G	29	Very low	30.8	Very low	29 Å²	29	72.1 Å²	72.1	30%	0.299	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	151.4	-179.3	0	0	0	0	0	116.9	T86	T86-G186 CarbonylContact O-C 3.41Å; T86-G186 WeakPolarHBondContact O-CA 3.22Å
187	V	34.2	Very low	30.5	Very low	41 Å²	41	72.8 Å²	72.8	25%	0.248	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.3	-173.1	-174.9	0	0	0	0	110.6	L85 T86 V87 V88 Y189	L85-V187 HydrophobicContact CD2-CG2 4.19Å; T86-V187 PolarHBondContact O-N 3.34Å; V87-V187 WeakPolarHBondContact CA-O 3.39Å; V88-V187 PolarHBondContact N-O 2.84Å; V187-Y189 HydrophobicContact CB-CD2 4.36Å; V187-Y189 HydrophobicContact CB-CE2 3.78Å; V187-Y189 HydrophobicContact CG1-CD2 3.86Å; V187-Y189 HydrophobicContact CG1-CE1 4.41Å; V187-Y189 HydrophobicContact CG1-CE2 3.31Å
188	V	36.4	Very low	30.3	Very low	45 Å²	45	73.5 Å²	73.5	27%	0.273	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.7	177.5	-174	0	0	0	0	110.3	V88 I90 L106 V190	V88-V188 HydrophobicContact CB-CG2 4.45Å; V88-V188 CarbonylContact O-C 3.57Å; V88-V188 WeakPolarHBondContact O-CA 3.49Å; I90-V188 HydrophobicContact CD1-CG1 4.34Å; L106-V188 HydrophobicContact CD2-CG1 4.48Å; L106-V188 HydrophobicContact CD2-CG2 3.74Å; V188-V190 HydrophobicContact CG1-CG2 4.47Å
189	Y	35.5	Very low	30.2	Very low	89 Å²	89	74.7 Å²	74.7	35%	0.349	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.1	174	-68.2	-88.7	0	0	0	110.2	V87 V88 L89 I90 V187 T196	V87-Y189 HydrophobicContact CG1-CD2 3.54Å; V87-Y189 HydrophobicContact CG1-CE2 3.69Å; V88-Y189 PolarHBondContact O-N 3.39Å; L89-Y189 CarbonylContact C-O 3.38Å; L89-Y189 WeakPolarHBondContact CA-O 3.32Å; L89-Y189 VanDerWaalsContact CD1-CB 3.48Å; L89-Y189 HydrophobicContact CD1-CG 4.45Å; I90-Y189 PolarHBondContact N-O 3.01Å; V187-Y189 HydrophobicContact CB-CD2 4.36Å; V187-Y189 HydrophobicContact CB-CE2 3.78Å; V187-Y189 HydrophobicContact CG1-CD2 3.86Å; V187-Y189 HydrophobicContact CG1-CE1 4.41Å; V187-Y189 HydrophobicContact CG1-CE2 3.31Å; Y189-T196 HydrophobicContact CD1-CG2 4.41Å
190	V	34.3	Very low	30.2	Very low	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	107.9	173.6	-176.4	0	0	0	0	109.4	I90 I97 V102 V188 Q192 N197 Y199	I90-V190 HydrophobicContact CB-CG2 4.29Å; I90-V190 HydrophobicContact CD1-CG2 4.27Å; I90-V190 CarbonylContact O-C 3.5Å; I90-V190 WeakPolarHBondContact O-CA 3.47Å; I97-V190 HydrophobicContact CB-CG1 4Å; I97-V190 HydrophobicContact CD1-CG1 3.59Å; I97-V190 HydrophobicContact CG1-CG1 4.38Å; I97-V190 HydrophobicContact CG2-CG1 4.19Å; V102-V190 HydrophobicContact CG2-CG2 4.06Å; V188-V190 HydrophobicContact CG1-CG2 4.47Å; V190-Q192 HydrophobicContact CG1-CG 4.32Å; V190-N197 PolarHBondContact N-O 3.01Å; V190-N197 PolarHBondContact O-N 2.78Å; V190-Y199 HydrophobicContact CB-CD2 4.14Å; V190-Y199 HydrophobicContact CB-CE2 3.89Å; V190-Y199 HydrophobicContact CG1-CE2 4.09Å; V190-Y199 HydrophobicContact CG2-CD2 3.63Å; V190-Y199 HydrophobicContact CG2-CE2 3.67Å
191	E	32.4	Very low	30.2	Very low	55 Å²	55	68.7 Å²	68.7	26%	0.257	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.2	179.6	-164.4	174	-171.3	0	0	110.5	L89 I90 R91 G92 R195 T196	L89-E191 HydrophobicContact CD1-CB 4.25Å; I90-E191 PolarHBondContact O-N 3.15Å; R91-E191 CarbonylContact C-O 3.57Å; R91-E191 VanDerWaalsContact CA-O 3.25Å; R91-E191 WeakPolarHBondContact CA-O 3.42Å; R91-E191 HydrophobicContact CB-CB 4.2Å; R91-E191 WeakPolarHBondContact CD-OE2 3.3Å; R91-E191 HydrophobicContact CG-CB 3.96Å; R91-E191 WeakPolarHBondContact CG-OE2 3.3Å; R91-E191 IonicContact NE-OE2 3.51Å; R91-E191 PolarHBondContact NE-OE2 3.42Å; G92-E191 PolarHBondContact N-O 3.2Å; E191-R195 CarbonylContact C-O 3.55Å; E191-R195 WeakPolarHBondContact CA-O 3.41Å; E191-T196 HydrophobicContact CB-CG2 4.5Å
192	Q	33	Very low	30.1	Very low	33 Å²	33	76.3 Å²	76.3	15%	0.154	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	100.5	175.1	-67.5	177.5	8.6	0	0	108.6	I97 V190 H194 R195 N197	I97-Q192 HydrophobicContact CB-CG 4.32Å; I97-Q192 HydrophobicContact CD1-CG 3.85Å; I97-Q192 HydrophobicContact CG1-CG 3.97Å; I97-Q192 PolarHBondContact O-NE2 2.89Å; V190-Q192 HydrophobicContact CG1-CG 4.32Å; Q192-H194 PolarHBondContact O-N 2.61Å; Q192-H194 VanDerWaalsContact O-N 3.08Å; Q192-R195 PolarHBondContact N-O 3.22Å; Q192-R195 PolarHBondContact O-N 2.77Å; Q192-N197 PolarHBondContact OE1-ND2 3.17Å
193	G	36.2	Very low	30.3	Very low	24 Å²	24	77.2 Å²	77.2	25%	0.247	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-110.7	-169.6	0	0	0	0	0	111.2	G92	G92-G193 PolarHBondContact O-N 2.95Å
194	H	27.6	Very low	30.7	Very low	137 Å²	137	76.4 Å²	76.4	63%	0.634	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	16.5	177.5	-59.2	-57.3	0	0	0	114.4	Q192 R469	Q192-H194 PolarHBondContact O-N 2.61Å; Q192-H194 VanDerWaalsContact O-N 3.08Å; H194-R469 PolarHBondContact O-NH1 3.37Å
195	R	25.3	Very low	31	Very low	187 Å²	187	77.6 Å²	77.6	71%	0.706	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.1	-179.3	-66.1	-175.6	177.7	-175.3	-0.1	110.1	E191 Q192	E191-R195 CarbonylContact C-O 3.55Å; E191-R195 WeakPolarHBondContact CA-O 3.41Å; Q192-R195 PolarHBondContact N-O 3.22Å; Q192-R195 PolarHBondContact O-N 2.77Å
196	T	26.7	Very low	31.1	Very low	78 Å²	78	77.3 Å²	77.3	48%	0.479	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.2	163.7	18.5	0	0	0	0	108.7	Y189 E191	Y189-T196 HydrophobicContact CD1-CG2 4.41Å; E191-T196 HydrophobicContact CB-CG2 4.5Å
197	N	30.1	Very low	31.4	Very low	49 Å²	49	84.8 Å²	84.8	26%	0.262	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.1	173	-66.4	-37	0	0	0	108.8	V190 Q192	V190-N197 PolarHBondContact N-O 3.01Å; V190-N197 PolarHBondContact O-N 2.78Å; Q192-N197 PolarHBondContact OE1-ND2 3.17Å
198	L	31.5	Very low	31.5	Very low	55 Å²	55	85.9 Å²	85.9	29%	0.288	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.7	169.1	-173.2	87.9	0	0	0	108.4	C200 A231	L198-C200 WeakPolarHBondContact CD2-SG 3.32Å; L198-C200 PolarHBondContact O-N 3.37Å; L198-A231 WeakPolarHBondContact CD2-O 3.03Å
199	Y	32.8	Very low	31.6	Very low	92 Å²	92	85 Å²	85	36%	0.361	41%	0.408	S	S	.	.			trans	-80.5	82.5	178.2	-85.4	-82.5	0	0	0	111.4	I97 M99 V102 V190	I97-Y199 PolarHBondContact O-OH 3.48Å; M99-Y199 HydrophobicContact CG-CE1 4.07Å; M99-Y199 HydrophobicContact SD-CD1 3.45Å; M99-Y199 WeakPolarHBondContact SD-CD1 3.49Å; M99-Y199 HydrophobicContact SD-CE1 3.28Å; M99-Y199 WeakPolarHBondContact SD-CE1 3.47Å; M99-Y199 HydrophobicContact SD-CG 4.16Å; V102-Y199 HydrophobicContact CG2-CE2 4.29Å; V190-Y199 HydrophobicContact CB-CD2 4.14Å; V190-Y199 HydrophobicContact CB-CE2 3.89Å; V190-Y199 HydrophobicContact CG1-CE2 4.09Å; V190-Y199 HydrophobicContact CG2-CD2 3.63Å; V190-Y199 HydrophobicContact CG2-CE2 3.67Å
200	C	31.2	Very low	31.7	Very low	37 Å²	37	86 Å²	86	25%	0.25	42%	0.415	C	S	.	.			trans	-84.3	134.6	166	-69.9	0	0	0	0	110.8	L198 R202	L198-C200 WeakPolarHBondContact CD2-SG 3.32Å; L198-C200 PolarHBondContact O-N 3.37Å; C200-R202 PolarHBondContact O-N 3.13Å
201	G	27.2	Very low	31.9	Very low	47 Å²	47	88.8 Å²	88.8	49%	0.485	43%	0.429	S	S	.	.			trans	-51.1	125.4	171.1	0	0	0	0	0	111.9	K203 W204	G201-K203 PolarHBondContact O-N 2.74Å; G201-W204 PolarHBondContact O-NE1 3.19Å
202	R	26.4	Very low	32.3	Very low	205 Å²	205	88 Å²	88	77%	0.774	43%	0.426	S	S	*	.	S	Bend	trans	-61.6	-0.1	-169.7	-77.1	177	165.5	-175.2	-12.4	117	C200	C200-R202 PolarHBondContact O-N 3.13Å
203	K	27.8	Very low	32.5	Very low	196 Å²	196	88.3 Å²	88.3	85%	0.852	43%	0.431	S	S	*	.			trans	-156	69.3	-176.8	-71.6	-172.5	178	177.1	0	111.4	G201 S205	G201-K203 PolarHBondContact O-N 2.74Å; K203-S205 PolarHBondContact O-N 3.06Å
204	W	32.2	Very low	32.6	Very low	78 Å²	78	91.9 Å²	91.9	30%	0.295	44%	0.44	S	S	.	.			trans	-72.7	113.6	164.4	-66	88.4	0	0	0	108.3	G201 M208 L209 L212	G201-W204 PolarHBondContact O-NE1 3.19Å; W204-M208 HydrophobicContact CE3-CB 3.64Å; W204-M208 HydrophobicContact CE3-SD 4.48Å; W204-M208 HydrophobicContact CZ3-CB 4.2Å; W204-L209 HydrophobicContact CB-CD1 3.77Å; W204-L209 HydrophobicContact CB-CG 3.88Å; W204-L212 HydrophobicContact CD2-CD1 4.18Å; W204-L212 HydrophobicContact CE3-CD1 3.46Å; W204-L212 VanDerWaalsContact CE3-CD1 3.46Å; W204-L212 HydrophobicContact CE3-CG 4.36Å; W204-L212 HydrophobicContact CH2-CD1 3.66Å; W204-L212 HydrophobicContact CH2-CD2 4.43Å; W204-L212 HydrophobicContact CH2-CG 4.33Å; W204-L212 HydrophobicContact CZ2-CD1 4.29Å; W204-L212 HydrophobicContact CZ3-CD1 3.2Å; W204-L212 HydrophobicContact CZ3-CD2 4.33Å; W204-L212 HydrophobicContact CZ3-CG 3.79Å
205	S	31.7	Very low	33.1	Very low	57 Å²	57	87.2 Å²	87.2	40%	0.399	42%	0.419	S	S	.	.			trans	-66.1	152.1	168.5	68.7	0	0	0	0	109.3	K203 R207 M208 L209	K203-S205 PolarHBondContact O-N 3.06Å; S205-R207 PolarHBondContact O-N 3.42Å; S205-M208 PolarHBondContact O-N 3.47Å; S205-M208 WeakPolarHBondContact OG-CG 3.37Å; S205-M208 PolarHBondContact OG-N 3.28Å; S205-L209 PolarHBondContact O-N 3.44Å; S205-L209 VanDerWaalsContact O-N 3.12Å
206	S	32.6	Very low	33.6	Very low	90 Å²	90	80 Å²	80	63%	0.629	40%	0.397	S	S	*	.	H	α-helix	trans	-52.5	-29.4	175.8	49.6	0	0	0	0	112.8	F210	S206-F210 VanDerWaalsContact O-CB 3.25Å; S206-F210 WeakPolarHBondContact O-CB 3.33Å; S206-F210 PolarHBondContact O-N 3.08Å
207	R	34.5	Very low	33.9	Very low	186 Å²	186	79.5 Å²	79.5	70%	0.702	40%	0.396	S	S	*	.	H	α-helix	trans	-69.2	-37.8	172.9	-69.9	179.8	175.1	172.2	-3.6	113.5	S205 F210 L211	S205-R207 PolarHBondContact O-N 3.42Å; R207-F210 PolarHBondContact O-N 3.47Å; R207-L211 WeakPolarHBondContact O-CB 3.23Å; R207-L211 PolarHBondContact O-N 3.41Å
208	M	37	Very low	33.9	Very low	63 Å²	63	83.1 Å²	83.1	31%	0.31	42%	0.415	S	S	.	.	H	α-helix	trans	-73.7	-37.1	178.1	-72.4	172.8	156.9	0	0	112.3	I172 W204 S205 L211 L212	I172-M208 HydrophobicContact CD1-CE 3.71Å; W204-M208 HydrophobicContact CE3-CB 3.64Å; W204-M208 HydrophobicContact CE3-SD 4.48Å; W204-M208 HydrophobicContact CZ3-CB 4.2Å; S205-M208 PolarHBondContact O-N 3.47Å; S205-M208 WeakPolarHBondContact OG-CG 3.37Å; S205-M208 PolarHBondContact OG-N 3.28Å; M208-L211 PolarHBondContact O-N 2.95Å; M208-L212 WeakPolarHBondContact O-CG 3.13Å; M208-L212 PolarHBondContact O-N 3.39Å
209	L	37.7	Very low	33.8	Very low	26 Å²	26	84.3 Å²	84.3	14%	0.136	42%	0.424	C	S	.	.	H	α-helix	trans	-68.4	-38	171.1	-80.4	148	0	0	0	111.7	W204 S205 L211 L212 V213 Y250	W204-L209 HydrophobicContact CB-CD1 3.77Å; W204-L209 HydrophobicContact CB-CG 3.88Å; S205-L209 PolarHBondContact O-N 3.44Å; S205-L209 VanDerWaalsContact O-N 3.12Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.94Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-V213 WeakPolarHBondContact O-CB 3.43Å; L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 3.1Å; L209-Y250 WeakPolarHBondContact CB-OH 3.41Å; L209-Y250 HydrophobicContact CD1-CE1 4.34Å; L209-Y250 HydrophobicContact CD2-CE1 4.42Å
210	F	38.4	Very low	33.7	Very low	111 Å²	111	83.4 Å²	83.4	49%	0.487	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-39.2	171.6	178.8	-97	0	0	0	112.1	S206 R207 V213 K214	S206-F210 VanDerWaalsContact O-CB 3.25Å; S206-F210 WeakPolarHBondContact O-CB 3.33Å; S206-F210 PolarHBondContact O-N 3.08Å; R207-F210 PolarHBondContact O-N 3.47Å; F210-V213 PolarHBondContact O-N 2.87Å; F210-K214 HydrophobicContact CE1-CD 4.22Å; F210-K214 HydrophobicContact CE1-CG 4.33Å; F210-K214 HydrophobicContact CZ-CG 4.44Å; F210-K214 WeakPolarHBondContact O-CB 3.3Å; F210-K214 PolarHBondContact O-N 3.48Å
211	L	38.7	Very low	33.7	Very low	59 Å²	59	89.8 Å²	89.8	31%	0.309	46%	0.457	S	S	.	.	H	α-helix	trans	-65.6	-43.1	173.3	-109.2	130.2	0	0	0	112.2	L136 R207 M208 L209 V213 K214 L215	L136-L211 HydrophobicContact CD1-CD2 4.01Å; R207-L211 WeakPolarHBondContact O-CB 3.23Å; R207-L211 PolarHBondContact O-N 3.41Å; M208-L211 PolarHBondContact O-N 2.95Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 2.94Å; L211-V213 VanDerWaalsContact C-N 3.34Å; L211-V213 PolarHBondContact O-N 3.22Å; L211-K214 PolarHBondContact O-N 3.34Å; L211-L215 HydrophobicContact CD2-CD1 4.36Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.2Å; L211-L215 WeakPolarHBondContact O-CD1 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 3.24Å
212	L	39.6	Very low	33.8	Very low	37 Å²	37	96.4 Å²	96.4	19%	0.194	48%	0.475	C	S	.	.	H	α-helix	trans	-59.9	-42.8	173.3	-81.8	169.7	0	0	0	112	W204 M208 L209 L215 S216 F232	W204-L212 HydrophobicContact CD2-CD1 4.18Å; W204-L212 HydrophobicContact CE3-CD1 3.46Å; W204-L212 VanDerWaalsContact CE3-CD1 3.46Å; W204-L212 HydrophobicContact CE3-CG 4.36Å; W204-L212 HydrophobicContact CH2-CD1 3.66Å; W204-L212 HydrophobicContact CH2-CD2 4.43Å; W204-L212 HydrophobicContact CH2-CG 4.33Å; W204-L212 HydrophobicContact CZ2-CD1 4.29Å; W204-L212 HydrophobicContact CZ3-CD1 3.2Å; W204-L212 HydrophobicContact CZ3-CD2 4.33Å; W204-L212 HydrophobicContact CZ3-CG 3.79Å; M208-L212 WeakPolarHBondContact O-CG 3.13Å; M208-L212 PolarHBondContact O-N 3.39Å; L209-L212 PolarHBondContact O-N 2.84Å; L212-L215 PolarHBondContact O-N 3.34Å; L212-S216 WeakPolarHBondContact O-CB 3.32Å; L212-S216 PolarHBondContact O-N 2.78Å; L212-S216 PolarHBondContact O-OG 2.73Å; L212-F232 HydrophobicContact CD1-CD1 4.36Å; L212-F232 HydrophobicContact CD1-CE1 4.28Å
213	V	38.3	Very low	34	Very low	41 Å²	41	89.3 Å²	89.3	25%	0.248	46%	0.457	C	S	.	.	H	α-helix	trans	-66.2	-39.8	176.1	170.8	0	0	0	0	111.3	L209 F210 L211 S216 C217	L209-V213 WeakPolarHBondContact O-CB 3.43Å; L209-V213 VanDerWaalsContact O-CG2 3.27Å; L209-V213 WeakPolarHBondContact O-CG2 3.47Å; L209-V213 PolarHBondContact O-N 3.1Å; F210-V213 PolarHBondContact O-N 2.87Å; L211-V213 VanDerWaalsContact C-N 3.34Å; L211-V213 PolarHBondContact O-N 3.22Å; V213-S216 WeakPolarHBondContact CA-OG 3.41Å; V213-S216 PolarHBondContact O-OG 3.35Å; V213-C217 PolarHBondContact O-N 2.95Å; V213-C217 PolarHBondContact O-SG 3.36Å
214	K	38.5	Very low	34.1	Very low	99 Å²	99	82.3 Å²	82.3	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-66.6	-39.1	173.5	-100.6	-151.4	171.8	-167.5	0	112.5	F210 L211 C217	F210-K214 HydrophobicContact CE1-CD 4.22Å; F210-K214 HydrophobicContact CE1-CG 4.33Å; F210-K214 HydrophobicContact CZ-CG 4.44Å; F210-K214 WeakPolarHBondContact O-CB 3.3Å; F210-K214 PolarHBondContact O-N 3.48Å; L211-K214 PolarHBondContact O-N 3.34Å; K214-C217 WeakPolarHBondContact O-CB 3.18Å; K214-C217 PolarHBondContact O-N 2.89Å
215	L	36.5	Very low	33.9	Very low	39 Å²	39	80.7 Å²	80.7	20%	0.204	44%	0.435	C	S	.	.	H	α-helix	trans	-68.4	-38.6	177	-74.3	163.8	0	0	0	110.9	L176 L211 L212 C217 L218 V219	L176-L215 HydrophobicContact CD2-CD1 4.25Å; L211-L215 HydrophobicContact CD2-CD1 4.36Å; L211-L215 VanDerWaalsContact O-CB 3.31Å; L211-L215 WeakPolarHBondContact O-CB 3.2Å; L211-L215 WeakPolarHBondContact O-CD1 3.25Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 3.24Å; L212-L215 PolarHBondContact O-N 3.34Å; L215-C217 PolarHBondContact O-N 2.83Å; L215-L218 PolarHBondContact O-N 3.45Å; L215-V219 VanDerWaalsContact O-CG2 3.3Å; L215-V219 WeakPolarHBondContact O-CG2 3.44Å; L215-V219 PolarHBondContact O-N 3.28Å
216	S	36.6	Very low	33.7	Very low	34 Å²	34	82.1 Å²	82.1	24%	0.238	45%	0.446	C	S	.	.	H	α-helix	trans	-65.2	-23.1	173.8	66.4	0	0	0	0	113.4	L212 V213 L218	L212-S216 WeakPolarHBondContact O-CB 3.32Å; L212-S216 PolarHBondContact O-N 2.78Å; L212-S216 PolarHBondContact O-OG 2.73Å; V213-S216 WeakPolarHBondContact CA-OG 3.41Å; V213-S216 PolarHBondContact O-OG 3.35Å; S216-L218 VanDerWaalsContact C-N 3.3Å
217	C	33	Very low	33.5	Very low	68 Å²	68	85.7 Å²	85.7	46%	0.459	45%	0.452	S	S	.	.	H	α-helix	trans	-77.5	-12.6	172.5	-62.7	0	0	0	0	113.4	V213 K214 L215	V213-C217 PolarHBondContact O-N 2.95Å; V213-C217 PolarHBondContact O-SG 3.36Å; K214-C217 WeakPolarHBondContact O-CB 3.18Å; K214-C217 PolarHBondContact O-N 2.89Å; L215-C217 PolarHBondContact O-N 2.83Å
218	L	30.3	Very low	33.4	Very low	126 Å²	126	80.3 Å²	80.3	66%	0.66	43%	0.432	S	S	*	.	H	α-helix	trans	-101.9	-16.4	-177.7	-71.4	167.5	0	0	0	113.2	L215 S216	L215-L218 PolarHBondContact O-N 3.45Å; S216-L218 VanDerWaalsContact C-N 3.3Å
219	V	29.6	Very low	33	Very low	80 Å²	80	79.4 Å²	79.4	49%	0.485	43%	0.428	S	S	.	.	H	α-helix	trans	-93.8	-28	-164.9	170.8	0	0	0	0	113.8	F179 L215	F179-V219 HydrophobicContact CD1-CG1 4.18Å; F179-V219 HydrophobicContact CD1-CG2 4.17Å; F179-V219 HydrophobicContact CE1-CG1 4.23Å; F179-V219 HydrophobicContact CE1-CG2 4.48Å; L215-V219 VanDerWaalsContact O-CG2 3.3Å; L215-V219 WeakPolarHBondContact O-CG2 3.44Å; L215-V219 PolarHBondContact O-N 3.28Å
220	D	29.8	Very low	32.5	Very low	72 Å²	72	82 Å²	82	39%	0.385	45%	0.448	S	S	.	.			trans	-166	127.8	-177.5	-174.9	15	0	0	0	113.7	Q222 S223 R228	D220-Q222 PolarHBondContact OD1-N 3.05Å; D220-S223 WeakPolarHBondContact OD2-CB 3.36Å; D220-S223 PolarHBondContact OD2-OG 2.89Å; D220-R228 VanDerWaalsContact CB-NH2 3.26Å; D220-R228 VanDerWaalsContact CG-NH2 3.26Å; D220-R228 VanDerWaalsContact O-CZ 3.26Å; D220-R228 PolarHBondContact O-NH1 3.26Å; D220-R228 PolarHBondContact O-NH2 3.5Å; D220-R228 IonicContact OD1-NH2 3.65Å; D220-R228 IonicContact OD2-CZ 2.71Å; D220-R228 IonicContact OD2-NH2 3.17Å; D220-R228 PolarHBondContact OD2-NH2 2.91Å
221	D	31.2	Very low	32	Very low	172 Å²	172	79.1 Å²	79.1	92%	0.92	44%	0.444	S	S	*	.	S	Bend	trans	-91.3	-4.5	178.4	-115.9	-6.9	0	0	0	112.6
222	Q	30.5	Very low	31.6	Very low	185 Å²	185	79.7 Å²	79.7	86%	0.864	45%	0.445	S	S	*	.	S	Bend	trans	-116.2	-4.7	-164.9	-60.8	-157.1	4.3	0	0	117.6	D220	D220-Q222 PolarHBondContact OD1-N 3.05Å
223	S	29.9	Very low	31.2	Very low	56 Å²	56	80.3 Å²	80.3	39%	0.392	45%	0.45	S	S	.	.	S	Bend	trans	-113.6	144.4	179.3	55.5	0	0	0	0	114.1	D220 R228	D220-S223 WeakPolarHBondContact OD2-CB 3.36Å; D220-S223 PolarHBondContact OD2-OG 2.89Å; S223-R228 VanDerWaalsContact N-NH2 3.15Å; S223-R228 PolarHBondContact O-NH2 3.25Å; S223-R228 PolarHBondContact OG-NE 2.73Å; S223-R228 PolarHBondContact OG-NH2 2.95Å
224	A	29	Very low	30.7	Very low	50 Å²	50	84 Å²	84	41%	0.413	47%	0.465	S	S	.	.			trans	-62.1	129.7	-170.3	0	0	0	0	0	112.6	S226 H227	A224-S226 PolarHBondContact O-N 3.4Å; A224-S226 VanDerWaalsContact O-N 3.11Å; A224-H227 PolarHBondContact O-N 2.99Å
225	P	29.1	Very low	30.3	Very low	43 Å²	43	84.1 Å²	84.1	28%	0.279	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.1	-174.2	-23.3	32.1	0	0	0	115.5	R228 V262	P225-R228 PolarHBondContact O-N 3.4Å; P225-V262 HydrophobicContact CB-CG2 4.42Å; P225-V262 HydrophobicContact CG-CB 4.12Å; P225-V262 HydrophobicContact CG-CG1 3.83Å; P225-V262 HydrophobicContact CG-CG2 3.63Å
226	S	27.4	Very low	30	Very low	88 Å²	88	88.8 Å²	88.8	62%	0.615	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-33.3	178.2	45.5	0	0	0	0	112.9	A224	A224-S226 PolarHBondContact O-N 3.4Å; A224-S226 VanDerWaalsContact O-N 3.11Å
227	H	29	Very low	29.6	Very low	164 Å²	164	92.5 Å²	92.5	76%	0.759	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.7	179.9	-72.9	-80.3	0	0	0	113.3	A224	A224-H227 PolarHBondContact O-N 2.99Å
228	R	30.3	Very low	29.4	Very low	73 Å²	73	96.7 Å²	96.7	28%	0.275	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.5	-171	-63.7	-173.4	-171.8	170.2	5.6	114.9	D220 S223 P225	D220-R228 VanDerWaalsContact CB-NH2 3.26Å; D220-R228 VanDerWaalsContact CG-NH2 3.26Å; D220-R228 VanDerWaalsContact O-CZ 3.26Å; D220-R228 PolarHBondContact O-NH1 3.26Å; D220-R228 PolarHBondContact O-NH2 3.5Å; D220-R228 IonicContact OD1-NH2 3.65Å; D220-R228 IonicContact OD2-CZ 2.71Å; D220-R228 IonicContact OD2-NH2 3.17Å; D220-R228 PolarHBondContact OD2-NH2 2.91Å; S223-R228 VanDerWaalsContact N-NH2 3.15Å; S223-R228 PolarHBondContact O-NH2 3.25Å; S223-R228 PolarHBondContact OG-NE 2.73Å; S223-R228 PolarHBondContact OG-NH2 2.95Å; P225-R228 PolarHBondContact O-N 3.4Å
229	I	29.6	Very low	29.3	Very low	45 Å²	45	95.7 Å²	95.7	23%	0.231	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-11.7	-156.9	-66.9	178.2	0	0	0	115.7	A231 V254 L258	I229-A231 PolarHBondContact O-N 3.25Å; I229-V254 HydrophobicContact CG2-CG1 3.97Å; I229-L258 HydrophobicContact CB-CD1 4.47Å; I229-L258 HydrophobicContact CD1-CD1 3.19Å; I229-L258 HydrophobicContact CD1-CD2 3.32Å; I229-L258 HydrophobicContact CD1-CG 3.83Å; I229-L258 HydrophobicContact CG1-CD1 4.34Å; I229-L258 HydrophobicContact CG2-CD1 4.16Å
230	S	27.9	Very low	29.1	Very low	80 Å²	80	97.8 Å²	97.8	56%	0.559	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-13.5	174.6	49.9	0	0	0	0	113.9
231	A	27.9	Very low	29.1	Very low	50 Å²	50	98.3 Å²	98.3	41%	0.413	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	7.8	-165.2	0	0	0	0	0	117.7	L198 I229	L198-A231 WeakPolarHBondContact CD2-O 3.03Å; I229-A231 PolarHBondContact O-N 3.25Å
232	F	29.7	Very low	29.2	Very low	72 Å²	72	95.3 Å²	95.3	32%	0.316	55%	0.549	S	S	.	.	S	Bend	trans	-111.4	-2.9	-162.8	-74.6	-77.3	0	0	0	119.6	L212	L212-F232 HydrophobicContact CD1-CD1 4.36Å; L212-F232 HydrophobicContact CD1-CE1 4.28Å
233	V	30.1	Very low	29.3	Very low	50 Å²	50	88.6 Å²	88.6	30%	0.303	52%	0.521	S	S	.	.			trans	-145.6	100.5	-174.9	-168.9	0	0	0	0	113.9	V247 R251	V233-V247 HydrophobicContact CG1-CG1 4.4Å; V233-R251 PolarHBondContact O-NH2 2.98Å
234	Q	29.7	Very low	29.4	Very low	119 Å²	119	89.6 Å²	89.6	56%	0.556	53%	0.532	S	S	*	.			trans	-111.6	120.1	158.1	-110.5	179.7	-8.3	0	0	108.8
235	L	29.7	Very low	29.5	Very low	100 Å²	100	88 Å²	88	52%	0.524	52%	0.517	S	S	.	.			trans	-95.5	117.4	171.9	-78.9	162.5	0	0	0	108.4	L242 V247	L235-L242 HydrophobicContact CD1-CB 4.42Å; L235-V247 HydrophobicContact CD1-CG2 3.54Å
236	D	29.6	Very low	29.9	Very low	138 Å²	138	87.7 Å²	87.7	74%	0.738	51%	0.513	S	S	*	.			trans	-67.9	130	167.4	-94.5	-26.6	0	0	0	109.5	D238	D236-D238 PolarHBondContact O-N 3Å
237	D	28.4	Very low	30.2	Very low	111 Å²	111	85 Å²	85	59%	0.594	49%	0.493	S	S	*	.	S	Bend	trans	-57	102	164	-79.5	-33.2	0	0	0	108.4
238	D	28.5	Very low	30.6	Very low	157 Å²	157	80.4 Å²	80.4	84%	0.84	47%	0.469	S	S	*	.	S	Bend	trans	169	129	139.4	-81.9	-29.7	0	0	0	110.5	D236	D236-D238 PolarHBondContact O-N 3Å
239	A	27.6	Very low	30.9	Very low	105 Å²	105	78.2 Å²	78.2	87%	0.868	46%	0.462	S	S	*	.	S	Bend	trans	88.9	-13.6	161.2	0	0	0	0	0	122.3
240	C	27.2	Very low	31.4	Very low	123 Å²	123	79.2 Å²	79.2	83%	0.831	46%	0.463	S	S	*	.			trans	-140.8	105.3	173.4	-87.1	0	0	0	0	112.3	L242	C240-L242 PolarHBondContact O-N 3.31Å
241	S	29.1	Very low	32	Very low	84 Å²	84	81.4 Å²	81.4	59%	0.587	46%	0.46	S	S	*	.			trans	-65.5	101.1	178.7	57.1	0	0	0	0	111	R289	S241-R289 PolarHBondContact O-NH1 2.65Å; S241-R289 VanDerWaalsContact O-NH1 3.11Å; S241-R289 PolarHBondContact O-NH2 3.07Å; S241-R289 PolarHBondContact OG-NH2 3.03Å
242	L	32.4	Very low	32.5	Very low	108 Å²	108	80 Å²	80	57%	0.565	45%	0.445	S	S	*	.			trans	-90.5	126.6	143.2	-84.9	153.6	0	0	0	105.2	L235 C240 D246	L235-L242 HydrophobicContact CD1-CB 4.42Å; C240-L242 PolarHBondContact O-N 3.31Å; L242-D246 HydrophobicContact CD2-CB 4.05Å
243	T	34.1	Very low	33	Very low	45 Å²	45	76.7 Å²	76.7	28%	0.276	43%	0.431	S	S	.	.			trans	-68.4	145.3	-178.5	61.9	0	0	0	0	108.5	V245 D246 V247	T243-V245 PolarHBondContact O-N 3.15Å; T243-V245 WeakPolarHBondContact OG1-CB 3.2Å; T243-D246 PolarHBondContact N-OD2 3.46Å; T243-D246 WeakPolarHBondContact O-CB 3.44Å; T243-D246 PolarHBondContact O-N 3.45Å; T243-D246 PolarHBondContact OG1-N 3.29Å; T243-D246 PolarHBondContact OG1-OD1 3.19Å; T243-D246 PolarHBondContact OG1-OD2 2.81Å; T243-V247 PolarHBondContact O-N 3.07Å
244	A	31.1	Very low	33.4	Very low	76 Å²	76	75.3 Å²	75.3	63%	0.628	42%	0.422	S	S	*	.	H	α-helix	trans	-51.9	-22.5	171.4	0	0	0	0	0	112.7	Y248	A244-Y248 VanDerWaalsContact O-CB 3.3Å; A244-Y248 WeakPolarHBondContact O-CB 3.39Å; A244-Y248 PolarHBondContact O-N 3.23Å
245	V	31.2	Very low	33.8	Very low	17 Å²	17	72.3 Å²	72.3	10%	0.103	42%	0.415	C	S	.	.	H	α-helix	trans	-64.1	-48.1	171.2	-179.5	0	0	0	0	111.3	T243 V247 Y248 F249 Y402 L405	T243-V245 PolarHBondContact O-N 3.15Å; T243-V245 WeakPolarHBondContact OG1-CB 3.2Å; V245-V247 VanDerWaalsContact C-N 3.29Å; V245-V247 PolarHBondContact O-N 2.89Å; V245-Y248 PolarHBondContact O-N 2.97Å; V245-F249 HydrophobicContact CG1-CD2 3.46Å; V245-F249 VanDerWaalsContact CG1-CD2 3.46Å; V245-F249 HydrophobicContact CG1-CE2 3.44Å; V245-F249 VanDerWaalsContact CG1-CE2 3.44Å; V245-F249 WeakPolarHBondContact O-CB 3.4Å; V245-F249 VanDerWaalsContact O-CD2 3.3Å; V245-F249 WeakPolarHBondContact O-CD2 3.22Å; V245-F249 PolarHBondContact O-N 2.75Å; V245-Y402 HydrophobicContact CG2-CD2 3.72Å; V245-Y402 HydrophobicContact CG2-CE2 4.03Å; V245-L405 HydrophobicContact CG1-CD1 3.97Å; V245-L405 HydrophobicContact CG2-CD1 4.29Å
246	D	36.5	Very low	34.2	Very low	36 Å²	36	68.2 Å²	68.2	19%	0.193	39%	0.393	C	S	.	.	H	α-helix	trans	-59.3	-41.3	179.3	-56.4	-43.6	0	0	0	111.6	L242 T243 Y250 T285	L242-D246 HydrophobicContact CD2-CB 4.05Å; T243-D246 PolarHBondContact N-OD2 3.46Å; T243-D246 WeakPolarHBondContact O-CB 3.44Å; T243-D246 PolarHBondContact O-N 3.45Å; T243-D246 PolarHBondContact OG1-N 3.29Å; T243-D246 PolarHBondContact OG1-OD1 3.19Å; T243-D246 PolarHBondContact OG1-OD2 2.81Å; D246-Y250 WeakPolarHBondContact O-CB 3.14Å; D246-Y250 PolarHBondContact O-N 2.66Å; D246-T285 WeakPolarHBondContact OD1-CG2 3.31Å
247	V	34.7	Very low	34.6	Very low	33 Å²	33	62.4 Å²	62.4	20%	0.2	36%	0.363	C	S	.	.	H	α-helix	trans	-70.8	-39.5	178.4	-178.7	0	0	0	0	111.8	V233 L235 T243 V245 Y250 R251	V233-V247 HydrophobicContact CG1-CG1 4.4Å; L235-V247 HydrophobicContact CD1-CG2 3.54Å; T243-V247 PolarHBondContact O-N 3.07Å; V245-V247 VanDerWaalsContact C-N 3.29Å; V245-V247 PolarHBondContact O-N 2.89Å; V247-Y250 PolarHBondContact O-N 3.41Å; V247-R251 WeakPolarHBondContact O-CG 3.31Å; V247-R251 PolarHBondContact O-N 3.07Å
248	Y	36.7	Very low	35	Very low	66 Å²	66	58 Å²	58	26%	0.259	34%	0.34	S	S	.	.	H	α-helix	trans	-66.7	-48.1	177.1	178.7	-99.4	0	0	0	111.8	A244 V245 Y250 R251 L252 L405	A244-Y248 VanDerWaalsContact O-CB 3.3Å; A244-Y248 WeakPolarHBondContact O-CB 3.39Å; A244-Y248 PolarHBondContact O-N 3.23Å; V245-Y248 PolarHBondContact O-N 2.97Å; Y248-Y250 VanDerWaalsContact C-N 3.27Å; Y248-Y250 PolarHBondContact O-N 2.93Å; Y248-R251 PolarHBondContact O-N 3.47Å; Y248-L252 HydrophobicContact CE1-CD1 3.98Å; Y248-L252 HydrophobicContact CE2-CD1 4.06Å; Y248-L252 VanDerWaalsContact O-CB 3.25Å; Y248-L252 WeakPolarHBondContact O-CB 3.32Å; Y248-L252 PolarHBondContact O-N 2.93Å; Y248-L252 WeakPolarHBondContact OH-CD1 3.46Å; Y248-L405 HydrophobicContact CD1-CD2 3.82Å; Y248-L405 HydrophobicContact CE1-CD2 3.74Å
249	F	37.5	Very low	35.3	Very low	28 Å²	28	51.7 Å²	51.7	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-40.8	174.6	-94.1	-91.5	0	0	0	111.9	V245 L252 S253 E281 A397 L405	V245-F249 HydrophobicContact CG1-CD2 3.46Å; V245-F249 VanDerWaalsContact CG1-CD2 3.46Å; V245-F249 HydrophobicContact CG1-CE2 3.44Å; V245-F249 VanDerWaalsContact CG1-CE2 3.44Å; V245-F249 WeakPolarHBondContact O-CB 3.4Å; V245-F249 VanDerWaalsContact O-CD2 3.3Å; V245-F249 WeakPolarHBondContact O-CD2 3.22Å; V245-F249 PolarHBondContact O-N 2.75Å; F249-L252 PolarHBondContact O-N 2.91Å; F249-S253 VanDerWaalsContact O-CB 3.23Å; F249-S253 WeakPolarHBondContact O-CB 3.27Å; F249-S253 PolarHBondContact O-N 3.27Å; F249-S253 PolarHBondContact O-OG 2.99Å; F249-E281 HydrophobicContact CD1-CG 3.91Å; F249-E281 HydrophobicContact CE1-CG 3.5Å; F249-E281 HydrophobicContact CZ-CG 3.94Å; F249-A397 HydrophobicContact CD1-CB 3.98Å; F249-A397 HydrophobicContact CE1-CB 3.08Å; F249-A397 HydrophobicContact CE2-CB 3.86Å; F249-A397 HydrophobicContact CZ-CB 3.05Å; F249-A397 WeakPolarHBondContact CZ-O 3.23Å; F249-L405 HydrophobicContact CE2-CD1 4.11Å
250	Y	40	Very low	35.6	Very low	65 Å²	65	46.7 Å²	46.7	26%	0.255	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-48.9	177.8	-168.8	-94.3	0	0	0	111.9	L209 D246 V247 Y248 L252 V254	L209-Y250 WeakPolarHBondContact CB-OH 3.41Å; L209-Y250 HydrophobicContact CD1-CE1 4.34Å; L209-Y250 HydrophobicContact CD2-CE1 4.42Å; D246-Y250 WeakPolarHBondContact O-CB 3.14Å; D246-Y250 PolarHBondContact O-N 2.66Å; V247-Y250 PolarHBondContact O-N 3.41Å; Y248-Y250 VanDerWaalsContact C-N 3.27Å; Y248-Y250 PolarHBondContact O-N 2.93Å; Y250-L252 VanDerWaalsContact C-N 3.34Å; Y250-L252 PolarHBondContact O-N 3.37Å; Y250-V254 HydrophobicContact CD1-CG2 4.39Å; Y250-V254 HydrophobicContact CE1-CG2 4.15Å; Y250-V254 WeakPolarHBondContact O-CB 3.48Å; Y250-V254 WeakPolarHBondContact O-CG2 3.42Å; Y250-V254 PolarHBondContact O-N 3.18Å
