A0A096NMM2_PAPAN Loading...

Pyruvate kinase

Catalyzes the final rate-limiting step of glycolysis by mediating the transfer of a phosphoryl group from phosphoenolpyruvate (PEP) to ADP, generating ATP. The ratio between the highly active tetrameric form and nearly inactive dimeric form determines whether glucose carbons are channeled to biosynthetic processes or used for glycolytic ATP production. The transition between the 2 forms contributes to the control of glycolysis and is important for tumor cell proliferation and survival.

AlphaFold DB (F7FI45), UniProt , Accession A0A096NMM2, Species PAPAN (Papio anubis, Olive baboon), Gene PKM, Length 531 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	39.3	Very low	56.6	Low	249 Å²	249	132.7 Å²	132.7	100%	1.227	77%	0.766	S	S	*	*				0	86.2	0	-78.8	177.2	173.5	0	0	108.8
2	S	32.8	Very low	59.1	Low	117 Å²	117	132.5 Å²	132.5	82%	0.818	75%	0.75	S	S	*	*			trans	-86.5	110.5	169.1	47.5	0	0	0	0	107.7
3	K	41	Very low	61.2	Low	186 Å²	186	127.3 Å²	127.3	81%	0.809	72%	0.718	S	S	*	*			trans	-59.2	133.4	167.2	-78.4	-179.2	175.7	179.6	0	107.5	H5	K3-H5 PolarHBondContact O-N 2.97Å; K3-H5 VanDerWaalsContact O-N 3.08Å
4	P	43.5	Very low	63.3	Low	126 Å²	126	124.2 Å²	124.2	82%	0.818	69%	0.694	S	S	*	*			trans	-64.4	114.1	163.5	10.8	-0.5	0	0	0	106.2	S6	P4-S6 PolarHBondContact O-N 2.97Å
5	H	43.1	Very low	65.4	Low	182 Å²	182	119.6 Å²	119.6	84%	0.843	67%	0.671	S	S	*	*			trans	-61.5	107.6	165.4	-81.6	-70	0	0	0	106.6	K3	K3-H5 PolarHBondContact O-N 2.97Å; K3-H5 VanDerWaalsContact O-N 3.08Å
6	S	54.1	Low	67.3	Low	55 Å²	55	114.8 Å²	114.8	39%	0.385	64%	0.641	S	S	.	*			trans	-67	138.2	162.8	70	0	0	0	0	107.2	P4 A8 G9	P4-S6 PolarHBondContact O-N 2.97Å; S6-A8 PolarHBondContact O-N 2.78Å; S6-G9 PolarHBondContact O-N 2.83Å
7	E	62.8	Low	69.1	Low	209 Å²	209	108.8 Å²	108.8	98%	0.977	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-17.9	174	-68.4	-174.2	160.3	0	0	112.2	G9	E7-G9 VanDerWaalsContact C-N 3.29Å; E7-G9 PolarHBondContact O-N 2.83Å
8	A	65.8	Low	70.6	Confident	61 Å²	61	104.2 Å²	104.2	50%	0.504	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.3	-15.2	175.3	0	0	0	0	0	114.7	S6 T10 A11	S6-A8 PolarHBondContact O-N 2.78Å; A8-T10 PolarHBondContact O-N 2.82Å; A8-A11 WeakPolarHBondContact O-CB 2.82Å; A8-A11 PolarHBondContact O-N 3.35Å; A8-A11 VanDerWaalsContact O-N 3.13Å
9	G	78.1	Confident	72	Confident	48 Å²	48	103.8 Å²	103.8	50%	0.495	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	55.7	-126	173.3	0	0	0	0	0	114.2	S6 E7 A11 F12	S6-G9 PolarHBondContact O-N 2.83Å; E7-G9 VanDerWaalsContact C-N 3.29Å; E7-G9 PolarHBondContact O-N 2.83Å; G9-A11 VanDerWaalsContact C-N 3.25Å; G9-A11 PolarHBondContact O-N 3.2Å; G9-F12 PolarHBondContact O-N 2.83Å
10	T	79.4	Confident	73.3	Confident	152 Å²	152	98.7 Å²	98.7	93%	0.933	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-72.3	-11.2	-178.6	49.4	0	0	0	0	114.4	A8 F12	A8-T10 PolarHBondContact O-N 2.82Å; T10-F12 PolarHBondContact O-N 3.29Å
11	A	82.2	Confident	74.4	Confident	75 Å²	75	94.1 Å²	94.1	62%	0.62	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-78.5	0.8	176.1	0	0	0	0	0	113.1	A8 G9 I13	A8-A11 WeakPolarHBondContact O-CB 2.82Å; A8-A11 PolarHBondContact O-N 3.35Å; A8-A11 VanDerWaalsContact O-N 3.13Å; G9-A11 VanDerWaalsContact C-N 3.25Å; G9-A11 PolarHBondContact O-N 3.2Å; A11-I13 PolarHBondContact O-N 3.1Å
12	F	86.9	Confident	77.1	Confident	130 Å²	130	87.5 Å²	87.5	57%	0.57	49%	0.488	S	S	*	.			trans	-66.9	113.2	176.9	175	-102.7	0	0	0	111.5	G9 T10 Q14	G9-F12 PolarHBondContact O-N 2.83Å; T10-F12 PolarHBondContact O-N 3.29Å; F12-Q14 HydrophobicContact CE1-CG 4.15Å
13	I	86.6	Confident	80.1	Confident	65 Å²	65	82 Å²	82	33%	0.333	45%	0.449	S	S	.	.			trans	-83.3	124.5	170.6	-59.8	178.8	0	0	0	108.4	A11 T15 D34 D36	A11-I13 PolarHBondContact O-N 3.1Å; I13-T15 PolarHBondContact O-N 3.23Å; I13-D34 WeakPolarHBondContact CG2-OD2 3.25Å; I13-D36 HydrophobicContact CD1-CB 3.5Å; I13-D36 VanDerWaalsContact CD1-CB 3.5Å
14	Q	90.5	Very high	82.8	Confident	84 Å²	84	79.7 Å²	79.7	39%	0.393	45%	0.446	S	S	.	.			trans	-63.8	131.6	173.2	-58.3	-177	-71.9	0	0	108.9	F12 L18 S37	F12-Q14 HydrophobicContact CE1-CG 4.15Å; Q14-L18 HydrophobicContact CB-CB 3.98Å; Q14-S37 WeakPolarHBondContact O-CB 3.05Å; Q14-S37 PolarHBondContact O-OG 2.69Å
15	T	95	Very high	85.4	Confident	55 Å²	55	77.3 Å²	77.3	34%	0.337	43%	0.429	S	S	.	.	S	Bend	trans	-70.7	175.6	178.8	64.1	0	0	0	0	111.5	I13 Q17 L18 S37 P38	I13-T15 PolarHBondContact O-N 3.23Å; T15-Q17 PolarHBondContact O-N 3.1Å; T15-L18 WeakPolarHBondContact O-CG 3.42Å; T15-L18 PolarHBondContact O-N 2.91Å; T15-S37 WeakPolarHBondContact CA-OG 3.17Å; T15-P38 HydrophobicContact CG2-CG 3.84Å
16	Q	95.1	Very high	88	Confident	43 Å²	43	73.7 Å²	73.7	20%	0.201	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	30.5	170.5	72.3	-178.3	-84.5	0	0	114.5	L18 S37 P38 I40	Q16-L18 HydrophobicContact CG-CD1 4.01Å; Q16-L18 HydrophobicContact CG-CD2 3.84Å; Q16-L18 HydrophobicContact CG-CG 3.48Å; Q16-L18 VanDerWaalsContact CG-CG 3.48Å; Q16-L18 PolarHBondContact O-N 3.12Å; Q16-S37 PolarHBondContact N-OG 3.08Å; Q16-P38 PolarHBondContact N-O 2.85Å; Q16-I40 HydrophobicContact CB-CG2 3.95Å
17	Q	98.2	Very high	90.1	Very high	12 Å²	12	77 Å²	77	6%	0.056	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	30.8	-177.1	-50.2	-61.9	-27.7	0	0	113.2	T15 H19 A20 A21 L33 D34 S37 A387	T15-Q17 PolarHBondContact O-N 3.1Å; Q17-H19 VanDerWaalsContact C-N 3.26Å; Q17-H19 PolarHBondContact O-N 3.1Å; Q17-A20 HydrophobicContact CB-CB 4.29Å; Q17-A20 WeakPolarHBondContact O-CB 3.34Å; Q17-A20 PolarHBondContact O-N 3.16Å; Q17-A20 VanDerWaalsContact O-N 3.13Å; Q17-A21 WeakPolarHBondContact O-CB 3.27Å; Q17-A21 PolarHBondContact O-N 2.81Å; Q17-L33 HydrophobicContact CG-CD2 4.39Å; Q17-D34 PolarHBondContact NE2-O 2.96Å; Q17-D34 PolarHBondContact OE1-O 2.86Å; Q17-S37 PolarHBondContact N-OG 3.13Å; Q17-S37 PolarHBondContact NE2-O 3.16Å; Q17-A387 HydrophobicContact CG-CB 3.93Å
18	L	96.6	Very high	91.8	Very high	27 Å²	27	70.7 Å²	70.7	14%	0.141	40%	0.395	C	S	.	.	H	α-helix	trans	-59.8	-35.1	-176.7	-75.9	174.4	0	0	0	113.1	Q14 T15 Q16 A21 M22 R447	Q14-L18 HydrophobicContact CB-CB 3.98Å; T15-L18 WeakPolarHBondContact O-CG 3.42Å; T15-L18 PolarHBondContact O-N 2.91Å; Q16-L18 HydrophobicContact CG-CD1 4.01Å; Q16-L18 HydrophobicContact CG-CD2 3.84Å; Q16-L18 HydrophobicContact CG-CG 3.48Å; Q16-L18 VanDerWaalsContact CG-CG 3.48Å; Q16-L18 PolarHBondContact O-N 3.12Å; L18-A21 PolarHBondContact O-N 2.9Å; L18-M22 WeakPolarHBondContact O-CG 3.43Å; L18-M22 PolarHBondContact O-N 3.21Å; L18-R447 VanDerWaalsContact CD2-NH1 3.26Å
19	H	97.3	Very high	93.4	Very high	97 Å²	97	68 Å²	68	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-44.8	176.8	-178.5	-136.4	0	0	0	111.4	Q17 M22 R32	Q17-H19 VanDerWaalsContact C-N 3.26Å; Q17-H19 PolarHBondContact O-N 3.1Å; H19-M22 PolarHBondContact O-N 3.4Å; H19-R32 WeakPolarHBondContact O-CD 3.48Å; H19-R32 PolarHBondContact O-NH1 3.21Å
20	A	97.8	Very high	94.4	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-66.4	-36.3	173.9	0	0	0	0	0	112.4	Q17 M22 A23 H29 R32 L33	Q17-A20 HydrophobicContact CB-CB 4.29Å; Q17-A20 WeakPolarHBondContact O-CB 3.34Å; Q17-A20 PolarHBondContact O-N 3.16Å; Q17-A20 VanDerWaalsContact O-N 3.13Å; A20-M22 PolarHBondContact O-N 3.23Å; A20-A23 WeakPolarHBondContact O-CB 3.17Å; A20-A23 PolarHBondContact O-N 3.26Å; A20-H29 PolarHBondContact O-ND1 2.97Å; A20-R32 HydrophobicContact CB-CB 3.69Å; A20-L33 HydrophobicContact CB-CD2 4.16Å
21	A	96.3	Very high	95.3	Very high	4 Å²	4	67.6 Å²	67.6	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-22.6	-179.7	0	0	0	0	0	114.1	Q17 L18	Q17-A21 WeakPolarHBondContact O-CB 3.27Å; Q17-A21 PolarHBondContact O-N 2.81Å; L18-A21 PolarHBondContact O-N 2.9Å
22	M	95.1	Very high	96.1	Very high	110 Å²	110	67.3 Å²	67.3	54%	0.542	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.9	178.8	-63.7	-63.7	103.3	0	0	113.4	L18 H19 A20	L18-M22 WeakPolarHBondContact O-CG 3.43Å; L18-M22 PolarHBondContact O-N 3.21Å; H19-M22 PolarHBondContact O-N 3.4Å; A20-M22 PolarHBondContact O-N 3.23Å
23	A	97.1	Very high	96.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.332	C	S	.	.			trans	-64.8	147.1	175.4	0	0	0	0	0	111.9	A20 E28 H29 F390	A20-A23 WeakPolarHBondContact O-CB 3.17Å; A20-A23 PolarHBondContact O-N 3.26Å; A23-E28 HydrophobicContact CB-CB 4.02Å; A23-E28 HydrophobicContact CB-CG 3.82Å; A23-H29 HydrophobicContact CB-CB 3.89Å; A23-F390 WeakPolarHBondContact O-CE2 3.46Å; A23-F390 WeakPolarHBondContact O-CZ 3.42Å
24	D	97.1	Very high	97.2	Very high	139 Å²	139	64.4 Å²	64.4	74%	0.743	33%	0.33	S	S	*	.	S	Bend	trans	-84.1	-19	179	-64.6	-51.2	0	0	0	113.2
25	T	97.9	Very high	97.5	Very high	75 Å²	75	68.3 Å²	68.3	46%	0.46	35%	0.352	S	S	.	.	S	Bend	trans	-128.3	156.6	178	74.1	0	0	0	0	111.2	L27 E28 H29	T25-L27 VanDerWaalsContact C-N 3.28Å; T25-L27 PolarHBondContact O-N 2.86Å; T25-E28 PolarHBondContact O-N 3.44Å; T25-E28 WeakPolarHBondContact OG1-CB 3.49Å; T25-E28 PolarHBondContact OG1-N 3.03Å; T25-E28 VanDerWaalsContact OG1-N 3.13Å; T25-H29 WeakPolarHBondContact O-CB 3.36Å; T25-H29 PolarHBondContact O-N 2.91Å
26	F	98.3	Very high	97.7	Very high	107 Å²	107	71.1 Å²	71.1	47%	0.469	37%	0.365	S	S	.	.	H	α-helix	trans	-64.5	-33.8	174.9	-177.6	-110.7	0	0	0	112.4	H29 M30 F390	F26-H29 WeakPolarHBondContact O-CB 3.23Å; F26-H29 PolarHBondContact O-N 3.35Å; F26-M30 HydrophobicContact CD1-CG 4.44Å; F26-M30 HydrophobicContact CD1-SD 3.91Å; F26-M30 HydrophobicContact CE1-CG 4.05Å; F26-M30 HydrophobicContact CE1-SD 3.37Å; F26-M30 WeakPolarHBondContact CE1-SD 3.49Å; F26-M30 HydrophobicContact CE2-CG 4.39Å; F26-M30 HydrophobicContact CZ-CG 4.02Å; F26-M30 HydrophobicContact CZ-SD 3.82Å; F26-M30 WeakPolarHBondContact O-CG 3.37Å; F26-M30 PolarHBondContact O-N 2.81Å; F26-F390 HydrophobicContact CB-CD1 4.29Å; F26-F390 HydrophobicContact CB-CE1 4.41Å; F26-F390 HydrophobicContact CD2-CB 4.21Å; F26-F390 AromaticContact CD2-CD1 3.94Å; F26-F390 HydrophobicContact CD2-CD1 3.94Å; F26-F390 HydrophobicContact CD2-CG 4.42Å
27	L	98.6	Very high	97.8	Very high	125 Å²	125	69.2 Å²	69.2	65%	0.654	36%	0.356	S	S	*	.	H	α-helix	trans	-65	-48.6	177.1	179.5	60.6	0	0	0	111.2	T25 H29 M30 C31	T25-L27 VanDerWaalsContact C-N 3.28Å; T25-L27 PolarHBondContact O-N 2.86Å; L27-H29 VanDerWaalsContact C-N 3.29Å; L27-H29 PolarHBondContact O-N 3.02Å; L27-M30 WeakPolarHBondContact O-CB 3.47Å; L27-M30 PolarHBondContact O-N 2.89Å; L27-M30 VanDerWaalsContact O-N 3.13Å; L27-C31 PolarHBondContact O-N 3.14Å; L27-C31 PolarHBondContact O-SG 3.31Å; L27-C31 VanDerWaalsContact O-SG 3.34Å
28	E	98.6	Very high	97.8	Very high	75 Å²	75	71.8 Å²	71.8	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-36	176.9	-179.9	63.7	-172.5	0	0	111.7	A23 T25 M30 C31 R32	A23-E28 HydrophobicContact CB-CB 4.02Å; A23-E28 HydrophobicContact CB-CG 3.82Å; T25-E28 PolarHBondContact O-N 3.44Å; T25-E28 WeakPolarHBondContact OG1-CB 3.49Å; T25-E28 PolarHBondContact OG1-N 3.03Å; T25-E28 VanDerWaalsContact OG1-N 3.13Å; E28-M30 VanDerWaalsContact C-N 3.33Å; E28-M30 PolarHBondContact O-N 3.23Å; E28-C31 PolarHBondContact O-N 2.95Å; E28-R32 WeakPolarHBondContact O-CG 3.5Å; E28-R32 PolarHBondContact O-N 2.86Å; E28-R32 VanDerWaalsContact O-N 3.09Å; E28-R32 IonicContact OE1-CZ 3.12Å; E28-R32 IonicContact OE1-NE 2.71Å; E28-R32 PolarHBondContact OE1-NE 2.92Å; E28-R32 IonicContact OE1-NH2 3.64Å; E28-R32 PolarHBondContact OE1-NH2 3.27Å
29	H	98.7	Very high	97.9	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.019	37%	0.374	C	S	.	.	H	α-helix	trans	-56	-47.8	171.4	168.8	73.2	0	0	0	111.3	A20 A23 T25 F26 L27 R32 L33 A388 F390	A20-H29 PolarHBondContact O-ND1 2.97Å; A23-H29 HydrophobicContact CB-CB 3.89Å; T25-H29 WeakPolarHBondContact O-CB 3.36Å; T25-H29 PolarHBondContact O-N 2.91Å; F26-H29 WeakPolarHBondContact O-CB 3.23Å; F26-H29 PolarHBondContact O-N 3.35Å; L27-H29 VanDerWaalsContact C-N 3.29Å; L27-H29 PolarHBondContact O-N 3.02Å; H29-R32 PolarHBondContact O-N 3.1Å; H29-L33 PolarHBondContact O-N 2.98Å; H29-A388 PolarHBondContact CE1-O 3.45Å; H29-A388 PolarHBondContact NE2-O 3.02Å; H29-F390 HydrophobicContact CB-CD2 4.12Å; H29-F390 HydrophobicContact CB-CE2 4.31Å; H29-F390 HydrophobicContact CB-CG 4.3Å; H29-F390 AromaticContact CG-CD2 3.81Å; H29-F390 AromaticContact CG-CG 3.92Å; H29-F390 AromaticContact ND1-CD2 3.71Å
30	M	98.6	Very high	97.9	Very high	101 Å²	101	69.5 Å²	69.5	50%	0.498	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-42.4	175.9	-67.8	176.2	70.6	0	0	112.2	F26 L27 E28 R32 L33	F26-M30 HydrophobicContact CD1-CG 4.44Å; F26-M30 HydrophobicContact CD1-SD 3.91Å; F26-M30 HydrophobicContact CE1-CG 4.05Å; F26-M30 HydrophobicContact CE1-SD 3.37Å; F26-M30 WeakPolarHBondContact CE1-SD 3.49Å; F26-M30 HydrophobicContact CE2-CG 4.39Å; F26-M30 HydrophobicContact CZ-CG 4.02Å; F26-M30 HydrophobicContact CZ-SD 3.82Å; F26-M30 WeakPolarHBondContact O-CG 3.37Å; F26-M30 PolarHBondContact O-N 2.81Å; L27-M30 WeakPolarHBondContact O-CB 3.47Å; L27-M30 PolarHBondContact O-N 2.89Å; L27-M30 VanDerWaalsContact O-N 3.13Å; E28-M30 VanDerWaalsContact C-N 3.33Å; E28-M30 PolarHBondContact O-N 3.23Å; M30-R32 PolarHBondContact O-N 2.98Å; M30-L33 PolarHBondContact O-N 2.95Å
31	C	98.6	Very high	97.9	Very high	92 Å²	92	73.1 Å²	73.1	62%	0.622	39%	0.388	S	S	*	.	H	α-helix	trans	-61.6	-25.1	178	-68	0	0	0	0	113.5	L27 E28	L27-C31 PolarHBondContact O-N 3.14Å; L27-C31 PolarHBondContact O-SG 3.31Å; L27-C31 VanDerWaalsContact O-SG 3.34Å; E28-C31 PolarHBondContact O-N 2.95Å
32	R	98.6	Very high	98	Very high	69 Å²	69	73.1 Å²	73.1	26%	0.26	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-1.7	-177.5	-72.3	-177.9	-175.1	-178.7	5.7	114.8	H19 A20 E28 H29 M30 D34	H19-R32 WeakPolarHBondContact O-CD 3.48Å; H19-R32 PolarHBondContact O-NH1 3.21Å; A20-R32 HydrophobicContact CB-CB 3.69Å; E28-R32 WeakPolarHBondContact O-CG 3.5Å; E28-R32 PolarHBondContact O-N 2.86Å; E28-R32 VanDerWaalsContact O-N 3.09Å; E28-R32 IonicContact OE1-CZ 3.12Å; E28-R32 IonicContact OE1-NE 2.71Å; E28-R32 PolarHBondContact OE1-NE 2.92Å; E28-R32 IonicContact OE1-NH2 3.64Å; E28-R32 PolarHBondContact OE1-NH2 3.27Å; H29-R32 PolarHBondContact O-N 3.1Å; M30-R32 PolarHBondContact O-N 2.98Å; R32-D34 PolarHBondContact O-N 2.83Å
33	L	98.5	Very high	98.1	Very high	79 Å²	79	69.5 Å²	69.5	41%	0.414	37%	0.369	S	S	.	.			trans	-60.8	128	175.1	-68.6	176.1	0	0	0	109.4	Q17 A20 H29 M30 A388	Q17-L33 HydrophobicContact CG-CD2 4.39Å; A20-L33 HydrophobicContact CB-CD2 4.16Å; H29-L33 PolarHBondContact O-N 2.98Å; M30-L33 PolarHBondContact O-N 2.95Å; L33-A388 HydrophobicContact CD2-CB 3.81Å
34	D	98.4	Very high	98.2	Very high	54 Å²	54	70 Å²	70	29%	0.289	37%	0.372	S	S	.	.			trans	-126.9	118.3	-169.4	-174	-9.9	0	0	0	110.4	I13 Q17 R32 D36 S37	I13-D34 WeakPolarHBondContact CG2-OD2 3.25Å; Q17-D34 PolarHBondContact NE2-O 2.96Å; Q17-D34 PolarHBondContact OE1-O 2.86Å; R32-D34 PolarHBondContact O-N 2.83Å; D34-D36 PolarHBondContact O-N 3.29Å; D34-D36 PolarHBondContact OD1-N 3.49Å; D34-S37 WeakPolarHBondContact O-CB 3.2Å; D34-S37 PolarHBondContact O-N 2.97Å; D34-S37 VanDerWaalsContact O-N 3.14Å
35	I	98.3	Very high	98.3	Very high	167 Å²	167	63.4 Å²	63.4	86%	0.856	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.3	-178.2	62.7	171.9	0	0	0	113
36	D	97.7	Very high	98.3	Very high	113 Å²	113	60 Å²	60	60%	0.604	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-1	178.4	-64.4	-42.1	0	0	0	112.1	I13 D34 P38	I13-D36 HydrophobicContact CD1-CB 3.5Å; I13-D36 VanDerWaalsContact CD1-CB 3.5Å; D34-D36 PolarHBondContact O-N 3.29Å; D34-D36 PolarHBondContact OD1-N 3.49Å; D36-P38 WeakPolarHBondContact O-CD 3.5Å
37	S	97.9	Very high	98.4	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.021	29%	0.293	C	S	.	.	S	Bend	trans	-88.3	102.6	173.8	-178.6	0	0	0	0	110.8	Q14 T15 Q16 Q17 D34	Q14-S37 WeakPolarHBondContact O-CB 3.05Å; Q14-S37 PolarHBondContact O-OG 2.69Å; T15-S37 WeakPolarHBondContact CA-OG 3.17Å; Q16-S37 PolarHBondContact N-OG 3.08Å; Q17-S37 PolarHBondContact N-OG 3.13Å; Q17-S37 PolarHBondContact NE2-O 3.16Å; D34-S37 WeakPolarHBondContact O-CB 3.2Å; D34-S37 PolarHBondContact O-N 2.97Å; D34-S37 VanDerWaalsContact O-N 3.14Å
38	P	97.7	Very high	98.4	Very high	67 Å²	67	48.9 Å²	48.9	44%	0.435	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-73.2	145.6	-174	30.1	-36.7	0	0	0	112	T15 Q16 D36	T15-P38 HydrophobicContact CG2-CG 3.84Å; Q16-P38 PolarHBondContact N-O 2.85Å; D36-P38 WeakPolarHBondContact O-CD 3.5Å
39	P	98.3	Very high	98.4	Very high	21 Å²	21	45.3 Å²	45.3	14%	0.136	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-75.5	164	176.8	32.6	-36.4	0	0	0	111.7	R383 E384 A387	P39-R383 HydrophobicContact CB-CB 4.27Å; P39-R383 HydrophobicContact CG-CB 4.19Å; P39-E384 WeakPolarHBondContact CD-OE1 3.35Å; P39-E384 WeakPolarHBondContact CD-OE2 3.31Å; P39-E384 WeakPolarHBondContact CG-OE1 3.28Å; P39-A387 HydrophobicContact CB-CB 4.12Å
40	I	97.7	Very high	98.4	Very high	55 Å²	55	45.4 Å²	45.4	28%	0.282	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-64.7	162.8	171.4	64	172	0	0	0	111.5	Q16 A42 R383	Q16-I40 HydrophobicContact CB-CG2 3.95Å; I40-A42 HydrophobicContact CD1-CB 4.12Å; I40-A42 HydrophobicContact CG1-CB 4.5Å; I40-A42 PolarHBondContact O-N 2.76Å; I40-R383 PolarHBondContact O-NE 2.7Å; I40-R383 PolarHBondContact O-NH2 3.29Å
41	T	97.9	Very high	98.4	Very high	75 Å²	75	41 Å²	41	46%	0.46	22%	0.224	S	C	.	.	S	Bend	trans	-62.5	-39.3	179.7	-47.7	0	0	0	0	113.2	R383 R500 G501	T41-R383 PolarHBondContact O-NE 2.72Å; T41-R500 WeakPolarHBondContact CG2-O 3.49Å; T41-G501 WeakPolarHBondContact CB-O 3.35Å; T41-G501 PolarHBondContact OG1-O 2.81Å
42	A	97.5	Very high	98.4	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	20%	0.196	C	C	.	.			trans	-67.3	148.1	-177.6	0	0	0	0	0	111.5	I40 P449 F502	I40-A42 HydrophobicContact CD1-CB 4.12Å; I40-A42 HydrophobicContact CG1-CB 4.5Å; I40-A42 PolarHBondContact O-N 2.76Å; A42-P449 HydrophobicContact CB-CB 3.91Å; A42-P449 HydrophobicContact CB-CG 3.87Å; A42-F502 HydrophobicContact CB-CD1 3.83Å; A42-F502 HydrophobicContact CB-CE1 3.77Å; A42-F502 HydrophobicContact CB-CG 4.43Å; A42-F502 HydrophobicContact CB-CZ 4.33Å
43	R	98.8	Very high	98.4	Very high	34 Å²	34	38.7 Å²	38.7	13%	0.128	22%	0.218	C	C	.	.			trans	-123.7	120.1	170.3	-175.7	-122.3	52.3	176.5	-1.2	109.2	T45 I47 N70 A382 R383 E386	R43-T45 VanDerWaalsContact CD-O 3.29Å; R43-T45 WeakPolarHBondContact CD-O 3.28Å; R43-T45 VanDerWaalsContact CZ-C 3.49Å; R43-T45 PolarHBondContact NE-O 2.79Å; R43-T45 PolarHBondContact NH1-O 2.9Å; R43-T45 PolarHBondContact NH2-O 2.87Å; R43-I47 VanDerWaalsContact NH1-N 3.19Å; R43-N70 VanDerWaalsContact CZ-OD1 3.23Å; R43-N70 PolarHBondContact NH1-OD1 2.92Å; R43-N70 PolarHBondContact NH2-OD1 2.86Å; R43-A382 HydrophobicContact CG-CB 4.04Å; R43-R383 HydrophobicContact CB-CG 3.47Å; R43-R383 VanDerWaalsContact CB-CG 3.47Å; R43-R383 HydrophobicContact CG-CG 3.67Å; R43-E386 WeakPolarHBondContact CA-OE2 3.38Å
44	N	98.8	Very high	98.4	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	21%	0.211	C	C	.	.			trans	-86.4	-34.7	-170.8	-71	-16.9	0	0	0	113.4	E386 R447 R467 G468	N44-E386 HydrophobicContact CB-CG 4.29Å; N44-E386 VanDerWaalsContact N-CD 3.25Å; N44-E386 PolarHBondContact N-OE1 2.96Å; N44-E386 VanDerWaalsContact N-OE1 3.11Å; N44-E386 PolarHBondContact N-OE2 2.86Å; N44-R447 PolarHBondContact ND2-O 3.36Å; N44-R467 HydrophobicContact CB-CG 3.93Å; N44-R467 WeakPolarHBondContact O-CA 3.48Å; N44-G468 PolarHBondContact O-N 3.31Å
45	T	98.9	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-82.6	116.9	-172.9	-52	0	0	0	0	111.4	R43 V352 D357 I359 E386	R43-T45 VanDerWaalsContact CD-O 3.29Å; R43-T45 WeakPolarHBondContact CD-O 3.28Å; R43-T45 VanDerWaalsContact CZ-C 3.49Å; R43-T45 PolarHBondContact NE-O 2.79Å; R43-T45 PolarHBondContact NH1-O 2.9Å; R43-T45 PolarHBondContact NH2-O 2.87Å; T45-V352 HydrophobicContact CG2-CG2 4.05Å; T45-D357 CarbonylContact C-O 3.47Å; T45-D357 WeakPolarHBondContact CA-O 3.37Å; T45-D357 WeakPolarHBondContact CG2-O 3.38Å; T45-I359 HydrophobicContact CG2-CG1 4.22Å; T45-I359 HydrophobicContact CG2-CG2 4.23Å; T45-E386 VanDerWaalsContact CB-OE1 3.23Å; T45-E386 WeakPolarHBondContact CB-OE1 3.41Å; T45-E386 PolarHBondContact N-OE1 2.87Å; T45-E386 PolarHBondContact OG1-OE1 3.36Å
46	G	98.9	Very high	98.4	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	146	179.9	0	0	0	0	0	114.3	D357 C358 I359	G46-D357 PolarHBondContact N-O 3.46Å; G46-C358 CarbonylContact O-C 3.58Å; G46-C358 WeakPolarHBondContact O-CA 3.45Å; G46-I359 PolarHBondContact O-N 3.21Å
47	I	98.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.1	175.4	-72.9	163.5	0	0	0	109	R43 N70 V71 I359 V375 Q378 H379	R43-I47 VanDerWaalsContact NH1-N 3.19Å; I47-N70 PolarHBondContact N-OD1 3.47Å; I47-N70 WeakPolarHBondContact O-CB 2.99Å; I47-N70 PolarHBondContact O-N 3.35Å; I47-V71 PolarHBondContact O-N 3.36Å; I47-I359 HydrophobicContact CG1-CD1 4.27Å; I47-I359 HydrophobicContact CG1-CG1 4.07Å; I47-V375 HydrophobicContact CG2-CG1 4.41Å; I47-Q378 HydrophobicContact CD1-CB 3.9Å; I47-Q378 HydrophobicContact CG1-CB 4.14Å; I47-H379 HydrophobicContact CD1-CB 3.97Å
48	I	98.9	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.3	179.4	-53.8	177.2	0	0	0	108	V71 R73 F241 I325 C358 I359 M360 L361	I48-V71 WeakPolarHBondContact CA-O 3.44Å; I48-V71 HydrophobicContact CB-CB 4.29Å; I48-V71 HydrophobicContact CG1-CB 3.94Å; I48-V71 HydrophobicContact CG1-CG2 4.13Å; I48-V71 HydrophobicContact CG2-CB 4.09Å; I48-V71 HydrophobicContact CG2-CG1 4.14Å; I48-R73 HydrophobicContact CG2-CB 3.97Å; I48-F241 HydrophobicContact CD1-CZ 4.11Å; I48-F241 HydrophobicContact CG2-CE2 4.09Å; I48-F241 HydrophobicContact CG2-CZ 4.29Å; I48-I325 HydrophobicContact CD1-CD1 3.53Å; I48-I325 HydrophobicContact CD1-CG1 3.93Å; I48-I325 HydrophobicContact CD1-CG2 3.82Å; I48-C358 HydrophobicContact CD1-CB 3.71Å; I48-C358 HydrophobicContact CG1-CB 4.05Å; I48-I359 PolarHBondContact N-O 3.15Å; I48-M360 HydrophobicContact CB-CB 4.08Å; I48-M360 HydrophobicContact CB-CG 3.81Å; I48-M360 HydrophobicContact CB-SD 4.37Å; I48-M360 HydrophobicContact CG2-CG 3.77Å; I48-M360 HydrophobicContact CG2-SD 3.84Å; I48-M360 CarbonylContact O-C 3.53Å; I48-M360 VanDerWaalsContact O-CA 3.3Å; I48-M360 WeakPolarHBondContact O-CA 3.49Å; I48-L361 PolarHBondContact O-N 2.86Å
49	C	98.9	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.4	-178.5	-58.7	0	0	0	0	110.4	I51 M64 M69 V71 R73 T365 V375	C49-I51 HydrophobicContact CB-CD1 4.32Å; C49-I51 PolarHBondContact O-N 2.8Å; C49-M64 HydrophobicContact CB-CE 3.53Å; C49-M69 HydrophobicContact CB-CG 3.92Å; C49-M69 HydrophobicContact CB-SD 3.68Å; C49-V71 PolarHBondContact N-O 3Å; C49-R73 PolarHBondContact O-N 2.84Å; C49-T365 HydrophobicContact CB-CG2 4.16Å; C49-V375 VanDerWaalsContact SG-CG2 3.58Å
50	T	98.9	Very high	98.6	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127	169.7	-53.9	0	0	0	0	109.6	R73 N75 L361 S362 T365 A366	T50-R73 WeakPolarHBondContact CA-O 3.26Å; T50-R73 VanDerWaalsContact CG2-NH1 3.28Å; T50-R73 WeakPolarHBondContact OG1-CD 3.48Å; T50-R73 PolarHBondContact OG1-NH1 3.24Å; T50-N75 HydrophobicContact CG2-CB 4.28Å; T50-L361 WeakPolarHBondContact CB-O 3.32Å; T50-L361 PolarHBondContact N-O 2.89Å; T50-L361 PolarHBondContact OG1-O 3.04Å; T50-S362 WeakPolarHBondContact OG1-CA 3.43Å; T50-T365 PolarHBondContact N-OG1 2.95Å; T50-T365 CarbonylContact O-C 3.58Å; T50-T365 WeakPolarHBondContact O-CB 3.41Å; T50-T365 PolarHBondContact O-OG1 2.82Å; T50-A366 HydrophobicContact CG2-CB 3.91Å; T50-A366 WeakPolarHBondContact O-CA 3.26Å; T50-A366 PolarHBondContact O-N 2.95Å
51	I	98.9	Very high	98.6	Very high	9 Å²	9	26.9 Å²	26.9	5%	0.046	16%	0.155	C	C	.	.			trans	-94.6	135.3	-179.7	-49.4	-53.1	0	0	0	109.7	C49 R56 L61 M64 M69 A72 R73 L74 T87	C49-I51 HydrophobicContact CB-CD1 4.32Å; C49-I51 PolarHBondContact O-N 2.8Å; I51-R56 HydrophobicContact CG2-CB 3.97Å; I51-L61 HydrophobicContact CD1-CD2 3.85Å; I51-L61 HydrophobicContact CG1-CD2 4.39Å; I51-L61 HydrophobicContact CG2-CD2 4.36Å; I51-M64 HydrophobicContact CD1-CE 4.16Å; I51-M64 HydrophobicContact CD1-SD 4.41Å; I51-M69 HydrophobicContact CD1-SD 3.91Å; I51-A72 HydrophobicContact CD1-CB 4.25Å; I51-A72 HydrophobicContact CG1-CB 3.76Å; I51-R73 PolarHBondContact N-O 2.89Å; I51-L74 HydrophobicContact CB-CD2 4.46Å; I51-T87 HydrophobicContact CB-CG2 3.99Å; I51-T87 HydrophobicContact CG2-CG2 3.48Å; I51-T87 VanDerWaalsContact CG2-CG2 3.48Å
52	G	98.4	Very high	98.7	Very high	4 Å²	4	26.5 Å²	26.5	4%	0.041	15%	0.147	C	C	.	.			trans	-157.4	-163.5	-179.4	0	0	0	0	0	111.7	A54 S55 R56 A366	G52-A54 PolarHBondContact O-N 2.9Å; G52-A54 VanDerWaalsContact O-N 3.1Å; G52-S55 PolarHBondContact N-OG 3.22Å; G52-S55 VanDerWaalsContact N-OG 3.12Å; G52-S55 PolarHBondContact O-N 3.17Å; G52-S55 PolarHBondContact O-OG 3.15Å; G52-R56 WeakPolarHBondContact O-CB 2.9Å; G52-R56 PolarHBondContact O-N 3.32Å; G52-A366 CarbonylContact C-O 3.57Å; G52-A366 VanDerWaalsContact CA-O 3.3Å; G52-A366 WeakPolarHBondContact CA-O 3.18Å
53	P	98.2	Very high	98.7	Very high	109 Å²	109	29.3 Å²	29.3	71%	0.708	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.7	-177.4	-29	36.2	0	0	0	114.9	S55 Y83 A366	P53-S55 VanDerWaalsContact C-N 3.31Å; P53-S55 PolarHBondContact O-N 3.12Å; P53-Y83 WeakPolarHBondContact CD-OH 3.36Å; P53-A366 VanDerWaalsContact CD-O 3.29Å; P53-A366 WeakPolarHBondContact CD-O 3.15Å; P53-A366 VanDerWaalsContact N-O 3.13Å
54	A	98	Very high	98.7	Very high	33 Å²	33	27.7 Å²	27.7	27%	0.273	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.9	-179.1	0	0	0	0	0	114.1	G52 A366 G368	G52-A54 PolarHBondContact O-N 2.9Å; G52-A54 VanDerWaalsContact O-N 3.1Å; A54-A366 PolarHBondContact N-O 2.67Å; A54-G368 WeakPolarHBondContact CB-O 3.33Å
55	S	98.5	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-4.9	-167.2	46.9	0	0	0	0	115.2	G52 P53 S57 L61 M64 T365	G52-S55 PolarHBondContact N-OG 3.22Å; G52-S55 VanDerWaalsContact N-OG 3.12Å; G52-S55 PolarHBondContact O-N 3.17Å; G52-S55 PolarHBondContact O-OG 3.15Å; P53-S55 VanDerWaalsContact C-N 3.31Å; P53-S55 PolarHBondContact O-N 3.12Å; S55-S57 VanDerWaalsContact C-N 3.32Å; S55-S57 PolarHBondContact O-N 3.24Å; S55-L61 WeakPolarHBondContact O-CD2 3.25Å; S55-L61 VanDerWaalsContact O-CG 3.25Å; S55-L61 WeakPolarHBondContact O-CG 3.29Å; S55-M64 VanDerWaalsContact CB-SD 3.51Å; S55-T365 WeakPolarHBondContact CB-O 3.29Å; S55-T365 PolarHBondContact OG-O 3.15Å
56	R	98.3	Very high	98.7	Very high	47 Å²	47	32.2 Å²	32.2	18%	0.177	17%	0.172	C	C	.	.			trans	-76.4	-9.1	-172.8	73	-174	-59.3	-106	7.2	115.9	I51 G52 Y83 E86 T87 N90	I51-R56 HydrophobicContact CG2-CB 3.97Å; G52-R56 WeakPolarHBondContact O-CB 2.9Å; G52-R56 PolarHBondContact O-N 3.32Å; R56-Y83 PolarHBondContact NH2-O 3.18Å; R56-E86 IonicContact CZ-OE1 3.98Å; R56-E86 IonicContact CZ-OE2 2.71Å; R56-E86 IonicContact NH1-OE1 3.01Å; R56-E86 PolarHBondContact NH1-OE1 3.28Å; R56-E86 IonicContact NH1-OE2 3.89Å; R56-E86 PolarHBondContact NH1-OE2 3.19Å; R56-E86 IonicContact NH2-OE1 2.87Å; R56-E86 IonicContact NH2-OE2 3.03Å; R56-E86 PolarHBondContact NH2-OE2 3.17Å; R56-T87 HydrophobicContact CB-CG2 4.38Å; R56-N90 WeakPolarHBondContact O-CB 3.44Å; R56-N90 PolarHBondContact O-ND2 3.15Å
57	S	98.8	Very high	98.7	Very high	44 Å²	44	32.8 Å²	32.8	31%	0.308	18%	0.175	S	C	.	.	S	Bend	trans	-72.4	148	176.8	64.2	0	0	0	0	111	S55 E59 T60 L61	S55-S57 VanDerWaalsContact C-N 3.32Å; S55-S57 PolarHBondContact O-N 3.24Å; S57-E59 PolarHBondContact O-N 2.98Å; S57-T60 PolarHBondContact O-N 3.49Å; S57-T60 WeakPolarHBondContact OG-CB 3.38Å; S57-T60 PolarHBondContact OG-N 3.07Å; S57-T60 PolarHBondContact OG-OG1 3.19Å; S57-L61 WeakPolarHBondContact O-CB 3.32Å; S57-L61 WeakPolarHBondContact O-CD1 3.41Å; S57-L61 VanDerWaalsContact O-CG 3.26Å; S57-L61 WeakPolarHBondContact O-CG 3.46Å; S57-L61 PolarHBondContact O-N 2.97Å
58	V	98.9	Very high	98.7	Very high	23 Å²	23	33.4 Å²	33.4	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-38.8	-178.5	172	0	0	0	0	111	L61 K62 N90 T93 A94	V58-L61 PolarHBondContact O-N 3.34Å; V58-K62 WeakPolarHBondContact O-CG 3.44Å; V58-K62 PolarHBondContact O-N 3.29Å; V58-N90 HydrophobicContact CG2-CB 3.84Å; V58-T93 HydrophobicContact CG1-CG2 4.09Å; V58-T93 HydrophobicContact CG2-CG2 4.22Å; V58-A94 HydrophobicContact CG1-CB 4.24Å
59	E	98.8	Very high	98.7	Very high	128 Å²	128	33.6 Å²	33.6	60%	0.598	18%	0.183	S	C	*	.	H	α-helix	trans	-63.9	-48.9	-179.8	-65.6	67.2	-149.7	0	0	111.2	S57 L61 K62 E63	S57-E59 PolarHBondContact O-N 2.98Å; E59-L61 VanDerWaalsContact C-N 3.35Å; E59-L61 PolarHBondContact O-N 2.96Å; E59-K62 PolarHBondContact O-N 3.38Å; E59-E63 PolarHBondContact O-N 3.17Å
60	T	98.8	Very high	98.7	Very high	35 Å²	35	34.4 Å²	34.4	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-40.6	177.6	-59.3	0	0	0	0	110.7	S57 K62 E63 M64 L372	S57-T60 PolarHBondContact O-N 3.49Å; S57-T60 WeakPolarHBondContact OG-CB 3.38Å; S57-T60 PolarHBondContact OG-N 3.07Å; S57-T60 PolarHBondContact OG-OG1 3.19Å; T60-K62 VanDerWaalsContact C-N 3.33Å; T60-K62 PolarHBondContact O-N 2.73Å; T60-E63 CarbonylContact O-C 3.57Å; T60-E63 PolarHBondContact O-N 3.14Å; T60-E63 VanDerWaalsContact O-N 3.11Å; T60-M64 HydrophobicContact CG2-CG 4.29Å; T60-M64 HydrophobicContact CG2-SD 4.28Å; T60-M64 WeakPolarHBondContact O-CG 3.29Å; T60-M64 PolarHBondContact O-N 2.88Å; T60-L372 HydrophobicContact CG2-CD2 4.19Å
61	L	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-40.4	176.4	-72.3	164.6	0	0	0	112.2	I51 S55 S57 V58 E59 E63 M64 I65 M69 N90 V91 A94	I51-L61 HydrophobicContact CD1-CD2 3.85Å; I51-L61 HydrophobicContact CG1-CD2 4.39Å; I51-L61 HydrophobicContact CG2-CD2 4.36Å; S55-L61 WeakPolarHBondContact O-CD2 3.25Å; S55-L61 VanDerWaalsContact O-CG 3.25Å; S55-L61 WeakPolarHBondContact O-CG 3.29Å; S57-L61 WeakPolarHBondContact O-CB 3.32Å; S57-L61 WeakPolarHBondContact O-CD1 3.41Å; S57-L61 VanDerWaalsContact O-CG 3.26Å; S57-L61 WeakPolarHBondContact O-CG 3.46Å; S57-L61 PolarHBondContact O-N 2.97Å; V58-L61 PolarHBondContact O-N 3.34Å; E59-L61 VanDerWaalsContact C-N 3.35Å; E59-L61 PolarHBondContact O-N 2.96Å; L61-E63 VanDerWaalsContact C-N 3.31Å; L61-E63 PolarHBondContact O-N 3.4Å; L61-M64 HydrophobicContact CD2-SD 4.43Å; L61-M64 PolarHBondContact O-N 3.48Å; L61-I65 VanDerWaalsContact O-CG1 3.22Å; L61-I65 WeakPolarHBondContact O-CG1 3.36Å; L61-I65 PolarHBondContact O-N 3.06Å; L61-M69 HydrophobicContact CD2-CE 4.09Å; L61-N90 HydrophobicContact CD1-CB 3.79Å; L61-V91 HydrophobicContact CD1-CG2 3.91Å; L61-V91 HydrophobicContact CD2-CG2 3.96Å; L61-A94 HydrophobicContact CB-CB 3.53Å
62	K	98.9	Very high	98.7	Very high	68 Å²	68	33.7 Å²	33.7	30%	0.296	18%	0.183	S	C	.	.	H	α-helix	trans	-58.5	-44.5	173.7	-74	175.3	-174.2	-177.3	0	111.4	V58 E59 T60 I65 K66 A94 S97 F98	V58-K62 WeakPolarHBondContact O-CG 3.44Å; V58-K62 PolarHBondContact O-N 3.29Å; E59-K62 PolarHBondContact O-N 3.38Å; T60-K62 VanDerWaalsContact C-N 3.33Å; T60-K62 PolarHBondContact O-N 2.73Å; K62-I65 PolarHBondContact O-N 3.02Å; K62-K66 WeakPolarHBondContact O-CG 3.28Å; K62-K66 PolarHBondContact O-N 3.25Å; K62-A94 HydrophobicContact CG-CB 3.88Å; K62-S97 VanDerWaalsContact CE-OG 3.22Å; K62-S97 WeakPolarHBondContact CE-OG 3.46Å; K62-F98 HydrophobicContact CB-CE2 4.23Å; K62-F98 HydrophobicContact CB-CZ 4.05Å; K62-F98 HydrophobicContact CG-CE2 4.11Å; K62-F98 HydrophobicContact CG-CZ 4.21Å
63	E	98.9	Very high	98.8	Very high	63 Å²	63	34.3 Å²	34.3	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-70.5	-32.3	177.9	-65.9	-52.7	129.3	0	0	113.1	E59 T60 L61 K66 S67 L372	E59-E63 PolarHBondContact O-N 3.17Å; T60-E63 CarbonylContact O-C 3.57Å; T60-E63 PolarHBondContact O-N 3.14Å; T60-E63 VanDerWaalsContact O-N 3.11Å; L61-E63 VanDerWaalsContact C-N 3.31Å; L61-E63 PolarHBondContact O-N 3.4Å; E63-K66 PolarHBondContact O-N 3.34Å; E63-K66 WeakPolarHBondContact OE1-CD 3.36Å; E63-K66 IonicContact OE1-NZ 2.71Å; E63-K66 PolarHBondContact OE1-NZ 3.45Å; E63-K66 IonicContact OE2-NZ 3.66Å; E63-K66 PolarHBondContact OE2-NZ 2.85Å; E63-S67 VanDerWaalsContact O-CB 3.27Å; E63-S67 WeakPolarHBondContact O-CB 3.3Å; E63-S67 PolarHBondContact O-N 3.43Å; E63-S67 PolarHBondContact O-OG 3.36Å; E63-L372 HydrophobicContact CB-CD1 3.8Å; E63-L372 HydrophobicContact CB-CD2 3.71Å; E63-L372 HydrophobicContact CB-CG 4.44Å; E63-L372 HydrophobicContact CG-CD1 4.47Å
64	M	98.9	Very high	98.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-43.3	172.2	-71.3	-178.6	77.3	0	0	111.6	C49 I51 S55 T60 L61 S67 G68 M69 T365 L372 V375	C49-M64 HydrophobicContact CB-CE 3.53Å; I51-M64 HydrophobicContact CD1-CE 4.16Å; I51-M64 HydrophobicContact CD1-SD 4.41Å; S55-M64 VanDerWaalsContact CB-SD 3.51Å; T60-M64 HydrophobicContact CG2-CG 4.29Å; T60-M64 HydrophobicContact CG2-SD 4.28Å; T60-M64 WeakPolarHBondContact O-CG 3.29Å; T60-M64 PolarHBondContact O-N 2.88Å; L61-M64 HydrophobicContact CD2-SD 4.43Å; L61-M64 PolarHBondContact O-N 3.48Å; M64-S67 PolarHBondContact O-N 3.25Å; M64-G68 PolarHBondContact O-N 2.73Å; M64-M69 HydrophobicContact CB-CB 4.18Å; M64-M69 HydrophobicContact CB-CE 4.27Å; M64-M69 HydrophobicContact CB-SD 4.04Å; M64-M69 HydrophobicContact CE-SD 3.76Å; M64-M69 WeakPolarHBondContact O-CB 3.49Å; M64-M69 PolarHBondContact O-N 3.25Å; M64-M69 HydrophobicContact SD-SD 4.37Å; M64-T365 HydrophobicContact CE-CG2 3.82Å; M64-L372 HydrophobicContact CB-CD2 4.42Å; M64-L372 HydrophobicContact CG-CD2 3.56Å; M64-V375 HydrophobicContact CE-CG2 3.99Å
65	I	98.9	Very high	98.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-47.7	174.8	-65.5	164.3	0	0	0	109.3	L61 K62 S67 G68 M69 A94 F98 R106 V108	L61-I65 VanDerWaalsContact O-CG1 3.22Å; L61-I65 WeakPolarHBondContact O-CG1 3.36Å; L61-I65 PolarHBondContact O-N 3.06Å; K62-I65 PolarHBondContact O-N 3.02Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 3.23Å; I65-G68 PolarHBondContact O-N 3.08Å; I65-M69 HydrophobicContact CG1-CE 3.78Å; I65-A94 HydrophobicContact CD1-CB 4.07Å; I65-F98 HydrophobicContact CB-CE2 4.38Å; I65-F98 HydrophobicContact CD1-CE2 4.4Å; I65-F98 HydrophobicContact CG2-CD2 4.45Å; I65-F98 HydrophobicContact CG2-CE2 4.21Å; I65-R106 HydrophobicContact CG2-CB 4.45Å; I65-R106 PolarHBondContact O-NH1 2.93Å; I65-R106 PolarHBondContact O-NH2 3.35Å; I65-V108 HydrophobicContact CD1-CG2 3.88Å; I65-V108 HydrophobicContact CG1-CG2 3.8Å; I65-V108 HydrophobicContact CG2-CG2 4.27Å
66	K	98.8	Very high	98.7	Very high	105 Å²	105	29.6 Å²	29.6	46%	0.457	15%	0.149	S	C	.	.	H	α-helix	trans	-54.9	-42.7	172.6	-72.6	168.2	66.5	-158.7	0	113.1	K62 E63 G68 F98 R106	K62-K66 WeakPolarHBondContact O-CG 3.28Å; K62-K66 PolarHBondContact O-N 3.25Å; E63-K66 PolarHBondContact O-N 3.34Å; E63-K66 WeakPolarHBondContact OE1-CD 3.36Å; E63-K66 IonicContact OE1-NZ 2.71Å; E63-K66 PolarHBondContact OE1-NZ 3.45Å; E63-K66 IonicContact OE2-NZ 3.66Å; E63-K66 PolarHBondContact OE2-NZ 2.85Å; K66-G68 VanDerWaalsContact C-N 3.3Å; K66-G68 PolarHBondContact O-N 3.09Å; K66-F98 HydrophobicContact CD-CE1 4.37Å; K66-F98 HydrophobicContact CD-CZ 4.17Å; K66-F98 HydrophobicContact CG-CE1 4.29Å; K66-F98 HydrophobicContact CG-CZ 4.03Å; K66-R106 VanDerWaalsContact CA-NH2 3.26Å; K66-R106 PolarHBondContact O-NH1 3.46Å
67	S	98.8	Very high	98.4	Very high	14 Å²	14	28.3 Å²	28.3	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-73.5	-18.4	-178.7	-60.2	0	0	0	0	114	E63 M64 I65 R376	E63-S67 VanDerWaalsContact O-CB 3.27Å; E63-S67 WeakPolarHBondContact O-CB 3.3Å; E63-S67 PolarHBondContact O-N 3.43Å; E63-S67 PolarHBondContact O-OG 3.36Å; M64-S67 PolarHBondContact O-N 3.25Å; I65-S67 VanDerWaalsContact C-N 3.3Å; I65-S67 PolarHBondContact O-N 3.23Å; S67-R376 PolarHBondContact OG-NE 2.82Å
68	G	98.6	Very high	98	Very high	13 Å²	13	31.6 Å²	31.6	13%	0.134	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	130.6	6.8	171.7	0	0	0	0	0	116.5	M64 I65 K66 N70	M64-G68 PolarHBondContact O-N 2.73Å; I65-G68 PolarHBondContact O-N 3.08Å; K66-G68 VanDerWaalsContact C-N 3.3Å; K66-G68 PolarHBondContact O-N 3.09Å; G68-N70 PolarHBondContact O-N 3.28Å; G68-N70 PolarHBondContact O-OD1 3.26Å
69	M	98.9	Very high	97.7	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.02	17%	0.173	C	C	.	.			trans	-61.1	131.2	176.7	-179.6	179.9	81.5	0	0	111.5	C49 I51 L61 M64 I65 V108	C49-M69 HydrophobicContact CB-CG 3.92Å; C49-M69 HydrophobicContact CB-SD 3.68Å; I51-M69 HydrophobicContact CD1-SD 3.91Å; L61-M69 HydrophobicContact CD2-CE 4.09Å; M64-M69 HydrophobicContact CB-CB 4.18Å; M64-M69 HydrophobicContact CB-CE 4.27Å; M64-M69 HydrophobicContact CB-SD 4.04Å; M64-M69 HydrophobicContact CE-SD 3.76Å; M64-M69 WeakPolarHBondContact O-CB 3.49Å; M64-M69 PolarHBondContact O-N 3.25Å; M64-M69 HydrophobicContact SD-SD 4.37Å; I65-M69 HydrophobicContact CG1-CE 3.78Å; M69-V108 HydrophobicContact CE-CG1 4.11Å
70	N	98.9	Very high	97.6	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.091	17%	0.169	C	C	.	.			trans	-111.1	-33.6	179	-56.7	117.8	0	0	0	113.1	R43 I47 G68 V108 A109 H464	R43-N70 VanDerWaalsContact CZ-OD1 3.23Å; R43-N70 PolarHBondContact NH1-OD1 2.92Å; R43-N70 PolarHBondContact NH2-OD1 2.86Å; I47-N70 PolarHBondContact N-OD1 3.47Å; I47-N70 WeakPolarHBondContact O-CB 2.99Å; I47-N70 PolarHBondContact O-N 3.35Å; G68-N70 PolarHBondContact O-N 3.28Å; G68-N70 PolarHBondContact O-OD1 3.26Å; N70-V108 WeakPolarHBondContact O-CA 3.38Å; N70-A109 PolarHBondContact O-N 3.37Å; N70-H464 HydrophobicContact CB-CB 3.97Å