251	R	39.4	Very low	35.9	Very low	127 Å²	127	43.5 Å²	43.5	48%	0.479	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-43.7	176.8	-74.4	178.7	178.7	-158.3	-1.1	111.9	V233 V247 Y248 V254 S255	V233-R251 PolarHBondContact O-NH2 2.98Å; V247-R251 WeakPolarHBondContact O-CG 3.31Å; V247-R251 PolarHBondContact O-N 3.07Å; Y248-R251 PolarHBondContact O-N 3.47Å; R251-V254 PolarHBondContact O-N 3.41Å; R251-S255 PolarHBondContact O-N 3.14Å; R251-S255 PolarHBondContact O-OG 3.18Å; R251-S255 VanDerWaalsContact O-OG 3.06Å
252	L	40	Very low	36.1	Very low	20 Å²	20	43 Å²	43	11%	0.105	23%	0.231	C	C	.	.	H	α-helix	trans	-75.1	-35.1	-174.5	-155.1	124.2	0	0	0	112.8	Y248 F249 Y250 V254 S255 V256 C390 L394	Y248-L252 HydrophobicContact CE1-CD1 3.98Å; Y248-L252 HydrophobicContact CE2-CD1 4.06Å; Y248-L252 VanDerWaalsContact O-CB 3.25Å; Y248-L252 WeakPolarHBondContact O-CB 3.32Å; Y248-L252 PolarHBondContact O-N 2.93Å; Y248-L252 WeakPolarHBondContact OH-CD1 3.46Å; F249-L252 PolarHBondContact O-N 2.91Å; Y250-L252 VanDerWaalsContact C-N 3.34Å; Y250-L252 PolarHBondContact O-N 3.37Å; L252-V254 VanDerWaalsContact C-N 3.34Å; L252-S255 PolarHBondContact O-N 3.12Å; L252-V256 PolarHBondContact O-N 2.8Å; L252-C390 WeakPolarHBondContact CD2-O 3.36Å; L252-L394 HydrophobicContact CD2-CB 4.03Å; L252-L394 HydrophobicContact CD2-CD1 3.7Å; L252-L394 HydrophobicContact CD2-CG 3.53Å; L252-L394 VanDerWaalsContact CD2-N 3.34Å
253	S	39.7	Very low	36.2	Very low	3 Å²	3	43.1 Å²	43.1	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-36.7	171.9	-55.5	0	0	0	0	111.8	F249 C257 S274	F249-S253 VanDerWaalsContact O-CB 3.23Å; F249-S253 WeakPolarHBondContact O-CB 3.27Å; F249-S253 PolarHBondContact O-N 3.27Å; F249-S253 PolarHBondContact O-OG 2.99Å; S253-C257 WeakPolarHBondContact O-CB 3.22Å; S253-C257 PolarHBondContact O-N 3.44Å; S253-C257 PolarHBondContact O-SG 3.35Å; S253-C257 VanDerWaalsContact O-SG 3.32Å; S253-S274 PolarHBondContact O-OG 3.17Å
254	V	38.1	Very low	36.4	Very low	21 Å²	21	42.2 Å²	42.2	13%	0.127	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-46	174.1	167.4	0	0	0	0	110.4	I229 Y250 R251 L252 V256 C257 L258	I229-V254 HydrophobicContact CG2-CG1 3.97Å; Y250-V254 HydrophobicContact CD1-CG2 4.39Å; Y250-V254 HydrophobicContact CE1-CG2 4.15Å; Y250-V254 WeakPolarHBondContact O-CB 3.48Å; Y250-V254 WeakPolarHBondContact O-CG2 3.42Å; Y250-V254 PolarHBondContact O-N 3.18Å; R251-V254 PolarHBondContact O-N 3.41Å; L252-V254 VanDerWaalsContact C-N 3.34Å; V254-V256 PolarHBondContact O-N 3.45Å; V254-C257 WeakPolarHBondContact O-CB 3.48Å; V254-C257 PolarHBondContact O-N 3.05Å; V254-L258 HydrophobicContact CG1-CD1 3.46Å; V254-L258 VanDerWaalsContact CG1-CD1 3.46Å; V254-L258 HydrophobicContact CG1-CG 4.32Å; V254-L258 WeakPolarHBondContact O-CB 3.27Å; V254-L258 WeakPolarHBondContact O-CD1 3.48Å; V254-L258 WeakPolarHBondContact O-CG 3.18Å; V254-L258 PolarHBondContact O-N 2.93Å
255	S	38	Very low	36.8	Very low	56 Å²	56	48.6 Å²	48.6	39%	0.392	23%	0.225	S	C	.	.	H	α-helix	trans	-60.3	-41.5	176.4	-62.1	0	0	0	0	113.5	R251 L252 L258 F259	R251-S255 PolarHBondContact O-N 3.14Å; R251-S255 PolarHBondContact O-OG 3.18Å; R251-S255 VanDerWaalsContact O-OG 3.06Å; L252-S255 PolarHBondContact O-N 3.12Å; S255-L258 PolarHBondContact O-N 3Å; S255-F259 WeakPolarHBondContact O-CB 3.27Å; S255-F259 PolarHBondContact O-N 3.25Å
256	V	39.2	Very low	37.6	Very low	13 Å²	13	49.4 Å²	49.4	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-70	-38.4	175.1	170.7	0	0	0	0	112.5	L252 V254 G260 C390 L394	L252-V256 PolarHBondContact O-N 2.8Å; V254-V256 PolarHBondContact O-N 3.45Å; V256-G260 PolarHBondContact O-N 3.45Å; V256-C390 HydrophobicContact CG2-CB 3.41Å; V256-C390 VanDerWaalsContact CG2-CB 3.41Å; V256-L394 HydrophobicContact CB-CD1 3.63Å; V256-L394 HydrophobicContact CG1-CD1 4.05Å; V256-L394 HydrophobicContact CG2-CD1 3.19Å
257	C	37.7	Very low	38	Very low	16 Å²	16	49.4 Å²	49.4	11%	0.108	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-49	171.5	-83.1	0	0	0	0	111.3	S253 V254 F259 G260 I261 S274	S253-C257 WeakPolarHBondContact O-CB 3.22Å; S253-C257 PolarHBondContact O-N 3.44Å; S253-C257 PolarHBondContact O-SG 3.35Å; S253-C257 VanDerWaalsContact O-SG 3.32Å; V254-C257 WeakPolarHBondContact O-CB 3.48Å; V254-C257 PolarHBondContact O-N 3.05Å; C257-F259 PolarHBondContact O-N 2.94Å; C257-G260 CarbonylContact O-C 3.54Å; C257-G260 PolarHBondContact O-N 3.32Å; C257-I261 HydrophobicContact CB-CD1 4.08Å; C257-I261 WeakPolarHBondContact O-CB 3.43Å; C257-I261 VanDerWaalsContact O-CD1 3.28Å; C257-I261 WeakPolarHBondContact O-CD1 3.37Å; C257-I261 WeakPolarHBondContact O-CG1 3.5Å; C257-I261 PolarHBondContact O-N 3.08Å; C257-S274 WeakPolarHBondContact SG-CB 3.36Å; C257-S274 PolarHBondContact SG-OG 3.3Å
258	L	36.2	Very low	38.7	Very low	19 Å²	19	52 Å²	52	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-41.1	-178.2	-71.9	154.5	0	0	0	112.1	I229 V254 S255 G260 I261 V262	I229-L258 HydrophobicContact CB-CD1 4.47Å; I229-L258 HydrophobicContact CD1-CD1 3.19Å; I229-L258 HydrophobicContact CD1-CD2 3.32Å; I229-L258 HydrophobicContact CD1-CG 3.83Å; I229-L258 HydrophobicContact CG1-CD1 4.34Å; I229-L258 HydrophobicContact CG2-CD1 4.16Å; V254-L258 HydrophobicContact CG1-CD1 3.46Å; V254-L258 VanDerWaalsContact CG1-CD1 3.46Å; V254-L258 HydrophobicContact CG1-CG 4.32Å; V254-L258 WeakPolarHBondContact O-CB 3.27Å; V254-L258 WeakPolarHBondContact O-CD1 3.48Å; V254-L258 WeakPolarHBondContact O-CG 3.18Å; V254-L258 PolarHBondContact O-N 2.93Å; S255-L258 PolarHBondContact O-N 3Å; L258-G260 VanDerWaalsContact C-N 3.34Å; L258-I261 PolarHBondContact O-N 3.39Å; L258-V262 VanDerWaalsContact O-CB 3.31Å; L258-V262 WeakPolarHBondContact O-CB 3.48Å; L258-V262 WeakPolarHBondContact O-CG2 3.31Å; L258-V262 PolarHBondContact O-N 2.77Å
259	F	35.4	Very low	39.6	Very low	25 Å²	25	49.4 Å²	49.4	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-44.3	174	-168.2	-85.5	0	0	0	111.5	S255 C257 R263 V379 N383 F387	S255-F259 WeakPolarHBondContact O-CB 3.27Å; S255-F259 PolarHBondContact O-N 3.25Å; C257-F259 PolarHBondContact O-N 2.94Å; F259-R263 PolarHBondContact O-N 3.44Å; F259-V379 HydrophobicContact CZ-CG1 4.42Å; F259-N383 HydrophobicContact CE2-CB 3.88Å; F259-N383 WeakPolarHBondContact CE2-O 3.25Å; F259-N383 HydrophobicContact CZ-CB 4.34Å; F259-N383 VanDerWaalsContact CZ-O 3.27Å; F259-N383 WeakPolarHBondContact CZ-O 3.24Å; F259-F387 HydrophobicContact CB-CD2 4.08Å; F259-F387 HydrophobicContact CD1-CB 3.86Å; F259-F387 HydrophobicContact CD1-CD1 4.44Å; F259-F387 AromaticContact CD1-CD2 2.95Å; F259-F387 HydrophobicContact CD1-CD2 2.95Å; F259-F387 AromaticContact CD1-CE2 3.44Å; F259-F387 HydrophobicContact CD1-CE2 3.44Å; F259-F387 VanDerWaalsContact CD1-CE2 3.44Å; F259-F387 AromaticContact CD1-CG 3.51Å; F259-F387 HydrophobicContact CD1-CG 3.51Å; F259-F387 HydrophobicContact CD1-CZ 4.35Å; F259-F387 HydrophobicContact CD2-CB 4.18Å; F259-F387 HydrophobicContact CD2-CD2 4.35Å; F259-F387 HydrophobicContact CE1-CB 3.47Å; F259-F387 VanDerWaalsContact CE1-CB 3.47Å; F259-F387 HydrophobicContact CE1-CD1 4.01Å; F259-F387 AromaticContact CE1-CD2 3.32Å; F259-F387 HydrophobicContact CE1-CD2 3.32Å; F259-F387 AromaticContact CE1-CE2 3.95Å; F259-F387 HydrophobicContact CE1-CE2 3.95Å; F259-F387 AromaticContact CE1-CG 3.31Å; F259-F387 HydrophobicContact CE1-CG 3.31Å; F259-F387 HydrophobicContact CE2-CB 3.85Å; F259-F387 HydrophobicContact CG-CB 4.18Å; F259-F387 AromaticContact CG-CD2 3.53Å; F259-F387 HydrophobicContact CG-CD2 3.53Å; F259-F387 HydrophobicContact CG-CE2 4.25Å; F259-F387 HydrophobicContact CG-CG 4.19Å; F259-F387 HydrophobicContact CZ-CB 3.48Å; F259-F387 VanDerWaalsContact CZ-CB 3.48Å; F259-F387 HydrophobicContact CZ-CD2 4.18Å; F259-F387 AromaticContact CZ-CG 3.89Å; F259-F387 HydrophobicContact CZ-CG 3.89Å
260	G	34.4	Very low	40.1	Very low	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67	-34.8	177.1	0	0	0	0	0	114.8	V256 C257 L258 M264	V256-G260 PolarHBondContact O-N 3.45Å; C257-G260 CarbonylContact O-C 3.54Å; C257-G260 PolarHBondContact O-N 3.32Å; L258-G260 VanDerWaalsContact C-N 3.34Å; G260-M264 WeakPolarHBondContact O-CB 3.49Å; G260-M264 PolarHBondContact O-N 2.75Å
261	I	33.7	Very low	40.6	Very low	55 Å²	55	47.9 Å²	47.9	28%	0.282	23%	0.233	S	C	.	.	H	α-helix	trans	-75.9	-38.5	-178.4	-72.1	162.8	0	0	0	110.8	C257 L258	C257-I261 HydrophobicContact CB-CD1 4.08Å; C257-I261 WeakPolarHBondContact O-CB 3.43Å; C257-I261 VanDerWaalsContact O-CD1 3.28Å; C257-I261 WeakPolarHBondContact O-CD1 3.37Å; C257-I261 WeakPolarHBondContact O-CG1 3.5Å; C257-I261 PolarHBondContact O-N 3.08Å; L258-I261 PolarHBondContact O-N 3.39Å
262	V	31.6	Very low	41.4	Very low	75 Å²	75	42.7 Å²	42.7	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-85.5	-20.8	-173.1	176.3	0	0	0	0	112.6	P225 L258	P225-V262 HydrophobicContact CB-CG2 4.42Å; P225-V262 HydrophobicContact CG-CB 4.12Å; P225-V262 HydrophobicContact CG-CG1 3.83Å; P225-V262 HydrophobicContact CG-CG2 3.63Å; L258-V262 VanDerWaalsContact O-CB 3.31Å; L258-V262 WeakPolarHBondContact O-CB 3.48Å; L258-V262 WeakPolarHBondContact O-CG2 3.31Å; L258-V262 PolarHBondContact O-N 2.77Å
263	R	35.3	Very low	42.1	Very low	109 Å²	109	42.2 Å²	42.2	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-128	-6	-169.3	-64.8	-80.4	-176.7	148.8	-1	115.6	F259 R378	F259-R263 PolarHBondContact O-N 3.44Å; R263-R378 PolarHBondContact NH1-O 2.81Å
264	M	37.8	Very low	42.6	Very low	27 Å²	27	42.4 Å²	42.4	13%	0.133	21%	0.213	C	C	.	.			trans	-128	136.6	-172.3	-62.1	-167.4	157.1	0	0	114.2	G260 H266 S267 L270 L368 V371 F387	G260-M264 WeakPolarHBondContact O-CB 3.49Å; G260-M264 PolarHBondContact O-N 2.75Å; M264-H266 PolarHBondContact O-N 3.31Å; M264-S267 PolarHBondContact O-N 3.49Å; M264-S267 VanDerWaalsContact O-N 3.17Å; M264-L270 HydrophobicContact CB-CD1 4.37Å; M264-L270 HydrophobicContact SD-CD1 3.84Å; M264-L368 HydrophobicContact SD-CD2 4.44Å; M264-V371 HydrophobicContact CE-CB 4.14Å; M264-V371 HydrophobicContact CE-CG1 3.32Å; M264-V371 HydrophobicContact CG-CG1 4.16Å; M264-V371 HydrophobicContact SD-CB 4.49Å; M264-V371 HydrophobicContact SD-CG1 3.52Å; M264-V371 VanDerWaalsContact SD-CG1 3.52Å; M264-F387 HydrophobicContact CE-CZ 4.5Å
265	R	38.8	Very low	43.2	Very low	210 Å²	210	43.1 Å²	43.1	79%	0.792	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-3.8	174.1	-148	175.6	-171.5	-177.3	4.1	113.9	Y375	R265-Y375 VanDerWaalsContact CB-OH 3.27Å; R265-Y375 WeakPolarHBondContact CB-OH 3.49Å; R265-Y375 VanDerWaalsContact CD-OH 3.3Å; R265-Y375 WeakPolarHBondContact CD-OH 3.19Å
266	H	49.8	Very low	44.2	Very low	34 Å²	34	40.8 Å²	40.8	16%	0.157	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	30.3	-176.9	-52.9	-55.5	0	0	0	112.6	M264 N268 L269 L270 C319	M264-H266 PolarHBondContact O-N 3.31Å; H266-N268 PolarHBondContact O-N 2.96Å; H266-N268 VanDerWaalsContact O-N 3.12Å; H266-L269 HydrophobicContact CB-CB 4.09Å; H266-L269 HydrophobicContact CB-CD2 4.44Å; H266-L269 WeakPolarHBondContact O-CA 3.41Å; H266-L269 VanDerWaalsContact O-CB 3.28Å; H266-L269 WeakPolarHBondContact O-CB 3.3Å; H266-L269 PolarHBondContact O-N 3.47Å; H266-L270 PolarHBondContact O-N 3.4Å; H266-C319 VanDerWaalsContact CE1-SG 3.59Å; H266-C319 PolarHBondContact ND1-SG 3.5Å
267	S	43.9	Very low	44.8	Very low	35 Å²	35	42.5 Å²	42.5	25%	0.245	21%	0.209	C	C	.	.	H	α-helix	trans	-47	-38.9	176.3	58.5	0	0	0	0	113.8	M264 L270 T271	M264-S267 PolarHBondContact O-N 3.49Å; M264-S267 VanDerWaalsContact O-N 3.17Å; S267-L270 PolarHBondContact O-N 2.74Å; S267-T271 WeakPolarHBondContact O-CB 3.42Å; S267-T271 PolarHBondContact O-N 3.22Å; S267-T271 PolarHBondContact O-OG1 3.41Å
268	N	50	Low	45.3	Very low	89 Å²	89	44.4 Å²	44.4	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-38.3	176	-69.6	-27.6	0	0	0	113	H266 L272 E315	H266-N268 PolarHBondContact O-N 2.96Å; H266-N268 VanDerWaalsContact O-N 3.12Å; N268-L272 WeakPolarHBondContact O-CB 3.25Å; N268-L272 PolarHBondContact O-N 2.78Å; N268-E315 VanDerWaalsContact CB-CD 3.49Å; N268-E315 HydrophobicContact CB-CG 4.07Å; N268-E315 WeakPolarHBondContact CB-OE2 3.1Å
269	L	54.1	Low	46	Very low	11 Å²	11	46.4 Å²	46.4	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-45.6	176.2	178.1	66.3	0	0	0	110.6	H266 L272 L273 L312 E315 L316 M367	H266-L269 HydrophobicContact CB-CB 4.09Å; H266-L269 HydrophobicContact CB-CD2 4.44Å; H266-L269 WeakPolarHBondContact O-CA 3.41Å; H266-L269 VanDerWaalsContact O-CB 3.28Å; H266-L269 WeakPolarHBondContact O-CB 3.3Å; H266-L269 PolarHBondContact O-N 3.47Å; L269-L272 PolarHBondContact O-N 3Å; L269-L273 HydrophobicContact CD1-CD1 4.27Å; L269-L273 HydrophobicContact CD1-CG 4.48Å; L269-L273 HydrophobicContact CG-CD1 4Å; L269-L273 WeakPolarHBondContact O-CB 3.34Å; L269-L273 VanDerWaalsContact O-CG 3.27Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 2.81Å; L269-L312 HydrophobicContact CD1-CD1 3.52Å; L269-E315 HydrophobicContact CB-CB 4.3Å; L269-E315 HydrophobicContact CD1-CB 4.24Å; L269-L316 HydrophobicContact CD1-CD2 3.54Å; L269-L316 HydrophobicContact CD1-CG 3.81Å; L269-L316 HydrophobicContact CD2-CD2 3.82Å; L269-L316 HydrophobicContact CG-CD2 4.34Å; L269-M367 HydrophobicContact CD2-CE 3.87Å
270	L	49.9	Very low	46.9	Very low	16 Å²	16	45.8 Å²	45.8	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-39.7	-179.8	-68.2	169.6	0	0	0	111.9	M264 H266 S267 L272 L273 S274 L368	M264-L270 HydrophobicContact CB-CD1 4.37Å; M264-L270 HydrophobicContact SD-CD1 3.84Å; H266-L270 PolarHBondContact O-N 3.4Å; S267-L270 PolarHBondContact O-N 2.74Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L272 PolarHBondContact O-N 2.93Å; L270-L273 PolarHBondContact O-N 2.82Å; L270-S274 VanDerWaalsContact O-CB 3.3Å; L270-S274 WeakPolarHBondContact O-CB 3.29Å; L270-S274 PolarHBondContact O-N 2.78Å; L270-L368 HydrophobicContact CD2-CD2 4.11Å
271	T	49.4	Very low	47.5	Very low	45 Å²	45	46.9 Å²	46.9	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-43.2	172.6	-58.3	0	0	0	0	111.4	S267 S275	S267-T271 WeakPolarHBondContact O-CB 3.42Å; S267-T271 PolarHBondContact O-N 3.22Å; S267-T271 PolarHBondContact O-OG1 3.41Å; T271-S275 WeakPolarHBondContact O-CB 3.36Å; T271-S275 PolarHBondContact O-N 2.92Å; T271-S275 PolarHBondContact O-OG 3.29Å
272	L	56.7	Low	48.1	Very low	17 Å²	17	49 Å²	49	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-44.7	179.5	-174.6	74.4	0	0	0	111.8	N268 L269 L270 H276 F308 R311 L312 E315	N268-L272 WeakPolarHBondContact O-CB 3.25Å; N268-L272 PolarHBondContact O-N 2.78Å; L269-L272 PolarHBondContact O-N 3Å; L270-L272 VanDerWaalsContact C-N 3.32Å; L270-L272 PolarHBondContact O-N 2.93Å; L272-H276 PolarHBondContact O-N 3.45Å; L272-H276 VanDerWaalsContact O-N 3.07Å; L272-F308 HydrophobicContact CD1-CD2 4.11Å; L272-F308 HydrophobicContact CD2-CD2 4.26Å; L272-F308 HydrophobicContact CD2-CE2 4.14Å; L272-F308 HydrophobicContact CG-CD2 3.84Å; L272-F308 HydrophobicContact CG-CE2 3.79Å; L272-F308 WeakPolarHBondContact O-CE2 3.35Å; L272-R311 HydrophobicContact CD1-CB 3.58Å; L272-R311 HydrophobicContact CD1-CG 4.4Å; L272-R311 VanDerWaalsContact CD2-C 3.43Å; L272-R311 HydrophobicContact CD2-CB 3.8Å; L272-R311 HydrophobicContact CG-CB 4.35Å; L272-L312 HydrophobicContact CD2-CB 3.79Å; L272-L312 HydrophobicContact CD2-CD1 4.08Å; L272-E315 HydrophobicContact CD2-CG 4.37Å
273	L	54.6	Low	48.9	Very low	10 Å²	10	47.2 Å²	47.2	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-49.2	176.8	-74.4	166.7	0	0	0	111.4	L269 L270 S275 H276 F277 F308 L312 L328 L364	L269-L273 HydrophobicContact CD1-CD1 4.27Å; L269-L273 HydrophobicContact CD1-CG 4.48Å; L269-L273 HydrophobicContact CG-CD1 4Å; L269-L273 WeakPolarHBondContact O-CB 3.34Å; L269-L273 VanDerWaalsContact O-CG 3.27Å; L269-L273 WeakPolarHBondContact O-CG 3.28Å; L269-L273 PolarHBondContact O-N 2.81Å; L270-L273 PolarHBondContact O-N 2.82Å; L273-S275 PolarHBondContact O-N 2.77Å; L273-H276 WeakPolarHBondContact O-CB 3.17Å; L273-H276 PolarHBondContact O-N 2.78Å; L273-H276 VanDerWaalsContact O-N 3.15Å; L273-F277 HydrophobicContact CB-CE2 4.37Å; L273-F277 HydrophobicContact CD2-CE2 4.43Å; L273-F277 WeakPolarHBondContact O-CD2 3.28Å; L273-F277 PolarHBondContact O-N 3.47Å; L273-F308 HydrophobicContact CD2-CZ 4.13Å; L273-L312 HydrophobicContact CD2-CD1 4.13Å; L273-L312 HydrophobicContact CG-CD1 4.48Å; L273-L328 HydrophobicContact CD2-CD2 4.45Å; L273-L364 HydrophobicContact CD1-CD2 3.46Å; L273-L364 VanDerWaalsContact CD1-CD2 3.46Å; L273-L364 HydrophobicContact CD2-CD2 3.99Å; L273-L364 HydrophobicContact CG-CD2 4.36Å
274	S	49.6	Very low	49.5	Very low	7 Å²	7	44.8 Å²	44.8	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-44.9	178.3	179.6	0	0	0	0	112.2	S253 C257 L270 H276 F277 M278	S253-S274 PolarHBondContact O-OG 3.17Å; C257-S274 WeakPolarHBondContact SG-CB 3.36Å; C257-S274 PolarHBondContact SG-OG 3.3Å; L270-S274 VanDerWaalsContact O-CB 3.3Å; L270-S274 WeakPolarHBondContact O-CB 3.29Å; L270-S274 PolarHBondContact O-N 2.78Å; S274-H276 VanDerWaalsContact C-N 3.26Å; S274-H276 PolarHBondContact O-N 2.98Å; S274-F277 PolarHBondContact O-N 3.03Å; S274-M278 WeakPolarHBondContact O-CB 3.23Å; S274-M278 WeakPolarHBondContact O-CG 3.17Å; S274-M278 PolarHBondContact O-N 3.15Å
275	S	51.9	Low	49.7	Very low	37 Å²	37	44.7 Å²	44.7	26%	0.259	22%	0.221	S	C	.	.	H	α-helix	trans	-56.9	-42.1	175	-60.8	0	0	0	0	111.6	T271 L273 E279	T271-S275 WeakPolarHBondContact O-CB 3.36Å; T271-S275 PolarHBondContact O-N 2.92Å; T271-S275 PolarHBondContact O-OG 3.29Å; L273-S275 PolarHBondContact O-N 2.77Å; S275-E279 WeakPolarHBondContact O-CB 3.35Å; S275-E279 WeakPolarHBondContact O-CG 3.33Å; S275-E279 PolarHBondContact O-N 3.37Å
276	H	57.9	Low	49.8	Very low	6 Å²	6	38.5 Å²	38.5	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-68.1	-43.9	178.4	-170.2	56.9	0	0	0	113.2	L272 L273 S274 M278 E279 L280 H305 F308	L272-H276 PolarHBondContact O-N 3.45Å; L272-H276 VanDerWaalsContact O-N 3.07Å; L273-H276 WeakPolarHBondContact O-CB 3.17Å; L273-H276 PolarHBondContact O-N 2.78Å; L273-H276 VanDerWaalsContact O-N 3.15Å; S274-H276 VanDerWaalsContact C-N 3.26Å; S274-H276 PolarHBondContact O-N 2.98Å; H276-M278 VanDerWaalsContact C-N 3.35Å; H276-M278 PolarHBondContact O-N 3.2Å; H276-E279 PolarHBondContact O-N 3.26Å; H276-L280 WeakPolarHBondContact O-CG 3.33Å; H276-L280 PolarHBondContact O-N 3.4Å; H276-H305 AromaticContact CE1-ND1 3.56Å; H276-H305 AromaticContact NE2-ND1 3.57Å; H276-F308 HydrophobicContact CB-CD1 4.23Å; H276-F308 HydrophobicContact CB-CD2 3.41Å; H276-F308 VanDerWaalsContact CB-CD2 3.41Å; H276-F308 HydrophobicContact CB-CE1 4.09Å; H276-F308 HydrophobicContact CB-CE2 3.26Å; H276-F308 HydrophobicContact CB-CG 3.89Å; H276-F308 HydrophobicContact CB-CZ 3.63Å; H276-F308 AromaticContact CD2-CD1 3.42Å; H276-F308 VanDerWaalsContact CD2-CD1 3.42Å; H276-F308 WeakPolarHBondContact CD2-CD1 3.48Å; H276-F308 AromaticContact CD2-CE1 3.11Å; H276-F308 WeakPolarHBondContact CD2-CE1 3.2Å; H276-F308 AromaticContact CD2-CE2 3.99Å; H276-F308 AromaticContact CD2-CG 3.96Å; H276-F308 AromaticContact CD2-CZ 3.43Å; H276-F308 VanDerWaalsContact CD2-CZ 3.43Å; H276-F308 WeakPolarHBondContact CD2-CZ 3.21Å; H276-F308 AromaticContact CE1-CD1 3.43Å; H276-F308 VanDerWaalsContact CE1-CD1 3.43Å; H276-F308 WeakPolarHBondContact CE1-CD1 3.33Å; H276-F308 AromaticContact CE1-CE1 3.95Å; H276-F308 AromaticContact CE1-CG 3.79Å; H276-F308 AromaticContact CG-CD1 3.45Å; H276-F308 VanDerWaalsContact CG-CD1 3.45Å; H276-F308 AromaticContact CG-CD2 3.56Å; H276-F308 AromaticContact CG-CE1 3.47Å; H276-F308 VanDerWaalsContact CG-CE1 3.47Å; H276-F308 AromaticContact CG-CE2 3.6Å; H276-F308 AromaticContact CG-CG 3.47Å; H276-F308 VanDerWaalsContact CG-CG 3.47Å; H276-F308 AromaticContact CG-CZ 3.55Å; H276-F308 AromaticContact ND1-CD1 3.46Å; H276-F308 WeakPolarHBondContact ND1-CD1 3.35Å; H276-F308 AromaticContact ND1-CD2 3.85Å; H276-F308 AromaticContact ND1-CE1 3.97Å; H276-F308 AromaticContact ND1-CG 3.36Å; H276-F308 WeakPolarHBondContact ND1-CG 3.25Å; H276-F308 AromaticContact NE2-CD1 3.39Å; H276-F308 WeakPolarHBondContact NE2-CD1 3.32Å; H276-F308 AromaticContact NE2-CE1 3.44Å; H276-F308 WeakPolarHBondContact NE2-CE1 3.43Å
277	F	51.5	Low	49.6	Very low	50 Å²	50	39.8 Å²	39.8	22%	0.219	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-39.3	177.2	-73.9	-63.5	0	0	0	112.3	L273 S274 L280 E281 V360 L364	L273-F277 HydrophobicContact CB-CE2 4.37Å; L273-F277 HydrophobicContact CD2-CE2 4.43Å; L273-F277 WeakPolarHBondContact O-CD2 3.28Å; L273-F277 PolarHBondContact O-N 3.47Å; S274-F277 PolarHBondContact O-N 3.03Å; F277-L280 HydrophobicContact CD1-CD1 4.45Å; F277-L280 PolarHBondContact O-N 3.28Å; F277-E281 PolarHBondContact O-N 2.84Å; F277-V360 HydrophobicContact CE1-CG1 4.23Å; F277-V360 HydrophobicContact CZ-CG1 3.67Å; F277-L364 HydrophobicContact CE2-CD1 3.63Å; F277-L364 HydrophobicContact CZ-CD1 3.68Å
278	M	48.7	Very low	49.2	Very low	56 Å²	56	45.3 Å²	45.3	28%	0.276	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-45	172.3	-74.6	-167.2	-67	0	0	111.5	S274 H276 L280 E281 L282	S274-M278 WeakPolarHBondContact O-CB 3.23Å; S274-M278 WeakPolarHBondContact O-CG 3.17Å; S274-M278 PolarHBondContact O-N 3.15Å; H276-M278 VanDerWaalsContact C-N 3.35Å; H276-M278 PolarHBondContact O-N 3.2Å; M278-L280 PolarHBondContact O-N 3.08Å; M278-E281 PolarHBondContact O-N 3.43Å; M278-L282 WeakPolarHBondContact O-CB 3.1Å; M278-L282 VanDerWaalsContact O-CG 3.27Å; M278-L282 WeakPolarHBondContact O-CG 3.13Å; M278-L282 PolarHBondContact O-N 2.99Å
279	E	52.1	Low	48.7	Very low	61 Å²	61	47 Å²	47	29%	0.285	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-41.4	176.5	-78.1	-177.6	-176.3	0	0	112.5	S275 H276 L282 V283	S275-E279 WeakPolarHBondContact O-CB 3.35Å; S275-E279 WeakPolarHBondContact O-CG 3.33Å; S275-E279 PolarHBondContact O-N 3.37Å; H276-E279 PolarHBondContact O-N 3.26Å; E279-L282 PolarHBondContact O-N 2.83Å; E279-V283 WeakPolarHBondContact O-CG2 3.15Å; E279-V283 PolarHBondContact O-N 3.03Å
280	L	52.3	Low	47.8	Very low	12 Å²	12	50.6 Å²	50.6	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-41	176.7	-72.7	176.9	0	0	0	111.9	H276 F277 M278 V283 R284 L339	H276-L280 WeakPolarHBondContact O-CG 3.33Å; H276-L280 PolarHBondContact O-N 3.4Å; F277-L280 HydrophobicContact CD1-CD1 4.45Å; F277-L280 PolarHBondContact O-N 3.28Å; M278-L280 PolarHBondContact O-N 3.08Å; L280-V283 PolarHBondContact O-N 3.38Å; L280-R284 WeakPolarHBondContact O-CB 3.24Å; L280-R284 PolarHBondContact O-N 3.45Å; L280-L339 HydrophobicContact CD2-CD1 3.7Å
281	E	48.5	Very low	47.5	Very low	23 Å²	23	55.8 Å²	55.8	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-38.1	175.3	-86	-60.8	148.1	0	0	112.9	F249 F277 M278 V283 R284 T285	F249-E281 HydrophobicContact CD1-CG 3.91Å; F249-E281 HydrophobicContact CE1-CG 3.5Å; F249-E281 HydrophobicContact CZ-CG 3.94Å; F277-E281 PolarHBondContact O-N 2.84Å; M278-E281 PolarHBondContact O-N 3.43Å; E281-V283 VanDerWaalsContact C-N 3.29Å; E281-V283 PolarHBondContact O-N 2.79Å; E281-R284 VanDerWaalsContact CD-NE 3.3Å; E281-R284 WeakPolarHBondContact O-CB 3.19Å; E281-R284 PolarHBondContact O-N 2.95Å; E281-R284 IonicContact OE1-CZ 3.57Å; E281-R284 IonicContact OE1-NE 2.95Å; E281-R284 PolarHBondContact OE1-NE 3.39Å; E281-R284 VanDerWaalsContact OE1-NE 3.1Å; E281-R284 IonicContact OE1-NH2 3.07Å; E281-R284 IonicContact OE2-CZ 3.25Å; E281-R284 IonicContact OE2-NE 2.64Å; E281-R284 PolarHBondContact OE2-NE 3.27Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact OE2-NH2 2.65Å; E281-T285 WeakPolarHBondContact O-CB 3.5Å; E281-T285 WeakPolarHBondContact O-CG2 3.06Å; E281-T285 PolarHBondContact O-N 3.47Å; E281-T285 PolarHBondContact O-OG1 3.26Å
282	L	45.6	Very low	47.3	Very low	99 Å²	99	62.1 Å²	62.1	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-38.7	172.6	-75	170.4	0	0	0	111.5	M278 E279 T285 N286	M278-L282 WeakPolarHBondContact O-CB 3.1Å; M278-L282 VanDerWaalsContact O-CG 3.27Å; M278-L282 WeakPolarHBondContact O-CG 3.13Å; M278-L282 PolarHBondContact O-N 2.99Å; E279-L282 PolarHBondContact O-N 2.83Å; L282-T285 VanDerWaalsContact CA-OG1 3.31Å; L282-T285 WeakPolarHBondContact CA-OG1 3.45Å; L282-T285 PolarHBondContact O-OG1 3.38Å; L282-N286 VanDerWaalsContact O-CB 3.27Å; L282-N286 WeakPolarHBondContact O-CB 3.1Å; L282-N286 PolarHBondContact O-N 3.13Å; L282-N286 PolarHBondContact O-ND2 3.49Å
283	V	48.5	Very low	46.8	Very low	37 Å²	37	66.2 Å²	66.2	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-68.3	-42.3	174.7	170.4	0	0	0	0	110.2	E279 L280 E281 N286 A287 L301	E279-V283 WeakPolarHBondContact O-CG2 3.15Å; E279-V283 PolarHBondContact O-N 3.03Å; L280-V283 PolarHBondContact O-N 3.38Å; E281-V283 VanDerWaalsContact C-N 3.29Å; E281-V283 PolarHBondContact O-N 2.79Å; V283-N286 PolarHBondContact O-N 3.37Å; V283-A287 VanDerWaalsContact O-CB 3.22Å; V283-A287 WeakPolarHBondContact O-CB 3.09Å; V283-A287 PolarHBondContact O-N 3.31Å; V283-L301 HydrophobicContact CB-CD1 3.85Å; V283-L301 HydrophobicContact CG1-CD1 3.59Å; V283-L301 HydrophobicContact CG1-CD2 4.35Å; V283-L301 HydrophobicContact CG2-CD1 3.37Å
284	R	48.4	Very low	46.2	Very low	59 Å²	59	69.9 Å²	69.9	22%	0.223	36%	0.363	C	S	.	.	H	α-helix	trans	-60.2	-47.9	177.5	-169.1	-172.9	71.7	111.8	2.8	111.2	L280 E281 A287 Y288	L280-R284 WeakPolarHBondContact O-CB 3.24Å; L280-R284 PolarHBondContact O-N 3.45Å; E281-R284 VanDerWaalsContact CD-NE 3.3Å; E281-R284 WeakPolarHBondContact O-CB 3.19Å; E281-R284 PolarHBondContact O-N 2.95Å; E281-R284 IonicContact OE1-CZ 3.57Å; E281-R284 IonicContact OE1-NE 2.95Å; E281-R284 PolarHBondContact OE1-NE 3.39Å; E281-R284 VanDerWaalsContact OE1-NE 3.1Å; E281-R284 IonicContact OE1-NH2 3.07Å; E281-R284 IonicContact OE2-CZ 3.25Å; E281-R284 IonicContact OE2-NE 2.64Å; E281-R284 PolarHBondContact OE2-NE 3.27Å; E281-R284 IonicContact OE2-NH2 3.5Å; E281-R284 PolarHBondContact OE2-NH2 2.65Å; R284-A287 PolarHBondContact O-N 2.9Å; R284-Y288 HydrophobicContact CG-CD2 3.98Å; R284-Y288 HydrophobicContact CG-CE2 3.58Å; R284-Y288 WeakPolarHBondContact O-CD2 3.1Å; R284-Y288 PolarHBondContact O-N 3.12Å; R284-Y288 VanDerWaalsContact O-N 3.08Å
285	T	42	Very low	45.9	Very low	25 Å²	25	73.4 Å²	73.4	15%	0.153	39%	0.387	C	S	.	.	H	α-helix	trans	-66.6	-39.3	179.1	45.2	0	0	0	0	112.5	D246 E281 L282 Y288 R289	D246-T285 WeakPolarHBondContact OD1-CG2 3.31Å; E281-T285 WeakPolarHBondContact O-CB 3.5Å; E281-T285 WeakPolarHBondContact O-CG2 3.06Å; E281-T285 PolarHBondContact O-N 3.47Å; E281-T285 PolarHBondContact O-OG1 3.26Å; L282-T285 VanDerWaalsContact CA-OG1 3.31Å; L282-T285 WeakPolarHBondContact CA-OG1 3.45Å; L282-T285 PolarHBondContact O-OG1 3.38Å; T285-Y288 PolarHBondContact O-N 2.7Å; T285-R289 PolarHBondContact O-N 3.36Å
286	N	41.2	Very low	45.3	Very low	79 Å²	79	78.4 Å²	78.4	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-69.1	-36.6	174.5	-73.5	-30.9	0	0	0	112.8	L282 V283 Y288 R289 N290	L282-N286 VanDerWaalsContact O-CB 3.27Å; L282-N286 WeakPolarHBondContact O-CB 3.1Å; L282-N286 PolarHBondContact O-N 3.13Å; L282-N286 PolarHBondContact O-ND2 3.49Å; V283-N286 PolarHBondContact O-N 3.37Å; N286-Y288 VanDerWaalsContact C-N 3.25Å; N286-Y288 PolarHBondContact O-N 3.41Å; N286-R289 PolarHBondContact O-N 2.83Å; N286-R289 VanDerWaalsContact O-N 3.15Å; N286-N290 PolarHBondContact O-N 2.86Å
287	A	44.2	Very low	45.1	Very low	61 Å²	61	81.2 Å²	81.2	50%	0.504	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-28	173.1	0	0	0	0	0	112.6	V283 R284	V283-A287 VanDerWaalsContact O-CB 3.22Å; V283-A287 WeakPolarHBondContact O-CB 3.09Å; V283-A287 PolarHBondContact O-N 3.31Å; R284-A287 PolarHBondContact O-N 2.9Å
288	Y	36.9	Very low	45.1	Very low	152 Å²	152	79.7 Å²	79.7	60%	0.596	42%	0.416	S	S	*	.	H	α-helix	trans	-79.3	-19	172.6	-78.4	-62.4	0	0	0	113.9	R284 T285 N286	R284-Y288 HydrophobicContact CG-CD2 3.98Å; R284-Y288 HydrophobicContact CG-CE2 3.58Å; R284-Y288 WeakPolarHBondContact O-CD2 3.1Å; R284-Y288 PolarHBondContact O-N 3.12Å; R284-Y288 VanDerWaalsContact O-N 3.08Å; T285-Y288 PolarHBondContact O-N 2.7Å; N286-Y288 VanDerWaalsContact C-N 3.25Å; N286-Y288 PolarHBondContact O-N 3.41Å