71	V	99	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	129.5	-178.3	-176.4	0	0	0	0	109.3	I47 I48 C49 A109 A111 M239 H464	I47-V71 PolarHBondContact O-N 3.36Å; I48-V71 WeakPolarHBondContact CA-O 3.44Å; I48-V71 HydrophobicContact CB-CB 4.29Å; I48-V71 HydrophobicContact CG1-CB 3.94Å; I48-V71 HydrophobicContact CG1-CG2 4.13Å; I48-V71 HydrophobicContact CG2-CB 4.09Å; I48-V71 HydrophobicContact CG2-CG1 4.14Å; C49-V71 PolarHBondContact N-O 3Å; V71-A109 CarbonylContact C-O 3.59Å; V71-A109 WeakPolarHBondContact CA-O 3.41Å; V71-A109 HydrophobicContact CB-CB 4.41Å; V71-A109 HydrophobicContact CG1-CB 4.19Å; V71-A109 HydrophobicContact CG2-CB 3.99Å; V71-A111 HydrophobicContact CG1-CB 3.75Å; V71-M239 HydrophobicContact CG1-SD 4.06Å; V71-H464 HydrophobicContact CG2-CB 4.17Å
72	A	98.9	Very high	97.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	112.2	170.2	0	0	0	0	0	109.4	I51 V91 A109 A111	I51-A72 HydrophobicContact CD1-CB 4.25Å; I51-A72 HydrophobicContact CG1-CB 3.76Å; A72-V91 HydrophobicContact CB-CG1 3.95Å; A72-V91 HydrophobicContact CB-CG2 3.85Å; A72-A109 PolarHBondContact N-O 2.82Å; A72-A111 PolarHBondContact O-N 3.42Å
73	R	98.9	Very high	97.6	Very high	17 Å²	17	38.1 Å²	38.1	6%	0.064	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.4	175.3	170.8	-179.1	176.1	-91.9	-3.2	110.5	I48 C49 T50 I51 D113 F241 M360	I48-R73 HydrophobicContact CG2-CB 3.97Å; C49-R73 PolarHBondContact O-N 2.84Å; T50-R73 WeakPolarHBondContact CA-O 3.26Å; T50-R73 VanDerWaalsContact CG2-NH1 3.28Å; T50-R73 WeakPolarHBondContact OG1-CD 3.48Å; T50-R73 PolarHBondContact OG1-NH1 3.24Å; I51-R73 PolarHBondContact N-O 2.89Å; R73-D113 HydrophobicContact CG-CB 4.18Å; R73-D113 IonicContact CZ-OD2 2.6Å; R73-D113 IonicContact NE-OD2 2.81Å; R73-D113 PolarHBondContact NE-OD2 3.16Å; R73-D113 IonicContact NH2-OD1 3.28Å; R73-D113 IonicContact NH2-OD2 3.43Å; R73-D113 PolarHBondContact NH2-OD2 3.31Å; R73-F241 HydrophobicContact CB-CE2 4.18Å; R73-F241 HydrophobicContact CG-CD2 4.14Å; R73-F241 HydrophobicContact CG-CE2 4.07Å; R73-M360 WeakPolarHBondContact CD-SD 3.48Å
74	L	98.9	Very high	97.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.5	174.6	-54.9	173.3	0	0	0	108.6	I51 F76 T87 I88 V110 A111 D113	I51-L74 HydrophobicContact CB-CD2 4.46Å; L74-F76 HydrophobicContact CB-CD2 4.21Å; L74-F76 HydrophobicContact CB-CE2 3.81Å; L74-F76 HydrophobicContact CD1-CE2 4.43Å; L74-T87 HydrophobicContact CD2-CG2 3.57Å; L74-I88 HydrophobicContact CD1-CD1 3.65Å; L74-I88 HydrophobicContact CD1-CG1 3.38Å; L74-V110 HydrophobicContact CD1-CG1 3.78Å; L74-V110 HydrophobicContact CG-CG1 4.4Å; L74-A111 PolarHBondContact N-O 2.9Å; L74-D113 WeakPolarHBondContact O-CB 3.39Å; L74-D113 PolarHBondContact O-N 3.04Å
75	N	98.1	Very high	97.6	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.193	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	107.1	-178.7	-175.9	-1.1	0	0	0	110.7	T50 S77 H78 H84	T50-N75 HydrophobicContact CG2-CB 4.28Å; N75-S77 VanDerWaalsContact C-N 3.29Å; N75-S77 PolarHBondContact O-N 3.5Å; N75-S77 WeakPolarHBondContact OD1-CB 3.5Å; N75-S77 PolarHBondContact OD1-N 3.43Å; N75-S77 VanDerWaalsContact OD1-N 3.08Å; N75-S77 PolarHBondContact OD1-OG 3.06Å; N75-H78 PolarHBondContact O-N 3.16Å; N75-H84 PolarHBondContact O-CE1 2.9Å; N75-H84 PolarHBondContact O-NE2 3.05Å
76	F	97.3	Very high	97.6	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.022	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.4	-178.1	-80.7	-121.8	0	0	0	113.9	L74 H78 H84 L112 D113 D228 F231	L74-F76 HydrophobicContact CB-CD2 4.21Å; L74-F76 HydrophobicContact CB-CE2 3.81Å; L74-F76 HydrophobicContact CD1-CE2 4.43Å; F76-H78 PolarHBondContact O-N 3.01Å; F76-H84 AromaticContact CD2-CD2 3.91Å; F76-H84 AromaticContact CD2-NE2 3.92Å; F76-H84 AromaticContact CE1-CD2 3.97Å; F76-H84 HydrophobicContact CE2-CB 4.2Å; F76-H84 AromaticContact CE2-CD2 3.75Å; F76-H84 AromaticContact CE2-CG 3.83Å; F76-H84 HydrophobicContact CZ-CB 3.97Å; F76-H84 AromaticContact CZ-CD2 3.8Å; F76-H84 AromaticContact CZ-CG 3.96Å; F76-L112 HydrophobicContact CD1-CD1 4.48Å; F76-L112 HydrophobicContact CD2-CD1 4.32Å; F76-L112 HydrophobicContact CD2-CD2 4.4Å; F76-L112 HydrophobicContact CD2-CG 3.79Å; F76-L112 HydrophobicContact CE1-CD1 3.93Å; F76-L112 HydrophobicContact CE1-CG 4.43Å; F76-L112 HydrophobicContact CE2-CB 4.42Å; F76-L112 HydrophobicContact CE2-CD1 3.79Å; F76-L112 HydrophobicContact CE2-CG 3.59Å; F76-L112 HydrophobicContact CG-CG 4.31Å; F76-L112 HydrophobicContact CZ-CD1 3.55Å; F76-L112 HydrophobicContact CZ-CG 3.92Å; F76-D113 WeakPolarHBondContact CB-O 3.36Å; F76-D113 PolarHBondContact N-O 3.3Å; F76-D228 HydrophobicContact CD1-CB 3.66Å; F76-D228 HydrophobicContact CE1-CB 4.08Å; F76-F231 AromaticContact CE1-CD1 3.73Å; F76-F231 HydrophobicContact CE1-CD1 3.73Å; F76-F231 HydrophobicContact CE1-CE1 4.07Å; F76-F231 AromaticContact CZ-CD1 3.69Å; F76-F231 HydrophobicContact CZ-CD1 3.69Å; F76-F231 AromaticContact CZ-CE1 3.7Å; F76-F231 HydrophobicContact CZ-CE1 3.7Å
77	S	90.9	Very high	97.6	Very high	20 Å²	20	35.9 Å²	35.9	14%	0.14	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.6	163.3	-58.4	0	0	0	0	112	N75 E118	N75-S77 VanDerWaalsContact C-N 3.29Å; N75-S77 PolarHBondContact O-N 3.5Å; N75-S77 WeakPolarHBondContact OD1-CB 3.5Å; N75-S77 PolarHBondContact OD1-N 3.43Å; N75-S77 VanDerWaalsContact OD1-N 3.08Å; N75-S77 PolarHBondContact OD1-OG 3.06Å; S77-E118 WeakPolarHBondContact CB-OE1 3.47Å; S77-E118 PolarHBondContact OG-OE1 3.37Å
78	H	90.4	Very high	97.6	Very high	113 Å²	113	35.2 Å²	35.2	52%	0.523	19%	0.192	S	C	.	.	S	Bend	trans	-133.1	163.9	176.9	-53.6	-60.1	0	0	0	111.9	N75 F76 H84	N75-H78 PolarHBondContact O-N 3.16Å; F76-H78 PolarHBondContact O-N 3.01Å; H78-H84 PolarHBondContact O-NE2 2.84Å
79	G	92.5	Very high	97.6	Very high	46 Å²	46	41.4 Å²	41.4	47%	0.474	22%	0.215	S	C	.	.	S	Bend	trans	77.5	169.3	178.1	0	0	0	0	0	114
80	T	97.5	Very high	97.6	Very high	83 Å²	83	42.4 Å²	42.4	51%	0.509	22%	0.22	S	C	.	.			trans	-105.4	170.3	174.2	62.4	0	0	0	0	110.2	E82 Y83 H84	T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 3.38Å; T80-Y83 PolarHBondContact O-N 3.29Å; T80-Y83 PolarHBondContact OG1-N 2.93Å; T80-H84 PolarHBondContact O-CD2 2.87Å; T80-H84 VanDerWaalsContact O-CD2 3.25Å; T80-H84 PolarHBondContact O-N 3.19Å; T80-H84 VanDerWaalsContact O-N 3.08Å
81	H	98.6	Very high	97.6	Very high	58 Å²	58	41.7 Å²	41.7	27%	0.269	22%	0.217	S	C	.	.	H	α-helix	trans	-58.1	-41	173.6	-72.1	-174.6	0	0	0	111.8	Y83 H84 A85 D228 F231	H81-Y83 PolarHBondContact O-N 3.01Å; H81-H84 PolarHBondContact O-N 3.37Å; H81-A85 VanDerWaalsContact O-CB 3.28Å; H81-A85 WeakPolarHBondContact O-CB 3.08Å; H81-A85 PolarHBondContact O-N 3.24Å; H81-D228 IonicContact CD2-OD1 3.99Å; H81-D228 IonicContact CE1-OD1 3.15Å; H81-D228 IonicContact NE2-OD1 2.72Å; H81-D228 PolarHBondContact NE2-OD1 3.11Å; H81-F231 HydrophobicContact CB-CD2 3.91Å; H81-F231 HydrophobicContact CB-CE2 3.77Å; H81-F231 HydrophobicContact CB-CG 4.39Å; H81-F231 HydrophobicContact CB-CZ 4.15Å; H81-F231 AromaticContact CG-CD2 3.84Å; H81-F231 AromaticContact CG-CG 3.92Å; H81-F231 AromaticContact ND1-CD2 3.77Å; H81-F231 AromaticContact ND1-CG 3.85Å; H81-F231 VanDerWaalsContact O-CZ 3.27Å; H81-F231 WeakPolarHBondContact O-CZ 3.35Å
82	E	98.6	Very high	97.6	Very high	143 Å²	143	45.9 Å²	45.9	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-60.4	-44.6	175.3	-75.5	70.7	-158.3	0	0	112.5	T80 H84 A85 E86	T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 3.38Å; E82-H84 VanDerWaalsContact C-N 3.32Å; E82-H84 PolarHBondContact O-N 2.99Å; E82-A85 PolarHBondContact O-N 3.21Å; E82-E86 PolarHBondContact O-N 3.23Å
83	Y	98.5	Very high	97.6	Very high	60 Å²	60	49.2 Å²	49.2	24%	0.235	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-44.2	178.3	176.4	-90.1	0	0	0	111.4	P53 R56 T80 H81 T87	P53-Y83 WeakPolarHBondContact CD-OH 3.36Å; R56-Y83 PolarHBondContact NH2-O 3.18Å; T80-Y83 PolarHBondContact O-N 3.29Å; T80-Y83 PolarHBondContact OG1-N 2.93Å; H81-Y83 PolarHBondContact O-N 3.01Å; Y83-T87 WeakPolarHBondContact O-CB 3.45Å; Y83-T87 PolarHBondContact O-N 3.25Å; Y83-T87 VanDerWaalsContact O-N 3.1Å; Y83-T87 PolarHBondContact O-OG1 3.45Å
84	H	98.8	Very high	97.6	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.023	25%	0.249	C	C	.	.	H	α-helix	trans	-72.1	-37.6	178.5	-70.3	-49.9	0	0	0	112.2	N75 F76 H78 T80 H81 E82 E86 T87 I88 F231	N75-H84 PolarHBondContact O-CE1 2.9Å; N75-H84 PolarHBondContact O-NE2 3.05Å; F76-H84 AromaticContact CD2-CD2 3.91Å; F76-H84 AromaticContact CD2-NE2 3.92Å; F76-H84 AromaticContact CE1-CD2 3.97Å; F76-H84 HydrophobicContact CE2-CB 4.2Å; F76-H84 AromaticContact CE2-CD2 3.75Å; F76-H84 AromaticContact CE2-CG 3.83Å; F76-H84 HydrophobicContact CZ-CB 3.97Å; F76-H84 AromaticContact CZ-CD2 3.8Å; F76-H84 AromaticContact CZ-CG 3.96Å; H78-H84 PolarHBondContact O-NE2 2.84Å; T80-H84 PolarHBondContact O-CD2 2.87Å; T80-H84 VanDerWaalsContact O-CD2 3.25Å; T80-H84 PolarHBondContact O-N 3.19Å; T80-H84 VanDerWaalsContact O-N 3.08Å; H81-H84 PolarHBondContact O-N 3.37Å; E82-H84 VanDerWaalsContact C-N 3.32Å; E82-H84 PolarHBondContact O-N 2.99Å; H84-E86 PolarHBondContact O-N 2.85Å; H84-T87 WeakPolarHBondContact O-CB 3.44Å; H84-T87 PolarHBondContact O-N 2.83Å; H84-T87 VanDerWaalsContact O-N 3.15Å; H84-I88 VanDerWaalsContact O-CG1 3.27Å; H84-I88 WeakPolarHBondContact O-CG1 3.37Å; H84-I88 PolarHBondContact O-N 3.37Å; H84-F231 HydrophobicContact CB-CE1 4.18Å; H84-F231 HydrophobicContact CB-CZ 4.48Å
85	A	98.9	Very high	97.6	Very high	26 Å²	26	48.5 Å²	48.5	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-46.7	173.8	0	0	0	0	0	111.8	H81 E82 T87 I88 K89 F231	H81-A85 VanDerWaalsContact O-CB 3.28Å; H81-A85 WeakPolarHBondContact O-CB 3.08Å; H81-A85 PolarHBondContact O-N 3.24Å; E82-A85 PolarHBondContact O-N 3.21Å; A85-T87 VanDerWaalsContact C-N 3.29Å; A85-T87 PolarHBondContact O-N 2.66Å; A85-I88 PolarHBondContact O-N 3.27Å; A85-K89 WeakPolarHBondContact O-CB 3.46Å; A85-K89 PolarHBondContact O-N 3.13Å; A85-F231 HydrophobicContact CB-CE2 4.26Å; A85-F231 HydrophobicContact CB-CZ 3.92Å
86	E	98.8	Very high	97.6	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-39.8	174.9	-170.5	-164.8	157.8	0	0	111.1	R56 E82 H84 K89 N90	R56-E86 IonicContact CZ-OE1 3.98Å; R56-E86 IonicContact CZ-OE2 2.71Å; R56-E86 IonicContact NH1-OE1 3.01Å; R56-E86 PolarHBondContact NH1-OE1 3.28Å; R56-E86 IonicContact NH1-OE2 3.89Å; R56-E86 PolarHBondContact NH1-OE2 3.19Å; R56-E86 IonicContact NH2-OE1 2.87Å; R56-E86 IonicContact NH2-OE2 3.03Å; R56-E86 PolarHBondContact NH2-OE2 3.17Å; E82-E86 PolarHBondContact O-N 3.23Å; H84-E86 PolarHBondContact O-N 2.85Å; E86-K89 WeakPolarHBondContact O-CB 3.31Å; E86-K89 PolarHBondContact O-N 3.4Å; E86-N90 VanDerWaalsContact O-CG 3.27Å; E86-N90 PolarHBondContact O-N 3.13Å; E86-N90 PolarHBondContact O-OD1 3.38Å
87	T	98.9	Very high	97.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-43.5	178.7	-55.9	0	0	0	0	111.2	I51 R56 L74 Y83 H84 A85 K89 N90 V91	I51-T87 HydrophobicContact CB-CG2 3.99Å; I51-T87 HydrophobicContact CG2-CG2 3.48Å; I51-T87 VanDerWaalsContact CG2-CG2 3.48Å; R56-T87 HydrophobicContact CB-CG2 4.38Å; L74-T87 HydrophobicContact CD2-CG2 3.57Å; Y83-T87 WeakPolarHBondContact O-CB 3.45Å; Y83-T87 PolarHBondContact O-N 3.25Å; Y83-T87 VanDerWaalsContact O-N 3.1Å; Y83-T87 PolarHBondContact O-OG1 3.45Å; H84-T87 WeakPolarHBondContact O-CB 3.44Å; H84-T87 PolarHBondContact O-N 2.83Å; H84-T87 VanDerWaalsContact O-N 3.15Å; A85-T87 VanDerWaalsContact C-N 3.29Å; A85-T87 PolarHBondContact O-N 2.66Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 3.48Å; T87-N90 PolarHBondContact O-N 2.82Å; T87-V91 WeakPolarHBondContact O-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.03Å
88	I	98.9	Very high	98	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-45.4	173.7	-68.9	168.9	0	0	0	110.6	L74 H84 A85 N90 V91 R92 V110 F231 Q235 V237	L74-I88 HydrophobicContact CD1-CD1 3.65Å; L74-I88 HydrophobicContact CD1-CG1 3.38Å; H84-I88 VanDerWaalsContact O-CG1 3.27Å; H84-I88 WeakPolarHBondContact O-CG1 3.37Å; H84-I88 PolarHBondContact O-N 3.37Å; A85-I88 PolarHBondContact O-N 3.27Å; I88-N90 VanDerWaalsContact C-N 3.32Å; I88-N90 PolarHBondContact O-N 3.3Å; I88-V91 PolarHBondContact O-N 2.88Å; I88-R92 WeakPolarHBondContact O-CG 3.2Å; I88-R92 PolarHBondContact O-N 2.82Å; I88-V110 HydrophobicContact CG1-CG1 4.11Å; I88-F231 HydrophobicContact CD1-CE1 4.42Å; I88-Q235 HydrophobicContact CD1-CB 3.74Å; I88-Q235 HydrophobicContact CD1-CG 3.9Å; I88-V237 HydrophobicContact CD1-CG1 4.4Å
89	K	98.9	Very high	98.3	Very high	142 Å²	142	50.8 Å²	50.8	62%	0.617	27%	0.268	S	S	*	.	H	α-helix	trans	-58.1	-44.8	175.8	-178.4	-176.1	174.8	-173.9	0	111.3	A85 E86 T87 R92 T93	A85-K89 WeakPolarHBondContact O-CB 3.46Å; A85-K89 PolarHBondContact O-N 3.13Å; E86-K89 WeakPolarHBondContact O-CB 3.31Å; E86-K89 PolarHBondContact O-N 3.4Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 3.48Å; K89-R92 PolarHBondContact O-N 2.95Å; K89-T93 WeakPolarHBondContact O-CB 3.33Å; K89-T93 PolarHBondContact O-N 2.6Å; K89-T93 PolarHBondContact O-OG1 3.49Å
90	N	98.9	Very high	98.6	Very high	25 Å²	25	54.1 Å²	54.1	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-41.5	179.5	-68.7	-7.1	0	0	0	111.9	R56 V58 L61 E86 T87 I88 T93 A94	R56-N90 WeakPolarHBondContact O-CB 3.44Å; R56-N90 PolarHBondContact O-ND2 3.15Å; V58-N90 HydrophobicContact CG2-CB 3.84Å; L61-N90 HydrophobicContact CD1-CB 3.79Å; E86-N90 VanDerWaalsContact O-CG 3.27Å; E86-N90 PolarHBondContact O-N 3.13Å; E86-N90 PolarHBondContact O-OD1 3.38Å; T87-N90 PolarHBondContact O-N 2.82Å; I88-N90 VanDerWaalsContact C-N 3.32Å; I88-N90 PolarHBondContact O-N 3.3Å; N90-T93 PolarHBondContact O-N 3.45Å; N90-A94 WeakPolarHBondContact O-CB 3.35Å; N90-A94 PolarHBondContact O-N 3.03Å
91	V	98.9	Very high	98.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-48.6	174.6	170.8	0	0	0	0	110.7	L61 A72 T87 I88 A94 T95 V108 V110	L61-V91 HydrophobicContact CD1-CG2 3.91Å; L61-V91 HydrophobicContact CD2-CG2 3.96Å; A72-V91 HydrophobicContact CB-CG1 3.95Å; A72-V91 HydrophobicContact CB-CG2 3.85Å; T87-V91 WeakPolarHBondContact O-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.03Å; I88-V91 PolarHBondContact O-N 2.88Å; V91-A94 PolarHBondContact O-N 3.22Å; V91-T95 WeakPolarHBondContact O-CB 3.41Å; V91-T95 PolarHBondContact O-N 3.01Å; V91-T95 PolarHBondContact O-OG1 2.85Å; V91-V108 HydrophobicContact CG1-CG1 4.09Å; V91-V110 HydrophobicContact CG1-CG2 4.18Å
92	R	98.8	Very high	98.5	Very high	88 Å²	88	52.6 Å²	52.6	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-44	176.4	-72.8	176	170.1	155.5	0.5	111.8	I88 K89 A94 T95 E96 Q235 D236	I88-R92 WeakPolarHBondContact O-CG 3.2Å; I88-R92 PolarHBondContact O-N 2.82Å; K89-R92 PolarHBondContact O-N 2.95Å; R92-A94 PolarHBondContact O-N 2.79Å; R92-T95 PolarHBondContact O-N 2.93Å; R92-E96 WeakPolarHBondContact O-CB 3.5Å; R92-E96 WeakPolarHBondContact O-CG 3.35Å; R92-E96 PolarHBondContact O-N 2.96Å; R92-Q235 VanDerWaalsContact CZ-O 3.23Å; R92-Q235 PolarHBondContact NH1-O 3.34Å; R92-Q235 PolarHBondContact NH2-O 2.93Å; R92-D236 PolarHBondContact NH2-O 2.96Å; R92-D236 IonicContact NH2-OD2 3.79Å
93	T	98.9	Very high	98.5	Very high	69 Å²	69	47.6 Å²	47.6	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-44.7	178.6	-57	0	0	0	0	111.8	V58 K89 N90 S97	V58-T93 HydrophobicContact CG1-CG2 4.09Å; V58-T93 HydrophobicContact CG2-CG2 4.22Å; K89-T93 WeakPolarHBondContact O-CB 3.33Å; K89-T93 PolarHBondContact O-N 2.6Å; K89-T93 PolarHBondContact O-OG1 3.49Å; N90-T93 PolarHBondContact O-N 3.45Å; T93-S97 PolarHBondContact O-N 2.69Å
94	A	98.9	Very high	98.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-43.1	175.4	0	0	0	0	0	111.7	V58 L61 K62 I65 N90 V91 R92 S97 F98	V58-A94 HydrophobicContact CG1-CB 4.24Å; L61-A94 HydrophobicContact CB-CB 3.53Å; K62-A94 HydrophobicContact CG-CB 3.88Å; I65-A94 HydrophobicContact CD1-CB 4.07Å; N90-A94 WeakPolarHBondContact O-CB 3.35Å; N90-A94 PolarHBondContact O-N 3.03Å; V91-A94 PolarHBondContact O-N 3.22Å; R92-A94 PolarHBondContact O-N 2.79Å; A94-S97 WeakPolarHBondContact O-CB 3.44Å; A94-S97 PolarHBondContact O-N 3.35Å; A94-S97 PolarHBondContact O-OG 2.81Å; A94-F98 WeakPolarHBondContact O-CD2 3.44Å; A94-F98 WeakPolarHBondContact O-CE2 3.25Å
95	T	98.8	Very high	98.4	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-51.1	-179.7	-56.4	0	0	0	0	111.6	V91 R92 S97 F98 Y105 V108	V91-T95 WeakPolarHBondContact O-CB 3.41Å; V91-T95 PolarHBondContact O-N 3.01Å; V91-T95 PolarHBondContact O-OG1 2.85Å; R92-T95 PolarHBondContact O-N 2.93Å; T95-S97 PolarHBondContact O-N 3.24Å; T95-F98 PolarHBondContact O-N 3.26Å; T95-Y105 HydrophobicContact CG2-CE2 3.93Å; T95-V108 HydrophobicContact CG2-CB 4.01Å; T95-V108 HydrophobicContact CG2-CG2 3.87Å; T95-V108 WeakPolarHBondContact OG1-CB 3.48Å
96	E	98.6	Very high	98.4	Very high	93 Å²	93	50 Å²	50	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-71.6	-13.9	-177.5	-63	-51.9	117.5	0	0	113.2	R92 F98 A99 Y105	R92-E96 WeakPolarHBondContact O-CB 3.5Å; R92-E96 WeakPolarHBondContact O-CG 3.35Å; R92-E96 PolarHBondContact O-N 2.96Å; E96-F98 PolarHBondContact O-N 3.43Å; E96-F98 VanDerWaalsContact O-N 3.12Å; E96-A99 VanDerWaalsContact O-CB 3.23Å; E96-A99 WeakPolarHBondContact O-CB 3.47Å; E96-A99 PolarHBondContact O-N 2.89Å; E96-Y105 PolarHBondContact OE1-OH 3.25Å
97	S	98.7	Very high	98.4	Very high	49 Å²	49	45.9 Å²	45.9	34%	0.343	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.2	170.9	79.3	0	0	0	0	114	K62 T93 A94 T95	K62-S97 VanDerWaalsContact CE-OG 3.22Å; K62-S97 WeakPolarHBondContact CE-OG 3.46Å; T93-S97 PolarHBondContact O-N 2.69Å; A94-S97 WeakPolarHBondContact O-CB 3.44Å; A94-S97 PolarHBondContact O-N 3.35Å; A94-S97 PolarHBondContact O-OG 2.81Å; T95-S97 PolarHBondContact O-N 3.24Å
98	F	98.3	Very high	98.4	Very high	49 Å²	49	46.1 Å²	46.1	22%	0.215	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.8	174	-56.7	-77.2	0	0	0	113.1	K62 I65 K66 A94 T95 E96 S100 Y105	K62-F98 HydrophobicContact CB-CE2 4.23Å; K62-F98 HydrophobicContact CB-CZ 4.05Å; K62-F98 HydrophobicContact CG-CE2 4.11Å; K62-F98 HydrophobicContact CG-CZ 4.21Å; I65-F98 HydrophobicContact CB-CE2 4.38Å; I65-F98 HydrophobicContact CD1-CE2 4.4Å; I65-F98 HydrophobicContact CG2-CD2 4.45Å; I65-F98 HydrophobicContact CG2-CE2 4.21Å; K66-F98 HydrophobicContact CD-CE1 4.37Å; K66-F98 HydrophobicContact CD-CZ 4.17Å; K66-F98 HydrophobicContact CG-CE1 4.29Å; K66-F98 HydrophobicContact CG-CZ 4.03Å; A94-F98 WeakPolarHBondContact O-CD2 3.44Å; A94-F98 WeakPolarHBondContact O-CE2 3.25Å; T95-F98 PolarHBondContact O-N 3.26Å; E96-F98 PolarHBondContact O-N 3.43Å; E96-F98 VanDerWaalsContact O-N 3.12Å; F98-S100 VanDerWaalsContact C-N 3.28Å; F98-S100 PolarHBondContact O-N 3.27Å; F98-Y105 HydrophobicContact CB-CD2 4.39Å
99	A	97.1	Very high	98.4	Very high	30 Å²	30	46.1 Å²	46.1	25%	0.248	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.6	-172.7	0	0	0	0	0	114.1	E96 D101 Y105	E96-A99 VanDerWaalsContact O-CB 3.23Å; E96-A99 WeakPolarHBondContact O-CB 3.47Å; E96-A99 PolarHBondContact O-N 2.89Å; A99-D101 PolarHBondContact O-N 3.34Å; A99-Y105 HydrophobicContact CB-CD2 3.96Å; A99-Y105 HydrophobicContact CB-CE2 4.03Å
100	S	97.1	Very high	98.4	Very high	116 Å²	116	39.5 Å²	39.5	81%	0.811	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23	176.1	53.6	0	0	0	0	113.3	F98	F98-S100 VanDerWaalsContact C-N 3.28Å; F98-S100 PolarHBondContact O-N 3.27Å
101	D	97.8	Very high	98.4	Very high	63 Å²	63	38.3 Å²	38.3	34%	0.337	21%	0.21	S	C	.	.			trans	-119.5	95	172.3	-176.3	-10.9	0	0	0	109.8	A99 I103 L104 Y105	A99-D101 PolarHBondContact O-N 3.34Å; D101-I103 PolarHBondContact O-N 2.73Å; D101-I103 VanDerWaalsContact O-N 3.13Å; D101-I103 WeakPolarHBondContact OD1-CA 3.39Å; D101-I103 VanDerWaalsContact OD1-CB 3.25Å; D101-I103 WeakPolarHBondContact OD1-CB 3.31Å; D101-I103 PolarHBondContact OD1-N 2.69Å; D101-L104 HydrophobicContact CB-CB 4.33Å; D101-L104 CarbonylContact O-C 3.51Å; D101-L104 PolarHBondContact O-N 2.88Å; D101-L104 VanDerWaalsContact O-N 3.08Å; D101-L104 PolarHBondContact OD1-N 2.78Å; D101-L104 VanDerWaalsContact OD2-CD1 3.28Å; D101-L104 WeakPolarHBondContact OD2-CD1 3.1Å; D101-L104 VanDerWaalsContact OD2-CG 3.27Å; D101-L104 WeakPolarHBondContact OD2-CG 3.41Å; D101-Y105 WeakPolarHBondContact O-CB 3.32Å; D101-Y105 PolarHBondContact O-N 2.65Å
102	P	96.9	Very high	98.4	Very high	46 Å²	46	38.2 Å²	38.2	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.6	178.3	-25.5	35.3	0	0	0	114.3	K475 F492	P102-K475 HydrophobicContact CG-CG 4.46Å; P102-F492 HydrophobicContact CB-CE2 4.04Å; P102-F492 HydrophobicContact CB-CZ 4.29Å; P102-F492 WeakPolarHBondContact O-CZ 3.25Å
103	I	98.1	Very high	98.4	Very high	39 Å²	39	34 Å²	34	20%	0.2	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.6	178.2	-59.4	-66.5	0	0	0	110.5	D101 F492 N495 V496 A499	D101-I103 PolarHBondContact O-N 2.73Å; D101-I103 VanDerWaalsContact O-N 3.13Å; D101-I103 WeakPolarHBondContact OD1-CA 3.39Å; D101-I103 VanDerWaalsContact OD1-CB 3.25Å; D101-I103 WeakPolarHBondContact OD1-CB 3.31Å; D101-I103 PolarHBondContact OD1-N 2.69Å; I103-F492 HydrophobicContact CD1-CD2 3.59Å; I103-F492 HydrophobicContact CD1-CE2 3.53Å; I103-F492 HydrophobicContact CG1-CE2 4.43Å; I103-N495 HydrophobicContact CD1-CB 3.75Å; I103-V496 HydrophobicContact CD1-CG2 4.02Å; I103-V496 HydrophobicContact CG2-CG2 4.24Å; I103-A499 HydrophobicContact CG2-CB 3.49Å; I103-A499 VanDerWaalsContact CG2-CB 3.49Å
104	L	97.5	Very high	98.3	Very high	73 Å²	73	31 Å²	31	38%	0.382	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-4.2	179.6	-60.5	-176.8	0	0	0	114.3	D101 A499 R500	D101-L104 HydrophobicContact CB-CB 4.33Å; D101-L104 CarbonylContact O-C 3.51Å; D101-L104 PolarHBondContact O-N 2.88Å; D101-L104 VanDerWaalsContact O-N 3.08Å; D101-L104 PolarHBondContact OD1-N 2.78Å; D101-L104 VanDerWaalsContact OD2-CD1 3.28Å; D101-L104 WeakPolarHBondContact OD2-CD1 3.1Å; D101-L104 VanDerWaalsContact OD2-CG 3.27Å; D101-L104 WeakPolarHBondContact OD2-CG 3.41Å; L104-A499 HydrophobicContact CD2-CB 4.29Å; L104-R500 VanDerWaalsContact CA-NH2 3.34Å; L104-R500 PolarHBondContact O-NH2 2.61Å
105	Y	98.6	Very high	98.1	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.067	18%	0.183	C	C	.	.			trans	-59.8	145.4	171.6	179.4	-102.6	0	0	0	111	T95 E96 F98 A99 D101 P107 L473 R500	T95-Y105 HydrophobicContact CG2-CE2 3.93Å; E96-Y105 PolarHBondContact OE1-OH 3.25Å; F98-Y105 HydrophobicContact CB-CD2 4.39Å; A99-Y105 HydrophobicContact CB-CD2 3.96Å; A99-Y105 HydrophobicContact CB-CE2 4.03Å; D101-Y105 WeakPolarHBondContact O-CB 3.32Å; D101-Y105 PolarHBondContact O-N 2.65Å; Y105-P107 HydrophobicContact CD1-CG 4.35Å; Y105-P107 HydrophobicContact CE1-CB 4.32Å; Y105-P107 HydrophobicContact CE1-CG 3.97Å; Y105-L473 HydrophobicContact CD1-CB 4.46Å; Y105-L473 HydrophobicContact CE1-CB 4.38Å; Y105-L473 HydrophobicContact CE1-CD2 4.24Å; Y105-R500 PolarHBondContact O-NH2 2.93Å
106	R	98.3	Very high	97.6	Very high	52 Å²	52	32.8 Å²	32.8	20%	0.196	18%	0.184	C	C	.	.			trans	-128.5	117.4	173.3	-74	172.6	-69.1	-170.4	-1.3	107.7	I65 K66	I65-R106 HydrophobicContact CG2-CB 4.45Å; I65-R106 PolarHBondContact O-NH1 2.93Å; I65-R106 PolarHBondContact O-NH2 3.35Å; K66-R106 VanDerWaalsContact CA-NH2 3.26Å; K66-R106 PolarHBondContact O-NH1 3.46Å
107	P	98.8	Very high	97.2	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.019	17%	0.169	C	C	.	.			trans	-56.5	142.8	168.3	-19.8	30.8	0	0	0	109.4	Y105 A460 R461 H464 P471	Y105-P107 HydrophobicContact CD1-CG 4.35Å; Y105-P107 HydrophobicContact CE1-CB 4.32Å; Y105-P107 HydrophobicContact CE1-CG 3.97Å; P107-A460 HydrophobicContact CB-CB 4.04Å; P107-A460 HydrophobicContact CG-CB 3.73Å; P107-R461 HydrophobicContact CB-CG 4.07Å; P107-H464 PolarHBondContact O-NE2 3.12Å; P107-P471 HydrophobicContact CG-CB 4.4Å; P107-P471 HydrophobicContact CG-CG 4.29Å
108	V	98.9	Very high	96.7	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.036	16%	0.16	C	C	.	.			trans	-128.2	123.9	173	178.7	0	0	0	0	107.6	I65 M69 N70 V91 T95 R461	I65-V108 HydrophobicContact CD1-CG2 3.88Å; I65-V108 HydrophobicContact CG1-CG2 3.8Å; I65-V108 HydrophobicContact CG2-CG2 4.27Å; M69-V108 HydrophobicContact CE-CG1 4.11Å; N70-V108 WeakPolarHBondContact O-CA 3.38Å; V91-V108 HydrophobicContact CG1-CG1 4.09Å; T95-V108 HydrophobicContact CG2-CB 4.01Å; T95-V108 HydrophobicContact CG2-CG2 3.87Å; T95-V108 WeakPolarHBondContact OG1-CB 3.48Å; V108-R461 WeakPolarHBondContact O-CD 3.45Å; V108-R461 WeakPolarHBondContact O-CG 3.27Å
109	A	98.9	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	154.9	179.2	0	0	0	0	0	111.9	N70 V71 A72 D238 M239 R461	N70-A109 PolarHBondContact O-N 3.37Å; V71-A109 CarbonylContact C-O 3.59Å; V71-A109 WeakPolarHBondContact CA-O 3.41Å; V71-A109 HydrophobicContact CB-CB 4.41Å; V71-A109 HydrophobicContact CG1-CB 4.19Å; V71-A109 HydrophobicContact CG2-CB 3.99Å; A72-A109 PolarHBondContact N-O 2.82Å; A109-D238 WeakPolarHBondContact CA-OD2 3.39Å; A109-D238 HydrophobicContact CB-CB 4.13Å; A109-M239 HydrophobicContact CB-CE 3.74Å; A109-R461 HydrophobicContact CB-CB 3.8Å; A109-R461 WeakPolarHBondContact CB-O 3.5Å
110	V	98.9	Very high	96.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125	172.6	-179.5	0	0	0	0	109.3	L74 I88 V91 V237 D238 M239	L74-V110 HydrophobicContact CD1-CG1 3.78Å; L74-V110 HydrophobicContact CG-CG1 4.4Å; I88-V110 HydrophobicContact CG1-CG1 4.11Å; V91-V110 HydrophobicContact CG1-CG2 4.18Å; V110-V237 HydrophobicContact CG1-CB 4.39Å; V110-V237 HydrophobicContact CG1-CG1 3.95Å; V110-D238 PolarHBondContact N-OD2 3.23Å; V110-D238 PolarHBondContact O-N 3.35Å; V110-M239 PolarHBondContact O-N 3.33Å
111	A	98.9	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	177.4	0	0	0	0	0	111	V71 A72 L74 M239 F241	V71-A111 HydrophobicContact CG1-CB 3.75Å; A72-A111 PolarHBondContact O-N 3.42Å; L74-A111 PolarHBondContact N-O 2.9Å; A111-M239 WeakPolarHBondContact CA-O 3.47Å; A111-M239 HydrophobicContact CB-CG 3.46Å; A111-M239 VanDerWaalsContact CB-CG 3.46Å; A111-M239 HydrophobicContact CB-SD 4.01Å; A111-F241 HydrophobicContact CB-CD1 4.33Å; A111-F241 HydrophobicContact CB-CD2 4.07Å; A111-F241 HydrophobicContact CB-CE1 3.81Å; A111-F241 HydrophobicContact CB-CE2 3.49Å; A111-F241 VanDerWaalsContact CB-CE2 3.49Å; A111-F241 HydrophobicContact CB-CG 4.48Å; A111-F241 HydrophobicContact CB-CZ 3.35Å
112	L	98.9	Very high	96.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	118.4	170.5	-176.9	154.7	0	0	0	108.9	F76 T114 D228 L229 V237 M239 V240 F241	F76-L112 HydrophobicContact CD1-CD1 4.48Å; F76-L112 HydrophobicContact CD2-CD1 4.32Å; F76-L112 HydrophobicContact CD2-CD2 4.4Å; F76-L112 HydrophobicContact CD2-CG 3.79Å; F76-L112 HydrophobicContact CE1-CD1 3.93Å; F76-L112 HydrophobicContact CE1-CG 4.43Å; F76-L112 HydrophobicContact CE2-CB 4.42Å; F76-L112 HydrophobicContact CE2-CD1 3.79Å; F76-L112 HydrophobicContact CE2-CG 3.59Å; F76-L112 HydrophobicContact CG-CG 4.31Å; F76-L112 HydrophobicContact CZ-CD1 3.55Å; F76-L112 HydrophobicContact CZ-CG 3.92Å; L112-T114 HydrophobicContact CD2-CG2 3.81Å; L112-D228 VanDerWaalsContact CD1-O 3.29Å; L112-D228 WeakPolarHBondContact CD1-O 3.45Å; L112-L229 HydrophobicContact CD2-CD2 4.43Å; L112-V237 HydrophobicContact CB-CG1 4.48Å; L112-V237 HydrophobicContact CB-CG2 4.3Å; L112-M239 PolarHBondContact N-O 3.43Å; L112-V240 CarbonylContact O-C 3.57Å; L112-V240 VanDerWaalsContact O-CA 3.29Å; L112-V240 WeakPolarHBondContact O-CA 3.27Å; L112-F241 PolarHBondContact O-N 3.03Å
113	D	98.8	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.5	173.1	-165.7	-52.7	0	0	0	109.6	R73 L74 F76 F241 S243 K270	R73-D113 HydrophobicContact CG-CB 4.18Å; R73-D113 IonicContact CZ-OD2 2.6Å; R73-D113 IonicContact NE-OD2 2.81Å; R73-D113 PolarHBondContact NE-OD2 3.16Å; R73-D113 IonicContact NH2-OD1 3.28Å; R73-D113 IonicContact NH2-OD2 3.43Å; R73-D113 PolarHBondContact NH2-OD2 3.31Å; L74-D113 WeakPolarHBondContact O-CB 3.39Å; L74-D113 PolarHBondContact O-N 3.04Å; F76-D113 WeakPolarHBondContact CB-O 3.36Å; F76-D113 PolarHBondContact N-O 3.3Å; D113-F241 WeakPolarHBondContact CA-O 3.46Å; D113-F241 HydrophobicContact CB-CB 4.03Å; D113-F241 HydrophobicContact CB-CD2 4.19Å; D113-S243 PolarHBondContact OD1-OG 3.36Å; D113-K270 IonicContact OD1-NZ 2.66Å; D113-K270 PolarHBondContact OD1-NZ 2.72Å; D113-K270 IonicContact OD2-NZ 3.71Å
114	T	97.9	Very high	95.8	Very high	6 Å²	6	17 Å²	17	4%	0.037	8%	0.082	C	C	.	.			trans	-67.4	150.7	-173.9	55.2	0	0	0	0	111.3	L112 L229 V240 F241 A242 S243	L112-T114 HydrophobicContact CD2-CG2 3.81Å; T114-L229 HydrophobicContact CG2-CD2 4.03Å; T114-V240 HydrophobicContact CG2-CG1 3.94Å; T114-F241 PolarHBondContact N-O 3.18Å; T114-F241 PolarHBondContact OG1-O 2.85Å; T114-A242 WeakPolarHBondContact OG1-CA 3.37Å; T114-S243 PolarHBondContact O-OG 3.04Å; T114-S243 PolarHBondContact OG1-N 3.48Å; T114-S243 PolarHBondContact OG1-OG 3.17Å
115	K	93.2	Very high	95.4	Very high	38 Å²	38	17.8 Å²	17.8	17%	0.165	8%	0.082	C	C	.	.			trans	-63.2	-48.8	169.2	-180	-177.8	168	64.5	0	110.7	E118 K224 D225	K115-E118 HydrophobicContact CG-CG 4.42Å; K115-E118 IonicContact NZ-OE2 2.95Å; K115-E118 PolarHBondContact NZ-OE2 2.79Å; K115-E118 WeakPolarHBondContact O-CG 3.29Å; K115-K224 HydrophobicContact CD-CD 4.45Å; K115-D225 PolarHBondContact N-OD1 3.08Å
116	G	90.3	Very high	94.6	Very high	4 Å²	4	21 Å²	21	4%	0.041	12%	0.121	C	C	.	.			trans	67.6	-168.1	-177.1	0	0	0	0	0	113.7	E118 D225	G116-E118 PolarHBondContact O-N 3.42Å; G116-D225 PolarHBondContact N-OD1 2.82Å
117	P	89.8	Confident	93.3	Very high	18 Å²	18	21.5 Å²	21.5	12%	0.117	13%	0.133	C	C	.	.	S	Bend	trans	-76.6	49.4	-175.2	32.4	-37.6	0	0	0	113.7	L218 P219 F244	P117-L218 HydrophobicContact CB-CB 3.48Å; P117-L218 VanDerWaalsContact CB-CB 3.48Å; P117-L218 HydrophobicContact CB-CD1 4Å; P117-L218 HydrophobicContact CB-CG 4.38Å; P117-L218 WeakPolarHBondContact O-CD1 3.48Å; P117-P219 WeakPolarHBondContact CB-O 3.37Å; P117-F244 HydrophobicContact CG-CB 3.57Å; P117-F244 HydrophobicContact CG-CD2 4.19Å; P117-F244 HydrophobicContact CG-CG 4.05Å
118	E	87.3	Confident	91.9	Very high	33 Å²	33	23.3 Å²	23.3	15%	0.154	15%	0.151	C	C	.	.			trans	-66	139.7	173.3	-71.6	178.9	169.6	0	0	111.2	S77 K115 G116 R120 F244	S77-E118 WeakPolarHBondContact CB-OE1 3.47Å; S77-E118 PolarHBondContact OG-OE1 3.37Å; K115-E118 HydrophobicContact CG-CG 4.42Å; K115-E118 IonicContact NZ-OE2 2.95Å; K115-E118 PolarHBondContact NZ-OE2 2.79Å; K115-E118 WeakPolarHBondContact O-CG 3.29Å; G116-E118 PolarHBondContact O-N 3.42Å; E118-R120 HydrophobicContact CB-CG 4.49Å; E118-R120 IonicContact OE1-NH2 3.81Å; E118-R120 PolarHBondContact OE1-NH2 2.91Å; E118-R120 IonicContact OE2-CZ 3.35Å; E118-R120 VanDerWaalsContact OE2-CZ 3.26Å; E118-R120 IonicContact OE2-NE 2.73Å; E118-R120 PolarHBondContact OE2-NE 2.88Å; E118-R120 IonicContact OE2-NH2 2.81Å; E118-R120 PolarHBondContact OE2-NH2 3Å; E118-F244 HydrophobicContact CG-CE2 4.05Å
119	I	93.6	Very high	91	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.046	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.7	166.2	-51.4	172.2	0	0	0	107.5	L159 D160 Y161 G208 V209 L211 L218	I119-L159 HydrophobicContact CG2-CB 4.46Å; I119-L159 HydrophobicContact CG2-CD1 4.39Å; I119-D160 WeakPolarHBondContact CA-OD1 3.48Å; I119-Y161 HydrophobicContact CD1-CD1 3.55Å; I119-Y161 HydrophobicContact CD1-CE1 4.21Å; I119-Y161 HydrophobicContact CD1-CG 3.99Å; I119-Y161 HydrophobicContact CG1-CD1 4.27Å; I119-Y161 HydrophobicContact CG1-CG 4.2Å; I119-G208 CarbonylContact O-C 3.59Å; I119-G208 WeakPolarHBondContact O-CA 3.16Å; I119-V209 HydrophobicContact CB-CB 3.95Å; I119-V209 HydrophobicContact CG2-CB 3.77Å; I119-V209 HydrophobicContact CG2-CG1 4.26Å; I119-V209 HydrophobicContact CG2-CG2 4.29Å; I119-V209 PolarHBondContact O-N 3.12Å; I119-L211 HydrophobicContact CD1-CD1 3.55Å; I119-L211 HydrophobicContact CD1-CG 4.02Å; I119-L218 HydrophobicContact CG1-CD1 3.93Å
120	R	94.4	Very high	90.3	Very high	47 Å²	47	30.5 Å²	30.5	18%	0.177	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.1	-178.1	-64.4	-73.6	-173.8	169.5	-10.4	112	E118 L159 D160 K206 K207	E118-R120 HydrophobicContact CB-CG 4.49Å; E118-R120 IonicContact OE1-NH2 3.81Å; E118-R120 PolarHBondContact OE1-NH2 2.91Å; E118-R120 IonicContact OE2-CZ 3.35Å; E118-R120 VanDerWaalsContact OE2-CZ 3.26Å; E118-R120 IonicContact OE2-NE 2.73Å; E118-R120 PolarHBondContact OE2-NE 2.88Å; E118-R120 IonicContact OE2-NH2 2.81Å; E118-R120 PolarHBondContact OE2-NH2 3Å; R120-L159 WeakPolarHBondContact O-CA 3.49Å; R120-D160 WeakPolarHBondContact CB-OD2 3.39Å; R120-D160 PolarHBondContact N-OD1 2.95Å; R120-D160 PolarHBondContact N-OD2 2.87Å; R120-D160 PolarHBondContact O-N 2.9Å; R120-K206 WeakPolarHBondContact CD-O 3.19Å; R120-K206 PolarHBondContact NH1-O 2.67Å; R120-K207 WeakPolarHBondContact CA-O 3.35Å
121	T	96.1	Very high	90	Very high	2 Å²	2	36 Å²	36	1%	0.012	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-76	167.9	170.3	66	0	0	0	0	112.3	L157 W158 V176 K206 K207 V209	T121-L157 HydrophobicContact CG2-CD1 3.84Å; T121-L157 HydrophobicContact CG2-CD2 3.96Å; T121-L157 HydrophobicContact CG2-CG 4.15Å; T121-W158 CarbonylContact C-O 3.57Å; T121-W158 WeakPolarHBondContact CA-O 3.48Å; T121-V176 HydrophobicContact CG2-CG1 3.91Å; T121-K206 WeakPolarHBondContact O-CA 3.5Å; T121-K206 PolarHBondContact OG1-N 3.26Å; T121-K207 PolarHBondContact N-O 2.89Å; T121-K207 PolarHBondContact OG1-N 3.38Å; T121-V209 HydrophobicContact CG2-CG2 3.7Å
122	G	94.4	Very high	89.7	Confident	3 Å²	3	36.7 Å²	36.7	3%	0.031	23%	0.229	C	C	.	.			trans	-76.9	-166.9	175.3	0	0	0	0	0	114.3	M149 W158 S205 K206	G122-M149 CarbonylContact C-O 3.58Å; G122-M149 WeakPolarHBondContact CA-O 3.36Å; G122-W158 PolarHBondContact N-O 3.17Å; G122-S205 WeakPolarHBondContact O-CA 3.43Å; G122-K206 PolarHBondContact O-N 2.93Å
123	L	94.8	Very high	89.6	Confident	39 Å²	39	43 Å²	43	20%	0.204	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-86.8	139.6	168.8	-56.6	176.3	0	0	0	110.4	M149 E150 K151 C152 K206	L123-M149 PolarHBondContact N-O 3.46Å; L123-E150 HydrophobicContact CB-CB 4.3Å; L123-E150 HydrophobicContact CD1-CB 4.35Å; L123-E150 HydrophobicContact CD1-CG 3.94Å; L123-E150 HydrophobicContact CG-CG 4.4Å; L123-E150 CarbonylContact O-C 3.39Å; L123-K151 PolarHBondContact O-N 3.18Å; L123-C152 VanDerWaalsContact O-CB 3.3Å; L123-C152 WeakPolarHBondContact O-CB 3.45Å; L123-C152 PolarHBondContact O-N 3.25Å; L123-K206 HydrophobicContact CD2-CD 4.09Å; L123-K206 HydrophobicContact CD2-CG 4.08Å
124	I	94.1	Very high	89.6	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.015	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-65.7	140.4	170.8	-60.2	-54.9	0	0	0	110.1	A130 V132 C152 L203 S205	I124-A130 WeakPolarHBondContact CB-O 3.33Å; I124-A130 WeakPolarHBondContact CG1-O 3.19Å; I124-A130 HydrophobicContact CG2-CB 4.01Å; I124-V132 HydrophobicContact CD1-CG2 3.87Å; I124-V132 HydrophobicContact CG2-CG1 3.72Å; I124-C152 CarbonylContact C-O 3.58Å; I124-C152 VanDerWaalsContact CA-O 3.32Å; I124-C152 WeakPolarHBondContact CA-O 3.29Å; I124-C152 HydrophobicContact CD1-CB 3.97Å; I124-L203 HydrophobicContact CD1-CG 4.41Å; I124-S205 PolarHBondContact N-OG 3.23Å
125	K	88.4	Confident	89.5	Confident	88 Å²	88	49.4 Å²	49.4	38%	0.383	29%	0.286	S	S	.	.	S	Bend	trans	-53.1	138.6	179.1	67.4	-179.9	171.2	-157.2	0	111.5	C152 D153 E154	K125-C152 PolarHBondContact N-O 2.94Å; K125-D153 HydrophobicContact CD-CB 3.63Å; K125-D153 VanDerWaalsContact CE-CB 3.46Å; K125-D153 HydrophobicContact CG-CB 4.06Å; K125-D153 IonicContact NZ-OD2 2.77Å; K125-D153 PolarHBondContact NZ-OD2 2.96Å; K125-E154 IonicContact NZ-OE1 3.28Å; K125-E154 IonicContact NZ-OE2 3.46Å; K125-E154 PolarHBondContact NZ-OE2 3.31Å; K125-E154 VanDerWaalsContact NZ-OE2 3.12Å
126	G	82.6	Confident	89.8	Confident	85 Å²	85	55.4 Å²	55.4	88%	0.876	31%	0.312	S	S	*	.	S	Bend	trans	99.1	-118.4	-178.2	0	0	0	0	0	111.7
127	S	69.3	Low	90.1	Very high	63 Å²	63	57.3 Å²	57.3	44%	0.441	33%	0.332	S	S	.	.	S	Bend	trans	-89.9	143.4	170.6	66.7	0	0	0	0	109.9	T129 A130	S127-T129 PolarHBondContact O-N 2.91Å; S127-T129 PolarHBondContact OG-OG1 2.99Å; S127-A130 WeakPolarHBondContact O-CB 3.32Å; S127-A130 PolarHBondContact O-N 3.08Å
128	G	71.3	Confident	90.5	Very high	40 Å²	40	58.4 Å²	58.4	41%	0.412	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-3.1	176	0	0	0	0	0	115	S205	G128-S205 WeakPolarHBondContact O-CB 3.39Å; G128-S205 PolarHBondContact O-OG 3.28Å
129	T	79.3	Confident	91.1	Very high	124 Å²	124	61.1 Å²	61.1	76%	0.761	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-5.9	176.5	62.1	0	0	0	0	114	S127	S127-T129 PolarHBondContact O-N 2.91Å; S127-T129 PolarHBondContact OG-OG1 2.99Å
130	A	85	Confident	91.3	Very high	34 Å²	34	60.7 Å²	60.7	28%	0.281	36%	0.359	S	S	.	.			trans	-71.4	155.6	175.5	0	0	0	0	0	110.8	I124 S127	I124-A130 WeakPolarHBondContact CB-O 3.33Å; I124-A130 WeakPolarHBondContact CG1-O 3.19Å; I124-A130 HydrophobicContact CG2-CB 4.01Å; S127-A130 WeakPolarHBondContact O-CB 3.32Å; S127-A130 PolarHBondContact O-N 3.08Å