289	R	37.7	Very low	45.4	Very low	125 Å²	125	80.2 Å²	80.2	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-95.7	-33.8	-178.9	-79.2	-173.6	176.6	-165.8	-5.4	114.4	S241 T285 N286	S241-R289 PolarHBondContact O-NH1 2.65Å; S241-R289 VanDerWaalsContact O-NH1 3.11Å; S241-R289 PolarHBondContact O-NH2 3.07Å; S241-R289 PolarHBondContact OG-NH2 3.03Å; T285-R289 PolarHBondContact O-N 3.36Å; N286-R289 PolarHBondContact O-N 2.83Å; N286-R289 VanDerWaalsContact O-N 3.15Å
290	N	35.7	Very low	45.8	Very low	85 Å²	85	82.3 Å²	82.3	46%	0.455	44%	0.437	S	S	.	.			trans	-112.8	93.6	-177.4	-68.2	-4.7	0	0	0	109.5	N286 E292	N286-N290 PolarHBondContact O-N 2.86Å; N290-E292 PolarHBondContact O-N 2.93Å
291	T	44.7	Very low	45.9	Very low	125 Å²	125	82.6 Å²	82.6	77%	0.767	44%	0.438	S	S	*	.	S	Bend	trans	-65.6	-14.9	173.5	39	0	0	0	0	113.2
292	E	44.8	Very low	46.4	Very low	178 Å²	178	83.6 Å²	83.6	83%	0.832	45%	0.446	S	S	*	.	S	Bend	trans	-109.1	-14.5	-168.2	-61.9	-172	169	0	0	115.1	N290	N290-E292 PolarHBondContact O-N 2.93Å
293	D	45.7	Very low	47.3	Very low	103 Å²	103	85.7 Å²	85.7	55%	0.551	45%	0.453	S	S	*	.			trans	-118.1	36.3	-176.8	-90.9	-27.4	0	0	0	114	S295 N297	D293-S295 VanDerWaalsContact C-N 3.32Å; D293-S295 PolarHBondContact O-N 3.31Å; D293-N297 PolarHBondContact O-ND2 3.48Å
294	S	43.2	Very low	47.9	Very low	88 Å²	88	90 Å²	90	62%	0.615	47%	0.465	S	S	*	.	H	α-helix	trans	-70	-22.7	-175.9	61.3	0	0	0	0	114.4
295	S	42.6	Very low	48.4	Very low	81 Å²	81	88 Å²	88	57%	0.566	46%	0.458	S	S	*	.	H	α-helix	trans	-75.6	-41.2	-175.4	61.9	0	0	0	0	112.9	D293 N297 S298	D293-S295 VanDerWaalsContact C-N 3.32Å; D293-S295 PolarHBondContact O-N 3.31Å; S295-N297 VanDerWaalsContact C-N 3.33Å; S295-N297 PolarHBondContact O-N 3.37Å; S295-S298 PolarHBondContact O-N 3.2Å; S295-S298 PolarHBondContact O-OG 3.33Å
296	F	40	Very low	49.5	Very low	142 Å²	142	92.7 Å²	92.7	62%	0.623	48%	0.477	S	S	*	.	H	α-helix	trans	-71.1	-28.4	-176.1	-142.1	-94.2	0	0	0	113	S298	F296-S298 VanDerWaalsContact C-N 3.33Å
297	N	53.3	Low	50.8	Low	65 Å²	65	91 Å²	91	35%	0.348	47%	0.471	S	S	.	.	H	α-helix	trans	-71.3	-26.9	175.8	-76	-36.1	0	0	0	112.8	D293 S295 L301	D293-N297 PolarHBondContact O-ND2 3.48Å; S295-N297 VanDerWaalsContact C-N 3.33Å; S295-N297 PolarHBondContact O-N 3.37Å; N297-L301 VanDerWaalsContact O-CB 3.27Å; N297-L301 WeakPolarHBondContact O-CB 2.96Å; N297-L301 PolarHBondContact O-N 2.99Å
298	S	51	Low	51.7	Low	18 Å²	18	88.3 Å²	88.3	13%	0.126	45%	0.448	C	S	.	.	H	α-helix	trans	-70.5	-43	-174.3	70.6	0	0	0	0	114.1	S295 F296 L301 V302 K343	S295-S298 PolarHBondContact O-N 3.2Å; S295-S298 PolarHBondContact O-OG 3.33Å; F296-S298 VanDerWaalsContact C-N 3.33Å; S298-L301 PolarHBondContact O-N 3.01Å; S298-V302 WeakPolarHBondContact O-CG2 3.34Å; S298-V302 PolarHBondContact O-N 2.91Å; S298-V302 VanDerWaalsContact O-N 3.08Å; S298-K343 VanDerWaalsContact OG-CE 3.31Å; S298-K343 WeakPolarHBondContact OG-CE 3.26Å; S298-K343 PolarHBondContact OG-NZ 2.7Å; S298-K343 VanDerWaalsContact OG-NZ 3.13Å
299	A	54.5	Low	52.8	Low	67 Å²	67	81.7 Å²	81.7	55%	0.554	42%	0.424	S	S	*	.	H	α-helix	trans	-68.4	-44.3	-179.6	0	0	0	0	0	111.9	L301 V302 E303	A299-L301 VanDerWaalsContact C-N 3.3Å; A299-L301 PolarHBondContact O-N 3.49Å; A299-V302 PolarHBondContact O-N 2.95Å; A299-E303 PolarHBondContact O-N 3.43Å
300	K	60.4	Low	54.4	Low	105 Å²	105	84 Å²	84	46%	0.457	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-37.5	174.6	-71.7	-176.8	178.1	179.6	0	111.9	R304	K300-R304 WeakPolarHBondContact O-CB 3.28Å; K300-R304 VanDerWaalsContact O-CG 3.22Å; K300-R304 WeakPolarHBondContact O-CG 3.44Å; K300-R304 PolarHBondContact O-N 3.01Å
301	L	55.7	Low	56	Low	18 Å²	18	85.2 Å²	85.2	9%	0.094	43%	0.43	C	S	.	.	H	α-helix	trans	-63.5	-45.9	175.7	-164.6	78.2	0	0	0	112	V283 N297 S298 A299 E303 R304 H305 L339 I340	V283-L301 HydrophobicContact CB-CD1 3.85Å; V283-L301 HydrophobicContact CG1-CD1 3.59Å; V283-L301 HydrophobicContact CG1-CD2 4.35Å; V283-L301 HydrophobicContact CG2-CD1 3.37Å; N297-L301 VanDerWaalsContact O-CB 3.27Å; N297-L301 WeakPolarHBondContact O-CB 2.96Å; N297-L301 PolarHBondContact O-N 2.99Å; S298-L301 PolarHBondContact O-N 3.01Å; A299-L301 VanDerWaalsContact C-N 3.3Å; A299-L301 PolarHBondContact O-N 3.49Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 2.85Å; L301-R304 PolarHBondContact O-N 3.19Å; L301-H305 VanDerWaalsContact O-CB 3.32Å; L301-H305 WeakPolarHBondContact O-CB 3.44Å; L301-H305 PolarHBondContact O-N 2.82Å; L301-L339 HydrophobicContact CD2-CB 4.4Å; L301-I340 HydrophobicContact CD2-CG1 4.46Å
302	V	57.6	Low	56.8	Low	44 Å²	44	79.4 Å²	79.4	27%	0.267	40%	0.395	S	S	.	.	H	α-helix	trans	-60.3	-45.5	178.9	174	0	0	0	0	110.5	S298 A299 H305 K306 I340	S298-V302 WeakPolarHBondContact O-CG2 3.34Å; S298-V302 PolarHBondContact O-N 2.91Å; S298-V302 VanDerWaalsContact O-N 3.08Å; A299-V302 PolarHBondContact O-N 2.95Å; V302-H305 PolarHBondContact O-N 3.36Å; V302-K306 HydrophobicContact CG1-CD 4.38Å; V302-K306 WeakPolarHBondContact O-CG 3.41Å; V302-K306 PolarHBondContact O-N 3.17Å; V302-I340 HydrophobicContact CB-CD1 4.48Å; V302-I340 HydrophobicContact CG2-CD1 3.5Å; V302-I340 VanDerWaalsContact CG2-CD1 3.5Å; V302-I340 HydrophobicContact CG2-CG1 3.87Å; V302-I340 HydrophobicContact CG2-CG2 4.44Å
303	E	64.4	Low	57.8	Low	142 Å²	142	75.1 Å²	75.1	66%	0.664	37%	0.373	S	S	*	.	H	α-helix	trans	-66.6	-44.1	179.9	-169.4	175.4	-167.4	0	0	112.1	A299 L301 H305 K306 S307	A299-E303 PolarHBondContact O-N 3.43Å; L301-E303 VanDerWaalsContact C-N 3.33Å; L301-E303 PolarHBondContact O-N 2.85Å; E303-H305 VanDerWaalsContact C-N 3.34Å; E303-H305 PolarHBondContact O-N 3.28Å; E303-K306 PolarHBondContact O-N 2.82Å; E303-S307 PolarHBondContact O-N 3.44Å
304	R	61.7	Low	59	Low	128 Å²	128	74 Å²	74	48%	0.483	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-41.9	174.4	-76	178.9	-177.7	-177.6	-0.6	112.2	K300 L301 S307 F308	K300-R304 WeakPolarHBondContact O-CB 3.28Å; K300-R304 VanDerWaalsContact O-CG 3.22Å; K300-R304 WeakPolarHBondContact O-CG 3.44Å; K300-R304 PolarHBondContact O-N 3.01Å; L301-R304 PolarHBondContact O-N 3.19Å; R304-S307 WeakPolarHBondContact O-CB 3.07Å; R304-S307 PolarHBondContact O-N 3.06Å; R304-F308 WeakPolarHBondContact O-CB 3.38Å; R304-F308 PolarHBondContact O-N 2.84Å
305	H	59	Low	59.9	Low	16 Å²	16	71.4 Å²	71.4	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-44.2	175.7	-178	69.3	0	0	0	111.7	H276 L301 V302 E303 S307 F308 V309 T336	H276-H305 AromaticContact CE1-ND1 3.56Å; H276-H305 AromaticContact NE2-ND1 3.57Å; L301-H305 VanDerWaalsContact O-CB 3.32Å; L301-H305 WeakPolarHBondContact O-CB 3.44Å; L301-H305 PolarHBondContact O-N 2.82Å; V302-H305 PolarHBondContact O-N 3.36Å; E303-H305 VanDerWaalsContact C-N 3.34Å; E303-H305 PolarHBondContact O-N 3.28Å; H305-S307 VanDerWaalsContact C-N 3.28Å; H305-S307 PolarHBondContact O-N 2.92Å; H305-F308 PolarHBondContact O-N 3.03Å; H305-V309 VanDerWaalsContact CE1-CG2 3.49Å; H305-V309 WeakPolarHBondContact CE1-CG2 3.43Å; H305-V309 WeakPolarHBondContact NE2-CG2 3.4Å; H305-V309 WeakPolarHBondContact O-CG2 3.41Å; H305-V309 PolarHBondContact O-N 2.93Å; H305-T336 HydrophobicContact CB-CG2 3.61Å; H305-T336 VanDerWaalsContact CD2-CG2 3.42Å; H305-T336 WeakPolarHBondContact CD2-CG2 3.35Å; H305-T336 PolarHBondContact CE1-OG1 3.11Å; H305-T336 PolarHBondContact ND1-OG1 2.88Å; H305-T336 PolarHBondContact NE2-OG1 3.07Å
306	K	66.2	Low	60.6	Low	124 Å²	124	67.7 Å²	67.7	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-57	-42.5	173.2	-75.6	176.2	180	179.7	0	111.7	V302 E303 R310	V302-K306 HydrophobicContact CG1-CD 4.38Å; V302-K306 WeakPolarHBondContact O-CG 3.41Å; V302-K306 PolarHBondContact O-N 3.17Å; E303-K306 PolarHBondContact O-N 2.82Å; K306-R310 VanDerWaalsContact O-CG 3.29Å; K306-R310 WeakPolarHBondContact O-CG 3.37Å; K306-R310 PolarHBondContact O-N 2.64Å
307	S	67.2	Low	61.9	Low	45 Å²	45	68.7 Å²	68.7	32%	0.315	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.5	171.4	0	0	0	0	112.4	E303 R304 H305 R310 R311	E303-S307 PolarHBondContact O-N 3.44Å; R304-S307 WeakPolarHBondContact O-CB 3.07Å; R304-S307 PolarHBondContact O-N 3.06Å; H305-S307 VanDerWaalsContact C-N 3.28Å; H305-S307 PolarHBondContact O-N 2.92Å; S307-R310 PolarHBondContact O-N 3.23Å; S307-R311 PolarHBondContact O-N 3.38Å; S307-R311 PolarHBondContact OG-NE 3.07Å; S307-R311 PolarHBondContact OG-NH2 2.69Å
308	F	63.9	Low	62.4	Low	3 Å²	3	70.8 Å²	70.8	1%	0.013	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-48.2	175.5	164.5	-105.6	0	0	0	111.7	L272 L273 H276 R304 H305 R310 R311 L312 L332	L272-F308 HydrophobicContact CD1-CD2 4.11Å; L272-F308 HydrophobicContact CD2-CD2 4.26Å; L272-F308 HydrophobicContact CD2-CE2 4.14Å; L272-F308 HydrophobicContact CG-CD2 3.84Å; L272-F308 HydrophobicContact CG-CE2 3.79Å; L272-F308 WeakPolarHBondContact O-CE2 3.35Å; L273-F308 HydrophobicContact CD2-CZ 4.13Å; H276-F308 HydrophobicContact CB-CD1 4.23Å; H276-F308 HydrophobicContact CB-CD2 3.41Å; H276-F308 VanDerWaalsContact CB-CD2 3.41Å; H276-F308 HydrophobicContact CB-CE1 4.09Å; H276-F308 HydrophobicContact CB-CE2 3.26Å; H276-F308 HydrophobicContact CB-CG 3.89Å; H276-F308 HydrophobicContact CB-CZ 3.63Å; H276-F308 AromaticContact CD2-CD1 3.42Å; H276-F308 VanDerWaalsContact CD2-CD1 3.42Å; H276-F308 WeakPolarHBondContact CD2-CD1 3.48Å; H276-F308 AromaticContact CD2-CE1 3.11Å; H276-F308 WeakPolarHBondContact CD2-CE1 3.2Å; H276-F308 AromaticContact CD2-CE2 3.99Å; H276-F308 AromaticContact CD2-CG 3.96Å; H276-F308 AromaticContact CD2-CZ 3.43Å; H276-F308 VanDerWaalsContact CD2-CZ 3.43Å; H276-F308 WeakPolarHBondContact CD2-CZ 3.21Å; H276-F308 AromaticContact CE1-CD1 3.43Å; H276-F308 VanDerWaalsContact CE1-CD1 3.43Å; H276-F308 WeakPolarHBondContact CE1-CD1 3.33Å; H276-F308 AromaticContact CE1-CE1 3.95Å; H276-F308 AromaticContact CE1-CG 3.79Å; H276-F308 AromaticContact CG-CD1 3.45Å; H276-F308 VanDerWaalsContact CG-CD1 3.45Å; H276-F308 AromaticContact CG-CD2 3.56Å; H276-F308 AromaticContact CG-CE1 3.47Å; H276-F308 VanDerWaalsContact CG-CE1 3.47Å; H276-F308 AromaticContact CG-CE2 3.6Å; H276-F308 AromaticContact CG-CG 3.47Å; H276-F308 VanDerWaalsContact CG-CG 3.47Å; H276-F308 AromaticContact CG-CZ 3.55Å; H276-F308 AromaticContact ND1-CD1 3.46Å; H276-F308 WeakPolarHBondContact ND1-CD1 3.35Å; H276-F308 AromaticContact ND1-CD2 3.85Å; H276-F308 AromaticContact ND1-CE1 3.97Å; H276-F308 AromaticContact ND1-CG 3.36Å; H276-F308 WeakPolarHBondContact ND1-CG 3.25Å; H276-F308 AromaticContact NE2-CD1 3.39Å; H276-F308 WeakPolarHBondContact NE2-CD1 3.32Å; H276-F308 AromaticContact NE2-CE1 3.44Å; H276-F308 WeakPolarHBondContact NE2-CE1 3.43Å; R304-F308 WeakPolarHBondContact O-CB 3.38Å; R304-F308 PolarHBondContact O-N 2.84Å; H305-F308 PolarHBondContact O-N 3.03Å; F308-R310 VanDerWaalsContact C-N 3.28Å; F308-R310 PolarHBondContact O-N 2.74Å; F308-R311 PolarHBondContact O-N 2.78Å; F308-R311 VanDerWaalsContact O-N 3.15Å; F308-L312 HydrophobicContact CE1-CD2 4.08Å; F308-L312 HydrophobicContact CE2-CB 4.47Å; F308-L312 HydrophobicContact CZ-CB 4.44Å; F308-L312 HydrophobicContact CZ-CD1 4.34Å; F308-L312 HydrophobicContact CZ-CD2 4Å; F308-L312 HydrophobicContact CZ-CG 4.49Å; F308-L312 VanDerWaalsContact O-CB 3.24Å; F308-L312 WeakPolarHBondContact O-CB 3.04Å; F308-L312 PolarHBondContact O-N 2.93Å; F308-L332 HydrophobicContact CE1-CD1 3.73Å; F308-L332 HydrophobicContact CE1-CD2 4.06Å; F308-L332 HydrophobicContact CE1-CG 4.41Å; F308-L332 HydrophobicContact CZ-CD1 4.05Å; F308-L332 HydrophobicContact CZ-CD2 4.47Å
309	V	60.6	Low	62.6	Low	14 Å²	14	71.2 Å²	71.2	9%	0.085	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-38.1	178.1	171.4	0	0	0	0	111.5	H305 L312 K313 Q329	H305-V309 VanDerWaalsContact CE1-CG2 3.49Å; H305-V309 WeakPolarHBondContact CE1-CG2 3.43Å; H305-V309 WeakPolarHBondContact NE2-CG2 3.4Å; H305-V309 WeakPolarHBondContact O-CG2 3.41Å; H305-V309 PolarHBondContact O-N 2.93Å; V309-L312 PolarHBondContact O-N 2.86Å; V309-K313 WeakPolarHBondContact O-CG 3.5Å; V309-K313 PolarHBondContact O-N 3.49Å; V309-Q329 HydrophobicContact CG1-CG 4.44Å
310	R	71.1	Confident	62.7	Low	174 Å²	174	75.7 Å²	75.7	66%	0.657	35%	0.35	S	S	*	.	H	α-helix	trans	-62.6	-49.1	174.3	-74.4	173.1	-173.2	162.8	0.7	111.7	K306 S307 F308 L312 K313 V314	K306-R310 VanDerWaalsContact O-CG 3.29Å; K306-R310 WeakPolarHBondContact O-CG 3.37Å; K306-R310 PolarHBondContact O-N 2.64Å; S307-R310 PolarHBondContact O-N 3.23Å; F308-R310 VanDerWaalsContact C-N 3.28Å; F308-R310 PolarHBondContact O-N 2.74Å; R310-L312 VanDerWaalsContact C-N 3.29Å; R310-L312 PolarHBondContact O-N 2.98Å; R310-K313 PolarHBondContact O-N 3.48Å; R310-V314 WeakPolarHBondContact O-CG2 3.47Å; R310-V314 PolarHBondContact O-N 2.66Å
311	R	68.1	Low	62.4	Low	109 Å²	109	73 Å²	73	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-37.8	177.1	-73.7	-176.9	-81.5	172.7	-2.2	111.9	L272 S307 F308 K313 V314 E315	L272-R311 HydrophobicContact CD1-CB 3.58Å; L272-R311 HydrophobicContact CD1-CG 4.4Å; L272-R311 VanDerWaalsContact CD2-C 3.43Å; L272-R311 HydrophobicContact CD2-CB 3.8Å; L272-R311 HydrophobicContact CG-CB 4.35Å; S307-R311 PolarHBondContact O-N 3.38Å; S307-R311 PolarHBondContact OG-NE 3.07Å; S307-R311 PolarHBondContact OG-NH2 2.69Å; F308-R311 PolarHBondContact O-N 2.78Å; F308-R311 VanDerWaalsContact O-N 3.15Å; R311-K313 PolarHBondContact O-N 3.13Å; R311-V314 WeakPolarHBondContact O-CB 3.44Å; R311-V314 PolarHBondContact O-N 3.41Å; R311-V314 VanDerWaalsContact O-N 3.09Å; R311-E315 PolarHBondContact O-N 2.72Å
312	L	62.9	Low	62.3	Low	3 Å²	3	76.6 Å²	76.6	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-64.2	-44.2	179.5	-177.9	69.4	0	0	0	110.3	L269 L272 L273 F308 V309 R310 V314 E315 L316 L328 L332	L269-L312 HydrophobicContact CD1-CD1 3.52Å; L272-L312 HydrophobicContact CD2-CB 3.79Å; L272-L312 HydrophobicContact CD2-CD1 4.08Å; L273-L312 HydrophobicContact CD2-CD1 4.13Å; L273-L312 HydrophobicContact CG-CD1 4.48Å; F308-L312 HydrophobicContact CE1-CD2 4.08Å; F308-L312 HydrophobicContact CE2-CB 4.47Å; F308-L312 HydrophobicContact CZ-CB 4.44Å; F308-L312 HydrophobicContact CZ-CD1 4.34Å; F308-L312 HydrophobicContact CZ-CD2 4Å; F308-L312 HydrophobicContact CZ-CG 4.49Å; F308-L312 VanDerWaalsContact O-CB 3.24Å; F308-L312 WeakPolarHBondContact O-CB 3.04Å; F308-L312 PolarHBondContact O-N 2.93Å; V309-L312 PolarHBondContact O-N 2.86Å; R310-L312 VanDerWaalsContact C-N 3.29Å; R310-L312 PolarHBondContact O-N 2.98Å; L312-V314 PolarHBondContact O-N 3.27Å; L312-E315 PolarHBondContact O-N 2.54Å; L312-L316 HydrophobicContact CD1-CD1 3.87Å; L312-L316 HydrophobicContact CD1-CG 3.97Å; L312-L316 HydrophobicContact CD2-CD1 4.13Å; L312-L316 HydrophobicContact CG-CD1 3.55Å; L312-L316 HydrophobicContact CG-CG 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 WeakPolarHBondContact O-CG 3.4Å; L312-L316 PolarHBondContact O-N 3.11Å; L312-L328 HydrophobicContact CD1-CD2 4.24Å; L312-L328 HydrophobicContact CD2-CD2 4.21Å; L312-L332 HydrophobicContact CD2-CD1 3.22Å
313	K	64.6	Low	62.2	Low	88 Å²	88	78.5 Å²	78.5	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-58.3	-36.6	172.9	-74.8	176.3	179.6	-174.1	0	112.8	V309 R310 R311 K317 Q329	V309-K313 WeakPolarHBondContact O-CG 3.5Å; V309-K313 PolarHBondContact O-N 3.49Å; R310-K313 PolarHBondContact O-N 3.48Å; R311-K313 PolarHBondContact O-N 3.13Å; K313-K317 WeakPolarHBondContact O-CB 3.27Å; K313-K317 VanDerWaalsContact O-CG 3.23Å; K313-K317 WeakPolarHBondContact O-CG 3.26Å; K313-K317 PolarHBondContact O-N 3.25Å; K313-K317 VanDerWaalsContact O-N 3.11Å; K313-Q329 VanDerWaalsContact CE-CD 3.43Å; K313-Q329 VanDerWaalsContact CE-NE2 3.33Å; K313-Q329 VanDerWaalsContact CE-OE1 3.23Å
314	V	70.9	Confident	61.7	Low	80 Å²	80	72 Å²	72	49%	0.485	35%	0.348	S	S	.	.	H	α-helix	trans	-69.9	-48.3	178.9	173.8	0	0	0	0	111	R310 R311 L312 K317	R310-V314 WeakPolarHBondContact O-CG2 3.47Å; R310-V314 PolarHBondContact O-N 2.66Å; R311-V314 WeakPolarHBondContact O-CB 3.44Å; R311-V314 PolarHBondContact O-N 3.41Å; R311-V314 VanDerWaalsContact O-N 3.09Å; L312-V314 PolarHBondContact O-N 3.27Å; V314-K317 PolarHBondContact O-N 3.45Å
315	E	61.3	Low	61.3	Low	33 Å²	33	67.4 Å²	67.4	15%	0.154	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-37.6	179.7	-66.5	-49.2	131	0	0	112.4	N268 L269 L272 R311 L312 K317 K318 C319	N268-E315 VanDerWaalsContact CB-CD 3.49Å; N268-E315 HydrophobicContact CB-CG 4.07Å; N268-E315 WeakPolarHBondContact CB-OE2 3.1Å; L269-E315 HydrophobicContact CB-CB 4.3Å; L269-E315 HydrophobicContact CD1-CB 4.24Å; L272-E315 HydrophobicContact CD2-CG 4.37Å; R311-E315 PolarHBondContact O-N 2.72Å; L312-E315 PolarHBondContact O-N 2.54Å; E315-K317 PolarHBondContact O-N 3.43Å; E315-K318 WeakPolarHBondContact O-CB 3.4Å; E315-K318 PolarHBondContact O-N 3.14Å; E315-K318 VanDerWaalsContact O-N 3.14Å; E315-K318 IonicContact OE1-NZ 3.48Å; E315-K318 PolarHBondContact OE1-NZ 2.87Å; E315-K318 WeakPolarHBondContact OE2-CD 3.36Å; E315-K318 IonicContact OE2-NZ 3.62Å; E315-K318 PolarHBondContact OE2-NZ 3.48Å; E315-C319 PolarHBondContact O-SG 2.98Å; E315-C319 VanDerWaalsContact O-SG 3.36Å
316	L	58.8	Low	61.4	Low	3 Å²	3	72.6 Å²	72.6	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-68.7	-32.1	177	-73.4	175.9	0	0	0	113.3	L269 L312 K318 C319 L325 L328 M367	L269-L316 HydrophobicContact CD1-CD2 3.54Å; L269-L316 HydrophobicContact CD1-CG 3.81Å; L269-L316 HydrophobicContact CD2-CD2 3.82Å; L269-L316 HydrophobicContact CG-CD2 4.34Å; L312-L316 HydrophobicContact CD1-CD1 3.87Å; L312-L316 HydrophobicContact CD1-CG 3.97Å; L312-L316 HydrophobicContact CD2-CD1 4.13Å; L312-L316 HydrophobicContact CG-CD1 3.55Å; L312-L316 HydrophobicContact CG-CG 4.07Å; L312-L316 WeakPolarHBondContact O-CB 3.33Å; L312-L316 WeakPolarHBondContact O-CG 3.4Å; L312-L316 PolarHBondContact O-N 3.11Å; L316-K318 PolarHBondContact O-N 3.44Å; L316-C319 WeakPolarHBondContact O-CB 3.41Å; L316-C319 PolarHBondContact O-N 2.9Å; L316-L325 HydrophobicContact CB-CD1 3.97Å; L316-L325 HydrophobicContact CB-CD2 3.33Å; L316-L325 HydrophobicContact CB-CG 3.56Å; L316-L325 HydrophobicContact CD1-CD2 3.41Å; L316-L325 VanDerWaalsContact CD1-CD2 3.41Å; L316-L325 HydrophobicContact CD1-CG 3.84Å; L316-L325 HydrophobicContact CD2-CG 4.46Å; L316-L325 HydrophobicContact CG-CD2 3.99Å; L316-L325 HydrophobicContact CG-CG 4.18Å; L316-L328 HydrophobicContact CD1-CD2 4.14Å; L316-L328 HydrophobicContact CD2-CD2 4.36Å; L316-M367 HydrophobicContact CD2-CE 3.5Å; L316-M367 VanDerWaalsContact CD2-CE 3.5Å
317	K	66.8	Low	61.2	Low	163 Å²	163	70.4 Å²	70.4	71%	0.709	35%	0.351	S	S	*	.	H	α-helix	trans	-59.8	-22.7	171.7	-85.5	177.9	178.9	-169.8	0	112.8	K313 V314 E315 C319	K313-K317 WeakPolarHBondContact O-CB 3.27Å; K313-K317 VanDerWaalsContact O-CG 3.23Å; K313-K317 WeakPolarHBondContact O-CG 3.26Å; K313-K317 PolarHBondContact O-N 3.25Å; K313-K317 VanDerWaalsContact O-N 3.11Å; V314-K317 PolarHBondContact O-N 3.45Å; E315-K317 PolarHBondContact O-N 3.43Å; K317-C319 VanDerWaalsContact C-N 3.27Å
318	K	63.1	Low	60.6	Low	110 Å²	110	68.3 Å²	68.3	48%	0.478	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.3	175.7	-54.4	173	-172.9	169	0	113.1	E315 L316	E315-K318 WeakPolarHBondContact O-CB 3.4Å; E315-K318 PolarHBondContact O-N 3.14Å; E315-K318 VanDerWaalsContact O-N 3.14Å; E315-K318 IonicContact OE1-NZ 3.48Å; E315-K318 PolarHBondContact OE1-NZ 2.87Å; E315-K318 WeakPolarHBondContact OE2-CD 3.36Å; E315-K318 IonicContact OE2-NZ 3.62Å; E315-K318 PolarHBondContact OE2-NZ 3.48Å; L316-K318 PolarHBondContact O-N 3.44Å
319	C	55	Low	60.4	Low	26 Å²	26	70.4 Å²	70.4	18%	0.176	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	4.2	-175.5	-56.2	0	0	0	0	113.9	H266 E315 L316 K317 D321	H266-C319 VanDerWaalsContact CE1-SG 3.59Å; H266-C319 PolarHBondContact ND1-SG 3.5Å; E315-C319 PolarHBondContact O-SG 2.98Å; E315-C319 VanDerWaalsContact O-SG 3.36Å; L316-C319 WeakPolarHBondContact O-CB 3.41Å; L316-C319 PolarHBondContact O-N 2.9Å; K317-C319 VanDerWaalsContact C-N 3.27Å; C319-D321 PolarHBondContact O-N 3.21Å
320	D	57.1	Low	60.6	Low	162 Å²	162	73.2 Å²	73.2	87%	0.866	36%	0.363	S	S	*	.	S	Bend	trans	50.3	5.9	177.4	-68.9	-21.5	0	0	0	117.8
321	D	55.5	Low	60	Low	48 Å²	48	65.2 Å²	65.2	26%	0.257	33%	0.334	S	S	.	.			trans	-119.6	96.6	-178.6	-166.9	-16.4	0	0	0	112	C319 T323 H324 R370	C319-D321 PolarHBondContact O-N 3.21Å; D321-T323 VanDerWaalsContact C-N 3.3Å; D321-T323 PolarHBondContact O-N 2.99Å; D321-T323 PolarHBondContact OD1-N 3.42Å; D321-T323 PolarHBondContact OD1-OG1 3.38Å; D321-H324 IonicContact OD2-CD2 2.99Å; D321-R370 IonicContact OD1-NH1 3.51Å; D321-R370 IonicContact OD2-CZ 3.74Å; D321-R370 IonicContact OD2-NH1 3.28Å; D321-R370 PolarHBondContact OD2-NH1 3.38Å
322	S	52.4	Low	59.5	Low	94 Å²	94	60 Å²	60	66%	0.657	32%	0.315	S	S	*	.	H	α-helix	trans	-71.2	-18.1	-174.5	67.8	0	0	0	0	115.1	L325	S322-L325 VanDerWaalsContact O-CB 3.23Å; S322-L325 WeakPolarHBondContact O-CB 3.38Å
323	T	55.3	Low	59.4	Low	84 Å²	84	62.9 Å²	62.9	52%	0.515	33%	0.33	S	S	.	.	H	α-helix	trans	-73.4	-43.9	-172.5	2.9	0	0	0	0	112.8	D321 L325	D321-T323 VanDerWaalsContact C-N 3.3Å; D321-T323 PolarHBondContact O-N 2.99Å; D321-T323 PolarHBondContact OD1-N 3.42Å; D321-T323 PolarHBondContact OD1-OG1 3.38Å; T323-L325 VanDerWaalsContact C-N 3.3Å; T323-L325 PolarHBondContact O-N 3.4Å
324	H	55.1	Low	59.3	Low	6 Å²	6	60.6 Å²	60.6	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-72.5	-27.9	177.7	-69.7	-42.9	0	0	0	113.6	D321 H326 N327 L328 E366 M367 R370	D321-H324 IonicContact OD2-CD2 2.99Å; H324-H326 PolarHBondContact O-N 3.04Å; H324-N327 PolarHBondContact O-N 3.26Å; H324-L328 VanDerWaalsContact O-CB 3.29Å; H324-L328 WeakPolarHBondContact O-CB 3.5Å; H324-L328 PolarHBondContact O-N 3.04Å; H324-E366 IonicContact CE1-OE1 3.99Å; H324-E366 PolarHBondContact CE1-OE1 3.48Å; H324-E366 VanDerWaalsContact CE1-OE1 3.28Å; H324-E366 IonicContact CE1-OE2 2.89Å; H324-M367 HydrophobicContact CB-CE 4.47Å; H324-M367 HydrophobicContact CB-CG 3.61Å; H324-M367 HydrophobicContact CB-SD 4.03Å; H324-R370 WeakPolarHBondContact NE2-CD 3.47Å; H324-R370 PolarHBondContact NE2-NE 3.44Å; H324-R370 PolarHBondContact NE2-NH1 3.2Å; H324-R370 VanDerWaalsContact NE2-NH1 3.15Å
325	L	52.8	Low	58.4	Low	31 Å²	31	57 Å²	57	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-55.6	-49.5	179.2	-114	155.4	0	0	0	112.5	L316 S322 T323 Q329	L316-L325 HydrophobicContact CB-CD1 3.97Å; L316-L325 HydrophobicContact CB-CD2 3.33Å; L316-L325 HydrophobicContact CB-CG 3.56Å; L316-L325 HydrophobicContact CD1-CD2 3.41Å; L316-L325 VanDerWaalsContact CD1-CD2 3.41Å; L316-L325 HydrophobicContact CD1-CG 3.84Å; L316-L325 HydrophobicContact CD2-CG 4.46Å; L316-L325 HydrophobicContact CG-CD2 3.99Å; L316-L325 HydrophobicContact CG-CG 4.18Å; S322-L325 VanDerWaalsContact O-CB 3.23Å; S322-L325 WeakPolarHBondContact O-CB 3.38Å; T323-L325 VanDerWaalsContact C-N 3.3Å; T323-L325 PolarHBondContact O-N 3.4Å; L325-Q329 VanDerWaalsContact O-CB 3.29Å; L325-Q329 WeakPolarHBondContact O-CB 3.35Å; L325-Q329 PolarHBondContact O-N 3.05Å; L325-Q329 VanDerWaalsContact O-N 3.12Å
326	H	61.5	Low	57.9	Low	125 Å²	125	55.5 Å²	55.5	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-69.6	-42.3	-179.5	-172.8	68.3	0	0	0	111.7	H324 T330	H324-H326 PolarHBondContact O-N 3.04Å; H326-T330 WeakPolarHBondContact O-CB 3.26Å; H326-T330 PolarHBondContact O-N 3.49Å; H326-T330 PolarHBondContact O-OG1 3.33Å
327	N	61.6	Low	57.9	Low	78 Å²	78	57.9 Å²	57.9	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-47.8	179.5	-69.6	-17.4	0	0	0	111.2	H324 Q329 T330 A331 I363	H324-N327 PolarHBondContact O-N 3.26Å; N327-Q329 PolarHBondContact O-N 2.77Å; N327-T330 PolarHBondContact O-N 3.06Å; N327-A331 WeakPolarHBondContact O-CB 3.44Å; N327-A331 PolarHBondContact O-N 2.73Å; N327-I363 VanDerWaalsContact C-CD1 3.48Å; N327-I363 HydrophobicContact CB-CD1 3.9Å; N327-I363 HydrophobicContact CB-CG1 4.16Å; N327-I363 HydrophobicContact CB-CG2 4.36Å; N327-I363 VanDerWaalsContact O-CD1 3.29Å; N327-I363 WeakPolarHBondContact O-CD1 3.32Å
328	L	54.9	Low	57.4	Low	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-45.5	-179.3	-172.8	66.7	0	0	0	110.9	L273 L312 L316 H324 T330 A331 L332 V360 I363 L364 M367	L273-L328 HydrophobicContact CD2-CD2 4.45Å; L312-L328 HydrophobicContact CD1-CD2 4.24Å; L312-L328 HydrophobicContact CD2-CD2 4.21Å; L316-L328 HydrophobicContact CD1-CD2 4.14Å; L316-L328 HydrophobicContact CD2-CD2 4.36Å; H324-L328 VanDerWaalsContact O-CB 3.29Å; H324-L328 WeakPolarHBondContact O-CB 3.5Å; H324-L328 PolarHBondContact O-N 3.04Å; L328-T330 VanDerWaalsContact C-N 3.3Å; L328-T330 PolarHBondContact O-N 2.67Å; L328-A331 PolarHBondContact O-N 2.99Å; L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.48Å; L328-L332 HydrophobicContact CD2-CD1 4.4Å; L328-L332 HydrophobicContact CG-CD1 3.8Å; L328-L332 HydrophobicContact CG-CG 4.47Å; L328-L332 WeakPolarHBondContact O-CB 3.14Å; L328-L332 WeakPolarHBondContact O-CD1 2.92Å; L328-L332 VanDerWaalsContact O-CG 3.28Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 3.07Å; L328-V360 HydrophobicContact CD1-CG1 4.25Å; L328-I363 HydrophobicContact CB-CG2 3.74Å; L328-I363 HydrophobicContact CD1-CB 4.26Å; L328-I363 HydrophobicContact CD1-CG2 3.92Å; L328-I363 HydrophobicContact CG-CG2 4.4Å; L328-L364 HydrophobicContact CD1-CD2 3.87Å; L328-L364 HydrophobicContact CD1-CG 4.02Å; L328-L364 HydrophobicContact CD2-CD2 4.37Å; L328-M367 HydrophobicContact CD2-SD 3.84Å
329	Q	59.2	Low	56.8	Low	48 Å²	48	49.4 Å²	49.4	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-42.6	176.4	-173.5	-174.5	-27.9	0	0	111.5	V309 K313 L325 N327 N333	V309-Q329 HydrophobicContact CG1-CG 4.44Å; K313-Q329 VanDerWaalsContact CE-CD 3.43Å; K313-Q329 VanDerWaalsContact CE-NE2 3.33Å; K313-Q329 VanDerWaalsContact CE-OE1 3.23Å; L325-Q329 VanDerWaalsContact O-CB 3.29Å; L325-Q329 WeakPolarHBondContact O-CB 3.35Å; L325-Q329 PolarHBondContact O-N 3.05Å; L325-Q329 VanDerWaalsContact O-N 3.12Å; N327-Q329 PolarHBondContact O-N 2.77Å; Q329-N333 WeakPolarHBondContact O-CB 3.08Å; Q329-N333 PolarHBondContact O-N 2.93Å; Q329-N333 PolarHBondContact O-ND2 3.43Å
330	T	65.1	Low	56.6	Low	72 Å²	72	50.5 Å²	50.5	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-43.4	179.6	-55.4	0	0	0	0	111.4	H326 N327 L328 N333 D334	H326-T330 WeakPolarHBondContact O-CB 3.26Å; H326-T330 PolarHBondContact O-N 3.49Å; H326-T330 PolarHBondContact O-OG1 3.33Å; N327-T330 PolarHBondContact O-N 3.06Å; L328-T330 VanDerWaalsContact C-N 3.3Å; L328-T330 PolarHBondContact O-N 2.67Å; T330-N333 PolarHBondContact O-N 3.11Å; T330-D334 WeakPolarHBondContact O-CB 3.44Å; T330-D334 PolarHBondContact O-N 2.81Å
331	A	58.4	Low	56.3	Low	6 Å²	6	49.1 Å²	49.1	5%	0.05	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-39.2	178.2	0	0	0	0	0	112.7	N327 L328 D334 V335 K359 V360 I363	N327-A331 WeakPolarHBondContact O-CB 3.44Å; N327-A331 PolarHBondContact O-N 2.73Å; L328-A331 PolarHBondContact O-N 2.99Å; A331-D334 WeakPolarHBondContact O-CB 3.46Å; A331-D334 PolarHBondContact O-N 3.06Å; A331-V335 WeakPolarHBondContact O-CG2 3.17Å; A331-V335 PolarHBondContact O-N 3Å; A331-K359 HydrophobicContact CB-CB 4.06Å; A331-V360 VanDerWaalsContact C-CG2 3.45Å; A331-V360 HydrophobicContact CB-CB 4.38Å; A331-V360 HydrophobicContact CB-CG2 3.55Å; A331-V360 WeakPolarHBondContact O-CG2 3.49Å; A331-I363 HydrophobicContact CB-CD1 3.5Å; A331-I363 VanDerWaalsContact CB-CD1 3.5Å
332	L	56.5	Low	56	Low	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-68.4	-39.4	176.2	-74.4	165.4	0	0	0	112.6	F308 L312 L328 D334 V335 T336 V360	F308-L332 HydrophobicContact CE1-CD1 3.73Å; F308-L332 HydrophobicContact CE1-CD2 4.06Å; F308-L332 HydrophobicContact CE1-CG 4.41Å; F308-L332 HydrophobicContact CZ-CD1 4.05Å; F308-L332 HydrophobicContact CZ-CD2 4.47Å; L312-L332 HydrophobicContact CD2-CD1 3.22Å; L328-L332 HydrophobicContact CD1-CD1 4.22Å; L328-L332 HydrophobicContact CD1-CG 4.48Å; L328-L332 HydrophobicContact CD2-CD1 4.4Å; L328-L332 HydrophobicContact CG-CD1 3.8Å; L328-L332 HydrophobicContact CG-CG 4.47Å; L328-L332 WeakPolarHBondContact O-CB 3.14Å; L328-L332 WeakPolarHBondContact O-CD1 2.92Å; L328-L332 VanDerWaalsContact O-CG 3.28Å; L328-L332 WeakPolarHBondContact O-CG 3.38Å; L328-L332 PolarHBondContact O-N 3.07Å; L332-D334 VanDerWaalsContact C-N 3.31Å; L332-V335 PolarHBondContact O-N 3.48Å; L332-T336 WeakPolarHBondContact O-CB 3.5Å; L332-T336 PolarHBondContact O-N 2.85Å; L332-T336 PolarHBondContact O-OG1 2.88Å; L332-V360 HydrophobicContact CD2-CG1 3.91Å; L332-V360 HydrophobicContact CD2-CG2 4.04Å; L332-V360 HydrophobicContact CG-CG1 4.37Å; L332-V360 HydrophobicContact CG-CG2 4.16Å