131	E	91	Very high	91.5	Very high	120 Å²	120	62.2 Å²	62.2	56%	0.561	37%	0.366	S	S	*	.			trans	-124.1	152.5	173.9	-57.9	-172.7	165.5	0	0	109.5	S202 L203	E131-S202 WeakPolarHBondContact CB-OG 3Å; E131-S202 WeakPolarHBondContact OE2-CB 3.34Å; E131-S202 PolarHBondContact OE2-OG 3.2Å; E131-L203 CarbonylContact C-O 3.45Å; E131-L203 VanDerWaalsContact CA-O 3.27Å; E131-L203 WeakPolarHBondContact CA-O 3.32Å
132	V	93.7	Very high	91.6	Very high	14 Å²	14	62.2 Å²	62.2	9%	0.085	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.6	174.3	-66.4	0	0	0	0	110.6	I124 D153 E154 L203	I124-V132 HydrophobicContact CD1-CG2 3.87Å; I124-V132 HydrophobicContact CG2-CG1 3.72Å; V132-D153 HydrophobicContact CG1-CB 4.48Å; V132-E154 HydrophobicContact CB-CB 4.42Å; V132-L203 HydrophobicContact CG2-CB 4Å; V132-L203 HydrophobicContact CG2-CD2 4.32Å; V132-L203 HydrophobicContact CG2-CG 4.45Å; V132-L203 PolarHBondContact N-O 3.17Å; V132-L203 PolarHBondContact O-N 3.49Å
133	E	96.8	Very high	91.8	Very high	134 Å²	134	62.3 Å²	62.3	63%	0.626	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	116.6	178.1	-169.9	-175.7	-176.6	0	0	110.4
134	L	97.5	Very high	91.9	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	122	170.5	-62.4	-175.3	0	0	0	109.6	L140 E154 I181 V197 G200 G201 L203	L134-L140 HydrophobicContact CD1-CD2 3.87Å; L134-L140 HydrophobicContact CD2-CD1 4.18Å; L134-L140 HydrophobicContact CD2-CD2 4.3Å; L134-E154 HydrophobicContact CD2-CB 4.27Å; L134-I181 HydrophobicContact CD1-CD1 4.33Å; L134-I181 HydrophobicContact CD1-CG2 3.97Å; L134-V197 HydrophobicContact CB-CG1 4.25Å; L134-V197 HydrophobicContact CB-CG2 4.31Å; L134-G200 CarbonylContact O-C 3.57Å; L134-G200 WeakPolarHBondContact O-CA 3.32Å; L134-G201 PolarHBondContact N-O 3.45Å; L134-G201 PolarHBondContact O-N 3Å; L134-L203 HydrophobicContact CD1-CB 4.33Å; L134-L203 HydrophobicContact CD1-CD2 4.01Å; L134-L203 HydrophobicContact CG-CB 4.36Å
135	K	97.5	Very high	92	Very high	133 Å²	133	64.9 Å²	64.9	58%	0.578	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-96.4	138.5	-178.1	-64	-179.3	179.4	176.7	0	111.1	G137 A138 V197	K135-G137 PolarHBondContact O-N 3.24Å; K135-A138 HydrophobicContact CB-CB 4.36Å; K135-A138 WeakPolarHBondContact O-CB 3.3Å; K135-A138 PolarHBondContact O-N 2.64Å; K135-V197 WeakPolarHBondContact O-CB 3.44Å
136	K	97.9	Very high	92.4	Very high	165 Å²	165	64.9 Å²	64.9	72%	0.717	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	134.7	175.2	176.8	169.4	-176.8	173	0	111.4	A138 V197 E198	K136-A138 PolarHBondContact O-N 2.99Å; K136-V197 WeakPolarHBondContact CA-O 3.46Å; K136-E198 WeakPolarHBondContact CD-O 3.49Å; K136-E198 WeakPolarHBondContact CG-O 3.33Å
137	G	97.8	Very high	93.1	Very high	44 Å²	44	63.4 Å²	63.4	45%	0.454	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-7.9	-176.6	0	0	0	0	0	114.6	K135 V197	K135-G137 PolarHBondContact O-N 3.24Å; G137-V197 PolarHBondContact N-O 3.37Å
138	A	98.3	Very high	94.4	Very high	40 Å²	40	64.5 Å²	64.5	33%	0.331	36%	0.359	S	S	.	.			trans	-69.6	153.9	173.3	0	0	0	0	0	110.8	K135 K136 E196 V197	K135-A138 HydrophobicContact CB-CB 4.36Å; K135-A138 WeakPolarHBondContact O-CB 3.3Å; K135-A138 PolarHBondContact O-N 2.64Å; K136-A138 PolarHBondContact O-N 2.99Å; A138-E196 WeakPolarHBondContact O-CA 3.48Å; A138-V197 HydrophobicContact CB-CG2 4.47Å; A138-V197 WeakPolarHBondContact O-CG2 3.4Å; A138-V197 PolarHBondContact O-N 2.93Å
139	T	98.6	Very high	95.5	Very high	90 Å²	90	66.1 Å²	66.1	55%	0.552	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.6	173.8	-61.5	0	0	0	0	109.9	V194 T195	T139-V194 HydrophobicContact CG2-CG1 3.39Å; T139-T195 CarbonylContact C-O 3.52Å; T139-T195 VanDerWaalsContact CA-O 3.32Å; T139-T195 WeakPolarHBondContact CA-O 3.4Å
140	L	98.7	Very high	96.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.9	173.3	179.7	69.3	0	0	0	109.6	L134 E154 L157 L183 T195 V197	L134-L140 HydrophobicContact CD1-CD2 3.87Å; L134-L140 HydrophobicContact CD2-CD1 4.18Å; L134-L140 HydrophobicContact CD2-CD2 4.3Å; L140-E154 WeakPolarHBondContact CD1-O 3.21Å; L140-L157 HydrophobicContact CD1-CB 4.19Å; L140-L157 HydrophobicContact CD2-CB 4.11Å; L140-L157 HydrophobicContact CD2-CD2 4.05Å; L140-L157 HydrophobicContact CG-CB 4.28Å; L140-L183 HydrophobicContact CD2-CD1 3.8Å; L140-L183 HydrophobicContact CD2-CD2 4.04Å; L140-T195 PolarHBondContact N-O 3.14Å; L140-T195 PolarHBondContact O-N 2.97Å; L140-T195 PolarHBondContact O-OG1 2.88Å; L140-V197 HydrophobicContact CB-CG2 4.29Å
141	K	98.6	Very high	96.8	Very high	79 Å²	79	70.9 Å²	70.9	34%	0.343	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.8	174.9	-175.4	-179	179.7	-176.6	0	110	N155 I156 L157 F192 L193	K141-N155 PolarHBondContact N-O 3.18Å; K141-I156 HydrophobicContact CB-CG1 4.37Å; K141-I156 CarbonylContact O-C 3.52Å; K141-I156 VanDerWaalsContact O-CA 3.28Å; K141-I156 WeakPolarHBondContact O-CA 3.45Å; K141-L157 PolarHBondContact O-N 3.35Å; K141-F192 HydrophobicContact CD-CD2 4.49Å; K141-F192 HydrophobicContact CG-CD2 4.4Å; K141-L193 CarbonylContact C-O 3.53Å; K141-L193 WeakPolarHBondContact CA-O 3.43Å
142	I	98.6	Very high	97	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.8	167.9	-68.4	174.3	0	0	0	108.9	L157 L159 I174 L183 F192 L193 T195	I142-L157 CarbonylContact C-O 3.58Å; I142-L157 VanDerWaalsContact CA-O 3.25Å; I142-L157 WeakPolarHBondContact CA-O 3.46Å; I142-L159 HydrophobicContact CD1-CD2 4.42Å; I142-L159 HydrophobicContact CG2-CD2 3.3Å; I142-L159 HydrophobicContact CG2-CG 3.88Å; I142-I174 HydrophobicContact CD1-CD1 3.55Å; I142-I174 HydrophobicContact CD1-CG2 4.35Å; I142-L183 HydrophobicContact CD1-CD1 4.03Å; I142-F192 CarbonylContact O-C 3.57Å; I142-F192 WeakPolarHBondContact O-CA 3.49Å; I142-F192 VanDerWaalsContact O-CB 3.25Å; I142-F192 WeakPolarHBondContact O-CB 3.29Å; I142-L193 HydrophobicContact CB-CB 4.19Å; I142-L193 PolarHBondContact N-O 3.12Å; I142-L193 PolarHBondContact O-N 2.83Å; I142-T195 HydrophobicContact CD1-CG2 3.88Å; I142-T195 HydrophobicContact CG1-CG2 4.31Å
143	T	98.1	Very high	97.2	Very high	6 Å²	6	65.7 Å²	65.7	4%	0.037	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.4	-179.1	-171.8	0	0	0	0	112.5	D145 Y148 I156 L157 W158 L159	T143-D145 WeakPolarHBondContact OG1-CB 3.29Å; T143-D145 PolarHBondContact OG1-N 2.87Å; T143-Y148 HydrophobicContact CG2-CD2 4.12Å; T143-Y148 HydrophobicContact CG2-CG 4.09Å; T143-I156 HydrophobicContact CG2-CG2 3.51Å; T143-L157 PolarHBondContact N-O 3.4Å; T143-W158 HydrophobicContact CG2-CB 4.17Å; T143-W158 WeakPolarHBondContact O-CA 3.49Å; T143-L159 PolarHBondContact O-N 3.39Å
144	L	96.9	Very high	97.1	Very high	22 Å²	22	63 Å²	63	12%	0.115	33%	0.325	C	S	.	.			trans	-100.9	-5.9	171.5	-60.4	178.9	0	0	0	113.2	N146 W158 L159 Y161 K162 I164 D191	L144-N146 PolarHBondContact O-N 3.22Å; L144-N146 PolarHBondContact O-OD1 3Å; L144-W158 PolarHBondContact O-NE1 2.9Å; L144-L159 HydrophobicContact CD2-CD1 3.52Å; L144-L159 HydrophobicContact CD2-CG 4.25Å; L144-Y161 WeakPolarHBondContact CD2-O 3.33Å; L144-K162 HydrophobicContact CB-CD 4.42Å; L144-K162 VanDerWaalsContact CD1-O 3.23Å; L144-K162 WeakPolarHBondContact CD1-O 3.39Å; L144-K162 HydrophobicContact CD2-CD 4.44Å; L144-K162 PolarHBondContact O-NZ 2.71Å; L144-I164 HydrophobicContact CD1-CG2 4.28Å; L144-I164 HydrophobicContact CD2-CG2 3.92Å; L144-I164 HydrophobicContact CG-CG2 4.38Å; L144-D191 WeakPolarHBondContact CG-O 3.37Å; L144-D191 PolarHBondContact N-O 3.12Å
145	D	97.2	Very high	97.2	Very high	73 Å²	73	66.9 Å²	66.9	39%	0.39	35%	0.346	S	S	.	.			trans	-67.7	113.8	-179.4	-179.7	1.1	0	0	0	111	T143 A147 Y148	T143-D145 WeakPolarHBondContact OG1-CB 3.29Å; T143-D145 PolarHBondContact OG1-N 2.87Å; D145-A147 PolarHBondContact O-N 2.75Å; D145-A147 VanDerWaalsContact OD1-CB 3.28Å; D145-A147 WeakPolarHBondContact OD1-CB 3.48Å; D145-A147 PolarHBondContact OD1-N 2.69Å; D145-Y148 HydrophobicContact CB-CD2 4.13Å; D145-Y148 PolarHBondContact O-N 3Å
146	N	96.6	Very high	97.2	Very high	89 Å²	89	62.4 Å²	62.4	48%	0.476	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-61.4	-14.5	-178.5	-69.8	-10	0	0	0	113.3	L144 Y148 M149 W158 K162	L144-N146 PolarHBondContact O-N 3.22Å; L144-N146 PolarHBondContact O-OD1 3Å; N146-Y148 PolarHBondContact O-N 2.8Å; N146-Y148 VanDerWaalsContact O-N 3.15Å; N146-M149 HydrophobicContact CB-CE 4.25Å; N146-M149 VanDerWaalsContact O-CB 3.3Å; N146-M149 WeakPolarHBondContact O-CB 3.49Å; N146-M149 PolarHBondContact O-N 3.4Å; N146-M149 VanDerWaalsContact O-N 3.15Å; N146-W158 PolarHBondContact OD1-NE1 2.87Å; N146-W158 VanDerWaalsContact OD1-NE1 3.12Å; N146-K162 PolarHBondContact OD1-NZ 2.83Å
147	A	96.4	Very high	97.2	Very high	53 Å²	53	54.6 Å²	54.6	44%	0.438	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-58	-23.2	169.7	0	0	0	0	0	113.2	D145 K151	D145-A147 PolarHBondContact O-N 2.75Å; D145-A147 VanDerWaalsContact OD1-CB 3.28Å; D145-A147 WeakPolarHBondContact OD1-CB 3.48Å; D145-A147 PolarHBondContact OD1-N 2.69Å; A147-K151 WeakPolarHBondContact O-CD 3.48Å
148	Y	96.3	Very high	97.2	Very high	87 Å²	87	53.5 Å²	53.5	34%	0.341	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-104	1.5	179.7	-65.3	-86.5	0	0	0	114.3	T143 D145 N146 E150 K151 C152 I156	T143-Y148 HydrophobicContact CG2-CD2 4.12Å; T143-Y148 HydrophobicContact CG2-CG 4.09Å; D145-Y148 HydrophobicContact CB-CD2 4.13Å; D145-Y148 PolarHBondContact O-N 3Å; N146-Y148 PolarHBondContact O-N 2.8Å; N146-Y148 VanDerWaalsContact O-N 3.15Å; Y148-E150 PolarHBondContact O-N 2.98Å; Y148-E150 VanDerWaalsContact O-N 3.07Å; Y148-K151 HydrophobicContact CD1-CB 4.42Å; Y148-K151 CarbonylContact O-C 3.51Å; Y148-K151 PolarHBondContact O-N 3.01Å; Y148-C152 PolarHBondContact O-N 2.9Å; Y148-I156 HydrophobicContact CD1-CB 4.43Å; Y148-I156 HydrophobicContact CD1-CD1 4.27Å; Y148-I156 HydrophobicContact CD1-CG2 3.85Å; Y148-I156 HydrophobicContact CE1-CD1 3.68Å; Y148-I156 HydrophobicContact CE1-CG2 4.31Å; Y148-I156 HydrophobicContact CG-CG2 4.04Å
149	M	95.3	Very high	97.1	Very high	74 Å²	74	51.6 Å²	51.6	37%	0.365	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.9	-178.2	176.9	168.9	38.8	0	0	113.1	G122 L123 N146 W158	G122-M149 CarbonylContact C-O 3.58Å; G122-M149 WeakPolarHBondContact CA-O 3.36Å; L123-M149 PolarHBondContact N-O 3.46Å; N146-M149 HydrophobicContact CB-CE 4.25Å; N146-M149 VanDerWaalsContact O-CB 3.3Å; N146-M149 WeakPolarHBondContact O-CB 3.49Å; N146-M149 PolarHBondContact O-N 3.4Å; N146-M149 VanDerWaalsContact O-N 3.15Å; M149-W158 HydrophobicContact CB-CD2 3.94Å; M149-W158 HydrophobicContact CB-CE3 4.36Å; M149-W158 HydrophobicContact CB-CG 4.24Å; M149-W158 HydrophobicContact CB-CZ2 4.24Å; M149-W158 HydrophobicContact CG-CD2 4.13Å; M149-W158 HydrophobicContact CG-CE3 4.1Å; M149-W158 HydrophobicContact CG-CH2 3.91Å; M149-W158 HydrophobicContact CG-CZ2 3.96Å; M149-W158 HydrophobicContact CG-CZ3 4Å; M149-W158 HydrophobicContact SD-CH2 3.88Å; M149-W158 HydrophobicContact SD-CZ2 3.87Å
150	E	95.1	Very high	96.9	Very high	130 Å²	130	50.1 Å²	50.1	61%	0.607	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118	20.1	176.7	-52.7	-172.4	166.1	0	0	113.4	L123 Y148	L123-E150 HydrophobicContact CB-CB 4.3Å; L123-E150 HydrophobicContact CD1-CB 4.35Å; L123-E150 HydrophobicContact CD1-CG 3.94Å; L123-E150 HydrophobicContact CG-CG 4.4Å; L123-E150 CarbonylContact O-C 3.39Å; Y148-E150 PolarHBondContact O-N 2.98Å; Y148-E150 VanDerWaalsContact O-N 3.07Å
151	K	95.6	Very high	96.8	Very high	128 Å²	128	50.3 Å²	50.3	56%	0.557	25%	0.25	S	S	*	.			trans	-133.5	33.3	-177.4	-54.7	179.4	-173.5	166.3	0	111.3	L123 A147 Y148	L123-K151 PolarHBondContact O-N 3.18Å; A147-K151 WeakPolarHBondContact O-CD 3.48Å; Y148-K151 HydrophobicContact CD1-CB 4.42Å; Y148-K151 CarbonylContact O-C 3.51Å; Y148-K151 PolarHBondContact O-N 3.01Å
152	C	96.7	Very high	96.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-68.1	142.8	175.7	-63.5	0	0	0	0	110	L123 I124 K125 Y148 I156 L157 W158	L123-C152 VanDerWaalsContact O-CB 3.3Å; L123-C152 WeakPolarHBondContact O-CB 3.45Å; L123-C152 PolarHBondContact O-N 3.25Å; I124-C152 CarbonylContact C-O 3.58Å; I124-C152 VanDerWaalsContact CA-O 3.32Å; I124-C152 WeakPolarHBondContact CA-O 3.29Å; I124-C152 HydrophobicContact CD1-CB 3.97Å; K125-C152 PolarHBondContact N-O 2.94Å; Y148-C152 PolarHBondContact O-N 2.9Å; C152-I156 CarbonylContact C-O 3.57Å; C152-I156 VanDerWaalsContact CA-O 3.32Å; C152-I156 WeakPolarHBondContact CA-O 3.05Å; C152-L157 HydrophobicContact CB-CD1 4.07Å; C152-W158 PolarHBondContact SG-N 3.41Å
153	D	96.2	Very high	96.4	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.128	26%	0.262	C	S	.	.			trans	-154.6	-167.6	176.5	74.4	8.6	0	0	0	112.3	K125 V132 N155 I156	K125-D153 HydrophobicContact CD-CB 3.63Å; K125-D153 VanDerWaalsContact CE-CB 3.46Å; K125-D153 HydrophobicContact CG-CB 4.06Å; K125-D153 IonicContact NZ-OD2 2.77Å; K125-D153 PolarHBondContact NZ-OD2 2.96Å; V132-D153 HydrophobicContact CG1-CB 4.48Å; D153-N155 PolarHBondContact O-N 3.12Å; D153-N155 WeakPolarHBondContact OD1-CA 3.24Å; D153-N155 WeakPolarHBondContact OD1-CB 3.49Å; D153-N155 PolarHBondContact OD1-N 2.94Å; D153-I156 PolarHBondContact N-O 2.97Å; D153-I156 PolarHBondContact OD1-N 3.14Å
154	E	96.4	Very high	96.3	Very high	77 Å²	77	52.4 Å²	52.4	36%	0.36	26%	0.26	S	S	.	.	S	Bend	trans	-66.3	-13.5	-178.7	70.1	-80.9	-169.4	0	0	114.5	K125 V132 L134 L140	K125-E154 IonicContact NZ-OE1 3.28Å; K125-E154 IonicContact NZ-OE2 3.46Å; K125-E154 PolarHBondContact NZ-OE2 3.31Å; K125-E154 VanDerWaalsContact NZ-OE2 3.12Å; V132-E154 HydrophobicContact CB-CB 4.42Å; L134-E154 HydrophobicContact CD2-CB 4.27Å; L140-E154 WeakPolarHBondContact CD1-O 3.21Å
155	N	97.8	Very high	96.3	Very high	89 Å²	89	52 Å²	52	48%	0.476	26%	0.259	S	S	.	.	S	Bend	trans	-108.3	-34.3	-178.5	-54.3	-73.1	0	0	0	112.4	K141 D153	K141-N155 PolarHBondContact N-O 3.18Å; D153-N155 PolarHBondContact O-N 3.12Å; D153-N155 WeakPolarHBondContact OD1-CA 3.24Å; D153-N155 WeakPolarHBondContact OD1-CB 3.49Å; D153-N155 PolarHBondContact OD1-N 2.94Å
156	I	97.9	Very high	96.2	Very high	38 Å²	38	56 Å²	56	20%	0.195	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.8	-176.2	-58.7	172.2	0	0	0	111.2	K141 T143 Y148 C152 D153	K141-I156 HydrophobicContact CB-CG1 4.37Å; K141-I156 CarbonylContact O-C 3.52Å; K141-I156 VanDerWaalsContact O-CA 3.28Å; K141-I156 WeakPolarHBondContact O-CA 3.45Å; T143-I156 HydrophobicContact CG2-CG2 3.51Å; Y148-I156 HydrophobicContact CD1-CB 4.43Å; Y148-I156 HydrophobicContact CD1-CD1 4.27Å; Y148-I156 HydrophobicContact CD1-CG2 3.85Å; Y148-I156 HydrophobicContact CE1-CD1 3.68Å; Y148-I156 HydrophobicContact CE1-CG2 4.31Å; Y148-I156 HydrophobicContact CG-CG2 4.04Å; C152-I156 CarbonylContact C-O 3.57Å; C152-I156 VanDerWaalsContact CA-O 3.32Å; C152-I156 WeakPolarHBondContact CA-O 3.05Å; D153-I156 PolarHBondContact N-O 2.97Å; D153-I156 PolarHBondContact OD1-N 3.14Å
157	L	98.2	Very high	96.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.3	178.1	-175.6	60.3	0	0	0	110.9	T121 L140 K141 I142 T143 C152 L203	T121-L157 HydrophobicContact CG2-CD1 3.84Å; T121-L157 HydrophobicContact CG2-CD2 3.96Å; T121-L157 HydrophobicContact CG2-CG 4.15Å; L140-L157 HydrophobicContact CD1-CB 4.19Å; L140-L157 HydrophobicContact CD2-CB 4.11Å; L140-L157 HydrophobicContact CD2-CD2 4.05Å; L140-L157 HydrophobicContact CG-CB 4.28Å; K141-L157 PolarHBondContact O-N 3.35Å; I142-L157 CarbonylContact C-O 3.58Å; I142-L157 VanDerWaalsContact CA-O 3.25Å; I142-L157 WeakPolarHBondContact CA-O 3.46Å; T143-L157 PolarHBondContact N-O 3.4Å; C152-L157 HydrophobicContact CB-CD1 4.07Å; L157-L203 HydrophobicContact CD1-CD2 3.81Å; L157-L203 HydrophobicContact CD2-CD2 4.19Å
158	W	98.2	Very high	96	Very high	21 Å²	21	50.7 Å²	50.7	8%	0.08	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	147.3	170.9	179	92.6	0	0	0	111.4	T121 G122 T143 L144 N146 M149 C152 D160	T121-W158 CarbonylContact C-O 3.57Å; T121-W158 WeakPolarHBondContact CA-O 3.48Å; G122-W158 PolarHBondContact N-O 3.17Å; T143-W158 HydrophobicContact CG2-CB 4.17Å; T143-W158 WeakPolarHBondContact O-CA 3.49Å; L144-W158 PolarHBondContact O-NE1 2.9Å; N146-W158 PolarHBondContact OD1-NE1 2.87Å; N146-W158 VanDerWaalsContact OD1-NE1 3.12Å; M149-W158 HydrophobicContact CB-CD2 3.94Å; M149-W158 HydrophobicContact CB-CE3 4.36Å; M149-W158 HydrophobicContact CB-CG 4.24Å; M149-W158 HydrophobicContact CB-CZ2 4.24Å; M149-W158 HydrophobicContact CG-CD2 4.13Å; M149-W158 HydrophobicContact CG-CE3 4.1Å; M149-W158 HydrophobicContact CG-CH2 3.91Å; M149-W158 HydrophobicContact CG-CZ2 3.96Å; M149-W158 HydrophobicContact CG-CZ3 4Å; M149-W158 HydrophobicContact SD-CH2 3.88Å; M149-W158 HydrophobicContact SD-CZ2 3.87Å; C152-W158 PolarHBondContact SG-N 3.41Å; W158-D160 HydrophobicContact CH2-CB 3.56Å; W158-D160 HydrophobicContact CZ2-CB 4.32Å; W158-D160 HydrophobicContact CZ3-CB 3.93Å
159	L	96.4	Very high	96	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-140.5	158.9	169.3	59.6	85	0	0	0	113.1	I119 R120 I142 T143 L144 Y161 I164	I119-L159 HydrophobicContact CG2-CB 4.46Å; I119-L159 HydrophobicContact CG2-CD1 4.39Å; R120-L159 WeakPolarHBondContact O-CA 3.49Å; I142-L159 HydrophobicContact CD1-CD2 4.42Å; I142-L159 HydrophobicContact CG2-CD2 3.3Å; I142-L159 HydrophobicContact CG2-CG 3.88Å; T143-L159 PolarHBondContact O-N 3.39Å; L144-L159 HydrophobicContact CD2-CD1 3.52Å; L144-L159 HydrophobicContact CD2-CG 4.25Å; L159-Y161 WeakPolarHBondContact CD1-O 3.49Å; L159-I164 HydrophobicContact CD1-CB 4.21Å; L159-I164 HydrophobicContact CD1-CD1 4.03Å; L159-I164 HydrophobicContact CD1-CG2 4Å; L159-I164 HydrophobicContact CD2-CD1 3.58Å; L159-I164 HydrophobicContact CG-CD1 4.47Å
160	D	94.9	Very high	96.2	Very high	58 Å²	58	52.4 Å²	52.4	31%	0.31	25%	0.254	S	S	.	.	S	Bend	trans	-85.6	-13.5	-172	59.5	5	0	0	0	114.9	I119 R120 W158 K162	I119-D160 WeakPolarHBondContact CA-OD1 3.48Å; R120-D160 WeakPolarHBondContact CB-OD2 3.39Å; R120-D160 PolarHBondContact N-OD1 2.95Å; R120-D160 PolarHBondContact N-OD2 2.87Å; R120-D160 PolarHBondContact O-N 2.9Å; W158-D160 HydrophobicContact CH2-CB 3.56Å; W158-D160 HydrophobicContact CZ2-CB 4.32Å; W158-D160 HydrophobicContact CZ3-CB 3.93Å; D160-K162 PolarHBondContact O-N 3.36Å; D160-K162 VanDerWaalsContact O-N 3.16Å
161	Y	95.5	Very high	96.3	Very high	5 Å²	5	48 Å²	48	2%	0.02	24%	0.244	C	C	.	.			trans	-83.9	93.5	-180	179.1	-139.5	0	0	0	113.3	I119 L144 L159 N163 I164 V167 L211 V216 D217 L218	I119-Y161 HydrophobicContact CD1-CD1 3.55Å; I119-Y161 HydrophobicContact CD1-CE1 4.21Å; I119-Y161 HydrophobicContact CD1-CG 3.99Å; I119-Y161 HydrophobicContact CG1-CD1 4.27Å; I119-Y161 HydrophobicContact CG1-CG 4.2Å; L144-Y161 WeakPolarHBondContact CD2-O 3.33Å; L159-Y161 WeakPolarHBondContact CD1-O 3.49Å; Y161-N163 HydrophobicContact CD2-CB 4.28Å; Y161-N163 HydrophobicContact CE2-CB 3.58Å; Y161-N163 PolarHBondContact O-N 3.05Å; Y161-N163 VanDerWaalsContact O-N 3.1Å; Y161-I164 HydrophobicContact CD1-CB 3.6Å; Y161-I164 HydrophobicContact CD1-CG1 4.08Å; Y161-I164 HydrophobicContact CE1-CB 4.08Å; Y161-I164 HydrophobicContact CE1-CG1 4.46Å; Y161-I164 HydrophobicContact CG-CB 4.35Å; Y161-I164 WeakPolarHBondContact O-CB 3.44Å; Y161-I164 PolarHBondContact O-N 3.39Å; Y161-I164 VanDerWaalsContact O-N 3.12Å; Y161-V167 HydrophobicContact CE1-CG2 3.59Å; Y161-V167 WeakPolarHBondContact OH-CG1 3.35Å; Y161-L211 HydrophobicContact CD1-CD1 4.02Å; Y161-L211 HydrophobicContact CE1-CD1 3.97Å; Y161-V216 HydrophobicContact CE1-CG1 4.32Å; Y161-D217 PolarHBondContact OH-N 3.18Å; Y161-D217 PolarHBondContact OH-OD1 3.43Å; Y161-L218 HydrophobicContact CD2-CD1 4.02Å; Y161-L218 HydrophobicContact CD2-CD2 3.67Å; Y161-L218 HydrophobicContact CD2-CG 3.72Å; Y161-L218 HydrophobicContact CE2-CD1 4.39Å; Y161-L218 HydrophobicContact CE2-CD2 3.92Å; Y161-L218 HydrophobicContact CE2-CG 3.72Å; Y161-L218 HydrophobicContact CG-CD1 4.43Å
162	K	94.2	Very high	96.3	Very high	104 Å²	104	43.8 Å²	43.8	45%	0.452	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.6	-175.2	-57	-49.8	-176.5	-171	0	115	L144 N146 D160	L144-K162 HydrophobicContact CB-CD 4.42Å; L144-K162 VanDerWaalsContact CD1-O 3.23Å; L144-K162 WeakPolarHBondContact CD1-O 3.39Å; L144-K162 HydrophobicContact CD2-CD 4.44Å; L144-K162 PolarHBondContact O-NZ 2.71Å; N146-K162 PolarHBondContact OD1-NZ 2.83Å; D160-K162 PolarHBondContact O-N 3.36Å; D160-K162 VanDerWaalsContact O-N 3.16Å
163	N	95.1	Very high	96.3	Very high	27 Å²	27	47.8 Å²	47.8	14%	0.144	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.5	-178.9	-150.4	43.2	0	0	0	113.7	Y161 C165 K166 D217	Y161-N163 HydrophobicContact CD2-CB 4.28Å; Y161-N163 HydrophobicContact CE2-CB 3.58Å; Y161-N163 PolarHBondContact O-N 3.05Å; Y161-N163 VanDerWaalsContact O-N 3.1Å; N163-C165 VanDerWaalsContact C-N 3.26Å; N163-C165 PolarHBondContact O-N 3.1Å; N163-C165 VanDerWaalsContact O-N 3.16Å; N163-K166 PolarHBondContact O-N 3.49Å; N163-K166 WeakPolarHBondContact OD1-CD 3.49Å; N163-K166 WeakPolarHBondContact OD1-CE 3.48Å; N163-K166 WeakPolarHBondContact OD1-CG 3.44Å; N163-K166 PolarHBondContact OD1-NZ 3.12Å; N163-D217 PolarHBondContact ND2-OD1 2.85Å; N163-D217 VanDerWaalsContact ND2-OD1 3.08Å; N163-D217 PolarHBondContact ND2-OD2 2.77Å
164	I	96.3	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-52	-43.7	-176	-165.8	172.9	0	0	0	112.8	L144 L159 Y161 K166 V167 V168 I174 L193 L211	L144-I164 HydrophobicContact CD1-CG2 4.28Å; L144-I164 HydrophobicContact CD2-CG2 3.92Å; L144-I164 HydrophobicContact CG-CG2 4.38Å; L159-I164 HydrophobicContact CD1-CB 4.21Å; L159-I164 HydrophobicContact CD1-CD1 4.03Å; L159-I164 HydrophobicContact CD1-CG2 4Å; L159-I164 HydrophobicContact CD2-CD1 3.58Å; L159-I164 HydrophobicContact CG-CD1 4.47Å; Y161-I164 HydrophobicContact CD1-CB 3.6Å; Y161-I164 HydrophobicContact CD1-CG1 4.08Å; Y161-I164 HydrophobicContact CE1-CB 4.08Å; Y161-I164 HydrophobicContact CE1-CG1 4.46Å; Y161-I164 HydrophobicContact CG-CB 4.35Å; Y161-I164 WeakPolarHBondContact O-CB 3.44Å; Y161-I164 PolarHBondContact O-N 3.39Å; Y161-I164 VanDerWaalsContact O-N 3.12Å; I164-K166 PolarHBondContact O-N 3.1Å; I164-K166 VanDerWaalsContact O-N 3.13Å; I164-V167 WeakPolarHBondContact O-CG2 3.39Å; I164-V167 PolarHBondContact O-N 2.9Å; I164-V167 VanDerWaalsContact O-N 3.1Å; I164-V168 HydrophobicContact CG1-CG1 4.08Å; I164-V168 HydrophobicContact CG1-CG2 4.41Å; I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 2.71Å; I164-I174 HydrophobicContact CD1-CD1 4.29Å; I164-L193 HydrophobicContact CD1-CD1 4.14Å; I164-L193 HydrophobicContact CG1-CD1 4.27Å; I164-L193 HydrophobicContact CG2-CD1 4.45Å; I164-L211 HydrophobicContact CD1-CD1 4.19Å; I164-L211 HydrophobicContact CD1-CD2 4.09Å; I164-L211 HydrophobicContact CG1-CD1 3.92Å; I164-L211 HydrophobicContact CG1-CD2 4.49Å
165	C	95.7	Very high	96.4	Very high	12 Å²	12	45.6 Å²	45.6	8%	0.081	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-23.2	-176.2	-64.7	0	0	0	0	111.7	N163 K188	N163-C165 VanDerWaalsContact C-N 3.26Å; N163-C165 PolarHBondContact O-N 3.1Å; N163-C165 VanDerWaalsContact O-N 3.16Å; C165-K188 WeakPolarHBondContact O-CE 3.48Å; C165-K188 PolarHBondContact O-NZ 3.32Å
166	K	95.1	Very high	96.4	Very high	158 Å²	158	41.4 Å²	41.4	69%	0.687	21%	0.213	S	C	*	.	H	α-helix	trans	-81.7	-26.6	177.7	-61.4	-162.7	-162.6	133.9	0	113.6	N163 I164	N163-K166 PolarHBondContact O-N 3.49Å; N163-K166 WeakPolarHBondContact OD1-CD 3.49Å; N163-K166 WeakPolarHBondContact OD1-CE 3.48Å; N163-K166 WeakPolarHBondContact OD1-CG 3.44Å; N163-K166 PolarHBondContact OD1-NZ 3.12Å; I164-K166 PolarHBondContact O-N 3.1Å; I164-K166 VanDerWaalsContact O-N 3.13Å
167	V	94.5	Very high	96.1	Very high	28 Å²	28	40.7 Å²	40.7	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-102.7	-13.7	-170.3	-54.8	0	0	0	0	113.7	Y161 I164 L211 A214 A215	Y161-V167 HydrophobicContact CE1-CG2 3.59Å; Y161-V167 WeakPolarHBondContact OH-CG1 3.35Å; I164-V167 WeakPolarHBondContact O-CG2 3.39Å; I164-V167 PolarHBondContact O-N 2.9Å; I164-V167 VanDerWaalsContact O-N 3.1Å; V167-L211 HydrophobicContact CG2-CD1 4.31Å; V167-A214 HydrophobicContact CB-CB 4.36Å; V167-A214 HydrophobicContact CG2-CB 4.18Å; V167-A214 WeakPolarHBondContact O-CB 3.37Å; V167-A215 VanDerWaalsContact CG1-O 3.27Å; V167-A215 WeakPolarHBondContact CG1-O 3.44Å
168	V	95.6	Very high	95.5	Very high	2 Å²	2	46 Å²	46	1%	0.012	24%	0.238	C	C	.	.			trans	-107.8	152.3	173.8	-50.8	0	0	0	0	111.2	I164 V185 K188 L193 L211 A214	I164-V168 HydrophobicContact CG1-CG1 4.08Å; I164-V168 HydrophobicContact CG1-CG2 4.41Å; I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 2.71Å; V168-V185 HydrophobicContact CG2-CG2 4.36Å; V168-K188 PolarHBondContact O-NZ 3.06Å; V168-L193 HydrophobicContact CG2-CD1 3.61Å; V168-L193 HydrophobicContact CG2-CD2 3.94Å; V168-L193 HydrophobicContact CG2-CG 4.44Å; V168-L211 HydrophobicContact CG1-CD1 4.18Å; V168-L211 HydrophobicContact CG1-CD2 4.08Å; V168-A214 HydrophobicContact CG1-CB 4.37Å
169	E	96.4	Very high	95.2	Very high	107 Å²	107	46 Å²	46	50%	0.5	24%	0.244	S	C	.	.			trans	-123.2	168.1	177.7	-64.9	-55.7	155.9	0	0	111.8	G171 S172 V185 K188	E169-G171 PolarHBondContact O-N 3.5Å; E169-S172 PolarHBondContact N-OG 3.15Å; E169-S172 WeakPolarHBondContact O-CB 3.48Å; E169-S172 PolarHBondContact O-N 3.01Å; E169-S172 PolarHBondContact O-OG 3.27Å; E169-S172 VanDerWaalsContact O-OG 3.1Å; E169-V185 WeakPolarHBondContact O-CB 3.46Å; E169-K188 IonicContact OE1-NZ 3.71Å; E169-K188 PolarHBondContact OE1-NZ 3.01Å; E169-K188 IonicContact OE2-NZ 2.97Å; E169-K188 PolarHBondContact OE2-NZ 3.29Å
170	V	97.9	Very high	95	Very high	90 Å²	90	51.9 Å²	51.9	55%	0.545	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	128.6	170.3	177.2	0	0	0	0	108.9	K186 K188	V170-K186 WeakPolarHBondContact CG1-O 3.29Å; V170-K188 HydrophobicContact CG2-CB 4.46Å
171	G	96.8	Very high	95	Very high	38 Å²	38	49.2 Å²	49.2	39%	0.392	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	-15.2	-173.1	0	0	0	0	0	114.7	E169 V185	E169-G171 PolarHBondContact O-N 3.5Å; G171-V185 PolarHBondContact N-O 3.5Å
172	S	96.3	Very high	95.1	Very high	39 Å²	39	49 Å²	49	27%	0.273	26%	0.26	S	S	.	.			trans	-60.6	149	173.9	-66.3	0	0	0	0	111.7	E169 V185	E169-S172 PolarHBondContact N-OG 3.15Å; E169-S172 WeakPolarHBondContact O-CB 3.48Å; E169-S172 PolarHBondContact O-N 3.01Å; E169-S172 PolarHBondContact O-OG 3.27Å; E169-S172 VanDerWaalsContact O-OG 3.1Å; S172-V185 PolarHBondContact O-N 3.43Å
173	K	96.7	Very high	95.3	Very high	84 Å²	84	44 Å²	44	37%	0.365	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.2	173.9	-62.3	-163.4	178.6	-142.2	0	110.9	Y175 L183 E198	K173-Y175 HydrophobicContact CB-CD2 4.34Å; K173-Y175 HydrophobicContact CB-CE2 3.72Å; K173-Y175 HydrophobicContact CD-CE2 4.22Å; K173-L183 CarbonylContact C-O 3.4Å; K173-L183 WeakPolarHBondContact CA-O 3.19Å; K173-E198 WeakPolarHBondContact CE-OE2 3.35Å; K173-E198 IonicContact NZ-OE1 3.02Å; K173-E198 IonicContact NZ-OE2 2.86Å; K173-E198 PolarHBondContact NZ-OE2 2.94Å
174	I	97.9	Very high	95.5	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.8	173.5	-57.8	177.5	0	0	0	106.8	I142 I164 V176 L183 V185 L193 V209 L211	I142-I174 HydrophobicContact CD1-CD1 3.55Å; I142-I174 HydrophobicContact CD1-CG2 4.35Å; I164-I174 HydrophobicContact CD1-CD1 4.29Å; I174-V176 HydrophobicContact CG2-CG2 4.4Å; I174-L183 HydrophobicContact CB-CB 4.27Å; I174-L183 PolarHBondContact N-O 3.4Å; I174-L183 PolarHBondContact O-N 3.08Å; I174-V185 HydrophobicContact CD1-CG2 3.71Å; I174-V185 HydrophobicContact CG1-CG2 4.13Å; I174-L193 HydrophobicContact CD1-CD1 3.83Å; I174-V209 HydrophobicContact CG2-CG1 3.57Å; I174-L211 HydrophobicContact CB-CD2 4.18Å; I174-L211 HydrophobicContact CD1-CD2 4.34Å; I174-L211 HydrophobicContact CG1-CD2 3.73Å; I174-L211 HydrophobicContact CG2-CD2 3.88Å
175	Y	97.6	Very high	95.6	Very high	54 Å²	54	45 Å²	45	21%	0.212	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.4	179.9	-74.1	-88.4	0	0	0	109.6	K173 I181 V209 N210 P212 I299	K173-Y175 HydrophobicContact CB-CD2 4.34Å; K173-Y175 HydrophobicContact CB-CE2 3.72Å; K173-Y175 HydrophobicContact CD-CE2 4.22Å; Y175-I181 WeakPolarHBondContact CA-O 3.4Å; Y175-V209 CarbonylContact O-C 3.18Å; Y175-V209 VanDerWaalsContact O-CA 3.25Å; Y175-V209 WeakPolarHBondContact O-CA 3.44Å; Y175-N210 PolarHBondContact N-O 3.09Å; Y175-N210 PolarHBondContact O-N 2.75Å; Y175-P212 HydrophobicContact CD2-CG 3.57Å; Y175-P212 HydrophobicContact CE2-CG 3.71Å; Y175-I299 HydrophobicContact CD1-CG2 4.38Å; Y175-I299 HydrophobicContact CD2-CG2 4.33Å; Y175-I299 HydrophobicContact CG-CG2 3.87Å
176	V	96.4	Very high	95.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144	-178.3	-171	0	0	0	0	109.5	T121 I174 L180 I181 L183 L203 K207 G208 V209	T121-V176 HydrophobicContact CG2-CG1 3.91Å; I174-V176 HydrophobicContact CG2-CG2 4.4Å; V176-L180 PolarHBondContact O-N 3.07Å; V176-I181 HydrophobicContact CB-CB 4.19Å; V176-I181 HydrophobicContact CB-CG2 4.36Å; V176-I181 PolarHBondContact N-O 3.27Å; V176-I181 PolarHBondContact O-N 3.34Å; V176-I181 VanDerWaalsContact O-N 3.08Å; V176-L183 HydrophobicContact CG2-CD1 4.19Å; V176-L203 HydrophobicContact CG1-CD1 3.63Å; V176-K207 HydrophobicContact CG1-CB 4.04Å; V176-G208 WeakPolarHBondContact CA-O 3.4Å; V176-V209 HydrophobicContact CG1-CG2 4.44Å; V176-V209 HydrophobicContact CG2-CG2 4.29Å
177	D	91.6	Very high	95.9	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.118	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	74.8	176.3	-160	22.9	0	0	0	112.9	G179 L180 K207 G208	D177-G179 PolarHBondContact O-N 3.44Å; D177-G179 VanDerWaalsContact O-N 3.09Å; D177-L180 WeakPolarHBondContact O-CB 3.36Å; D177-L180 VanDerWaalsContact O-CG 3.31Å; D177-L180 WeakPolarHBondContact O-CG 3.35Å; D177-L180 PolarHBondContact O-N 2.91Å; D177-L180 VanDerWaalsContact O-N 3.07Å; D177-K207 HydrophobicContact CB-CB 3.92Å; D177-K207 HydrophobicContact CB-CD 4.42Å; D177-K207 HydrophobicContact CB-CG 3.94Å; D177-K207 VanDerWaalsContact OD1-CD 3.27Å; D177-K207 WeakPolarHBondContact OD1-CD 3.25Å; D177-K207 IonicContact OD1-NZ 3.65Å; D177-K207 PolarHBondContact OD1-NZ 2.83Å; D177-K207 IonicContact OD2-NZ 2.79Å; D177-K207 PolarHBondContact OD2-NZ 2.89Å; D177-G208 PolarHBondContact N-O 3.36Å
178	D	87.5	Confident	96	Very high	114 Å²	114	48.3 Å²	48.3	61%	0.61	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	28.7	-179.4	-56.2	-17.5	0	0	0	113.2	L180	D178-L180 VanDerWaalsContact C-N 3.26Å; D178-L180 PolarHBondContact O-N 2.95Å
179	G	90.4	Very high	96	Very high	20 Å²	20	49.2 Å²	49.2	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	7.6	179.3	0	0	0	0	0	115.5	D177	D177-G179 PolarHBondContact O-N 3.44Å; D177-G179 VanDerWaalsContact O-N 3.09Å
180	L	91.8	Very high	95.8	Very high	124 Å²	124	48.8 Å²	48.8	65%	0.649	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-35.9	-179.5	-62.5	176.3	0	0	0	112.2	V176 D177 D178	V176-L180 PolarHBondContact O-N 3.07Å; D177-L180 WeakPolarHBondContact O-CB 3.36Å; D177-L180 VanDerWaalsContact O-CG 3.31Å; D177-L180 WeakPolarHBondContact O-CG 3.35Å; D177-L180 PolarHBondContact O-N 2.91Å; D177-L180 VanDerWaalsContact O-N 3.07Å; D178-L180 VanDerWaalsContact C-N 3.26Å; D178-L180 PolarHBondContact O-N 2.95Å
181	I	96.8	Very high	95.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.8	175.1	-65	166	0	0	0	108.3	L134 Y175 V176 L183 L203	L134-I181 HydrophobicContact CD1-CD1 4.33Å; L134-I181 HydrophobicContact CD1-CG2 3.97Å; Y175-I181 WeakPolarHBondContact CA-O 3.4Å; V176-I181 HydrophobicContact CB-CB 4.19Å; V176-I181 HydrophobicContact CB-CG2 4.36Å; V176-I181 PolarHBondContact N-O 3.27Å; V176-I181 PolarHBondContact O-N 3.34Å; V176-I181 VanDerWaalsContact O-N 3.08Å; I181-L183 HydrophobicContact CG2-CD2 4.05Å; I181-L183 HydrophobicContact CG2-CG 4.41Å; I181-L203 HydrophobicContact CD1-CB 3.92Å; I181-L203 HydrophobicContact CD1-CD1 4.14Å
182	S	97.7	Very high	95.7	Very high	1 Å²	1	49 Å²	49	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.1	175.4	70.2	0	0	0	0	111.7	E198 N199	S182-E198 PolarHBondContact O-N 3.38Å; S182-N199 PolarHBondContact N-O 3.08Å; S182-N199 VanDerWaalsContact N-O 3.16Å; S182-N199 PolarHBondContact O-N 2.88Å; S182-N199 WeakPolarHBondContact OG-CB 3.27Å; S182-N199 PolarHBondContact OG-N 2.87Å; S182-N199 PolarHBondContact OG-ND2 2.83Å
183	L	98.4	Very high	95.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.8	-178.8	-48.6	173.9	0	0	0	108.9	L140 I142 K173 I174 V176 I181 T195 E196 V197	L140-L183 HydrophobicContact CD2-CD1 3.8Å; L140-L183 HydrophobicContact CD2-CD2 4.04Å; I142-L183 HydrophobicContact CD1-CD1 4.03Å; K173-L183 CarbonylContact C-O 3.4Å; K173-L183 WeakPolarHBondContact CA-O 3.19Å; I174-L183 HydrophobicContact CB-CB 4.27Å; I174-L183 PolarHBondContact N-O 3.4Å; I174-L183 PolarHBondContact O-N 3.08Å; V176-L183 HydrophobicContact CG2-CD1 4.19Å; I181-L183 HydrophobicContact CG2-CD2 4.05Å; I181-L183 HydrophobicContact CG2-CG 4.41Å; L183-T195 HydrophobicContact CB-CG2 4.35Å; L183-E196 WeakPolarHBondContact CA-O 3.5Å; L183-V197 HydrophobicContact CD2-CB 4.27Å; L183-V197 HydrophobicContact CD2-CG1 4.45Å; L183-V197 HydrophobicContact CD2-CG2 3.8Å
184	Q	98.4	Very high	95.9	Very high	47 Å²	47	44.6 Å²	44.6	22%	0.22	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.5	171	-173.4	176.9	54.8	0	0	110.1	K186 T195 E196 E198	Q184-K186 PolarHBondContact O-N 3.38Å; Q184-T195 CarbonylContact O-C 3.55Å; Q184-T195 WeakPolarHBondContact O-CA 3.02Å; Q184-T195 WeakPolarHBondContact O-CB 3.48Å; Q184-E196 PolarHBondContact N-O 3.28Å; Q184-E196 PolarHBondContact O-N 2.99Å; Q184-E198 HydrophobicContact CB-CG 3.94Å
185	V	98.4	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	121.4	177	-178.2	0	0	0	0	109.7	V168 E169 G171 S172 I174 L193 T195	V168-V185 HydrophobicContact CG2-CG2 4.36Å; E169-V185 WeakPolarHBondContact O-CB 3.46Å; G171-V185 PolarHBondContact N-O 3.5Å; S172-V185 PolarHBondContact O-N 3.43Å; I174-V185 HydrophobicContact CD1-CG2 3.71Å; I174-V185 HydrophobicContact CG1-CG2 4.13Å; V185-L193 HydrophobicContact CG1-CD2 4.13Å; V185-L193 HydrophobicContact CG2-CD1 4.36Å; V185-T195 HydrophobicContact CG2-CG2 4.37Å
186	K	98.5	Very high	96	Very high	88 Å²	88	45.4 Å²	45.4	38%	0.383	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-34.5	178.3	-60.3	-61	-176.6	163.1	0	112.7	V170 Q184 V194 E196	V170-K186 WeakPolarHBondContact CG1-O 3.29Å; Q184-K186 PolarHBondContact O-N 3.38Å; K186-V194 PolarHBondContact N-O 2.85Å; K186-E196 HydrophobicContact CD-CB 4.35Å; K186-E196 WeakPolarHBondContact CE-OE2 3.47Å; K186-E196 HydrophobicContact CG-CB 3.95Å; K186-E196 IonicContact NZ-OE2 3.38Å; K186-E196 PolarHBondContact NZ-OE2 3.16Å
187	Q	98.2	Very high	96.1	Very high	114 Å²	114	45.3 Å²	45.3	53%	0.533	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.5	177.6	-171.3	-175.3	-7.3	0	0	110.1	L193 V194	Q187-L193 WeakPolarHBondContact O-CA 3.42Å; Q187-V194 HydrophobicContact CB-CB 3.94Å; Q187-V194 HydrophobicContact CB-CG2 4.15Å; Q187-V194 PolarHBondContact N-O 3.26Å; Q187-V194 VanDerWaalsContact N-O 3.1Å; Q187-V194 PolarHBondContact O-N 2.76Å
188	K	97.8	Very high	96.4	Very high	66 Å²	66	46.3 Å²	46.3	29%	0.287	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.4	179	-175.9	164	153.2	169.3	0	109.3	C165 V168 E169 V170 L193	C165-K188 WeakPolarHBondContact O-CE 3.48Å; C165-K188 PolarHBondContact O-NZ 3.32Å; V168-K188 PolarHBondContact O-NZ 3.06Å; E169-K188 IonicContact OE1-NZ 3.71Å; E169-K188 PolarHBondContact OE1-NZ 3.01Å; E169-K188 IonicContact OE2-NZ 2.97Å; E169-K188 PolarHBondContact OE2-NZ 3.29Å; V170-K188 HydrophobicContact CG2-CB 4.46Å; K188-L193 HydrophobicContact CB-CD2 4.19Å; K188-L193 HydrophobicContact CD-CD2 4.48Å; K188-L193 HydrophobicContact CG-CD2 3.93Å
189	G	94.6	Very high	96.8	Very high	20 Å²	20	45 Å²	45	21%	0.206	25%	0.246	C	C	.	.			trans	-103.1	-170.3	172.5	0	0	0	0	0	111.5	F192	G189-F192 WeakPolarHBondContact CA-O 3.47Å; G189-F192 PolarHBondContact N-O 3.18Å
190	A	93.3	Very high	97	Very high	98 Å²	98	45.6 Å²	45.6	81%	0.81	25%	0.252	S	S	*	.	S	Bend	trans	-69.2	-42.4	176.1	0	0	0	0	0	112
191	D	94.4	Very high	97.2	Very high	81 Å²	81	41 Å²	41	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	-137.7	16.5	-173.9	65.1	-24.4	0	0	0	112.7	L144	L144-D191 WeakPolarHBondContact CG-O 3.37Å; L144-D191 PolarHBondContact N-O 3.12Å
192	F	97.8	Very high	97.1	Very high	51 Å²	51	43.9 Å²	43.9	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	160.7	-179.8	72.4	-93.1	0	0	0	112.2	K141 I142 G189 V194	K141-F192 HydrophobicContact CD-CD2 4.49Å; K141-F192 HydrophobicContact CG-CD2 4.4Å; I142-F192 CarbonylContact O-C 3.57Å; I142-F192 WeakPolarHBondContact O-CA 3.49Å; I142-F192 VanDerWaalsContact O-CB 3.25Å; I142-F192 WeakPolarHBondContact O-CB 3.29Å; G189-F192 WeakPolarHBondContact CA-O 3.47Å; G189-F192 PolarHBondContact N-O 3.18Å; F192-V194 HydrophobicContact CD2-CG2 4.11Å; F192-V194 HydrophobicContact CE2-CG2 3.86Å