333	N	62.7	Low	55.7	Low	63 Å²	63	54.4 Å²	54.4	34%	0.337	27%	0.272	S	S	.	.	H	α-helix	trans	-59.5	-44.7	171.2	-76.8	-17.3	0	0	0	110.3	Q329 T330 T336 S337	Q329-N333 WeakPolarHBondContact O-CB 3.08Å; Q329-N333 PolarHBondContact O-N 2.93Å; Q329-N333 PolarHBondContact O-ND2 3.43Å; T330-N333 PolarHBondContact O-N 3.11Å; N333-T336 PolarHBondContact O-N 3.41Å; N333-S337 WeakPolarHBondContact O-CB 3.42Å; N333-S337 PolarHBondContact O-N 3.28Å; N333-S337 PolarHBondContact O-OG 3.43Å
334	D	61.3	Low	54.9	Low	39 Å²	39	55.1 Å²	55.1	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-45.3	178.3	-171.2	40.1	0	0	0	112.7	T330 A331 L332 T336 R338 S356	T330-D334 WeakPolarHBondContact O-CB 3.44Å; T330-D334 PolarHBondContact O-N 2.81Å; A331-D334 WeakPolarHBondContact O-CB 3.46Å; A331-D334 PolarHBondContact O-N 3.06Å; L332-D334 VanDerWaalsContact C-N 3.31Å; D334-T336 VanDerWaalsContact C-N 3.28Å; D334-T336 PolarHBondContact O-N 2.88Å; D334-R338 VanDerWaalsContact CG-NE 3.34Å; D334-R338 WeakPolarHBondContact O-CB 3.44Å; D334-R338 VanDerWaalsContact O-CG 3.23Å; D334-R338 WeakPolarHBondContact O-CG 3.48Å; D334-R338 PolarHBondContact O-N 2.89Å; D334-R338 IonicContact OD1-CZ 3.81Å; D334-R338 VanDerWaalsContact OD1-CZ 3.25Å; D334-R338 IonicContact OD1-NE 3.02Å; D334-R338 PolarHBondContact OD1-NE 3.28Å; D334-R338 IonicContact OD1-NH2 3.29Å; D334-R338 PolarHBondContact OD1-NH2 3.05Å; D334-R338 IonicContact OD2-CZ 3.54Å; D334-R338 VanDerWaalsContact OD2-CZ 3.29Å; D334-R338 IonicContact OD2-NE 3.25Å; D334-R338 PolarHBondContact OD2-NE 2.83Å; D334-R338 IonicContact OD2-NH2 2.72Å; D334-R338 PolarHBondContact OD2-NH2 2.98Å; D334-S356 VanDerWaalsContact OD2-CB 3.31Å; D334-S356 WeakPolarHBondContact OD2-CB 3.23Å; D334-S356 PolarHBondContact OD2-OG 3.06Å
335	V	52.5	Low	54	Low	4 Å²	4	62 Å²	62	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-56.8	-44.4	173.8	170.4	0	0	0	0	111.1	A331 L332 R338 L339 S356 M357 V360	A331-V335 WeakPolarHBondContact O-CG2 3.17Å; A331-V335 PolarHBondContact O-N 3Å; L332-V335 PolarHBondContact O-N 3.48Å; V335-R338 PolarHBondContact O-N 3.49Å; V335-L339 HydrophobicContact CG1-CD1 3.86Å; V335-L339 HydrophobicContact CG1-CG 4.49Å; V335-L339 WeakPolarHBondContact O-CB 3.48Å; V335-L339 VanDerWaalsContact O-CG 3.28Å; V335-L339 WeakPolarHBondContact O-CG 3.33Å; V335-L339 PolarHBondContact O-N 2.81Å; V335-S356 VanDerWaalsContact CG2-C 3.45Å; V335-S356 VanDerWaalsContact CG2-CB 3.47Å; V335-M357 HydrophobicContact CG1-CE 3.8Å; V335-M357 HydrophobicContact CG1-CG 4.03Å; V335-M357 HydrophobicContact CG2-CG 3.81Å; V335-V360 HydrophobicContact CG2-CG2 3.63Å
336	T	51.3	Low	53.3	Low	2 Å²	2	68.8 Å²	68.8	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-75.6	-42.4	-174.3	-48	0	0	0	0	111.2	H305 L332 N333 D334 R338 L339 I340	H305-T336 HydrophobicContact CB-CG2 3.61Å; H305-T336 VanDerWaalsContact CD2-CG2 3.42Å; H305-T336 WeakPolarHBondContact CD2-CG2 3.35Å; H305-T336 PolarHBondContact CE1-OG1 3.11Å; H305-T336 PolarHBondContact ND1-OG1 2.88Å; H305-T336 PolarHBondContact NE2-OG1 3.07Å; L332-T336 WeakPolarHBondContact O-CB 3.5Å; L332-T336 PolarHBondContact O-N 2.85Å; L332-T336 PolarHBondContact O-OG1 2.88Å; N333-T336 PolarHBondContact O-N 3.41Å; D334-T336 VanDerWaalsContact C-N 3.28Å; D334-T336 PolarHBondContact O-N 2.88Å; T336-R338 VanDerWaalsContact C-N 3.27Å; T336-R338 PolarHBondContact O-N 3.3Å; T336-L339 PolarHBondContact O-N 3.25Å; T336-I340 HydrophobicContact CG2-CD1 3.66Å; T336-I340 HydrophobicContact CG2-CG1 4.33Å; T336-I340 WeakPolarHBondContact O-CB 3.32Å; T336-I340 WeakPolarHBondContact O-CD1 3.36Å; T336-I340 WeakPolarHBondContact O-CG1 3.42Å; T336-I340 PolarHBondContact O-N 3.14Å
337	S	58.7	Low	52.4	Low	54 Å²	54	72.1 Å²	72.1	38%	0.378	36%	0.358	S	S	.	.	H	α-helix	trans	-53.8	-46.5	171.6	-62.8	0	0	0	0	110.4	N333 L339 I340 E341	N333-S337 WeakPolarHBondContact O-CB 3.42Å; N333-S337 PolarHBondContact O-N 3.28Å; N333-S337 PolarHBondContact O-OG 3.43Å; S337-L339 PolarHBondContact O-N 2.81Å; S337-I340 PolarHBondContact O-N 3.25Å; S337-E341 VanDerWaalsContact O-CB 3.26Å; S337-E341 WeakPolarHBondContact O-CB 3.47Å; S337-E341 VanDerWaalsContact O-CG 3.29Å; S337-E341 WeakPolarHBondContact O-CG 3.29Å; S337-E341 PolarHBondContact O-N 3.09Å
338	R	55.4	Low	51.5	Low	53 Å²	53	75.3 Å²	75.3	20%	0.2	38%	0.375	C	S	.	.	H	α-helix	trans	-70.2	-32.7	179.4	-66.7	175.8	-166.7	-154.6	-1	113.6	D334 V335 T336 R342 D352 V353 S355 S356	D334-R338 VanDerWaalsContact CG-NE 3.34Å; D334-R338 WeakPolarHBondContact O-CB 3.44Å; D334-R338 VanDerWaalsContact O-CG 3.23Å; D334-R338 WeakPolarHBondContact O-CG 3.48Å; D334-R338 PolarHBondContact O-N 2.89Å; D334-R338 IonicContact OD1-CZ 3.81Å; D334-R338 VanDerWaalsContact OD1-CZ 3.25Å; D334-R338 IonicContact OD1-NE 3.02Å; D334-R338 PolarHBondContact OD1-NE 3.28Å; D334-R338 IonicContact OD1-NH2 3.29Å; D334-R338 PolarHBondContact OD1-NH2 3.05Å; D334-R338 IonicContact OD2-CZ 3.54Å; D334-R338 VanDerWaalsContact OD2-CZ 3.29Å; D334-R338 IonicContact OD2-NE 3.25Å; D334-R338 PolarHBondContact OD2-NE 2.83Å; D334-R338 IonicContact OD2-NH2 2.72Å; D334-R338 PolarHBondContact OD2-NH2 2.98Å; V335-R338 PolarHBondContact O-N 3.49Å; T336-R338 VanDerWaalsContact C-N 3.27Å; T336-R338 PolarHBondContact O-N 3.3Å; R338-R342 PolarHBondContact O-N 3.14Å; R338-D352 PolarHBondContact NH1-O 2.7Å; R338-V353 HydrophobicContact CB-CG2 3.81Å; R338-S355 PolarHBondContact NH1-OG 2.74Å; R338-S356 WeakPolarHBondContact CD-OG 3.15Å; R338-S356 PolarHBondContact NE-OG 2.75Å; R338-S356 PolarHBondContact NH1-OG 2.78Å
339	L	49.8	Very low	51	Low	41 Å²	41	78.9 Å²	78.9	22%	0.215	40%	0.395	C	S	.	.	H	α-helix	trans	-68.2	-35.4	171.6	-75	170.3	0	0	0	112	L280 L301 V335 T336 S337 V353 M357	L280-L339 HydrophobicContact CD2-CD1 3.7Å; L301-L339 HydrophobicContact CD2-CB 4.4Å; V335-L339 HydrophobicContact CG1-CD1 3.86Å; V335-L339 HydrophobicContact CG1-CG 4.49Å; V335-L339 WeakPolarHBondContact O-CB 3.48Å; V335-L339 VanDerWaalsContact O-CG 3.28Å; V335-L339 WeakPolarHBondContact O-CG 3.33Å; V335-L339 PolarHBondContact O-N 2.81Å; T336-L339 PolarHBondContact O-N 3.25Å; S337-L339 PolarHBondContact O-N 2.81Å; L339-V353 HydrophobicContact CD2-CG1 4.22Å; L339-V353 HydrophobicContact CG-CG1 4.48Å; L339-M357 HydrophobicContact CD1-CE 4.38Å
340	I	50.8	Low	50.1	Low	49 Å²	49	78.2 Å²	78.2	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-75.3	-40.8	176.3	-65.9	159.5	0	0	0	111.2	L301 V302 T336 S337 R342 K343	L301-I340 HydrophobicContact CD2-CG1 4.46Å; V302-I340 HydrophobicContact CB-CD1 4.48Å; V302-I340 HydrophobicContact CG2-CD1 3.5Å; V302-I340 VanDerWaalsContact CG2-CD1 3.5Å; V302-I340 HydrophobicContact CG2-CG1 3.87Å; V302-I340 HydrophobicContact CG2-CG2 4.44Å; T336-I340 HydrophobicContact CG2-CD1 3.66Å; T336-I340 HydrophobicContact CG2-CG1 4.33Å; T336-I340 WeakPolarHBondContact O-CB 3.32Å; T336-I340 WeakPolarHBondContact O-CD1 3.36Å; T336-I340 WeakPolarHBondContact O-CG1 3.42Å; T336-I340 PolarHBondContact O-N 3.14Å; S337-I340 PolarHBondContact O-N 3.25Å; I340-R342 VanDerWaalsContact C-N 3.25Å; I340-R342 PolarHBondContact O-N 3.01Å; I340-K343 PolarHBondContact O-N 2.85Å
341	E	52.2	Low	48.9	Very low	133 Å²	133	77 Å²	77	62%	0.621	40%	0.402	S	S	*	.	H	α-helix	trans	-71.7	-12.9	-178.7	-79.6	179.7	177.8	0	0	114.1	S337 K343 S344	S337-E341 VanDerWaalsContact O-CB 3.26Å; S337-E341 WeakPolarHBondContact O-CB 3.47Å; S337-E341 VanDerWaalsContact O-CG 3.29Å; S337-E341 WeakPolarHBondContact O-CG 3.29Å; S337-E341 PolarHBondContact O-N 3.09Å; E341-K343 PolarHBondContact O-N 2.73Å; E341-S344 PolarHBondContact O-N 3.27Å
342	R	48.8	Very low	48.3	Very low	105 Å²	105	80.3 Å²	80.3	40%	0.396	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-4.3	167.1	-88.6	-172.6	175.9	-176	0.9	113.9	R338 I340 S344	R338-R342 PolarHBondContact O-N 3.14Å; I340-R342 VanDerWaalsContact C-N 3.25Å; I340-R342 PolarHBondContact O-N 3.01Å; R342-S344 PolarHBondContact O-N 2.74Å; R342-S344 VanDerWaalsContact O-N 3.09Å
343	K	45.3	Very low	47.8	Very low	149 Å²	149	80.8 Å²	80.8	65%	0.648	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-6.5	165.3	-95.5	-174.6	174	177.3	0	117.2	S298 I340 E341	S298-K343 VanDerWaalsContact OG-CE 3.31Å; S298-K343 WeakPolarHBondContact OG-CE 3.26Å; S298-K343 PolarHBondContact OG-NZ 2.7Å; S298-K343 VanDerWaalsContact OG-NZ 3.13Å; I340-K343 PolarHBondContact O-N 2.85Å; E341-K343 PolarHBondContact O-N 2.73Å
344	S	40.2	Very low	46.8	Very low	98 Å²	98	80.1 Å²	80.1	69%	0.685	42%	0.418	S	S	*	.	S	Bend	trans	-143.7	-13.3	-174.2	66.5	0	0	0	0	119.8	E341 R342	E341-S344 PolarHBondContact O-N 3.27Å; R342-S344 PolarHBondContact O-N 2.74Å; R342-S344 VanDerWaalsContact O-N 3.09Å
345	K	35.6	Very low	46.2	Very low	152 Å²	152	80.2 Å²	80.2	66%	0.661	42%	0.421	S	S	*	.			trans	-143.6	81.8	-176.7	-68.5	-174.8	-178.3	174.8	0	112.6	K347	K345-K347 PolarHBondContact O-N 2.82Å; K345-K347 VanDerWaalsContact O-N 3.09Å
346	L	37.8	Very low	46	Very low	172 Å²	172	80 Å²	80	90%	0.901	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	20.2	-170.8	-120.9	153.2	0	0	0	115.8
347	K	42.7	Very low	45.7	Very low	195 Å²	195	81.4 Å²	81.4	85%	0.848	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	-29	-176	-75.3	-174.3	175	179.3	0	117.3	K345	K345-K347 PolarHBondContact O-N 2.82Å; K345-K347 VanDerWaalsContact O-N 3.09Å
348	N	42.7	Very low	45.1	Very low	145 Å²	145	86 Å²	86	78%	0.775	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-7.8	-170.4	-70.1	-11.2	0	0	0	116.9	G350	N348-G350 VanDerWaalsContact C-N 3.34Å; N348-G350 PolarHBondContact O-N 2.92Å
349	N	43.6	Very low	45	Very low	76 Å²	76	88.7 Å²	88.7	41%	0.406	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	30.4	-170.4	-67.1	15.4	0	0	0	114.3	G351	N349-G351 VanDerWaalsContact C-N 3.32Å
350	G	39.9	Very low	45	Very low	34 Å²	34	86.8 Å²	86.8	35%	0.351	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-37.1	173	0	0	0	0	0	112.7	N348 I354	N348-G350 VanDerWaalsContact C-N 3.34Å; N348-G350 PolarHBondContact O-N 2.92Å; G350-I354 WeakPolarHBondContact O-CD1 3.45Å; G350-I354 VanDerWaalsContact O-CG1 3.3Å; G350-I354 WeakPolarHBondContact O-CG1 3.49Å
351	G	40.5	Very low	44.7	Very low	45 Å²	45	84.7 Å²	84.7	46%	0.464	43%	0.43	S	S	.	.	H	α-helix	trans	-67.9	-34	-176.8	0	0	0	0	0	114.4	N349 I354 S355	N349-G351 VanDerWaalsContact C-N 3.32Å; G351-I354 WeakPolarHBondContact O-CB 3.46Å; G351-I354 PolarHBondContact O-N 3.19Å; G351-S355 PolarHBondContact O-N 2.49Å
352	D	46.5	Very low	44.6	Very low	76 Å²	76	81.5 Å²	81.5	41%	0.406	42%	0.422	S	S	.	.	H	α-helix	trans	-68.5	-47.1	-175.7	-66.7	-27.4	0	0	0	111.4	R338 I354 S355 S356	R338-D352 PolarHBondContact NH1-O 2.7Å; D352-I354 PolarHBondContact O-N 3.03Å; D352-S355 PolarHBondContact O-N 3.17Å; D352-S355 VanDerWaalsContact O-N 3.11Å; D352-S355 PolarHBondContact O-OG 2.79Å; D352-S356 PolarHBondContact O-N 2.77Å; D352-S356 VanDerWaalsContact O-N 3.08Å; D352-S356 PolarHBondContact O-OG 2.98Å
353	V	45	Very low	44.8	Very low	12 Å²	12	77.2 Å²	77.2	7%	0.073	41%	0.407	C	S	.	.	H	α-helix	trans	-58.9	-40.3	175.6	179.4	0	0	0	0	110.7	R338 L339 S355 S356 M357	R338-V353 HydrophobicContact CB-CG2 3.81Å; L339-V353 HydrophobicContact CD2-CG1 4.22Å; L339-V353 HydrophobicContact CG-CG1 4.48Å; V353-S355 PolarHBondContact O-N 3.37Å; V353-S356 PolarHBondContact O-N 3.29Å; V353-M357 HydrophobicContact CG1-CE 4.02Å; V353-M357 HydrophobicContact CG1-CG 4.49Å; V353-M357 HydrophobicContact CG1-SD 4.29Å; V353-M357 WeakPolarHBondContact O-CG 3.48Å; V353-M357 PolarHBondContact O-N 2.76Å
354	I	41.7	Very low	45	Very low	49 Å²	49	71.2 Å²	71.2	25%	0.251	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-44.8	176.7	-65.8	166.9	0	0	0	110.4	G350 G351 D352 S356 M357 R358	G350-I354 WeakPolarHBondContact O-CD1 3.45Å; G350-I354 VanDerWaalsContact O-CG1 3.3Å; G350-I354 WeakPolarHBondContact O-CG1 3.49Å; G351-I354 WeakPolarHBondContact O-CB 3.46Å; G351-I354 PolarHBondContact O-N 3.19Å; D352-I354 PolarHBondContact O-N 3.03Å; I354-S356 VanDerWaalsContact C-N 3.33Å; I354-S356 PolarHBondContact O-N 3.48Å; I354-M357 PolarHBondContact O-N 2.86Å; I354-R358 WeakPolarHBondContact O-CG 3.35Å; I354-R358 PolarHBondContact O-N 3.3Å
355	S	49.4	Very low	45.5	Very low	40 Å²	40	71.6 Å²	71.6	28%	0.28	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-36.7	178.9	74.1	0	0	0	0	112.8	R338 G351 D352 V353 R358 K359	R338-S355 PolarHBondContact NH1-OG 2.74Å; G351-S355 PolarHBondContact O-N 2.49Å; D352-S355 PolarHBondContact O-N 3.17Å; D352-S355 VanDerWaalsContact O-N 3.11Å; D352-S355 PolarHBondContact O-OG 2.79Å; V353-S355 PolarHBondContact O-N 3.37Å; S355-R358 WeakPolarHBondContact O-CB 3.34Å; S355-R358 PolarHBondContact O-N 2.63Å; S355-K359 PolarHBondContact O-N 3.11Å; S355-K359 VanDerWaalsContact O-N 3.12Å
356	S	48.6	Very low	46.3	Very low	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-72.7	-39.3	176.9	-54.5	0	0	0	0	112.1	D334 V335 R338 D352 V353 I354 R358 K359 V360	D334-S356 VanDerWaalsContact OD2-CB 3.31Å; D334-S356 WeakPolarHBondContact OD2-CB 3.23Å; D334-S356 PolarHBondContact OD2-OG 3.06Å; V335-S356 VanDerWaalsContact CG2-C 3.45Å; V335-S356 VanDerWaalsContact CG2-CB 3.47Å; R338-S356 WeakPolarHBondContact CD-OG 3.15Å; R338-S356 PolarHBondContact NE-OG 2.75Å; R338-S356 PolarHBondContact NH1-OG 2.78Å; D352-S356 PolarHBondContact O-N 2.77Å; D352-S356 VanDerWaalsContact O-N 3.08Å; D352-S356 PolarHBondContact O-OG 2.98Å; V353-S356 PolarHBondContact O-N 3.29Å; I354-S356 VanDerWaalsContact C-N 3.33Å; I354-S356 PolarHBondContact O-N 3.48Å; S356-R358 VanDerWaalsContact C-N 3.28Å; S356-R358 PolarHBondContact O-N 2.97Å; S356-K359 WeakPolarHBondContact O-CB 3.45Å; S356-K359 PolarHBondContact O-N 3.36Å; S356-K359 VanDerWaalsContact O-N 3.14Å; S356-V360 PolarHBondContact O-N 3Å
357	M	45	Very low	46.9	Very low	31 Å²	31	61.2 Å²	61.2	15%	0.153	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-33.8	173.8	-72.1	-172.6	174.9	0	0	111.4	V335 L339 V353 I354 V360 G361 S398	V335-M357 HydrophobicContact CG1-CE 3.8Å; V335-M357 HydrophobicContact CG1-CG 4.03Å; V335-M357 HydrophobicContact CG2-CG 3.81Å; L339-M357 HydrophobicContact CD1-CE 4.38Å; V353-M357 HydrophobicContact CG1-CE 4.02Å; V353-M357 HydrophobicContact CG1-CG 4.49Å; V353-M357 HydrophobicContact CG1-SD 4.29Å; V353-M357 WeakPolarHBondContact O-CG 3.48Å; V353-M357 PolarHBondContact O-N 2.76Å; I354-M357 PolarHBondContact O-N 2.86Å; M357-V360 PolarHBondContact O-N 3.04Å; M357-G361 PolarHBondContact O-N 3.22Å; M357-S398 WeakPolarHBondContact SD-CB 3.17Å
358	R	45.9	Very low	47.2	Very low	150 Å²	150	53 Å²	53	57%	0.566	28%	0.283	S	S	*	.	H	α-helix	trans	-61.6	-41.4	169.3	-73.8	-176.8	-155.7	165.3	5.4	112.4	I354 S355 S356 G361 S362	I354-R358 WeakPolarHBondContact O-CG 3.35Å; I354-R358 PolarHBondContact O-N 3.3Å; S355-R358 WeakPolarHBondContact O-CB 3.34Å; S355-R358 PolarHBondContact O-N 2.63Å; S356-R358 VanDerWaalsContact C-N 3.28Å; S356-R358 PolarHBondContact O-N 2.97Å; R358-G361 CarbonylContact O-C 3.59Å; R358-G361 PolarHBondContact O-N 3.08Å; R358-S362 PolarHBondContact O-N 2.91Å; R358-S362 PolarHBondContact O-OG 3.01Å
359	K	53.7	Low	47.7	Very low	110 Å²	110	49.8 Å²	49.8	48%	0.478	27%	0.266	S	S	.	.	H	α-helix	trans	-63.7	-47.1	175.8	-71	179.2	-178.4	180	0	111.9	A331 S355 S356 G361 S362 I363	A331-K359 HydrophobicContact CB-CB 4.06Å; S355-K359 PolarHBondContact O-N 3.11Å; S355-K359 VanDerWaalsContact O-N 3.12Å; S356-K359 WeakPolarHBondContact O-CB 3.45Å; S356-K359 PolarHBondContact O-N 3.36Å; S356-K359 VanDerWaalsContact O-N 3.14Å; K359-G361 PolarHBondContact O-N 3.39Å; K359-S362 PolarHBondContact O-N 3.47Å; K359-S362 PolarHBondContact O-OG 2.84Å; K359-I363 VanDerWaalsContact O-CD1 3.23Å; K359-I363 WeakPolarHBondContact O-CD1 3.08Å; K359-I363 WeakPolarHBondContact O-CG1 3.46Å; K359-I363 PolarHBondContact O-N 3Å; K359-I363 VanDerWaalsContact O-N 3.08Å
360	V	48.9	Very low	48	Very low	2 Å²	2	50.6 Å²	50.6	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-44.4	174	175	0	0	0	0	109.5	F277 L328 A331 L332 V335 S356 M357 I363 L364	F277-V360 HydrophobicContact CE1-CG1 4.23Å; F277-V360 HydrophobicContact CZ-CG1 3.67Å; L328-V360 HydrophobicContact CD1-CG1 4.25Å; A331-V360 VanDerWaalsContact C-CG2 3.45Å; A331-V360 HydrophobicContact CB-CB 4.38Å; A331-V360 HydrophobicContact CB-CG2 3.55Å; A331-V360 WeakPolarHBondContact O-CG2 3.49Å; L332-V360 HydrophobicContact CD2-CG1 3.91Å; L332-V360 HydrophobicContact CD2-CG2 4.04Å; L332-V360 HydrophobicContact CG-CG1 4.37Å; L332-V360 HydrophobicContact CG-CG2 4.16Å; V335-V360 HydrophobicContact CG2-CG2 3.63Å; S356-V360 PolarHBondContact O-N 3Å; M357-V360 PolarHBondContact O-N 3.04Å; V360-I363 PolarHBondContact O-N 2.71Å; V360-L364 HydrophobicContact CG1-CD1 3.95Å; V360-L364 HydrophobicContact CG1-CG 4.36Å; V360-L364 VanDerWaalsContact O-CG 3.3Å; V360-L364 WeakPolarHBondContact O-CG 3.23Å; V360-L364 PolarHBondContact O-N 3.06Å
361	G	45.4	Very low	48.2	Very low	5 Å²	5	50 Å²	50	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-42.2	179.9	0	0	0	0	0	115.5	M357 R358 K359 I363 L364 R365 L395	M357-G361 PolarHBondContact O-N 3.22Å; R358-G361 CarbonylContact O-C 3.59Å; R358-G361 PolarHBondContact O-N 3.08Å; K359-G361 PolarHBondContact O-N 3.39Å; G361-I363 VanDerWaalsContact C-N 3.35Å; G361-L364 PolarHBondContact O-N 2.88Å; G361-R365 WeakPolarHBondContact O-CB 3.45Å; G361-R365 PolarHBondContact O-N 3.47Å; G361-L395 VanDerWaalsContact C-CD2 3.5Å; G361-L395 WeakPolarHBondContact O-CD2 3.05Å
362	S	50.2	Low	48.4	Very low	66 Å²	66	51.8 Å²	51.8	46%	0.462	25%	0.246	S	C	.	.	H	α-helix	trans	-66.7	-38.2	176.3	62.4	0	0	0	0	111.7	R358 K359 R365 E366	R358-S362 PolarHBondContact O-N 2.91Å; R358-S362 PolarHBondContact O-OG 3.01Å; K359-S362 PolarHBondContact O-N 3.47Å; K359-S362 PolarHBondContact O-OG 2.84Å; S362-R365 WeakPolarHBondContact O-CB 3.49Å; S362-R365 PolarHBondContact O-N 3.39Å; S362-E366 WeakPolarHBondContact O-CB 3.31Å; S362-E366 PolarHBondContact O-N 2.99Å
363	I	52	Low	48.6	Very low	15 Å²	15	51.6 Å²	51.6	8%	0.077	25%	0.25	C	S	.	.	H	α-helix	trans	-68.7	-41.3	177.7	-62.4	157	0	0	0	110.5	N327 L328 A331 K359 V360 G361 R365 E366 M367	N327-I363 VanDerWaalsContact C-CD1 3.48Å; N327-I363 HydrophobicContact CB-CD1 3.9Å; N327-I363 HydrophobicContact CB-CG1 4.16Å; N327-I363 HydrophobicContact CB-CG2 4.36Å; N327-I363 VanDerWaalsContact O-CD1 3.29Å; N327-I363 WeakPolarHBondContact O-CD1 3.32Å; L328-I363 HydrophobicContact CB-CG2 3.74Å; L328-I363 HydrophobicContact CD1-CB 4.26Å; L328-I363 HydrophobicContact CD1-CG2 3.92Å; L328-I363 HydrophobicContact CG-CG2 4.4Å; A331-I363 HydrophobicContact CB-CD1 3.5Å; A331-I363 VanDerWaalsContact CB-CD1 3.5Å; K359-I363 VanDerWaalsContact O-CD1 3.23Å; K359-I363 WeakPolarHBondContact O-CD1 3.08Å; K359-I363 WeakPolarHBondContact O-CG1 3.46Å; K359-I363 PolarHBondContact O-N 3Å; K359-I363 VanDerWaalsContact O-N 3.08Å; V360-I363 PolarHBondContact O-N 2.71Å; G361-I363 VanDerWaalsContact C-N 3.35Å; I363-R365 VanDerWaalsContact C-N 3.35Å; I363-E366 PolarHBondContact O-N 3.24Å; I363-M367 HydrophobicContact CG2-CG 4.45Å; I363-M367 HydrophobicContact CG2-SD 4.35Å; I363-M367 WeakPolarHBondContact O-CB 3.45Å; I363-M367 VanDerWaalsContact O-CG 3.3Å; I363-M367 WeakPolarHBondContact O-CG 3.2Å; I363-M367 PolarHBondContact O-N 2.81Å
364	L	49.7	Very low	48.7	Very low	22 Å²	22	57.4 Å²	57.4	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-61.7	-44.1	173.5	-72.3	175.8	0	0	0	111.4	L273 F277 L328 V360 G361 E366 M367 L368	L273-L364 HydrophobicContact CD1-CD2 3.46Å; L273-L364 VanDerWaalsContact CD1-CD2 3.46Å; L273-L364 HydrophobicContact CD2-CD2 3.99Å; L273-L364 HydrophobicContact CG-CD2 4.36Å; F277-L364 HydrophobicContact CE2-CD1 3.63Å; F277-L364 HydrophobicContact CZ-CD1 3.68Å; L328-L364 HydrophobicContact CD1-CD2 3.87Å; L328-L364 HydrophobicContact CD1-CG 4.02Å; L328-L364 HydrophobicContact CD2-CD2 4.37Å; V360-L364 HydrophobicContact CG1-CD1 3.95Å; V360-L364 HydrophobicContact CG1-CG 4.36Å; V360-L364 VanDerWaalsContact O-CG 3.3Å; V360-L364 WeakPolarHBondContact O-CG 3.23Å; V360-L364 PolarHBondContact O-N 3.06Å; G361-L364 PolarHBondContact O-N 2.88Å; L364-E366 VanDerWaalsContact C-N 3.33Å; L364-E366 PolarHBondContact O-N 2.84Å; L364-M367 PolarHBondContact O-N 2.9Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 3.37Å; L364-L368 WeakPolarHBondContact O-CG 3.12Å; L364-L368 PolarHBondContact O-N 3.39Å
365	R	50.4	Low	48.9	Very low	106 Å²	106	58.9 Å²	58.9	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-47.4	173.8	-174	-177.5	-66.4	-157.3	-11.2	111.3	G361 S362 I363 M367 L368 D369 E392	G361-R365 WeakPolarHBondContact O-CB 3.45Å; G361-R365 PolarHBondContact O-N 3.47Å; S362-R365 WeakPolarHBondContact O-CB 3.49Å; S362-R365 PolarHBondContact O-N 3.39Å; I363-R365 VanDerWaalsContact C-N 3.35Å; R365-M367 PolarHBondContact O-N 3.27Å; R365-L368 CarbonylContact O-C 3.58Å; R365-L368 PolarHBondContact O-N 2.85Å; R365-D369 WeakPolarHBondContact O-CB 3.3Å; R365-D369 VanDerWaalsContact O-CG 3.24Å; R365-D369 PolarHBondContact O-N 3.18Å; R365-E392 IonicContact CZ-OE1 3.53Å; R365-E392 IonicContact NH1-OE1 2.78Å; R365-E392 IonicContact NH2-OE1 3.4Å; R365-E392 PolarHBondContact NH2-OE1 3.12Å
366	E	53.5	Low	48.3	Very low	83 Å²	83	61.7 Å²	61.7	39%	0.388	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-40.5	-179.9	-167.4	179.7	177	0	0	112.9	H324 S362 I363 L364 L368 D369 R370	H324-E366 IonicContact CE1-OE1 3.99Å; H324-E366 PolarHBondContact CE1-OE1 3.48Å; H324-E366 VanDerWaalsContact CE1-OE1 3.28Å; H324-E366 IonicContact CE1-OE2 2.89Å; S362-E366 WeakPolarHBondContact O-CB 3.31Å; S362-E366 PolarHBondContact O-N 2.99Å; I363-E366 PolarHBondContact O-N 3.24Å; L364-E366 VanDerWaalsContact C-N 3.33Å; L364-E366 PolarHBondContact O-N 2.84Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-L368 PolarHBondContact O-N 2.88Å; E366-D369 PolarHBondContact O-N 3.38Å; E366-R370 PolarHBondContact O-N 2.93Å
367	M	50.3	Low	47.8	Very low	23 Å²	23	65.4 Å²	65.4	11%	0.113	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-43	173	-73.7	-177.7	74.4	0	0	111.3	L269 L316 H324 L328 I363 L364 R365 R370 V371	L269-M367 HydrophobicContact CD2-CE 3.87Å; L316-M367 HydrophobicContact CD2-CE 3.5Å; L316-M367 VanDerWaalsContact CD2-CE 3.5Å; H324-M367 HydrophobicContact CB-CE 4.47Å; H324-M367 HydrophobicContact CB-CG 3.61Å; H324-M367 HydrophobicContact CB-SD 4.03Å; L328-M367 HydrophobicContact CD2-SD 3.84Å; I363-M367 HydrophobicContact CG2-CG 4.45Å; I363-M367 HydrophobicContact CG2-SD 4.35Å; I363-M367 WeakPolarHBondContact O-CB 3.45Å; I363-M367 VanDerWaalsContact O-CG 3.3Å; I363-M367 WeakPolarHBondContact O-CG 3.2Å; I363-M367 PolarHBondContact O-N 2.81Å; L364-M367 PolarHBondContact O-N 2.9Å; R365-M367 PolarHBondContact O-N 3.27Å; M367-R370 PolarHBondContact O-N 3.23Å; M367-V371 VanDerWaalsContact O-CG2 3.23Å; M367-V371 WeakPolarHBondContact O-CG2 3.26Å; M367-V371 PolarHBondContact O-N 3.2Å
368	L	48.9	Very low	47.7	Very low	22 Å²	22	74.7 Å²	74.7	12%	0.115	37%	0.373	C	S	.	.	H	α-helix	trans	-68.2	-39.1	178.8	-71.6	175.8	0	0	0	112.2	M264 L270 L364 R365 E366 R370 V371 Y372 F387 C391	M264-L368 HydrophobicContact SD-CD2 4.44Å; L270-L368 HydrophobicContact CD2-CD2 4.11Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 3.37Å; L364-L368 WeakPolarHBondContact O-CG 3.12Å; L364-L368 PolarHBondContact O-N 3.39Å; R365-L368 CarbonylContact O-C 3.58Å; R365-L368 PolarHBondContact O-N 2.85Å; E366-L368 VanDerWaalsContact C-N 3.31Å; E366-L368 PolarHBondContact O-N 2.88Å; L368-R370 VanDerWaalsContact C-N 3.31Å; L368-R370 PolarHBondContact O-N 3.39Å; L368-V371 PolarHBondContact O-N 3.4Å; L368-Y372 WeakPolarHBondContact O-CB 3.22Å; L368-Y372 PolarHBondContact O-N 2.84Å; L368-F387 HydrophobicContact CB-CE1 4.05Å; L368-F387 HydrophobicContact CB-CZ 4.38Å; L368-F387 HydrophobicContact CD1-CE1 3.89Å; L368-F387 HydrophobicContact CD1-CZ 3.6Å; L368-F387 HydrophobicContact CD2-CE1 3.96Å; L368-F387 HydrophobicContact CD2-CZ 3.47Å; L368-F387 VanDerWaalsContact CD2-CZ 3.47Å; L368-F387 HydrophobicContact CG-CE1 4.16Å; L368-F387 HydrophobicContact CG-CZ 3.97Å; L368-C391 HydrophobicContact CD1-CB 4.42Å; L368-C391 VanDerWaalsContact CD1-SG 3.54Å
369	D	51.9	Low	47.5	Very low	78 Å²	78	69.3 Å²	69.3	42%	0.417	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-34.9	173.5	-72.4	-20.4	0	0	0	111.7	R365 E366 Y372 S373	R365-D369 WeakPolarHBondContact O-CB 3.3Å; R365-D369 VanDerWaalsContact O-CG 3.24Å; R365-D369 PolarHBondContact O-N 3.18Å; E366-D369 PolarHBondContact O-N 3.38Å; D369-Y372 WeakPolarHBondContact O-CB 3.29Å; D369-S373 WeakPolarHBondContact O-CB 3.45Å; D369-S373 PolarHBondContact O-N 3.06Å
370	R	50.3	Low	47	Very low	94 Å²	94	70.1 Å²	70.1	36%	0.355	36%	0.362	S	S	.	.	H	α-helix	trans	-71.5	-44.4	173.4	-76.1	-158.3	-171.3	172.6	-0.1	112.3	D321 H324 E366 M367 L368 Y372 S373 L374	D321-R370 IonicContact OD1-NH1 3.51Å; D321-R370 IonicContact OD2-CZ 3.74Å; D321-R370 IonicContact OD2-NH1 3.28Å; D321-R370 PolarHBondContact OD2-NH1 3.38Å; H324-R370 WeakPolarHBondContact NE2-CD 3.47Å; H324-R370 PolarHBondContact NE2-NE 3.44Å; H324-R370 PolarHBondContact NE2-NH1 3.2Å; H324-R370 VanDerWaalsContact NE2-NH1 3.15Å; E366-R370 PolarHBondContact O-N 2.93Å; M367-R370 PolarHBondContact O-N 3.23Å; L368-R370 VanDerWaalsContact C-N 3.31Å; L368-R370 PolarHBondContact O-N 3.39Å; R370-Y372 PolarHBondContact O-N 3.35Å; R370-S373 WeakPolarHBondContact CA-OG 3.49Å; R370-S373 PolarHBondContact O-N 2.84Å; R370-S373 VanDerWaalsContact O-N 3.13Å; R370-S373 PolarHBondContact O-OG 2.8Å; R370-L374 PolarHBondContact O-N 3.46Å
371	V	45.1	Very low	46.8	Very low	21 Å²	21	75 Å²	75	13%	0.127	39%	0.385	C	S	.	.	H	α-helix	trans	-58.5	-43.5	173.5	176	0	0	0	0	109.5	M264 M367 L368 S373 L374 Y375	M264-V371 HydrophobicContact CE-CB 4.14Å; M264-V371 HydrophobicContact CE-CG1 3.32Å; M264-V371 HydrophobicContact CG-CG1 4.16Å; M264-V371 HydrophobicContact SD-CB 4.49Å; M264-V371 HydrophobicContact SD-CG1 3.52Å; M264-V371 VanDerWaalsContact SD-CG1 3.52Å; M367-V371 VanDerWaalsContact O-CG2 3.23Å; M367-V371 WeakPolarHBondContact O-CG2 3.26Å; M367-V371 PolarHBondContact O-N 3.2Å; L368-V371 PolarHBondContact O-N 3.4Å; V371-S373 PolarHBondContact O-N 2.83Å; V371-L374 PolarHBondContact O-N 3.1Å; V371-Y375 HydrophobicContact CG1-CD2 3.68Å; V371-Y375 HydrophobicContact CG1-CE2 3.74Å; V371-Y375 WeakPolarHBondContact O-CD2 2.94Å; V371-Y375 PolarHBondContact O-N 3.39Å
372	Y	43.8	Very low	46.4	Very low	83 Å²	83	76.6 Å²	76.6	33%	0.325	40%	0.396	S	S	.	.	H	α-helix	trans	-53.6	-50.5	171.1	174.9	-84.1	0	0	0	112.2	L368 D369 R370 L374 Y375 C376 L384	L368-Y372 WeakPolarHBondContact O-CB 3.22Å; L368-Y372 PolarHBondContact O-N 2.84Å; D369-Y372 WeakPolarHBondContact O-CB 3.29Å; R370-Y372 PolarHBondContact O-N 3.35Å; Y372-L374 VanDerWaalsContact C-N 3.3Å; Y372-L374 PolarHBondContact O-N 2.85Å; Y372-Y375 PolarHBondContact O-N 3.17Å; Y372-C376 PolarHBondContact O-N 2.8Å; Y372-L384 HydrophobicContact CD2-CD1 4.35Å; Y372-L384 HydrophobicContact CD2-CD2 3.35Å; Y372-L384 HydrophobicContact CD2-CG 4.28Å; Y372-L384 HydrophobicContact CE2-CB 3.97Å; Y372-L384 HydrophobicContact CE2-CD1 3.54Å; Y372-L384 HydrophobicContact CE2-CD2 3.34Å; Y372-L384 HydrophobicContact CE2-CG 3.76Å
373	S	51.6	Low	45.8	Very low	71 Å²	71	75.3 Å²	75.3	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-64	-31.7	179.9	73.8	0	0	0	0	113.8	D369 R370 V371	D369-S373 WeakPolarHBondContact O-CB 3.45Å; D369-S373 PolarHBondContact O-N 3.06Å; R370-S373 WeakPolarHBondContact CA-OG 3.49Å; R370-S373 PolarHBondContact O-N 2.84Å; R370-S373 VanDerWaalsContact O-N 3.13Å; R370-S373 PolarHBondContact O-OG 2.8Å; V371-S373 PolarHBondContact O-N 2.83Å
374	L	45.8	Very low	45.4	Very low	134 Å²	134	75.6 Å²	75.6	70%	0.702	39%	0.385	S	S	*	.	H	α-helix	trans	-75.5	-24.1	179.2	-81.9	158.3	0	0	0	113	R370 V371 Y372	R370-L374 PolarHBondContact O-N 3.46Å; V371-L374 PolarHBondContact O-N 3.1Å; Y372-L374 VanDerWaalsContact C-N 3.3Å; Y372-L374 PolarHBondContact O-N 2.85Å
375	Y	45.7	Very low	45.1	Very low	81 Å²	81	76.6 Å²	76.6	32%	0.318	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	11.4	-176	-65.1	-65.5	0	0	0	114	R265 V371 Y372 G377 R378	R265-Y375 VanDerWaalsContact CB-OH 3.27Å; R265-Y375 WeakPolarHBondContact CB-OH 3.49Å; R265-Y375 VanDerWaalsContact CD-OH 3.3Å; R265-Y375 WeakPolarHBondContact CD-OH 3.19Å; V371-Y375 HydrophobicContact CG1-CD2 3.68Å; V371-Y375 HydrophobicContact CG1-CE2 3.74Å; V371-Y375 WeakPolarHBondContact O-CD2 2.94Å; V371-Y375 PolarHBondContact O-N 3.39Å; Y372-Y375 PolarHBondContact O-N 3.17Å; Y375-G377 PolarHBondContact O-N 2.93Å; Y375-R378 PolarHBondContact O-N 3.39Å
376	C	37	Very low	44.6	Very low	98 Å²	98	75 Å²	75	66%	0.662	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	96.6	171.8	-84.8	0	0	0	0	111.9	Y372	Y372-C376 PolarHBondContact O-N 2.8Å
377	G	38.5	Very low	44.1	Very low	78 Å²	78	71.4 Å²	71.4	80%	0.804	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	146.2	-12.8	173.8	0	0	0	0	0	116.6	Y375	Y375-G377 PolarHBondContact O-N 2.93Å
378	R	43.6	Very low	43.9	Very low	227 Å²	227	73.4 Å²	73.4	86%	0.857	38%	0.384	S	S	*	.	S	Bend	trans	-120.2	-1.1	-175.3	-66.6	-171	-176.4	-173.6	0.9	116.4	R263 Y375	R263-R378 PolarHBondContact NH1-O 2.81Å; Y375-R378 PolarHBondContact O-N 3.39Å
379	V	41.9	Very low	43.5	Very low	36 Å²	36	74.7 Å²	74.7	22%	0.218	39%	0.392	C	S	.	.	S	Bend	trans	-123.3	126.2	-175.8	-170.4	0	0	0	0	108.8	F259 N383 L384	F259-V379 HydrophobicContact CZ-CG1 4.42Å; V379-N383 HydrophobicContact CG1-CB 3.7Å; V379-L384 HydrophobicContact CB-CD1 4.41Å; V379-L384 HydrophobicContact CB-CD2 4.26Å; V379-L384 HydrophobicContact CB-CG 4.24Å; V379-L384 HydrophobicContact CG1-CD2 4.03Å; V379-L384 HydrophobicContact CG1-CG 3.93Å
380	E	42.3	Very low	43.1	Very low	127 Å²	127	71.7 Å²	71.7	59%	0.593	38%	0.377	S	S	*	.			trans	-60.4	143.2	176.1	-62.3	177.9	155.5	0	0	110.6	S382 N383 L384	E380-S382 PolarHBondContact O-N 2.79Å; E380-N383 WeakPolarHBondContact O-CB 3.11Å; E380-N383 PolarHBondContact O-N 3.16Å; E380-N383 PolarHBondContact OE2-ND2 3.18Å; E380-L384 PolarHBondContact O-N 3.44Å
381	Q	44.4	Very low	42.7	Very low	106 Å²	106	68 Å²	68	50%	0.495	37%	0.366	S	S	.	.	H	α-helix	trans	-54.6	-35.4	179.2	-168.3	64.7	31.3	0	0	112.7	N383 L384 D385	Q381-N383 VanDerWaalsContact C-N 3.34Å; Q381-N383 PolarHBondContact O-N 2.65Å; Q381-L384 WeakPolarHBondContact O-CB 3.46Å; Q381-L384 PolarHBondContact O-N 3.02Å; Q381-L384 VanDerWaalsContact O-N 3.15Å; Q381-D385 PolarHBondContact NE2-OD1 3.02Å; Q381-D385 PolarHBondContact O-N 2.92Å
382	S	36.7	Very low	42.6	Very low	38 Å²	38	70 Å²	70	27%	0.266	37%	0.373	S	S	.	.	H	α-helix	trans	-58	-42.2	175.2	51.7	0	0	0	0	113.3	E380 D385 L386	E380-S382 PolarHBondContact O-N 2.79Å; S382-D385 PolarHBondContact O-N 2.8Å; S382-L386 WeakPolarHBondContact O-CB 3.39Å; S382-L386 PolarHBondContact O-N 3.37Å
383	N	38.5	Very low	42.4	Very low	39 Å²	39	66.9 Å²	66.9	21%	0.209	36%	0.364	C	S	.	.	H	α-helix	trans	-68.8	-38.8	177.4	-75.8	-54.8	0	0	0	110.6	F259 V379 E380 Q381 F387	F259-N383 HydrophobicContact CE2-CB 3.88Å; F259-N383 WeakPolarHBondContact CE2-O 3.25Å; F259-N383 HydrophobicContact CZ-CB 4.34Å; F259-N383 VanDerWaalsContact CZ-O 3.27Å; F259-N383 WeakPolarHBondContact CZ-O 3.24Å; V379-N383 HydrophobicContact CG1-CB 3.7Å; E380-N383 WeakPolarHBondContact O-CB 3.11Å; E380-N383 PolarHBondContact O-N 3.16Å; E380-N383 PolarHBondContact OE2-ND2 3.18Å; Q381-N383 VanDerWaalsContact C-N 3.34Å; Q381-N383 PolarHBondContact O-N 2.65Å; N383-F387 WeakPolarHBondContact O-CB 3.25Å; N383-F387 PolarHBondContact O-N 2.82Å
384	L	43.3	Very low	41.9	Very low	21 Å²	21	65.2 Å²	65.2	11%	0.11	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-40.2	175.9	-68.8	166.4	0	0	0	112.1	Y372 V379 E380 Q381 F387 N388	Y372-L384 HydrophobicContact CD2-CD1 4.35Å; Y372-L384 HydrophobicContact CD2-CD2 3.35Å; Y372-L384 HydrophobicContact CD2-CG 4.28Å; Y372-L384 HydrophobicContact CE2-CB 3.97Å; Y372-L384 HydrophobicContact CE2-CD1 3.54Å; Y372-L384 HydrophobicContact CE2-CD2 3.34Å; Y372-L384 HydrophobicContact CE2-CG 3.76Å; V379-L384 HydrophobicContact CB-CD1 4.41Å; V379-L384 HydrophobicContact CB-CD2 4.26Å; V379-L384 HydrophobicContact CB-CG 4.24Å; V379-L384 HydrophobicContact CG1-CD2 4.03Å; V379-L384 HydrophobicContact CG1-CG 3.93Å; E380-L384 PolarHBondContact O-N 3.44Å; Q381-L384 WeakPolarHBondContact O-CB 3.46Å; Q381-L384 PolarHBondContact O-N 3.02Å; Q381-L384 VanDerWaalsContact O-N 3.15Å; L384-F387 WeakPolarHBondContact O-CB 3.17Å; L384-F387 PolarHBondContact O-N 3.36Å; L384-N388 PolarHBondContact O-N 2.87Å; L384-N388 PolarHBondContact O-ND2 3.14Å
385	D	43.2	Very low	41.5	Very low	42 Å²	42	60.4 Å²	60.4	23%	0.225	32%	0.324	C	S	.	.	H	α-helix	trans	-70.1	-42.7	178.2	-66.8	-25.4	0	0	0	111.9	Q381 S382 F387 N388 V389 L420	Q381-D385 PolarHBondContact NE2-OD1 3.02Å; Q381-D385 PolarHBondContact O-N 2.92Å; S382-D385 PolarHBondContact O-N 2.8Å; D385-F387 VanDerWaalsContact C-N 3.25Å; D385-F387 PolarHBondContact O-N 2.87Å; D385-N388 PolarHBondContact O-N 3.33Å; D385-V389 WeakPolarHBondContact O-CG2 3.47Å; D385-V389 PolarHBondContact O-N 3.4Å; D385-L420 HydrophobicContact CB-CD1 3.49Å; D385-L420 VanDerWaalsContact CB-CD1 3.49Å; D385-L420 HydrophobicContact CB-CD2 4.17Å; D385-L420 HydrophobicContact CB-CG 3.99Å; D385-L420 VanDerWaalsContact OD2-CD1 3.25Å; D385-L420 WeakPolarHBondContact OD2-CD1 3.18Å
386	L	40.8	Very low	41	Very low	74 Å²	74	57.3 Å²	57.3	39%	0.387	32%	0.315	S	S	.	.	H	α-helix	trans	-58.7	-40.8	173.2	-177.8	66.1	0	0	0	111.1	S382 V389 C390	S382-L386 WeakPolarHBondContact O-CB 3.39Å; S382-L386 PolarHBondContact O-N 3.37Å; L386-V389 PolarHBondContact O-N 2.97Å; L386-C390 WeakPolarHBondContact O-CB 3.47Å; L386-C390 PolarHBondContact O-N 3.39Å; L386-C390 PolarHBondContact O-SG 3.26Å
387	F	42.3	Very low	41	Very low	7 Å²	7	52.8 Å²	52.8	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-43.2	177.1	-179.4	-111.9	0	0	0	112.9	F259 M264 L368 N383 L384 D385 C390 C391	F259-F387 HydrophobicContact CB-CD2 4.08Å; F259-F387 HydrophobicContact CD1-CB 3.86Å; F259-F387 HydrophobicContact CD1-CD1 4.44Å; F259-F387 AromaticContact CD1-CD2 2.95Å; F259-F387 HydrophobicContact CD1-CD2 2.95Å; F259-F387 AromaticContact CD1-CE2 3.44Å; F259-F387 HydrophobicContact CD1-CE2 3.44Å; F259-F387 VanDerWaalsContact CD1-CE2 3.44Å; F259-F387 AromaticContact CD1-CG 3.51Å; F259-F387 HydrophobicContact CD1-CG 3.51Å; F259-F387 HydrophobicContact CD1-CZ 4.35Å; F259-F387 HydrophobicContact CD2-CB 4.18Å; F259-F387 HydrophobicContact CD2-CD2 4.35Å; F259-F387 HydrophobicContact CE1-CB 3.47Å; F259-F387 VanDerWaalsContact CE1-CB 3.47Å; F259-F387 HydrophobicContact CE1-CD1 4.01Å; F259-F387 AromaticContact CE1-CD2 3.32Å; F259-F387 HydrophobicContact CE1-CD2 3.32Å; F259-F387 AromaticContact CE1-CE2 3.95Å; F259-F387 HydrophobicContact CE1-CE2 3.95Å; F259-F387 AromaticContact CE1-CG 3.31Å; F259-F387 HydrophobicContact CE1-CG 3.31Å; F259-F387 HydrophobicContact CE2-CB 3.85Å; F259-F387 HydrophobicContact CG-CB 4.18Å; F259-F387 AromaticContact CG-CD2 3.53Å; F259-F387 HydrophobicContact CG-CD2 3.53Å; F259-F387 HydrophobicContact CG-CE2 4.25Å; F259-F387 HydrophobicContact CG-CG 4.19Å; F259-F387 HydrophobicContact CZ-CB 3.48Å; F259-F387 VanDerWaalsContact CZ-CB 3.48Å; F259-F387 HydrophobicContact CZ-CD2 4.18Å; F259-F387 AromaticContact CZ-CG 3.89Å; F259-F387 HydrophobicContact CZ-CG 3.89Å; M264-F387 HydrophobicContact CE-CZ 4.5Å; L368-F387 HydrophobicContact CB-CE1 4.05Å; L368-F387 HydrophobicContact CB-CZ 4.38Å; L368-F387 HydrophobicContact CD1-CE1 3.89Å; L368-F387 HydrophobicContact CD1-CZ 3.6Å; L368-F387 HydrophobicContact CD2-CE1 3.96Å; L368-F387 HydrophobicContact CD2-CZ 3.47Å; L368-F387 VanDerWaalsContact CD2-CZ 3.47Å; L368-F387 HydrophobicContact CG-CE1 4.16Å; L368-F387 HydrophobicContact CG-CZ 3.97Å; N383-F387 WeakPolarHBondContact O-CB 3.25Å; N383-F387 PolarHBondContact O-N 2.82Å; L384-F387 WeakPolarHBondContact O-CB 3.17Å; L384-F387 PolarHBondContact O-N 3.36Å; D385-F387 VanDerWaalsContact C-N 3.25Å; D385-F387 PolarHBondContact O-N 2.87Å; F387-C390 PolarHBondContact O-N 3.42Å; F387-C391 VanDerWaalsContact CE2-SG 3.54Å; F387-C391 WeakPolarHBondContact CZ-SG 3.42Å; F387-C391 WeakPolarHBondContact O-CB 2.92Å; F387-C391 PolarHBondContact O-N 3.41Å; F387-C391 PolarHBondContact O-SG 2.9Å
388	N	45.9	Very low	40.7	Very low	65 Å²	65	50.4 Å²	50.4	35%	0.348	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-45.3	174.1	-75.4	-24.9	0	0	0	111.1	L384 D385 C390 C391 E392	L384-N388 PolarHBondContact O-N 2.87Å; L384-N388 PolarHBondContact O-ND2 3.14Å; D385-N388 PolarHBondContact O-N 3.33Å; N388-C390 VanDerWaalsContact C-N 3.34Å; N388-C390 PolarHBondContact O-N 2.99Å; N388-C391 PolarHBondContact O-N 2.99Å; N388-E392 WeakPolarHBondContact O-CB 3.46Å; N388-E392 VanDerWaalsContact O-CG 3.26Å; N388-E392 WeakPolarHBondContact O-CG 3.39Å; N388-E392 PolarHBondContact O-N 3.48Å
389	V	41.8	Very low	40.2	Very low	48 Å²	48	42.9 Å²	42.9	29%	0.291	23%	0.23	S	C	.	.	H	α-helix	trans	-59.8	-43.4	176	172.5	0	0	0	0	111.7	D385 L386 S393 L420	D385-V389 WeakPolarHBondContact O-CG2 3.47Å; D385-V389 PolarHBondContact O-N 3.4Å; L386-V389 PolarHBondContact O-N 2.97Å; V389-S393 VanDerWaalsContact O-CB 3.24Å; V389-S393 WeakPolarHBondContact O-CB 2.95Å; V389-S393 PolarHBondContact O-N 2.98Å; V389-S393 PolarHBondContact O-OG 2.73Å; V389-L420 HydrophobicContact CG2-CD2 4Å
390	C	42.6	Very low	39.7	Very low	15 Å²	15	41.6 Å²	41.6	10%	0.101	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-44.2	178.8	-65.3	0	0	0	0	111.9	L252 V256 L386 F387 N388 S393 L394	L252-C390 WeakPolarHBondContact CD2-O 3.36Å; V256-C390 HydrophobicContact CG2-CB 3.41Å; V256-C390 VanDerWaalsContact CG2-CB 3.41Å; L386-C390 WeakPolarHBondContact O-CB 3.47Å; L386-C390 PolarHBondContact O-N 3.39Å; L386-C390 PolarHBondContact O-SG 3.26Å; F387-C390 PolarHBondContact O-N 3.42Å; N388-C390 VanDerWaalsContact C-N 3.34Å; N388-C390 PolarHBondContact O-N 2.99Å; C390-S393 PolarHBondContact O-N 2.98Å; C390-L394 PolarHBondContact O-N 2.86Å
391	C	42.8	Very low	39.1	Very low	17 Å²	17	37.6 Å²	37.6	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-48.3	176.1	-69.6	0	0	0	0	110.7	L368 F387 N388 S393 L394 L395	L368-C391 HydrophobicContact CD1-CB 4.42Å; L368-C391 VanDerWaalsContact CD1-SG 3.54Å; F387-C391 VanDerWaalsContact CE2-SG 3.54Å; F387-C391 WeakPolarHBondContact CZ-SG 3.42Å; F387-C391 WeakPolarHBondContact O-CB 2.92Å; F387-C391 PolarHBondContact O-N 3.41Å; F387-C391 PolarHBondContact O-SG 2.9Å; N388-C391 PolarHBondContact O-N 2.99Å; C391-S393 VanDerWaalsContact C-N 3.27Å; C391-S393 PolarHBondContact O-N 2.93Å; C391-L394 WeakPolarHBondContact O-CB 3.36Å; C391-L394 PolarHBondContact O-N 2.83Å; C391-L394 VanDerWaalsContact O-N 3.17Å; C391-L395 WeakPolarHBondContact O-CB 3.2Å; C391-L395 WeakPolarHBondContact O-CD1 3.14Å; C391-L395 WeakPolarHBondContact O-CG 3.28Å; C391-L395 PolarHBondContact O-N 3.43Å
392	E	42.3	Very low	38.6	Very low	62 Å²	62	38.8 Å²	38.8	29%	0.29	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-35	176.7	-68.9	-151.2	136.5	0	0	113.3	R365 N388 L395 C396 K412	R365-E392 IonicContact CZ-OE1 3.53Å; R365-E392 IonicContact NH1-OE1 2.78Å; R365-E392 IonicContact NH2-OE1 3.4Å; R365-E392 PolarHBondContact NH2-OE1 3.12Å; N388-E392 WeakPolarHBondContact O-CB 3.46Å; N388-E392 VanDerWaalsContact O-CG 3.26Å; N388-E392 WeakPolarHBondContact O-CG 3.39Å; N388-E392 PolarHBondContact O-N 3.48Å; E392-L395 WeakPolarHBondContact O-CB 3.42Å; E392-L395 PolarHBondContact O-N 2.92Å; E392-C396 WeakPolarHBondContact O-CB 3.22Å; E392-C396 PolarHBondContact O-N 3.23Å; E392-C396 PolarHBondContact O-SG 2.77Å; E392-K412 IonicContact OE2-NZ 2.75Å; E392-K412 PolarHBondContact OE2-NZ 3.48Å
393	S	39.5	Very low	38.2	Very low	19 Å²	19	47.3 Å²	47.3	13%	0.133	24%	0.241	C	C	.	.	H	α-helix	trans	-69.7	-36.3	176.3	-62	0	0	0	0	112.1	V389 C390 C391 A397	V389-S393 VanDerWaalsContact O-CB 3.24Å; V389-S393 WeakPolarHBondContact O-CB 2.95Å; V389-S393 PolarHBondContact O-N 2.98Å; V389-S393 PolarHBondContact O-OG 2.73Å; C390-S393 PolarHBondContact O-N 2.98Å; C391-S393 VanDerWaalsContact C-N 3.27Å; C391-S393 PolarHBondContact O-N 2.93Å; S393-A397 WeakPolarHBondContact O-CB 3.34Å; S393-A397 PolarHBondContact O-N 3.33Å
394	L	40.5	Very low	37.8	Very low	36 Å²	36	50.8 Å²	50.8	19%	0.188	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-38.2	169.3	-99.6	138.4	0	0	0	112	L252 V256 C390 C391 A397	L252-L394 HydrophobicContact CD2-CB 4.03Å; L252-L394 HydrophobicContact CD2-CD1 3.7Å; L252-L394 HydrophobicContact CD2-CG 3.53Å; L252-L394 VanDerWaalsContact CD2-N 3.34Å; V256-L394 HydrophobicContact CB-CD1 3.63Å; V256-L394 HydrophobicContact CG1-CD1 4.05Å; V256-L394 HydrophobicContact CG2-CD1 3.19Å; C390-L394 PolarHBondContact O-N 2.86Å; C391-L394 WeakPolarHBondContact O-CB 3.36Å; C391-L394 PolarHBondContact O-N 2.83Å; C391-L394 VanDerWaalsContact O-N 3.17Å; L394-A397 VanDerWaalsContact O-CB 3.29Å; L394-A397 WeakPolarHBondContact O-CB 3.44Å; L394-A397 PolarHBondContact O-N 2.71Å
395	L	38.2	Very low	37.1	Very low	32 Å²	32	50.7 Å²	50.7	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-70.3	-35	179.7	-67.4	169.3	0	0	0	112.7	G361 C391 E392 Q399	G361-L395 VanDerWaalsContact C-CD2 3.5Å; G361-L395 WeakPolarHBondContact O-CD2 3.05Å; C391-L395 WeakPolarHBondContact O-CB 3.2Å; C391-L395 WeakPolarHBondContact O-CD1 3.14Å; C391-L395 WeakPolarHBondContact O-CG 3.28Å; C391-L395 PolarHBondContact O-N 3.43Å; E392-L395 WeakPolarHBondContact O-CB 3.42Å; E392-L395 PolarHBondContact O-N 2.92Å; L395-Q399 PolarHBondContact O-NE2 3.25Å
396	C	36.1	Very low	36.6	Very low	17 Å²	17	53.2 Å²	53.2	12%	0.115	26%	0.262	C	S	.	.	H	α-helix	trans	-78.1	-20.7	175.9	-71.5	0	0	0	0	112.7	E392 S398 Q399 I400 C408	E392-C396 WeakPolarHBondContact O-CB 3.22Å; E392-C396 PolarHBondContact O-N 3.23Å; E392-C396 PolarHBondContact O-SG 2.77Å; C396-S398 VanDerWaalsContact C-N 3.29Å; C396-S398 PolarHBondContact O-N 2.88Å; C396-Q399 VanDerWaalsContact O-CB 3.32Å; C396-Q399 WeakPolarHBondContact O-CB 3.31Å; C396-Q399 PolarHBondContact O-N 3.23Å; C396-I400 HydrophobicContact CB-CD1 3.89Å; C396-I400 WeakPolarHBondContact O-CD1 3.25Å; C396-I400 WeakPolarHBondContact O-CG1 3.43Å; C396-C408 VanDerWaalsContact SG-SG 3.65Å
397	A	35.3	Very low	35.9	Very low	3 Å²	3	55.5 Å²	55.5	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-61	-34.7	-171.2	0	0	0	0	0	113.8	F249 S393 L394	F249-A397 HydrophobicContact CD1-CB 3.98Å; F249-A397 HydrophobicContact CE1-CB 3.08Å; F249-A397 HydrophobicContact CE2-CB 3.86Å; F249-A397 HydrophobicContact CZ-CB 3.05Å; F249-A397 WeakPolarHBondContact CZ-O 3.23Å; S393-A397 WeakPolarHBondContact O-CB 3.34Å; S393-A397 PolarHBondContact O-N 3.33Å; L394-A397 VanDerWaalsContact O-CB 3.29Å; L394-A397 WeakPolarHBondContact O-CB 3.44Å; L394-A397 PolarHBondContact O-N 2.71Å
398	S	32.5	Very low	35.1	Very low	28 Å²	28	56.5 Å²	56.5	20%	0.196	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-22.5	173.7	60.8	0	0	0	0	114.8	M357 C396 I400	M357-S398 WeakPolarHBondContact SD-CB 3.17Å; C396-S398 VanDerWaalsContact C-N 3.29Å; C396-S398 PolarHBondContact O-N 2.88Å; S398-I400 PolarHBondContact O-N 3.5Å
399	Q	33.8	Very low	34.5	Very low	68 Å²	68	56.1 Å²	56.1	32%	0.318	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.9	-174.9	-58	177.7	-5.2	0	0	112.2	L395 C396 Q404	L395-Q399 PolarHBondContact O-NE2 3.25Å; C396-Q399 VanDerWaalsContact O-CB 3.32Å; C396-Q399 WeakPolarHBondContact O-CB 3.31Å; C396-Q399 PolarHBondContact O-N 3.23Å; Q399-Q404 PolarHBondContact O-OE1 3.31Å
400	I	31.4	Very low	33.9	Very low	10 Å²	10	55.3 Å²	55.3	5%	0.051	27%	0.269	C	S	.	.			trans	-132.2	103.5	-152.8	-74.7	178.8	0	0	0	109.5	C396 S398 Q404 L405 C408	C396-I400 HydrophobicContact CB-CD1 3.89Å; C396-I400 WeakPolarHBondContact O-CD1 3.25Å; C396-I400 WeakPolarHBondContact O-CG1 3.43Å; S398-I400 PolarHBondContact O-N 3.5Å; I400-Q404 HydrophobicContact CB-CB 4.26Å; I400-Q404 HydrophobicContact CG1-CB 4.09Å; I400-Q404 HydrophobicContact CG2-CB 3.77Å; I400-L405 HydrophobicContact CB-CB 4.37Å; I400-L405 HydrophobicContact CB-CD1 4.18Å; I400-L405 HydrophobicContact CB-CG 4.05Å; I400-L405 HydrophobicContact CD1-CG 4.09Å; I400-L405 HydrophobicContact CG2-CB 3.19Å; I400-L405 HydrophobicContact CG2-CD1 3.57Å; I400-L405 HydrophobicContact CG2-CG 3.3Å; I400-C408 HydrophobicContact CD1-CB 3.67Å
401	G	30.4	Very low	33.2	Very low	42 Å²	42	59.6 Å²	59.6	43%	0.433	29%	0.288	S	S	.	.			trans	-56.9	155.5	156.4	0	0	0	0	0	109.5	R403 Q404	G401-R403 CarbonylContact O-C 3.5Å; G401-R403 PolarHBondContact O-N 2.97Å; G401-Q404 PolarHBondContact O-N 3.26Å
402	Y	32.7	Very low	32.8	Very low	131 Å²	131	62.6 Å²	62.6	51%	0.514	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	-25	-179.9	-174.8	-99.4	0	0	0	115.2	V245 R406	V245-Y402 HydrophobicContact CG2-CD2 3.72Å; V245-Y402 HydrophobicContact CG2-CE2 4.03Å; Y402-R406 VanDerWaalsContact CZ-NH2 3.26Å; Y402-R406 PolarHBondContact O-NE 2.89Å; Y402-R406 PolarHBondContact OH-NH2 2.84Å; Y402-R406 VanDerWaalsContact OH-NH2 3.12Å
403	R	28.5	Very low	32.3	Very low	218 Å²	218	64.5 Å²	64.5	82%	0.823	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.8	175.7	-72.2	-177.2	174.1	173.6	-2.5	116.1	G401	G401-R403 CarbonylContact O-C 3.5Å; G401-R403 PolarHBondContact O-N 2.97Å
404	Q	29.4	Very low	31.9	Very low	111 Å²	111	67.7 Å²	67.7	52%	0.519	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.7	-175.5	-74.9	171.3	-20.8	0	0	113.2	Q399 I400 G401 R406 K407 C408	Q399-Q404 PolarHBondContact O-OE1 3.31Å; I400-Q404 HydrophobicContact CB-CB 4.26Å; I400-Q404 HydrophobicContact CG1-CB 4.09Å; I400-Q404 HydrophobicContact CG2-CB 3.77Å; G401-Q404 PolarHBondContact O-N 3.26Å; Q404-R406 PolarHBondContact O-N 3.39Å; Q404-K407 PolarHBondContact O-N 2.81Å; Q404-C408 PolarHBondContact O-N 3.35Å
405	L	29.2	Very low	31.4	Very low	20 Å²	20	72.6 Å²	72.6	11%	0.105	35%	0.351	C	S	.	.	H	α-helix	trans	-72.2	-29.1	-178.2	-122	146	0	0	0	109.1	V245 Y248 F249 I400 V409	V245-L405 HydrophobicContact CG1-CD1 3.97Å; V245-L405 HydrophobicContact CG2-CD1 4.29Å; Y248-L405 HydrophobicContact CD1-CD2 3.82Å; Y248-L405 HydrophobicContact CE1-CD2 3.74Å; F249-L405 HydrophobicContact CE2-CD1 4.11Å; I400-L405 HydrophobicContact CB-CB 4.37Å; I400-L405 HydrophobicContact CB-CD1 4.18Å; I400-L405 HydrophobicContact CB-CG 4.05Å; I400-L405 HydrophobicContact CD1-CG 4.09Å; I400-L405 HydrophobicContact CG2-CB 3.19Å; I400-L405 HydrophobicContact CG2-CD1 3.57Å; I400-L405 HydrophobicContact CG2-CG 3.3Å; L405-V409 WeakPolarHBondContact O-CG2 3.45Å; L405-V409 PolarHBondContact O-N 3.49Å
406	R	31.9	Very low	31.1	Very low	95 Å²	95	72.6 Å²	72.6	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-31.6	172.9	-55.4	176.3	177.8	-144.5	-12.7	112.7	Y402 Q404	Y402-R406 VanDerWaalsContact CZ-NH2 3.26Å; Y402-R406 PolarHBondContact O-NE 2.89Å; Y402-R406 PolarHBondContact OH-NH2 2.84Å; Y402-R406 VanDerWaalsContact OH-NH2 3.12Å; Q404-R406 PolarHBondContact O-N 3.39Å
407	K	27.8	Very low	30.8	Very low	121 Å²	121	77.6 Å²	77.6	53%	0.526	39%	0.386	S	S	.	.	H	α-helix	trans	-81.9	-48	178.4	-73	-167.9	170.3	-164.7	0	111.9	Q404 V409 F410 E411 Y540	Q404-K407 PolarHBondContact O-N 2.81Å; K407-V409 PolarHBondContact O-N 3.33Å; K407-F410 PolarHBondContact O-N 2.81Å; K407-E411 PolarHBondContact O-N 2.95Å; K407-Y540 HydrophobicContact CG-CE2 4.4Å
408	C	25.7	Very low	30.8	Very low	29 Å²	29	79.7 Å²	79.7	20%	0.196	41%	0.407	C	S	.	.	H	α-helix	trans	-68.5	-32.8	-172.1	-163.1	0	0	0	0	114.1	C396 I400 Q404 K412	C396-C408 VanDerWaalsContact SG-SG 3.65Å; I400-C408 HydrophobicContact CD1-CB 3.67Å; Q404-C408 PolarHBondContact O-N 3.35Å; C408-K412 WeakPolarHBondContact O-CG 3.48Å
409	V	32.2	Very low	30.6	Very low	57 Å²	57	83 Å²	83	35%	0.345	43%	0.428	S	S	.	.	H	α-helix	trans	-72.3	-36.2	176.3	175	0	0	0	0	110.8	L405 K407 V413	L405-V409 WeakPolarHBondContact O-CG2 3.45Å; L405-V409 PolarHBondContact O-N 3.49Å; K407-V409 PolarHBondContact O-N 3.33Å; V409-V413 VanDerWaalsContact O-CG2 3.26Å; V409-V413 WeakPolarHBondContact O-CG2 3.35Å; V409-V413 PolarHBondContact O-N 3.31Å
410	F	29.2	Very low	30.4	Very low	31 Å²	31	81.5 Å²	81.5	14%	0.136	42%	0.422	C	S	.	.	H	α-helix	trans	-79.4	-39.8	-175.2	-138.4	-80.5	0	0	0	112.7	K407 K412 V413 L414 Q537 Y540 L541	K407-F410 PolarHBondContact O-N 2.81Å; F410-K412 VanDerWaalsContact C-N 3.32Å; F410-K412 PolarHBondContact O-N 3.35Å; F410-V413 PolarHBondContact O-N 2.99Å; F410-L414 HydrophobicContact CD1-CD1 3.75Å; F410-L414 HydrophobicContact CE1-CD1 3.94Å; F410-L414 PolarHBondContact O-N 3.32Å; F410-L414 VanDerWaalsContact O-N 3.07Å; F410-Q537 HydrophobicContact CE2-CB 3.86Å; F410-Q537 HydrophobicContact CE2-CG 3.94Å; F410-Q537 HydrophobicContact CZ-CB 4.49Å; F410-Q537 WeakPolarHBondContact CZ-O 3.49Å; F410-Y540 HydrophobicContact CB-CD1 3.84Å; F410-Y540 HydrophobicContact CB-CE1 3.43Å; F410-Y540 VanDerWaalsContact CB-CE1 3.43Å; F410-Y540 AromaticContact CD1-CD1 3.32Å; F410-Y540 HydrophobicContact CD1-CD1 3.32Å; F410-Y540 AromaticContact CD1-CE1 3.38Å; F410-Y540 HydrophobicContact CD1-CE1 3.38Å; F410-Y540 AromaticContact CD2-CD1 3.63Å; F410-Y540 HydrophobicContact CD2-CD1 3.63Å; F410-Y540 HydrophobicContact CD2-CE1 4.16Å; F410-Y540 HydrophobicContact CD2-CG 4.38Å; F410-Y540 AromaticContact CE1-CD1 3.69Å; F410-Y540 HydrophobicContact CE1-CD1 3.69Å; F410-Y540 HydrophobicContact CE1-CE1 4.17Å; F410-Y540 AromaticContact CE2-CD1 3.99Å; F410-Y540 HydrophobicContact CE2-CD1 3.99Å; F410-Y540 AromaticContact CG-CD1 3.29Å; F410-Y540 HydrophobicContact CG-CD1 3.29Å; F410-Y540 AromaticContact CG-CE1 3.37Å; F410-Y540 HydrophobicContact CG-CE1 3.37Å; F410-Y540 HydrophobicContact CG-CG 4.37Å; F410-Y540 HydrophobicContact CZ-CD1 4.03Å; F410-L541 HydrophobicContact CE1-CB 3.97Å; F410-L541 HydrophobicContact CE1-CD1 3.92Å; F410-L541 HydrophobicContact CE1-CG 4.37Å; F410-L541 HydrophobicContact CZ-CB 3.78Å; F410-L541 HydrophobicContact CZ-CD1 4.43Å; F410-L541 HydrophobicContact CZ-CD2 4.28Å; F410-L541 HydrophobicContact CZ-CG 4.42Å
411	E	29	Very low	30.5	Very low	105 Å²	105	84.1 Å²	84.1	49%	0.491	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-41.7	172.8	-84.1	176.8	156.7	0	0	111.6	K407 L414 H415	K407-E411 PolarHBondContact O-N 2.95Å; E411-L414 PolarHBondContact O-N 3.49Å; E411-H415 PolarHBondContact O-CD2 3.42Å; E411-H415 PolarHBondContact O-N 2.8Å; E411-H415 VanDerWaalsContact O-N 3.08Å
412	K	33.8	Very low	30.4	Very low	80 Å²	80	85.6 Å²	85.6	35%	0.348	45%	0.449	S	S	.	.	H	α-helix	trans	-73.9	-29.6	-178.6	-70.8	-171	179.5	-171.7	0	114	E392 C408 F410 H415 A416	E392-K412 IonicContact OE2-NZ 2.75Å; E392-K412 PolarHBondContact OE2-NZ 3.48Å; C408-K412 WeakPolarHBondContact O-CG 3.48Å; F410-K412 VanDerWaalsContact C-N 3.32Å; F410-K412 PolarHBondContact O-N 3.35Å; K412-H415 PolarHBondContact O-N 3.35Å; K412-A416 PolarHBondContact O-N 3.01Å; K412-A416 VanDerWaalsContact O-N 3.13Å
413	V	31.8	Very low	30.2	Very low	101 Å²	101	83 Å²	83	61%	0.612	45%	0.447	S	S	*	.	H	α-helix	trans	-67.8	-38.4	169.6	170.2	0	0	0	0	110.9	V409 F410 H415	V409-V413 VanDerWaalsContact O-CG2 3.26Å; V409-V413 WeakPolarHBondContact O-CG2 3.35Å; V409-V413 PolarHBondContact O-N 3.31Å; F410-V413 PolarHBondContact O-N 2.99Å; V413-H415 VanDerWaalsContact C-N 3.29Å; V413-H415 PolarHBondContact O-N 3.26Å
414	L	30.4	Very low	30.2	Very low	86 Å²	86	74.9 Å²	74.9	45%	0.45	42%	0.42	S	S	.	.	H	α-helix	trans	-68.5	-25.7	176.4	-114.7	121.5	0	0	0	113.6	F410 E411	F410-L414 HydrophobicContact CD1-CD1 3.75Å; F410-L414 HydrophobicContact CE1-CD1 3.94Å; F410-L414 PolarHBondContact O-N 3.32Å; F410-L414 VanDerWaalsContact O-N 3.07Å; E411-L414 PolarHBondContact O-N 3.49Å
415	H	31.3	Very low	30.2	Very low	140 Å²	140	76.4 Å²	76.4	65%	0.648	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-0.6	-178.5	-66.2	-52.5	0	0	0	114.4	E411 K412 V413 T417	E411-H415 PolarHBondContact O-CD2 3.42Å; E411-H415 PolarHBondContact O-N 2.8Å; E411-H415 VanDerWaalsContact O-N 3.08Å; K412-H415 PolarHBondContact O-N 3.35Å; V413-H415 VanDerWaalsContact C-N 3.29Å; V413-H415 PolarHBondContact O-N 3.26Å; H415-T417 PolarHBondContact O-N 3Å
416	A	31.2	Very low	30.3	Very low	31 Å²	31	82.5 Å²	82.5	26%	0.256	46%	0.457	S	S	.	.			trans	-72.1	109.8	177.1	0	0	0	0	0	110.5	K412	K412-A416 PolarHBondContact O-N 3.01Å; K412-A416 VanDerWaalsContact O-N 3.13Å
417	T	30.3	Very low	30.3	Very low	123 Å²	123	83 Å²	83	76%	0.755	47%	0.467	S	S	*	.			trans	-108.1	140.4	176	54.8	0	0	0	0	111.1	H415	H415-T417 PolarHBondContact O-N 3Å
418	G	35.1	Very low	30.8	Very low	46 Å²	46	78.9 Å²	78.9	47%	0.474	46%	0.456	S	S	.	.	S	Bend	trans	94.2	-160.1	171.1	0	0	0	0	0	114.8	L420 A421	G418-L420 PolarHBondContact O-N 2.85Å; G418-A421 WeakPolarHBondContact O-CB 3.37Å; G418-A421 PolarHBondContact O-N 3.08Å
419	P	27.5	Very low	31.5	Very low	97 Å²	97	80.3 Å²	80.3	63%	0.63	46%	0.459	S	S	*	.	H	α-helix	trans	-56.3	-18	-176.4	-22.9	31.9	0	0	0	114.1	A421 S422 T423	P419-A421 VanDerWaalsContact C-N 3.33Å; P419-S422 WeakPolarHBondContact CA-OG 3.4Å; P419-S422 CarbonylContact O-C 3.5Å; P419-S422 PolarHBondContact O-N 3.32Å; P419-S422 PolarHBondContact O-OG 2.82Å; P419-T423 WeakPolarHBondContact O-CB 3.46Å; P419-T423 PolarHBondContact O-N 3.48Å; P419-T423 PolarHBondContact O-OG1 2.8Å
420	L	30	Very low	32.2	Very low	37 Å²	37	79.6 Å²	79.6	19%	0.194	46%	0.459	C	S	.	.	H	α-helix	trans	-58.7	-37.9	169.1	-94.7	94.1	0	0	0	113.4	D385 V389 G418 S422 T423 L424	D385-L420 HydrophobicContact CB-CD1 3.49Å; D385-L420 VanDerWaalsContact CB-CD1 3.49Å; D385-L420 HydrophobicContact CB-CD2 4.17Å; D385-L420 HydrophobicContact CB-CG 3.99Å; D385-L420 VanDerWaalsContact OD2-CD1 3.25Å; D385-L420 WeakPolarHBondContact OD2-CD1 3.18Å; V389-L420 HydrophobicContact CG2-CD2 4Å; G418-L420 PolarHBondContact O-N 2.85Å; L420-S422 PolarHBondContact O-N 2.87Å; L420-T423 VanDerWaalsContact CA-OG1 3.28Å; L420-T423 WeakPolarHBondContact CA-OG1 3.5Å; L420-T423 PolarHBondContact O-N 3.19Å; L420-L424 WeakPolarHBondContact O-CB 3.35Å; L420-L424 WeakPolarHBondContact O-CD1 3.11Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.34Å; L420-L424 PolarHBondContact O-N 3.04Å
421	A	32.3	Very low	33.2	Very low	66 Å²	66	79.7 Å²	79.7	55%	0.545	46%	0.459	S	S	.	.	H	α-helix	trans	-67.7	-24.2	178.2	0	0	0	0	0	111.9	G418 P419	G418-A421 WeakPolarHBondContact O-CB 3.37Å; G418-A421 PolarHBondContact O-N 3.08Å; P419-A421 VanDerWaalsContact C-N 3.33Å
422	S	28.8	Very low	34.2	Very low	73 Å²	73	76 Å²	76	51%	0.51	44%	0.444	S	S	.	.	H	α-helix	trans	-98	-19.2	175.3	52.3	0	0	0	0	114.5	P419 L420	P419-S422 WeakPolarHBondContact CA-OG 3.4Å; P419-S422 CarbonylContact O-C 3.5Å; P419-S422 PolarHBondContact O-N 3.32Å; P419-S422 PolarHBondContact O-OG 2.82Å; L420-S422 PolarHBondContact O-N 2.87Å
423	T	28.6	Very low	35.2	Very low	77 Å²	77	72.2 Å²	72.2	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-98	-14.1	176.1	41.5	0	0	0	0	112.6	P419 L420 D425	P419-T423 WeakPolarHBondContact O-CB 3.46Å; P419-T423 PolarHBondContact O-N 3.48Å; P419-T423 PolarHBondContact O-OG1 2.8Å; L420-T423 VanDerWaalsContact CA-OG1 3.28Å; L420-T423 WeakPolarHBondContact CA-OG1 3.5Å; L420-T423 PolarHBondContact O-N 3.19Å; T423-D425 PolarHBondContact O-N 2.8Å
424	L	29.1	Very low	36.3	Very low	47 Å²	47	67.8 Å²	67.8	25%	0.246	40%	0.403	C	S	.	.			trans	-72.7	53.8	150.3	-68.6	162.4	0	0	0	109.3	L420 F426	L420-L424 WeakPolarHBondContact O-CB 3.35Å; L420-L424 WeakPolarHBondContact O-CD1 3.11Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.34Å; L420-L424 PolarHBondContact O-N 3.04Å; L424-F426 HydrophobicContact CB-CD2 4.31Å; L424-F426 HydrophobicContact CD2-CD2 3.75Å; L424-F426 HydrophobicContact CD2-CE2 3.55Å; L424-F426 PolarHBondContact O-N 2.75Å
425	D	29.7	Very low	37.4	Very low	143 Å²	143	63.9 Å²	63.9	77%	0.765	38%	0.382	S	S	*	.			trans	-65	57.1	150.5	-86.2	-26.5	0	0	0	107.7	T423 D427	T423-D425 PolarHBondContact O-N 2.8Å; D425-D427 PolarHBondContact O-N 3.26Å