193	L	98.3	Very high	97	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.8	170.6	-53.9	166.2	0	0	0	108.9	K141 I142 I164 V168 I174 V185 Q187 K188 T195	K141-L193 CarbonylContact C-O 3.53Å; K141-L193 WeakPolarHBondContact CA-O 3.43Å; I142-L193 HydrophobicContact CB-CB 4.19Å; I142-L193 PolarHBondContact N-O 3.12Å; I142-L193 PolarHBondContact O-N 2.83Å; I164-L193 HydrophobicContact CD1-CD1 4.14Å; I164-L193 HydrophobicContact CG1-CD1 4.27Å; I164-L193 HydrophobicContact CG2-CD1 4.45Å; V168-L193 HydrophobicContact CG2-CD1 3.61Å; V168-L193 HydrophobicContact CG2-CD2 3.94Å; V168-L193 HydrophobicContact CG2-CG 4.44Å; I174-L193 HydrophobicContact CD1-CD1 3.83Å; V185-L193 HydrophobicContact CG1-CD2 4.13Å; V185-L193 HydrophobicContact CG2-CD1 4.36Å; Q187-L193 WeakPolarHBondContact O-CA 3.42Å; K188-L193 HydrophobicContact CB-CD2 4.19Å; K188-L193 HydrophobicContact CD-CD2 4.48Å; K188-L193 HydrophobicContact CG-CD2 3.93Å; L193-T195 HydrophobicContact CB-CG2 4.33Å
194	V	98.6	Very high	96.8	Very high	31 Å²	31	44 Å²	44	19%	0.188	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.3	166.5	-172.9	0	0	0	0	107.2	T139 K186 Q187 F192	T139-V194 HydrophobicContact CG2-CG1 3.39Å; K186-V194 PolarHBondContact N-O 2.85Å; Q187-V194 HydrophobicContact CB-CB 3.94Å; Q187-V194 HydrophobicContact CB-CG2 4.15Å; Q187-V194 PolarHBondContact N-O 3.26Å; Q187-V194 VanDerWaalsContact N-O 3.1Å; Q187-V194 PolarHBondContact O-N 2.76Å; F192-V194 HydrophobicContact CD2-CG2 4.11Å; F192-V194 HydrophobicContact CE2-CG2 3.86Å
195	T	98.8	Very high	96.5	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.7	-176	70.5	0	0	0	0	111.1	T139 L140 I142 L183 Q184 V185 L193	T139-T195 CarbonylContact C-O 3.52Å; T139-T195 VanDerWaalsContact CA-O 3.32Å; T139-T195 WeakPolarHBondContact CA-O 3.4Å; L140-T195 PolarHBondContact N-O 3.14Å; L140-T195 PolarHBondContact O-N 2.97Å; L140-T195 PolarHBondContact O-OG1 2.88Å; I142-T195 HydrophobicContact CD1-CG2 3.88Å; I142-T195 HydrophobicContact CG1-CG2 4.31Å; L183-T195 HydrophobicContact CB-CG2 4.35Å; Q184-T195 CarbonylContact O-C 3.55Å; Q184-T195 WeakPolarHBondContact O-CA 3.02Å; Q184-T195 WeakPolarHBondContact O-CB 3.48Å; V185-T195 HydrophobicContact CG2-CG2 4.37Å; L193-T195 HydrophobicContact CB-CG2 4.33Å
196	E	98.6	Very high	96.2	Very high	71 Å²	71	49 Å²	49	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.1	165.2	-173.5	-171	142.1	0	0	108.7	A138 L183 Q184 K186 E198	A138-E196 WeakPolarHBondContact O-CA 3.48Å; L183-E196 WeakPolarHBondContact CA-O 3.5Å; Q184-E196 PolarHBondContact N-O 3.28Å; Q184-E196 PolarHBondContact O-N 2.99Å; K186-E196 HydrophobicContact CD-CB 4.35Å; K186-E196 WeakPolarHBondContact CE-OE2 3.47Å; K186-E196 HydrophobicContact CG-CB 3.95Å; K186-E196 IonicContact NZ-OE2 3.38Å; K186-E196 PolarHBondContact NZ-OE2 3.16Å; E196-E198 PolarHBondContact O-N 3.34Å
197	V	98.6	Very high	95.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	107.7	175.2	-179.3	0	0	0	0	109.1	L134 K135 K136 G137 A138 L140 L183	L134-V197 HydrophobicContact CB-CG1 4.25Å; L134-V197 HydrophobicContact CB-CG2 4.31Å; K135-V197 WeakPolarHBondContact O-CB 3.44Å; K136-V197 WeakPolarHBondContact CA-O 3.46Å; G137-V197 PolarHBondContact N-O 3.37Å; A138-V197 HydrophobicContact CB-CG2 4.47Å; A138-V197 WeakPolarHBondContact O-CG2 3.4Å; A138-V197 PolarHBondContact O-N 2.93Å; L140-V197 HydrophobicContact CB-CG2 4.29Å; L183-V197 HydrophobicContact CD2-CB 4.27Å; L183-V197 HydrophobicContact CD2-CG1 4.45Å; L183-V197 HydrophobicContact CD2-CG2 3.8Å
198	E	97.2	Very high	95.7	Very high	43 Å²	43	42.3 Å²	42.3	20%	0.201	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-50.7	175.1	-70.1	-168.4	152.9	0	0	110.8	K136 K173 S182 Q184 E196	K136-E198 WeakPolarHBondContact CD-O 3.49Å; K136-E198 WeakPolarHBondContact CG-O 3.33Å; K173-E198 WeakPolarHBondContact CE-OE2 3.35Å; K173-E198 IonicContact NZ-OE1 3.02Å; K173-E198 IonicContact NZ-OE2 2.86Å; K173-E198 PolarHBondContact NZ-OE2 2.94Å; S182-E198 PolarHBondContact O-N 3.38Å; Q184-E198 HydrophobicContact CB-CG 3.94Å; E196-E198 PolarHBondContact O-N 3.34Å
199	N	95.9	Very high	95.6	Very high	86 Å²	86	39.6 Å²	39.6	46%	0.46	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.3	172.6	-69.8	-27.9	0	0	0	108.8	S182	S182-N199 PolarHBondContact N-O 3.08Å; S182-N199 VanDerWaalsContact N-O 3.16Å; S182-N199 PolarHBondContact O-N 2.88Å; S182-N199 WeakPolarHBondContact OG-CB 3.27Å; S182-N199 PolarHBondContact OG-N 2.87Å; S182-N199 PolarHBondContact OG-ND2 2.83Å
200	G	95.9	Very high	95.6	Very high	33 Å²	33	38.9 Å²	38.9	34%	0.34	23%	0.233	S	C	.	.			trans	-83.5	178.7	177.5	0	0	0	0	0	113.1	L134	L134-G200 CarbonylContact O-C 3.57Å; L134-G200 WeakPolarHBondContact O-CA 3.32Å
201	G	95.5	Very high	95.7	Very high	27 Å²	27	34.3 Å²	34.3	28%	0.278	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	164.2	179.3	-179.7	0	0	0	0	0	112.5	L134	L134-G201 PolarHBondContact N-O 3.45Å; L134-G201 PolarHBondContact O-N 3Å
202	S	95.4	Very high	95.6	Very high	62 Å²	62	32.4 Å²	32.4	43%	0.434	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.2	171.6	-156.9	0	0	0	0	109.6	E131	E131-S202 WeakPolarHBondContact CB-OG 3Å; E131-S202 WeakPolarHBondContact OE2-CB 3.34Å; E131-S202 PolarHBondContact OE2-OG 3.2Å
203	L	94.7	Very high	95	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.2	177.3	177.6	64	0	0	0	110	I124 E131 V132 L134 L157 V176 I181 K207	I124-L203 HydrophobicContact CD1-CG 4.41Å; E131-L203 CarbonylContact C-O 3.45Å; E131-L203 VanDerWaalsContact CA-O 3.27Å; E131-L203 WeakPolarHBondContact CA-O 3.32Å; V132-L203 HydrophobicContact CG2-CB 4Å; V132-L203 HydrophobicContact CG2-CD2 4.32Å; V132-L203 HydrophobicContact CG2-CG 4.45Å; V132-L203 PolarHBondContact N-O 3.17Å; V132-L203 PolarHBondContact O-N 3.49Å; L134-L203 HydrophobicContact CD1-CB 4.33Å; L134-L203 HydrophobicContact CD1-CD2 4.01Å; L134-L203 HydrophobicContact CG-CB 4.36Å; L157-L203 HydrophobicContact CD1-CD2 3.81Å; L157-L203 HydrophobicContact CD2-CD2 4.19Å; V176-L203 HydrophobicContact CG1-CD1 3.63Å; I181-L203 HydrophobicContact CD1-CB 3.92Å; I181-L203 HydrophobicContact CD1-CD1 4.14Å; L203-K207 HydrophobicContact CD1-CB 4.27Å; L203-K207 HydrophobicContact CD1-CG 3.99Å
204	G	93.2	Very high	94.6	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.031	22%	0.221	C	C	.	.			trans	-93.6	-173.3	170.7	0	0	0	0	0	113.9	K207	G204-K207 WeakPolarHBondContact O-CG 3.34Å
205	S	93.3	Very high	94.1	Very high	23 Å²	23	37 Å²	37	16%	0.161	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	148.9	177.8	-62.9	0	0	0	0	113.1	G122 I124 G128 K207	G122-S205 WeakPolarHBondContact O-CA 3.43Å; I124-S205 PolarHBondContact N-OG 3.23Å; G128-S205 WeakPolarHBondContact O-CB 3.39Å; G128-S205 PolarHBondContact O-OG 3.28Å; S205-K207 VanDerWaalsContact C-N 3.28Å; S205-K207 PolarHBondContact O-N 3.36Å
206	K	91.9	Very high	93.6	Very high	129 Å²	129	38.5 Å²	38.5	56%	0.561	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	39	171.3	-62.8	177.9	174.8	176.2	0	114.2	R120 T121 G122 L123	R120-K206 WeakPolarHBondContact CD-O 3.19Å; R120-K206 PolarHBondContact NH1-O 2.67Å; T121-K206 WeakPolarHBondContact O-CA 3.5Å; T121-K206 PolarHBondContact OG1-N 3.26Å; G122-K206 PolarHBondContact O-N 2.93Å; L123-K206 HydrophobicContact CD2-CD 4.09Å; L123-K206 HydrophobicContact CD2-CG 4.08Å
207	K	92.2	Very high	93.2	Very high	50 Å²	50	39.7 Å²	39.7	22%	0.217	26%	0.262	C	S	.	.			trans	-77.7	149.4	176.5	-59.1	-46.5	-167.5	110.8	0	110.8	R120 T121 V176 D177 L203 G204 S205	R120-K207 WeakPolarHBondContact CA-O 3.35Å; T121-K207 PolarHBondContact N-O 2.89Å; T121-K207 PolarHBondContact OG1-N 3.38Å; V176-K207 HydrophobicContact CG1-CB 4.04Å; D177-K207 HydrophobicContact CB-CB 3.92Å; D177-K207 HydrophobicContact CB-CD 4.42Å; D177-K207 HydrophobicContact CB-CG 3.94Å; D177-K207 VanDerWaalsContact OD1-CD 3.27Å; D177-K207 WeakPolarHBondContact OD1-CD 3.25Å; D177-K207 IonicContact OD1-NZ 3.65Å; D177-K207 PolarHBondContact OD1-NZ 2.83Å; D177-K207 IonicContact OD2-NZ 2.79Å; D177-K207 PolarHBondContact OD2-NZ 2.89Å; L203-K207 HydrophobicContact CD1-CB 4.27Å; L203-K207 HydrophobicContact CD1-CG 3.99Å; G204-K207 WeakPolarHBondContact O-CG 3.34Å; S205-K207 VanDerWaalsContact C-N 3.28Å; S205-K207 PolarHBondContact O-N 3.36Å
208	G	93.1	Very high	92.8	Very high	12 Å²	12	41.7 Å²	41.7	12%	0.124	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	145.9	175.7	0	0	0	0	0	111.2	I119 V176 D177	I119-G208 CarbonylContact O-C 3.59Å; I119-G208 WeakPolarHBondContact O-CA 3.16Å; V176-G208 WeakPolarHBondContact CA-O 3.4Å; D177-G208 PolarHBondContact N-O 3.36Å
209	V	96.3	Very high	92.4	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.5	174.6	-178.8	0	0	0	0	109.2	I119 T121 I174 Y175 V176 L211	I119-V209 HydrophobicContact CB-CB 3.95Å; I119-V209 HydrophobicContact CG2-CB 3.77Å; I119-V209 HydrophobicContact CG2-CG1 4.26Å; I119-V209 HydrophobicContact CG2-CG2 4.29Å; I119-V209 PolarHBondContact O-N 3.12Å; T121-V209 HydrophobicContact CG2-CG2 3.7Å; I174-V209 HydrophobicContact CG2-CG1 3.57Å; Y175-V209 CarbonylContact O-C 3.18Å; Y175-V209 VanDerWaalsContact O-CA 3.25Å; Y175-V209 WeakPolarHBondContact O-CA 3.44Å; V176-V209 HydrophobicContact CG1-CG2 4.44Å; V176-V209 HydrophobicContact CG2-CG2 4.29Å; V209-L211 HydrophobicContact CG1-CD2 4.22Å
210	N	95.8	Very high	92	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.3	179.2	-63	85.6	0	0	0	109.6	Y175 P212 D296 I299 E300	Y175-N210 PolarHBondContact N-O 3.09Å; Y175-N210 PolarHBondContact O-N 2.75Å; N210-P212 WeakPolarHBondContact O-CD 3.37Å; N210-D296 PolarHBondContact ND2-OD1 2.8Å; N210-I299 HydrophobicContact CB-CB 4.35Å; N210-I299 HydrophobicContact CB-CG2 3.51Å; N210-E300 WeakPolarHBondContact CB-OE1 3.44Å; N210-E300 PolarHBondContact ND2-OE1 3.3Å
211	L	95.2	Very high	91.8	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	25%	0.253	C	S	.	.			trans	-128.3	69.2	-173.7	-57.5	177.2	0	0	0	110.2	I119 Y161 I164 V167 V168 I174 V209 G213 A214 V216 E300	I119-L211 HydrophobicContact CD1-CD1 3.55Å; I119-L211 HydrophobicContact CD1-CG 4.02Å; Y161-L211 HydrophobicContact CD1-CD1 4.02Å; Y161-L211 HydrophobicContact CE1-CD1 3.97Å; I164-L211 HydrophobicContact CD1-CD1 4.19Å; I164-L211 HydrophobicContact CD1-CD2 4.09Å; I164-L211 HydrophobicContact CG1-CD1 3.92Å; I164-L211 HydrophobicContact CG1-CD2 4.49Å; V167-L211 HydrophobicContact CG2-CD1 4.31Å; V168-L211 HydrophobicContact CG1-CD1 4.18Å; V168-L211 HydrophobicContact CG1-CD2 4.08Å; I174-L211 HydrophobicContact CB-CD2 4.18Å; I174-L211 HydrophobicContact CD1-CD2 4.34Å; I174-L211 HydrophobicContact CG1-CD2 3.73Å; I174-L211 HydrophobicContact CG2-CD2 3.88Å; V209-L211 HydrophobicContact CG1-CD2 4.22Å; L211-G213 PolarHBondContact O-N 2.95Å; L211-A214 HydrophobicContact CB-CB 3.73Å; L211-A214 VanDerWaalsContact O-CB 3.26Å; L211-A214 WeakPolarHBondContact O-CB 3.21Å; L211-A214 PolarHBondContact O-N 2.82Å; L211-V216 HydrophobicContact CB-CG2 4.19Å; L211-V216 HydrophobicContact CD1-CG2 4.13Å; L211-E300 PolarHBondContact N-OE1 2.93Å
212	P	90.8	Very high	91.7	Very high	41 Å²	41	38.5 Å²	38.5	27%	0.266	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	126.9	-172.7	-27.1	37.6	0	0	0	112.2	Y175 N210 A214 I299	Y175-P212 HydrophobicContact CD2-CG 3.57Å; Y175-P212 HydrophobicContact CE2-CG 3.71Å; N210-P212 WeakPolarHBondContact O-CD 3.37Å; P212-A214 PolarHBondContact O-N 3.07Å; P212-I299 WeakPolarHBondContact CG-O 3.5Å
213	G	85.9	Confident	91.6	Very high	74 Å²	74	43.6 Å²	43.6	76%	0.763	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-5	-179.3	0	0	0	0	0	115.2	L211	L211-G213 PolarHBondContact O-N 2.95Å
214	A	89.6	Confident	91.5	Very high	22 Å²	22	48.8 Å²	48.8	18%	0.182	29%	0.29	C	S	.	.			trans	-78.3	141.3	170.7	0	0	0	0	0	110.6	V167 V168 L211 P212 V216	V167-A214 HydrophobicContact CB-CB 4.36Å; V167-A214 HydrophobicContact CG2-CB 4.18Å; V167-A214 WeakPolarHBondContact O-CB 3.37Å; V168-A214 HydrophobicContact CG1-CB 4.37Å; L211-A214 HydrophobicContact CB-CB 3.73Å; L211-A214 VanDerWaalsContact O-CB 3.26Å; L211-A214 WeakPolarHBondContact O-CB 3.21Å; L211-A214 PolarHBondContact O-N 2.82Å; P212-A214 PolarHBondContact O-N 3.07Å; A214-V216 VanDerWaalsContact C-N 3.25Å; A214-V216 HydrophobicContact CB-CG2 4.45Å; A214-V216 PolarHBondContact O-N 2.79Å
215	A	87.4	Confident	91.6	Very high	82 Å²	82	48.7 Å²	48.7	68%	0.678	29%	0.289	S	S	*	.			trans	-80.5	72.9	173.1	0	0	0	0	0	110.2	V167 D217	V167-A215 VanDerWaalsContact CG1-O 3.27Å; V167-A215 WeakPolarHBondContact CG1-O 3.44Å; A215-D217 PolarHBondContact O-N 3.49Å
216	V	89.6	Confident	91.9	Very high	33 Å²	33	49.7 Å²	49.7	20%	0.2	29%	0.292	C	S	.	.			trans	-59.2	127.6	178.1	-179.3	0	0	0	0	109.5	Y161 L211 A214 L218 R246	Y161-V216 HydrophobicContact CE1-CG1 4.32Å; L211-V216 HydrophobicContact CB-CG2 4.19Å; L211-V216 HydrophobicContact CD1-CG2 4.13Å; A214-V216 VanDerWaalsContact C-N 3.25Å; A214-V216 HydrophobicContact CB-CG2 4.45Å; A214-V216 PolarHBondContact O-N 2.79Å; V216-L218 HydrophobicContact CG1-CB 4.19Å; V216-L218 HydrophobicContact CG1-CD1 4.13Å; V216-L218 HydrophobicContact CG1-CG 4.08Å; V216-R246 PolarHBondContact O-NH1 3.17Å
217	D	89.4	Confident	92.2	Very high	95 Å²	95	48.6 Å²	48.6	51%	0.508	29%	0.289	S	S	.	.			trans	-110.9	14.9	-172.7	71.4	-12.7	0	0	0	114.4	Y161 N163 A215	Y161-D217 PolarHBondContact OH-N 3.18Å; Y161-D217 PolarHBondContact OH-OD1 3.43Å; N163-D217 PolarHBondContact ND2-OD1 2.85Å; N163-D217 VanDerWaalsContact ND2-OD1 3.08Å; N163-D217 PolarHBondContact ND2-OD2 2.77Å; A215-D217 PolarHBondContact O-N 3.49Å
218	L	89.8	Confident	92.5	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.225	28%	0.28	C	S	.	.			trans	-57.8	141.6	168.2	-70.2	173.9	0	0	0	110.7	P117 I119 Y161 V216 R246	P117-L218 HydrophobicContact CB-CB 3.48Å; P117-L218 VanDerWaalsContact CB-CB 3.48Å; P117-L218 HydrophobicContact CB-CD1 4Å; P117-L218 HydrophobicContact CB-CG 4.38Å; P117-L218 WeakPolarHBondContact O-CD1 3.48Å; I119-L218 HydrophobicContact CG1-CD1 3.93Å; Y161-L218 HydrophobicContact CD2-CD1 4.02Å; Y161-L218 HydrophobicContact CD2-CD2 3.67Å; Y161-L218 HydrophobicContact CD2-CG 3.72Å; Y161-L218 HydrophobicContact CE2-CD1 4.39Å; Y161-L218 HydrophobicContact CE2-CD2 3.92Å; Y161-L218 HydrophobicContact CE2-CG 3.72Å; Y161-L218 HydrophobicContact CG-CD1 4.43Å; V216-L218 HydrophobicContact CG1-CB 4.19Å; V216-L218 HydrophobicContact CG1-CD1 4.13Å; V216-L218 HydrophobicContact CG1-CG 4.08Å; L218-R246 PolarHBondContact O-NH1 3.06Å; L218-R246 PolarHBondContact O-NH2 3.45Å
219	P	90.1	Very high	92.7	Very high	73 Å²	73	46 Å²	46	47%	0.474	28%	0.275	S	S	.	.			trans	-65.4	144.1	176.3	28.9	-34.8	0	0	0	110.4	P117 V221	P117-P219 WeakPolarHBondContact CB-O 3.37Å; P219-V221 PolarHBondContact O-N 2.98Å
220	A	86.4	Confident	92.8	Very high	7 Å²	7	50.2 Å²	50.2	6%	0.058	29%	0.292	C	S	.	.	S	Bend	trans	-65.4	-29.5	176.9	0	0	0	0	0	112.2	D250	A220-D250 HydrophobicContact CB-CB 3.53Å
221	V	92.5	Very high	93	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.055	29%	0.294	C	S	.	.	S	Bend	trans	-121.8	104.8	175.8	-170.5	0	0	0	0	108.6	P219 D225 I226 L229 E253 V254	P219-V221 PolarHBondContact O-N 2.98Å; V221-D225 HydrophobicContact CG1-CB 3.87Å; V221-I226 HydrophobicContact CG1-CG1 3.74Å; V221-L229 HydrophobicContact CG1-CD1 4.07Å; V221-E253 HydrophobicContact CB-CG 4.06Å; V221-E253 HydrophobicContact CG2-CB 4.18Å; V221-E253 HydrophobicContact CG2-CG 3.86Å; V221-V254 HydrophobicContact CG2-CG2 3.55Å
222	S	93.3	Very high	93.1	Very high	34 Å²	34	50.7 Å²	50.7	24%	0.238	30%	0.295	C	S	.	.			trans	-76.6	167.6	174.2	71.1	0	0	0	0	111.9	K224 D225 I226	S222-K224 PolarHBondContact O-N 2.74Å; S222-K224 PolarHBondContact OG-N 2.77Å; S222-D225 VanDerWaalsContact CB-OD2 3.29Å; S222-D225 WeakPolarHBondContact CB-OD2 3.42Å; S222-D225 PolarHBondContact N-OD2 2.7Å; S222-D225 PolarHBondContact O-N 3.35Å; S222-D225 VanDerWaalsContact OG-CG 3.28Å; S222-D225 PolarHBondContact OG-N 2.57Å; S222-D225 VanDerWaalsContact OG-N 3.13Å; S222-D225 PolarHBondContact OG-OD2 3.44Å; S222-I226 WeakPolarHBondContact O-CG1 3.3Å; S222-I226 PolarHBondContact O-N 2.77Å
223	E	93.8	Very high	93.5	Very high	169 Å²	169	49.5 Å²	49.5	79%	0.79	29%	0.287	S	S	*	.	H	α-helix	trans	-56	-35.7	172.3	-69.2	176.7	177.9	0	0	112.4	I226 Q227	E223-I226 WeakPolarHBondContact O-CB 3.22Å; E223-I226 PolarHBondContact O-N 3.45Å; E223-Q227 WeakPolarHBondContact O-CG 3.38Å; E223-Q227 PolarHBondContact O-N 3.1Å
224	K	92.1	Very high	94.1	Very high	109 Å²	109	52.4 Å²	52.4	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-66	-46.1	173.9	175.8	170.5	173.8	150.5	0	111.2	K115 S222 I226 Q227 D228	K115-K224 HydrophobicContact CD-CD 4.45Å; S222-K224 PolarHBondContact O-N 2.74Å; S222-K224 PolarHBondContact OG-N 2.77Å; K224-I226 PolarHBondContact O-N 3.46Å; K224-Q227 WeakPolarHBondContact O-CB 3.47Å; K224-Q227 PolarHBondContact O-N 3.34Å; K224-D228 PolarHBondContact O-N 2.8Å
225	D	95.8	Very high	94.6	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.011	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-36	176.7	-60.9	-59.9	0	0	0	111	K115 G116 V221 S222 Q227 D228 L229	K115-D225 PolarHBondContact N-OD1 3.08Å; G116-D225 PolarHBondContact N-OD1 2.82Å; V221-D225 HydrophobicContact CG1-CB 3.87Å; S222-D225 VanDerWaalsContact CB-OD2 3.29Å; S222-D225 WeakPolarHBondContact CB-OD2 3.42Å; S222-D225 PolarHBondContact N-OD2 2.7Å; S222-D225 PolarHBondContact O-N 3.35Å; S222-D225 VanDerWaalsContact OG-CG 3.28Å; S222-D225 PolarHBondContact OG-N 2.57Å; S222-D225 VanDerWaalsContact OG-N 3.13Å; S222-D225 PolarHBondContact OG-OD2 3.44Å; D225-Q227 VanDerWaalsContact C-N 3.34Å; D225-Q227 PolarHBondContact O-N 2.93Å; D225-D228 PolarHBondContact O-N 2.86Å; D225-L229 WeakPolarHBondContact O-CB 3.41Å; D225-L229 WeakPolarHBondContact O-CG 3.26Å; D225-L229 PolarHBondContact O-N 3.35Å
226	I	98	Very high	95.1	Very high	43 Å²	43	53.3 Å²	53.3	22%	0.221	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-43.6	173.7	-65.1	173.6	0	0	0	111.4	V221 S222 E223 K224 K230 V257	V221-I226 HydrophobicContact CG1-CG1 3.74Å; S222-I226 WeakPolarHBondContact O-CG1 3.3Å; S222-I226 PolarHBondContact O-N 2.77Å; E223-I226 WeakPolarHBondContact O-CB 3.22Å; E223-I226 PolarHBondContact O-N 3.45Å; K224-I226 PolarHBondContact O-N 3.46Å; I226-K230 HydrophobicContact CG2-CD 4.21Å; I226-K230 WeakPolarHBondContact O-CB 3.48Å; I226-K230 VanDerWaalsContact O-CG 3.29Å; I226-K230 WeakPolarHBondContact O-CG 3.34Å; I226-K230 PolarHBondContact O-N 2.93Å; I226-V257 HydrophobicContact CB-CG1 4.29Å; I226-V257 HydrophobicContact CG1-CG1 4.23Å; I226-V257 HydrophobicContact CG1-CG2 4.11Å; I226-V257 HydrophobicContact CG2-CG1 3.93Å
227	Q	98.3	Very high	95.6	Very high	106 Å²	106	51.8 Å²	51.8	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-41.7	176.8	-60.5	-55.5	-38.3	0	0	111.4	E223 K224 D225 K230 F231	E223-Q227 WeakPolarHBondContact O-CG 3.38Å; E223-Q227 PolarHBondContact O-N 3.1Å; K224-Q227 WeakPolarHBondContact O-CB 3.47Å; K224-Q227 PolarHBondContact O-N 3.34Å; D225-Q227 VanDerWaalsContact C-N 3.34Å; D225-Q227 PolarHBondContact O-N 2.93Å; Q227-K230 PolarHBondContact O-N 3.34Å; Q227-F231 WeakPolarHBondContact O-CB 3.15Å; Q227-F231 PolarHBondContact O-N 3.25Å
228	D	98.5	Very high	96	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.032	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-42.2	177.9	-65.7	-15.7	0	0	0	111.3	F76 H81 L112 K224 D225 F231 G232	F76-D228 HydrophobicContact CD1-CB 3.66Å; F76-D228 HydrophobicContact CE1-CB 4.08Å; H81-D228 IonicContact CD2-OD1 3.99Å; H81-D228 IonicContact CE1-OD1 3.15Å; H81-D228 IonicContact NE2-OD1 2.72Å; H81-D228 PolarHBondContact NE2-OD1 3.11Å; L112-D228 VanDerWaalsContact CD1-O 3.29Å; L112-D228 WeakPolarHBondContact CD1-O 3.45Å; K224-D228 PolarHBondContact O-N 2.8Å; D225-D228 PolarHBondContact O-N 2.86Å; D228-F231 WeakPolarHBondContact O-CB 3.45Å; D228-F231 PolarHBondContact O-N 2.8Å; D228-G232 PolarHBondContact O-N 2.95Å
229	L	98.7	Very high	96.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-43	176.1	-70.9	170.3	0	0	0	111.9	L112 T114 V221 D225 G232 V233 V240 V254 V257 L258	L112-L229 HydrophobicContact CD2-CD2 4.43Å; T114-L229 HydrophobicContact CG2-CD2 4.03Å; V221-L229 HydrophobicContact CG1-CD1 4.07Å; D225-L229 WeakPolarHBondContact O-CB 3.41Å; D225-L229 WeakPolarHBondContact O-CG 3.26Å; D225-L229 PolarHBondContact O-N 3.35Å; L229-G232 PolarHBondContact O-N 3.43Å; L229-V233 WeakPolarHBondContact O-CG2 3.22Å; L229-V233 PolarHBondContact O-N 2.84Å; L229-V240 HydrophobicContact CD2-CB 4.38Å; L229-V240 HydrophobicContact CD2-CG1 3.67Å; L229-V240 HydrophobicContact CD2-CG2 3.78Å; L229-V254 HydrophobicContact CD1-CG1 4.2Å; L229-V254 HydrophobicContact CD2-CG1 4.2Å; L229-V257 HydrophobicContact CB-CG1 4.01Å; L229-V257 HydrophobicContact CD1-CB 4.29Å; L229-V257 HydrophobicContact CD1-CG1 3.85Å; L229-L258 HydrophobicContact CB-CD2 4.25Å; L229-L258 HydrophobicContact CD2-CD2 4.17Å
230	K	98.7	Very high	96.9	Very high	97 Å²	97	41.9 Å²	41.9	42%	0.422	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-44.7	174.9	-75.7	174.6	-179.9	177.9	0	111.5	I226 Q227 G232 V233 E234	I226-K230 HydrophobicContact CG2-CD 4.21Å; I226-K230 WeakPolarHBondContact O-CB 3.48Å; I226-K230 VanDerWaalsContact O-CG 3.29Å; I226-K230 WeakPolarHBondContact O-CG 3.34Å; I226-K230 PolarHBondContact O-N 2.93Å; Q227-K230 PolarHBondContact O-N 3.34Å; K230-G232 VanDerWaalsContact C-N 3.29Å; K230-G232 PolarHBondContact O-N 2.85Å; K230-V233 WeakPolarHBondContact O-CB 3.48Å; K230-V233 PolarHBondContact O-N 3.41Å; K230-V233 VanDerWaalsContact O-N 3.14Å; K230-E234 WeakPolarHBondContact O-CG 3.26Å; K230-E234 PolarHBondContact O-N 3.31Å
231	F	98.8	Very high	97.5	Very high	17 Å²	17	41.5 Å²	41.5	8%	0.075	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-43.8	172	171.1	-95.5	0	0	0	111.3	F76 H81 H84 A85 I88 Q227 D228 V233 E234 Q235	F76-F231 AromaticContact CE1-CD1 3.73Å; F76-F231 HydrophobicContact CE1-CD1 3.73Å; F76-F231 HydrophobicContact CE1-CE1 4.07Å; F76-F231 AromaticContact CZ-CD1 3.69Å; F76-F231 HydrophobicContact CZ-CD1 3.69Å; F76-F231 AromaticContact CZ-CE1 3.7Å; F76-F231 HydrophobicContact CZ-CE1 3.7Å; H81-F231 HydrophobicContact CB-CD2 3.91Å; H81-F231 HydrophobicContact CB-CE2 3.77Å; H81-F231 HydrophobicContact CB-CG 4.39Å; H81-F231 HydrophobicContact CB-CZ 4.15Å; H81-F231 AromaticContact CG-CD2 3.84Å; H81-F231 AromaticContact CG-CG 3.92Å; H81-F231 AromaticContact ND1-CD2 3.77Å; H81-F231 AromaticContact ND1-CG 3.85Å; H81-F231 VanDerWaalsContact O-CZ 3.27Å; H81-F231 WeakPolarHBondContact O-CZ 3.35Å; H84-F231 HydrophobicContact CB-CE1 4.18Å; H84-F231 HydrophobicContact CB-CZ 4.48Å; A85-F231 HydrophobicContact CB-CE2 4.26Å; A85-F231 HydrophobicContact CB-CZ 3.92Å; I88-F231 HydrophobicContact CD1-CE1 4.42Å; Q227-F231 WeakPolarHBondContact O-CB 3.15Å; Q227-F231 PolarHBondContact O-N 3.25Å; D228-F231 WeakPolarHBondContact O-CB 3.45Å; D228-F231 PolarHBondContact O-N 2.8Å; F231-V233 VanDerWaalsContact C-N 3.34Å; F231-V233 PolarHBondContact O-N 2.78Å; F231-E234 WeakPolarHBondContact O-CB 3.41Å; F231-E234 PolarHBondContact O-N 3.46Å; F231-Q235 HydrophobicContact CD1-CG 4.12Å; F231-Q235 HydrophobicContact CD2-CG 4.09Å; F231-Q235 HydrophobicContact CE1-CG 3.66Å; F231-Q235 HydrophobicContact CE2-CG 3.64Å; F231-Q235 HydrophobicContact CG-CG 4.32Å; F231-Q235 HydrophobicContact CZ-CG 3.41Å; F231-Q235 VanDerWaalsContact CZ-CG 3.41Å; F231-Q235 WeakPolarHBondContact O-CB 3.29Å; F231-Q235 VanDerWaalsContact O-CG 3.31Å; F231-Q235 WeakPolarHBondContact O-CG 3.31Å; F231-Q235 PolarHBondContact O-N 3.08Å
232	G	98.8	Very high	97.7	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-57.4	-43.2	174.2	0	0	0	0	0	113.4	D228 L229 K230 Q235 D236 V237	D228-G232 PolarHBondContact O-N 2.95Å; L229-G232 PolarHBondContact O-N 3.43Å; K230-G232 VanDerWaalsContact C-N 3.29Å; K230-G232 PolarHBondContact O-N 2.85Å; G232-Q235 CarbonylContact O-C 3.58Å; G232-Q235 PolarHBondContact O-N 3.23Å; G232-D236 PolarHBondContact O-N 3.49Å; G232-D236 VanDerWaalsContact O-N 3.11Å; G232-V237 WeakPolarHBondContact O-CG2 3.29Å; G232-V237 PolarHBondContact O-N 3.5Å; G232-V237 VanDerWaalsContact O-N 3.1Å
233	V	98.8	Very high	98	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.097	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-40.3	175.3	174.4	0	0	0	0	111.6	L229 K230 F231 Q235 D236 L258 K261 I265	L229-V233 WeakPolarHBondContact O-CG2 3.22Å; L229-V233 PolarHBondContact O-N 2.84Å; K230-V233 WeakPolarHBondContact O-CB 3.48Å; K230-V233 PolarHBondContact O-N 3.41Å; K230-V233 VanDerWaalsContact O-N 3.14Å; F231-V233 VanDerWaalsContact C-N 3.34Å; F231-V233 PolarHBondContact O-N 2.78Å; V233-Q235 VanDerWaalsContact C-N 3.34Å; V233-D236 PolarHBondContact O-N 3.09Å; V233-L258 HydrophobicContact CG2-CB 4.33Å; V233-L258 HydrophobicContact CG2-CD2 3.54Å; V233-K261 HydrophobicContact CG1-CB 3.91Å; V233-K261 HydrophobicContact CG1-CD 3.83Å; V233-K261 HydrophobicContact CG1-CG 3.77Å; V233-I265 HydrophobicContact CG2-CD1 3.94Å
234	E	98.7	Very high	98.1	Very high	134 Å²	134	32.7 Å²	32.7	63%	0.626	16%	0.155	S	C	*	.	H	α-helix	trans	-65.8	-38.1	175.7	-71.4	173.9	-178.1	0	0	112.3	K230 F231 D236	K230-E234 WeakPolarHBondContact O-CG 3.26Å; K230-E234 PolarHBondContact O-N 3.31Å; F231-E234 WeakPolarHBondContact O-CB 3.41Å; F231-E234 PolarHBondContact O-N 3.46Å; E234-D236 VanDerWaalsContact C-N 3.27Å; E234-D236 PolarHBondContact O-N 3.37Å
235	Q	98.8	Very high	98.4	Very high	49 Å²	49	27.5 Å²	27.5	23%	0.229	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.6	177.6	-67.3	-61	-44	0	0	113.8	I88 R92 F231 G232 V233 V237	I88-Q235 HydrophobicContact CD1-CB 3.74Å; I88-Q235 HydrophobicContact CD1-CG 3.9Å; R92-Q235 VanDerWaalsContact CZ-O 3.23Å; R92-Q235 PolarHBondContact NH1-O 3.34Å; R92-Q235 PolarHBondContact NH2-O 2.93Å; F231-Q235 HydrophobicContact CD1-CG 4.12Å; F231-Q235 HydrophobicContact CD2-CG 4.09Å; F231-Q235 HydrophobicContact CE1-CG 3.66Å; F231-Q235 HydrophobicContact CE2-CG 3.64Å; F231-Q235 HydrophobicContact CG-CG 4.32Å; F231-Q235 HydrophobicContact CZ-CG 3.41Å; F231-Q235 VanDerWaalsContact CZ-CG 3.41Å; F231-Q235 WeakPolarHBondContact O-CB 3.29Å; F231-Q235 VanDerWaalsContact O-CG 3.31Å; F231-Q235 WeakPolarHBondContact O-CG 3.31Å; F231-Q235 PolarHBondContact O-N 3.08Å; G232-Q235 CarbonylContact O-C 3.58Å; G232-Q235 PolarHBondContact O-N 3.23Å; V233-Q235 VanDerWaalsContact C-N 3.34Å; Q235-V237 HydrophobicContact CB-CG1 4.41Å
236	D	98.7	Very high	98.4	Very high	75 Å²	75	28.5 Å²	28.5	40%	0.401	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	52	-177.2	-172.1	50.8	0	0	0	112.6	R92 G232 V233 E234 R461	R92-D236 PolarHBondContact NH2-O 2.96Å; R92-D236 IonicContact NH2-OD2 3.79Å; G232-D236 PolarHBondContact O-N 3.49Å; G232-D236 VanDerWaalsContact O-N 3.11Å; V233-D236 PolarHBondContact O-N 3.09Å; E234-D236 VanDerWaalsContact C-N 3.27Å; E234-D236 PolarHBondContact O-N 3.37Å; D236-R461 IonicContact OD2-NH2 3.43Å; D236-R461 PolarHBondContact OD2-NH2 3.42Å
237	V	98.9	Very high	98.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.141	C	C	.	.			trans	-70.6	154	170.6	-56.2	0	0	0	0	110.7	I88 V110 L112 G232 Q235 I265	I88-V237 HydrophobicContact CD1-CG1 4.4Å; V110-V237 HydrophobicContact CG1-CB 4.39Å; V110-V237 HydrophobicContact CG1-CG1 3.95Å; L112-V237 HydrophobicContact CB-CG1 4.48Å; L112-V237 HydrophobicContact CB-CG2 4.3Å; G232-V237 WeakPolarHBondContact O-CG2 3.29Å; G232-V237 PolarHBondContact O-N 3.5Å; G232-V237 VanDerWaalsContact O-N 3.1Å; Q235-V237 HydrophobicContact CB-CG1 4.41Å; V237-I265 HydrophobicContact CG2-CD1 4.16Å; V237-I265 WeakPolarHBondContact O-CG1 3.45Å
238	D	98.9	Very high	98.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.123	C	C	.	.	S	Bend	trans	-90.5	-28.1	-173.9	-61.5	-63.3	0	0	0	112.8	A109 V110 K266 R461 Q462	A109-D238 WeakPolarHBondContact CA-OD2 3.39Å; A109-D238 HydrophobicContact CB-CB 4.13Å; V110-D238 PolarHBondContact N-OD2 3.23Å; V110-D238 PolarHBondContact O-N 3.35Å; D238-K266 PolarHBondContact O-N 3.47Å; D238-R461 VanDerWaalsContact CG-NE 3.29Å; D238-R461 IonicContact OD1-CZ 3.33Å; D238-R461 VanDerWaalsContact OD1-CZ 3.28Å; D238-R461 IonicContact OD1-NE 2.76Å; D238-R461 PolarHBondContact OD1-NE 2.94Å; D238-R461 IonicContact OD1-NH2 3.92Å; D238-R461 PolarHBondContact OD1-NH2 2.91Å; D238-R461 WeakPolarHBondContact OD2-CD 3.44Å; D238-R461 IonicContact OD2-NE 3.93Å; D238-R461 PolarHBondContact OD2-NE 2.96Å; D238-R461 VanDerWaalsContact OD2-NE 3.15Å; D238-Q462 HydrophobicContact CB-CG 3.99Å; D238-Q462 PolarHBondContact O-NE2 2.95Å
239	M	98.9	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	155.8	-176.4	62.5	-162.4	70.8	0	0	112.2	V71 A109 V110 A111 L112 F241 K266 L465	V71-M239 HydrophobicContact CG1-SD 4.06Å; A109-M239 HydrophobicContact CB-CE 3.74Å; V110-M239 PolarHBondContact O-N 3.33Å; A111-M239 WeakPolarHBondContact CA-O 3.47Å; A111-M239 HydrophobicContact CB-CG 3.46Å; A111-M239 VanDerWaalsContact CB-CG 3.46Å; A111-M239 HydrophobicContact CB-SD 4.01Å; L112-M239 PolarHBondContact N-O 3.43Å; M239-F241 HydrophobicContact CG-CD1 4.4Å; M239-F241 HydrophobicContact CG-CE1 3.75Å; M239-F241 HydrophobicContact CG-CZ 4.31Å; M239-F241 HydrophobicContact SD-CE1 3.63Å; M239-F241 HydrophobicContact SD-CZ 3.94Å; M239-K266 CarbonylContact C-O 3.33Å; M239-K266 VanDerWaalsContact CA-O 3.22Å; M239-K266 WeakPolarHBondContact CA-O 3.35Å; M239-K266 HydrophobicContact CB-CB 3.95Å; M239-K266 WeakPolarHBondContact CB-O 3.46Å; M239-L465 HydrophobicContact CE-CD1 3.73Å; M239-L465 HydrophobicContact CE-CD2 4.25Å; M239-L465 HydrophobicContact CE-CG 3.79Å; M239-L465 HydrophobicContact SD-CD1 3.87Å; M239-L465 HydrophobicContact SD-CD2 3.69Å; M239-L465 HydrophobicContact SD-CG 3.89Å
240	V	98.9	Very high	98.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.2	174.1	172.1	0	0	0	0	108.7	L112 T114 L229 A242 V254 L258 I265 K266 I268	L112-V240 CarbonylContact O-C 3.57Å; L112-V240 VanDerWaalsContact O-CA 3.29Å; L112-V240 WeakPolarHBondContact O-CA 3.27Å; T114-V240 HydrophobicContact CG2-CG1 3.94Å; L229-V240 HydrophobicContact CD2-CB 4.38Å; L229-V240 HydrophobicContact CD2-CG1 3.67Å; L229-V240 HydrophobicContact CD2-CG2 3.78Å; V240-A242 HydrophobicContact CG1-CB 4.33Å; V240-V254 HydrophobicContact CG1-CG1 4.22Å; V240-L258 HydrophobicContact CG2-CD2 4.35Å; V240-I265 HydrophobicContact CG2-CG2 3.89Å; V240-K266 PolarHBondContact N-O 2.87Å; V240-I268 PolarHBondContact O-N 2.85Å
241	F	98.9	Very high	98.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	101.6	166.5	-54.1	-20.5	0	0	0	107.3	I48 R73 A111 L112 D113 T114 M239 I268 K270 M291 I325 M360	I48-F241 HydrophobicContact CD1-CZ 4.11Å; I48-F241 HydrophobicContact CG2-CE2 4.09Å; I48-F241 HydrophobicContact CG2-CZ 4.29Å; R73-F241 HydrophobicContact CB-CE2 4.18Å; R73-F241 HydrophobicContact CG-CD2 4.14Å; R73-F241 HydrophobicContact CG-CE2 4.07Å; A111-F241 HydrophobicContact CB-CD1 4.33Å; A111-F241 HydrophobicContact CB-CD2 4.07Å; A111-F241 HydrophobicContact CB-CE1 3.81Å; A111-F241 HydrophobicContact CB-CE2 3.49Å; A111-F241 VanDerWaalsContact CB-CE2 3.49Å; A111-F241 HydrophobicContact CB-CG 4.48Å; A111-F241 HydrophobicContact CB-CZ 3.35Å; L112-F241 PolarHBondContact O-N 3.03Å; D113-F241 WeakPolarHBondContact CA-O 3.46Å; D113-F241 HydrophobicContact CB-CB 4.03Å; D113-F241 HydrophobicContact CB-CD2 4.19Å; T114-F241 PolarHBondContact N-O 3.18Å; T114-F241 PolarHBondContact OG1-O 2.85Å; M239-F241 HydrophobicContact CG-CD1 4.4Å; M239-F241 HydrophobicContact CG-CE1 3.75Å; M239-F241 HydrophobicContact CG-CZ 4.31Å; M239-F241 HydrophobicContact SD-CE1 3.63Å; M239-F241 HydrophobicContact SD-CZ 3.94Å; F241-I268 WeakPolarHBondContact CA-O 3.18Å; F241-I268 HydrophobicContact CD1-CB 3.73Å; F241-I268 HydrophobicContact CD1-CG1 3.83Å; F241-I268 HydrophobicContact CD1-CG2 4.31Å; F241-I268 HydrophobicContact CE1-CB 4.21Å; F241-I268 HydrophobicContact CE1-CG1 3.87Å; F241-K270 HydrophobicContact CB-CD 4.04Å; F241-K270 HydrophobicContact CB-CG 4.33Å; F241-M291 HydrophobicContact CB-CE 4.19Å; F241-M291 HydrophobicContact CD1-CE 4.15Å; F241-M291 HydrophobicContact CD2-CE 3.36Å; F241-M291 HydrophobicContact CE1-CE 4.34Å; F241-M291 HydrophobicContact CE2-CE 3.6Å; F241-M291 HydrophobicContact CG-CE 3.65Å; F241-M291 HydrophobicContact CZ-CE 4.09Å; F241-I325 HydrophobicContact CE1-CD1 3.96Å; F241-I325 HydrophobicContact CZ-CD1 4.02Å; F241-M360 HydrophobicContact CE2-SD 4.35Å
242	A	98.6	Very high	98.3	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.2	-173.8	0	0	0	0	0	110.3	T114 V240 I245 V254 I267 I268 K270	T114-A242 WeakPolarHBondContact OG1-CA 3.37Å; V240-A242 HydrophobicContact CG1-CB 4.33Å; A242-I245 HydrophobicContact CB-CD1 3.92Å; A242-I245 HydrophobicContact CB-CG1 3.91Å; A242-I245 WeakPolarHBondContact O-CG1 3.46Å; A242-V254 HydrophobicContact CB-CG2 4.1Å; A242-I267 HydrophobicContact CB-CG2 4.46Å; A242-I268 PolarHBondContact N-O 2.97Å; A242-K270 VanDerWaalsContact O-CB 3.29Å; A242-K270 WeakPolarHBondContact O-CB 3.46Å; A242-K270 PolarHBondContact O-N 2.95Å
243	S	97.8	Very high	98.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	147.3	-173.5	-57.3	0	0	0	0	112.4	D113 T114 I245 K270 E272	D113-S243 PolarHBondContact OD1-OG 3.36Å; T114-S243 PolarHBondContact O-OG 3.04Å; T114-S243 PolarHBondContact OG1-N 3.48Å; T114-S243 PolarHBondContact OG1-OG 3.17Å; S243-I245 VanDerWaalsContact C-N 3.25Å; S243-I245 PolarHBondContact O-N 3.21Å; S243-K270 PolarHBondContact OG-NZ 2.83Å; S243-E272 WeakPolarHBondContact CA-OE1 3.43Å; S243-E272 WeakPolarHBondContact CB-OE1 3.37Å
244	F	96.3	Very high	98.3	Very high	22 Å²	22	30.8 Å²	30.8	10%	0.096	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	39.1	174.7	-61.7	-88.9	0	0	0	114	P117 E118 R246 E272 D296	P117-F244 HydrophobicContact CG-CB 3.57Å; P117-F244 HydrophobicContact CG-CD2 4.19Å; P117-F244 HydrophobicContact CG-CG 4.05Å; E118-F244 HydrophobicContact CG-CE2 4.05Å; F244-R246 PolarHBondContact O-N 2.9Å; F244-E272 HydrophobicContact CD1-CG 3.67Å; F244-E272 HydrophobicContact CD2-CG 4.42Å; F244-E272 HydrophobicContact CE1-CG 3.88Å; F244-E272 HydrophobicContact CG-CG 3.95Å; F244-E272 HydrophobicContact CZ-CG 4.34Å; F244-E272 PolarHBondContact N-OE1 3.41Å; F244-D296 HydrophobicContact CE1-CB 4.16Å; F244-D296 HydrophobicContact CZ-CB 4.15Å
245	I	98.1	Very high	98.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.142	C	C	.	.			trans	-65.1	122.8	174.3	-65.1	-66	0	0	0	109	A242 S243 D250 V251 K270 I283	A242-I245 HydrophobicContact CB-CD1 3.92Å; A242-I245 HydrophobicContact CB-CG1 3.91Å; A242-I245 WeakPolarHBondContact O-CG1 3.46Å; S243-I245 VanDerWaalsContact C-N 3.25Å; S243-I245 PolarHBondContact O-N 3.21Å; I245-D250 HydrophobicContact CD1-CB 3.64Å; I245-D250 HydrophobicContact CG2-CB 4.38Å; I245-V251 HydrophobicContact CD1-CG2 4.46Å; I245-V251 HydrophobicContact CG2-CG2 3.67Å; I245-K270 PolarHBondContact N-O 3.46Å; I245-I283 HydrophobicContact CG2-CB 4.47Å; I245-I283 HydrophobicContact CG2-CD1 4.1Å; I245-I283 HydrophobicContact CG2-CG1 4.02Å; I245-I283 HydrophobicContact CG2-CG2 3.61Å
246	R	96.6	Very high	98.2	Very high	23 Å²	23	34.4 Å²	34.4	9%	0.087	17%	0.168	C	C	.	.			trans	-109.2	-23.5	-177.6	-71.6	167.4	-65.2	-174.8	0.4	112.8	V216 L218 F244 D250 N273 E275 R279	V216-R246 PolarHBondContact O-NH1 3.17Å; L218-R246 PolarHBondContact O-NH1 3.06Å; L218-R246 PolarHBondContact O-NH2 3.45Å; F244-R246 PolarHBondContact O-N 2.9Å; R246-D250 PolarHBondContact N-OD2 3.01Å; R246-N273 VanDerWaalsContact CG-ND2 3.31Å; R246-N273 WeakPolarHBondContact CG-ND2 3.46Å; R246-E275 HydrophobicContact CB-CB 4.27Å; R246-E275 HydrophobicContact CB-CG 4.08Å; R246-E275 WeakPolarHBondContact CD-OE2 3.23Å; R246-E275 HydrophobicContact CG-CB 4.18Å; R246-E275 HydrophobicContact CG-CG 4.5Å; R246-R279 WeakPolarHBondContact O-CB 3.06Å; R246-R279 WeakPolarHBondContact O-CD 3.34Å
247	K	97.1	Very high	98.2	Very high	72 Å²	72	32.6 Å²	32.6	31%	0.313	16%	0.16	S	C	.	.	S	Bend	trans	-157	162.1	-172.8	57.3	-169.7	169.3	-167.9	0	112.4	A249 D250 R279 E282	K247-A249 HydrophobicContact CD-CB 4.42Å; K247-A249 HydrophobicContact CG-CB 4.26Å; K247-A249 PolarHBondContact O-N 2.97Å; K247-D250 WeakPolarHBondContact CE-OD1 3.27Å; K247-D250 HydrophobicContact CG-CB 4.48Å; K247-D250 VanDerWaalsContact CG-CG 3.49Å; K247-D250 VanDerWaalsContact CG-OD1 3.28Å; K247-D250 WeakPolarHBondContact CG-OD1 3.34Å; K247-D250 WeakPolarHBondContact CG-OD2 3.32Å; K247-D250 PolarHBondContact N-OD2 2.9Å; K247-D250 WeakPolarHBondContact O-CB 3.29Å; K247-D250 PolarHBondContact O-N 3.46Å; K247-D250 VanDerWaalsContact O-N 3.09Å; K247-R279 VanDerWaalsContact CB-NH1 3.32Å; K247-E282 VanDerWaalsContact CA-OE1 3.31Å; K247-E282 WeakPolarHBondContact CA-OE1 3.42Å; K247-E282 WeakPolarHBondContact CB-OE1 3.49Å
248	A	98.5	Very high	98.2	Very high	16 Å²	16	33 Å²	33	13%	0.132	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-36.2	179.8	0	0	0	0	0	113.3	D250 V251 H252 E282 A286	A248-D250 PolarHBondContact O-N 3.12Å; A248-V251 WeakPolarHBondContact O-CB 3.31Å; A248-V251 PolarHBondContact O-N 2.98Å; A248-H252 PolarHBondContact O-CD2 3Å; A248-H252 PolarHBondContact O-N 3.06Å; A248-E282 HydrophobicContact CB-CB 4.11Å; A248-E282 HydrophobicContact CB-CG 4.36Å; A248-E282 WeakPolarHBondContact CB-O 3.47Å; A248-E282 PolarHBondContact N-OE1 2.96Å; A248-A286 HydrophobicContact CB-CB 4.01Å
249	A	98.3	Very high	98.1	Very high	58 Å²	58	34.6 Å²	34.6	48%	0.479	18%	0.179	S	C	.	.	H	α-helix	trans	-58	-36	177.9	0	0	0	0	0	112.8	K247 V251 H252 E253	K247-A249 HydrophobicContact CD-CB 4.42Å; K247-A249 HydrophobicContact CG-CB 4.26Å; K247-A249 PolarHBondContact O-N 2.97Å; A249-V251 VanDerWaalsContact C-N 3.32Å; A249-V251 PolarHBondContact O-N 3.24Å; A249-H252 PolarHBondContact O-N 3.47Å; A249-E253 PolarHBondContact O-N 2.87Å