426	F	30.3	Very low	38.5	Very low	147 Å²	147	57.6 Å²	57.6	65%	0.645	35%	0.353	S	S	*	.			trans	-56.5	126.2	144.9	-86.8	-82.7	0	0	0	104	L424 A428	L424-F426 HydrophobicContact CB-CD2 4.31Å; L424-F426 HydrophobicContact CD2-CD2 3.75Å; L424-F426 HydrophobicContact CD2-CE2 3.55Å; L424-F426 PolarHBondContact O-N 2.75Å; F426-A428 HydrophobicContact CB-CB 3.95Å; F426-A428 CarbonylContact O-C 3.58Å; F426-A428 VanDerWaalsContact O-CA 3.31Å; F426-A428 WeakPolarHBondContact O-CA 3.32Å; F426-A428 WeakPolarHBondContact O-CB 3.38Å; F426-A428 PolarHBondContact O-N 2.77Å
427	D	31.6	Very low	39.7	Very low	107 Å²	107	60 Å²	60	57%	0.572	36%	0.362	S	S	*	.	S	Bend	trans	-41.9	65.5	161.4	-86.1	-41.7	0	0	0	112	D425 F528	D425-D427 PolarHBondContact O-N 3.26Å; D427-F528 HydrophobicContact CB-CD2 3.94Å; D427-F528 HydrophobicContact CB-CE2 3.57Å; D427-F528 WeakPolarHBondContact O-CD2 3.28Å; D427-F528 WeakPolarHBondContact O-CE2 3.46Å
428	A	38.8	Very low	40.6	Very low	34 Å²	34	56.4 Å²	56.4	28%	0.281	35%	0.349	S	S	.	.			trans	-177.2	61	-158.5	0	0	0	0	0	110.1	F426 A430 I529	F426-A428 HydrophobicContact CB-CB 3.95Å; F426-A428 CarbonylContact O-C 3.58Å; F426-A428 VanDerWaalsContact O-CA 3.31Å; F426-A428 WeakPolarHBondContact O-CA 3.32Å; F426-A428 WeakPolarHBondContact O-CB 3.38Å; F426-A428 PolarHBondContact O-N 2.77Å; A428-A430 PolarHBondContact O-N 2.85Å; A428-I529 HydrophobicContact CB-CD1 3.49Å; A428-I529 VanDerWaalsContact CB-CD1 3.49Å; A428-I529 HydrophobicContact CB-CG1 4.14Å
429	E	41.2	Very low	41.4	Very low	58 Å²	58	60.6 Å²	60.6	27%	0.271	36%	0.357	S	S	.	.			trans	-57.8	85.6	156.6	-76.5	-178.4	130.1	0	0	107.8	Y431 R446 Q472 Y473 A524 Y525 A526	E429-Y431 HydrophobicContact CB-CD2 4.35Å; E429-Y431 HydrophobicContact CB-CE1 4.49Å; E429-Y431 HydrophobicContact CB-CE2 3.67Å; E429-Y431 HydrophobicContact CG-CE2 4.23Å; E429-Y431 PolarHBondContact OE1-OH 2.97Å; E429-R446 IonicContact OE1-CZ 3.43Å; E429-R446 IonicContact OE1-NE 2.67Å; E429-Q472 PolarHBondContact OE2-NE2 3.05Å; E429-Y473 HydrophobicContact CB-CE1 3.73Å; E429-Y473 VanDerWaalsContact CD-OH 3.26Å; E429-Y473 PolarHBondContact OE1-OH 2.8Å; E429-Y473 WeakPolarHBondContact OE2-CE1 3.16Å; E429-Y473 PolarHBondContact OE2-OH 2.63Å; E429-A524 VanDerWaalsContact O-O 3.1Å; E429-Y525 CarbonylContact O-C 3.58Å; E429-A526 PolarHBondContact O-N 2.84Å
430	A	46.4	Very low	42.5	Very low	42 Å²	42	58.1 Å²	58.1	35%	0.347	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.2	176	0	0	0	0	0	107.1	A428 A524 Y525	A428-A430 PolarHBondContact O-N 2.85Å; A430-A524 CarbonylContact C-O 3.56Å; A430-A524 WeakPolarHBondContact CA-O 3.14Å; A430-Y525 HydrophobicContact CB-CD1 3.84Å; A430-Y525 HydrophobicContact CB-CE1 3.96Å
431	Y	50.5	Low	43.5	Very low	33 Å²	33	61.7 Å²	61.7	13%	0.129	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.4	179	-57	-60.3	0	0	0	110	E429 F433 S444 R446 L449 Y473 A523 A524	E429-Y431 HydrophobicContact CB-CD2 4.35Å; E429-Y431 HydrophobicContact CB-CE1 4.49Å; E429-Y431 HydrophobicContact CB-CE2 3.67Å; E429-Y431 HydrophobicContact CG-CE2 4.23Å; E429-Y431 PolarHBondContact OE1-OH 2.97Å; Y431-F433 VanDerWaalsContact CB-CE2 3.48Å; Y431-F433 HydrophobicContact CG-CZ 4.44Å; Y431-S444 WeakPolarHBondContact CB-O 3.5Å; Y431-S444 WeakPolarHBondContact CD1-O 3.44Å; Y431-R446 HydrophobicContact CE2-CB 4.41Å; Y431-R446 HydrophobicContact CE2-CG 4.45Å; Y431-L449 HydrophobicContact CD2-CD2 3.36Å; Y431-L449 HydrophobicContact CE2-CD2 4.18Å; Y431-L449 HydrophobicContact CG-CD2 3.93Å; Y431-Y473 HydrophobicContact CD2-CD1 4.17Å; Y431-Y473 AromaticContact CD2-CE1 3.87Å; Y431-Y473 HydrophobicContact CD2-CE1 3.87Å; Y431-Y473 HydrophobicContact CE2-CD1 4.19Å; Y431-Y473 AromaticContact CE2-CE1 3.42Å; Y431-Y473 HydrophobicContact CE2-CE1 3.42Å; Y431-Y473 VanDerWaalsContact CE2-CE1 3.42Å; Y431-Y473 HydrophobicContact CE2-CE2 4.49Å; Y431-Y473 AromaticContact CE2-CZ 3.61Å; Y431-A523 CarbonylContact O-C 3.45Å; Y431-A523 VanDerWaalsContact O-CA 3.24Å; Y431-A523 WeakPolarHBondContact O-CA 3.49Å; Y431-A524 PolarHBondContact N-O 3.05Å; Y431-A524 PolarHBondContact O-N 2.92Å
432	V	50	Low	44.1	Very low	28 Å²	28	62.6 Å²	62.6	17%	0.17	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.8	-178.5	176.4	0	0	0	0	109.3	V522 A523 L541 L545	V432-V522 CarbonylContact C-O 3.56Å; V432-V522 WeakPolarHBondContact CA-O 3.34Å; V432-A523 HydrophobicContact CG2-CB 4.05Å; V432-L541 HydrophobicContact CB-CD2 3.67Å; V432-L541 HydrophobicContact CG1-CD1 4.42Å; V432-L541 HydrophobicContact CG1-CD2 3.12Å; V432-L541 HydrophobicContact CG1-CG 3.88Å; V432-L541 HydrophobicContact CG2-CD2 3.22Å; V432-L545 HydrophobicContact CG1-CD1 4.26Å
433	F	54.8	Low	45.1	Very low	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.6	179.1	-48.1	-80.6	0	0	0	109.6	Y431 L440 L442 L449 V450 L453 V522	Y431-F433 VanDerWaalsContact CB-CE2 3.48Å; Y431-F433 HydrophobicContact CG-CZ 4.44Å; F433-L440 HydrophobicContact CB-CD1 3.84Å; F433-L440 HydrophobicContact CD1-CD1 4.19Å; F433-L440 HydrophobicContact CG-CD1 4.41Å; F433-L442 WeakPolarHBondContact CA-O 3.44Å; F433-L449 HydrophobicContact CE2-CD2 3.94Å; F433-L449 HydrophobicContact CE2-CG 4.37Å; F433-L449 HydrophobicContact CZ-CD2 4.07Å; F433-L449 HydrophobicContact CZ-CG 4.45Å; F433-V450 HydrophobicContact CD1-CG2 4.38Å; F433-V450 HydrophobicContact CE1-CB 4.35Å; F433-V450 HydrophobicContact CE1-CG1 4.49Å; F433-V450 HydrophobicContact CE1-CG2 3.42Å; F433-V450 VanDerWaalsContact CE1-CG2 3.42Å; F433-V450 HydrophobicContact CZ-CG2 3.85Å; F433-L453 HydrophobicContact CD2-CD1 3.17Å; F433-L453 HydrophobicContact CE2-CD1 3.24Å; F433-L453 HydrophobicContact CG-CD1 3.91Å; F433-L453 HydrophobicContact CZ-CD1 4.05Å; F433-V522 HydrophobicContact CB-CB 4Å; F433-V522 HydrophobicContact CB-CG2 4.09Å; F433-V522 HydrophobicContact CD2-CB 4.13Å; F433-V522 PolarHBondContact N-O 2.75Å; F433-V522 PolarHBondContact O-N 3.37Å; F433-V522 VanDerWaalsContact O-O 3.09Å
434	G	54	Low	45.8	Very low	9 Å²	9	65.3 Å²	65.3	9%	0.093	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.8	165.7	0	0	0	0	0	109.2	R441	G434-R441 PolarHBondContact O-N 2.7Å
435	M	55	Low	46.8	Very low	3 Å²	3	64.6 Å²	64.6	2%	0.015	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137	169.7	-57.9	163.1	-55.1	0	0	111.6	H439 L440 F458 Y520 V522	M435-H439 CarbonylContact C-O 3.54Å; M435-H439 WeakPolarHBondContact CA-O 3.43Å; M435-L440 HydrophobicContact CG-CB 4.34Å; M435-L440 HydrophobicContact CG-CD1 3.57Å; M435-L440 HydrophobicContact SD-CD1 4.12Å; M435-F458 HydrophobicContact CE-CD1 3.61Å; M435-F458 HydrophobicContact CE-CD2 3.53Å; M435-F458 HydrophobicContact CE-CE1 3.17Å; M435-F458 HydrophobicContact CE-CE2 3.08Å; M435-F458 HydrophobicContact CE-CG 3.8Å; M435-F458 HydrophobicContact CE-CZ 2.9Å; M435-F458 HydrophobicContact SD-CD2 3.77Å; M435-F458 HydrophobicContact SD-CE1 4.31Å; M435-F458 HydrophobicContact SD-CE2 3.1Å; M435-F458 WeakPolarHBondContact SD-CE2 3.46Å; M435-F458 HydrophobicContact SD-CZ 3.45Å; M435-F458 WeakPolarHBondContact SD-CZ 3.18Å; M435-Y520 PolarHBondContact N-O 3.26Å; M435-Y520 PolarHBondContact O-N 3.47Å; M435-V522 HydrophobicContact CE-CG2 3.29Å; M435-V522 HydrophobicContact SD-CG2 4.42Å
436	T	54.2	Low	48	Very low	8 Å²	8	63.1 Å²	63.1	5%	0.049	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.5	175.1	53.4	0	0	0	0	107.3	G438 H439 R441 V549	T436-G438 VanDerWaalsContact C-N 3.25Å; T436-G438 PolarHBondContact O-N 2.49Å; T436-H439 PolarHBondContact N-O 3.43Å; T436-H439 WeakPolarHBondContact O-CB 3.09Å; T436-H439 PolarHBondContact O-N 3.26Å; T436-R441 PolarHBondContact OG1-NE 3.45Å; T436-V549 HydrophobicContact CG2-CG1 4.35Å
437	N	55.7	Low	49.4	Very low	81 Å²	81	60.7 Å²	60.7	43%	0.433	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.9	178.5	-62.6	-19.7	0	0	0	113.8	H439 D517 S518	N437-H439 VanDerWaalsContact C-N 3.25Å; N437-H439 PolarHBondContact O-N 2.67Å; N437-D517 PolarHBondContact ND2-OD1 3.02Å; N437-S518 PolarHBondContact N-O 2.95Å; N437-S518 PolarHBondContact OD1-N 2.99Å
438	G	49.2	Very low	50.9	Low	48 Å²	48	60.1 Å²	60.1	50%	0.495	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-5.4	-179.6	0	0	0	0	0	115.5	T436	T436-G438 VanDerWaalsContact C-N 3.25Å; T436-G438 PolarHBondContact O-N 2.49Å
439	H	52.7	Low	52	Low	135 Å²	135	58.6 Å²	58.6	63%	0.625	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.6	173.5	-62.7	-69.5	0	0	0	111	M435 T436 N437 R441	M435-H439 CarbonylContact C-O 3.54Å; M435-H439 WeakPolarHBondContact CA-O 3.43Å; T436-H439 PolarHBondContact N-O 3.43Å; T436-H439 WeakPolarHBondContact O-CB 3.09Å; T436-H439 PolarHBondContact O-N 3.26Å; N437-H439 VanDerWaalsContact C-N 3.25Å; N437-H439 PolarHBondContact O-N 2.67Å; H439-R441 PolarHBondContact O-N 3.49Å
440	L	50.1	Low	52.9	Low	45 Å²	45	56 Å²	56	24%	0.236	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	119	172.3	-164.9	81.7	0	0	0	109.5	F433 M435 Q443 V450 L454	F433-L440 HydrophobicContact CB-CD1 3.84Å; F433-L440 HydrophobicContact CD1-CD1 4.19Å; F433-L440 HydrophobicContact CG-CD1 4.41Å; M435-L440 HydrophobicContact CG-CB 4.34Å; M435-L440 HydrophobicContact CG-CD1 3.57Å; M435-L440 HydrophobicContact SD-CD1 4.12Å; L440-Q443 HydrophobicContact CD2-CB 3.93Å; L440-Q443 HydrophobicContact CD2-CG 3.92Å; L440-V450 HydrophobicContact CD2-CG1 3.85Å; L440-L454 HydrophobicContact CB-CD2 4Å; L440-L454 HydrophobicContact CD1-CD2 4.45Å
441	R	51.4	Low	53.8	Low	112 Å²	112	57.9 Å²	57.9	42%	0.423	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-20.3	178.8	-70.4	-160.4	178.2	-163	-2.2	113.9	G434 T436 H439	G434-R441 PolarHBondContact O-N 2.7Å; T436-R441 PolarHBondContact OG1-NE 3.45Å; H439-R441 PolarHBondContact O-N 3.49Å
442	L	45.2	Very low	54.7	Low	84 Å²	84	58.7 Å²	58.7	44%	0.44	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.1	179.1	-84	151.8	0	0	0	110.3	F433 L545	F433-L442 WeakPolarHBondContact CA-O 3.44Å; L442-L545 HydrophobicContact CD1-CD1 4.22Å; L442-L545 HydrophobicContact CD1-CD2 3.22Å; L442-L545 HydrophobicContact CD1-CG 4.33Å
443	Q	48.6	Very low	55.5	Low	139 Å²	139	57.4 Å²	57.4	65%	0.65	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	109.6	-173.9	-166.7	176.3	7	0	0	110.3	L440 V450	L440-Q443 HydrophobicContact CD2-CB 3.93Å; L440-Q443 HydrophobicContact CD2-CG 3.92Å; Q443-V450 HydrophobicContact CG-CG2 4.47Å
444	S	43.9	Very low	55.9	Low	69 Å²	69	61.3 Å²	61.3	48%	0.483	33%	0.33	S	S	.	.			trans	-140	110.3	158.8	62.9	0	0	0	0	107.3	Y431	Y431-S444 WeakPolarHBondContact CB-O 3.5Å; Y431-S444 WeakPolarHBondContact CD1-O 3.44Å
445	G	49.8	Very low	56.6	Low	31 Å²	31	67.5 Å²	67.5	32%	0.32	36%	0.361	S	S	.	.	S	Bend	trans	161.2	178.7	167.9	0	0	0	0	0	117	V447	G445-V447 PolarHBondContact O-N 3.3Å
446	R	55.2	Low	57.2	Low	112 Å²	112	69.3 Å²	69.3	42%	0.423	37%	0.37	S	S	.	.			trans	-56.1	129.6	179.1	-89.4	-179	177.7	-160.1	-8.6	111.2	E429 Y431 D448 L449 V450 Y473	E429-R446 IonicContact OE1-CZ 3.43Å; E429-R446 IonicContact OE1-NE 2.67Å; Y431-R446 HydrophobicContact CE2-CB 4.41Å; Y431-R446 HydrophobicContact CE2-CG 4.45Å; R446-D448 PolarHBondContact O-N 3Å; R446-L449 HydrophobicContact CB-CB 4.33Å; R446-L449 WeakPolarHBondContact O-CB 3.49Å; R446-L449 PolarHBondContact O-N 2.93Å; R446-V450 VanDerWaalsContact O-CG2 3.28Å; R446-V450 WeakPolarHBondContact O-CG2 2.98Å; R446-V450 PolarHBondContact O-N 3.43Å; R446-Y473 WeakPolarHBondContact CD-OH 3.29Å
447	V	58.8	Low	58	Low	96 Å²	96	76.8 Å²	76.8	58%	0.582	40%	0.397	S	S	*	.	H	α-helix	trans	-52.1	-42.6	-178	177.1	0	0	0	0	111.7	G445 L449 V450 N451	G445-V447 PolarHBondContact O-N 3.3Å; V447-L449 VanDerWaalsContact C-N 3.35Å; V447-L449 PolarHBondContact O-N 3.33Å; V447-V450 PolarHBondContact O-N 3.1Å; V447-N451 WeakPolarHBondContact O-CB 3.32Å; V447-N451 VanDerWaalsContact O-CG 3.25Å; V447-N451 PolarHBondContact O-N 3.37Å; V447-N451 PolarHBondContact O-ND2 2.92Å
448	D	64.2	Low	58.5	Low	96 Å²	96	73.3 Å²	73.3	51%	0.513	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-41.4	-179.7	-52.5	-28.4	0	0	0	112.6	R446 N451 L452	R446-D448 PolarHBondContact O-N 3Å; D448-N451 PolarHBondContact O-N 3.47Å; D448-L452 PolarHBondContact O-N 3.21Å
449	L	61.8	Low	59.1	Low	2 Å²	2	75.6 Å²	75.6	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-68.8	-41.6	176.4	178.2	73.4	0	0	0	110.6	Y431 F433 R446 V447 N451 L452 L453 Y470 Y473 A524	Y431-L449 HydrophobicContact CD2-CD2 3.36Å; Y431-L449 HydrophobicContact CE2-CD2 4.18Å; Y431-L449 HydrophobicContact CG-CD2 3.93Å; F433-L449 HydrophobicContact CE2-CD2 3.94Å; F433-L449 HydrophobicContact CE2-CG 4.37Å; F433-L449 HydrophobicContact CZ-CD2 4.07Å; F433-L449 HydrophobicContact CZ-CG 4.45Å; R446-L449 HydrophobicContact CB-CB 4.33Å; R446-L449 WeakPolarHBondContact O-CB 3.49Å; R446-L449 PolarHBondContact O-N 2.93Å; V447-L449 VanDerWaalsContact C-N 3.35Å; V447-L449 PolarHBondContact O-N 3.33Å; L449-N451 VanDerWaalsContact C-N 3.34Å; L449-N451 PolarHBondContact O-N 2.8Å; L449-L452 PolarHBondContact O-N 3.47Å; L449-L453 HydrophobicContact CD1-CD1 4.46Å; L449-L453 HydrophobicContact CG-CD1 4.15Å; L449-L453 VanDerWaalsContact O-CG 3.23Å; L449-L453 WeakPolarHBondContact O-CG 3.31Å; L449-L453 PolarHBondContact O-N 3.3Å; L449-Y470 HydrophobicContact CB-CE1 4.48Å; L449-Y470 HydrophobicContact CD1-CD1 3.53Å; L449-Y470 HydrophobicContact CD1-CE1 4.1Å; L449-Y470 HydrophobicContact CD1-CG 4.34Å; L449-Y473 HydrophobicContact CD1-CD2 4.35Å; L449-A524 HydrophobicContact CD1-CB 4.16Å; L449-A524 HydrophobicContact CD2-CB 3.42Å; L449-A524 VanDerWaalsContact CD2-CB 3.42Å; L449-A524 HydrophobicContact CG-CB 4.32Å
450	V	59.3	Low	59.7	Low	2 Å²	2	73.7 Å²	73.7	1%	0.012	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-47	175.5	-174.4	0	0	0	0	110.6	F433 L440 Q443 R446 V447 L452 L453 L454	F433-V450 HydrophobicContact CD1-CG2 4.38Å; F433-V450 HydrophobicContact CE1-CB 4.35Å; F433-V450 HydrophobicContact CE1-CG1 4.49Å; F433-V450 HydrophobicContact CE1-CG2 3.42Å; F433-V450 VanDerWaalsContact CE1-CG2 3.42Å; F433-V450 HydrophobicContact CZ-CG2 3.85Å; L440-V450 HydrophobicContact CD2-CG1 3.85Å; Q443-V450 HydrophobicContact CG-CG2 4.47Å; R446-V450 VanDerWaalsContact O-CG2 3.28Å; R446-V450 WeakPolarHBondContact O-CG2 2.98Å; R446-V450 PolarHBondContact O-N 3.43Å; V447-V450 PolarHBondContact O-N 3.1Å; V450-L452 PolarHBondContact O-N 2.93Å; V450-L453 PolarHBondContact O-N 2.85Å; V450-L453 VanDerWaalsContact O-N 3.14Å; V450-L454 HydrophobicContact CG1-CD1 4.08Å; V450-L454 HydrophobicContact CG1-CG 4.35Å; V450-L454 WeakPolarHBondContact O-CG 3.43Å; V450-L454 PolarHBondContact O-N 3.32Å
451	N	66.3	Low	60.4	Low	83 Å²	83	72.6 Å²	72.6	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-43.6	179	-72.9	-20.4	0	0	0	111.8	V447 D448 L449 L453 L454 L455	V447-N451 WeakPolarHBondContact O-CB 3.32Å; V447-N451 VanDerWaalsContact O-CG 3.25Å; V447-N451 PolarHBondContact O-N 3.37Å; V447-N451 PolarHBondContact O-ND2 2.92Å; D448-N451 PolarHBondContact O-N 3.47Å; L449-N451 VanDerWaalsContact C-N 3.34Å; L449-N451 PolarHBondContact O-N 2.8Å; N451-L453 VanDerWaalsContact C-N 3.34Å; N451-L453 PolarHBondContact O-N 2.99Å; N451-L454 PolarHBondContact O-N 3.11Å; N451-L455 WeakPolarHBondContact O-CG 3.29Å; N451-L455 PolarHBondContact O-N 2.87Å
452	L	69.6	Low	60.7	Low	49 Å²	49	71.4 Å²	71.4	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-58.2	-48.1	173.2	178.7	84.4	0	0	0	111.4	D448 L449 V450 L454 L455 F468 Y470	D448-L452 PolarHBondContact O-N 3.21Å; L449-L452 PolarHBondContact O-N 3.47Å; V450-L452 PolarHBondContact O-N 2.93Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L452-L454 PolarHBondContact O-N 2.98Å; L452-L455 WeakPolarHBondContact O-CB 3.16Å; L452-L455 PolarHBondContact O-N 3.37Å; L452-L455 VanDerWaalsContact O-N 3.11Å; L452-F468 HydrophobicContact CD2-CE2 4.46Å; L452-Y470 HydrophobicContact CB-CE2 4.36Å; L452-Y470 HydrophobicContact CD1-CD2 4.02Å; L452-Y470 HydrophobicContact CD1-CE2 3.72Å; L452-Y470 HydrophobicContact CD2-CD1 3.74Å; L452-Y470 HydrophobicContact CD2-CD2 3.14Å; L452-Y470 HydrophobicContact CD2-CE1 4.03Å; L452-Y470 HydrophobicContact CD2-CE2 3.48Å; L452-Y470 VanDerWaalsContact CD2-CE2 3.48Å; L452-Y470 HydrophobicContact CD2-CG 3.25Å; L452-Y470 HydrophobicContact CG-CD2 4.12Å; L452-Y470 HydrophobicContact CG-CE2 4.03Å
453	L	66	Low	61.4	Low	1 Å²	1	68 Å²	68	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-64.8	-38.4	-176.8	-68.5	175.8	0	0	0	111.4	F433 L449 V450 N451 L455 I456 F458 F468 V522	F433-L453 HydrophobicContact CD2-CD1 3.17Å; F433-L453 HydrophobicContact CE2-CD1 3.24Å; F433-L453 HydrophobicContact CG-CD1 3.91Å; F433-L453 HydrophobicContact CZ-CD1 4.05Å; L449-L453 HydrophobicContact CD1-CD1 4.46Å; L449-L453 HydrophobicContact CG-CD1 4.15Å; L449-L453 VanDerWaalsContact O-CG 3.23Å; L449-L453 WeakPolarHBondContact O-CG 3.31Å; L449-L453 PolarHBondContact O-N 3.3Å; V450-L453 PolarHBondContact O-N 2.85Å; V450-L453 VanDerWaalsContact O-N 3.14Å; N451-L453 VanDerWaalsContact C-N 3.34Å; N451-L453 PolarHBondContact O-N 2.99Å; L453-L455 PolarHBondContact O-N 3.19Å; L453-I456 HydrophobicContact CD2-CD1 3.69Å; L453-I456 WeakPolarHBondContact O-CB 3.19Å; L453-I456 PolarHBondContact O-N 3.47Å; L453-I456 VanDerWaalsContact O-N 3.13Å; L453-F458 WeakPolarHBondContact O-CE2 3.27Å; L453-F458 WeakPolarHBondContact O-CZ 3.31Å; L453-F468 HydrophobicContact CD2-CE2 4.42Å; L453-F468 HydrophobicContact CD2-CZ 3.74Å; L453-V522 HydrophobicContact CD1-CB 4.32Å; L453-V522 HydrophobicContact CD1-CG1 3.84Å; L453-V522 HydrophobicContact CD2-CG1 3.71Å; L453-V522 HydrophobicContact CG-CG1 4.37Å
454	L	62.9	Low	62.1	Low	82 Å²	82	63.4 Å²	63.4	43%	0.429	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-25.5	174	-71.7	172.1	0	0	0	113.5	L440 V450 N451 L452 I456	L440-L454 HydrophobicContact CB-CD2 4Å; L440-L454 HydrophobicContact CD1-CD2 4.45Å; V450-L454 HydrophobicContact CG1-CD1 4.08Å; V450-L454 HydrophobicContact CG1-CG 4.35Å; V450-L454 WeakPolarHBondContact O-CG 3.43Å; V450-L454 PolarHBondContact O-N 3.32Å; N451-L454 PolarHBondContact O-N 3.11Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L452-L454 PolarHBondContact O-N 2.98Å; L454-I456 VanDerWaalsContact C-N 3.33Å
455	L	69.3	Low	62.9	Low	140 Å²	140	62 Å²	62	73%	0.733	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.8	177.6	-68.6	168.1	0	0	0	113.5	N451 L452 L453 R457	N451-L455 WeakPolarHBondContact O-CG 3.29Å; N451-L455 PolarHBondContact O-N 2.87Å; L452-L455 WeakPolarHBondContact O-CB 3.16Å; L452-L455 PolarHBondContact O-N 3.37Å; L452-L455 VanDerWaalsContact O-N 3.11Å; L453-L455 PolarHBondContact O-N 3.19Å; L455-R457 PolarHBondContact O-N 3.06Å
456	I	67.8	Low	63.6	Low	41 Å²	41	63.7 Å²	63.7	21%	0.21	33%	0.327	C	S	.	.	S	Bend	trans	-71.9	120.7	179	-61	173.5	0	0	0	108.4	L453 L454 F458 L461 F468	L453-I456 HydrophobicContact CD2-CD1 3.69Å; L453-I456 WeakPolarHBondContact O-CB 3.19Å; L453-I456 PolarHBondContact O-N 3.47Å; L453-I456 VanDerWaalsContact O-N 3.13Å; L454-I456 VanDerWaalsContact C-N 3.33Å; I456-F458 VanDerWaalsContact C-N 3.25Å; I456-F458 HydrophobicContact CB-CD1 4.46Å; I456-F458 HydrophobicContact CB-CD2 4.49Å; I456-F458 HydrophobicContact CB-CE1 3.83Å; I456-F458 HydrophobicContact CB-CE2 3.86Å; I456-F458 HydrophobicContact CB-CZ 3.47Å; I456-F458 VanDerWaalsContact CB-CZ 3.47Å; I456-F458 HydrophobicContact CD1-CE1 4.38Å; I456-F458 HydrophobicContact CD1-CZ 4.21Å; I456-F458 HydrophobicContact CG1-CZ 4.33Å; I456-F458 HydrophobicContact CG2-CD1 3.9Å; I456-F458 HydrophobicContact CG2-CE1 3.59Å; I456-F458 HydrophobicContact CG2-CE2 4.31Å; I456-F458 HydrophobicContact CG2-CG 4.35Å; I456-F458 HydrophobicContact CG2-CZ 3.8Å; I456-F458 WeakPolarHBondContact O-CD2 3.46Å; I456-F458 WeakPolarHBondContact O-CE2 3.46Å; I456-F458 PolarHBondContact O-N 2.76Å; I456-L461 HydrophobicContact CG2-CD1 4.41Å; I456-F468 HydrophobicContact CD1-CE1 4.09Å; I456-F468 HydrophobicContact CD1-CE2 4.22Å; I456-F468 HydrophobicContact CD1-CZ 3.48Å; I456-F468 VanDerWaalsContact CD1-CZ 3.48Å
457	R	70.6	Confident	63.9	Low	165 Å²	165	61.1 Å²	61.1	62%	0.623	33%	0.326	S	S	*	.			trans	-72.9	81.1	172.7	-63.6	-150	-59.8	-179.8	6.4	110.1	L455 D459 Q460	L455-R457 PolarHBondContact O-N 3.06Å; R457-D459 WeakPolarHBondContact CA-OD1 3.42Å; R457-D459 WeakPolarHBondContact CB-OD1 3.39Å; R457-D459 PolarHBondContact O-N 2.7Å; R457-Q460 HydrophobicContact CB-CB 4.48Å; R457-Q460 PolarHBondContact O-N 2.89Å
458	F	65.4	Low	64	Low	8 Å²	8	59.5 Å²	59.5	4%	0.035	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.3	-174	-68.2	-72.6	0	0	0	113	M435 L453 I456 Q460 L461 L477 Y520 V522	M435-F458 HydrophobicContact CE-CD1 3.61Å; M435-F458 HydrophobicContact CE-CD2 3.53Å; M435-F458 HydrophobicContact CE-CE1 3.17Å; M435-F458 HydrophobicContact CE-CE2 3.08Å; M435-F458 HydrophobicContact CE-CG 3.8Å; M435-F458 HydrophobicContact CE-CZ 2.9Å; M435-F458 HydrophobicContact SD-CD2 3.77Å; M435-F458 HydrophobicContact SD-CE1 4.31Å; M435-F458 HydrophobicContact SD-CE2 3.1Å; M435-F458 WeakPolarHBondContact SD-CE2 3.46Å; M435-F458 HydrophobicContact SD-CZ 3.45Å; M435-F458 WeakPolarHBondContact SD-CZ 3.18Å; L453-F458 WeakPolarHBondContact O-CE2 3.27Å; L453-F458 WeakPolarHBondContact O-CZ 3.31Å; I456-F458 VanDerWaalsContact C-N 3.25Å; I456-F458 HydrophobicContact CB-CD1 4.46Å; I456-F458 HydrophobicContact CB-CD2 4.49Å; I456-F458 HydrophobicContact CB-CE1 3.83Å; I456-F458 HydrophobicContact CB-CE2 3.86Å; I456-F458 HydrophobicContact CB-CZ 3.47Å; I456-F458 VanDerWaalsContact CB-CZ 3.47Å; I456-F458 HydrophobicContact CD1-CE1 4.38Å; I456-F458 HydrophobicContact CD1-CZ 4.21Å; I456-F458 HydrophobicContact CG1-CZ 4.33Å; I456-F458 HydrophobicContact CG2-CD1 3.9Å; I456-F458 HydrophobicContact CG2-CE1 3.59Å; I456-F458 HydrophobicContact CG2-CE2 4.31Å; I456-F458 HydrophobicContact CG2-CG 4.35Å; I456-F458 HydrophobicContact CG2-CZ 3.8Å; I456-F458 WeakPolarHBondContact O-CD2 3.46Å; I456-F458 WeakPolarHBondContact O-CE2 3.46Å; I456-F458 PolarHBondContact O-N 2.76Å; F458-Q460 PolarHBondContact O-N 2.64Å; F458-Q460 VanDerWaalsContact O-N 3.14Å; F458-L461 HydrophobicContact CB-CD1 4.2Å; F458-L461 HydrophobicContact CD1-CD1 3.61Å; F458-L461 HydrophobicContact CE1-CD1 4.41Å; F458-L461 HydrophobicContact CG-CD1 4.36Å; F458-L461 VanDerWaalsContact O-CB 3.26Å; F458-L461 WeakPolarHBondContact O-CB 3.28Å; F458-L461 WeakPolarHBondContact O-CD1 3.2Å; F458-L461 WeakPolarHBondContact O-CG 3.49Å; F458-L461 PolarHBondContact O-N 3.27Å; F458-L461 VanDerWaalsContact O-N 3.14Å; F458-L477 HydrophobicContact CD1-CD1 3.74Å; F458-L477 HydrophobicContact CD1-CD2 3.87Å; F458-L477 HydrophobicContact CD1-CG 4.39Å; F458-L477 HydrophobicContact CE1-CD1 3.4Å; F458-L477 VanDerWaalsContact CE1-CD1 3.4Å; F458-L477 HydrophobicContact CE1-CD2 3.65Å; F458-L477 HydrophobicContact CE1-CG 4.18Å; F458-Y520 VanDerWaalsContact C-CZ 3.41Å; F458-Y520 HydrophobicContact CB-CD1 3.76Å; F458-Y520 HydrophobicContact CB-CD2 3.62Å; F458-Y520 HydrophobicContact CB-CE1 3.64Å; F458-Y520 HydrophobicContact CB-CE2 3.53Å; F458-Y520 HydrophobicContact CB-CG 3.75Å; F458-Y520 AromaticContact CD1-CD1 3.72Å; F458-Y520 HydrophobicContact CD1-CD1 3.72Å; F458-Y520 HydrophobicContact CD1-CD2 4.48Å; F458-Y520 HydrophobicContact CD1-CE1 4.31Å; F458-Y520 AromaticContact CD1-CG 3.81Å; F458-Y520 HydrophobicContact CD1-CG 3.81Å; F458-Y520 HydrophobicContact CG-CD1 4.09Å; F458-Y520 HydrophobicContact CG-CD2 4.15Å; F458-Y520 HydrophobicContact CG-CE1 4.43Å; F458-Y520 AromaticContact CG-CG 3.93Å; F458-Y520 HydrophobicContact CG-CG 3.93Å; F458-Y520 WeakPolarHBondContact O-CE1 3.43Å; F458-Y520 PolarHBondContact O-OH 2.99Å; F458-V522 HydrophobicContact CE1-CG2 4.39Å
459	D	62	Low	63.5	Low	96 Å²	96	60.6 Å²	60.6	51%	0.513	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-54.2	-27.6	174.8	59	-57.7	0	0	0	113.6	R457 Y520	R457-D459 WeakPolarHBondContact CA-OD1 3.42Å; R457-D459 WeakPolarHBondContact CB-OD1 3.39Å; R457-D459 PolarHBondContact O-N 2.7Å; D459-Y520 PolarHBondContact N-OH 3.28Å
460	Q	66.5	Low	63.2	Low	95 Å²	95	63 Å²	63	44%	0.444	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-97.1	4.5	-177.7	-75.7	150.5	39.1	0	0	115.3	R457 F458 A462	R457-Q460 HydrophobicContact CB-CB 4.48Å; R457-Q460 PolarHBondContact O-N 2.89Å; F458-Q460 PolarHBondContact O-N 2.64Å; F458-Q460 VanDerWaalsContact O-N 3.14Å; Q460-A462 PolarHBondContact O-N 3.11Å
461	L	63.6	Low	63.5	Low	22 Å²	22	68.1 Å²	68.1	12%	0.115	34%	0.341	C	S	.	.			trans	-71.8	111.2	176	-67.5	173.6	0	0	0	109.6	I456 F458 Y466 L477 K479 Y520	I456-L461 HydrophobicContact CG2-CD1 4.41Å; F458-L461 HydrophobicContact CB-CD1 4.2Å; F458-L461 HydrophobicContact CD1-CD1 3.61Å; F458-L461 HydrophobicContact CE1-CD1 4.41Å; F458-L461 HydrophobicContact CG-CD1 4.36Å; F458-L461 VanDerWaalsContact O-CB 3.26Å; F458-L461 WeakPolarHBondContact O-CB 3.28Å; F458-L461 WeakPolarHBondContact O-CD1 3.2Å; F458-L461 WeakPolarHBondContact O-CG 3.49Å; F458-L461 PolarHBondContact O-N 3.27Å; F458-L461 VanDerWaalsContact O-N 3.14Å; L461-Y466 HydrophobicContact CB-CD2 4.14Å; L461-Y466 HydrophobicContact CB-CE2 3.47Å; L461-Y466 VanDerWaalsContact CB-CE2 3.47Å; L461-Y466 HydrophobicContact CD1-CD2 4.34Å; L461-Y466 HydrophobicContact CD1-CE2 4.44Å; L461-Y466 HydrophobicContact CD2-CD1 4.25Å; L461-Y466 HydrophobicContact CD2-CD2 3.9Å; L461-Y466 HydrophobicContact CD2-CE1 4.04Å; L461-Y466 HydrophobicContact CD2-CE2 3.65Å; L461-Y466 HydrophobicContact CD2-CG 4.18Å; L461-Y466 HydrophobicContact CG-CD2 4.35Å; L461-Y466 HydrophobicContact CG-CE2 4.03Å; L461-L477 HydrophobicContact CD1-CD2 3.22Å; L461-L477 HydrophobicContact CD1-CG 4.14Å; L461-L477 HydrophobicContact CD2-CD2 4.33Å; L461-L477 HydrophobicContact CG-CD2 4.41Å; L461-K479 PolarHBondContact O-NZ 3.04Å; L461-Y520 HydrophobicContact CB-CE1 4.4Å; L461-Y520 HydrophobicContact CD1-CD1 4Å; L461-Y520 HydrophobicContact CD1-CE1 3.8Å
462	A	58.9	Low	62.8	Low	87 Å²	87	67.9 Å²	67.9	72%	0.719	34%	0.337	S	S	*	.			trans	-69.5	-30.2	177.2	0	0	0	0	0	113.9	Q460 Y466	Q460-A462 PolarHBondContact O-N 3.11Å; A462-Y466 WeakPolarHBondContact CA-OH 3.36Å; A462-Y466 PolarHBondContact N-OH 2.79Å
463	A	60.1	Low	62.1	Low	13 Å²	13	65.6 Å²	65.6	11%	0.107	33%	0.325	C	S	.	.	S	Bend	trans	-99.3	155.2	-178	0	0	0	0	0	113.1	L465 Y466	A463-L465 VanDerWaalsContact C-N 3.3Å; A463-Y466 HydrophobicContact CB-CD2 4.1Å; A463-Y466 HydrophobicContact CB-CE1 4.29Å; A463-Y466 HydrophobicContact CB-CE2 3.45Å; A463-Y466 VanDerWaalsContact CB-CE2 3.45Å; A463-Y466 VanDerWaalsContact N-CE2 3.31Å; A463-Y466 PolarHBondContact N-OH 2.84Å; A463-Y466 WeakPolarHBondContact O-CE2 3.25Å
464	N	62.8	Low	61.7	Low	42 Å²	42	66.8 Å²	66.8	23%	0.225	33%	0.332	C	S	.	.	S	Bend	trans	-79.7	-15.4	175.2	-69.9	-12.8	0	0	0	112.9	I478 K479 Q485	N464-I478 CarbonylContact O-C 3.59Å; N464-I478 WeakPolarHBondContact O-CA 3.13Å; N464-K479 PolarHBondContact O-N 2.98Å; N464-Q485 PolarHBondContact ND2-OE1 3.44Å
465	L	60	Low	61.7	Low	39 Å²	39	62.9 Å²	62.9	20%	0.204	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.5	179.6	178.1	73.5	0	0	0	108.9	A463 I476 L477 I478 A501 L535	A463-L465 VanDerWaalsContact C-N 3.3Å; L465-I476 HydrophobicContact CD1-CG2 3.79Å; L465-L477 CarbonylContact C-O 3.52Å; L465-L477 WeakPolarHBondContact CA-O 3.27Å; L465-I478 HydrophobicContact CD1-CD1 4.38Å; L465-I478 HydrophobicContact CD1-CG1 3.71Å; L465-A501 HydrophobicContact CD2-CB 4.5Å; L465-L535 HydrophobicContact CD1-CD2 3.94Å; L465-L535 HydrophobicContact CD2-CD2 3.93Å; L465-L535 HydrophobicContact CG-CD2 4.46Å
466	Y	64	Low	61.4	Low	67 Å²	67	56.2 Å²	56.2	26%	0.263	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.1	173.4	-76.6	-90.1	0	0	0	108.6	L461 A462 A463 I476 L477	L461-Y466 HydrophobicContact CB-CD2 4.14Å; L461-Y466 HydrophobicContact CB-CE2 3.47Å; L461-Y466 VanDerWaalsContact CB-CE2 3.47Å; L461-Y466 HydrophobicContact CD1-CD2 4.34Å; L461-Y466 HydrophobicContact CD1-CE2 4.44Å; L461-Y466 HydrophobicContact CD2-CD1 4.25Å; L461-Y466 HydrophobicContact CD2-CD2 3.9Å; L461-Y466 HydrophobicContact CD2-CE1 4.04Å; L461-Y466 HydrophobicContact CD2-CE2 3.65Å; L461-Y466 HydrophobicContact CD2-CG 4.18Å; L461-Y466 HydrophobicContact CG-CD2 4.35Å; L461-Y466 HydrophobicContact CG-CE2 4.03Å; A462-Y466 WeakPolarHBondContact CA-OH 3.36Å; A462-Y466 PolarHBondContact N-OH 2.79Å; A463-Y466 HydrophobicContact CB-CD2 4.1Å; A463-Y466 HydrophobicContact CB-CE1 4.29Å; A463-Y466 HydrophobicContact CB-CE2 3.45Å; A463-Y466 VanDerWaalsContact CB-CE2 3.45Å; A463-Y466 VanDerWaalsContact N-CE2 3.31Å; A463-Y466 PolarHBondContact N-OH 2.84Å; A463-Y466 WeakPolarHBondContact O-CE2 3.25Å; Y466-I476 CarbonylContact O-C 3.43Å; Y466-I476 WeakPolarHBondContact O-CA 3.47Å; Y466-L477 PolarHBondContact N-O 3.06Å; Y466-L477 PolarHBondContact O-N 2.75Å