250	D	98.2	Very high	98.1	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-40.1	177.4	-56.1	-14.7	0	0	0	110.5	A220 I245 R246 K247 A248 E253 V254	A220-D250 HydrophobicContact CB-CB 3.53Å; I245-D250 HydrophobicContact CD1-CB 3.64Å; I245-D250 HydrophobicContact CG2-CB 4.38Å; R246-D250 PolarHBondContact N-OD2 3.01Å; K247-D250 WeakPolarHBondContact CE-OD1 3.27Å; K247-D250 HydrophobicContact CG-CB 4.48Å; K247-D250 VanDerWaalsContact CG-CG 3.49Å; K247-D250 VanDerWaalsContact CG-OD1 3.28Å; K247-D250 WeakPolarHBondContact CG-OD1 3.34Å; K247-D250 WeakPolarHBondContact CG-OD2 3.32Å; K247-D250 PolarHBondContact N-OD2 2.9Å; K247-D250 WeakPolarHBondContact O-CB 3.29Å; K247-D250 PolarHBondContact O-N 3.46Å; K247-D250 VanDerWaalsContact O-N 3.09Å; A248-D250 PolarHBondContact O-N 3.12Å; D250-E253 WeakPolarHBondContact O-CB 3.42Å; D250-E253 PolarHBondContact O-N 2.71Å; D250-V254 PolarHBondContact O-N 3.15Å; D250-V254 VanDerWaalsContact O-N 3.16Å
251	V	98.7	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-41.8	176.6	-170.4	0	0	0	0	111	I245 A248 A249 E253 V254 R255 I267 S269 I283 A286 S287	I245-V251 HydrophobicContact CD1-CG2 4.46Å; I245-V251 HydrophobicContact CG2-CG2 3.67Å; A248-V251 WeakPolarHBondContact O-CB 3.31Å; A248-V251 PolarHBondContact O-N 2.98Å; A249-V251 VanDerWaalsContact C-N 3.32Å; A249-V251 PolarHBondContact O-N 3.24Å; V251-E253 VanDerWaalsContact C-N 3.32Å; V251-E253 PolarHBondContact O-N 3.43Å; V251-V254 PolarHBondContact O-N 3.39Å; V251-R255 PolarHBondContact O-N 2.83Å; V251-I267 HydrophobicContact CG1-CG2 4Å; V251-S269 WeakPolarHBondContact CG2-OG 3.5Å; V251-I283 HydrophobicContact CG2-CG2 4.11Å; V251-A286 HydrophobicContact CB-CB 3.92Å; V251-A286 HydrophobicContact CG1-CB 4.03Å; V251-A286 WeakPolarHBondContact CG1-O 3.48Å; V251-A286 HydrophobicContact CG2-CB 4.26Å; V251-S287 WeakPolarHBondContact CG1-OG 3.27Å
252	H	98.5	Very high	98	Very high	103 Å²	103	49 Å²	49	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-65.5	-35.3	176.7	-62.1	-41	0	0	0	112.3	A248 A249 R255 K256	A248-H252 PolarHBondContact O-CD2 3Å; A248-H252 PolarHBondContact O-N 3.06Å; A249-H252 PolarHBondContact O-N 3.47Å; H252-R255 PolarHBondContact O-N 3.22Å; H252-K256 VanDerWaalsContact O-CB 3.29Å; H252-K256 WeakPolarHBondContact O-CB 3.28Å; H252-K256 PolarHBondContact O-N 3.42Å
253	E	98.1	Very high	98	Very high	76 Å²	76	54.2 Å²	54.2	36%	0.355	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-49.8	174.8	-172.7	170.5	-162.6	0	0	111.2	V221 A249 D250 V251 R255 K256 V257	V221-E253 HydrophobicContact CB-CG 4.06Å; V221-E253 HydrophobicContact CG2-CB 4.18Å; V221-E253 HydrophobicContact CG2-CG 3.86Å; A249-E253 PolarHBondContact O-N 2.87Å; D250-E253 WeakPolarHBondContact O-CB 3.42Å; D250-E253 PolarHBondContact O-N 2.71Å; V251-E253 VanDerWaalsContact C-N 3.32Å; V251-E253 PolarHBondContact O-N 3.43Å; E253-R255 VanDerWaalsContact C-N 3.32Å; E253-R255 PolarHBondContact O-N 3.22Å; E253-K256 PolarHBondContact O-N 3Å; E253-V257 VanDerWaalsContact O-CG2 3.31Å; E253-V257 WeakPolarHBondContact O-CG2 3.46Å; E253-V257 PolarHBondContact O-N 2.89Å
254	V	98.5	Very high	98	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	29%	0.288	C	S	.	.	H	α-helix	trans	-55.5	-48.7	173.7	178.2	0	0	0	0	110.6	V221 L229 V240 A242 D250 V251 K256 V257 L258 I267	V221-V254 HydrophobicContact CG2-CG2 3.55Å; L229-V254 HydrophobicContact CD1-CG1 4.2Å; L229-V254 HydrophobicContact CD2-CG1 4.2Å; V240-V254 HydrophobicContact CG1-CG1 4.22Å; A242-V254 HydrophobicContact CB-CG2 4.1Å; D250-V254 PolarHBondContact O-N 3.15Å; D250-V254 VanDerWaalsContact O-N 3.16Å; V251-V254 PolarHBondContact O-N 3.39Å; V254-K256 VanDerWaalsContact C-N 3.33Å; V254-K256 PolarHBondContact O-N 3.42Å; V254-V257 PolarHBondContact O-N 3.2Å; V254-L258 HydrophobicContact CG1-CD1 4.44Å; V254-L258 WeakPolarHBondContact O-CG 3.27Å; V254-L258 PolarHBondContact O-N 3.32Å; V254-I267 HydrophobicContact CB-CD1 4.3Å; V254-I267 HydrophobicContact CG1-CD1 3.98Å; V254-I267 HydrophobicContact CG1-CG1 4.29Å; V254-I267 HydrophobicContact CG1-CG2 4.17Å
255	R	98.4	Very high	98.1	Very high	79 Å²	79	57.5 Å²	57.5	30%	0.298	29%	0.285	S	S	.	.	H	α-helix	trans	-60.5	-41.7	-179.4	-163.6	173.1	-63.9	-77.2	2.9	112.7	V251 H252 E253 I267 A286 D288	V251-R255 PolarHBondContact O-N 2.83Å; H252-R255 PolarHBondContact O-N 3.22Å; E253-R255 VanDerWaalsContact C-N 3.32Å; E253-R255 PolarHBondContact O-N 3.22Å; R255-I267 VanDerWaalsContact CA-CD1 3.44Å; R255-I267 HydrophobicContact CB-CD1 3.42Å; R255-I267 VanDerWaalsContact CB-CD1 3.42Å; R255-I267 HydrophobicContact CG-CD1 3.85Å; R255-A286 PolarHBondContact NH2-O 3.22Å; R255-D288 IonicContact CZ-OD2 2.77Å; R255-D288 IonicContact NH1-OD2 3.77Å; R255-D288 PolarHBondContact NH1-OD2 2.93Å; R255-D288 VanDerWaalsContact NH1-OD2 3.12Å; R255-D288 IonicContact NH2-OD2 3.03Å; R255-D288 PolarHBondContact NH2-OD2 3.26Å
256	K	98.2	Very high	98.2	Very high	180 Å²	180	59.5 Å²	59.5	78%	0.783	29%	0.293	S	S	*	.	H	α-helix	trans	-66.5	-40.4	179.1	-174.5	-179.7	178.8	-175.8	0	111.4	H252 E253 V254 L258 G259	H252-K256 VanDerWaalsContact O-CB 3.29Å; H252-K256 WeakPolarHBondContact O-CB 3.28Å; H252-K256 PolarHBondContact O-N 3.42Å; E253-K256 PolarHBondContact O-N 3Å; V254-K256 VanDerWaalsContact C-N 3.33Å; V254-K256 PolarHBondContact O-N 3.42Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 2.75Å; K256-G259 PolarHBondContact O-N 2.86Å
257	V	97.8	Very high	98.3	Very high	37 Å²	37	58.4 Å²	58.4	22%	0.224	29%	0.289	C	S	.	.	H	α-helix	trans	-64.8	-36.2	179.6	168.8	0	0	0	0	112.2	I226 L229 E253 V254 G259	I226-V257 HydrophobicContact CB-CG1 4.29Å; I226-V257 HydrophobicContact CG1-CG1 4.23Å; I226-V257 HydrophobicContact CG1-CG2 4.11Å; I226-V257 HydrophobicContact CG2-CG1 3.93Å; L229-V257 HydrophobicContact CB-CG1 4.01Å; L229-V257 HydrophobicContact CD1-CB 4.29Å; L229-V257 HydrophobicContact CD1-CG1 3.85Å; E253-V257 VanDerWaalsContact O-CG2 3.31Å; E253-V257 WeakPolarHBondContact O-CG2 3.46Å; E253-V257 PolarHBondContact O-N 2.89Å; V254-V257 PolarHBondContact O-N 3.2Å; V257-G259 PolarHBondContact O-N 3.03Å
258	L	98.3	Very high	98.4	Very high	9 Å²	9	55 Å²	55	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-25.4	175.8	-66.7	173.8	0	0	0	113.1	L229 V233 V240 V254 K256 G262 I265 I267	L229-L258 HydrophobicContact CB-CD2 4.25Å; L229-L258 HydrophobicContact CD2-CD2 4.17Å; V233-L258 HydrophobicContact CG2-CB 4.33Å; V233-L258 HydrophobicContact CG2-CD2 3.54Å; V240-L258 HydrophobicContact CG2-CD2 4.35Å; V254-L258 HydrophobicContact CG1-CD1 4.44Å; V254-L258 WeakPolarHBondContact O-CG 3.27Å; V254-L258 PolarHBondContact O-N 3.32Å; K256-L258 VanDerWaalsContact C-N 3.33Å; K256-L258 PolarHBondContact O-N 2.75Å; L258-G262 WeakPolarHBondContact O-CA 3.44Å; L258-G262 PolarHBondContact O-N 3.2Å; L258-G262 VanDerWaalsContact O-N 3.17Å; L258-I265 HydrophobicContact CD1-CB 4.22Å; L258-I265 HydrophobicContact CD1-CG2 4.24Å; L258-I265 HydrophobicContact CD2-CD1 4.33Å; L258-I267 HydrophobicContact CD1-CD1 4.14Å; L258-I267 HydrophobicContact CD1-CG1 4.12Å
259	G	98	Very high	98.4	Very high	36 Å²	36	54.3 Å²	54.3	37%	0.371	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	-168.5	176.2	0	0	0	0	0	114.4	K256 V257 K261 G262 K263	K256-G259 PolarHBondContact O-N 2.86Å; V257-G259 PolarHBondContact O-N 3.03Å; G259-K261 VanDerWaalsContact C-N 3.34Å; G259-K261 PolarHBondContact O-N 3.16Å; G259-G262 PolarHBondContact O-N 3.31Å; G259-K263 PolarHBondContact O-N 3Å; G259-K263 VanDerWaalsContact O-N 3.13Å
260	E	98.1	Very high	98.4	Very high	139 Å²	139	52.2 Å²	52.2	65%	0.65	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-36.5	-175.2	-176.5	59	-160.1	0	0	112.8	G262 K263	E260-G262 VanDerWaalsContact C-N 3.32Å; E260-G262 PolarHBondContact O-N 3.12Å; E260-K263 WeakPolarHBondContact O-CB 3.09Å; E260-K263 WeakPolarHBondContact O-CD 3.46Å; E260-K263 VanDerWaalsContact O-CG 3.29Å; E260-K263 WeakPolarHBondContact O-CG 3.49Å; E260-K263 PolarHBondContact O-N 3.13Å; E260-K263 VanDerWaalsContact OE1-CD 3.29Å; E260-K263 WeakPolarHBondContact OE1-CD 3.2Å; E260-K263 WeakPolarHBondContact OE1-CE 3.27Å; E260-K263 IonicContact OE1-NZ 3.54Å; E260-K263 PolarHBondContact OE1-NZ 3.05Å
261	K	97.8	Very high	98.5	Very high	163 Å²	163	51.9 Å²	51.9	71%	0.709	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-34.1	178.1	-172.1	177.6	172.7	-171.8	0	111.9	V233 G259	V233-K261 HydrophobicContact CG1-CB 3.91Å; V233-K261 HydrophobicContact CG1-CD 3.83Å; V233-K261 HydrophobicContact CG1-CG 3.77Å; G259-K261 VanDerWaalsContact C-N 3.34Å; G259-K261 PolarHBondContact O-N 3.16Å
262	G	98.4	Very high	98.4	Very high	1 Å²	1	52 Å²	52	1%	0.01	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	5.4	179.3	0	0	0	0	0	114.9	L258 G259 E260 N264 I265	L258-G262 WeakPolarHBondContact O-CA 3.44Å; L258-G262 PolarHBondContact O-N 3.2Å; L258-G262 VanDerWaalsContact O-N 3.17Å; G259-G262 PolarHBondContact O-N 3.31Å; E260-G262 VanDerWaalsContact C-N 3.32Å; E260-G262 PolarHBondContact O-N 3.12Å; G262-N264 PolarHBondContact O-N 3.31Å; G262-I265 VanDerWaalsContact O-CB 3.29Å; G262-I265 WeakPolarHBondContact O-CB 3.11Å; G262-I265 WeakPolarHBondContact O-CG1 3.5Å; G262-I265 PolarHBondContact O-N 3.22Å
263	K	98.3	Very high	98.2	Very high	111 Å²	111	47.8 Å²	47.8	48%	0.483	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.4	-170.4	72.4	-177.1	174.7	-176.5	0	115.6	G259 E260	G259-K263 PolarHBondContact O-N 3Å; G259-K263 VanDerWaalsContact O-N 3.13Å; E260-K263 WeakPolarHBondContact O-CB 3.09Å; E260-K263 WeakPolarHBondContact O-CD 3.46Å; E260-K263 VanDerWaalsContact O-CG 3.29Å; E260-K263 WeakPolarHBondContact O-CG 3.49Å; E260-K263 PolarHBondContact O-N 3.13Å; E260-K263 VanDerWaalsContact OE1-CD 3.29Å; E260-K263 WeakPolarHBondContact OE1-CD 3.2Å; E260-K263 WeakPolarHBondContact OE1-CE 3.27Å; E260-K263 IonicContact OE1-NZ 3.54Å; E260-K263 PolarHBondContact OE1-NZ 3.05Å
264	N	98.4	Very high	98.1	Very high	88 Å²	88	48.5 Å²	48.5	47%	0.471	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.7	-178.6	-67.2	-28.5	0	0	0	113.3	G262 K266 Q462	G262-N264 PolarHBondContact O-N 3.31Å; N264-K266 PolarHBondContact O-N 3.06Å; N264-Q462 PolarHBondContact O-NE2 2.85Å
265	I	98.9	Very high	97.9	Very high	5 Å²	5	52 Å²	52	3%	0.026	25%	0.247	C	C	.	.	S	Bend	trans	-66.3	131.6	175.3	-62.2	178.8	0	0	0	108.4	V233 V237 V240 L258 G262	V233-I265 HydrophobicContact CG2-CD1 3.94Å; V237-I265 HydrophobicContact CG2-CD1 4.16Å; V237-I265 WeakPolarHBondContact O-CG1 3.45Å; V240-I265 HydrophobicContact CG2-CG2 3.89Å; L258-I265 HydrophobicContact CD1-CB 4.22Å; L258-I265 HydrophobicContact CD1-CG2 4.24Å; L258-I265 HydrophobicContact CD2-CD1 4.33Å; G262-I265 VanDerWaalsContact O-CB 3.29Å; G262-I265 WeakPolarHBondContact O-CB 3.11Å; G262-I265 WeakPolarHBondContact O-CG1 3.5Å; G262-I265 PolarHBondContact O-N 3.22Å
266	K	98.9	Very high	97.9	Very high	44 Å²	44	48.2 Å²	48.2	19%	0.191	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.9	179.8	-58.3	-52.4	-175.7	-176.1	0	110.9	D238 M239 V240 N264 I268 D288 Q462 L465	D238-K266 PolarHBondContact O-N 3.47Å; M239-K266 CarbonylContact C-O 3.33Å; M239-K266 VanDerWaalsContact CA-O 3.22Å; M239-K266 WeakPolarHBondContact CA-O 3.35Å; M239-K266 HydrophobicContact CB-CB 3.95Å; M239-K266 WeakPolarHBondContact CB-O 3.46Å; V240-K266 PolarHBondContact N-O 2.87Å; N264-K266 PolarHBondContact O-N 3.06Å; K266-I268 HydrophobicContact CB-CD1 4.48Å; K266-D288 HydrophobicContact CB-CB 4.01Å; K266-D288 HydrophobicContact CD-CB 3.98Å; K266-D288 IonicContact NZ-OD1 3.89Å; K266-Q462 HydrophobicContact CG-CG 4.18Å; K266-L465 HydrophobicContact CB-CD1 4.2Å; K266-L465 HydrophobicContact CG-CD1 4.24Å
267	I	98.9	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112	174.9	-55	176.3	0	0	0	109	A242 V251 V254 R255 L258 D288 G289	A242-I267 HydrophobicContact CB-CG2 4.46Å; V251-I267 HydrophobicContact CG1-CG2 4Å; V254-I267 HydrophobicContact CB-CD1 4.3Å; V254-I267 HydrophobicContact CG1-CD1 3.98Å; V254-I267 HydrophobicContact CG1-CG1 4.29Å; V254-I267 HydrophobicContact CG1-CG2 4.17Å; R255-I267 VanDerWaalsContact CA-CD1 3.44Å; R255-I267 HydrophobicContact CB-CD1 3.42Å; R255-I267 VanDerWaalsContact CB-CD1 3.42Å; R255-I267 HydrophobicContact CG-CD1 3.85Å; L258-I267 HydrophobicContact CD1-CD1 4.14Å; L258-I267 HydrophobicContact CD1-CG1 4.12Å; I267-D288 PolarHBondContact N-OD2 3.43Å; I267-D288 WeakPolarHBondContact O-CB 3.34Å; I267-D288 PolarHBondContact O-N 3.1Å; I267-G289 PolarHBondContact O-N 3Å
268	I	98.9	Very high	97.9	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.5	175	-48.6	-56.4	0	0	0	107.9	V240 F241 A242 K266 G289 I290 M291 I325 L465	V240-I268 PolarHBondContact O-N 2.85Å; F241-I268 WeakPolarHBondContact CA-O 3.18Å; F241-I268 HydrophobicContact CD1-CB 3.73Å; F241-I268 HydrophobicContact CD1-CG1 3.83Å; F241-I268 HydrophobicContact CD1-CG2 4.31Å; F241-I268 HydrophobicContact CE1-CB 4.21Å; F241-I268 HydrophobicContact CE1-CG1 3.87Å; A242-I268 PolarHBondContact N-O 2.97Å; K266-I268 HydrophobicContact CB-CD1 4.48Å; I268-G289 WeakPolarHBondContact CA-O 3.41Å; I268-I290 VanDerWaalsContact CG2-C 3.42Å; I268-M291 HydrophobicContact CG2-CB 4.04Å; I268-I325 HydrophobicContact CG2-CD1 3.94Å; I268-L465 HydrophobicContact CD1-CD1 4.03Å; I268-L465 HydrophobicContact CD1-CD2 4.43Å
269	S	98.9	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125	179.3	-64.6	0	0	0	0	110.4	V251 S287 G289 I290 M291	V251-S269 WeakPolarHBondContact CG2-OG 3.5Å; S269-S287 WeakPolarHBondContact CB-OG 3.47Å; S269-S287 PolarHBondContact OG-OG 3.28Å; S269-G289 PolarHBondContact N-O 3.46Å; S269-G289 VanDerWaalsContact N-O 3.08Å; S269-I290 WeakPolarHBondContact O-CA 2.85Å; S269-M291 PolarHBondContact O-N 3.21Å
270	K	98.8	Very high	98	Very high	15 Å²	15	50.5 Å²	50.5	7%	0.065	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.8	172.1	-63.9	168	56.4	-169.3	0	108.7	D113 F241 A242 S243 I245 E272 M291 A293	D113-K270 IonicContact OD1-NZ 2.66Å; D113-K270 PolarHBondContact OD1-NZ 2.72Å; D113-K270 IonicContact OD2-NZ 3.71Å; F241-K270 HydrophobicContact CB-CD 4.04Å; F241-K270 HydrophobicContact CB-CG 4.33Å; A242-K270 VanDerWaalsContact O-CB 3.29Å; A242-K270 WeakPolarHBondContact O-CB 3.46Å; A242-K270 PolarHBondContact O-N 2.95Å; S243-K270 PolarHBondContact OG-NZ 2.83Å; I245-K270 PolarHBondContact N-O 3.46Å; K270-E272 WeakPolarHBondContact CE-OE1 3.47Å; K270-E272 WeakPolarHBondContact CE-OE2 3.46Å; K270-E272 IonicContact NZ-OE1 3.7Å; K270-E272 IonicContact NZ-OE2 2.87Å; K270-M291 WeakPolarHBondContact CA-O 3.34Å; K270-M291 HydrophobicContact CD-SD 4.28Å; K270-M291 HydrophobicContact CG-CB 4Å; K270-M291 HydrophobicContact CG-CG 4.35Å; K270-M291 HydrophobicContact CG-SD 3.89Å; K270-A293 HydrophobicContact CB-CB 4.1Å
271	I	98.7	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.3	174.9	-54.7	-60.4	0	0	0	107.9	V277 F280 I283 I290 M291 A293 M313	I271-V277 HydrophobicContact CG2-CG2 3.71Å; I271-F280 HydrophobicContact CD1-CD2 4.25Å; I271-F280 HydrophobicContact CG1-CD2 3.93Å; I271-F280 HydrophobicContact CG1-CE2 3.93Å; I271-I283 HydrophobicContact CD1-CD1 3.81Å; I271-I283 HydrophobicContact CD1-CG2 3.94Å; I271-I290 HydrophobicContact CG1-CD1 4.39Å; I271-I290 HydrophobicContact CG1-CG2 4.11Å; I271-M291 PolarHBondContact N-O 3.15Å; I271-A293 PolarHBondContact O-N 2.9Å; I271-M313 HydrophobicContact CB-CE 4.36Å; I271-M313 HydrophobicContact CB-SD 3.53Å; I271-M313 VanDerWaalsContact CB-SD 3.53Å; I271-M313 HydrophobicContact CG1-SD 3.83Å; I271-M313 HydrophobicContact CG2-CE 4.19Å; I271-M313 HydrophobicContact CG2-SD 3.57Å; I271-M313 VanDerWaalsContact CG2-SD 3.57Å
272	E	97.2	Very high	98	Very high	2 Å²	2	43 Å²	43	1%	0.009	19%	0.194	C	C	.	.			trans	-139.7	13.6	-170.9	59.5	-160.1	153.7	0	0	114.7	S243 F244 K270 A293 D296 L297 E300	S243-E272 WeakPolarHBondContact CA-OE1 3.43Å; S243-E272 WeakPolarHBondContact CB-OE1 3.37Å; F244-E272 HydrophobicContact CD1-CG 3.67Å; F244-E272 HydrophobicContact CD2-CG 4.42Å; F244-E272 HydrophobicContact CE1-CG 3.88Å; F244-E272 HydrophobicContact CG-CG 3.95Å; F244-E272 HydrophobicContact CZ-CG 4.34Å; F244-E272 PolarHBondContact N-OE1 3.41Å; K270-E272 WeakPolarHBondContact CE-OE1 3.47Å; K270-E272 WeakPolarHBondContact CE-OE2 3.46Å; K270-E272 IonicContact NZ-OE1 3.7Å; K270-E272 IonicContact NZ-OE2 2.87Å; E272-A293 HydrophobicContact CB-CB 3.9Å; E272-A293 WeakPolarHBondContact OE2-CB 3.02Å; E272-D296 HydrophobicContact CB-CB 3.8Å; E272-D296 HydrophobicContact CG-CB 4.22Å; E272-D296 CarbonylContact O-C 3.5Å; E272-L297 WeakPolarHBondContact O-CA 3.42Å; E272-L297 PolarHBondContact O-N 2.84Å; E272-E300 WeakPolarHBondContact O-CG 3.35Å
273	N	95.6	Very high	98.1	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.08	19%	0.194	C	C	.	.	S	Bend	trans	-144.1	171	171	63.7	40.2	0	0	0	111.6	R246 E275 G276 V277 E300	R246-N273 VanDerWaalsContact CG-ND2 3.31Å; R246-N273 WeakPolarHBondContact CG-ND2 3.46Å; N273-E275 PolarHBondContact O-N 2.87Å; N273-E275 PolarHBondContact OD1-N 2.92Å; N273-G276 PolarHBondContact O-N 3.01Å; N273-G276 PolarHBondContact OD1-N 2.66Å; N273-V277 WeakPolarHBondContact O-CG2 3.49Å; N273-V277 PolarHBondContact O-N 2.97Å; N273-E300 HydrophobicContact CB-CB 4.18Å; N273-E300 HydrophobicContact CB-CG 4Å
274	H	95.3	Very high	98.1	Very high	90 Å²	90	38.1 Å²	38.1	42%	0.417	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-37.1	-177.2	-167.3	178.8	0	0	0	112.8	V277 R278 I301	H274-V277 PolarHBondContact O-N 3.15Å; H274-R278 WeakPolarHBondContact O-CG 3.5Å; H274-R278 PolarHBondContact O-N 2.84Å; H274-I301 HydrophobicContact CB-CG2 3.83Å
275	E	95.1	Very high	98.1	Very high	76 Å²	76	41.4 Å²	41.4	36%	0.355	19%	0.186	S	C	.	.	H	α-helix	trans	-64.9	-45	179.6	-170.5	-178.9	173.3	0	0	111.5	R246 N273 V277 R278 R279	R246-E275 HydrophobicContact CB-CB 4.27Å; R246-E275 HydrophobicContact CB-CG 4.08Å; R246-E275 WeakPolarHBondContact CD-OE2 3.23Å; R246-E275 HydrophobicContact CG-CB 4.18Å; R246-E275 HydrophobicContact CG-CG 4.5Å; N273-E275 PolarHBondContact O-N 2.87Å; N273-E275 PolarHBondContact OD1-N 2.92Å; E275-V277 VanDerWaalsContact C-N 3.29Å; E275-V277 PolarHBondContact O-N 3.49Å; E275-R278 PolarHBondContact O-N 2.95Å; E275-R279 HydrophobicContact CG-CG 4.33Å; E275-R279 PolarHBondContact O-N 3.44Å; E275-R279 IonicContact OE1-NH1 2.97Å; E275-R279 PolarHBondContact OE1-NH1 2.99Å
276	G	97.4	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-37.5	176.1	0	0	0	0	0	112.7	N273 F280	N273-G276 PolarHBondContact O-N 3.01Å; N273-G276 PolarHBondContact OD1-N 2.66Å; G276-F280 WeakPolarHBondContact O-CA 3.38Å; G276-F280 PolarHBondContact O-N 3.34Å; G276-F280 VanDerWaalsContact O-N 3.14Å
277	V	98.4	Very high	98.1	Very high	29 Å²	29	40 Å²	40	18%	0.176	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-42.3	172.9	174.7	0	0	0	0	111.5	I271 N273 H274 E275 F280 L297 A309 M312	I271-V277 HydrophobicContact CG2-CG2 3.71Å; N273-V277 WeakPolarHBondContact O-CG2 3.49Å; N273-V277 PolarHBondContact O-N 2.97Å; H274-V277 PolarHBondContact O-N 3.15Å; E275-V277 VanDerWaalsContact C-N 3.29Å; E275-V277 PolarHBondContact O-N 3.49Å; V277-F280 WeakPolarHBondContact O-CB 3.48Å; V277-L297 HydrophobicContact CG2-CD1 3.85Å; V277-A309 HydrophobicContact CG2-CB 4.36Å; V277-M312 HydrophobicContact CG1-CE 3.88Å
278	R	97.9	Very high	98.1	Very high	197 Å²	197	41.5 Å²	41.5	74%	0.743	19%	0.191	S	C	*	.	H	α-helix	trans	-68.4	-35.2	179.9	-72.5	-177.7	68.9	105.8	3	112.8	H274 E275 F280	H274-R278 WeakPolarHBondContact O-CG 3.5Å; H274-R278 PolarHBondContact O-N 2.84Å; E275-R278 PolarHBondContact O-N 2.95Å; R278-F280 VanDerWaalsContact C-N 3.35Å
279	R	98.4	Very high	98.1	Very high	83 Å²	83	41.5 Å²	41.5	31%	0.313	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	20.9	-177.7	-59.6	-174	70	170.9	2.9	112.5	R246 K247 E275 D281 E282 I283	R246-R279 WeakPolarHBondContact O-CB 3.06Å; R246-R279 WeakPolarHBondContact O-CD 3.34Å; K247-R279 VanDerWaalsContact CB-NH1 3.32Å; E275-R279 HydrophobicContact CG-CG 4.33Å; E275-R279 PolarHBondContact O-N 3.44Å; E275-R279 IonicContact OE1-NH1 2.97Å; E275-R279 PolarHBondContact OE1-NH1 2.99Å; R279-D281 VanDerWaalsContact C-N 3.29Å; R279-D281 PolarHBondContact O-N 3.43Å; R279-E282 HydrophobicContact CB-CG 3.98Å; R279-E282 IonicContact CZ-OE1 3.64Å; R279-E282 VanDerWaalsContact CZ-OE1 3.27Å; R279-E282 IonicContact CZ-OE2 3.85Å; R279-E282 VanDerWaalsContact NE-CD 3.28Å; R279-E282 IonicContact NE-OE1 2.7Å; R279-E282 PolarHBondContact NE-OE1 3.33Å; R279-E282 VanDerWaalsContact NE-OE1 3.14Å; R279-E282 IonicContact NE-OE2 3.65Å; R279-E282 PolarHBondContact NE-OE2 2.84Å; R279-E282 VanDerWaalsContact NH2-CD 3.29Å; R279-E282 IonicContact NH2-OE1 2.89Å; R279-E282 PolarHBondContact NH2-OE1 3.47Å; R279-E282 IonicContact NH2-OE2 2.76Å; R279-E282 PolarHBondContact NH2-OE2 3.15Å; R279-E282 WeakPolarHBondContact O-CG 3.17Å; R279-E282 PolarHBondContact O-N 3.42Å; R279-I283 HydrophobicContact CB-CD1 4.24Å; R279-I283 WeakPolarHBondContact O-CG1 3.44Å; R279-I283 PolarHBondContact O-N 3.33Å
280	F	98.9	Very high	98.1	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-39	-169.7	-175.6	-100.2	0	0	0	114	I271 G276 V277 R278 I283 L284 I290 M312 M313 R316	I271-F280 HydrophobicContact CD1-CD2 4.25Å; I271-F280 HydrophobicContact CG1-CD2 3.93Å; I271-F280 HydrophobicContact CG1-CE2 3.93Å; G276-F280 WeakPolarHBondContact O-CA 3.38Å; G276-F280 PolarHBondContact O-N 3.34Å; G276-F280 VanDerWaalsContact O-N 3.14Å; V277-F280 WeakPolarHBondContact O-CB 3.48Å; R278-F280 VanDerWaalsContact C-N 3.35Å; F280-I283 PolarHBondContact O-N 3.48Å; F280-L284 HydrophobicContact CD1-CB 4.48Å; F280-L284 HydrophobicContact CE1-CB 4.17Å; F280-L284 HydrophobicContact CE1-CD2 3.86Å; F280-L284 HydrophobicContact CE1-CG 4.49Å; F280-L284 HydrophobicContact CZ-CB 4.44Å; F280-L284 HydrophobicContact CZ-CD2 4.47Å; F280-L284 VanDerWaalsContact O-CB 3.24Å; F280-L284 WeakPolarHBondContact O-CB 3.31Å; F280-L284 PolarHBondContact O-N 2.96Å; F280-I290 HydrophobicContact CE2-CB 4.44Å; F280-I290 HydrophobicContact CE2-CD1 4Å; F280-I290 HydrophobicContact CE2-CG1 3.89Å; F280-I290 HydrophobicContact CE2-CG2 3.77Å; F280-I290 HydrophobicContact CZ-CD1 4.42Å; F280-I290 HydrophobicContact CZ-CG1 3.89Å; F280-I290 HydrophobicContact CZ-CG2 4.14Å; F280-M312 HydrophobicContact CB-CE 4.38Å; F280-M312 HydrophobicContact CD1-SD 4.07Å; F280-M312 HydrophobicContact CG-CE 4.34Å; F280-M312 HydrophobicContact CG-SD 4.36Å; F280-M313 HydrophobicContact CD2-CG 3.67Å; F280-M313 HydrophobicContact CD2-SD 3.88Å; F280-M313 HydrophobicContact CE1-CB 4.38Å; F280-M313 HydrophobicContact CE1-CG 4.28Å; F280-M313 HydrophobicContact CE2-CB 3.8Å; F280-M313 HydrophobicContact CE2-CG 3.33Å; F280-M313 HydrophobicContact CE2-SD 3.6Å; F280-M313 VanDerWaalsContact CE2-SD 3.6Å; F280-M313 HydrophobicContact CG-CG 4.27Å; F280-M313 HydrophobicContact CZ-CB 3.67Å; F280-M313 HydrophobicContact CZ-CG 3.66Å; F280-M313 HydrophobicContact CZ-SD 4.43Å; F280-R316 HydrophobicContact CD1-CB 4.27Å; F280-R316 HydrophobicContact CE1-CB 3.65Å; F280-R316 HydrophobicContact CE1-CG 4.4Å
281	D	98.8	Very high	98.1	Very high	83 Å²	83	40.8 Å²	40.8	44%	0.444	19%	0.188	S	C	.	.	H	α-helix	trans	-66.6	-43.9	-175.9	-68.8	-32.1	0	0	0	112.9	R279 I283 L284 E285 R316	R279-D281 VanDerWaalsContact C-N 3.29Å; R279-D281 PolarHBondContact O-N 3.43Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 3.1Å; D281-L284 PolarHBondContact O-N 3.37Å; D281-E285 WeakPolarHBondContact O-CB 3.42Å; D281-E285 PolarHBondContact O-N 2.61Å; D281-R316 WeakPolarHBondContact OD1-CD 3.48Å; D281-R316 IonicContact OD1-CZ 3.27Å; D281-R316 IonicContact OD1-NE 3.14Å; D281-R316 IonicContact OD1-NH1 2.89Å; D281-R316 PolarHBondContact OD1-NH1 3.31Å; D281-R316 IonicContact OD2-CZ 3.14Å; D281-R316 IonicContact OD2-NH1 2.74Å; D281-R316 PolarHBondContact OD2-NH1 2.81Å
282	E	98.8	Very high	98.1	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	19%	0.188	S	C	.	.	H	α-helix	trans	-68	-34	177.3	58.5	163.6	-105.5	0	0	111.8	K247 A248 R279 A286	K247-E282 VanDerWaalsContact CA-OE1 3.31Å; K247-E282 WeakPolarHBondContact CA-OE1 3.42Å; K247-E282 WeakPolarHBondContact CB-OE1 3.49Å; A248-E282 HydrophobicContact CB-CB 4.11Å; A248-E282 HydrophobicContact CB-CG 4.36Å; A248-E282 WeakPolarHBondContact CB-O 3.47Å; A248-E282 PolarHBondContact N-OE1 2.96Å; R279-E282 HydrophobicContact CB-CG 3.98Å; R279-E282 IonicContact CZ-OE1 3.64Å; R279-E282 VanDerWaalsContact CZ-OE1 3.27Å; R279-E282 IonicContact CZ-OE2 3.85Å; R279-E282 VanDerWaalsContact NE-CD 3.28Å; R279-E282 IonicContact NE-OE1 2.7Å; R279-E282 PolarHBondContact NE-OE1 3.33Å; R279-E282 VanDerWaalsContact NE-OE1 3.14Å; R279-E282 IonicContact NE-OE2 3.65Å; R279-E282 PolarHBondContact NE-OE2 2.84Å; R279-E282 VanDerWaalsContact NH2-CD 3.29Å; R279-E282 IonicContact NH2-OE1 2.89Å; R279-E282 PolarHBondContact NH2-OE1 3.47Å; R279-E282 IonicContact NH2-OE2 2.76Å; R279-E282 PolarHBondContact NH2-OE2 3.15Å; R279-E282 WeakPolarHBondContact O-CG 3.17Å; R279-E282 PolarHBondContact O-N 3.42Å; E282-A286 PolarHBondContact O-N 3.37Å
283	I	98.9	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-50.3	175.2	-63.3	162.2	0	0	0	109.1	I245 V251 I271 R279 F280 D281 E285 A286 S287 I290	I245-I283 HydrophobicContact CG2-CB 4.47Å; I245-I283 HydrophobicContact CG2-CD1 4.1Å; I245-I283 HydrophobicContact CG2-CG1 4.02Å; I245-I283 HydrophobicContact CG2-CG2 3.61Å; V251-I283 HydrophobicContact CG2-CG2 4.11Å; I271-I283 HydrophobicContact CD1-CD1 3.81Å; I271-I283 HydrophobicContact CD1-CG2 3.94Å; R279-I283 HydrophobicContact CB-CD1 4.24Å; R279-I283 WeakPolarHBondContact O-CG1 3.44Å; R279-I283 PolarHBondContact O-N 3.33Å; F280-I283 PolarHBondContact O-N 3.48Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 3.1Å; I283-E285 PolarHBondContact O-N 3.35Å; I283-A286 PolarHBondContact O-N 2.99Å; I283-A286 VanDerWaalsContact O-N 3.08Å; I283-S287 WeakPolarHBondContact O-CB 3.5Å; I283-S287 PolarHBondContact O-N 3.47Å; I283-S287 PolarHBondContact O-OG 2.7Å; I283-I290 HydrophobicContact CG2-CD1 4.11Å
284	L	98.8	Very high	98.3	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-55.7	-39.7	178.2	176.1	61.6	0	0	0	111.3	F280 D281 I290 R316 A320 K322	F280-L284 HydrophobicContact CD1-CB 4.48Å; F280-L284 HydrophobicContact CE1-CB 4.17Å; F280-L284 HydrophobicContact CE1-CD2 3.86Å; F280-L284 HydrophobicContact CE1-CG 4.49Å; F280-L284 HydrophobicContact CZ-CB 4.44Å; F280-L284 HydrophobicContact CZ-CD2 4.47Å; F280-L284 VanDerWaalsContact O-CB 3.24Å; F280-L284 WeakPolarHBondContact O-CB 3.31Å; F280-L284 PolarHBondContact O-N 2.96Å; D281-L284 PolarHBondContact O-N 3.37Å; L284-I290 HydrophobicContact CD1-CD1 4.5Å; L284-I290 HydrophobicContact CD1-CG1 3.79Å; L284-R316 HydrophobicContact CD2-CB 4.21Å; L284-A320 HydrophobicContact CD2-CB 3.96Å; L284-A320 HydrophobicContact CG-CB 4.42Å; L284-K322 HydrophobicContact CD1-CB 4.12Å; L284-K322 HydrophobicContact CD1-CD 3.9Å; L284-K322 WeakPolarHBondContact O-CD 3.41Å; L284-K322 PolarHBondContact O-NZ 2.82Å
285	E	98.8	Very high	98.2	Very high	157 Å²	157	38.4 Å²	38.4	73%	0.734	18%	0.181	S	C	*	.	H	α-helix	trans	-62.2	-46.4	176	-174.2	175.1	-168.3	0	0	112.3	D281 I283 K322	D281-E285 WeakPolarHBondContact O-CB 3.42Å; D281-E285 PolarHBondContact O-N 2.61Å; I283-E285 PolarHBondContact O-N 3.35Å; E285-K322 PolarHBondContact O-NZ 2.9Å
286	A	98.8	Very high	98.1	Very high	15 Å²	15	37 Å²	37	12%	0.124	18%	0.176	C	C	.	.	H	α-helix	trans	-75	-24.8	-177.8	0	0	0	0	0	114.6	A248 V251 R255 E282 I283	A248-A286 HydrophobicContact CB-CB 4.01Å; V251-A286 HydrophobicContact CB-CB 3.92Å; V251-A286 HydrophobicContact CG1-CB 4.03Å; V251-A286 WeakPolarHBondContact CG1-O 3.48Å; V251-A286 HydrophobicContact CG2-CB 4.26Å; R255-A286 PolarHBondContact NH2-O 3.22Å; E282-A286 PolarHBondContact O-N 3.37Å; I283-A286 PolarHBondContact O-N 2.99Å; I283-A286 VanDerWaalsContact O-N 3.08Å
287	S	98.9	Very high	98.1	Very high	3 Å²	3	37 Å²	37	2%	0.021	18%	0.176	C	C	.	.	S	Bend	trans	-88.6	157.6	-174.2	-55.1	0	0	0	0	113.2	V251 S269 I283 G289 K322	V251-S287 WeakPolarHBondContact CG1-OG 3.27Å; S269-S287 WeakPolarHBondContact CB-OG 3.47Å; S269-S287 PolarHBondContact OG-OG 3.28Å; I283-S287 WeakPolarHBondContact O-CB 3.5Å; I283-S287 PolarHBondContact O-N 3.47Å; I283-S287 PolarHBondContact O-OG 2.7Å; S287-G289 VanDerWaalsContact C-N 3.33Å; S287-G289 WeakPolarHBondContact CB-O 3.22Å; S287-K322 WeakPolarHBondContact O-CD 3.4Å; S287-K322 WeakPolarHBondContact O-CE 3.09Å; S287-K322 PolarHBondContact O-NZ 2.81Å
288	D	98.9	Very high	98	Very high	33 Å²	33	36.6 Å²	36.6	18%	0.176	18%	0.178	C	C	.	.	S	Bend	trans	-79.3	-21.8	169.1	-69.1	-82.7	0	0	0	111.7	R255 K266 I267 P323	R255-D288 IonicContact CZ-OD2 2.77Å; R255-D288 IonicContact NH1-OD2 3.77Å; R255-D288 PolarHBondContact NH1-OD2 2.93Å; R255-D288 VanDerWaalsContact NH1-OD2 3.12Å; R255-D288 IonicContact NH2-OD2 3.03Å; R255-D288 PolarHBondContact NH2-OD2 3.26Å; K266-D288 HydrophobicContact CB-CB 4.01Å; K266-D288 HydrophobicContact CD-CB 3.98Å; K266-D288 IonicContact NZ-OD1 3.89Å; I267-D288 PolarHBondContact N-OD2 3.43Å; I267-D288 WeakPolarHBondContact O-CB 3.34Å; I267-D288 PolarHBondContact O-N 3.1Å; D288-P323 VanDerWaalsContact O-CD 3.22Å; D288-P323 WeakPolarHBondContact O-CD 3.47Å
289	G	98.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-176.7	176.9	0	0	0	0	0	111.8	I267 I268 S269 S287 P323	I267-G289 PolarHBondContact O-N 3Å; I268-G289 WeakPolarHBondContact CA-O 3.41Å; S269-G289 PolarHBondContact N-O 3.46Å; S269-G289 VanDerWaalsContact N-O 3.08Å; S287-G289 VanDerWaalsContact C-N 3.33Å; S287-G289 WeakPolarHBondContact CB-O 3.22Å; G289-P323 CarbonylContact C-O 3.52Å; G289-P323 VanDerWaalsContact CA-O 3.26Å; G289-P323 WeakPolarHBondContact CA-O 3.1Å
290	I	98.9	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.2	-174.7	-66	-61.7	0	0	0	111.1	I268 S269 I271 F280 I283 L284 M313 P323 V324 I325	I268-I290 VanDerWaalsContact CG2-C 3.42Å; S269-I290 WeakPolarHBondContact O-CA 2.85Å; I271-I290 HydrophobicContact CG1-CD1 4.39Å; I271-I290 HydrophobicContact CG1-CG2 4.11Å; F280-I290 HydrophobicContact CE2-CB 4.44Å; F280-I290 HydrophobicContact CE2-CD1 4Å; F280-I290 HydrophobicContact CE2-CG1 3.89Å; F280-I290 HydrophobicContact CE2-CG2 3.77Å; F280-I290 HydrophobicContact CZ-CD1 4.42Å; F280-I290 HydrophobicContact CZ-CG1 3.89Å; F280-I290 HydrophobicContact CZ-CG2 4.14Å; I283-I290 HydrophobicContact CG2-CD1 4.11Å; L284-I290 HydrophobicContact CD1-CD1 4.5Å; L284-I290 HydrophobicContact CD1-CG1 3.79Å; I290-M313 HydrophobicContact CG2-SD 4.43Å; I290-P323 PolarHBondContact N-O 3.23Å; I290-V324 HydrophobicContact CB-CG2 4.42Å; I290-V324 HydrophobicContact CG2-CG2 4.31Å; I290-V324 CarbonylContact O-C 3.33Å; I290-V324 VanDerWaalsContact O-CA 3.3Å; I290-V324 WeakPolarHBondContact O-CA 3.39Å; I290-I325 PolarHBondContact O-N 2.94Å
291	M	98.9	Very high	97.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.9	162.7	-179.2	-178.3	-62	0	0	109.9	F241 I268 S269 K270 I271 A293 I325 A327 M360	F241-M291 HydrophobicContact CB-CE 4.19Å; F241-M291 HydrophobicContact CD1-CE 4.15Å; F241-M291 HydrophobicContact CD2-CE 3.36Å; F241-M291 HydrophobicContact CE1-CE 4.34Å; F241-M291 HydrophobicContact CE2-CE 3.6Å; F241-M291 HydrophobicContact CG-CE 3.65Å; F241-M291 HydrophobicContact CZ-CE 4.09Å; I268-M291 HydrophobicContact CG2-CB 4.04Å; S269-M291 PolarHBondContact O-N 3.21Å; K270-M291 WeakPolarHBondContact CA-O 3.34Å; K270-M291 HydrophobicContact CD-SD 4.28Å; K270-M291 HydrophobicContact CG-CB 4Å; K270-M291 HydrophobicContact CG-CG 4.35Å; K270-M291 HydrophobicContact CG-SD 3.89Å; I271-M291 PolarHBondContact N-O 3.15Å; M291-A293 HydrophobicContact CG-CB 4.41Å; M291-A293 PolarHBondContact O-N 3.18Å; M291-A293 HydrophobicContact SD-CB 4.5Å; M291-I325 HydrophobicContact CB-CB 4.18Å; M291-I325 HydrophobicContact CB-CD1 4.45Å; M291-I325 HydrophobicContact CE-CB 4.46Å; M291-I325 HydrophobicContact CE-CD1 3.75Å; M291-I325 HydrophobicContact CE-CG2 4.21Å; M291-I325 HydrophobicContact CG-CB 4.08Å; M291-I325 HydrophobicContact CG-CG2 4.25Å; M291-A327 HydrophobicContact CG-CB 3.72Å; M291-A327 HydrophobicContact SD-CB 3.73Å; M291-M360 HydrophobicContact CE-CE 4.12Å; M291-M360 HydrophobicContact CE-SD 3.64Å; M291-M360 HydrophobicContact SD-CE 3.87Å; M291-M360 HydrophobicContact SD-SD 4.18Å
292	V	98.9	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	91.1	167.4	-177.1	0	0	0	0	107.2	R294 Q310 M313 V324 I325 A327	V292-R294 HydrophobicContact CG1-CG 3.76Å; V292-R294 PolarHBondContact O-N 3.43Å; V292-Q310 HydrophobicContact CG1-CB 4.01Å; V292-Q310 HydrophobicContact CG1-CG 4.24Å; V292-M313 HydrophobicContact CB-CE 4.15Å; V292-M313 HydrophobicContact CG1-CE 3.63Å; V292-M313 HydrophobicContact CG2-CB 3.95Å; V292-M313 HydrophobicContact CG2-CE 3.8Å; V292-M313 HydrophobicContact CG2-SD 4.1Å; V292-V324 HydrophobicContact CG2-CG2 4.13Å; V292-I325 PolarHBondContact N-O 3.27Å; V292-A327 PolarHBondContact O-N 3.36Å
293	A	98.1	Very high	97.2	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	84.1	-176.1	0	0	0	0	0	110.2	K270 I271 E272 M291 G295 L297	K270-A293 HydrophobicContact CB-CB 4.1Å; I271-A293 PolarHBondContact O-N 2.9Å; E272-A293 HydrophobicContact CB-CB 3.9Å; E272-A293 WeakPolarHBondContact OE2-CB 3.02Å; M291-A293 HydrophobicContact CG-CB 4.41Å; M291-A293 PolarHBondContact O-N 3.18Å; M291-A293 HydrophobicContact SD-CB 4.5Å; A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 3.09Å; A293-L297 VanDerWaalsContact O-CB 3.26Å; A293-L297 WeakPolarHBondContact O-CB 3.48Å; A293-L297 PolarHBondContact O-N 3.38Å
294	R	98.1	Very high	97.2	Very high	32 Å²	32	32 Å²	32	12%	0.121	18%	0.184	C	C	.	.	H	α-helix	trans	-69.1	-22.4	-164.8	-59.9	-179.4	-55.9	172.4	9.6	115.1	V292 G298 V306 A327 T328 M330 D347	V292-R294 HydrophobicContact CG1-CG 3.76Å; V292-R294 PolarHBondContact O-N 3.43Å; R294-G298 PolarHBondContact O-N 3.14Å; R294-V306 HydrophobicContact CB-CG1 4.16Å; R294-V306 HydrophobicContact CG-CG1 4.06Å; R294-A327 WeakPolarHBondContact CB-O 3.42Å; R294-A327 WeakPolarHBondContact CG-O 3.39Å; R294-A327 PolarHBondContact N-O 2.81Å; R294-A327 PolarHBondContact NE-O 3Å; R294-T328 PolarHBondContact NE-O 3Å; R294-T328 PolarHBondContact NH2-O 3.24Å; R294-M330 VanDerWaalsContact NH2-CG 3.32Å; R294-D347 IonicContact CZ-OD1 3.1Å; R294-D347 IonicContact CZ-OD2 3.25Å; R294-D347 VanDerWaalsContact NH1-CG 3.29Å; R294-D347 IonicContact NH1-OD1 2.73Å; R294-D347 PolarHBondContact NH1-OD1 3.46Å; R294-D347 IonicContact NH1-OD2 3.55Å; R294-D347 PolarHBondContact NH1-OD2 3.19Å; R294-D347 IonicContact NH2-OD1 2.91Å; R294-D347 IonicContact NH2-OD2 3.22Å; R294-D347 PolarHBondContact NH2-OD2 2.9Å
295	G	92.9	Very high	97.2	Very high	21 Å²	21	36.4 Å²	36.4	22%	0.216	20%	0.203	C	C	.	.	H	α-helix	trans	-59.2	-72.6	179.4	0	0	0	0	0	110.9	A293 L297 G298	A293-G295 VanDerWaalsContact C-N 3.3Å; A293-G295 PolarHBondContact O-N 3.09Å; G295-L297 VanDerWaalsContact C-N 3.3Å; G295-L297 PolarHBondContact O-N 3.29Å; G295-G298 PolarHBondContact O-N 3.2Å
296	D	94.8	Very high	97.2	Very high	46 Å²	46	29.8 Å²	29.8	25%	0.246	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-37.7	176.2	-77.2	-75.7	0	0	0	112.4	N210 F244 E272 G298 I299 E300	N210-D296 PolarHBondContact ND2-OD1 2.8Å; F244-D296 HydrophobicContact CE1-CB 4.16Å; F244-D296 HydrophobicContact CZ-CB 4.15Å; E272-D296 HydrophobicContact CB-CB 3.8Å; E272-D296 HydrophobicContact CG-CB 4.22Å; E272-D296 CarbonylContact O-C 3.5Å; D296-G298 VanDerWaalsContact C-N 3.3Å; D296-G298 PolarHBondContact O-N 2.6Å; D296-I299 PolarHBondContact O-N 3.32Å; D296-E300 WeakPolarHBondContact O-CB 3.26Å; D296-E300 WeakPolarHBondContact O-CG 3.36Å; D296-E300 PolarHBondContact O-N 3.26Å
297	L	97.1	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-41.9	177.9	-169.9	58.9	0	0	0	112.3	E272 V277 A293 G295 I299 E300 I301 V306 A309 M313	E272-L297 WeakPolarHBondContact O-CA 3.42Å; E272-L297 PolarHBondContact O-N 2.84Å; V277-L297 HydrophobicContact CG2-CD1 3.85Å; A293-L297 VanDerWaalsContact O-CB 3.26Å; A293-L297 WeakPolarHBondContact O-CB 3.48Å; A293-L297 PolarHBondContact O-N 3.38Å; G295-L297 VanDerWaalsContact C-N 3.3Å; G295-L297 PolarHBondContact O-N 3.29Å; L297-I299 PolarHBondContact O-N 3.41Å; L297-E300 PolarHBondContact O-N 3.01Å; L297-I301 HydrophobicContact CD1-CD1 4.04Å; L297-I301 HydrophobicContact CD1-CG1 3.93Å; L297-I301 HydrophobicContact CG-CD1 4.04Å; L297-I301 HydrophobicContact CG-CG1 3.98Å; L297-I301 WeakPolarHBondContact O-CG1 3.28Å; L297-I301 PolarHBondContact O-N 3.28Å; L297-V306 HydrophobicContact CD2-CG1 4.47Å; L297-A309 HydrophobicContact CD2-CB 4.05Å; L297-M313 HydrophobicContact CD2-CE 3.94Å
298	G	96.6	Very high	97.2	Very high	22 Å²	22	38.7 Å²	38.7	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-72.4	-8.1	179.9	0	0	0	0	0	114.8	R294 G295 D296 I301 V306	R294-G298 PolarHBondContact O-N 3.14Å; G295-G298 PolarHBondContact O-N 3.2Å; D296-G298 VanDerWaalsContact C-N 3.3Å; D296-G298 PolarHBondContact O-N 2.6Å; G298-I301 CarbonylContact C-O 3.59Å; G298-I301 VanDerWaalsContact O-O 3.09Å; G298-V306 VanDerWaalsContact CA-CG2 3.43Å