467	C	62.1	Low	61.3	Low	58 Å²	58	54.3 Å²	54.3	39%	0.392	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	117.9	172.3	-179.3	0	0	0	0	107.3	V474 C475	C467-V474 VanDerWaalsContact SG-CG1 3.56Å; C467-C475 CarbonylContact C-O 3.4Å; C467-C475 VanDerWaalsContact CA-O 3.32Å; C467-C475 WeakPolarHBondContact CA-O 3.4Å
468	F	59.9	Low	61	Low	62 Å²	62	47.1 Å²	47.1	27%	0.272	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.4	180	63	-84.9	0	0	0	110	L452 L453 I456 V474 C475 L477	L452-F468 HydrophobicContact CD2-CE2 4.46Å; L453-F468 HydrophobicContact CD2-CE2 4.42Å; L453-F468 HydrophobicContact CD2-CZ 3.74Å; I456-F468 HydrophobicContact CD1-CE1 4.09Å; I456-F468 HydrophobicContact CD1-CE2 4.22Å; I456-F468 HydrophobicContact CD1-CZ 3.48Å; I456-F468 VanDerWaalsContact CD1-CZ 3.48Å; F468-V474 CarbonylContact O-C 3.52Å; F468-C475 HydrophobicContact CD1-CB 3.95Å; F468-C475 HydrophobicContact CD2-CB 3.78Å; F468-C475 HydrophobicContact CE1-CB 3.56Å; F468-C475 HydrophobicContact CE2-CB 3.37Å; F468-C475 HydrophobicContact CG-CB 4.05Å; F468-C475 HydrophobicContact CZ-CB 3.25Å; F468-C475 PolarHBondContact N-O 3.08Å; F468-C475 WeakPolarHBondContact O-CA 3.31Å; F468-C475 PolarHBondContact O-N 3.3Å; F468-L477 HydrophobicContact CE1-CB 4.35Å
469	R	54.3	Low	61.2	Low	118 Å²	118	46.9 Å²	46.9	45%	0.445	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135	177.1	-170.6	177.2	175.5	141.7	-8.1	109.3	H194 Q471 Y473	H194-R469 PolarHBondContact O-NH1 3.37Å; R469-Q471 PolarHBondContact NE-O 2.87Å; R469-Y473 CarbonylContact C-O 3.59Å; R469-Y473 VanDerWaalsContact CA-O 3.26Å; R469-Y473 WeakPolarHBondContact CA-O 3.31Å; R469-Y473 WeakPolarHBondContact CG-O 3.43Å
470	Y	55.7	Low	61.1	Low	54 Å²	54	43.8 Å²	43.8	21%	0.212	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.7	169.4	176	-106.6	0	0	0	108.9	L449 L452 Q472 Y473	L449-Y470 HydrophobicContact CB-CE1 4.48Å; L449-Y470 HydrophobicContact CD1-CD1 3.53Å; L449-Y470 HydrophobicContact CD1-CE1 4.1Å; L449-Y470 HydrophobicContact CD1-CG 4.34Å; L452-Y470 HydrophobicContact CB-CE2 4.36Å; L452-Y470 HydrophobicContact CD1-CD2 4.02Å; L452-Y470 HydrophobicContact CD1-CE2 3.72Å; L452-Y470 HydrophobicContact CD2-CD1 3.74Å; L452-Y470 HydrophobicContact CD2-CD2 3.14Å; L452-Y470 HydrophobicContact CD2-CE1 4.03Å; L452-Y470 HydrophobicContact CD2-CE2 3.48Å; L452-Y470 VanDerWaalsContact CD2-CE2 3.48Å; L452-Y470 HydrophobicContact CD2-CG 3.25Å; L452-Y470 HydrophobicContact CG-CD2 4.12Å; L452-Y470 HydrophobicContact CG-CE2 4.03Å; Y470-Q472 PolarHBondContact O-N 2.95Å; Y470-Q472 VanDerWaalsContact O-N 3.16Å; Y470-Y473 HydrophobicContact CD1-CD2 4.4Å; Y470-Y473 PolarHBondContact N-O 2.62Å; Y470-Y473 WeakPolarHBondContact O-CA 3.41Å; Y470-Y473 WeakPolarHBondContact O-CB 3.38Å; Y470-Y473 PolarHBondContact O-N 3.44Å
471	Q	66	Low	60.7	Low	108 Å²	108	40.5 Å²	40.5	51%	0.505	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-119.1	-172	-57.6	178	-11.8	0	0	111.2	R469	R469-Q471 PolarHBondContact NE-O 2.87Å
472	Q	50.6	Low	60.2	Low	79 Å²	79	48 Å²	48	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.6	175.5	66.2	-157.3	19.5	0	0	113.6	E429 Y470 G527	E429-Q472 PolarHBondContact OE2-NE2 3.05Å; Y470-Q472 PolarHBondContact O-N 2.95Å; Y470-Q472 VanDerWaalsContact O-N 3.16Å; Q472-G527 WeakPolarHBondContact O-CA 2.97Å; Q472-G527 PolarHBondContact O-N 3.35Å
473	Y	56	Low	59.8	Low	1 Å²	1	47.3 Å²	47.3	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	139.9	-175.3	-52.9	-77.3	0	0	0	113.2	E429 Y431 R446 L449 R469 Y470 A524 Y525	E429-Y473 HydrophobicContact CB-CE1 3.73Å; E429-Y473 VanDerWaalsContact CD-OH 3.26Å; E429-Y473 PolarHBondContact OE1-OH 2.8Å; E429-Y473 WeakPolarHBondContact OE2-CE1 3.16Å; E429-Y473 PolarHBondContact OE2-OH 2.63Å; Y431-Y473 HydrophobicContact CD2-CD1 4.17Å; Y431-Y473 AromaticContact CD2-CE1 3.87Å; Y431-Y473 HydrophobicContact CD2-CE1 3.87Å; Y431-Y473 HydrophobicContact CE2-CD1 4.19Å; Y431-Y473 AromaticContact CE2-CE1 3.42Å; Y431-Y473 HydrophobicContact CE2-CE1 3.42Å; Y431-Y473 VanDerWaalsContact CE2-CE1 3.42Å; Y431-Y473 HydrophobicContact CE2-CE2 4.49Å; Y431-Y473 AromaticContact CE2-CZ 3.61Å; R446-Y473 WeakPolarHBondContact CD-OH 3.29Å; L449-Y473 HydrophobicContact CD1-CD2 4.35Å; R469-Y473 CarbonylContact C-O 3.59Å; R469-Y473 VanDerWaalsContact CA-O 3.26Å; R469-Y473 WeakPolarHBondContact CA-O 3.31Å; R469-Y473 WeakPolarHBondContact CG-O 3.43Å; Y470-Y473 HydrophobicContact CD1-CD2 4.4Å; Y470-Y473 PolarHBondContact N-O 2.62Å; Y470-Y473 WeakPolarHBondContact O-CA 3.41Å; Y470-Y473 WeakPolarHBondContact O-CB 3.38Å; Y470-Y473 PolarHBondContact O-N 3.44Å; Y473-A524 HydrophobicContact CG-CB 4.5Å; Y473-Y525 CarbonylContact C-O 3.55Å; Y473-Y525 WeakPolarHBondContact CA-O 3.48Å
474	V	56.4	Low	59.1	Low	26 Å²	26	54.7 Å²	54.7	16%	0.158	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	106.9	161.5	175.1	0	0	0	0	107.7	C467 F468 I476 A524 Y525 L531	C467-V474 VanDerWaalsContact SG-CG1 3.56Å; F468-V474 CarbonylContact O-C 3.52Å; V474-I476 HydrophobicContact CG1-CG1 4.16Å; V474-A524 CarbonylContact O-C 3.6Å; V474-A524 WeakPolarHBondContact O-CA 3.41Å; V474-Y525 PolarHBondContact N-O 3.35Å; V474-Y525 PolarHBondContact O-N 2.99Å; V474-L531 HydrophobicContact CG1-CD1 3.91Å
475	C	63.9	Low	58.4	Low	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.6	175.3	-58.6	0	0	0	0	109.5	C467 F468 A523	C467-C475 CarbonylContact C-O 3.4Å; C467-C475 VanDerWaalsContact CA-O 3.32Å; C467-C475 WeakPolarHBondContact CA-O 3.4Å; F468-C475 HydrophobicContact CD1-CB 3.95Å; F468-C475 HydrophobicContact CD2-CB 3.78Å; F468-C475 HydrophobicContact CE1-CB 3.56Å; F468-C475 HydrophobicContact CE2-CB 3.37Å; F468-C475 HydrophobicContact CG-CB 4.05Å; F468-C475 HydrophobicContact CZ-CB 3.25Å; F468-C475 PolarHBondContact N-O 3.08Å; F468-C475 WeakPolarHBondContact O-CA 3.31Å; F468-C475 PolarHBondContact O-N 3.3Å; C475-A523 CarbonylContact C-O 3.57Å; C475-A523 WeakPolarHBondContact CA-O 3.33Å
476	I	62.1	Low	57.7	Low	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.4	174.9	-56.9	179.1	0	0	0	107	L465 Y466 V474 I478 V522 A523 Y525 L531 A534 L535 T538	L465-I476 HydrophobicContact CD1-CG2 3.79Å; Y466-I476 CarbonylContact O-C 3.43Å; Y466-I476 WeakPolarHBondContact O-CA 3.47Å; V474-I476 HydrophobicContact CG1-CG1 4.16Å; I476-I478 HydrophobicContact CG2-CG1 4.4Å; I476-V522 CarbonylContact O-C 3.4Å; I476-V522 VanDerWaalsContact O-CA 3.26Å; I476-V522 WeakPolarHBondContact O-CA 3.21Å; I476-A523 PolarHBondContact N-O 2.9Å; I476-A523 PolarHBondContact O-N 3.4Å; I476-Y525 HydrophobicContact CD1-CD2 3.95Å; I476-Y525 HydrophobicContact CD1-CE2 3.83Å; I476-Y525 HydrophobicContact CG1-CD2 4.29Å; I476-Y525 HydrophobicContact CG1-CE2 4.32Å; I476-L531 HydrophobicContact CD1-CD1 4.35Å; I476-A534 VanDerWaalsContact CD1-C 3.5Å; I476-A534 HydrophobicContact CD1-CB 3.55Å; I476-L535 HydrophobicContact CD1-CB 4.44Å; I476-L535 HydrophobicContact CD1-CD2 3.93Å; I476-L535 HydrophobicContact CD1-CG 3.93Å; I476-L535 HydrophobicContact CG1-CD2 4.49Å; I476-L535 HydrophobicContact CG2-CD2 3.82Å; I476-T538 HydrophobicContact CB-CG2 4.14Å; I476-T538 HydrophobicContact CG2-CG2 3.83Å
477	L	67.1	Low	56.8	Low	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.7	-175.2	173.6	69.9	0	0	0	108.4	F458 L461 L465 Y466 F468 Y520 I521 V522	F458-L477 HydrophobicContact CD1-CD1 3.74Å; F458-L477 HydrophobicContact CD1-CD2 3.87Å; F458-L477 HydrophobicContact CD1-CG 4.39Å; F458-L477 HydrophobicContact CE1-CD1 3.4Å; F458-L477 VanDerWaalsContact CE1-CD1 3.4Å; F458-L477 HydrophobicContact CE1-CD2 3.65Å; F458-L477 HydrophobicContact CE1-CG 4.18Å; L461-L477 HydrophobicContact CD1-CD2 3.22Å; L461-L477 HydrophobicContact CD1-CG 4.14Å; L461-L477 HydrophobicContact CD2-CD2 4.33Å; L461-L477 HydrophobicContact CG-CD2 4.41Å; L465-L477 CarbonylContact C-O 3.52Å; L465-L477 WeakPolarHBondContact CA-O 3.27Å; Y466-L477 PolarHBondContact N-O 3.06Å; Y466-L477 PolarHBondContact O-N 2.75Å; F468-L477 HydrophobicContact CE1-CB 4.35Å; L477-Y520 HydrophobicContact CD1-CD1 4.38Å; L477-I521 CarbonylContact C-O 3.59Å; L477-I521 WeakPolarHBondContact CA-O 3.48Å; L477-V522 HydrophobicContact CD1-CB 4.25Å; L477-V522 HydrophobicContact CD1-CG1 4.26Å; L477-V522 HydrophobicContact CD1-CG2 3.6Å
478	I	64.6	Low	55.9	Low	14 Å²	14	61.8 Å²	61.8	7%	0.072	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.8	-179.9	-57.1	-177.3	0	0	0	107.5	N464 L465 I476 R480 Y520 I521 T538 W539 A542	N464-I478 CarbonylContact O-C 3.59Å; N464-I478 WeakPolarHBondContact O-CA 3.13Å; L465-I478 HydrophobicContact CD1-CD1 4.38Å; L465-I478 HydrophobicContact CD1-CG1 3.71Å; I476-I478 HydrophobicContact CG2-CG1 4.4Å; I478-R480 HydrophobicContact CG2-CG 4.3Å; I478-Y520 WeakPolarHBondContact O-CA 3.33Å; I478-I521 PolarHBondContact N-O 3.05Å; I478-I521 PolarHBondContact O-N 3.21Å; I478-T538 HydrophobicContact CD1-CG2 3.66Å; I478-T538 HydrophobicContact CG1-CG2 3.99Å; I478-W539 HydrophobicContact CD1-CB 4.48Å; I478-A542 HydrophobicContact CD1-CB 4.14Å
479	K	69.2	Low	55.1	Low	3 Å²	3	60.9 Å²	60.9	1%	0.013	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.8	167.9	173.8	-173	-171.2	-177.5	0	107.7	L461 N464 T481 F514 Y520	L461-K479 PolarHBondContact O-NZ 3.04Å; N464-K479 PolarHBondContact O-N 2.98Å; K479-T481 HydrophobicContact CD-CG2 4.45Å; K479-T481 HydrophobicContact CG-CG2 4.31Å; K479-F514 VanDerWaalsContact NZ-CG 3.27Å; K479-Y520 HydrophobicContact CB-CD1 3.83Å; K479-Y520 HydrophobicContact CB-CE1 3.6Å; K479-Y520 HydrophobicContact CD-CE1 3.99Å; K479-Y520 HydrophobicContact CG-CD1 4.18Å; K479-Y520 HydrophobicContact CG-CE1 3.53Å
480	R	59.9	Low	54.8	Low	30 Å²	30	61.2 Å²	61.2	11%	0.113	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116	171	-76.1	-164.2	164.6	-151.9	-2.8	109.4	I478 A519 I521 A542 E543 H546	I478-R480 HydrophobicContact CG2-CG 4.3Å; R480-A519 HydrophobicContact CB-CB 4.28Å; R480-A519 PolarHBondContact N-O 3.22Å; R480-A519 PolarHBondContact O-N 2.61Å; R480-I521 HydrophobicContact CG-CD1 4.25Å; R480-A542 PolarHBondContact NE-O 3.12Å; R480-A542 PolarHBondContact NH1-O 2.91Å; R480-A542 PolarHBondContact NH2-O 2.97Å; R480-E543 VanDerWaalsContact NH2-CA 3.31Å; R480-E543 VanDerWaalsContact NH2-N 3.13Å; R480-H546 PolarHBondContact NH1-CD2 3.21Å; R480-H546 VanDerWaalsContact NH1-CG 3.27Å
481	T	57.6	Low	54.2	Low	26 Å²	26	62.6 Å²	62.6	16%	0.16	31%	0.314	C	S	.	.			trans	-98.7	157.8	168.1	48.7	0	0	0	0	108.4	K479 Q485 F514	K479-T481 HydrophobicContact CD-CG2 4.45Å; K479-T481 HydrophobicContact CG-CG2 4.31Å; T481-Q485 PolarHBondContact OG1-OE1 2.92Å; T481-F514 HydrophobicContact CG2-CD1 3.96Å; T481-F514 HydrophobicContact CG2-CE1 3.35Å; T481-F514 HydrophobicContact CG2-CZ 4.14Å
482	Y	53.9	Low	53.3	Low	180 Å²	180	59.9 Å²	59.9	71%	0.706	30%	0.301	S	S	*	.			trans	-36.9	148.9	-176.2	-133.6	-104.2	0	0	0	115.3	E484 Q485	Y482-E484 PolarHBondContact O-N 3.23Å; Y482-Q485 PolarHBondContact O-N 2.97Å
483	A	50	Low	53	Low	72 Å²	72	59.5 Å²	59.5	60%	0.595	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-42.7	-27	-167.1	0	0	0	0	0	117.8	Q485 L486	A483-Q485 VanDerWaalsContact C-N 3.28Å; A483-Q485 PolarHBondContact O-N 3.31Å; A483-L486 WeakPolarHBondContact O-CB 3.32Å; A483-L486 PolarHBondContact O-N 3.48Å
484	E	45.5	Very low	52.3	Low	169 Å²	169	63.2 Å²	63.2	79%	0.79	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24.6	-178.5	-66.6	-179.2	164.6	0	0	114.2	Y482	Y482-E484 PolarHBondContact O-N 3.23Å
485	Q	48.4	Very low	51.6	Low	69 Å²	69	69.1 Å²	69.1	32%	0.322	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-84.6	-10.9	178.5	-67	-168.6	-2.8	0	0	113.8	N464 T481 Y482 A483 D487 Q488 L489	N464-Q485 PolarHBondContact ND2-OE1 3.44Å; T481-Q485 PolarHBondContact OG1-OE1 2.92Å; Y482-Q485 PolarHBondContact O-N 2.97Å; A483-Q485 VanDerWaalsContact C-N 3.28Å; A483-Q485 PolarHBondContact O-N 3.31Å; Q485-D487 VanDerWaalsContact C-N 3.32Å; Q485-D487 PolarHBondContact O-N 3.14Å; Q485-Q488 PolarHBondContact O-N 3.36Å; Q485-L489 PolarHBondContact O-N 2.97Å
486	L	44.5	Very low	51	Low	51 Å²	51	73.6 Å²	73.6	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-65.7	-36.2	-176.4	-145.7	89.4	0	0	0	111.8	A483 L489 K490	A483-L486 WeakPolarHBondContact O-CB 3.32Å; A483-L486 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 3.48Å; L486-K490 VanDerWaalsContact O-CG 3.3Å; L486-K490 WeakPolarHBondContact O-CG 3.38Å; L486-K490 PolarHBondContact O-N 3.05Å
487	D	45.1	Very low	50.3	Low	105 Å²	105	75 Å²	75	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-74.9	-29.7	-178.5	-72	-19.7	0	0	0	112.9	Q485 K490 S491	Q485-D487 VanDerWaalsContact C-N 3.32Å; Q485-D487 PolarHBondContact O-N 3.14Å; D487-K490 IonicContact OD1-NZ 3.46Å; D487-K490 PolarHBondContact OD1-NZ 3.01Å; D487-S491 PolarHBondContact O-N 3.4Å; D487-S491 VanDerWaalsContact O-N 3.13Å
488	Q	43	Very low	49	Very low	130 Å²	130	76 Å²	76	61%	0.607	38%	0.379	S	S	*	.	H	α-helix	trans	-68.6	-38.8	172.7	-67.1	-173.1	1.8	0	0	111.5	Q485 S491 H492	Q485-Q488 PolarHBondContact O-N 3.36Å; Q488-S491 PolarHBondContact O-N 3.17Å; Q488-S491 PolarHBondContact O-OG 2.97Å; Q488-H492 PolarHBondContact O-N 3.09Å
489	L	44.4	Very low	48.2	Very low	43 Å²	43	78.7 Å²	78.7	23%	0.225	39%	0.391	C	S	.	.	H	α-helix	trans	-69	-39.3	177	-90.1	166.5	0	0	0	112.4	Q485 L486 S491 H492 L497 W539	Q485-L489 PolarHBondContact O-N 2.97Å; L486-L489 PolarHBondContact O-N 3.48Å; L489-S491 VanDerWaalsContact C-N 3.26Å; L489-S491 PolarHBondContact O-N 3.18Å; L489-H492 PolarHBondContact O-N 3.5Å; L489-L497 HydrophobicContact CD2-CD2 3.96Å; L489-W539 HydrophobicContact CB-CH2 3.66Å; L489-W539 HydrophobicContact CB-CZ2 4.09Å; L489-W539 HydrophobicContact CD1-CH2 4.44Å; L489-W539 HydrophobicContact CD2-CH2 3.67Å; L489-W539 HydrophobicContact CD2-CZ3 4.03Å; L489-W539 HydrophobicContact CG-CH2 4.1Å
490	K	46.9	Very low	47.1	Very low	124 Å²	124	81.8 Å²	81.8	54%	0.539	41%	0.407	S	S	.	.	H	α-helix	trans	-61.2	-31.8	170.3	-72.2	171.8	-167.2	160.8	0	113	L486 D487 H492	L486-K490 VanDerWaalsContact O-CG 3.3Å; L486-K490 WeakPolarHBondContact O-CG 3.38Å; L486-K490 PolarHBondContact O-N 3.05Å; D487-K490 IonicContact OD1-NZ 3.46Å; D487-K490 PolarHBondContact OD1-NZ 3.01Å; K490-H492 VanDerWaalsContact C-N 3.31Å; K490-H492 PolarHBondContact O-N 2.95Å
491	S	43.5	Very low	46	Very low	84 Å²	84	82.4 Å²	82.4	59%	0.587	42%	0.419	S	S	*	.	H	α-helix	trans	-75.8	-16.6	-179	82.9	0	0	0	0	114	D487 Q488 L489 S493	D487-S491 PolarHBondContact O-N 3.4Å; D487-S491 VanDerWaalsContact O-N 3.13Å; Q488-S491 PolarHBondContact O-N 3.17Å; Q488-S491 PolarHBondContact O-OG 2.97Å; L489-S491 VanDerWaalsContact C-N 3.26Å; L489-S491 PolarHBondContact O-N 3.18Å; S491-S493 PolarHBondContact O-N 2.89Å
492	H	46.9	Very low	45.1	Very low	50 Å²	50	90 Å²	90	23%	0.231	45%	0.445	C	S	.	.	S	Bend	trans	-82.4	121.6	-177.7	-74.2	-3.8	0	0	0	110.7	Q488 L489 K490 K496 L497	Q488-H492 PolarHBondContact O-N 3.09Å; L489-H492 PolarHBondContact O-N 3.5Å; K490-H492 VanDerWaalsContact C-N 3.31Å; K490-H492 PolarHBondContact O-N 2.95Å; H492-K496 HydrophobicContact CB-CB 4.19Å; H492-K496 HydrophobicContact CB-CD 4.33Å; H492-K496 HydrophobicContact CB-CG 4.42Å; H492-K496 PolarHBondContact CE1-NZ 3.07Å; H492-K496 VanDerWaalsContact CE1-NZ 3.33Å; H492-L497 HydrophobicContact CB-CD2 4.5Å; H492-L497 HydrophobicContact CB-CG 4.26Å
493	S	44	Very low	44.5	Very low	71 Å²	71	89.7 Å²	89.7	50%	0.497	44%	0.442	S	S	.	.			trans	-56.6	148.4	171.8	64	0	0	0	0	110	S491 K495 K496 L497	S491-S493 PolarHBondContact O-N 2.89Å; S493-K495 PolarHBondContact O-N 3.37Å; S493-K496 WeakPolarHBondContact O-CA 3.31Å; S493-K496 WeakPolarHBondContact O-CB 3.08Å; S493-K496 PolarHBondContact O-N 3.38Å; S493-K496 PolarHBondContact OG-N 2.94Å; S493-L497 PolarHBondContact O-N 2.89Å; S493-L497 VanDerWaalsContact O-N 3.07Å
494	F	41.5	Very low	43.9	Very low	80 Å²	80	91.5 Å²	91.5	35%	0.351	44%	0.438	S	S	.	.	H	α-helix	trans	-46.5	-35.8	172.5	177.4	-102.6	0	0	0	112	K496 L497 M498 S532 W536	F494-K496 PolarHBondContact O-N 2.8Å; F494-L497 PolarHBondContact O-N 2.9Å; F494-M498 HydrophobicContact CD1-CG 4.15Å; F494-M498 HydrophobicContact CE1-CG 3.63Å; F494-M498 HydrophobicContact CE2-CG 4.03Å; F494-M498 HydrophobicContact CE2-SD 4.49Å; F494-M498 HydrophobicContact CZ-CG 3.53Å; F494-M498 HydrophobicContact CZ-SD 3.99Å; F494-M498 WeakPolarHBondContact O-CB 3.43Å; F494-M498 WeakPolarHBondContact O-CG 2.84Å; F494-M498 PolarHBondContact O-N 3.16Å; F494-S532 VanDerWaalsContact CZ-CB 3.49Å; F494-S532 WeakPolarHBondContact CZ-OG 3.36Å; F494-W536 HydrophobicContact CD2-CZ2 4.41Å; F494-W536 AromaticContact CD2-NE1 3.28Å; F494-W536 VanDerWaalsContact CD2-NE1 3.28Å; F494-W536 AromaticContact CE2-CD1 3.77Å; F494-W536 AromaticContact CE2-NE1 3.43Å
495	K	42.4	Very low	43.3	Very low	150 Å²	150	88.8 Å²	88.8	65%	0.652	44%	0.438	S	S	*	.	H	α-helix	trans	-60.3	-40.9	173.5	-165.6	175.3	-175.6	176.3	0	112.8	S493 Q499	S493-K495 PolarHBondContact O-N 3.37Å; K495-Q499 VanDerWaalsContact O-CB 3.32Å; K495-Q499 WeakPolarHBondContact O-CB 3.49Å; K495-Q499 WeakPolarHBondContact O-CG 3.27Å; K495-Q499 PolarHBondContact O-N 3.24Å
496	K	50.5	Low	42.4	Very low	94 Å²	94	91.2 Å²	91.2	41%	0.409	46%	0.458	S	S	.	.	H	α-helix	trans	-73.3	-37.7	177.8	-163.7	166.7	175.6	-179.1	0	111.9	H492 S493 F494 Q499 L500	H492-K496 HydrophobicContact CB-CB 4.19Å; H492-K496 HydrophobicContact CB-CD 4.33Å; H492-K496 HydrophobicContact CB-CG 4.42Å; H492-K496 PolarHBondContact CE1-NZ 3.07Å; H492-K496 VanDerWaalsContact CE1-NZ 3.33Å; S493-K496 WeakPolarHBondContact O-CA 3.31Å; S493-K496 WeakPolarHBondContact O-CB 3.08Å; S493-K496 PolarHBondContact O-N 3.38Å; S493-K496 PolarHBondContact OG-N 2.94Å; F494-K496 PolarHBondContact O-N 2.8Å; K496-Q499 CarbonylContact O-C 3.51Å; K496-Q499 WeakPolarHBondContact O-CB 3.49Å; K496-Q499 PolarHBondContact O-N 2.92Å; K496-L500 WeakPolarHBondContact O-CB 3.33Å; K496-L500 VanDerWaalsContact O-CG 3.26Å; K496-L500 WeakPolarHBondContact O-CG 3.49Å; K496-L500 PolarHBondContact O-N 3.44Å
497	L	46.5	Very low	41.8	Very low	30 Å²	30	93 Å²	93	16%	0.157	48%	0.48	C	S	.	.	H	α-helix	trans	-65.1	-43.4	171.7	-71.4	170.1	0	0	0	112	L489 H492 S493 F494 Q499 L500 A501 W539	L489-L497 HydrophobicContact CD2-CD2 3.96Å; H492-L497 HydrophobicContact CB-CD2 4.5Å; H492-L497 HydrophobicContact CB-CG 4.26Å; S493-L497 PolarHBondContact O-N 2.89Å; S493-L497 VanDerWaalsContact O-N 3.07Å; F494-L497 PolarHBondContact O-N 2.9Å; L497-Q499 VanDerWaalsContact C-N 3.32Å; L497-Q499 PolarHBondContact O-N 3.34Å; L497-L500 HydrophobicContact CD2-CD1 4.41Å; L497-L500 PolarHBondContact O-N 3.1Å; L497-A501 WeakPolarHBondContact O-CB 3.24Å; L497-A501 PolarHBondContact O-N 3.47Å; L497-W539 HydrophobicContact CD1-CH2 4.23Å; L497-W539 HydrophobicContact CD1-CZ3 3.99Å; L497-W539 HydrophobicContact CD2-CH2 4.43Å; L497-W539 HydrophobicContact CD2-CZ3 4.08Å
498	M	40.1	Very low	41.1	Very low	21 Å²	21	97.1 Å²	97.1	10%	0.103	49%	0.493	C	S	.	.	H	α-helix	trans	-64.1	-35.9	171.4	-76.9	-63.5	-74.8	0	0	112.3	F494 R502 L531 L535	F494-M498 HydrophobicContact CD1-CG 4.15Å; F494-M498 HydrophobicContact CE1-CG 3.63Å; F494-M498 HydrophobicContact CE2-CG 4.03Å; F494-M498 HydrophobicContact CE2-SD 4.49Å; F494-M498 HydrophobicContact CZ-CG 3.53Å; F494-M498 HydrophobicContact CZ-SD 3.99Å; F494-M498 WeakPolarHBondContact O-CB 3.43Å; F494-M498 WeakPolarHBondContact O-CG 2.84Å; F494-M498 PolarHBondContact O-N 3.16Å; M498-R502 VanDerWaalsContact O-CB 3.24Å; M498-R502 WeakPolarHBondContact O-CB 3.46Å; M498-R502 VanDerWaalsContact O-CG 3.25Å; M498-R502 WeakPolarHBondContact O-CG 3.34Å; M498-R502 PolarHBondContact O-N 2.74Å; M498-L531 HydrophobicContact CE-CD2 4.43Å; M498-L535 HydrophobicContact SD-CD1 3.77Å
499	Q	48	Very low	40.6	Very low	70 Å²	70	97.7 Å²	97.7	33%	0.327	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-40.1	172.6	-80.4	171.4	-1.5	0	0	111.7	K495 K496 L497 R502 R503	K495-Q499 VanDerWaalsContact O-CB 3.32Å; K495-Q499 WeakPolarHBondContact O-CB 3.49Å; K495-Q499 WeakPolarHBondContact O-CG 3.27Å; K495-Q499 PolarHBondContact O-N 3.24Å; K496-Q499 CarbonylContact O-C 3.51Å; K496-Q499 WeakPolarHBondContact O-CB 3.49Å; K496-Q499 PolarHBondContact O-N 2.92Å; L497-Q499 VanDerWaalsContact C-N 3.32Å; L497-Q499 PolarHBondContact O-N 3.34Å; Q499-R502 PolarHBondContact O-N 2.94Å; Q499-R503 WeakPolarHBondContact O-CB 3.3Å; Q499-R503 WeakPolarHBondContact O-CG 3.21Å; Q499-R503 PolarHBondContact O-N 2.67Å
500	L	46	Very low	40	Very low	68 Å²	68	100.4 Å²	100.4	36%	0.356	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-46.9	174.8	-73	165.4	0	0	0	110.5	K496 L497 R502 R503 Q504	K496-L500 WeakPolarHBondContact O-CB 3.33Å; K496-L500 VanDerWaalsContact O-CG 3.26Å; K496-L500 WeakPolarHBondContact O-CG 3.49Å; K496-L500 PolarHBondContact O-N 3.44Å; L497-L500 HydrophobicContact CD2-CD1 4.41Å; L497-L500 PolarHBondContact O-N 3.1Å; L500-R502 VanDerWaalsContact C-N 3.33Å; L500-R502 PolarHBondContact O-N 3.2Å; L500-R503 PolarHBondContact O-N 2.9Å; L500-Q504 PolarHBondContact O-N 3.35Å
501	A	38	Very low	39.4	Very low	43 Å²	43	101.3 Å²	101.3	36%	0.355	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-35.3	175.6	0	0	0	0	0	113	L465 L497	L465-A501 HydrophobicContact CD2-CB 4.5Å; L497-A501 WeakPolarHBondContact O-CB 3.24Å; L497-A501 PolarHBondContact O-N 3.47Å
502	R	37.9	Very low	38.8	Very low	187 Å²	187	104 Å²	104	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-83.2	-25.1	178	-74	-179.1	-179.1	-177.9	2.7	114.3	M498 Q499 L500	M498-R502 VanDerWaalsContact O-CB 3.24Å; M498-R502 WeakPolarHBondContact O-CB 3.46Å; M498-R502 VanDerWaalsContact O-CG 3.25Å; M498-R502 WeakPolarHBondContact O-CG 3.34Å; M498-R502 PolarHBondContact O-N 2.74Å; Q499-R502 PolarHBondContact O-N 2.94Å; L500-R502 VanDerWaalsContact C-N 3.33Å; L500-R502 PolarHBondContact O-N 3.2Å
503	R	42	Very low	38	Very low	173 Å²	173	108.5 Å²	108.5	65%	0.653	57%	0.567	S	S	*	*	H	α-helix	trans	-91.9	-15.7	-172.7	-77.2	178.3	171.5	175.6	-3.6	114.7	Q499 L500 S505 T506	Q499-R503 WeakPolarHBondContact O-CB 3.3Å; Q499-R503 WeakPolarHBondContact O-CG 3.21Å; Q499-R503 PolarHBondContact O-N 2.67Å; L500-R503 PolarHBondContact O-N 2.9Å; R503-S505 PolarHBondContact O-N 2.95Å; R503-T506 PolarHBondContact O-OG1 2.93Å
504	Q	37.1	Very low	37.5	Very low	109 Å²	109	109.9 Å²	109.9	51%	0.509	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	21.1	-167.9	-77	-167.9	-22.8	0	0	116.9	L500 T506	L500-Q504 PolarHBondContact O-N 3.35Å; Q504-T506 PolarHBondContact O-N 2.84Å
505	S	32.9	Very low	37.3	Very low	112 Å²	112	115.9 Å²	115.9	78%	0.783	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	3.9	164.1	58.2	0	0	0	0	114.2	R503	R503-S505 PolarHBondContact O-N 2.95Å
506	T	29.1	Very low	37.7	Very low	121 Å²	121	116.7 Å²	116.7	74%	0.742	59%	0.594	S	S	*	*	S	Bend	trans	-138.1	9.7	-169.7	49	0	0	0	0	116.9	R503 Q504 K508	R503-T506 PolarHBondContact O-OG1 2.93Å; Q504-T506 PolarHBondContact O-N 2.84Å; T506-K508 PolarHBondContact O-N 2.85Å
507	A	31.2	Very low	37.7	Very low	88 Å²	88	116.8 Å²	116.8	73%	0.727	60%	0.599	S	S	*	*			trans	-93.8	97.5	177.7	0	0	0	0	0	111.8
508	K	30.7	Very low	38.1	Very low	191 Å²	191	115.9 Å²	115.9	83%	0.83	60%	0.595	S	S	*	*			trans	-82.1	145.1	160.3	-98.7	-176.5	177.2	-179.4	0	109.5	T506	T506-K508 PolarHBondContact O-N 2.85Å
509	N	33.6	Very low	39	Very low	143 Å²	143	116.2 Å²	116.2	77%	0.765	60%	0.601	S	S	*	*			trans	106	110.4	157	-58.8	-11.7	0	0	0	117.9
510	S	32	Very low	39.7	Very low	100 Å²	100	113 Å²	113	70%	0.699	59%	0.586	S	S	*	*				76.9	131.2	123.3	64.1	0	0	0	0	121.5
511	D	33.6	Very low	40.4	Very low	142 Å²	142	110.2 Å²	110.2	76%	0.759	57%	0.571	S	S	*	*			trans	93.5	94.4	148.3	-60.9	-7.8	0	0	0	119.5
512	D	31.2	Very low	41.5	Very low	140 Å²	140	108.2 Å²	108.2	75%	0.749	55%	0.554	S	S	*	*				50.9	99.1	114.4	-73	-7	0	0	0	118.4
513	N	30.2	Very low	42.7	Very low	145 Å²	145	99.3 Å²	99.3	78%	0.775	52%	0.521	S	S	*	.				156.7	85.4	123.6	-82	-47.3	0	0	0	110.5
514	F	33.8	Very low	43.5	Very low	101 Å²	101	91.1 Å²	91.1	44%	0.443	49%	0.49	S	S	.	.			trans	-123.2	70.1	165.7	-80.4	-76.2	0	0	0	110.3	K479 T481	K479-F514 VanDerWaalsContact NZ-CG 3.27Å; T481-F514 HydrophobicContact CG2-CD1 3.96Å; T481-F514 HydrophobicContact CG2-CE1 3.35Å; T481-F514 HydrophobicContact CG2-CZ 4.14Å
515	K	36.7	Very low	44.4	Very low	206 Å²	206	86.1 Å²	86.1	90%	0.896	47%	0.467	S	S	*	.			trans	-101.2	46	168.8	-88.3	-170.3	174.2	-179.1	0	112.3
516	K	49.9	Very low	45.2	Very low	166 Å²	166	80.8 Å²	80.8	72%	0.722	43%	0.429	S	S	*	.	S	Bend	trans	-140.7	136.5	172.1	-70.6	-172.6	177.4	-178.7	0	109.3	S518	K516-S518 PolarHBondContact O-N 3.37Å; K516-S518 VanDerWaalsContact O-N 3.08Å
517	D	50.8	Low	45.6	Very low	96 Å²	96	76.3 Å²	76.3	51%	0.513	41%	0.408	S	S	.	.			trans	-33.3	107.7	-173.9	-68.1	-40.6	0	0	0	112.8	N437 W553	N437-D517 PolarHBondContact ND2-OD1 3.02Å; D517-W553 HydrophobicContact CB-CH2 4.38Å
518	S	55.2	Low	46	Very low	12 Å²	12	77.5 Å²	77.5	8%	0.084	40%	0.397	C	S	.	.			trans	-102.8	123.2	178.4	42.5	0	0	0	0	109.5	N437 K516 Y520	N437-S518 PolarHBondContact N-O 2.95Å; N437-S518 PolarHBondContact OD1-N 2.99Å; K516-S518 PolarHBondContact O-N 3.37Å; K516-S518 VanDerWaalsContact O-N 3.08Å; S518-Y520 VanDerWaalsContact CB-CE2 3.44Å; S518-Y520 WeakPolarHBondContact CB-OH 3.29Å; S518-Y520 WeakPolarHBondContact O-CD2 2.99Å; S518-Y520 WeakPolarHBondContact O-CE2 3.37Å; S518-Y520 WeakPolarHBondContact OG-CE2 3.22Å; S518-Y520 PolarHBondContact OG-OH 3.02Å
519	A	58.8	Low	46.6	Very low	27 Å²	27	69.7 Å²	69.7	22%	0.223	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.4	170.8	0	0	0	0	0	108.9	R480	R480-A519 HydrophobicContact CB-CB 4.28Å; R480-A519 PolarHBondContact N-O 3.22Å; R480-A519 PolarHBondContact O-N 2.61Å
520	Y	62.2	Low	46.9	Very low	4 Å²	4	66.8 Å²	66.8	2%	0.016	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.1	179.6	-61	-91.5	0	0	0	108.4	M435 F458 D459 L461 L477 I478 K479 S518	M435-Y520 PolarHBondContact N-O 3.26Å; M435-Y520 PolarHBondContact O-N 3.47Å; F458-Y520 VanDerWaalsContact C-CZ 3.41Å; F458-Y520 HydrophobicContact CB-CD1 3.76Å; F458-Y520 HydrophobicContact CB-CD2 3.62Å; F458-Y520 HydrophobicContact CB-CE1 3.64Å; F458-Y520 HydrophobicContact CB-CE2 3.53Å; F458-Y520 HydrophobicContact CB-CG 3.75Å; F458-Y520 AromaticContact CD1-CD1 3.72Å; F458-Y520 HydrophobicContact CD1-CD1 3.72Å; F458-Y520 HydrophobicContact CD1-CD2 4.48Å; F458-Y520 HydrophobicContact CD1-CE1 4.31Å; F458-Y520 AromaticContact CD1-CG 3.81Å; F458-Y520 HydrophobicContact CD1-CG 3.81Å; F458-Y520 HydrophobicContact CG-CD1 4.09Å; F458-Y520 HydrophobicContact CG-CD2 4.15Å; F458-Y520 HydrophobicContact CG-CE1 4.43Å; F458-Y520 AromaticContact CG-CG 3.93Å; F458-Y520 HydrophobicContact CG-CG 3.93Å; F458-Y520 WeakPolarHBondContact O-CE1 3.43Å; F458-Y520 PolarHBondContact O-OH 2.99Å; D459-Y520 PolarHBondContact N-OH 3.28Å; L461-Y520 HydrophobicContact CB-CE1 4.4Å; L461-Y520 HydrophobicContact CD1-CD1 4Å; L461-Y520 HydrophobicContact CD1-CE1 3.8Å; L477-Y520 HydrophobicContact CD1-CD1 4.38Å; I478-Y520 WeakPolarHBondContact O-CA 3.33Å; K479-Y520 HydrophobicContact CB-CD1 3.83Å; K479-Y520 HydrophobicContact CB-CE1 3.6Å; K479-Y520 HydrophobicContact CD-CE1 3.99Å; K479-Y520 HydrophobicContact CG-CD1 4.18Å; K479-Y520 HydrophobicContact CG-CE1 3.53Å; S518-Y520 VanDerWaalsContact CB-CE2 3.44Å; S518-Y520 WeakPolarHBondContact CB-OH 3.29Å; S518-Y520 WeakPolarHBondContact O-CD2 2.99Å; S518-Y520 WeakPolarHBondContact O-CE2 3.37Å; S518-Y520 WeakPolarHBondContact OG-CE2 3.22Å; S518-Y520 PolarHBondContact OG-OH 3.02Å
521	I	61.7	Low	47.4	Very low	9 Å²	9	65.1 Å²	65.1	5%	0.046	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	122	168.7	-69.6	109.1	0	0	0	107.7	L477 I478 R480 T538 A542 L545	L477-I521 CarbonylContact C-O 3.59Å; L477-I521 WeakPolarHBondContact CA-O 3.48Å; I478-I521 PolarHBondContact N-O 3.05Å; I478-I521 PolarHBondContact O-N 3.21Å; R480-I521 HydrophobicContact CG-CD1 4.25Å; I521-T538 HydrophobicContact CG2-CG2 4.1Å; I521-A542 HydrophobicContact CB-CB 4.12Å; I521-A542 HydrophobicContact CD1-CB 3.51Å; I521-A542 HydrophobicContact CG1-CB 4.03Å; I521-A542 HydrophobicContact CG2-CB 4.22Å; I521-L545 HydrophobicContact CG1-CB 4.39Å; I521-L545 HydrophobicContact CG1-CD1 4.02Å; I521-L545 HydrophobicContact CG2-CD1 4.32Å