299	I	94.8	Very high	97.2	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-96	-44.4	170.9	-53	165.2	0	0	0	109.4	Y175 N210 P212 D296 L297	Y175-I299 HydrophobicContact CD1-CG2 4.38Å; Y175-I299 HydrophobicContact CD2-CG2 4.33Å; Y175-I299 HydrophobicContact CG-CG2 3.87Å; N210-I299 HydrophobicContact CB-CB 4.35Å; N210-I299 HydrophobicContact CB-CG2 3.51Å; P212-I299 WeakPolarHBondContact CG-O 3.5Å; D296-I299 PolarHBondContact O-N 3.32Å; L297-I299 PolarHBondContact O-N 3.41Å
300	E	94.6	Very high	97.2	Very high	25 Å²	25	38 Å²	38	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-71.6	-29.8	-177.8	-75.1	-66.6	140.6	0	0	114.1	N210 L211 E272 N273 D296 L297	N210-E300 WeakPolarHBondContact CB-OE1 3.44Å; N210-E300 PolarHBondContact ND2-OE1 3.3Å; L211-E300 PolarHBondContact N-OE1 2.93Å; E272-E300 WeakPolarHBondContact O-CG 3.35Å; N273-E300 HydrophobicContact CB-CB 4.18Å; N273-E300 HydrophobicContact CB-CG 4Å; D296-E300 WeakPolarHBondContact O-CB 3.26Å; D296-E300 WeakPolarHBondContact O-CG 3.36Å; D296-E300 PolarHBondContact O-N 3.26Å; L297-E300 PolarHBondContact O-N 3.01Å
301	I	95.9	Very high	97.2	Very high	18 Å²	18	42.2 Å²	42.2	9%	0.092	23%	0.228	C	C	.	.	S	Bend	trans	-121.4	156.9	167.6	63.6	162.4	0	0	0	109.5	H274 L297 G298 A303 K305 V306 A309	H274-I301 HydrophobicContact CB-CG2 3.83Å; L297-I301 HydrophobicContact CD1-CD1 4.04Å; L297-I301 HydrophobicContact CD1-CG1 3.93Å; L297-I301 HydrophobicContact CG-CD1 4.04Å; L297-I301 HydrophobicContact CG-CG1 3.98Å; L297-I301 WeakPolarHBondContact O-CG1 3.28Å; L297-I301 PolarHBondContact O-N 3.28Å; G298-I301 CarbonylContact C-O 3.59Å; G298-I301 VanDerWaalsContact O-O 3.09Å; I301-A303 PolarHBondContact O-N 2.88Å; I301-K305 HydrophobicContact CD1-CB 4.18Å; I301-V306 HydrophobicContact CD1-CG2 4.37Å; I301-V306 HydrophobicContact CG1-CG2 4.31Å; I301-A309 HydrophobicContact CD1-CB 4.25Å
302	P	95.1	Very high	97.1	Very high	65 Å²	65	44.4 Å²	44.4	42%	0.422	24%	0.239	S	C	.	.			trans	-52.6	130.5	175.9	-26.2	33.5	0	0	0	111.9	E304 K305	P302-E304 VanDerWaalsContact CB-CD 3.45Å; P302-E304 WeakPolarHBondContact CB-OE1 3.35Å; P302-E304 VanDerWaalsContact CB-OE2 3.29Å; P302-E304 WeakPolarHBondContact CB-OE2 3.48Å; P302-E304 PolarHBondContact O-N 2.69Å; P302-E304 VanDerWaalsContact O-N 3.12Å; P302-K305 HydrophobicContact CB-CD 4.22Å; P302-K305 HydrophobicContact CB-CG 4.31Å; P302-K305 HydrophobicContact CG-CD 4.12Å; P302-K305 WeakPolarHBondContact O-CB 3.38Å; P302-K305 PolarHBondContact O-N 2.88Å
303	A	95.3	Very high	97.1	Very high	67 Å²	67	44.4 Å²	44.4	55%	0.554	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-54.7	-35.2	-173.3	0	0	0	0	0	112.8	I301 K305 V306	I301-A303 PolarHBondContact O-N 2.88Å; A303-K305 PolarHBondContact O-N 2.89Å; A303-K305 VanDerWaalsContact O-N 3.12Å; A303-V306 WeakPolarHBondContact O-CB 3.18Å; A303-V306 WeakPolarHBondContact O-CG2 3.43Å; A303-V306 PolarHBondContact O-N 2.97Å
304	E	98	Very high	97.2	Very high	130 Å²	130	44.3 Å²	44.3	61%	0.607	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-67.3	-8.9	176.9	75.1	-78.7	-176.1	0	0	114	P302 F307	P302-E304 VanDerWaalsContact CB-CD 3.45Å; P302-E304 WeakPolarHBondContact CB-OE1 3.35Å; P302-E304 VanDerWaalsContact CB-OE2 3.29Å; P302-E304 WeakPolarHBondContact CB-OE2 3.48Å; P302-E304 PolarHBondContact O-N 2.69Å; P302-E304 VanDerWaalsContact O-N 3.12Å; E304-F307 WeakPolarHBondContact O-CD1 3.4Å; E304-F307 WeakPolarHBondContact O-CE1 3.39Å
305	K	98.3	Very high	97.2	Very high	104 Å²	104	44.6 Å²	44.6	45%	0.452	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-101.2	-9.7	176.3	-61.9	-179	-174.9	-67.2	0	113.3	I301 P302 A303 F307 L308 A309	I301-K305 HydrophobicContact CD1-CB 4.18Å; P302-K305 HydrophobicContact CB-CD 4.22Å; P302-K305 HydrophobicContact CB-CG 4.31Å; P302-K305 HydrophobicContact CG-CD 4.12Å; P302-K305 WeakPolarHBondContact O-CB 3.38Å; P302-K305 PolarHBondContact O-N 2.88Å; A303-K305 PolarHBondContact O-N 2.89Å; A303-K305 VanDerWaalsContact O-N 3.12Å; K305-F307 VanDerWaalsContact C-N 3.28Å; K305-F307 PolarHBondContact O-N 3.45Å; K305-L308 HydrophobicContact CB-CD1 4.49Å; K305-L308 WeakPolarHBondContact O-CB 3.18Å; K305-L308 PolarHBondContact O-N 3.24Å; K305-A309 PolarHBondContact O-N 2.93Å
306	V	98.7	Very high	97.5	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.103	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-39.1	-176.9	175.6	0	0	0	0	111.5	R294 L297 G298 I301 A303 L308 A309 Q310	R294-V306 HydrophobicContact CB-CG1 4.16Å; R294-V306 HydrophobicContact CG-CG1 4.06Å; L297-V306 HydrophobicContact CD2-CG1 4.47Å; G298-V306 VanDerWaalsContact CA-CG2 3.43Å; I301-V306 HydrophobicContact CD1-CG2 4.37Å; I301-V306 HydrophobicContact CG1-CG2 4.31Å; A303-V306 WeakPolarHBondContact O-CB 3.18Å; A303-V306 WeakPolarHBondContact O-CG2 3.43Å; A303-V306 PolarHBondContact O-N 2.97Å; V306-L308 VanDerWaalsContact C-N 3.27Å; V306-L308 PolarHBondContact O-N 3.41Å; V306-A309 PolarHBondContact O-N 3.03Å; V306-A309 VanDerWaalsContact O-N 3.16Å; V306-Q310 WeakPolarHBondContact O-CB 3.47Å; V306-Q310 PolarHBondContact O-N 2.74Å
307	F	98.7	Very high	97.7	Very high	111 Å²	111	45.1 Å²	45.1	49%	0.487	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-32.3	178.5	84.3	-89.2	0	0	0	112.7	E304 K305 K311	E304-F307 WeakPolarHBondContact O-CD1 3.4Å; E304-F307 WeakPolarHBondContact O-CE1 3.39Å; K305-F307 VanDerWaalsContact C-N 3.28Å; K305-F307 PolarHBondContact O-N 3.45Å; F307-K311 HydrophobicContact CD2-CD 4.4Å; F307-K311 WeakPolarHBondContact O-CB 3.14Å; F307-K311 WeakPolarHBondContact O-CG 3.21Å; F307-K311 PolarHBondContact O-N 2.76Å
308	L	98.9	Very high	97.8	Very high	95 Å²	95	45.7 Å²	45.7	50%	0.497	25%	0.246	S	C	.	.	H	α-helix	trans	-65.8	-46.2	174.8	-61.8	170.3	0	0	0	110	K305 V306 M312	K305-L308 HydrophobicContact CB-CD1 4.49Å; K305-L308 WeakPolarHBondContact O-CB 3.18Å; K305-L308 PolarHBondContact O-N 3.24Å; V306-L308 VanDerWaalsContact C-N 3.27Å; V306-L308 PolarHBondContact O-N 3.41Å; L308-M312 WeakPolarHBondContact O-CB 3.48Å; L308-M312 PolarHBondContact O-N 3.46Å
309	A	98.8	Very high	97.8	Very high	7 Å²	7	50.9 Å²	50.9	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-44.6	178.2	0	0	0	0	0	111.5	V277 L297 I301 K305 V306 M312 M313	V277-A309 HydrophobicContact CG2-CB 4.36Å; L297-A309 HydrophobicContact CD2-CB 4.05Å; I301-A309 HydrophobicContact CD1-CB 4.25Å; K305-A309 PolarHBondContact O-N 2.93Å; V306-A309 PolarHBondContact O-N 3.03Å; V306-A309 VanDerWaalsContact O-N 3.16Å; A309-M312 PolarHBondContact O-N 3.2Å; A309-M313 HydrophobicContact CB-CE 3.95Å; A309-M313 WeakPolarHBondContact O-CB 3.46Å; A309-M313 WeakPolarHBondContact O-CE 3.43Å; A309-M313 VanDerWaalsContact O-CG 3.25Å; A309-M313 WeakPolarHBondContact O-CG 3.4Å; A309-M313 PolarHBondContact O-N 3.46Å
310	Q	98.9	Very high	98	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-55.7	175.7	177.3	179.6	-56.9	0	0	111.7	V292 V306 M312 M313 I314 C326 D354	V292-Q310 HydrophobicContact CG1-CB 4.01Å; V292-Q310 HydrophobicContact CG1-CG 4.24Å; V306-Q310 WeakPolarHBondContact O-CB 3.47Å; V306-Q310 PolarHBondContact O-N 2.74Å; Q310-M312 VanDerWaalsContact C-N 3.3Å; Q310-M312 PolarHBondContact O-N 3.35Å; Q310-M313 PolarHBondContact O-N 3.32Å; Q310-I314 HydrophobicContact CG-CD1 3.71Å; Q310-I314 WeakPolarHBondContact O-CG1 3.42Å; Q310-I314 PolarHBondContact O-N 3.33Å; Q310-C326 PolarHBondContact OE1-SG 3.11Å; Q310-D354 PolarHBondContact NE2-OD2 2.9Å
311	K	98.9	Very high	98.1	Very high	87 Å²	87	51.7 Å²	51.7	38%	0.378	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-38.4	-178.4	-70.6	-177.8	-174	-56.5	0	111.8	F307 G315 D354	F307-K311 HydrophobicContact CD2-CD 4.4Å; F307-K311 WeakPolarHBondContact O-CB 3.14Å; F307-K311 WeakPolarHBondContact O-CG 3.21Å; F307-K311 PolarHBondContact O-N 2.76Å; K311-G315 PolarHBondContact O-N 2.89Å; K311-D354 WeakPolarHBondContact CG-OD2 3.45Å; K311-D354 IonicContact NZ-OD1 3.72Å; K311-D354 PolarHBondContact NZ-OD1 2.98Å; K311-D354 IonicContact NZ-OD2 3.29Å; K311-D354 PolarHBondContact NZ-OD2 2.68Å
312	M	98.9	Very high	98.3	Very high	48 Å²	48	53.3 Å²	53.3	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-50.6	175.2	179.9	-80.1	-70.7	0	0	111.6	V277 F280 L308 A309 Q310 G315 R316	V277-M312 HydrophobicContact CG1-CE 3.88Å; F280-M312 HydrophobicContact CB-CE 4.38Å; F280-M312 HydrophobicContact CD1-SD 4.07Å; F280-M312 HydrophobicContact CG-CE 4.34Å; F280-M312 HydrophobicContact CG-SD 4.36Å; L308-M312 WeakPolarHBondContact O-CB 3.48Å; L308-M312 PolarHBondContact O-N 3.46Å; A309-M312 PolarHBondContact O-N 3.2Å; Q310-M312 VanDerWaalsContact C-N 3.3Å; Q310-M312 PolarHBondContact O-N 3.35Å; M312-G315 PolarHBondContact O-N 3.26Å; M312-R316 WeakPolarHBondContact O-CG 3.3Å; M312-R316 PolarHBondContact O-N 3.15Å; M312-R316 VanDerWaalsContact SD-CD 3.54Å; M312-R316 HydrophobicContact SD-CG 4.32Å; M312-R316 PolarHBondContact SD-NE 2.97Å; M312-R316 VanDerWaalsContact SD-NE 3.35Å
313	M	98.9	Very high	98.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-44.6	-177.7	-70.4	-172.3	-88.2	0	0	111.6	I271 F280 I290 V292 L297 A309 Q310 R316 C317	I271-M313 HydrophobicContact CB-CE 4.36Å; I271-M313 HydrophobicContact CB-SD 3.53Å; I271-M313 VanDerWaalsContact CB-SD 3.53Å; I271-M313 HydrophobicContact CG1-SD 3.83Å; I271-M313 HydrophobicContact CG2-CE 4.19Å; I271-M313 HydrophobicContact CG2-SD 3.57Å; I271-M313 VanDerWaalsContact CG2-SD 3.57Å; F280-M313 HydrophobicContact CD2-CG 3.67Å; F280-M313 HydrophobicContact CD2-SD 3.88Å; F280-M313 HydrophobicContact CE1-CB 4.38Å; F280-M313 HydrophobicContact CE1-CG 4.28Å; F280-M313 HydrophobicContact CE2-CB 3.8Å; F280-M313 HydrophobicContact CE2-CG 3.33Å; F280-M313 HydrophobicContact CE2-SD 3.6Å; F280-M313 VanDerWaalsContact CE2-SD 3.6Å; F280-M313 HydrophobicContact CG-CG 4.27Å; F280-M313 HydrophobicContact CZ-CB 3.67Å; F280-M313 HydrophobicContact CZ-CG 3.66Å; F280-M313 HydrophobicContact CZ-SD 4.43Å; I290-M313 HydrophobicContact CG2-SD 4.43Å; V292-M313 HydrophobicContact CB-CE 4.15Å; V292-M313 HydrophobicContact CG1-CE 3.63Å; V292-M313 HydrophobicContact CG2-CB 3.95Å; V292-M313 HydrophobicContact CG2-CE 3.8Å; V292-M313 HydrophobicContact CG2-SD 4.1Å; L297-M313 HydrophobicContact CD2-CE 3.94Å; A309-M313 HydrophobicContact CB-CE 3.95Å; A309-M313 WeakPolarHBondContact O-CB 3.46Å; A309-M313 WeakPolarHBondContact O-CE 3.43Å; A309-M313 VanDerWaalsContact O-CG 3.25Å; A309-M313 WeakPolarHBondContact O-CG 3.4Å; A309-M313 PolarHBondContact O-N 3.46Å; Q310-M313 PolarHBondContact O-N 3.32Å; M313-R316 PolarHBondContact O-N 3.4Å; M313-C317 WeakPolarHBondContact O-CB 3.4Å; M313-C317 PolarHBondContact O-N 3.36Å; M313-C317 PolarHBondContact O-SG 2.98Å
314	I	98.9	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-48.5	177.3	-66.6	170.3	0	0	0	110.6	Q310 R316 C317 N318 V324 D354 A356	Q310-I314 HydrophobicContact CG-CD1 3.71Å; Q310-I314 WeakPolarHBondContact O-CG1 3.42Å; Q310-I314 PolarHBondContact O-N 3.33Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 2.95Å; I314-C317 PolarHBondContact O-N 3.37Å; I314-N318 WeakPolarHBondContact O-CB 3.43Å; I314-N318 PolarHBondContact O-N 2.87Å; I314-N318 PolarHBondContact O-OD1 3.14Å; I314-V324 HydrophobicContact CB-CG1 4.29Å; I314-V324 HydrophobicContact CG1-CG1 4.09Å; I314-V324 HydrophobicContact CG1-CG2 3.83Å; I314-V324 HydrophobicContact CG2-CG1 4.08Å; I314-D354 HydrophobicContact CD1-CB 3.9Å; I314-D354 HydrophobicContact CG2-CB 4.34Å; I314-D354 WeakPolarHBondContact CG2-O 3.46Å; I314-A356 HydrophobicContact CD1-CB 4.2Å
315	G	98.8	Very high	98.7	Very high	38 Å²	38	40.9 Å²	40.9	39%	0.392	21%	0.206	S	C	.	.	H	α-helix	trans	-58.9	-41.4	179.2	0	0	0	0	0	113.2	K311 M312 R319	K311-G315 PolarHBondContact O-N 2.89Å; M312-G315 PolarHBondContact O-N 3.26Å; G315-R319 PolarHBondContact O-N 2.95Å; G315-R319 VanDerWaalsContact O-N 3.08Å
316	R	98.8	Very high	98.7	Very high	78 Å²	78	36 Å²	36	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-70.6	-38.9	178.1	-71.7	-175	-171.8	-158.6	5.3	112.8	F280 D281 L284 M312 M313 I314 R319 A320	F280-R316 HydrophobicContact CD1-CB 4.27Å; F280-R316 HydrophobicContact CE1-CB 3.65Å; F280-R316 HydrophobicContact CE1-CG 4.4Å; D281-R316 WeakPolarHBondContact OD1-CD 3.48Å; D281-R316 IonicContact OD1-CZ 3.27Å; D281-R316 IonicContact OD1-NE 3.14Å; D281-R316 IonicContact OD1-NH1 2.89Å; D281-R316 PolarHBondContact OD1-NH1 3.31Å; D281-R316 IonicContact OD2-CZ 3.14Å; D281-R316 IonicContact OD2-NH1 2.74Å; D281-R316 PolarHBondContact OD2-NH1 2.81Å; L284-R316 HydrophobicContact CD2-CB 4.21Å; M312-R316 WeakPolarHBondContact O-CG 3.3Å; M312-R316 PolarHBondContact O-N 3.15Å; M312-R316 VanDerWaalsContact SD-CD 3.54Å; M312-R316 HydrophobicContact SD-CG 4.32Å; M312-R316 PolarHBondContact SD-NE 2.97Å; M312-R316 VanDerWaalsContact SD-NE 3.35Å; M313-R316 PolarHBondContact O-N 3.4Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 2.95Å; R316-R319 PolarHBondContact O-N 3.12Å; R316-A320 WeakPolarHBondContact O-CB 3.23Å; R316-A320 PolarHBondContact O-N 3.4Å
317	C	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-43.8	173.5	-73.1	0	0	0	0	112	M313 I314 R319 A320 G321 K322 V324	M313-C317 WeakPolarHBondContact O-CB 3.4Å; M313-C317 PolarHBondContact O-N 3.36Å; M313-C317 PolarHBondContact O-SG 2.98Å; I314-C317 PolarHBondContact O-N 3.37Å; C317-R319 VanDerWaalsContact C-N 3.33Å; C317-R319 PolarHBondContact O-N 3.07Å; C317-A320 CarbonylContact O-C 3.58Å; C317-A320 PolarHBondContact O-N 3.36Å; C317-A320 VanDerWaalsContact O-N 3.15Å; C317-G321 PolarHBondContact O-N 3.36Å; C317-K322 WeakPolarHBondContact CB-O 3.13Å; C317-K322 PolarHBondContact O-N 2.95Å; C317-K322 VanDerWaalsContact O-N 3.14Å; C317-V324 HydrophobicContact CB-CB 3.6Å; C317-V324 HydrophobicContact CB-CG1 3.79Å; C317-V324 HydrophobicContact CB-CG2 4.31Å
318	N	98.8	Very high	98.5	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-46.9	175.2	-66.9	-3.7	0	0	0	111.1	I314 A320 G321 G355 L398 R445	I314-N318 WeakPolarHBondContact O-CB 3.43Å; I314-N318 PolarHBondContact O-N 2.87Å; I314-N318 PolarHBondContact O-OD1 3.14Å; N318-A320 VanDerWaalsContact C-N 3.33Å; N318-A320 PolarHBondContact O-N 3.06Å; N318-G321 PolarHBondContact O-N 2.73Å; N318-G355 PolarHBondContact OD1-O 2.87Å; N318-L398 HydrophobicContact CB-CD2 4.35Å; N318-R445 PolarHBondContact OD1-NH2 3.09Å
319	R	98	Very high	98.4	Very high	130 Å²	130	31.9 Å²	31.9	49%	0.491	17%	0.166	S	C	.	.	H	α-helix	trans	-59.5	-43	176.3	-177.3	176.3	66	-176.9	2.7	112.2	G315 R316 C317 G321 A401 R443	G315-R319 PolarHBondContact O-N 2.95Å; G315-R319 VanDerWaalsContact O-N 3.08Å; R316-R319 PolarHBondContact O-N 3.12Å; C317-R319 VanDerWaalsContact C-N 3.33Å; C317-R319 PolarHBondContact O-N 3.07Å; R319-G321 VanDerWaalsContact C-N 3.31Å; R319-G321 PolarHBondContact O-N 3.32Å; R319-A401 HydrophobicContact CG-CB 4.25Å; R319-R443 PolarHBondContact O-NE 3.4Å; R319-R443 PolarHBondContact O-NH2 2.99Å
320	A	97.7	Very high	98.3	Very high	45 Å²	45	31.6 Å²	31.6	37%	0.372	16%	0.163	S	C	.	.	H	α-helix	trans	-76.5	-14.1	179.8	0	0	0	0	0	113.9	L284 R316 C317 N318 K322	L284-A320 HydrophobicContact CD2-CB 3.96Å; L284-A320 HydrophobicContact CG-CB 4.42Å; R316-A320 WeakPolarHBondContact O-CB 3.23Å; R316-A320 PolarHBondContact O-N 3.4Å; C317-A320 CarbonylContact O-C 3.58Å; C317-A320 PolarHBondContact O-N 3.36Å; C317-A320 VanDerWaalsContact O-N 3.15Å; N318-A320 VanDerWaalsContact C-N 3.33Å; N318-A320 PolarHBondContact O-N 3.06Å; A320-K322 VanDerWaalsContact C-N 3.29Å; A320-K322 HydrophobicContact CB-CG 4.47Å
321	G	97.9	Very high	98.3	Very high	20 Å²	20	31 Å²	31	21%	0.206	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	29.2	-173.8	0	0	0	0	0	113.7	C317 N318 R319	C317-G321 PolarHBondContact O-N 3.36Å; N318-G321 PolarHBondContact O-N 2.73Å; R319-G321 VanDerWaalsContact C-N 3.31Å; R319-G321 PolarHBondContact O-N 3.32Å
322	K	98.9	Very high	98.3	Very high	52 Å²	52	29.8 Å²	29.8	23%	0.226	16%	0.156	C	C	.	.			trans	-108	143.1	174.5	-67.5	-172.2	179.5	-173.2	0	109.8	L284 E285 S287 C317 A320	L284-K322 HydrophobicContact CD1-CB 4.12Å; L284-K322 HydrophobicContact CD1-CD 3.9Å; L284-K322 WeakPolarHBondContact O-CD 3.41Å; L284-K322 PolarHBondContact O-NZ 2.82Å; E285-K322 PolarHBondContact O-NZ 2.9Å; S287-K322 WeakPolarHBondContact O-CD 3.4Å; S287-K322 WeakPolarHBondContact O-CE 3.09Å; S287-K322 PolarHBondContact O-NZ 2.81Å; C317-K322 WeakPolarHBondContact CB-O 3.13Å; C317-K322 PolarHBondContact O-N 2.95Å; C317-K322 VanDerWaalsContact O-N 3.14Å; A320-K322 VanDerWaalsContact C-N 3.29Å; A320-K322 HydrophobicContact CB-CG 4.47Å
323	P	98.9	Very high	98.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.152	C	C	.	.			trans	-66.8	142.5	-175.9	28	-34.7	0	0	0	111.6	D288 G289 I290 D357 L465 Y466	D288-P323 VanDerWaalsContact O-CD 3.22Å; D288-P323 WeakPolarHBondContact O-CD 3.47Å; G289-P323 CarbonylContact C-O 3.52Å; G289-P323 VanDerWaalsContact CA-O 3.26Å; G289-P323 WeakPolarHBondContact CA-O 3.1Å; I290-P323 PolarHBondContact N-O 3.23Å; P323-D357 WeakPolarHBondContact CA-OD2 3.23Å; P323-D357 HydrophobicContact CB-CB 4.33Å; P323-L465 HydrophobicContact CB-CB 3.99Å; P323-L465 WeakPolarHBondContact CB-O 3.34Å; P323-L465 HydrophobicContact CG-CB 4.11Å; P323-Y466 HydrophobicContact CG-CE1 4.33Å; P323-Y466 HydrophobicContact CG-CE2 4.09Å
324	V	98.9	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.3	176.7	59.2	0	0	0	0	112.1	I290 V292 I314 C317 D357 C358	I290-V324 HydrophobicContact CB-CG2 4.42Å; I290-V324 HydrophobicContact CG2-CG2 4.31Å; I290-V324 CarbonylContact O-C 3.33Å; I290-V324 VanDerWaalsContact O-CA 3.3Å; I290-V324 WeakPolarHBondContact O-CA 3.39Å; V292-V324 HydrophobicContact CG2-CG2 4.13Å; I314-V324 HydrophobicContact CB-CG1 4.29Å; I314-V324 HydrophobicContact CG1-CG1 4.09Å; I314-V324 HydrophobicContact CG1-CG2 3.83Å; I314-V324 HydrophobicContact CG2-CG1 4.08Å; C317-V324 HydrophobicContact CB-CB 3.6Å; C317-V324 HydrophobicContact CB-CG1 3.79Å; C317-V324 HydrophobicContact CB-CG2 4.31Å; V324-D357 PolarHBondContact N-OD2 3Å; V324-D357 VanDerWaalsContact N-OD2 3.12Å; V324-D357 PolarHBondContact O-N 2.8Å; V324-C358 PolarHBondContact O-N 2.94Å
325	I	98.9	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.6	-177.8	-51.2	169.8	0	0	0	109.1	I48 F241 I268 I290 M291 V292 A327 C358 M360 L465	I48-I325 HydrophobicContact CD1-CD1 3.53Å; I48-I325 HydrophobicContact CD1-CG1 3.93Å; I48-I325 HydrophobicContact CD1-CG2 3.82Å; F241-I325 HydrophobicContact CE1-CD1 3.96Å; F241-I325 HydrophobicContact CZ-CD1 4.02Å; I268-I325 HydrophobicContact CG2-CD1 3.94Å; I290-I325 PolarHBondContact O-N 2.94Å; M291-I325 HydrophobicContact CB-CB 4.18Å; M291-I325 HydrophobicContact CB-CD1 4.45Å; M291-I325 HydrophobicContact CE-CB 4.46Å; M291-I325 HydrophobicContact CE-CD1 3.75Å; M291-I325 HydrophobicContact CE-CG2 4.21Å; M291-I325 HydrophobicContact CG-CB 4.08Å; M291-I325 HydrophobicContact CG-CG2 4.25Å; V292-I325 PolarHBondContact N-O 3.27Å; I325-A327 HydrophobicContact CG2-CB 4.47Å; I325-C358 WeakPolarHBondContact CA-O 3.1Å; I325-C358 HydrophobicContact CB-CB 4.48Å; I325-C358 HydrophobicContact CG1-CB 4.08Å; I325-C358 HydrophobicContact CG2-CB 4.24Å; I325-M360 HydrophobicContact CG2-CB 4.1Å; I325-L465 HydrophobicContact CD1-CD2 4.19Å
326	C	98.9	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	125.7	165.2	-170.2	0	0	0	0	109.3	Q310 M330 A351 A356 C358 M360	Q310-C326 PolarHBondContact OE1-SG 3.11Å; C326-M330 HydrophobicContact CB-CE 4.35Å; C326-A351 HydrophobicContact CB-CB 3.84Å; C326-A356 HydrophobicContact CB-CB 4.21Å; C326-C358 PolarHBondContact N-O 3.48Å; C326-M360 PolarHBondContact O-N 2.73Å; C326-M360 VanDerWaalsContact O-N 3.15Å
327	A	97.9	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	156	-168.6	0	0	0	0	0	113.8	M291 V292 R294 I325 M360	M291-A327 HydrophobicContact CG-CB 3.72Å; M291-A327 HydrophobicContact SD-CB 3.73Å; V292-A327 PolarHBondContact O-N 3.36Å; R294-A327 WeakPolarHBondContact CB-O 3.42Å; R294-A327 WeakPolarHBondContact CG-O 3.39Å; R294-A327 PolarHBondContact N-O 2.81Å; R294-A327 PolarHBondContact NE-O 3Å; I325-A327 HydrophobicContact CG2-CB 4.47Å; A327-M360 HydrophobicContact CB-CB 4.14Å; A327-M360 HydrophobicContact CB-CE 3.51Å; A327-M360 HydrophobicContact CB-SD 4.29Å
328	T	94.4	Very high	98.1	Very high	33 Å²	33	39.1 Å²	39.1	20%	0.202	20%	0.197	C	C	.	.	S	Bend	trans	78.5	128.2	169.9	-48.8	0	0	0	0	114.3	R294 M330	R294-T328 PolarHBondContact NE-O 3Å; R294-T328 PolarHBondContact NH2-O 3.24Å; T328-M330 PolarHBondContact O-N 3.37Å
329	Q	96.5	Very high	98.1	Very high	105 Å²	105	46.4 Å²	46.4	49%	0.491	22%	0.224	S	C	.	.	S	Bend	trans	57.7	25.7	175.9	-65.5	178.4	-11.7	0	0	116	L331 E332	Q329-L331 VanDerWaalsContact C-N 3.3Å; Q329-L331 PolarHBondContact O-N 3.26Å; Q329-E332 HydrophobicContact CB-CB 4.01Å; Q329-E332 HydrophobicContact CB-CG 4.42Å; Q329-E332 HydrophobicContact CG-CB 4.11Å; Q329-E332 HydrophobicContact CG-CG 3.96Å; Q329-E332 WeakPolarHBondContact CG-OE2 3.37Å
330	M	98.5	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.6	-179.6	-65.7	-161.2	86.5	0	0	112	R294 C326 T328 E344 V348 A351 I359	R294-M330 VanDerWaalsContact NH2-CG 3.32Å; C326-M330 HydrophobicContact CB-CE 4.35Å; T328-M330 PolarHBondContact O-N 3.37Å; M330-E344 WeakPolarHBondContact O-CA 3.41Å; M330-E344 WeakPolarHBondContact O-CB 3.34Å; M330-E344 WeakPolarHBondContact O-CG 3.5Å; M330-V348 HydrophobicContact CB-CG2 3.99Å; M330-V348 HydrophobicContact CE-CB 4.3Å; M330-V348 HydrophobicContact CE-CG2 3.95Å; M330-A351 HydrophobicContact CE-CB 3.67Å; M330-I359 HydrophobicContact CE-CB 4.1Å; M330-I359 HydrophobicContact CE-CG2 3.74Å; M330-I359 HydrophobicContact SD-CB 3.66Å; M330-I359 HydrophobicContact SD-CG2 3.95Å
331	L	98.6	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	37	178.3	-61.3	-177.3	0	0	0	110.9	Q329 S333 M334 P340 E344 V348 L361 E364 A374 M377 Q378	Q329-L331 VanDerWaalsContact C-N 3.3Å; Q329-L331 PolarHBondContact O-N 3.26Å; L331-S333 VanDerWaalsContact C-N 3.28Å; L331-S333 PolarHBondContact O-N 3.05Å; L331-S333 VanDerWaalsContact O-N 3.09Å; L331-M334 HydrophobicContact CB-CB 4.42Å; L331-M334 HydrophobicContact CB-CG 4.23Å; L331-M334 HydrophobicContact CB-SD 4.19Å; L331-M334 HydrophobicContact CD1-SD 3.94Å; L331-M334 WeakPolarHBondContact O-CA 3.15Å; L331-M334 VanDerWaalsContact O-CB 3.24Å; L331-M334 WeakPolarHBondContact O-CB 3.44Å; L331-M334 PolarHBondContact O-N 2.95Å; L331-P340 HydrophobicContact CD2-CB 3.92Å; L331-E344 HydrophobicContact CD2-CB 3.88Å; L331-V348 HydrophobicContact CD2-CG2 3.75Å; L331-V348 HydrophobicContact CG-CG2 4.11Å; L331-L361 HydrophobicContact CB-CD2 4.1Å; L331-L361 HydrophobicContact CD1-CD2 4.07Å; L331-L361 HydrophobicContact CG-CD2 4.22Å; L331-E364 HydrophobicContact CB-CG 4.19Å; L331-E364 PolarHBondContact N-OE1 3.12Å; L331-E364 VanDerWaalsContact O-CG 3.28Å; L331-E364 WeakPolarHBondContact O-CG 3.24Å; L331-A374 WeakPolarHBondContact CD1-O 3.22Å; L331-M377 HydrophobicContact CD1-CB 3.83Å; L331-M377 HydrophobicContact CD1-CG 3.8Å; L331-M377 HydrophobicContact CD2-CG 4.22Å; L331-Q378 HydrophobicContact CD1-CG 3.71Å; L331-Q378 HydrophobicContact CG-CG 4.39Å
332	E	98.2	Very high	98.2	Very high	61 Å²	61	50.5 Å²	50.5	29%	0.285	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-51.5	-40.7	-166.3	-169	65.9	-170.2	0	0	114	Q329 M334 I335	Q329-E332 HydrophobicContact CB-CB 4.01Å; Q329-E332 HydrophobicContact CB-CG 4.42Å; Q329-E332 HydrophobicContact CG-CB 4.11Å; Q329-E332 HydrophobicContact CG-CG 3.96Å; Q329-E332 WeakPolarHBondContact CG-OE2 3.37Å; E332-M334 PolarHBondContact O-N 3.37Å; E332-M334 VanDerWaalsContact O-N 3.09Å; E332-I335 HydrophobicContact CG-CD1 4.31Å; E332-I335 WeakPolarHBondContact O-CB 3.44Å; E332-I335 VanDerWaalsContact O-CG1 3.26Å; E332-I335 WeakPolarHBondContact O-CG1 3.41Å; E332-I335 PolarHBondContact O-N 3.42Å; E332-I335 WeakPolarHBondContact OE1-CD1 3.36Å
333	S	98.4	Very high	98.2	Very high	23 Å²	23	51.5 Å²	51.5	16%	0.161	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-62	-21.8	179.4	79	0	0	0	0	113.2	L331 I335 K336 K337 E344	L331-S333 VanDerWaalsContact C-N 3.28Å; L331-S333 PolarHBondContact O-N 3.05Å; L331-S333 VanDerWaalsContact O-N 3.09Å; S333-I335 PolarHBondContact O-N 3.33Å; S333-K336 PolarHBondContact O-N 2.93Å; S333-K336 VanDerWaalsContact O-N 3.11Å; S333-K337 WeakPolarHBondContact O-CB 3.32Å; S333-K337 PolarHBondContact O-N 3.43Å; S333-E344 WeakPolarHBondContact CA-OE1 3.33Å; S333-E344 WeakPolarHBondContact CB-OE1 3.35Å; S333-E344 PolarHBondContact N-OE1 2.72Å; S333-E344 VanDerWaalsContact OG-CD 3.23Å; S333-E344 PolarHBondContact OG-OE1 2.86Å; S333-E344 PolarHBondContact OG-OE2 3.29Å
334	M	98.6	Very high	98.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-71.9	-6.2	176.6	-61.9	-165.8	67.2	0	0	114.2	L331 E332 K336 K337 P340 E373 A374 M377	L331-M334 HydrophobicContact CB-CB 4.42Å; L331-M334 HydrophobicContact CB-CG 4.23Å; L331-M334 HydrophobicContact CB-SD 4.19Å; L331-M334 HydrophobicContact CD1-SD 3.94Å; L331-M334 WeakPolarHBondContact O-CA 3.15Å; L331-M334 VanDerWaalsContact O-CB 3.24Å; L331-M334 WeakPolarHBondContact O-CB 3.44Å; L331-M334 PolarHBondContact O-N 2.95Å; E332-M334 PolarHBondContact O-N 3.37Å; E332-M334 VanDerWaalsContact O-N 3.09Å; M334-K336 PolarHBondContact O-N 3.21Å; M334-K337 WeakPolarHBondContact CA-O 3.38Å; M334-P340 HydrophobicContact CG-CB 4Å; M334-P340 HydrophobicContact SD-CB 3.85Å; M334-P340 HydrophobicContact SD-CG 4.14Å; M334-E373 HydrophobicContact CE-CB 3.78Å; M334-A374 HydrophobicContact CB-CB 4.49Å; M334-A374 HydrophobicContact CE-CB 4.47Å; M334-M377 HydrophobicContact SD-CB 4.14Å; M334-M377 HydrophobicContact SD-CG 4.15Å
335	I	98.4	Very high	98.2	Very high	19 Å²	19	53.4 Å²	53.4	10%	0.097	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.5	-39	163.8	-67.8	172.9	0	0	0	110.2	E332 S333 E364 G368 D369	E332-I335 HydrophobicContact CG-CD1 4.31Å; E332-I335 WeakPolarHBondContact O-CB 3.44Å; E332-I335 VanDerWaalsContact O-CG1 3.26Å; E332-I335 WeakPolarHBondContact O-CG1 3.41Å; E332-I335 PolarHBondContact O-N 3.42Å; E332-I335 WeakPolarHBondContact OE1-CD1 3.36Å; S333-I335 PolarHBondContact O-N 3.33Å; I335-E364 HydrophobicContact CG1-CB 4.49Å; I335-E364 HydrophobicContact CG1-CG 4.27Å; I335-G368 WeakPolarHBondContact O-CA 3.48Å; I335-D369 PolarHBondContact O-N 3.47Å
336	K	98.3	Very high	98.2	Very high	130 Å²	130	56.3 Å²	56.3	57%	0.565	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-6.9	-175	-65	-54	-178.4	-168.9	0	115	S333 M334 D369	S333-K336 PolarHBondContact O-N 2.93Å; S333-K336 VanDerWaalsContact O-N 3.11Å; M334-K336 PolarHBondContact O-N 3.21Å; K336-D369 WeakPolarHBondContact CD-OD2 3.49Å; K336-D369 IonicContact NZ-OD1 2.71Å; K336-D369 PolarHBondContact NZ-OD1 3.36Å; K336-D369 IonicContact NZ-OD2 2.75Å; K336-D369 PolarHBondContact NZ-OD2 2.73Å
337	K	98.1	Very high	98.2	Very high	120 Å²	120	58.1 Å²	58.1	52%	0.522	29%	0.293	S	S	.	.			trans	-127.4	141.3	-174.9	-60.4	177.7	-174.5	173.9	0	110.9	S333 M334 R339 Y370	S333-K337 WeakPolarHBondContact O-CB 3.32Å; S333-K337 PolarHBondContact O-N 3.43Å; M334-K337 WeakPolarHBondContact CA-O 3.38Å; K337-R339 PolarHBondContact O-N 2.9Å; K337-R339 VanDerWaalsContact O-N 3.14Å; K337-Y370 VanDerWaalsContact C-CE2 3.42Å; K337-Y370 WeakPolarHBondContact O-CD2 3.3Å
338	P	97.9	Very high	98.2	Very high	67 Å²	67	58.1 Å²	58.1	44%	0.435	29%	0.293	S	S	.	.	S	Bend	trans	-73.7	-3.9	179.8	29.7	-35.6	0	0	0	113.6	Y370	P338-Y370 HydrophobicContact CB-CD1 3.99Å; P338-Y370 HydrophobicContact CB-CD2 4.46Å; P338-Y370 HydrophobicContact CB-CE1 3.73Å; P338-Y370 HydrophobicContact CB-CE2 4.22Å; P338-Y370 HydrophobicContact CB-CG 4.34Å
339	R	98.3	Very high	98.5	Very high	167 Å²	167	57.6 Å²	57.6	63%	0.63	29%	0.292	S	S	*	.	S	Bend	trans	-139.1	142.2	-177.7	-63.5	-64.4	-65.7	176.8	-1.5	110	K337 M377	K337-R339 PolarHBondContact O-N 2.9Å; K337-R339 VanDerWaalsContact O-N 3.14Å; R339-M377 VanDerWaalsContact NH1-CE 3.28Å
340	P	98.7	Very high	98.6	Very high	14 Å²	14	55.7 Å²	55.7	9%	0.091	29%	0.285	C	S	.	.			trans	-75.8	164	178	35.4	-38.5	0	0	0	111.5	L331 M334 E344 M377	L331-P340 HydrophobicContact CD2-CB 3.92Å; M334-P340 HydrophobicContact CG-CB 4Å; M334-P340 HydrophobicContact SD-CB 3.85Å; M334-P340 HydrophobicContact SD-CG 4.14Å; P340-E344 WeakPolarHBondContact CA-OE2 3.43Å; P340-E344 HydrophobicContact CB-CB 3.95Å; P340-E344 VanDerWaalsContact CB-OE2 3.26Å; P340-E344 WeakPolarHBondContact CB-OE2 3.37Å; P340-M377 HydrophobicContact CG-CE 4.01Å; P340-M377 HydrophobicContact CG-CG 3.88Å; P340-M377 HydrophobicContact CG-SD 3.94Å
341	T	98.7	Very high	98.6	Very high	55 Å²	55	55.7 Å²	55.7	34%	0.337	29%	0.285	S	S	.	.			trans	-69.3	167.8	164.5	74.3	0	0	0	0	110.8	A343 E344 G345	T341-A343 VanDerWaalsContact C-N 3.31Å; T341-A343 PolarHBondContact OG1-N 2.98Å; T341-E344 PolarHBondContact N-OE2 2.72Å; T341-E344 VanDerWaalsContact OG1-CG 3.32Å; T341-E344 WeakPolarHBondContact OG1-CG 3.29Å; T341-E344 PolarHBondContact OG1-N 3.1Å; T341-E344 VanDerWaalsContact OG1-N 3.15Å; T341-G345 PolarHBondContact O-N 3.29Å
342	R	98.6	Very high	98.6	Very high	212 Å²	212	55.7 Å²	55.7	80%	0.8	29%	0.285	S	S	*	.	H	α-helix	trans	-68	-34.2	173.8	-56	-59	174.7	-83.4	-4.5	111.9	G345 S346	R342-G345 PolarHBondContact O-N 3.22Å; R342-S346 WeakPolarHBondContact O-CB 3.33Å; R342-S346 PolarHBondContact O-N 3.41Å
343	A	98.5	Very high	98.6	Very high	73 Å²	73	56.2 Å²	56.2	60%	0.603	29%	0.29	S	S	*	.	H	α-helix	trans	-62.9	-44.9	176.7	0	0	0	0	0	111.3	T341 S346 D347	T341-A343 VanDerWaalsContact C-N 3.31Å; T341-A343 PolarHBondContact OG1-N 2.98Å; A343-S346 WeakPolarHBondContact O-CB 3.29Å; A343-S346 PolarHBondContact O-N 3.44Å; A343-D347 WeakPolarHBondContact O-CB 3.47Å; A343-D347 PolarHBondContact O-N 3.22Å
344	E	98.9	Very high	98.7	Very high	21 Å²	21	57 Å²	57	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176.4	-74.3	164.3	-172	0	0	112.4	M330 L331 S333 P340 T341 S346 D347 V348	M330-E344 WeakPolarHBondContact O-CA 3.41Å; M330-E344 WeakPolarHBondContact O-CB 3.34Å; M330-E344 WeakPolarHBondContact O-CG 3.5Å; L331-E344 HydrophobicContact CD2-CB 3.88Å; S333-E344 WeakPolarHBondContact CA-OE1 3.33Å; S333-E344 WeakPolarHBondContact CB-OE1 3.35Å; S333-E344 PolarHBondContact N-OE1 2.72Å; S333-E344 VanDerWaalsContact OG-CD 3.23Å; S333-E344 PolarHBondContact OG-OE1 2.86Å; S333-E344 PolarHBondContact OG-OE2 3.29Å; P340-E344 WeakPolarHBondContact CA-OE2 3.43Å; P340-E344 HydrophobicContact CB-CB 3.95Å; P340-E344 VanDerWaalsContact CB-OE2 3.26Å; P340-E344 WeakPolarHBondContact CB-OE2 3.37Å; T341-E344 PolarHBondContact N-OE2 2.72Å; T341-E344 VanDerWaalsContact OG1-CG 3.32Å; T341-E344 WeakPolarHBondContact OG1-CG 3.29Å; T341-E344 PolarHBondContact OG1-N 3.1Å; T341-E344 VanDerWaalsContact OG1-N 3.15Å; E344-S346 VanDerWaalsContact C-N 3.34Å; E344-S346 PolarHBondContact O-N 2.91Å; E344-D347 PolarHBondContact O-N 3.44Å; E344-V348 WeakPolarHBondContact O-CG2 3.48Å; E344-V348 PolarHBondContact O-N 2.95Å; E344-V348 VanDerWaalsContact O-N 3.11Å
345	G	98.8	Very high	98.7	Very high	19 Å²	19	57 Å²	57	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-44.5	173.3	0	0	0	0	0	112.7	T341 R342 A349	T341-G345 PolarHBondContact O-N 3.29Å; R342-G345 PolarHBondContact O-N 3.22Å; G345-A349 PolarHBondContact O-N 3.09Å
346	S	98.9	Very high	98.7	Very high	62 Å²	62	56.1 Å²	56.1	43%	0.434	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-39.6	175.9	-174.9	0	0	0	0	112.5	R342 A343 E344 A349 N350	R342-S346 WeakPolarHBondContact O-CB 3.33Å; R342-S346 PolarHBondContact O-N 3.41Å; A343-S346 WeakPolarHBondContact O-CB 3.29Å; A343-S346 PolarHBondContact O-N 3.44Å; E344-S346 VanDerWaalsContact C-N 3.34Å; E344-S346 PolarHBondContact O-N 2.91Å; S346-A349 PolarHBondContact O-N 3.19Å; S346-N350 WeakPolarHBondContact O-CB 3.37Å; S346-N350 PolarHBondContact O-N 3.13Å; S346-N350 PolarHBondContact O-ND2 2.92Å; S346-N350 PolarHBondContact OG-ND2 3.48Å; S346-N350 VanDerWaalsContact OG-ND2 3.09Å
347	D	98.9	Very high	98.7	Very high	39 Å²	39	50.1 Å²	50.1	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-48.7	-179.4	-177.4	51.1	0	0	0	111.5	R294 A343 E344 A349 N350 A351	R294-D347 IonicContact CZ-OD1 3.1Å; R294-D347 IonicContact CZ-OD2 3.25Å; R294-D347 VanDerWaalsContact NH1-CG 3.29Å; R294-D347 IonicContact NH1-OD1 2.73Å; R294-D347 PolarHBondContact NH1-OD1 3.46Å; R294-D347 IonicContact NH1-OD2 3.55Å; R294-D347 PolarHBondContact NH1-OD2 3.19Å; R294-D347 IonicContact NH2-OD1 2.91Å; R294-D347 IonicContact NH2-OD2 3.22Å; R294-D347 PolarHBondContact NH2-OD2 2.9Å; A343-D347 WeakPolarHBondContact O-CB 3.47Å; A343-D347 PolarHBondContact O-N 3.22Å; E344-D347 PolarHBondContact O-N 3.44Å; D347-A349 PolarHBondContact O-N 2.97Å; D347-N350 PolarHBondContact O-N 2.86Å; D347-A351 WeakPolarHBondContact O-CB 3.43Å; D347-A351 PolarHBondContact O-N 3.36Å
348	V	98.9	Very high	98.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.9	177.3	0	0	0	0	111.2	M330 L331 E344 N350 A351 V352 I359 I381	M330-V348 HydrophobicContact CB-CG2 3.99Å; M330-V348 HydrophobicContact CE-CB 4.3Å; M330-V348 HydrophobicContact CE-CG2 3.95Å; L331-V348 HydrophobicContact CD2-CG2 3.75Å; L331-V348 HydrophobicContact CG-CG2 4.11Å; E344-V348 WeakPolarHBondContact O-CG2 3.48Å; E344-V348 PolarHBondContact O-N 2.95Å; E344-V348 VanDerWaalsContact O-N 3.11Å; V348-N350 PolarHBondContact O-N 3.5Å; V348-A351 PolarHBondContact O-N 2.86Å; V348-V352 WeakPolarHBondContact O-CG2 3.39Å; V348-V352 PolarHBondContact O-N 3.22Å; V348-I359 HydrophobicContact CG1-CD1 3.68Å; V348-I381 HydrophobicContact CB-CB 4.42Å; V348-I381 HydrophobicContact CB-CD1 4.14Å; V348-I381 HydrophobicContact CB-CG2 3.9Å; V348-I381 HydrophobicContact CG1-CB 3.9Å; V348-I381 HydrophobicContact CG1-CD1 4.32Å; V348-I381 HydrophobicContact CG1-CG2 3.66Å
349	A	98.9	Very high	98.8	Very high	22 Å²	22	41.2 Å²	41.2	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-46	179.3	0	0	0	0	0	111.7	G345 S346 D347 V352 L353 I381 A385	G345-A349 PolarHBondContact O-N 3.09Å; S346-A349 PolarHBondContact O-N 3.19Å; D347-A349 PolarHBondContact O-N 2.97Å; A349-V352 WeakPolarHBondContact O-CB 3.44Å; A349-V352 PolarHBondContact O-N 2.65Å; A349-L353 VanDerWaalsContact O-CG 3.31Å; A349-L353 WeakPolarHBondContact O-CG 3.29Å; A349-L353 PolarHBondContact O-N 3.09Å; A349-I381 HydrophobicContact CB-CG2 3.75Å; A349-A385 HydrophobicContact CB-CB 4.16Å
350	N	98.9	Very high	98.8	Very high	64 Å²	64	33.4 Å²	33.4	34%	0.342	19%	0.187	S	C	.	.	H	α-helix	trans	-68.9	-34.2	-179.2	-80.5	-73.5	0	0	0	112.8	S346 D347 V348 V352 L353 D354	S346-N350 WeakPolarHBondContact O-CB 3.37Å; S346-N350 PolarHBondContact O-N 3.13Å; S346-N350 PolarHBondContact O-ND2 2.92Å; S346-N350 PolarHBondContact OG-ND2 3.48Å; S346-N350 VanDerWaalsContact OG-ND2 3.09Å; D347-N350 PolarHBondContact O-N 2.86Å; V348-N350 PolarHBondContact O-N 3.5Å; N350-V352 VanDerWaalsContact C-N 3.28Å; N350-V352 PolarHBondContact O-N 3.15Å; N350-L353 PolarHBondContact O-N 2.79Å; N350-D354 VanDerWaalsContact O-CB 3.28Å; N350-D354 WeakPolarHBondContact O-CB 3.49Å; N350-D354 PolarHBondContact O-N 3.38Å
351	A	98.9	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-40.5	172.3	0	0	0	0	0	111.5	C326 M330 D347 V348 G355 A356 I359	C326-A351 HydrophobicContact CB-CB 3.84Å; M330-A351 HydrophobicContact CE-CB 3.67Å; D347-A351 WeakPolarHBondContact O-CB 3.43Å; D347-A351 PolarHBondContact O-N 3.36Å; V348-A351 PolarHBondContact O-N 2.86Å; A351-G355 PolarHBondContact O-N 3.11Å; A351-A356 WeakPolarHBondContact O-CB 3.46Å; A351-A356 PolarHBondContact O-N 3.11Å; A351-I359 HydrophobicContact CB-CG2 4.26Å
352	V	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-43	175.4	174.2	0	0	0	0	111.6	T45 V348 A349 N350 G355 I359 A382 A385 E386 R467	T45-V352 HydrophobicContact CG2-CG2 4.05Å; V348-V352 WeakPolarHBondContact O-CG2 3.39Å; V348-V352 PolarHBondContact O-N 3.22Å; A349-V352 WeakPolarHBondContact O-CB 3.44Å; A349-V352 PolarHBondContact O-N 2.65Å; N350-V352 VanDerWaalsContact C-N 3.28Å; N350-V352 PolarHBondContact O-N 3.15Å; V352-G355 WeakPolarHBondContact O-CA 3.48Å; V352-G355 PolarHBondContact O-N 2.73Å; V352-G355 VanDerWaalsContact O-N 3.09Å; V352-I359 HydrophobicContact CG2-CG2 4.32Å; V352-A382 HydrophobicContact CG2-CB 4.18Å; V352-A385 HydrophobicContact CB-CB 3.78Å; V352-A385 HydrophobicContact CG1-CB 3.66Å; V352-E386 HydrophobicContact CG1-CG 3.97Å; V352-R467 PolarHBondContact O-NH1 2.84Å
353	L	98.9	Very high	98.7	Very high	72 Å²	72	21.6 Å²	21.6	38%	0.377	14%	0.142	S	C	.	.	H	α-helix	trans	-68.7	-33.5	178.7	-68.1	170.7	0	0	0	112.9	A349 N350 G355 A385 A388 M389	A349-L353 VanDerWaalsContact O-CG 3.31Å; A349-L353 WeakPolarHBondContact O-CG 3.29Å; A349-L353 PolarHBondContact O-N 3.09Å; N350-L353 PolarHBondContact O-N 2.79Å; L353-G355 PolarHBondContact O-N 3.22Å; L353-A385 VanDerWaalsContact CD2-O 3.29Å; L353-A385 WeakPolarHBondContact CD2-O 3.31Å; L353-A385 HydrophobicContact CG-CB 4.34Å; L353-A388 HydrophobicContact CD2-CB 4.25Å; L353-M389 HydrophobicContact CD2-CG 3.88Å
354	D	98.9	Very high	98.7	Very high	40 Å²	40	18.1 Å²	18.1	21%	0.214	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-23.4	171.1	-74.8	-20.7	0	0	0	111.4	Q310 K311 I314 N350	Q310-D354 PolarHBondContact NE2-OD2 2.9Å; K311-D354 WeakPolarHBondContact CG-OD2 3.45Å; K311-D354 IonicContact NZ-OD1 3.72Å; K311-D354 PolarHBondContact NZ-OD1 2.98Å; K311-D354 IonicContact NZ-OD2 3.29Å; K311-D354 PolarHBondContact NZ-OD2 2.68Å; I314-D354 HydrophobicContact CD1-CB 3.9Å; I314-D354 HydrophobicContact CG2-CB 4.34Å; I314-D354 WeakPolarHBondContact CG2-O 3.46Å; N350-D354 VanDerWaalsContact O-CB 3.28Å; N350-D354 WeakPolarHBondContact O-CB 3.49Å; N350-D354 PolarHBondContact O-N 3.38Å
355	G	98.8	Very high	98.7	Very high	2 Å²	2	17.1 Å²	17.1	2%	0.021	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.1	27.5	176	0	0	0	0	0	113.8	N318 A351 V352 L353 R445	N318-G355 PolarHBondContact OD1-O 2.87Å; A351-G355 PolarHBondContact O-N 3.11Å; V352-G355 WeakPolarHBondContact O-CA 3.48Å; V352-G355 PolarHBondContact O-N 2.73Å; V352-G355 VanDerWaalsContact O-N 3.09Å; L353-G355 PolarHBondContact O-N 3.22Å; G355-R445 PolarHBondContact O-NH2 2.83Å
356	A	98.9	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.105	C	C	.	.			trans	-57.7	141.5	169.6	0	0	0	0	0	111.1	I314 C326 A351 R467	I314-A356 HydrophobicContact CD1-CB 4.2Å; C326-A356 HydrophobicContact CB-CB 4.21Å; A351-A356 WeakPolarHBondContact O-CB 3.46Å; A351-A356 PolarHBondContact O-N 3.11Å; A356-R467 PolarHBondContact O-NH1 3.3Å
357	D	98.9	Very high	98.6	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.113	C	C	.	.	S	Bend	trans	-81.5	-35.2	174.7	-70.1	-84.3	0	0	0	112.1	T45 G46 P323 V324 R445 L465 R467	T45-D357 CarbonylContact C-O 3.47Å; T45-D357 WeakPolarHBondContact CA-O 3.37Å; T45-D357 WeakPolarHBondContact CG2-O 3.38Å; G46-D357 PolarHBondContact N-O 3.46Å; P323-D357 WeakPolarHBondContact CA-OD2 3.23Å; P323-D357 HydrophobicContact CB-CB 4.33Å; V324-D357 PolarHBondContact N-OD2 3Å; V324-D357 VanDerWaalsContact N-OD2 3.12Å; V324-D357 PolarHBondContact O-N 2.8Å; D357-R445 VanDerWaalsContact CG-NH2 3.34Å; D357-R445 IonicContact OD1-CZ 3.72Å; D357-R445 IonicContact OD1-NH1 3.26Å; D357-R445 PolarHBondContact OD1-NH1 3.31Å; D357-R445 IonicContact OD1-NH2 3.65Å; D357-R445 PolarHBondContact OD1-NH2 3.31Å; D357-R445 IonicContact OD2-CZ 2.69Å; D357-R445 IonicContact OD2-NH1 2.74Å; D357-R445 IonicContact OD2-NH2 3.03Å; D357-R445 PolarHBondContact OD2-NH2 3.41Å; D357-L465 WeakPolarHBondContact CB-O 3.23Å; D357-R467 HydrophobicContact CB-CB 4.44Å; D357-R467 WeakPolarHBondContact OD1-CB 3.34Å; D357-R467 PolarHBondContact OD1-N 3.23Å
358	C	98.9	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	153.5	176.5	-63.1	0	0	0	0	111.5	G46 I48 V324 I325 C326 H464	G46-C358 CarbonylContact O-C 3.58Å; G46-C358 WeakPolarHBondContact O-CA 3.45Å; I48-C358 HydrophobicContact CD1-CB 3.71Å; I48-C358 HydrophobicContact CG1-CB 4.05Å; V324-C358 PolarHBondContact O-N 2.94Å; I325-C358 WeakPolarHBondContact CA-O 3.1Å; I325-C358 HydrophobicContact CB-CB 4.48Å; I325-C358 HydrophobicContact CG1-CB 4.08Å; I325-C358 HydrophobicContact CG2-CB 4.24Å; C326-C358 PolarHBondContact N-O 3.48Å; C358-H464 PolarHBondContact SG-O 3.36Å; C358-H464 VanDerWaalsContact SG-O 3.36Å
359	I	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.2	170.3	53.4	175.7	0	0	0	108.8	T45 G46 I47 I48 M330 V348 A351 V352 Q378 A382	T45-I359 HydrophobicContact CG2-CG1 4.22Å; T45-I359 HydrophobicContact CG2-CG2 4.23Å; G46-I359 PolarHBondContact O-N 3.21Å; I47-I359 HydrophobicContact CG1-CD1 4.27Å; I47-I359 HydrophobicContact CG1-CG1 4.07Å; I48-I359 PolarHBondContact N-O 3.15Å; M330-I359 HydrophobicContact CE-CB 4.1Å; M330-I359 HydrophobicContact CE-CG2 3.74Å; M330-I359 HydrophobicContact SD-CB 3.66Å; M330-I359 HydrophobicContact SD-CG2 3.95Å; V348-I359 HydrophobicContact CG1-CD1 3.68Å; A351-I359 HydrophobicContact CB-CG2 4.26Å; V352-I359 HydrophobicContact CG2-CG2 4.32Å; I359-Q378 HydrophobicContact CD1-CB 3.74Å; I359-Q378 HydrophobicContact CD1-CG 3.92Å; I359-A382 HydrophobicContact CD1-CB 4.25Å
360	M	98.9	Very high	98.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.3	-168.9	-170.8	171.9	91.3	0	0	113.7	I48 R73 F241 M291 I325 C326 A327	I48-M360 HydrophobicContact CB-CB 4.08Å; I48-M360 HydrophobicContact CB-CG 3.81Å; I48-M360 HydrophobicContact CB-SD 4.37Å; I48-M360 HydrophobicContact CG2-CG 3.77Å; I48-M360 HydrophobicContact CG2-SD 3.84Å; I48-M360 CarbonylContact O-C 3.53Å; I48-M360 VanDerWaalsContact O-CA 3.3Å; I48-M360 WeakPolarHBondContact O-CA 3.49Å; R73-M360 WeakPolarHBondContact CD-SD 3.48Å; F241-M360 HydrophobicContact CE2-SD 4.35Å; M291-M360 HydrophobicContact CE-CE 4.12Å; M291-M360 HydrophobicContact CE-SD 3.64Å; M291-M360 HydrophobicContact SD-CE 3.87Å; M291-M360 HydrophobicContact SD-SD 4.18Å; I325-M360 HydrophobicContact CG2-CB 4.1Å; C326-M360 PolarHBondContact O-N 2.73Å; C326-M360 VanDerWaalsContact O-N 3.15Å; A327-M360 HydrophobicContact CB-CB 4.14Å; A327-M360 HydrophobicContact CB-CE 3.51Å; A327-M360 HydrophobicContact CB-SD 4.29Å
361	L	98.8	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.5	169.5	-63.4	167.1	0	0	0	110.3	I48 T50 L331 E364 T365 A374 V375 Q378	I48-L361 PolarHBondContact O-N 2.86Å; T50-L361 WeakPolarHBondContact CB-O 3.32Å; T50-L361 PolarHBondContact N-O 2.89Å; T50-L361 PolarHBondContact OG1-O 3.04Å; L331-L361 HydrophobicContact CB-CD2 4.1Å; L331-L361 HydrophobicContact CD1-CD2 4.07Å; L331-L361 HydrophobicContact CG-CD2 4.22Å; L361-E364 HydrophobicContact CB-CB 4.35Å; L361-E364 HydrophobicContact CD2-CB 3.92Å; L361-E364 HydrophobicContact CD2-CG 3.96Å; L361-T365 HydrophobicContact CB-CG2 3.71Å; L361-T365 HydrophobicContact CD1-CG2 3.53Å; L361-T365 HydrophobicContact CG-CG2 4.22Å; L361-A374 HydrophobicContact CD1-CB 3.91Å; L361-A374 HydrophobicContact CD2-CB 4.35Å; L361-V375 HydrophobicContact CD1-CG2 3.97Å; L361-Q378 HydrophobicContact CD1-CG 4.3Å; L361-Q378 HydrophobicContact CD2-CG 4.13Å; L361-Q378 VanDerWaalsContact CD2-NE2 3.34Å; L361-Q378 VanDerWaalsContact CG-CD 3.47Å; L361-Q378 HydrophobicContact CG-CG 4.3Å
362	S	97.6	Very high	98.5	Very high	21 Å²	21	25 Å²	25	15%	0.147	13%	0.13	C	C	.	.	S	Bend	trans	-114	-94.9	-178.7	-62	0	0	0	0	110.8	T50 E364 A366	T50-S362 WeakPolarHBondContact OG1-CA 3.43Å; S362-E364 WeakPolarHBondContact CA-OE2 3.48Å; S362-E364 PolarHBondContact N-OE2 3.44Å; S362-E364 PolarHBondContact O-N 3.23Å; S362-A366 VanDerWaalsContact O-CB 3.22Å; S362-A366 WeakPolarHBondContact O-CB 3.48Å; S362-A366 PolarHBondContact O-N 2.82Å; S362-A366 VanDerWaalsContact O-N 3.11Å
363	G	96.1	Very high	98.5	Very high	13 Å²	13	28 Å²	28	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-32.5	179.8	0	0	0	0	0	112.4	T365 A366 K367 G368	G363-T365 VanDerWaalsContact C-N 3.26Å; G363-T365 PolarHBondContact O-N 2.9Å; G363-A366 PolarHBondContact O-N 2.76Å; G363-K367 WeakPolarHBondContact O-CG 3.48Å; G363-K367 PolarHBondContact O-N 3.21Å; G363-G368 PolarHBondContact O-N 2.77Å
364	E	98.7	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.4	-40.1	-176.7	-53.3	94.8	135.7	0	0	112.1	L331 I335 L361 S362 A374	L331-E364 HydrophobicContact CB-CG 4.19Å; L331-E364 PolarHBondContact N-OE1 3.12Å; L331-E364 VanDerWaalsContact O-CG 3.28Å; L331-E364 WeakPolarHBondContact O-CG 3.24Å; I335-E364 HydrophobicContact CG1-CB 4.49Å; I335-E364 HydrophobicContact CG1-CG 4.27Å; L361-E364 HydrophobicContact CB-CB 4.35Å; L361-E364 HydrophobicContact CD2-CB 3.92Å; L361-E364 HydrophobicContact CD2-CG 3.96Å; S362-E364 WeakPolarHBondContact CA-OE2 3.48Å; S362-E364 PolarHBondContact N-OE2 3.44Å; S362-E364 PolarHBondContact O-N 3.23Å; E364-A374 HydrophobicContact CB-CB 4.08Å
365	T	98.8	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-101.8	-26.2	179	55.1	0	0	0	0	113.6	C49 T50 S55 M64 L361 G363 V375	C49-T365 HydrophobicContact CB-CG2 4.16Å; T50-T365 PolarHBondContact N-OG1 2.95Å; T50-T365 CarbonylContact O-C 3.58Å; T50-T365 WeakPolarHBondContact O-CB 3.41Å; T50-T365 PolarHBondContact O-OG1 2.82Å; S55-T365 WeakPolarHBondContact CB-O 3.29Å; S55-T365 PolarHBondContact OG-O 3.15Å; M64-T365 HydrophobicContact CE-CG2 3.82Å; L361-T365 HydrophobicContact CB-CG2 3.71Å; L361-T365 HydrophobicContact CD1-CG2 3.53Å; L361-T365 HydrophobicContact CG-CG2 4.22Å; G363-T365 VanDerWaalsContact C-N 3.26Å; G363-T365 PolarHBondContact O-N 2.9Å; T365-V375 HydrophobicContact CG2-CG2 3.96Å
366	A	98.1	Very high	98.5	Very high	15 Å²	15	27.2 Å²	27.2	12%	0.124	13%	0.132	C	C	.	.	H	α-helix	trans	-76.9	-40.8	-177.1	0	0	0	0	0	112.5	T50 G52 P53 A54 S362 G363	T50-A366 HydrophobicContact CG2-CB 3.91Å; T50-A366 WeakPolarHBondContact O-CA 3.26Å; T50-A366 PolarHBondContact O-N 2.95Å; G52-A366 CarbonylContact C-O 3.57Å; G52-A366 VanDerWaalsContact CA-O 3.3Å; G52-A366 WeakPolarHBondContact CA-O 3.18Å; P53-A366 VanDerWaalsContact CD-O 3.29Å; P53-A366 WeakPolarHBondContact CD-O 3.15Å; P53-A366 VanDerWaalsContact N-O 3.13Å; A54-A366 PolarHBondContact N-O 2.67Å; S362-A366 VanDerWaalsContact O-CB 3.22Å; S362-A366 WeakPolarHBondContact O-CB 3.48Å; S362-A366 PolarHBondContact O-N 2.82Å; S362-A366 VanDerWaalsContact O-N 3.11Å; G363-A366 PolarHBondContact O-N 2.76Å
367	K	97.1	Very high	98.5	Very high	138 Å²	138	28.1 Å²	28.1	60%	0.6	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-0.9	-171.6	65.8	177.3	-178.8	-177.7	0	114.3	G363	G363-K367 WeakPolarHBondContact O-CG 3.48Å; G363-K367 PolarHBondContact O-N 3.21Å
368	G	97.6	Very high	98.5	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	14%	0.136	C	C	.	.			trans	-74.3	158	-177.9	0	0	0	0	0	113.5	A54 I335 G363 Y370	A54-G368 WeakPolarHBondContact CB-O 3.33Å; I335-G368 WeakPolarHBondContact O-CA 3.48Å; G363-G368 PolarHBondContact O-N 2.77Å; G368-Y370 VanDerWaalsContact C-N 3.29Å
369	D	98.6	Very high	98.5	Very high	91 Å²	91	30.1 Å²	30.1	49%	0.487	15%	0.146	S	C	.	.	S	Bend	trans	-79.5	-15.8	179.1	-53.9	-23.2	0	0	0	111.5	I335 K336 P371	I335-D369 PolarHBondContact O-N 3.47Å; K336-D369 WeakPolarHBondContact CD-OD2 3.49Å; K336-D369 IonicContact NZ-OD1 2.71Å; K336-D369 PolarHBondContact NZ-OD1 3.36Å; K336-D369 IonicContact NZ-OD2 2.75Å; K336-D369 PolarHBondContact NZ-OD2 2.73Å; D369-P371 VanDerWaalsContact C-CD 3.45Å
370	Y	98.7	Very high	98.5	Very high	77 Å²	77	34.5 Å²	34.5	30%	0.302	17%	0.169	S	C	.	.			trans	-129.2	53.8	-175.4	-57.6	-76	0	0	0	114.1	K337 P338 G368 L372 E373 A374	K337-Y370 VanDerWaalsContact C-CE2 3.42Å; K337-Y370 WeakPolarHBondContact O-CD2 3.3Å; P338-Y370 HydrophobicContact CB-CD1 3.99Å; P338-Y370 HydrophobicContact CB-CD2 4.46Å; P338-Y370 HydrophobicContact CB-CE1 3.73Å; P338-Y370 HydrophobicContact CB-CE2 4.22Å; P338-Y370 HydrophobicContact CB-CG 4.34Å; G368-Y370 VanDerWaalsContact C-N 3.29Å; Y370-L372 VanDerWaalsContact C-N 3.32Å; Y370-L372 PolarHBondContact O-N 2.81Å; Y370-E373 PolarHBondContact O-N 2.67Å; Y370-A374 PolarHBondContact O-N 3.04Å; Y370-A374 VanDerWaalsContact O-N 3.1Å
371	P	98.8	Very high	98.5	Very high	14 Å²	14	35.5 Å²	35.5	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-34.6	-173.9	26.7	-35.2	0	0	0	112.8	D369 V375	D369-P371 VanDerWaalsContact C-CD 3.45Å; P371-V375 WeakPolarHBondContact O-CG2 3.48Å; P371-V375 PolarHBondContact O-N 2.8Å
372	L	98.9	Very high	98.5	Very high	33 Å²	33	35.5 Å²	35.5	17%	0.173	17%	0.174	C	C	.	.	H	α-helix	trans	-73.5	-42.7	-179.2	-59.4	-176.7	0	0	0	111.5	T60 E63 M64 Y370 A374 V375 R376	T60-L372 HydrophobicContact CG2-CD2 4.19Å; E63-L372 HydrophobicContact CB-CD1 3.8Å; E63-L372 HydrophobicContact CB-CD2 3.71Å; E63-L372 HydrophobicContact CB-CG 4.44Å; E63-L372 HydrophobicContact CG-CD1 4.47Å; M64-L372 HydrophobicContact CB-CD2 4.42Å; M64-L372 HydrophobicContact CG-CD2 3.56Å; Y370-L372 VanDerWaalsContact C-N 3.32Å; Y370-L372 PolarHBondContact O-N 2.81Å; L372-A374 VanDerWaalsContact C-N 3.32Å; L372-A374 PolarHBondContact O-N 2.98Å; L372-V375 PolarHBondContact O-N 3.21Å; L372-R376 VanDerWaalsContact O-CG 3.28Å; L372-R376 WeakPolarHBondContact O-CG 3.03Å; L372-R376 PolarHBondContact O-N 2.9Å
373	E	98.9	Very high	98.5	Very high	63 Å²	63	37 Å²	37	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-64.3	-37.9	178.6	-67.2	61.7	-140	0	0	111.1	M334 Y370 R376 M377	M334-E373 HydrophobicContact CE-CB 3.78Å; Y370-E373 PolarHBondContact O-N 2.67Å; E373-R376 PolarHBondContact O-N 3.08Å; E373-R376 IonicContact OE1-NH1 3.69Å; E373-R376 PolarHBondContact OE1-NH1 3.3Å; E373-M377 VanDerWaalsContact O-CB 3.26Å; E373-M377 WeakPolarHBondContact O-CB 3.33Å; E373-M377 PolarHBondContact O-N 2.86Å
374	A	98.9	Very high	98.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-44.8	175.2	0	0	0	0	0	111.8	L331 M334 L361 E364 Y370 L372 M377 Q378	L331-A374 WeakPolarHBondContact CD1-O 3.22Å; M334-A374 HydrophobicContact CB-CB 4.49Å; M334-A374 HydrophobicContact CE-CB 4.47Å; L361-A374 HydrophobicContact CD1-CB 3.91Å; L361-A374 HydrophobicContact CD2-CB 4.35Å; E364-A374 HydrophobicContact CB-CB 4.08Å; Y370-A374 PolarHBondContact O-N 3.04Å; Y370-A374 VanDerWaalsContact O-N 3.1Å; L372-A374 VanDerWaalsContact C-N 3.32Å; L372-A374 PolarHBondContact O-N 2.98Å; A374-M377 PolarHBondContact O-N 2.79Å; A374-Q378 PolarHBondContact O-N 2.92Å
375	V	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-46.2	175.4	177.3	0	0	0	0	111.1	I47 C49 M64 L361 T365 P371 L372 M377 Q378 H379	I47-V375 HydrophobicContact CG2-CG1 4.41Å; C49-V375 VanDerWaalsContact SG-CG2 3.58Å; M64-V375 HydrophobicContact CE-CG2 3.99Å; L361-V375 HydrophobicContact CD1-CG2 3.97Å; T365-V375 HydrophobicContact CG2-CG2 3.96Å; P371-V375 WeakPolarHBondContact O-CG2 3.48Å; P371-V375 PolarHBondContact O-N 2.8Å; L372-V375 PolarHBondContact O-N 3.21Å; V375-M377 VanDerWaalsContact C-N 3.29Å; V375-M377 PolarHBondContact O-N 2.85Å; V375-Q378 PolarHBondContact O-N 3.25Å; V375-H379 PolarHBondContact O-N 2.83Å
376	R	98.9	Very high	98.7	Very high	97 Å²	97	41.5 Å²	41.5	37%	0.366	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-40.2	177.2	-68.4	169	-168.9	151.9	-1.1	111.4	S67 L372 E373 H379 L380	S67-R376 PolarHBondContact OG-NE 2.82Å; L372-R376 VanDerWaalsContact O-CG 3.28Å; L372-R376 WeakPolarHBondContact O-CG 3.03Å; L372-R376 PolarHBondContact O-N 2.9Å; E373-R376 PolarHBondContact O-N 3.08Å; E373-R376 IonicContact OE1-NH1 3.69Å; E373-R376 PolarHBondContact OE1-NH1 3.3Å; R376-H379 WeakPolarHBondContact O-CB 3.4Å; R376-H379 PolarHBondContact O-N 3.09Å; R376-L380 VanDerWaalsContact O-CG 3.25Å; R376-L380 WeakPolarHBondContact O-CG 3.31Å; R376-L380 PolarHBondContact O-N 3.09Å
377	M	98.9	Very high	98.7	Very high	19 Å²	19	41.2 Å²	41.2	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-46.6	179.2	-176.1	55.6	61	0	0	111.5	L331 M334 R339 P340 E373 A374 V375 H379 L380 I381	L331-M377 HydrophobicContact CD1-CB 3.83Å; L331-M377 HydrophobicContact CD1-CG 3.8Å; L331-M377 HydrophobicContact CD2-CG 4.22Å; M334-M377 HydrophobicContact SD-CB 4.14Å; M334-M377 HydrophobicContact SD-CG 4.15Å; R339-M377 VanDerWaalsContact NH1-CE 3.28Å; P340-M377 HydrophobicContact CG-CE 4.01Å; P340-M377 HydrophobicContact CG-CG 3.88Å; P340-M377 HydrophobicContact CG-SD 3.94Å; E373-M377 VanDerWaalsContact O-CB 3.26Å; E373-M377 WeakPolarHBondContact O-CB 3.33Å; E373-M377 PolarHBondContact O-N 2.86Å; A374-M377 PolarHBondContact O-N 2.79Å; V375-M377 VanDerWaalsContact C-N 3.29Å; V375-M377 PolarHBondContact O-N 2.85Å; M377-H379 VanDerWaalsContact C-N 3.33Å; M377-H379 PolarHBondContact O-N 3.43Å; M377-L380 PolarHBondContact O-N 2.98Å; M377-I381 HydrophobicContact CG-CD1 3.69Å; M377-I381 HydrophobicContact CG-CG1 4.46Å; M377-I381 WeakPolarHBondContact O-CG1 3.48Å; M377-I381 PolarHBondContact O-N 3.25Å; M377-I381 HydrophobicContact SD-CD1 3.6Å; M377-I381 HydrophobicContact SD-CG1 3.92Å
378	Q	98.8	Very high	98.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-42.7	173.3	-78.5	-162.8	-22.5	0	0	112.2	I47 L331 I359 L361 A374 V375 L380 A382	I47-Q378 HydrophobicContact CD1-CB 3.9Å; I47-Q378 HydrophobicContact CG1-CB 4.14Å; L331-Q378 HydrophobicContact CD1-CG 3.71Å; L331-Q378 HydrophobicContact CG-CG 4.39Å; I359-Q378 HydrophobicContact CD1-CB 3.74Å; I359-Q378 HydrophobicContact CD1-CG 3.92Å; L361-Q378 HydrophobicContact CD1-CG 4.3Å; L361-Q378 HydrophobicContact CD2-CG 4.13Å; L361-Q378 VanDerWaalsContact CD2-NE2 3.34Å; L361-Q378 VanDerWaalsContact CG-CD 3.47Å; L361-Q378 HydrophobicContact CG-CG 4.3Å; A374-Q378 PolarHBondContact O-N 2.92Å; V375-Q378 PolarHBondContact O-N 3.25Å; Q378-L380 PolarHBondContact O-N 3.11Å; Q378-A382 WeakPolarHBondContact O-CB 3.45Å; Q378-A382 PolarHBondContact O-N 3.03Å
379	H	98.9	Very high	98.8	Very high	47 Å²	47	35.7 Å²	35.7	22%	0.218	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-47.3	176.7	172.1	81.1	0	0	0	112.2	I47 V375 R376 M377 R383	I47-H379 HydrophobicContact CD1-CB 3.97Å; V375-H379 PolarHBondContact O-N 2.83Å; R376-H379 WeakPolarHBondContact O-CB 3.4Å; R376-H379 PolarHBondContact O-N 3.09Å; M377-H379 VanDerWaalsContact C-N 3.33Å; M377-H379 PolarHBondContact O-N 3.43Å; H379-R383 VanDerWaalsContact CE1-CD 3.49Å; H379-R383 WeakPolarHBondContact CE1-CD 3.48Å; H379-R383 VanDerWaalsContact NE2-CD 3.31Å; H379-R383 WeakPolarHBondContact NE2-CD 3.28Å; H379-R383 WeakPolarHBondContact O-CG 3.5Å; H379-R383 PolarHBondContact O-N 3.01Å
380	L	98.9	Very high	98.8	Very high	91 Å²	91	32.4 Å²	32.4	48%	0.476	15%	0.153	S	C	.	.	H	α-helix	trans	-65.4	-51	-179	-70.1	169.9	0	0	0	111.5	R376 M377 Q378 A382 R383 E384	R376-L380 VanDerWaalsContact O-CG 3.25Å; R376-L380 WeakPolarHBondContact O-CG 3.31Å; R376-L380 PolarHBondContact O-N 3.09Å; M377-L380 PolarHBondContact O-N 2.98Å; Q378-L380 PolarHBondContact O-N 3.11Å; L380-A382 VanDerWaalsContact C-N 3.32Å; L380-A382 PolarHBondContact O-N 3.39Å; L380-R383 PolarHBondContact O-N 2.95Å; L380-E384 PolarHBondContact O-N 3.06Å
381	I	98.9	Very high	98.7	Very high	24 Å²	24	29 Å²	29	12%	0.123	14%	0.139	C	C	.	.	H	α-helix	trans	-62.3	-41.8	-179.2	-62.9	163.6	0	0	0	110.9	V348 A349 M377 R383 E384 A385	V348-I381 HydrophobicContact CB-CB 4.42Å; V348-I381 HydrophobicContact CB-CD1 4.14Å; V348-I381 HydrophobicContact CB-CG2 3.9Å; V348-I381 HydrophobicContact CG1-CB 3.9Å; V348-I381 HydrophobicContact CG1-CD1 4.32Å; V348-I381 HydrophobicContact CG1-CG2 3.66Å; A349-I381 HydrophobicContact CB-CG2 3.75Å; M377-I381 HydrophobicContact CG-CD1 3.69Å; M377-I381 HydrophobicContact CG-CG1 4.46Å; M377-I381 WeakPolarHBondContact O-CG1 3.48Å; M377-I381 PolarHBondContact O-N 3.25Å; M377-I381 HydrophobicContact SD-CD1 3.6Å; M377-I381 HydrophobicContact SD-CG1 3.92Å; I381-R383 PolarHBondContact O-N 3.44Å; I381-E384 PolarHBondContact O-N 2.73Å; I381-A385 WeakPolarHBondContact O-CB 3.24Å; I381-A385 PolarHBondContact O-N 2.71Å
382	A	98.9	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-41.4	-179.9	0	0	0	0	0	112.4	R43 V352 I359 Q378 L380 E384 A385 E386	R43-A382 HydrophobicContact CG-CB 4.04Å; V352-A382 HydrophobicContact CG2-CB 4.18Å; I359-A382 HydrophobicContact CD1-CB 4.25Å; Q378-A382 WeakPolarHBondContact O-CB 3.45Å; Q378-A382 PolarHBondContact O-N 3.03Å; L380-A382 VanDerWaalsContact C-N 3.32Å; L380-A382 PolarHBondContact O-N 3.39Å; A382-E384 PolarHBondContact O-N 2.91Å; A382-A385 PolarHBondContact O-N 3.1Å; A382-E386 VanDerWaalsContact O-CB 3.24Å; A382-E386 WeakPolarHBondContact O-CB 3.48Å; A382-E386 WeakPolarHBondContact O-CG 3.22Å; A382-E386 PolarHBondContact O-N 3.03Å
383	R	98.8	Very high	98.2	Very high	52 Å²	52	37.8 Å²	37.8	20%	0.196	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-42.2	177	-75.9	178.4	60	-155.9	-9.8	112.7	P39 I40 T41 R43 H379 L380 I381 A387	P39-R383 HydrophobicContact CB-CB 4.27Å; P39-R383 HydrophobicContact CG-CB 4.19Å; I40-R383 PolarHBondContact O-NE 2.7Å; I40-R383 PolarHBondContact O-NH2 3.29Å; T41-R383 PolarHBondContact O-NE 2.72Å; R43-R383 HydrophobicContact CB-CG 3.47Å; R43-R383 VanDerWaalsContact CB-CG 3.47Å; R43-R383 HydrophobicContact CG-CG 3.67Å; H379-R383 VanDerWaalsContact CE1-CD 3.49Å; H379-R383 WeakPolarHBondContact CE1-CD 3.48Å; H379-R383 VanDerWaalsContact NE2-CD 3.31Å; H379-R383 WeakPolarHBondContact NE2-CD 3.28Å; H379-R383 WeakPolarHBondContact O-CG 3.5Å; H379-R383 PolarHBondContact O-N 3.01Å; L380-R383 PolarHBondContact O-N 2.95Å; I381-R383 PolarHBondContact O-N 3.44Å; R383-A387 PolarHBondContact O-N 3.09Å
384	E	98.9	Very high	98.2	Very high	93 Å²	93	36.6 Å²	36.6	44%	0.435	17%	0.166	S	C	.	.	H	α-helix	trans	-66.1	-48	177.2	-64.5	-62.1	170.9	0	0	111.2	P39 L380 I381 A382 E386 A387 A388	P39-E384 WeakPolarHBondContact CD-OE1 3.35Å; P39-E384 WeakPolarHBondContact CD-OE2 3.31Å; P39-E384 WeakPolarHBondContact CG-OE1 3.28Å; L380-E384 PolarHBondContact O-N 3.06Å; I381-E384 PolarHBondContact O-N 2.73Å; A382-E384 PolarHBondContact O-N 2.91Å; E384-E386 VanDerWaalsContact C-N 3.3Å; E384-E386 PolarHBondContact O-N 3.34Å; E384-A387 PolarHBondContact O-N 2.73Å; E384-A388 PolarHBondContact O-N 2.99Å
385	A	98.9	Very high	98.1	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-33.8	178.8	0	0	0	0	0	112.5	A349 V352 L353 I381 A382 A388 M389	A349-A385 HydrophobicContact CB-CB 4.16Å; V352-A385 HydrophobicContact CB-CB 3.78Å; V352-A385 HydrophobicContact CG1-CB 3.66Å; L353-A385 VanDerWaalsContact CD2-O 3.29Å; L353-A385 WeakPolarHBondContact CD2-O 3.31Å; L353-A385 HydrophobicContact CG-CB 4.34Å; I381-A385 WeakPolarHBondContact O-CB 3.24Å; I381-A385 PolarHBondContact O-N 2.71Å; A382-A385 PolarHBondContact O-N 3.1Å; A385-A388 PolarHBondContact O-N 3.33Å; A385-M389 PolarHBondContact O-N 2.99Å
386	E	98.9	Very high	98.1	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-61.8	-45	172.2	-79.6	156.4	-160.7	0	0	111.9	R43 N44 T45 V352 A382 E384 A388 M389 H391 R467	R43-E386 WeakPolarHBondContact CA-OE2 3.38Å; N44-E386 HydrophobicContact CB-CG 4.29Å; N44-E386 VanDerWaalsContact N-CD 3.25Å; N44-E386 PolarHBondContact N-OE1 2.96Å; N44-E386 VanDerWaalsContact N-OE1 3.11Å; N44-E386 PolarHBondContact N-OE2 2.86Å; T45-E386 VanDerWaalsContact CB-OE1 3.23Å; T45-E386 WeakPolarHBondContact CB-OE1 3.41Å; T45-E386 PolarHBondContact N-OE1 2.87Å; T45-E386 PolarHBondContact OG1-OE1 3.36Å; V352-E386 HydrophobicContact CG1-CG 3.97Å; A382-E386 VanDerWaalsContact O-CB 3.24Å; A382-E386 WeakPolarHBondContact O-CB 3.48Å; A382-E386 WeakPolarHBondContact O-CG 3.22Å; A382-E386 PolarHBondContact O-N 3.03Å; E384-E386 VanDerWaalsContact C-N 3.3Å; E384-E386 PolarHBondContact O-N 3.34Å; E386-A388 VanDerWaalsContact C-N 3.31Å; E386-A388 PolarHBondContact O-N 2.83Å; E386-M389 PolarHBondContact O-N 3.12Å; E386-H391 PolarHBondContact O-CE1 3.49Å; E386-R467 VanDerWaalsContact CG-NH2 3.29Å
387	A	98.6	Very high	98	Very high	8 Å²	8	41.2 Å²	41.2	7%	0.066	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-37.9	176	0	0	0	0	0	111.8	Q17 P39 R383 E384 M389	Q17-A387 HydrophobicContact CG-CB 3.93Å; P39-A387 HydrophobicContact CB-CB 4.12Å; R383-A387 PolarHBondContact O-N 3.09Å; E384-A387 PolarHBondContact O-N 2.73Å; A387-M389 VanDerWaalsContact C-N 3.26Å; A387-M389 PolarHBondContact O-N 2.92Å
388	A	98.8	Very high	98	Very high	18 Å²	18	41.1 Å²	41.1	15%	0.149	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.7	179.1	0	0	0	0	0	114.8	H29 L33 L353 E384 A385 E386	H29-A388 PolarHBondContact CE1-O 3.45Å; H29-A388 PolarHBondContact NE2-O 3.02Å; L33-A388 HydrophobicContact CD2-CB 3.81Å; L353-A388 HydrophobicContact CD2-CB 4.25Å; E384-A388 PolarHBondContact O-N 2.99Å; A385-A388 PolarHBondContact O-N 3.33Å; E386-A388 VanDerWaalsContact C-N 3.31Å; E386-A388 PolarHBondContact O-N 2.83Å
389	M	98.4	Very high	97.8	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.034	21%	0.205	C	C	.	.	S	Bend	trans	-68.2	136.8	176.1	-80.3	-153.1	-46.6	0	0	112.5	L353 A385 E386 A387 H391 L394 R467	L353-M389 HydrophobicContact CD2-CG 3.88Å; A385-M389 PolarHBondContact O-N 2.99Å; E386-M389 PolarHBondContact O-N 3.12Å; A387-M389 VanDerWaalsContact C-N 3.26Å; A387-M389 PolarHBondContact O-N 2.92Å; M389-H391 WeakPolarHBondContact CE-NE2 3.26Å; M389-H391 PolarHBondContact O-N 2.66Å; M389-H391 PolarHBondContact O-ND1 2.66Å; M389-L394 HydrophobicContact CE-CD2 4.08Å; M389-L394 HydrophobicContact SD-CD2 4.04Å; M389-R467 VanDerWaalsContact CE-CZ 3.49Å; M389-R467 VanDerWaalsContact SD-CZ 3.59Å; M389-R467 PolarHBondContact SD-NH2 2.7Å
390	F	98.4	Very high	97.7	Very high	23 Å²	23	48.6 Å²	48.6	10%	0.101	22%	0.223	C	C	.	.			trans	-80.7	68.7	173.3	-166.2	-146.9	0	0	0	112.4	A23 F26 H29 R392 K393 L394	A23-F390 WeakPolarHBondContact O-CE2 3.46Å; A23-F390 WeakPolarHBondContact O-CZ 3.42Å; F26-F390 HydrophobicContact CB-CD1 4.29Å; F26-F390 HydrophobicContact CB-CE1 4.41Å; F26-F390 HydrophobicContact CD2-CB 4.21Å; F26-F390 AromaticContact CD2-CD1 3.94Å; F26-F390 HydrophobicContact CD2-CD1 3.94Å; F26-F390 HydrophobicContact CD2-CG 4.42Å; H29-F390 HydrophobicContact CB-CD2 4.12Å; H29-F390 HydrophobicContact CB-CE2 4.31Å; H29-F390 HydrophobicContact CB-CG 4.3Å; H29-F390 AromaticContact CG-CD2 3.81Å; H29-F390 AromaticContact CG-CG 3.92Å; H29-F390 AromaticContact ND1-CD2 3.71Å; F390-R392 VanDerWaalsContact C-N 3.3Å; F390-R392 HydrophobicContact CE2-CB 4.39Å; F390-R392 PolarHBondContact O-N 3.01Å; F390-K393 HydrophobicContact CD1-CB 3.41Å; F390-K393 VanDerWaalsContact CD1-CB 3.41Å; F390-K393 HydrophobicContact CD1-CD 3.9Å; F390-K393 HydrophobicContact CD1-CG 4.28Å; F390-K393 HydrophobicContact CE1-CB 3.56Å; F390-K393 HydrophobicContact CE1-CD 4.04Å; F390-K393 HydrophobicContact CE1-CG 4.4Å; F390-K393 HydrophobicContact CG-CB 4.17Å; F390-K393 HydrophobicContact CZ-CB 4.39Å; F390-K393 PolarHBondContact O-N 2.87Å; F390-L394 PolarHBondContact O-N 3.42Å; F390-L394 VanDerWaalsContact O-N 3.15Å
391	H	96.2	Very high	97.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-38	-171	-68.6	87.1	0	0	0	114.5	E386 M389 K393 L394 F395 Y421	E386-H391 PolarHBondContact O-CE1 3.49Å; M389-H391 WeakPolarHBondContact CE-NE2 3.26Å; M389-H391 PolarHBondContact O-N 2.66Å; M389-H391 PolarHBondContact O-ND1 2.66Å; H391-K393 PolarHBondContact O-N 3.25Å; H391-L394 PolarHBondContact O-N 2.86Å; H391-F395 VanDerWaalsContact O-CB 3.29Å; H391-F395 WeakPolarHBondContact O-CB 3.41Å; H391-F395 PolarHBondContact O-N 3.28Å; H391-Y421 HydrophobicContact CB-CE1 3.82Å; H391-Y421 PolarHBondContact CD2-OH 3.23Å
392	R	92.1	Very high	97.1	Very high	150 Å²	150	46.6 Å²	46.6	57%	0.566	22%	0.222	S	C	*	.	H	α-helix	trans	-57.5	-50.1	-179.3	-178.7	177.4	176.9	174.1	-2.9	111.2	F390 E396	F390-R392 VanDerWaalsContact C-N 3.3Å; F390-R392 HydrophobicContact CE2-CB 4.39Å; F390-R392 PolarHBondContact O-N 3.01Å; R392-E396 WeakPolarHBondContact O-CB 3.4Å; R392-E396 PolarHBondContact O-N 2.97Å
393	K	96.1	Very high	96.5	Very high	83 Å²	83	50.8 Å²	50.8	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-67.3	-45.3	178.1	-179	177.1	173.4	-178.1	0	111.5	F390 H391 F395 E396 E397	F390-K393 HydrophobicContact CD1-CB 3.41Å; F390-K393 VanDerWaalsContact CD1-CB 3.41Å; F390-K393 HydrophobicContact CD1-CD 3.9Å; F390-K393 HydrophobicContact CD1-CG 4.28Å; F390-K393 HydrophobicContact CE1-CB 3.56Å; F390-K393 HydrophobicContact CE1-CD 4.04Å; F390-K393 HydrophobicContact CE1-CG 4.4Å; F390-K393 HydrophobicContact CG-CB 4.17Å; F390-K393 HydrophobicContact CZ-CB 4.39Å; F390-K393 PolarHBondContact O-N 2.87Å; H391-K393 PolarHBondContact O-N 3.25Å; K393-F395 PolarHBondContact O-N 2.93Å; K393-E396 PolarHBondContact O-N 3.48Å; K393-E397 WeakPolarHBondContact CE-OE1 3.39Å; K393-E397 HydrophobicContact CG-CG 4.49Å; K393-E397 IonicContact NZ-OE1 2.72Å; K393-E397 WeakPolarHBondContact O-CG 3.28Å; K393-E397 PolarHBondContact O-N 3.35Å
394	L	97.9	Very high	95.9	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.199	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-47.7	179.7	177	60.4	0	0	0	112	M389 F390 H391 E397 L398 R445	M389-L394 HydrophobicContact CE-CD2 4.08Å; M389-L394 HydrophobicContact SD-CD2 4.04Å; F390-L394 PolarHBondContact O-N 3.42Å; F390-L394 VanDerWaalsContact O-N 3.15Å; H391-L394 PolarHBondContact O-N 2.86Å; L394-E397 PolarHBondContact O-N 3.32Å; L394-L398 HydrophobicContact CD1-CD1 4Å; L394-L398 HydrophobicContact CD1-CG 4.22Å; L394-L398 HydrophobicContact CG-CD1 3.93Å; L394-L398 WeakPolarHBondContact O-CB 3.37Å; L394-L398 VanDerWaalsContact O-CG 3.27Å; L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.34Å; L394-R445 HydrophobicContact CD2-CB 3.94Å; L394-R445 HydrophobicContact CD2-CG 4.06Å; L394-R445 HydrophobicContact CG-CB 4.49Å
395	F	97.9	Very high	95.3	Very high	18 Å²	18	56.1 Å²	56.1	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-45.2	178.5	177.4	-103.5	0	0	0	111.6	H391 K393 E397 L398 V399 M414 V417 E418 Y421 Y444	H391-F395 VanDerWaalsContact O-CB 3.29Å; H391-F395 WeakPolarHBondContact O-CB 3.41Å; H391-F395 PolarHBondContact O-N 3.28Å; K393-F395 PolarHBondContact O-N 2.93Å; F395-E397 VanDerWaalsContact C-N 3.34Å; F395-E397 PolarHBondContact O-N 2.89Å; F395-L398 PolarHBondContact O-N 3.44Å; F395-V399 HydrophobicContact CD1-CG2 4.3Å; F395-V399 HydrophobicContact CD2-CG2 4.29Å; F395-V399 HydrophobicContact CE1-CG2 3.84Å; F395-V399 HydrophobicContact CE2-CG2 3.85Å; F395-V399 HydrophobicContact CZ-CG2 3.61Å; F395-V399 WeakPolarHBondContact O-CG2 3.41Å; F395-V399 PolarHBondContact O-N 3.13Å; F395-M414 HydrophobicContact CZ-CG 4.35Å; F395-V417 HydrophobicContact CD2-CG1 3.72Å; F395-V417 HydrophobicContact CE2-CB 3.98Å; F395-V417 HydrophobicContact CE2-CG1 3.53Å; F395-V417 HydrophobicContact CZ-CG1 4.43Å; F395-E418 HydrophobicContact CE1-CB 4.46Å; F395-E418 WeakPolarHBondContact CE1-OE2 3.49Å; F395-E418 HydrophobicContact CZ-CB 4.12Å; F395-Y421 HydrophobicContact CB-CE2 3.87Å; F395-Y421 HydrophobicContact CD1-CD2 4.43Å; F395-Y421 HydrophobicContact CD1-CE2 4.32Å; F395-Y421 AromaticContact CD2-CE2 3.89Å; F395-Y421 HydrophobicContact CD2-CE2 3.89Å; F395-Y421 HydrophobicContact CG-CD2 4.3Å; F395-Y421 AromaticContact CG-CE2 3.75Å; F395-Y421 HydrophobicContact CG-CE2 3.75Å; F395-Y444 HydrophobicContact CE2-CD1 4.12Å; F395-Y444 HydrophobicContact CE2-CG 4.34Å
396	E	97.3	Very high	94.7	Very high	85 Å²	85	62.7 Å²	62.7	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-40.9	177.6	-164.5	-168.9	151	0	0	112.5	R392 K393 R400	R392-E396 WeakPolarHBondContact O-CB 3.4Å; R392-E396 PolarHBondContact O-N 2.97Å; K393-E396 PolarHBondContact O-N 3.48Å; E396-R400 VanDerWaalsContact CG-NH2 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.15Å; E396-R400 PolarHBondContact O-N 3.45Å; E396-R400 VanDerWaalsContact O-N 3.09Å; E396-R400 PolarHBondContact O-NE 2.98Å; E396-R400 IonicContact OE1-CZ 2.69Å; E396-R400 IonicContact OE1-NH1 2.79Å; E396-R400 PolarHBondContact OE1-NH1 3.13Å; E396-R400 IonicContact OE1-NH2 3.47Å; E396-R400 PolarHBondContact OE1-NH2 2.98Å; E396-R400 IonicContact OE2-NH2 3.12Å
397	E	98	Very high	94.2	Very high	91 Å²	91	64.4 Å²	64.4	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-41.8	174.9	-73.1	176.6	179.6	0	0	112.3	K393 L394 F395 R400 A401	K393-E397 WeakPolarHBondContact CE-OE1 3.39Å; K393-E397 HydrophobicContact CG-CG 4.49Å; K393-E397 IonicContact NZ-OE1 2.72Å; K393-E397 WeakPolarHBondContact O-CG 3.28Å; K393-E397 PolarHBondContact O-N 3.35Å; L394-E397 PolarHBondContact O-N 3.32Å; F395-E397 VanDerWaalsContact C-N 3.34Å; F395-E397 PolarHBondContact O-N 2.89Å; E397-R400 PolarHBondContact O-N 3.34Å; E397-A401 VanDerWaalsContact O-CB 3.27Å; E397-A401 WeakPolarHBondContact O-CB 3.47Å; E397-A401 PolarHBondContact O-N 3.42Å
398	L	97.7	Very high	93.7	Very high	17 Å²	17	69.9 Å²	69.9	9%	0.089	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-42.6	177.1	-73	166.6	0	0	0	112.2	N318 L394 F395 A401 S402 Y444 R445	N318-L398 HydrophobicContact CB-CD2 4.35Å; L394-L398 HydrophobicContact CD1-CD1 4Å; L394-L398 HydrophobicContact CD1-CG 4.22Å; L394-L398 HydrophobicContact CG-CD1 3.93Å; L394-L398 WeakPolarHBondContact O-CB 3.37Å; L394-L398 VanDerWaalsContact O-CG 3.27Å; L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.34Å; F395-L398 PolarHBondContact O-N 3.44Å; L398-A401 PolarHBondContact O-N 3.22Å; L398-S402 PolarHBondContact O-N 2.92Å; L398-S402 VanDerWaalsContact O-N 3.1Å; L398-Y444 HydrophobicContact CB-CD1 4.48Å; L398-R445 HydrophobicContact CD1-CB 4.01Å; L398-R445 HydrophobicContact CD1-CG 3.58Å
399	V	96	Very high	93.3	Very high	46 Å²	46	69.5 Å²	69.5	28%	0.279	36%	0.356	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176.4	171.4	0	0	0	0	111.4	F395 A401 S402 M414 Y444	F395-V399 HydrophobicContact CD1-CG2 4.3Å; F395-V399 HydrophobicContact CD2-CG2 4.29Å; F395-V399 HydrophobicContact CE1-CG2 3.84Å; F395-V399 HydrophobicContact CE2-CG2 3.85Å; F395-V399 HydrophobicContact CZ-CG2 3.61Å; F395-V399 WeakPolarHBondContact O-CG2 3.41Å; F395-V399 PolarHBondContact O-N 3.13Å; V399-A401 VanDerWaalsContact C-N 3.33Å; V399-A401 PolarHBondContact O-N 2.95Å; V399-S402 PolarHBondContact O-N 3.41Å; V399-S402 PolarHBondContact O-OG 3.25Å; V399-M414 HydrophobicContact CG1-CE 4.19Å; V399-M414 HydrophobicContact CG1-SD 3.91Å; V399-M414 HydrophobicContact CG2-CE 4.38Å; V399-M414 HydrophobicContact CG2-CG 4.04Å; V399-M414 HydrophobicContact CG2-SD 4.08Å; V399-Y444 HydrophobicContact CG2-CD1 4.18Å; V399-Y444 HydrophobicContact CG2-CE1 4.14Å
400	R	95.9	Very high	93	Very high	158 Å²	158	70.1 Å²	70.1	60%	0.596	36%	0.359	S	S	*	.	H	α-helix	trans	-69.7	-30.7	176.8	-77.6	-172.1	-73.4	-128.9	-3.9	113.4	E396 E397	E396-R400 VanDerWaalsContact CG-NH2 3.29Å; E396-R400 WeakPolarHBondContact O-CG 3.15Å; E396-R400 PolarHBondContact O-N 3.45Å; E396-R400 VanDerWaalsContact O-N 3.09Å; E396-R400 PolarHBondContact O-NE 2.98Å; E396-R400 IonicContact OE1-CZ 2.69Å; E396-R400 IonicContact OE1-NH1 2.79Å; E396-R400 PolarHBondContact OE1-NH1 3.13Å; E396-R400 IonicContact OE1-NH2 3.47Å; E396-R400 PolarHBondContact OE1-NH2 2.98Å; E396-R400 IonicContact OE2-NH2 3.12Å; E397-R400 PolarHBondContact O-N 3.34Å
401	A	94.5	Very high	92.7	Very high	55 Å²	55	72 Å²	72	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-82.3	-15.6	-180	0	0	0	0	0	113.5	R319 E397 L398 V399	R319-A401 HydrophobicContact CG-CB 4.25Å; E397-A401 VanDerWaalsContact O-CB 3.27Å; E397-A401 WeakPolarHBondContact O-CB 3.47Å; E397-A401 PolarHBondContact O-N 3.42Å; L398-A401 PolarHBondContact O-N 3.22Å; V399-A401 VanDerWaalsContact C-N 3.33Å; V399-A401 PolarHBondContact O-N 2.95Å
402	S	90.4	Very high	92.7	Very high	17 Å²	17	73.7 Å²	73.7	12%	0.119	39%	0.387	C	S	.	.	S	Bend	trans	-78.4	139	175.9	61.6	0	0	0	0	110.6	L398 V399	L398-S402 PolarHBondContact O-N 2.92Å; L398-S402 VanDerWaalsContact O-N 3.1Å; V399-S402 PolarHBondContact O-N 3.41Å; V399-S402 PolarHBondContact O-OG 3.25Å
403	S	87	Confident	92.8	Very high	88 Å²	88	66.6 Å²	66.6	62%	0.615	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-72.7	147.2	173.4	51.2	0	0	0	0	110.7	S405	S403-S405 PolarHBondContact O-N 3.41Å
404	H	86.9	Confident	92.8	Very high	198 Å²	198	65.1 Å²	65.1	92%	0.917	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-55.5	136.2	165.7	-65.9	88	0	0	0	109.9
405	S	84.4	Confident	92.8	Very high	60 Å²	60	64.9 Å²	64.9	42%	0.42	36%	0.362	S	S	.	.			trans	-143.1	143.2	-171.3	178.5	0	0	0	0	109.2	S403 D407 E410	S403-S405 PolarHBondContact O-N 3.41Å; S405-D407 VanDerWaalsContact C-N 3.3Å; S405-D407 WeakPolarHBondContact OG-CB 3.22Å; S405-D407 PolarHBondContact OG-N 3.25Å; S405-D407 VanDerWaalsContact OG-N 3.1Å; S405-E410 WeakPolarHBondContact CB-OE2 3.46Å; S405-E410 PolarHBondContact OG-OE2 3.33Å
406	T	86.8	Confident	92.8	Very high	143 Å²	143	64 Å²	64	88%	0.877	36%	0.359	S	S	*	.			trans	-90.7	4	169.4	58.2	0	0	0	0	111.8	L408	T406-L408 PolarHBondContact O-N 3.27Å; T406-L408 VanDerWaalsContact O-N 3.12Å
407	D	88.8	Confident	92.9	Very high	46 Å²	46	60 Å²	60	25%	0.246	34%	0.34	C	S	.	.			trans	-68.7	106.3	172.6	-172.6	-8.1	0	0	0	109.4	S405 M409 E410 A411 R436	S405-D407 VanDerWaalsContact C-N 3.3Å; S405-D407 WeakPolarHBondContact OG-CB 3.22Å; S405-D407 PolarHBondContact OG-N 3.25Å; S405-D407 VanDerWaalsContact OG-N 3.1Å; D407-M409 PolarHBondContact O-N 3.32Å; D407-M409 WeakPolarHBondContact OD1-CB 3.45Å; D407-M409 PolarHBondContact OD1-N 3.01Å; D407-E410 HydrophobicContact CB-CB 4.22Å; D407-E410 WeakPolarHBondContact O-CB 3.4Å; D407-E410 PolarHBondContact O-N 3.23Å; D407-A411 PolarHBondContact O-N 2.81Å; D407-R436 IonicContact OD2-CZ 2.81Å; D407-R436 IonicContact OD2-NH2 3.87Å; D407-R436 PolarHBondContact OD2-NH2 3.46Å
408	L	88.6	Confident	92.9	Very high	122 Å²	122	60.4 Å²	60.4	64%	0.639	34%	0.342	S	S	*	.	H	α-helix	trans	-55.6	-33.4	178.8	-63.6	175.8	0	0	0	111.9	T406 E410 A411 M412	T406-L408 PolarHBondContact O-N 3.27Å; T406-L408 VanDerWaalsContact O-N 3.12Å; L408-E410 VanDerWaalsContact C-N 3.32Å; L408-E410 PolarHBondContact O-N 3Å; L408-A411 PolarHBondContact O-N 2.94Å; L408-M412 WeakPolarHBondContact O-CB 3.21Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 3.39Å
409	M	90.1	Very high	92.9	Very high	11 Å²	11	60.6 Å²	60.6	5%	0.054	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-37.7	179.2	-179.4	61.8	-134.9	0	0	111.7	D407 M412 A413 S437 Q440 V441 T522	D407-M409 PolarHBondContact O-N 3.32Å; D407-M409 WeakPolarHBondContact OD1-CB 3.45Å; D407-M409 PolarHBondContact OD1-N 3.01Å; M409-M412 PolarHBondContact O-N 3.24Å; M409-A413 HydrophobicContact CE-CB 4.03Å; M409-A413 WeakPolarHBondContact O-CB 3.39Å; M409-A413 PolarHBondContact O-N 3.19Å; M409-S437 WeakPolarHBondContact CE-O 3.34Å; M409-S437 VanDerWaalsContact SD-CB 3.6Å; M409-Q440 HydrophobicContact CE-CB 4.04Å; M409-Q440 HydrophobicContact CG-CB 4.22Å; M409-Q440 HydrophobicContact CG-CG 3.99Å; M409-V441 HydrophobicContact CE-CG2 4.39Å; M409-T522 HydrophobicContact CE-CG2 4.14Å; M409-T522 WeakPolarHBondContact SD-CB 3.48Å; M409-T522 HydrophobicContact SD-CG2 3.56Å; M409-T522 VanDerWaalsContact SD-CG2 3.56Å