522	V	61.6	Low	47.9	Very low	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.4	172.5	-152.5	0	0	0	0	108.8	V432 F433 M435 L453 F458 I476 L477	V432-V522 CarbonylContact C-O 3.56Å; V432-V522 WeakPolarHBondContact CA-O 3.34Å; F433-V522 HydrophobicContact CB-CB 4Å; F433-V522 HydrophobicContact CB-CG2 4.09Å; F433-V522 HydrophobicContact CD2-CB 4.13Å; F433-V522 PolarHBondContact N-O 2.75Å; F433-V522 PolarHBondContact O-N 3.37Å; F433-V522 VanDerWaalsContact O-O 3.09Å; M435-V522 HydrophobicContact CE-CG2 3.29Å; M435-V522 HydrophobicContact SD-CG2 4.42Å; L453-V522 HydrophobicContact CD1-CB 4.32Å; L453-V522 HydrophobicContact CD1-CG1 3.84Å; L453-V522 HydrophobicContact CD2-CG1 3.71Å; L453-V522 HydrophobicContact CG-CG1 4.37Å; F458-V522 HydrophobicContact CE1-CG2 4.39Å; I476-V522 CarbonylContact O-C 3.4Å; I476-V522 VanDerWaalsContact O-CA 3.26Å; I476-V522 WeakPolarHBondContact O-CA 3.21Å; L477-V522 HydrophobicContact CD1-CB 4.25Å; L477-V522 HydrophobicContact CD1-CG1 4.26Å; L477-V522 HydrophobicContact CD1-CG2 3.6Å
523	A	63.5	Low	48.6	Very low	1 Å²	1	56.9 Å²	56.9	1%	0.008	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.2	165	0	0	0	0	0	108.8	Y431 V432 C475 I476 Y525 T538	Y431-A523 CarbonylContact O-C 3.45Å; Y431-A523 VanDerWaalsContact O-CA 3.24Å; Y431-A523 WeakPolarHBondContact O-CA 3.49Å; V432-A523 HydrophobicContact CG2-CB 4.05Å; C475-A523 CarbonylContact C-O 3.57Å; C475-A523 WeakPolarHBondContact CA-O 3.33Å; I476-A523 PolarHBondContact N-O 2.9Å; I476-A523 PolarHBondContact O-N 3.4Å; A523-Y525 HydrophobicContact CB-CD2 4.25Å; A523-Y525 HydrophobicContact CB-CE2 3.35Å; A523-T538 HydrophobicContact CB-CG2 3.69Å
524	A	58.1	Low	49.5	Very low	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.4	174.2	0	0	0	0	0	108.5	E429 A430 Y431 L449 Y473 V474	E429-A524 VanDerWaalsContact O-O 3.1Å; A430-A524 CarbonylContact C-O 3.56Å; A430-A524 WeakPolarHBondContact CA-O 3.14Å; Y431-A524 PolarHBondContact N-O 3.05Å; Y431-A524 PolarHBondContact O-N 2.92Å; L449-A524 HydrophobicContact CD1-CB 4.16Å; L449-A524 HydrophobicContact CD2-CB 3.42Å; L449-A524 VanDerWaalsContact CD2-CB 3.42Å; L449-A524 HydrophobicContact CG-CB 4.32Å; Y473-A524 HydrophobicContact CG-CB 4.5Å; V474-A524 CarbonylContact O-C 3.6Å; V474-A524 WeakPolarHBondContact O-CA 3.41Å
525	Y	55.5	Low	50.2	Low	4 Å²	4	46.1 Å²	46.1	2%	0.016	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.4	178.9	-67.6	-83.5	0	0	0	108.3	E429 A430 Y473 V474 I476 A523 G527 I529 A534 Q537 T538	E429-Y525 CarbonylContact O-C 3.58Å; A430-Y525 HydrophobicContact CB-CD1 3.84Å; A430-Y525 HydrophobicContact CB-CE1 3.96Å; Y473-Y525 CarbonylContact C-O 3.55Å; Y473-Y525 WeakPolarHBondContact CA-O 3.48Å; V474-Y525 PolarHBondContact N-O 3.35Å; V474-Y525 PolarHBondContact O-N 2.99Å; I476-Y525 HydrophobicContact CD1-CD2 3.95Å; I476-Y525 HydrophobicContact CD1-CE2 3.83Å; I476-Y525 HydrophobicContact CG1-CD2 4.29Å; I476-Y525 HydrophobicContact CG1-CE2 4.32Å; A523-Y525 HydrophobicContact CB-CD2 4.25Å; A523-Y525 HydrophobicContact CB-CE2 3.35Å; Y525-G527 PolarHBondContact O-N 3.38Å; Y525-I529 HydrophobicContact CD1-CD1 3.6Å; Y525-I529 HydrophobicContact CD1-CG2 4.22Å; Y525-I529 HydrophobicContact CG-CD1 4.14Å; Y525-A534 HydrophobicContact CD1-CB 3.98Å; Y525-A534 HydrophobicContact CD2-CB 3.53Å; Y525-A534 HydrophobicContact CE1-CB 4.21Å; Y525-A534 HydrophobicContact CE2-CB 3.77Å; Y525-A534 HydrophobicContact CG-CB 3.62Å; Y525-A534 PolarHBondContact OH-O 2.94Å; Y525-Q537 HydrophobicContact CE1-CB 4.14Å; Y525-Q537 VanDerWaalsContact CE1-OE1 3.23Å; Y525-Q537 VanDerWaalsContact OH-CB 3.29Å; Y525-Q537 WeakPolarHBondContact OH-CB 3.43Å; Y525-T538 WeakPolarHBondContact CE2-OG1 3.43Å; Y525-T538 PolarHBondContact OH-N 2.92Å; Y525-T538 PolarHBondContact OH-OG1 2.96Å
526	A	49.3	Very low	50.9	Low	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-42	131.2	157.3	0	0	0	0	0	111	E429 F528 I529	E429-A526 PolarHBondContact O-N 2.84Å; A526-F528 HydrophobicContact CB-CD1 3.81Å; A526-F528 HydrophobicContact CB-CD2 3.96Å; A526-F528 HydrophobicContact CB-CE1 3.3Å; A526-F528 HydrophobicContact CB-CE2 3.54Å; A526-F528 HydrophobicContact CB-CG 4.12Å; A526-F528 HydrophobicContact CB-CZ 3.16Å; A526-F528 PolarHBondContact O-N 2.66Å; A526-I529 HydrophobicContact CB-CD1 4.3Å; A526-I529 HydrophobicContact CB-CG1 4.36Å; A526-I529 WeakPolarHBondContact O-CB 3.43Å; A526-I529 WeakPolarHBondContact O-CG1 3.5Å; A526-I529 PolarHBondContact O-N 3.26Å
527	G	37.6	Very low	50.9	Low	28 Å²	28	36.8 Å²	36.8	29%	0.289	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	1.4	-166.8	0	0	0	0	0	115	Q472 Y525	Q472-G527 WeakPolarHBondContact O-CA 2.97Å; Q472-G527 PolarHBondContact O-N 3.35Å; Y525-G527 PolarHBondContact O-N 3.38Å
528	F	40.7	Very low	51.1	Low	113 Å²	113	32.2 Å²	32.2	50%	0.496	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.9	172.9	35	-79	0	0	0	112.7	D427 A526	D427-F528 HydrophobicContact CB-CD2 3.94Å; D427-F528 HydrophobicContact CB-CE2 3.57Å; D427-F528 WeakPolarHBondContact O-CD2 3.28Å; D427-F528 WeakPolarHBondContact O-CE2 3.46Å; A526-F528 HydrophobicContact CB-CD1 3.81Å; A526-F528 HydrophobicContact CB-CD2 3.96Å; A526-F528 HydrophobicContact CB-CE1 3.3Å; A526-F528 HydrophobicContact CB-CE2 3.54Å; A526-F528 HydrophobicContact CB-CG 4.12Å; A526-F528 HydrophobicContact CB-CZ 3.16Å; A526-F528 PolarHBondContact O-N 2.66Å
529	I	42	Very low	51.1	Low	27 Å²	27	33.9 Å²	33.9	14%	0.138	17%	0.172	C	C	.	.	S	Bend	trans	-73.7	135.5	173.9	-62.7	177.8	0	0	0	109.9	A428 Y525 A526 L531 L533 A534	A428-I529 HydrophobicContact CB-CD1 3.49Å; A428-I529 VanDerWaalsContact CB-CD1 3.49Å; A428-I529 HydrophobicContact CB-CG1 4.14Å; Y525-I529 HydrophobicContact CD1-CD1 3.6Å; Y525-I529 HydrophobicContact CD1-CG2 4.22Å; Y525-I529 HydrophobicContact CG-CD1 4.14Å; A526-I529 HydrophobicContact CB-CD1 4.3Å; A526-I529 HydrophobicContact CB-CG1 4.36Å; A526-I529 WeakPolarHBondContact O-CB 3.43Å; A526-I529 WeakPolarHBondContact O-CG1 3.5Å; A526-I529 PolarHBondContact O-N 3.26Å; I529-L531 PolarHBondContact O-N 2.91Å; I529-L531 VanDerWaalsContact O-N 3.1Å; I529-L533 HydrophobicContact CG2-CD2 4.45Å; I529-A534 HydrophobicContact CG2-CB 4.07Å
530	N	41.1	Very low	50.8	Low	82 Å²	82	34.3 Å²	34.3	44%	0.439	17%	0.168	S	C	.	.			trans	-53.9	118.1	173	-178.4	-38.4	0	0	0	109.8	S532 L533 A534	N530-S532 PolarHBondContact O-N 3.26Å; N530-S532 VanDerWaalsContact O-N 3.11Å; N530-S532 WeakPolarHBondContact OD1-CA 3.45Å; N530-S532 WeakPolarHBondContact OD1-CB 3.43Å; N530-S532 PolarHBondContact OD1-N 2.8Å; N530-S532 PolarHBondContact OD1-OG 3.25Å; N530-L533 HydrophobicContact CB-CB 4.05Å; N530-L533 CarbonylContact O-C 3.56Å; N530-L533 WeakPolarHBondContact O-CA 3.4Å; N530-L533 WeakPolarHBondContact O-CB 3.23Å; N530-L533 PolarHBondContact O-N 2.9Å; N530-A534 PolarHBondContact O-N 2.96Å
531	L	41.8	Very low	50.5	Low	64 Å²	64	34.9 Å²	34.9	34%	0.335	17%	0.171	S	C	.	.	H	α-helix	trans	-53.3	-35.5	-178.8	-177.6	66.1	0	0	0	112.8	V474 I476 M498 I529 A534 L535	V474-L531 HydrophobicContact CG1-CD1 3.91Å; I476-L531 HydrophobicContact CD1-CD1 4.35Å; M498-L531 HydrophobicContact CE-CD2 4.43Å; I529-L531 PolarHBondContact O-N 2.91Å; I529-L531 VanDerWaalsContact O-N 3.1Å; L531-A534 PolarHBondContact O-N 3.39Å; L531-L535 HydrophobicContact CD1-CD1 4.39Å; L531-L535 HydrophobicContact CD1-CG 4.32Å; L531-L535 HydrophobicContact CG-CD1 3.99Å; L531-L535 HydrophobicContact CG-CG 4.37Å; L531-L535 WeakPolarHBondContact O-CB 2.94Å; L531-L535 VanDerWaalsContact O-CG 3.32Å; L531-L535 WeakPolarHBondContact O-CG 3.34Å; L531-L535 PolarHBondContact O-N 3.19Å
532	S	44.2	Very low	50.2	Low	19 Å²	19	34.5 Å²	34.5	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-47.5	175.4	-50.9	0	0	0	0	110.6	F494 N530 W536	F494-S532 VanDerWaalsContact CZ-CB 3.49Å; F494-S532 WeakPolarHBondContact CZ-OG 3.36Å; N530-S532 PolarHBondContact O-N 3.26Å; N530-S532 VanDerWaalsContact O-N 3.11Å; N530-S532 WeakPolarHBondContact OD1-CA 3.45Å; N530-S532 WeakPolarHBondContact OD1-CB 3.43Å; N530-S532 PolarHBondContact OD1-N 2.8Å; N530-S532 PolarHBondContact OD1-OG 3.25Å; S532-W536 WeakPolarHBondContact O-CB 3.31Å; S532-W536 PolarHBondContact O-N 3.28Å
533	L	45.4	Very low	50	Low	91 Å²	91	37.7 Å²	37.7	48%	0.476	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-45.2	176.7	-178.5	63.4	0	0	0	110.8	I529 N530 W536 Q537	I529-L533 HydrophobicContact CG2-CD2 4.45Å; N530-L533 HydrophobicContact CB-CB 4.05Å; N530-L533 CarbonylContact O-C 3.56Å; N530-L533 WeakPolarHBondContact O-CA 3.4Å; N530-L533 WeakPolarHBondContact O-CB 3.23Å; N530-L533 PolarHBondContact O-N 2.9Å; L533-W536 PolarHBondContact O-N 3.17Å; L533-Q537 HydrophobicContact CD1-CG 4.14Å; L533-Q537 HydrophobicContact CG-CG 4.29Å; L533-Q537 WeakPolarHBondContact O-CB 3.29Å; L533-Q537 VanDerWaalsContact O-CG 3.23Å; L533-Q537 WeakPolarHBondContact O-CG 3.34Å; L533-Q537 PolarHBondContact O-N 3.3Å
534	A	48.8	Very low	49.6	Very low	1 Å²	1	40.5 Å²	40.5	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-52.4	177.2	0	0	0	0	0	111.8	I476 Y525 I529 N530 L531 W536 Q537 T538	I476-A534 VanDerWaalsContact CD1-C 3.5Å; I476-A534 HydrophobicContact CD1-CB 3.55Å; Y525-A534 HydrophobicContact CD1-CB 3.98Å; Y525-A534 HydrophobicContact CD2-CB 3.53Å; Y525-A534 HydrophobicContact CE1-CB 4.21Å; Y525-A534 HydrophobicContact CE2-CB 3.77Å; Y525-A534 HydrophobicContact CG-CB 3.62Å; Y525-A534 PolarHBondContact OH-O 2.94Å; I529-A534 HydrophobicContact CG2-CB 4.07Å; N530-A534 PolarHBondContact O-N 2.96Å; L531-A534 PolarHBondContact O-N 3.39Å; A534-W536 VanDerWaalsContact C-N 3.33Å; A534-W536 PolarHBondContact O-N 3.1Å; A534-Q537 PolarHBondContact O-N 2.84Å; A534-T538 PolarHBondContact O-N 2.82Å; A534-T538 PolarHBondContact O-OG1 3.02Å
535	L	49.9	Very low	49.3	Very low	19 Å²	19	41.1 Å²	41.1	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-57.7	-43.5	176.5	-76.9	167.6	0	0	0	112.1	L465 I476 M498 L531 W539	L465-L535 HydrophobicContact CD1-CD2 3.94Å; L465-L535 HydrophobicContact CD2-CD2 3.93Å; L465-L535 HydrophobicContact CG-CD2 4.46Å; I476-L535 HydrophobicContact CD1-CB 4.44Å; I476-L535 HydrophobicContact CD1-CD2 3.93Å; I476-L535 HydrophobicContact CD1-CG 3.93Å; I476-L535 HydrophobicContact CG1-CD2 4.49Å; I476-L535 HydrophobicContact CG2-CD2 3.82Å; M498-L535 HydrophobicContact SD-CD1 3.77Å; L531-L535 HydrophobicContact CD1-CD1 4.39Å; L531-L535 HydrophobicContact CD1-CG 4.32Å; L531-L535 HydrophobicContact CG-CD1 3.99Å; L531-L535 HydrophobicContact CG-CG 4.37Å; L531-L535 WeakPolarHBondContact O-CB 2.94Å; L531-L535 VanDerWaalsContact O-CG 3.32Å; L531-L535 WeakPolarHBondContact O-CG 3.34Å; L531-L535 PolarHBondContact O-N 3.19Å; L535-W539 VanDerWaalsContact O-CB 3.28Å; L535-W539 WeakPolarHBondContact O-CB 3.37Å; L535-W539 PolarHBondContact O-N 3.37Å
536	W	50.8	Low	49.2	Very low	120 Å²	120	43.7 Å²	43.7	46%	0.455	21%	0.213	S	C	.	.	H	α-helix	trans	-65.3	-42	177	-89.3	107.4	0	0	0	112.5	F494 S532 L533 A534 W539 Y540	F494-W536 HydrophobicContact CD2-CZ2 4.41Å; F494-W536 AromaticContact CD2-NE1 3.28Å; F494-W536 VanDerWaalsContact CD2-NE1 3.28Å; F494-W536 AromaticContact CE2-CD1 3.77Å; F494-W536 AromaticContact CE2-NE1 3.43Å; S532-W536 WeakPolarHBondContact O-CB 3.31Å; S532-W536 PolarHBondContact O-N 3.28Å; L533-W536 PolarHBondContact O-N 3.17Å; A534-W536 VanDerWaalsContact C-N 3.33Å; A534-W536 PolarHBondContact O-N 3.1Å; W536-W539 PolarHBondContact O-N 2.85Å; W536-Y540 WeakPolarHBondContact O-CB 3.42Å; W536-Y540 PolarHBondContact O-N 3.02Å
537	Q	51.1	Low	49.3	Very low	55 Å²	55	47.1 Å²	47.1	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-66.5	-43.6	177.9	-74.4	176.4	-37.7	0	0	111	F410 Y525 L533 A534 W539 Y540 L541	F410-Q537 HydrophobicContact CE2-CB 3.86Å; F410-Q537 HydrophobicContact CE2-CG 3.94Å; F410-Q537 HydrophobicContact CZ-CB 4.49Å; F410-Q537 WeakPolarHBondContact CZ-O 3.49Å; Y525-Q537 HydrophobicContact CE1-CB 4.14Å; Y525-Q537 VanDerWaalsContact CE1-OE1 3.23Å; Y525-Q537 VanDerWaalsContact OH-CB 3.29Å; Y525-Q537 WeakPolarHBondContact OH-CB 3.43Å; L533-Q537 HydrophobicContact CD1-CG 4.14Å; L533-Q537 HydrophobicContact CG-CG 4.29Å; L533-Q537 WeakPolarHBondContact O-CB 3.29Å; L533-Q537 VanDerWaalsContact O-CG 3.23Å; L533-Q537 WeakPolarHBondContact O-CG 3.34Å; L533-Q537 PolarHBondContact O-N 3.3Å; A534-Q537 PolarHBondContact O-N 2.84Å; Q537-W539 VanDerWaalsContact C-N 3.3Å; Q537-W539 PolarHBondContact O-N 2.91Å; Q537-Y540 PolarHBondContact O-N 3.5Å; Q537-L541 WeakPolarHBondContact O-CB 3.29Å; Q537-L541 PolarHBondContact O-N 3.26Å
538	T	53.4	Low	49.7	Very low	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-40	176.5	-45	0	0	0	0	110.8	I476 I478 I521 A523 Y525 A534 A542	I476-T538 HydrophobicContact CB-CG2 4.14Å; I476-T538 HydrophobicContact CG2-CG2 3.83Å; I478-T538 HydrophobicContact CD1-CG2 3.66Å; I478-T538 HydrophobicContact CG1-CG2 3.99Å; I521-T538 HydrophobicContact CG2-CG2 4.1Å; A523-T538 HydrophobicContact CB-CG2 3.69Å; Y525-T538 WeakPolarHBondContact CE2-OG1 3.43Å; Y525-T538 PolarHBondContact OH-N 2.92Å; Y525-T538 PolarHBondContact OH-OG1 2.96Å; A534-T538 PolarHBondContact O-N 2.82Å; A534-T538 PolarHBondContact O-OG1 3.02Å; T538-A542 VanDerWaalsContact O-CB 3.25Å; T538-A542 WeakPolarHBondContact O-CB 3.27Å; T538-A542 PolarHBondContact O-N 2.96Å
539	W	55.9	Low	49.9	Very low	47 Å²	47	45.4 Å²	45.4	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-49.2	177.9	-171.3	-68.8	0	0	0	112.4	I478 L489 L497 L535 W536 Q537 L541 A542 E543	I478-W539 HydrophobicContact CD1-CB 4.48Å; L489-W539 HydrophobicContact CB-CH2 3.66Å; L489-W539 HydrophobicContact CB-CZ2 4.09Å; L489-W539 HydrophobicContact CD1-CH2 4.44Å; L489-W539 HydrophobicContact CD2-CH2 3.67Å; L489-W539 HydrophobicContact CD2-CZ3 4.03Å; L489-W539 HydrophobicContact CG-CH2 4.1Å; L497-W539 HydrophobicContact CD1-CH2 4.23Å; L497-W539 HydrophobicContact CD1-CZ3 3.99Å; L497-W539 HydrophobicContact CD2-CH2 4.43Å; L497-W539 HydrophobicContact CD2-CZ3 4.08Å; L535-W539 VanDerWaalsContact O-CB 3.28Å; L535-W539 WeakPolarHBondContact O-CB 3.37Å; L535-W539 PolarHBondContact O-N 3.37Å; W536-W539 PolarHBondContact O-N 2.85Å; Q537-W539 VanDerWaalsContact C-N 3.3Å; Q537-W539 PolarHBondContact O-N 2.91Å; W539-L541 PolarHBondContact O-N 2.56Å; W539-A542 WeakPolarHBondContact O-CB 3.4Å; W539-A542 PolarHBondContact O-N 3.05Å; W539-A542 VanDerWaalsContact O-N 3.12Å; W539-E543 PolarHBondContact NE1-OE1 3.15Å; W539-E543 PolarHBondContact O-N 2.89Å
540	Y	53.4	Low	50.2	Low	36 Å²	36	48.8 Å²	48.8	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-41.5	178.5	-178.4	-92.5	0	0	0	110.8	K407 F410 W536 Q537 E543 Q544	K407-Y540 HydrophobicContact CG-CE2 4.4Å; F410-Y540 HydrophobicContact CB-CD1 3.84Å; F410-Y540 HydrophobicContact CB-CE1 3.43Å; F410-Y540 VanDerWaalsContact CB-CE1 3.43Å; F410-Y540 AromaticContact CD1-CD1 3.32Å; F410-Y540 HydrophobicContact CD1-CD1 3.32Å; F410-Y540 AromaticContact CD1-CE1 3.38Å; F410-Y540 HydrophobicContact CD1-CE1 3.38Å; F410-Y540 AromaticContact CD2-CD1 3.63Å; F410-Y540 HydrophobicContact CD2-CD1 3.63Å; F410-Y540 HydrophobicContact CD2-CE1 4.16Å; F410-Y540 HydrophobicContact CD2-CG 4.38Å; F410-Y540 AromaticContact CE1-CD1 3.69Å; F410-Y540 HydrophobicContact CE1-CD1 3.69Å; F410-Y540 HydrophobicContact CE1-CE1 4.17Å; F410-Y540 AromaticContact CE2-CD1 3.99Å; F410-Y540 HydrophobicContact CE2-CD1 3.99Å; F410-Y540 AromaticContact CG-CD1 3.29Å; F410-Y540 HydrophobicContact CG-CD1 3.29Å; F410-Y540 AromaticContact CG-CE1 3.37Å; F410-Y540 HydrophobicContact CG-CE1 3.37Å; F410-Y540 HydrophobicContact CG-CG 4.37Å; F410-Y540 HydrophobicContact CZ-CD1 4.03Å; W536-Y540 WeakPolarHBondContact O-CB 3.42Å; W536-Y540 PolarHBondContact O-N 3.02Å; Q537-Y540 PolarHBondContact O-N 3.5Å; Y540-E543 WeakPolarHBondContact O-CB 3.07Å; Y540-E543 PolarHBondContact O-N 3.26Å; Y540-Q544 HydrophobicContact CD1-CG 4.01Å; Y540-Q544 HydrophobicContact CE1-CG 3.57Å; Y540-Q544 WeakPolarHBondContact O-CG 3.49Å; Y540-Q544 PolarHBondContact O-N 2.89Å
541	L	54.7	Low	50.3	Low	16 Å²	16	50.3 Å²	50.3	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-37.5	175.5	-174.1	54.8	0	0	0	112.9	F410 V432 Q537 W539 E543 Q544 L545	F410-L541 HydrophobicContact CE1-CB 3.97Å; F410-L541 HydrophobicContact CE1-CD1 3.92Å; F410-L541 HydrophobicContact CE1-CG 4.37Å; F410-L541 HydrophobicContact CZ-CB 3.78Å; F410-L541 HydrophobicContact CZ-CD1 4.43Å; F410-L541 HydrophobicContact CZ-CD2 4.28Å; F410-L541 HydrophobicContact CZ-CG 4.42Å; V432-L541 HydrophobicContact CB-CD2 3.67Å; V432-L541 HydrophobicContact CG1-CD1 4.42Å; V432-L541 HydrophobicContact CG1-CD2 3.12Å; V432-L541 HydrophobicContact CG1-CG 3.88Å; V432-L541 HydrophobicContact CG2-CD2 3.22Å; Q537-L541 WeakPolarHBondContact O-CB 3.29Å; Q537-L541 PolarHBondContact O-N 3.26Å; W539-L541 PolarHBondContact O-N 2.56Å; L541-E543 PolarHBondContact O-N 3.44Å; L541-Q544 PolarHBondContact O-N 3.22Å; L541-L545 HydrophobicContact CD1-CD1 4.13Å; L541-L545 HydrophobicContact CD1-CD2 4.41Å; L541-L545 HydrophobicContact CD1-CG 3.9Å; L541-L545 HydrophobicContact CG-CD1 4.03Å; L541-L545 HydrophobicContact CG-CG 4.21Å; L541-L545 VanDerWaalsContact O-CB 3.25Å; L541-L545 WeakPolarHBondContact O-CB 3.13Å; L541-L545 VanDerWaalsContact O-CG 3.27Å; L541-L545 WeakPolarHBondContact O-CG 3.23Å; L541-L545 PolarHBondContact O-N 2.95Å
542	A	55.7	Low	50	Low	1 Å²	1	49.4 Å²	49.4	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-37	171.3	0	0	0	0	0	111.7	I478 R480 I521 T538 W539 H546	I478-A542 HydrophobicContact CD1-CB 4.14Å; R480-A542 PolarHBondContact NE-O 3.12Å; R480-A542 PolarHBondContact NH1-O 2.91Å; R480-A542 PolarHBondContact NH2-O 2.97Å; I521-A542 HydrophobicContact CB-CB 4.12Å; I521-A542 HydrophobicContact CD1-CB 3.51Å; I521-A542 HydrophobicContact CG1-CB 4.03Å; I521-A542 HydrophobicContact CG2-CB 4.22Å; T538-A542 VanDerWaalsContact O-CB 3.25Å; T538-A542 WeakPolarHBondContact O-CB 3.27Å; T538-A542 PolarHBondContact O-N 2.96Å; W539-A542 WeakPolarHBondContact O-CB 3.4Å; W539-A542 PolarHBondContact O-N 3.05Å; W539-A542 VanDerWaalsContact O-N 3.12Å; A542-H546 WeakPolarHBondContact O-CB 3.49Å; A542-H546 PolarHBondContact O-N 3.16Å; A542-H546 VanDerWaalsContact O-N 3.14Å
543	E	57	Low	49.6	Very low	68 Å²	68	54 Å²	54	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-48.5	173.2	-69.9	178.6	172.2	0	0	111.6	R480 W539 Y540 L541 L545 H546 D547	R480-E543 VanDerWaalsContact NH2-CA 3.31Å; R480-E543 VanDerWaalsContact NH2-N 3.13Å; W539-E543 PolarHBondContact NE1-OE1 3.15Å; W539-E543 PolarHBondContact O-N 2.89Å; Y540-E543 WeakPolarHBondContact O-CB 3.07Å; Y540-E543 PolarHBondContact O-N 3.26Å; L541-E543 PolarHBondContact O-N 3.44Å; E543-L545 PolarHBondContact O-N 3.17Å; E543-H546 WeakPolarHBondContact O-CB 3.3Å; E543-H546 PolarHBondContact O-N 2.96Å; E543-D547 PolarHBondContact O-N 3.2Å
544	Q	55	Low	49.2	Very low	60 Å²	60	57.6 Å²	57.6	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-65	-41.3	179	-67.2	-59.5	-57.4	0	0	113.1	Y540 L541 H546 D547 L548	Y540-Q544 HydrophobicContact CD1-CG 4.01Å; Y540-Q544 HydrophobicContact CE1-CG 3.57Å; Y540-Q544 WeakPolarHBondContact O-CG 3.49Å; Y540-Q544 PolarHBondContact O-N 2.89Å; L541-Q544 PolarHBondContact O-N 3.22Å; Q544-H546 VanDerWaalsContact C-N 3.27Å; Q544-H546 PolarHBondContact O-N 2.92Å; Q544-D547 PolarHBondContact O-N 3.32Å; Q544-L548 PolarHBondContact O-N 2.82Å
545	L	52.4	Low	48.5	Very low	12 Å²	12	66 Å²	66	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-29.8	177	-72	-177.1	0	0	0	111.8	V432 L442 I521 L541 E543 L548 V549	V432-L545 HydrophobicContact CG1-CD1 4.26Å; L442-L545 HydrophobicContact CD1-CD1 4.22Å; L442-L545 HydrophobicContact CD1-CD2 3.22Å; L442-L545 HydrophobicContact CD1-CG 4.33Å; I521-L545 HydrophobicContact CG1-CB 4.39Å; I521-L545 HydrophobicContact CG1-CD1 4.02Å; I521-L545 HydrophobicContact CG2-CD1 4.32Å; L541-L545 HydrophobicContact CD1-CD1 4.13Å; L541-L545 HydrophobicContact CD1-CD2 4.41Å; L541-L545 HydrophobicContact CD1-CG 3.9Å; L541-L545 HydrophobicContact CG-CD1 4.03Å; L541-L545 HydrophobicContact CG-CG 4.21Å; L541-L545 VanDerWaalsContact O-CB 3.25Å; L541-L545 WeakPolarHBondContact O-CB 3.13Å; L541-L545 VanDerWaalsContact O-CG 3.27Å; L541-L545 WeakPolarHBondContact O-CG 3.23Å; L541-L545 PolarHBondContact O-N 2.95Å; E543-L545 PolarHBondContact O-N 3.17Å; L545-L548 HydrophobicContact CD2-CD1 4.19Å; L545-V549 WeakPolarHBondContact O-CA 3.44Å; L545-V549 WeakPolarHBondContact O-CB 3.47Å; L545-V549 WeakPolarHBondContact O-CG2 3.46Å; L545-V549 PolarHBondContact O-N 3.06Å
546	H	53.5	Low	47.6	Very low	59 Å²	59	70.9 Å²	70.9	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-45.5	171.8	173.2	-81.1	0	0	0	111.5	R480 A542 E543 Q544 L548 V549 E550	R480-H546 PolarHBondContact NH1-CD2 3.21Å; R480-H546 VanDerWaalsContact NH1-CG 3.27Å; A542-H546 WeakPolarHBondContact O-CB 3.49Å; A542-H546 PolarHBondContact O-N 3.16Å; A542-H546 VanDerWaalsContact O-N 3.14Å; E543-H546 WeakPolarHBondContact O-CB 3.3Å; E543-H546 PolarHBondContact O-N 2.96Å; Q544-H546 VanDerWaalsContact C-N 3.27Å; Q544-H546 PolarHBondContact O-N 2.92Å; H546-L548 VanDerWaalsContact C-N 3.31Å; H546-L548 PolarHBondContact O-N 3.29Å; H546-V549 PolarHBondContact O-N 3.26Å; H546-E550 IonicContact CE1-OE1 2.84Å; H546-E550 PolarHBondContact CE1-OE1 3.4Å; H546-E550 IonicContact CE1-OE2 3.95Å; H546-E550 PolarHBondContact CE1-OE2 2.79Å; H546-E550 VanDerWaalsContact CE1-OE2 3.25Å; H546-E550 IonicContact ND1-OE2 3.03Å; H546-E550 IonicContact NE2-OE1 3.96Å; H546-E550 WeakPolarHBondContact O-CB 3.42Å; H546-E550 WeakPolarHBondContact O-CG 3.41Å; H546-E550 PolarHBondContact O-N 3.25Å
547	D	51.4	Low	46.7	Very low	71 Å²	71	70.5 Å²	70.5	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177.3	-62.1	-13.6	0	0	0	110.7	E543 Q544 Q551	E543-D547 PolarHBondContact O-N 3.2Å; Q544-D547 PolarHBondContact O-N 3.32Å; D547-Q551 VanDerWaalsContact O-CB 3.26Å; D547-Q551 WeakPolarHBondContact O-CB 3.37Å; D547-Q551 WeakPolarHBondContact O-CG 3.33Å; D547-Q551 PolarHBondContact O-N 3.46Å
548	L	45.7	Very low	45.8	Very low	79 Å²	79	71.6 Å²	71.6	41%	0.414	36%	0.359	S	S	.	.	H	α-helix	trans	-65.9	-39.4	173.7	-84.8	155.8	0	0	0	113.1	Q544 L545 H546 S552	Q544-L548 PolarHBondContact O-N 2.82Å; L545-L548 HydrophobicContact CD2-CD1 4.19Å; H546-L548 VanDerWaalsContact C-N 3.31Å; H546-L548 PolarHBondContact O-N 3.29Å; L548-S552 WeakPolarHBondContact O-CB 3.42Å; L548-S552 PolarHBondContact O-N 3.04Å; L548-S552 PolarHBondContact O-OG 2.97Å
549	V	44.6	Very low	44.9	Very low	27 Å²	27	77.3 Å²	77.3	16%	0.164	40%	0.396	C	S	.	.	H	α-helix	trans	-71.8	-41.6	179.3	166.3	0	0	0	0	110.2	T436 L545 H546 S552 W553	T436-V549 HydrophobicContact CG2-CG1 4.35Å; L545-V549 WeakPolarHBondContact O-CA 3.44Å; L545-V549 WeakPolarHBondContact O-CB 3.47Å; L545-V549 WeakPolarHBondContact O-CG2 3.46Å; L545-V549 PolarHBondContact O-N 3.06Å; H546-V549 PolarHBondContact O-N 3.26Å; V549-S552 WeakPolarHBondContact CA-OG 3.31Å; V549-S552 CarbonylContact O-C 3.57Å; V549-S552 PolarHBondContact O-N 2.81Å; V549-S552 PolarHBondContact O-OG 2.9Å; V549-W553 HydrophobicContact CG1-CE3 3.56Å; V549-W553 HydrophobicContact CG1-CZ3 3.82Å; V549-W553 VanDerWaalsContact O-CB 3.27Å; V549-W553 WeakPolarHBondContact O-CB 3.48Å; V549-W553 PolarHBondContact O-N 3.1Å
550	E	47.6	Very low	43.8	Very low	98 Å²	98	83 Å²	83	46%	0.458	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-44.9	171.9	-79	-169.1	150.6	0	0	111.3	H546 S552 W553 Q554	H546-E550 IonicContact CE1-OE1 2.84Å; H546-E550 PolarHBondContact CE1-OE1 3.4Å; H546-E550 IonicContact CE1-OE2 3.95Å; H546-E550 PolarHBondContact CE1-OE2 2.79Å; H546-E550 VanDerWaalsContact CE1-OE2 3.25Å; H546-E550 IonicContact ND1-OE2 3.03Å; H546-E550 IonicContact NE2-OE1 3.96Å; H546-E550 WeakPolarHBondContact O-CB 3.42Å; H546-E550 WeakPolarHBondContact O-CG 3.41Å; H546-E550 PolarHBondContact O-N 3.25Å; E550-S552 PolarHBondContact O-N 3.29Å; E550-W553 PolarHBondContact O-N 2.94Å; E550-Q554 WeakPolarHBondContact O-CG 3.17Å; E550-Q554 PolarHBondContact O-N 3.02Å; E550-Q554 VanDerWaalsContact O-N 3.09Å
551	Q	44.5	Very low	42.7	Very low	113 Å²	113	89.4 Å²	89.4	53%	0.528	49%	0.491	S	S	.	.	H	α-helix	trans	-60.5	-44.3	175.1	-75	169.3	23.4	0	0	111.3	D547 Q554 F555	D547-Q551 VanDerWaalsContact O-CB 3.26Å; D547-Q551 WeakPolarHBondContact O-CB 3.37Å; D547-Q551 WeakPolarHBondContact O-CG 3.33Å; D547-Q551 PolarHBondContact O-N 3.46Å; Q551-Q554 PolarHBondContact O-N 3.35Å; Q551-F555 WeakPolarHBondContact O-CD2 3.39Å
552	S	34.7	Very low	42.1	Very low	46 Å²	46	93.1 Å²	93.1	32%	0.322	51%	0.511	S	S	.	.	H	α-helix	trans	-76	-22	177.6	51.1	0	0	0	0	113.9	L548 V549 E550 Q554 F555	L548-S552 WeakPolarHBondContact O-CB 3.42Å; L548-S552 PolarHBondContact O-N 3.04Å; L548-S552 PolarHBondContact O-OG 2.97Å; V549-S552 WeakPolarHBondContact CA-OG 3.31Å; V549-S552 CarbonylContact O-C 3.57Å; V549-S552 PolarHBondContact O-N 2.81Å; V549-S552 PolarHBondContact O-OG 2.9Å; E550-S552 PolarHBondContact O-N 3.29Å; S552-Q554 VanDerWaalsContact C-N 3.33Å; S552-F555 PolarHBondContact O-N 3.28Å
553	W	36.4	Very low	41.4	Very low	115 Å²	115	97.9 Å²	97.9	44%	0.436	54%	0.537	S	S	.	.	H	α-helix	trans	-68.4	-35.1	170.2	-138.4	-59.4	0	0	0	111.2	D517 V549 E550 F555 H556	D517-W553 HydrophobicContact CB-CH2 4.38Å; V549-W553 HydrophobicContact CG1-CE3 3.56Å; V549-W553 HydrophobicContact CG1-CZ3 3.82Å; V549-W553 VanDerWaalsContact O-CB 3.27Å; V549-W553 WeakPolarHBondContact O-CB 3.48Å; V549-W553 PolarHBondContact O-N 3.1Å; E550-W553 PolarHBondContact O-N 2.94Å; W553-F555 PolarHBondContact O-N 3.04Å; W553-H556 PolarHBondContact O-N 3.26Å
554	Q	36.7	Very low	40.6	Very low	167 Å²	167	99.6 Å²	99.6	78%	0.78	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.4	174	-68.6	177.8	4.7	0	0	112.9	E550 Q551 S552	E550-Q554 WeakPolarHBondContact O-CG 3.17Å; E550-Q554 PolarHBondContact O-N 3.02Å; E550-Q554 VanDerWaalsContact O-N 3.09Å; Q551-Q554 PolarHBondContact O-N 3.35Å; S552-Q554 VanDerWaalsContact C-N 3.33Å
555	F	34.3	Very low	39.7	Very low	176 Å²	176	101.9 Å²	101.9	77%	0.772	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-1.9	175.5	-75.7	-73	0	0	0	114.7	Q551 S552 W553 P557	Q551-F555 WeakPolarHBondContact O-CD2 3.39Å; S552-F555 PolarHBondContact O-N 3.28Å; W553-F555 PolarHBondContact O-N 3.04Å; F555-P557 WeakPolarHBondContact O-CD 2.89Å
556	H	31	Very low	38.9	Very low	122 Å²	122	107.6 Å²	107.6	57%	0.565	60%	0.597	S	S	*	*	S	Bend	trans	-97.2	110.8	167.8	-83.4	-70.7	0	0	0	109.5	W553 A558	W553-H556 PolarHBondContact O-N 3.26Å; H556-A558 PolarHBondContact O-N 2.65Å; H556-A558 VanDerWaalsContact O-N 3.14Å
557	P	31.8	Very low	37.9	Very low	112 Å²	112	110.8 Å²	110.8	73%	0.727	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-56.8	124.2	161.3	-6.4	19.7	0	0	0	106.1	F555 P559	F555-P557 WeakPolarHBondContact O-CD 2.89Å; P557-P559 WeakPolarHBondContact O-CD 3.28Å; P557-P559 VanDerWaalsContact O-N 3.11Å
558	A	32.2	Very low	37	Very low	78 Å²	78	113.6 Å²	113.6	65%	0.645	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-48.5	123.9	163.4	0	0	0	0	0	106.9	H556 N560	H556-A558 PolarHBondContact O-N 2.65Å; H556-A558 VanDerWaalsContact O-N 3.14Å; A558-N560 PolarHBondContact O-N 2.97Å
559	P	34.2	Very low	36.3	Very low	120 Å²	120	116.3 Å²	116.3	78%	0.779	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-59.7	117.1	165.5	-10.5	24.3	0	0	0	105.4	P557 A561	P557-P559 WeakPolarHBondContact O-CD 3.28Å; P557-P559 VanDerWaalsContact O-N 3.11Å; P559-A561 VanDerWaalsContact C-N 3.27Å; P559-A561 PolarHBondContact O-N 2.88Å
560	N	32.9	Very low	35.6	Very low	167 Å²	167	123.8 Å²	123.8	89%	0.893	69%	0.693	S	S	*	*			trans	-61.8	94.4	164.9	-73.8	-30	0	0	0	107.6	A558	A558-N560 PolarHBondContact O-N 2.97Å
561	A	31.3	Very low	34.5	Very low	171 Å²	171	126.1 Å²	126.1	100%	1.413	72%	0.715	S	S	*	*			trans	-176.8	0	154.8	0	0	0	0	0	110.4	P559	P559-A561 VanDerWaalsContact C-N 3.27Å; P559-A561 PolarHBondContact O-N 2.88Å

Retrieved 561 of 561 residues in 427.9 ms (Link to these results)

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