410	E	91.4	Very high	93	Very high	19 Å²	19	58.6 Å²	58.6	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-43.2	179.4	-175.2	168.8	-162	0	0	111.1	S405 D407 L408 M412 A413 M414 R443	S405-E410 WeakPolarHBondContact CB-OE2 3.46Å; S405-E410 PolarHBondContact OG-OE2 3.33Å; D407-E410 HydrophobicContact CB-CB 4.22Å; D407-E410 WeakPolarHBondContact O-CB 3.4Å; D407-E410 PolarHBondContact O-N 3.23Å; L408-E410 VanDerWaalsContact C-N 3.32Å; L408-E410 PolarHBondContact O-N 3Å; E410-M412 PolarHBondContact O-N 3.38Å; E410-A413 PolarHBondContact O-N 3.3Å; E410-M414 PolarHBondContact O-N 3.21Å; E410-R443 IonicContact OE1-CZ 2.61Å; E410-R443 IonicContact OE1-NH1 2.73Å; E410-R443 PolarHBondContact OE1-NH1 3.31Å
411	A	93.1	Very high	93	Very high	62 Å²	62	53.2 Å²	53.2	51%	0.512	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-43.4	174.8	0	0	0	0	0	111.9	D407 L408 M414 G415	D407-A411 PolarHBondContact O-N 2.81Å; L408-A411 PolarHBondContact O-N 2.94Å; A411-M414 PolarHBondContact O-N 3.35Å; A411-G415 PolarHBondContact O-N 2.99Å
412	M	94.7	Very high	93.1	Very high	41 Å²	41	59.1 Å²	59.1	20%	0.202	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-40.2	177.5	-70.3	-61.9	-55.3	0	0	112.7	L408 M409 E410 S416 L512 N523 M525	L408-M412 WeakPolarHBondContact O-CB 3.21Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 3.39Å; M409-M412 PolarHBondContact O-N 3.24Å; E410-M412 PolarHBondContact O-N 3.38Å; M412-S416 VanDerWaalsContact O-CB 3.26Å; M412-S416 WeakPolarHBondContact O-CB 3.26Å; M412-S416 PolarHBondContact O-N 3.42Å; M412-S416 PolarHBondContact O-OG 2.89Å; M412-L512 HydrophobicContact CE-CD2 4.1Å; M412-N523 WeakPolarHBondContact CE-O 3.17Å; M412-M525 HydrophobicContact CE-CB 3.42Å; M412-M525 VanDerWaalsContact CE-CB 3.42Å
413	A	96.1	Very high	93.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.8	-50.8	175.7	0	0	0	0	0	110.9	M409 E410 G415 S416 V417 Q440 V441 Y444	M409-A413 HydrophobicContact CE-CB 4.03Å; M409-A413 WeakPolarHBondContact O-CB 3.39Å; M409-A413 PolarHBondContact O-N 3.19Å; E410-A413 PolarHBondContact O-N 3.3Å; A413-G415 PolarHBondContact O-N 3.17Å; A413-S416 PolarHBondContact O-N 3.12Å; A413-S416 PolarHBondContact O-OG 3.2Å; A413-V417 WeakPolarHBondContact O-CG2 3.25Å; A413-V417 PolarHBondContact O-N 3.3Å; A413-V417 VanDerWaalsContact O-N 3.1Å; A413-Q440 HydrophobicContact CB-CB 3.78Å; A413-V441 HydrophobicContact CB-CG2 4.05Å; A413-Y444 HydrophobicContact CB-CD2 4.19Å; A413-Y444 HydrophobicContact CB-CE2 4.23Å
414	M	96.1	Very high	93.8	Very high	53 Å²	53	61.7 Å²	61.7	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-58.8	-49.7	178.1	-172.6	-170.6	-62.2	0	0	111.8	F395 V399 E410 A411 S416 V417 E418 Y444	F395-M414 HydrophobicContact CZ-CG 4.35Å; V399-M414 HydrophobicContact CG1-CE 4.19Å; V399-M414 HydrophobicContact CG1-SD 3.91Å; V399-M414 HydrophobicContact CG2-CE 4.38Å; V399-M414 HydrophobicContact CG2-CG 4.04Å; V399-M414 HydrophobicContact CG2-SD 4.08Å; E410-M414 PolarHBondContact O-N 3.21Å; A411-M414 PolarHBondContact O-N 3.35Å; M414-S416 VanDerWaalsContact C-N 3.29Å; M414-S416 PolarHBondContact O-N 3.23Å; M414-V417 PolarHBondContact O-N 3.49Å; M414-E418 PolarHBondContact O-N 3.35Å; M414-Y444 HydrophobicContact CB-CD2 4.3Å; M414-Y444 HydrophobicContact CB-CE1 4.26Å; M414-Y444 HydrophobicContact CB-CE2 3.89Å; M414-Y444 HydrophobicContact CE-CE1 3.81Å; M414-Y444 WeakPolarHBondContact CE-OH 3.45Å; M414-Y444 HydrophobicContact CG-CD1 4.45Å; M414-Y444 HydrophobicContact CG-CE1 4.12Å
415	G	97.3	Very high	94.3	Very high	33 Å²	33	52.7 Å²	52.7	34%	0.34	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-36	179.4	0	0	0	0	0	113.2	A411 A413 A419	A411-G415 PolarHBondContact O-N 2.99Å; A413-G415 PolarHBondContact O-N 3.17Å; G415-A419 WeakPolarHBondContact O-CB 3.45Å; G415-A419 PolarHBondContact O-N 2.89Å
416	S	98.1	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-37.3	176.7	73.6	0	0	0	0	113.4	M412 A413 M414 S420 M525	M412-S416 VanDerWaalsContact O-CB 3.26Å; M412-S416 WeakPolarHBondContact O-CB 3.26Å; M412-S416 PolarHBondContact O-N 3.42Å; M412-S416 PolarHBondContact O-OG 2.89Å; A413-S416 PolarHBondContact O-N 3.12Å; A413-S416 PolarHBondContact O-OG 3.2Å; M414-S416 VanDerWaalsContact C-N 3.29Å; M414-S416 PolarHBondContact O-N 3.23Å; S416-S420 WeakPolarHBondContact O-CB 3.42Å; S416-S420 PolarHBondContact O-N 3.18Å; S416-M525 WeakPolarHBondContact CA-SD 3.36Å
417	V	98.3	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-72.4	-41.7	177.7	173.5	0	0	0	0	110.5	F395 A413 M414 A419 S420 Y421 L428 V441 P446	F395-V417 HydrophobicContact CD2-CG1 3.72Å; F395-V417 HydrophobicContact CE2-CB 3.98Å; F395-V417 HydrophobicContact CE2-CG1 3.53Å; F395-V417 HydrophobicContact CZ-CG1 4.43Å; A413-V417 WeakPolarHBondContact O-CG2 3.25Å; A413-V417 PolarHBondContact O-N 3.3Å; A413-V417 VanDerWaalsContact O-N 3.1Å; M414-V417 PolarHBondContact O-N 3.49Å; V417-A419 PolarHBondContact O-N 3.05Å; V417-S420 WeakPolarHBondContact O-CB 3.32Å; V417-S420 PolarHBondContact O-N 3.38Å; V417-S420 VanDerWaalsContact O-N 3.13Å; V417-S420 PolarHBondContact O-OG 2.83Å; V417-Y421 HydrophobicContact CG1-CD2 4.05Å; V417-Y421 HydrophobicContact CG1-CE2 3.57Å; V417-Y421 WeakPolarHBondContact O-CD2 3.37Å; V417-Y421 PolarHBondContact O-N 2.75Å; V417-Y421 VanDerWaalsContact O-N 3.09Å; V417-L428 HydrophobicContact CG2-CD2 4.35Å; V417-V441 HydrophobicContact CG2-CG1 3.85Å; V417-P446 HydrophobicContact CG1-CB 3.99Å; V417-P446 HydrophobicContact CG2-CB 4.09Å; V417-P446 HydrophobicContact CG2-CG 4.1Å
418	E	98.1	Very high	96	Very high	99 Å²	99	41.9 Å²	41.9	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-56.1	-49.5	171.7	179.2	61.1	-155.3	0	0	111.3	F395 M414 S420 Y421 K422	F395-E418 HydrophobicContact CE1-CB 4.46Å; F395-E418 WeakPolarHBondContact CE1-OE2 3.49Å; F395-E418 HydrophobicContact CZ-CB 4.12Å; M414-E418 PolarHBondContact O-N 3.35Å; E418-S420 VanDerWaalsContact C-N 3.28Å; E418-S420 PolarHBondContact O-N 3.02Å; E418-Y421 PolarHBondContact O-N 3.04Å; E418-K422 PolarHBondContact O-N 3.43Å
419	A	98.4	Very high	96.5	Very high	22 Å²	22	36.1 Å²	36.1	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-40.4	176.3	0	0	0	0	0	111.9	G415 V417 Y421 K422 C423 I510 M525	G415-A419 WeakPolarHBondContact O-CB 3.45Å; G415-A419 PolarHBondContact O-N 2.89Å; V417-A419 PolarHBondContact O-N 3.05Å; A419-Y421 VanDerWaalsContact C-N 3.34Å; A419-Y421 PolarHBondContact O-N 2.78Å; A419-K422 PolarHBondContact O-N 3.43Å; A419-C423 PolarHBondContact O-N 2.92Å; A419-C423 VanDerWaalsContact O-N 3.09Å; A419-C423 PolarHBondContact O-SG 2.82Å; A419-I510 HydrophobicContact CB-CD1 4.07Å; A419-M525 HydrophobicContact CB-CE 4.44Å; A419-M525 HydrophobicContact CB-SD 4.23Å
420	S	98.3	Very high	96.9	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-39.1	178.6	82.9	0	0	0	0	112.9	S416 V417 E418 L424 A425	S416-S420 WeakPolarHBondContact O-CB 3.42Å; S416-S420 PolarHBondContact O-N 3.18Å; V417-S420 WeakPolarHBondContact O-CB 3.32Å; V417-S420 PolarHBondContact O-N 3.38Å; V417-S420 VanDerWaalsContact O-N 3.13Å; V417-S420 PolarHBondContact O-OG 2.83Å; E418-S420 VanDerWaalsContact C-N 3.28Å; E418-S420 PolarHBondContact O-N 3.02Å; S420-L424 CarbonylContact O-C 3.58Å; S420-L424 WeakPolarHBondContact O-CA 3.43Å; S420-L424 PolarHBondContact O-N 3.49Å; S420-L424 VanDerWaalsContact O-N 3.12Å; S420-A425 PolarHBondContact O-N 3.27Å
421	Y	96	Very high	97.2	Very high	44 Å²	44	35.3 Å²	35.3	17%	0.173	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-42.3	173.9	-72.8	-57	0	0	0	111.4	H391 F395 V417 E418 A419 C423 L424 R445 R447	H391-Y421 HydrophobicContact CB-CE1 3.82Å; H391-Y421 PolarHBondContact CD2-OH 3.23Å; F395-Y421 HydrophobicContact CB-CE2 3.87Å; F395-Y421 HydrophobicContact CD1-CD2 4.43Å; F395-Y421 HydrophobicContact CD1-CE2 4.32Å; F395-Y421 AromaticContact CD2-CE2 3.89Å; F395-Y421 HydrophobicContact CD2-CE2 3.89Å; F395-Y421 HydrophobicContact CG-CD2 4.3Å; F395-Y421 AromaticContact CG-CE2 3.75Å; F395-Y421 HydrophobicContact CG-CE2 3.75Å; V417-Y421 HydrophobicContact CG1-CD2 4.05Å; V417-Y421 HydrophobicContact CG1-CE2 3.57Å; V417-Y421 WeakPolarHBondContact O-CD2 3.37Å; V417-Y421 PolarHBondContact O-N 2.75Å; V417-Y421 VanDerWaalsContact O-N 3.09Å; E418-Y421 PolarHBondContact O-N 3.04Å; A419-Y421 VanDerWaalsContact C-N 3.34Å; A419-Y421 PolarHBondContact O-N 2.78Å; Y421-C423 VanDerWaalsContact C-N 3.34Å; Y421-C423 PolarHBondContact O-N 3.31Å; Y421-L424 PolarHBondContact O-N 3.31Å; Y421-R445 PolarHBondContact OH-O 3.4Å; Y421-R447 HydrophobicContact CE1-CB 4.12Å
422	K	96.6	Very high	97.5	Very high	180 Å²	180	32.9 Å²	32.9	78%	0.783	18%	0.178	S	C	*	.	H	α-helix	trans	-62.3	-39.5	-175.4	-175.5	58.6	178.6	-177.8	0	113	E418 A419	E418-K422 PolarHBondContact O-N 3.43Å; A419-K422 PolarHBondContact O-N 3.43Å
423	C	95.8	Very high	97.5	Very high	52 Å²	52	36.1 Å²	36.1	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	6.1	179.7	71.6	0	0	0	0	114.1	A419 Y421 A425	A419-C423 PolarHBondContact O-N 2.92Å; A419-C423 VanDerWaalsContact O-N 3.09Å; A419-C423 PolarHBondContact O-SG 2.82Å; Y421-C423 VanDerWaalsContact C-N 3.34Å; Y421-C423 PolarHBondContact O-N 3.31Å; C423-A425 PolarHBondContact O-N 2.75Å
424	L	95.8	Very high	97.5	Very high	106 Å²	106	38.7 Å²	38.7	56%	0.555	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	49.5	-172.1	-60.7	174.7	0	0	0	111.5	S420 Y421	S420-L424 CarbonylContact O-C 3.58Å; S420-L424 WeakPolarHBondContact O-CA 3.43Å; S420-L424 PolarHBondContact O-N 3.49Å; S420-L424 VanDerWaalsContact O-N 3.12Å; Y421-L424 PolarHBondContact O-N 3.31Å
425	A	97.7	Very high	97.6	Very high	9 Å²	9	36.2 Å²	36.2	7%	0.074	20%	0.199	C	C	.	.			trans	-55.6	141.9	-177.2	0	0	0	0	0	110.9	S420 C423 A448 V508 I510	S420-A425 PolarHBondContact O-N 3.27Å; C423-A425 PolarHBondContact O-N 2.75Å; A425-A448 VanDerWaalsContact O-CB 3.24Å; A425-A448 WeakPolarHBondContact O-CB 3.48Å; A425-V508 CarbonylContact C-O 3.57Å; A425-V508 WeakPolarHBondContact CA-O 3.43Å; A425-I510 HydrophobicContact CB-CD1 4.24Å; A425-I510 HydrophobicContact CB-CG1 3.88Å
426	A	98.3	Very high	97.6	Very high	23 Å²	23	40.7 Å²	40.7	19%	0.19	21%	0.205	C	C	.	.	S	Bend	trans	-81.9	-19	-178.7	0	0	0	0	0	112.9	P449 F503 D507 V508	A426-P449 WeakPolarHBondContact O-CD 3.17Å; A426-F503 HydrophobicContact CB-CB 3.53Å; A426-F503 HydrophobicContact CB-CD1 4.38Å; A426-F503 HydrophobicContact CB-CG 4.4Å; A426-D507 HydrophobicContact CB-CB 4.1Å; A426-V508 PolarHBondContact N-O 3.11Å
427	A	98.8	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.			trans	-162.3	161.3	171.9	0	0	0	0	0	111.9	P449 I451 F503 V509 I510	A427-P449 WeakPolarHBondContact CA-O 3.39Å; A427-P449 HydrophobicContact CB-CG 4.26Å; A427-I451 HydrophobicContact CB-CD1 4.23Å; A427-I451 HydrophobicContact CB-CG1 4.47Å; A427-F503 HydrophobicContact CB-CD1 3.71Å; A427-F503 HydrophobicContact CB-CE1 3.54Å; A427-V509 HydrophobicContact CB-CG1 4.09Å; A427-V509 WeakPolarHBondContact O-CA 3.34Å; A427-I510 PolarHBondContact O-N 3.46Å
428	L	98.9	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.4	160.8	-59.8	96.3	0	0	0	108.8	V417 V441 P446 A448 P449 I450 I451 I510	V417-L428 HydrophobicContact CG2-CD2 4.35Å; L428-V441 HydrophobicContact CD2-CG1 3.85Å; L428-P446 HydrophobicContact CD1-CB 3.73Å; L428-P446 HydrophobicContact CD1-CG 4.01Å; L428-A448 HydrophobicContact CD1-CB 3.9Å; L428-P449 PolarHBondContact N-O 3.4Å; L428-I450 HydrophobicContact CD1-CG1 4.45Å; L428-I450 CarbonylContact O-C 3.58Å; L428-I450 VanDerWaalsContact O-CA 3.24Å; L428-I450 WeakPolarHBondContact O-CA 3.33Å; L428-I451 PolarHBondContact O-N 3.14Å; L428-I510 CarbonylContact C-O 3.54Å; L428-I510 WeakPolarHBondContact CA-O 3.28Å; L428-I510 HydrophobicContact CD2-CB 4.24Å; L428-I510 HydrophobicContact CD2-CG1 4.45Å; L428-I510 HydrophobicContact CD2-CG2 4.47Å; L428-I510 HydrophobicContact CG-CB 4.12Å; L428-I510 HydrophobicContact CG-CG1 4.32Å
429	I	98.9	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.6	177	-62.4	172	0	0	0	108.1	L431 I451 V453 A493 M494 V509 I510 V511 L512	I429-L431 HydrophobicContact CG2-CD1 4.18Å; I429-I451 WeakPolarHBondContact CA-O 3.36Å; I429-I451 HydrophobicContact CG1-CB 4.38Å; I429-V453 HydrophobicContact CG2-CG2 4.36Å; I429-A493 HydrophobicContact CB-CB 4.38Å; I429-A493 HydrophobicContact CD1-CB 3.88Å; I429-A493 HydrophobicContact CG1-CB 4Å; I429-A493 HydrophobicContact CG2-CB 3.5Å; I429-M494 HydrophobicContact CD1-CE 3.75Å; I429-M494 HydrophobicContact CD1-CG 4.3Å; I429-M494 HydrophobicContact CD1-SD 3.58Å; I429-M494 VanDerWaalsContact CD1-SD 3.58Å; I429-V509 HydrophobicContact CD1-CG2 4.23Å; I429-I510 PolarHBondContact N-O 3.12Å; I429-V511 HydrophobicContact CB-CG2 4.32Å; I429-V511 HydrophobicContact CD1-CG2 4.38Å; I429-V511 WeakPolarHBondContact O-CA 3.49Å; I429-L512 PolarHBondContact O-N 3.36Å
430	V	98.8	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119.1	-176	-171.6	0	0	0	0	110	A438 V441 I450 I451 A452 V453 L512	V430-A438 HydrophobicContact CB-CB 4.32Å; V430-A438 HydrophobicContact CG1-CB 4.16Å; V430-V441 HydrophobicContact CG2-CG2 4.28Å; V430-I450 HydrophobicContact CB-CG2 4.46Å; V430-I450 HydrophobicContact CG2-CG2 3.69Å; V430-I451 PolarHBondContact N-O 2.96Å; V430-A452 CarbonylContact O-C 3.5Å; V430-A452 WeakPolarHBondContact O-CA 3.35Å; V430-V453 PolarHBondContact O-N 2.98Å; V430-L512 HydrophobicContact CG1-CB 4.34Å; V430-L512 HydrophobicContact CG2-CB 4.29Å; V430-L512 HydrophobicContact CG2-CD1 3.94Å
431	L	98.4	Very high	97.6	Very high	13 Å²	13	38 Å²	38	7%	0.068	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.7	171.3	-79.7	62	0	0	0	108.5	I429 V486 R489 V490 L512 T513	I429-L431 HydrophobicContact CG2-CD1 4.18Å; L431-V486 HydrophobicContact CD2-CB 4.31Å; L431-V486 HydrophobicContact CD2-CG1 3.98Å; L431-V486 HydrophobicContact CD2-CG2 4.24Å; L431-R489 HydrophobicContact CD2-CB 3.95Å; L431-R489 HydrophobicContact CG-CB 4.14Å; L431-V490 HydrophobicContact CD1-CG2 3.81Å; L431-V490 HydrophobicContact CD2-CG2 4.43Å; L431-L512 PolarHBondContact N-O 3.19Å; L431-T513 HydrophobicContact CD1-CG2 4.28Å; L431-T513 HydrophobicContact CD2-CG2 4.13Å
432	T	97.8	Very high	97.7	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.074	18%	0.181	C	C	.	.			trans	-145.3	138.3	-172.6	-171.3	0	0	0	0	112.7	G435 A438 A452 V453 T454	T432-G435 WeakPolarHBondContact OG1-CA 3.38Å; T432-G435 PolarHBondContact OG1-N 3.32Å; T432-A438 HydrophobicContact CG2-CB 4.31Å; T432-A452 HydrophobicContact CG2-CB 4.11Å; T432-V453 PolarHBondContact N-O 3.48Å; T432-T454 WeakPolarHBondContact O-CA 3.45Å; T432-T454 WeakPolarHBondContact O-CB 3.48Å; T432-T454 PolarHBondContact O-OG1 2.79Å
433	E	95.9	Very high	97.8	Very high	109 Å²	109	29.3 Å²	29.3	51%	0.509	15%	0.152	S	C	.	.	S	Bend	trans	-95.9	-46.5	177.4	-173	174.7	-177.5	0	0	111.9	T459 S519	E433-T459 PolarHBondContact O-OG1 2.94Å; E433-T459 VanDerWaalsContact O-OG1 3.05Å; E433-S519 PolarHBondContact OE2-N 3.4Å
434	S	96.4	Very high	97.9	Very high	53 Å²	53	26.9 Å²	26.9	37%	0.371	14%	0.135	S	C	.	.	S	Bend	trans	-104.7	-0.5	-177	61.2	0	0	0	0	114.1	R436 S519	S434-R436 VanDerWaalsContact C-N 3.26Å; S434-R436 PolarHBondContact O-N 3.29Å; S434-S519 PolarHBondContact OG-OG 2.72Å
435	G	97.7	Very high	98	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	11%	0.111	C	C	.	.	S	Bend	trans	87.7	-27.1	-175.7	0	0	0	0	0	114.1	T432 S437 A438 H439 T459	T432-G435 WeakPolarHBondContact OG1-CA 3.38Å; T432-G435 PolarHBondContact OG1-N 3.32Å; G435-S437 VanDerWaalsContact C-N 3.31Å; G435-S437 PolarHBondContact O-N 3.11Å; G435-A438 WeakPolarHBondContact O-CA 3.45Å; G435-A438 PolarHBondContact O-N 3.44Å; G435-H439 PolarHBondContact O-CD2 3.32Å; G435-H439 PolarHBondContact O-N 2.95Å; G435-T459 VanDerWaalsContact N-CG2 3.33Å
436	R	96.7	Very high	98.1	Very high	127 Å²	127	22.2 Å²	22.2	48%	0.479	11%	0.109	S	C	.	.	H	α-helix	trans	-47.3	-46.1	-172.3	-177.6	177.1	171.8	176.1	-2.6	114.1	D407 S434 A438 H439 Q440	D407-R436 IonicContact OD2-CZ 2.81Å; D407-R436 IonicContact OD2-NH2 3.87Å; D407-R436 PolarHBondContact OD2-NH2 3.46Å; S434-R436 VanDerWaalsContact C-N 3.26Å; S434-R436 PolarHBondContact O-N 3.29Å; R436-A438 VanDerWaalsContact C-N 3.33Å; R436-A438 PolarHBondContact O-N 3.35Å; R436-H439 WeakPolarHBondContact O-CB 3.36Å; R436-H439 PolarHBondContact O-N 2.93Å; R436-Q440 HydrophobicContact CG-CG 4.5Å; R436-Q440 WeakPolarHBondContact O-CG 3.39Å; R436-Q440 PolarHBondContact O-N 3.13Å
437	S	97.4	Very high	98.1	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.049	11%	0.105	C	C	.	.	H	α-helix	trans	-62.3	-40.5	-179.3	-51.5	0	0	0	0	112.4	M409 G435 V441 T522	M409-S437 WeakPolarHBondContact CE-O 3.34Å; M409-S437 VanDerWaalsContact SD-CB 3.6Å; G435-S437 VanDerWaalsContact C-N 3.31Å; G435-S437 PolarHBondContact O-N 3.11Å; S437-V441 WeakPolarHBondContact O-CG2 3.37Å; S437-V441 PolarHBondContact O-N 3.5Å; S437-T522 PolarHBondContact OG-OG1 2.84Å
438	A	98.6	Very high	98	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-72.1	-35.4	176.7	0	0	0	0	0	111.6	V430 T432 G435 R436 Q440 V441 A442 I450 A452 I469	V430-A438 HydrophobicContact CB-CB 4.32Å; V430-A438 HydrophobicContact CG1-CB 4.16Å; T432-A438 HydrophobicContact CG2-CB 4.31Å; G435-A438 WeakPolarHBondContact O-CA 3.45Å; G435-A438 PolarHBondContact O-N 3.44Å; R436-A438 VanDerWaalsContact C-N 3.33Å; R436-A438 PolarHBondContact O-N 3.35Å; A438-Q440 VanDerWaalsContact C-N 3.33Å; A438-Q440 PolarHBondContact O-N 3.14Å; A438-V441 PolarHBondContact O-N 2.94Å; A438-A442 WeakPolarHBondContact O-CB 3.09Å; A438-A442 PolarHBondContact O-N 3.49Å; A438-I450 HydrophobicContact CB-CG2 4.39Å; A438-A452 HydrophobicContact CB-CB 3.86Å; A438-I469 HydrophobicContact CB-CD1 3.77Å; A438-I469 HydrophobicContact CB-CG1 4.48Å
439	H	98.5	Very high	98	Very high	23 Å²	23	22.9 Å²	22.9	11%	0.106	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-41.2	174.7	-54	166.9	0	0	0	111.8	G435 R436 V441 A442 R443 Y466	G435-H439 PolarHBondContact O-CD2 3.32Å; G435-H439 PolarHBondContact O-N 2.95Å; R436-H439 WeakPolarHBondContact O-CB 3.36Å; R436-H439 PolarHBondContact O-N 2.93Å; H439-V441 VanDerWaalsContact C-N 3.34Å; H439-V441 PolarHBondContact O-N 3.44Å; H439-A442 PolarHBondContact O-N 3.16Å; H439-R443 PolarHBondContact O-N 3.41Å; H439-Y466 HydrophobicContact CB-CD1 3.94Å; H439-Y466 HydrophobicContact CB-CE1 3.62Å; H439-Y466 HydrophobicContact CB-CE2 4.45Å; H439-Y466 HydrophobicContact CB-CG 4.46Å; H439-Y466 AromaticContact CD2-CD2 3.5Å; H439-Y466 VanDerWaalsContact CD2-CD2 3.5Å; H439-Y466 WeakPolarHBondContact CD2-CD2 3.22Å; H439-Y466 AromaticContact CD2-CE2 3.54Å; H439-Y466 AromaticContact CD2-CG 3.85Å; H439-Y466 AromaticContact CD2-CZ 3.9Å; H439-Y466 AromaticContact CE1-CE2 3.63Å; H439-Y466 AromaticContact CE1-CZ 3.97Å; H439-Y466 AromaticContact CG-CD2 3.99Å; H439-Y466 AromaticContact CG-CE1 3.75Å; H439-Y466 AromaticContact CG-CE2 3.67Å; H439-Y466 AromaticContact CG-CZ 3.52Å; H439-Y466 AromaticContact ND1-CE2 3.69Å; H439-Y466 AromaticContact ND1-CZ 3.56Å; H439-Y466 AromaticContact NE2-CD2 3.74Å; H439-Y466 AromaticContact NE2-CE2 3.56Å
440	Q	97.4	Very high	98	Very high	37 Å²	37	22.9 Å²	22.9	17%	0.173	11%	0.109	C	C	.	.	H	α-helix	trans	-64.3	-37.7	177	-70.5	-65.6	-24.3	0	0	112	M409 A413 R436 A438 R443 Y444	M409-Q440 HydrophobicContact CE-CB 4.04Å; M409-Q440 HydrophobicContact CG-CB 4.22Å; M409-Q440 HydrophobicContact CG-CG 3.99Å; A413-Q440 HydrophobicContact CB-CB 3.78Å; R436-Q440 HydrophobicContact CG-CG 4.5Å; R436-Q440 WeakPolarHBondContact O-CG 3.39Å; R436-Q440 PolarHBondContact O-N 3.13Å; A438-Q440 VanDerWaalsContact C-N 3.33Å; A438-Q440 PolarHBondContact O-N 3.14Å; Q440-R443 WeakPolarHBondContact O-CB 3.35Å; Q440-Y444 WeakPolarHBondContact O-CD2 3.49Å
441	V	98.6	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.3	-44.5	172.8	178	0	0	0	0	110.6	M409 A413 V417 L428 V430 S437 A438 H439 R443 Y444 P446 I450 L512	M409-V441 HydrophobicContact CE-CG2 4.39Å; A413-V441 HydrophobicContact CB-CG2 4.05Å; V417-V441 HydrophobicContact CG2-CG1 3.85Å; L428-V441 HydrophobicContact CD2-CG1 3.85Å; V430-V441 HydrophobicContact CG2-CG2 4.28Å; S437-V441 WeakPolarHBondContact O-CG2 3.37Å; S437-V441 PolarHBondContact O-N 3.5Å; A438-V441 PolarHBondContact O-N 2.94Å; H439-V441 VanDerWaalsContact C-N 3.34Å; H439-V441 PolarHBondContact O-N 3.44Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 3.4Å; V441-Y444 PolarHBondContact O-N 3.36Å; V441-P446 HydrophobicContact CG1-CG 4.28Å; V441-P446 WeakPolarHBondContact O-CD 3.24Å; V441-I450 HydrophobicContact CB-CD1 4.17Å; V441-I450 HydrophobicContact CG1-CD1 3.67Å; V441-I450 HydrophobicContact CG1-CG1 3.9Å; V441-I450 HydrophobicContact CG1-CG2 4.37Å; V441-L512 HydrophobicContact CG2-CD1 3.49Å; V441-L512 VanDerWaalsContact CG2-CD1 3.49Å
442	A	98.8	Very high	98.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-60.9	-34	179.4	0	0	0	0	0	113.3	A438 H439 Y444 R445 I450 Y466 R467 I469	A438-A442 WeakPolarHBondContact O-CB 3.09Å; A438-A442 PolarHBondContact O-N 3.49Å; H439-A442 PolarHBondContact O-N 3.16Å; A442-Y444 PolarHBondContact O-N 3.04Å; A442-R445 PolarHBondContact O-N 2.98Å; A442-I450 HydrophobicContact CB-CD1 3.84Å; A442-Y466 HydrophobicContact CB-CD1 4.47Å; A442-R467 WeakPolarHBondContact CB-O 3.24Å; A442-I469 HydrophobicContact CB-CD1 4.05Å; A442-I469 HydrophobicContact CB-CG1 3.95Å
443	R	97.9	Very high	98.1	Very high	41 Å²	41	21.8 Å²	21.8	16%	0.155	10%	0.103	C	C	.	.	H	α-helix	trans	-53.8	-36.2	175.6	177.7	179.9	-175.4	-161.2	-2.6	112.8	R319 E410 H439 Q440 V441 R445	R319-R443 PolarHBondContact O-NE 3.4Å; R319-R443 PolarHBondContact O-NH2 2.99Å; E410-R443 IonicContact OE1-CZ 2.61Å; E410-R443 IonicContact OE1-NH1 2.73Å; E410-R443 PolarHBondContact OE1-NH1 3.31Å; H439-R443 PolarHBondContact O-N 3.41Å; Q440-R443 WeakPolarHBondContact O-CB 3.35Å; V441-R443 VanDerWaalsContact C-N 3.28Å; V441-R443 PolarHBondContact O-N 3.4Å; R443-R445 VanDerWaalsContact C-N 3.27Å; R443-R445 PolarHBondContact O-N 3.37Å
444	Y	98.5	Very high	98.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.008	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.7	179.9	-68.8	-72.7	0	0	0	113.6	F395 L398 V399 A413 M414 Q440 V441 A442	F395-Y444 HydrophobicContact CE2-CD1 4.12Å; F395-Y444 HydrophobicContact CE2-CG 4.34Å; L398-Y444 HydrophobicContact CB-CD1 4.48Å; V399-Y444 HydrophobicContact CG2-CD1 4.18Å; V399-Y444 HydrophobicContact CG2-CE1 4.14Å; A413-Y444 HydrophobicContact CB-CD2 4.19Å; A413-Y444 HydrophobicContact CB-CE2 4.23Å; M414-Y444 HydrophobicContact CB-CD2 4.3Å; M414-Y444 HydrophobicContact CB-CE1 4.26Å; M414-Y444 HydrophobicContact CB-CE2 3.89Å; M414-Y444 HydrophobicContact CE-CE1 3.81Å; M414-Y444 WeakPolarHBondContact CE-OH 3.45Å; M414-Y444 HydrophobicContact CG-CD1 4.45Å; M414-Y444 HydrophobicContact CG-CE1 4.12Å; Q440-Y444 WeakPolarHBondContact O-CD2 3.49Å; V441-Y444 PolarHBondContact O-N 3.36Å; A442-Y444 PolarHBondContact O-N 3.04Å
445	R	98.6	Very high	98.4	Very high	10 Å²	10	17.6 Å²	17.6	4%	0.038	8%	0.075	C	C	.	.			trans	52.5	50.1	168.3	-57.9	-70.2	-170	-163.4	-2.2	114.6	N318 G355 D357 L394 L398 Y421 A442 R443	N318-R445 PolarHBondContact OD1-NH2 3.09Å; G355-R445 PolarHBondContact O-NH2 2.83Å; D357-R445 VanDerWaalsContact CG-NH2 3.34Å; D357-R445 IonicContact OD1-CZ 3.72Å; D357-R445 IonicContact OD1-NH1 3.26Å; D357-R445 PolarHBondContact OD1-NH1 3.31Å; D357-R445 IonicContact OD1-NH2 3.65Å; D357-R445 PolarHBondContact OD1-NH2 3.31Å; D357-R445 IonicContact OD2-CZ 2.69Å; D357-R445 IonicContact OD2-NH1 2.74Å; D357-R445 IonicContact OD2-NH2 3.03Å; D357-R445 PolarHBondContact OD2-NH2 3.41Å; L394-R445 HydrophobicContact CD2-CB 3.94Å; L394-R445 HydrophobicContact CD2-CG 4.06Å; L394-R445 HydrophobicContact CG-CB 4.49Å; L398-R445 HydrophobicContact CD1-CB 4.01Å; L398-R445 HydrophobicContact CD1-CG 3.58Å; Y421-R445 PolarHBondContact OH-O 3.4Å; A442-R445 PolarHBondContact O-N 2.98Å; R443-R445 VanDerWaalsContact C-N 3.27Å; R443-R445 PolarHBondContact O-N 3.37Å
446	P	98.6	Very high	98.4	Very high	7 Å²	7	20.4 Å²	20.4	5%	0.045	9%	0.09	C	C	.	.			trans	-57.5	147.9	175.5	26.6	-34.1	0	0	0	111.1	V417 L428 V441 I450	V417-P446 HydrophobicContact CG1-CB 3.99Å; V417-P446 HydrophobicContact CG2-CB 4.09Å; V417-P446 HydrophobicContact CG2-CG 4.1Å; L428-P446 HydrophobicContact CD1-CB 3.73Å; L428-P446 HydrophobicContact CD1-CG 4.01Å; V441-P446 HydrophobicContact CG1-CG 4.28Å; V441-P446 WeakPolarHBondContact O-CD 3.24Å; P446-I450 HydrophobicContact CG-CD1 3.76Å; P446-I450 HydrophobicContact CG-CG1 3.87Å
447	R	98.3	Very high	98.5	Very high	25 Å²	25	17.1 Å²	17.1	9%	0.094	9%	0.085	C	C	.	.	S	Bend	trans	-66.7	-43.4	171.6	-178	-177.6	-63.4	146.5	0.7	111	L18 N44 Y421	L18-R447 VanDerWaalsContact CD2-NH1 3.26Å; N44-R447 PolarHBondContact ND2-O 3.36Å; Y421-R447 HydrophobicContact CE1-CB 4.12Å
448	A	98.5	Very high	98.6	Very high	8 Å²	8	18.2 Å²	18.2	7%	0.066	9%	0.089	C	C	.	.	S	Bend	trans	-68.7	144.4	-177.9	0	0	0	0	0	111.4	A425 L428	A425-A448 VanDerWaalsContact O-CB 3.24Å; A425-A448 WeakPolarHBondContact O-CB 3.48Å; L428-A448 HydrophobicContact CD1-CB 3.9Å
449	P	98.8	Very high	98.6	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.019	9%	0.091	C	C	.	.			trans	-64.1	146.7	176.6	28.3	-36.1	0	0	0	111.5	A42 A426 A427 L428 F502	A42-P449 HydrophobicContact CB-CB 3.91Å; A42-P449 HydrophobicContact CB-CG 3.87Å; A426-P449 WeakPolarHBondContact O-CD 3.17Å; A427-P449 WeakPolarHBondContact CA-O 3.39Å; A427-P449 HydrophobicContact CB-CG 4.26Å; L428-P449 PolarHBondContact N-O 3.4Å; P449-F502 HydrophobicContact CG-CD2 4.4Å; P449-F502 HydrophobicContact CG-CG 4.47Å
450	I	98.9	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	99	177.7	-54	163.6	0	0	0	108	L428 V430 A438 V441 A442 P446 A452 G468 I469 F470	L428-I450 HydrophobicContact CD1-CG1 4.45Å; L428-I450 CarbonylContact O-C 3.58Å; L428-I450 VanDerWaalsContact O-CA 3.24Å; L428-I450 WeakPolarHBondContact O-CA 3.33Å; V430-I450 HydrophobicContact CB-CG2 4.46Å; V430-I450 HydrophobicContact CG2-CG2 3.69Å; A438-I450 HydrophobicContact CB-CG2 4.39Å; V441-I450 HydrophobicContact CB-CD1 4.17Å; V441-I450 HydrophobicContact CG1-CD1 3.67Å; V441-I450 HydrophobicContact CG1-CG1 3.9Å; V441-I450 HydrophobicContact CG1-CG2 4.37Å; A442-I450 HydrophobicContact CB-CD1 3.84Å; P446-I450 HydrophobicContact CG-CD1 3.76Å; P446-I450 HydrophobicContact CG-CG1 3.87Å; I450-A452 PolarHBondContact O-N 3.48Å; I450-A452 VanDerWaalsContact O-N 3.15Å; I450-G468 WeakPolarHBondContact CA-O 3.37Å; I450-G468 WeakPolarHBondContact CB-O 3.31Å; I450-G468 PolarHBondContact N-O 2.97Å; I450-I469 HydrophobicContact CB-CG1 4.41Å; I450-I469 HydrophobicContact CD1-CG1 4.25Å; I450-I469 HydrophobicContact CG2-CG1 4.49Å; I450-I469 CarbonylContact O-C 3.49Å; I450-I469 WeakPolarHBondContact O-CA 3.35Å; I450-F470 PolarHBondContact O-N 3.1Å
451	I	98.9	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	101.2	175.9	-55	178	0	0	0	108.5	A427 L428 I429 V430 F470 V472 A493 F502 F503	A427-I451 HydrophobicContact CB-CD1 4.23Å; A427-I451 HydrophobicContact CB-CG1 4.47Å; L428-I451 PolarHBondContact O-N 3.14Å; I429-I451 WeakPolarHBondContact CA-O 3.36Å; I429-I451 HydrophobicContact CG1-CB 4.38Å; V430-I451 PolarHBondContact N-O 2.96Å; I451-F470 WeakPolarHBondContact CA-O 3.36Å; I451-V472 HydrophobicContact CG2-CG1 3.98Å; I451-V472 HydrophobicContact CG2-CG2 3.85Å; I451-A493 HydrophobicContact CG2-CB 3.8Å; I451-F502 HydrophobicContact CD1-CD2 4.14Å; I451-F502 HydrophobicContact CG1-CD2 4.48Å; I451-F503 HydrophobicContact CD1-CE1 3.68Å; I451-F503 HydrophobicContact CD1-CZ 4.12Å
452	A	98.9	Very high	98.7	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.8	-179.4	0	0	0	0	0	110.6	V430 T432 A438 I450 I469 F470 V472	V430-A452 CarbonylContact O-C 3.5Å; V430-A452 WeakPolarHBondContact O-CA 3.35Å; T432-A452 HydrophobicContact CG2-CB 4.11Å; A438-A452 HydrophobicContact CB-CB 3.86Å; I450-A452 PolarHBondContact O-N 3.48Å; I450-A452 VanDerWaalsContact O-N 3.15Å; A452-I469 HydrophobicContact CB-CG2 3.48Å; A452-I469 VanDerWaalsContact CB-CG2 3.48Å; A452-F470 PolarHBondContact N-O 2.86Å; A452-F470 VanDerWaalsContact N-O 3.08Å; A452-V472 PolarHBondContact O-N 2.91Å
453	V	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123	179.2	-169.3	0	0	0	0	109.9	I429 V430 T432 V472 C474 R489 F492 A493	I429-V453 HydrophobicContact CG2-CG2 4.36Å; V430-V453 PolarHBondContact O-N 2.98Å; T432-V453 PolarHBondContact N-O 3.48Å; V453-V472 HydrophobicContact CB-CG2 4.08Å; V453-V472 HydrophobicContact CG1-CG2 4.24Å; V453-V472 HydrophobicContact CG2-CG2 3.69Å; V453-C474 HydrophobicContact CG1-CB 4.02Å; V453-R489 HydrophobicContact CG1-CB 3.94Å; V453-R489 HydrophobicContact CG1-CG 4.11Å; V453-F492 HydrophobicContact CG1-CD1 4.04Å; V453-A493 HydrophobicContact CG2-CB 3.62Å
454	T	98.7	Very high	98.7	Very high	6 Å²	6	16.9 Å²	16.9	4%	0.037	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.6	175.5	-169.4	0	0	0	0	111.3	T432 N456 T459 A460 V472 L473 C474	T432-T454 WeakPolarHBondContact O-CA 3.45Å; T432-T454 WeakPolarHBondContact O-CB 3.48Å; T432-T454 PolarHBondContact O-OG1 2.79Å; T454-N456 WeakPolarHBondContact CG2-O 3.26Å; T454-N456 PolarHBondContact OG1-N 3.19Å; T454-N456 VanDerWaalsContact OG1-N 3.09Å; T454-T459 HydrophobicContact CG2-CG2 4.29Å; T454-A460 HydrophobicContact CG2-CB 3.65Å; T454-V472 PolarHBondContact N-O 3.31Å; T454-V472 VanDerWaalsContact N-O 3.09Å; T454-L473 CarbonylContact O-C 3.58Å; T454-L473 WeakPolarHBondContact O-CA 3.35Å; T454-C474 PolarHBondContact O-N 3.31Å
455	R	98.4	Very high	98.8	Very high	68 Å²	68	16.9 Å²	16.9	26%	0.257	8%	0.084	S	C	.	.	S	Bend	trans	-98.6	-8.1	165.8	-68.6	-173.2	171.8	110.2	-5.9	112	P457 C474 D476 P477 D485	R455-P457 VanDerWaalsContact O-CD 3.32Å; R455-P457 WeakPolarHBondContact O-CD 3.49Å; R455-C474 HydrophobicContact CG-CB 4.11Å; R455-D476 PolarHBondContact NE-O 3.43Å; R455-D476 PolarHBondContact NH2-O 3.39Å; R455-D476 VanDerWaalsContact NH2-O 3.12Å; R455-P477 PolarHBondContact NH2-O 3Å; R455-D485 IonicContact CZ-OD1 2.97Å; R455-D485 VanDerWaalsContact CZ-OD1 3.25Å; R455-D485 IonicContact CZ-OD2 2.7Å; R455-D485 VanDerWaalsContact NH1-CG 3.3Å; R455-D485 IonicContact NH1-OD1 2.86Å; R455-D485 PolarHBondContact NH1-OD1 2.86Å; R455-D485 IonicContact NH1-OD2 2.82Å; R455-D485 PolarHBondContact NH1-OD2 3.21Å; R455-D485 IonicContact NH2-OD1 3.18Å; R455-D485 PolarHBondContact NH2-OD1 3.25Å; R455-D485 IonicContact NH2-OD2 3Å
456	N	98.5	Very high	98.8	Very high	61 Å²	61	17.7 Å²	17.7	33%	0.326	9%	0.087	S	C	.	.			trans	-86.3	113.3	178.7	-178.4	-35.4	0	0	0	110	T454 Q458 T459 A460	T454-N456 WeakPolarHBondContact CG2-O 3.26Å; T454-N456 PolarHBondContact OG1-N 3.19Å; T454-N456 VanDerWaalsContact OG1-N 3.09Å; N456-Q458 PolarHBondContact O-N 3.01Å; N456-Q458 WeakPolarHBondContact OD1-CB 3.35Å; N456-Q458 PolarHBondContact OD1-N 3.44Å; N456-T459 PolarHBondContact O-N 3.44Å; N456-T459 PolarHBondContact OD1-N 3.43Å; N456-A460 PolarHBondContact O-N 3.34Å
457	P	98.8	Very high	98.8	Very high	57 Å²	57	17.8 Å²	17.8	37%	0.37	9%	0.087	S	C	.	.	H	α-helix	trans	-63.5	-37.8	-177.1	-22.5	34.8	0	0	0	113.6	R455 A460 R461 L473	R455-P457 VanDerWaalsContact O-CD 3.32Å; R455-P457 WeakPolarHBondContact O-CD 3.49Å; P457-A460 PolarHBondContact O-N 2.78Å; P457-R461 WeakPolarHBondContact O-CG 3.28Å; P457-R461 PolarHBondContact O-N 2.99Å; P457-L473 HydrophobicContact CB-CD2 4.19Å; P457-L473 HydrophobicContact CG-CD1 4.27Å; P457-L473 HydrophobicContact CG-CD2 4.28Å
458	Q	98.8	Very high	98.8	Very high	30 Å²	30	16.7 Å²	16.7	14%	0.14	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-40.4	178.9	-176.7	176.2	60.4	0	0	111	N456 A460 R461 Q462	N456-Q458 PolarHBondContact O-N 3.01Å; N456-Q458 WeakPolarHBondContact OD1-CB 3.35Å; N456-Q458 PolarHBondContact OD1-N 3.44Å; Q458-A460 VanDerWaalsContact C-N 3.34Å; Q458-A460 PolarHBondContact O-N 3.36Å; Q458-R461 PolarHBondContact O-N 3.18Å; Q458-Q462 HydrophobicContact CG-CG 4.2Å; Q458-Q462 WeakPolarHBondContact O-CB 3.4Å; Q458-Q462 VanDerWaalsContact O-CG 3.31Å; Q458-Q462 WeakPolarHBondContact O-CG 3.35Å; Q458-Q462 PolarHBondContact O-N 2.84Å
459	T	98.8	Very high	98.8	Very high	9 Å²	9	16.7 Å²	16.7	6%	0.055	8%	0.083	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.9	-66.2	0	0	0	0	111.3	E433 G435 T454 N456 R461 Q462 A463	E433-T459 PolarHBondContact O-OG1 2.94Å; E433-T459 VanDerWaalsContact O-OG1 3.05Å; G435-T459 VanDerWaalsContact N-CG2 3.33Å; T454-T459 HydrophobicContact CG2-CG2 4.29Å; N456-T459 PolarHBondContact O-N 3.44Å; N456-T459 PolarHBondContact OD1-N 3.43Å; T459-R461 VanDerWaalsContact C-N 3.27Å; T459-R461 PolarHBondContact O-N 3.43Å; T459-Q462 PolarHBondContact O-N 3.25Å; T459-A463 VanDerWaalsContact O-CB 3.23Å; T459-A463 WeakPolarHBondContact O-CB 3.35Å; T459-A463 PolarHBondContact O-N 3.11Å
460	A	98.9	Very high	98.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-60.4	-38.1	176.8	0	0	0	0	0	112	P107 T454 N456 P457 Q458 P471 L473	P107-A460 HydrophobicContact CB-CB 4.04Å; P107-A460 HydrophobicContact CG-CB 3.73Å; T454-A460 HydrophobicContact CG2-CB 3.65Å; N456-A460 PolarHBondContact O-N 3.34Å; P457-A460 PolarHBondContact O-N 2.78Å; Q458-A460 VanDerWaalsContact C-N 3.34Å; Q458-A460 PolarHBondContact O-N 3.36Å; A460-P471 HydrophobicContact CB-CB 4.34Å; A460-P471 WeakPolarHBondContact O-CB 3.3Å; A460-P471 WeakPolarHBondContact O-CG 3.49Å; A460-L473 HydrophobicContact CB-CB 4.4Å; A460-L473 HydrophobicContact CB-CD1 4.49Å
461	R	98.9	Very high	98.8	Very high	41 Å²	41	18.7 Å²	18.7	16%	0.155	9%	0.091	C	C	.	.	H	α-helix	trans	-71.3	-50.4	176.1	-69.2	-176	-52.2	-109.8	10	111.9	P107 V108 A109 D236 D238 P457 Q458 T459 A463 H464	P107-R461 HydrophobicContact CB-CG 4.07Å; V108-R461 WeakPolarHBondContact O-CD 3.45Å; V108-R461 WeakPolarHBondContact O-CG 3.27Å; A109-R461 HydrophobicContact CB-CB 3.8Å; A109-R461 WeakPolarHBondContact CB-O 3.5Å; D236-R461 IonicContact OD2-NH2 3.43Å; D236-R461 PolarHBondContact OD2-NH2 3.42Å; D238-R461 VanDerWaalsContact CG-NE 3.29Å; D238-R461 IonicContact OD1-CZ 3.33Å; D238-R461 VanDerWaalsContact OD1-CZ 3.28Å; D238-R461 IonicContact OD1-NE 2.76Å; D238-R461 PolarHBondContact OD1-NE 2.94Å; D238-R461 IonicContact OD1-NH2 3.92Å; D238-R461 PolarHBondContact OD1-NH2 2.91Å; D238-R461 WeakPolarHBondContact OD2-CD 3.44Å; D238-R461 IonicContact OD2-NE 3.93Å; D238-R461 PolarHBondContact OD2-NE 2.96Å; D238-R461 VanDerWaalsContact OD2-NE 3.15Å; P457-R461 WeakPolarHBondContact O-CG 3.28Å; P457-R461 PolarHBondContact O-N 2.99Å; Q458-R461 PolarHBondContact O-N 3.18Å; T459-R461 VanDerWaalsContact C-N 3.27Å; T459-R461 PolarHBondContact O-N 3.43Å; R461-A463 VanDerWaalsContact C-N 3.28Å; R461-A463 PolarHBondContact O-N 3.24Å; R461-H464 PolarHBondContact O-CD2 2.97Å; R461-H464 PolarHBondContact O-N 3.29Å
462	Q	98.9	Very high	98.8	Very high	11 Å²	11	18.9 Å²	18.9	5%	0.051	9%	0.093	C	C	.	.	H	α-helix	trans	-65.3	-28.7	-177.2	-71.3	176.8	-12.7	0	0	113.7	D238 N264 K266 Q458 T459 H464 L465	D238-Q462 HydrophobicContact CB-CG 3.99Å; D238-Q462 PolarHBondContact O-NE2 2.95Å; N264-Q462 PolarHBondContact O-NE2 2.85Å; K266-Q462 HydrophobicContact CG-CG 4.18Å; Q458-Q462 HydrophobicContact CG-CG 4.2Å; Q458-Q462 WeakPolarHBondContact O-CB 3.4Å; Q458-Q462 VanDerWaalsContact O-CG 3.31Å; Q458-Q462 WeakPolarHBondContact O-CG 3.35Å; Q458-Q462 PolarHBondContact O-N 2.84Å; T459-Q462 PolarHBondContact O-N 3.25Å; Q462-H464 PolarHBondContact O-N 3.43Å; Q462-H464 VanDerWaalsContact O-N 3.13Å; Q462-L465 WeakPolarHBondContact O-CB 3.33Å; Q462-L465 PolarHBondContact O-N 2.83Å; Q462-L465 VanDerWaalsContact O-N 3.12Å
463	A	98.9	Very high	98.8	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.033	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.1	179.9	0	0	0	0	0	113.9	T459 R461 L465 Y466 I469 P471	T459-A463 VanDerWaalsContact O-CB 3.23Å; T459-A463 WeakPolarHBondContact O-CB 3.35Å; T459-A463 PolarHBondContact O-N 3.11Å; R461-A463 VanDerWaalsContact C-N 3.28Å; R461-A463 PolarHBondContact O-N 3.24Å; A463-L465 PolarHBondContact O-N 3.39Å; A463-L465 VanDerWaalsContact O-N 3.12Å; A463-Y466 PolarHBondContact O-N 3.18Å; A463-Y466 VanDerWaalsContact O-N 3.14Å; A463-I469 HydrophobicContact CB-CG2 3.87Å; A463-P471 HydrophobicContact CB-CB 3.95Å; A463-P471 HydrophobicContact CB-CG 4.36Å
464	H	98.9	Very high	98.8	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.046	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-60.7	-17.5	175.1	-75	-56.6	0	0	0	114.5	N70 V71 P107 C358 R461 Q462 Y466 P471	N70-H464 HydrophobicContact CB-CB 3.97Å; V71-H464 HydrophobicContact CG2-CB 4.17Å; P107-H464 PolarHBondContact O-NE2 3.12Å; C358-H464 PolarHBondContact SG-O 3.36Å; C358-H464 VanDerWaalsContact SG-O 3.36Å; R461-H464 PolarHBondContact O-CD2 2.97Å; R461-H464 PolarHBondContact O-N 3.29Å; Q462-H464 PolarHBondContact O-N 3.43Å; Q462-H464 VanDerWaalsContact O-N 3.13Å; H464-Y466 PolarHBondContact O-N 2.67Å; H464-P471 VanDerWaalsContact CE1-CD 3.48Å; H464-P471 WeakPolarHBondContact CE1-CD 3.35Å; H464-P471 WeakPolarHBondContact CE1-CG 3.45Å
465	L	98.9	Very high	98.7	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-66.6	-19.1	175.5	-77.2	170.7	0	0	0	113.3	M239 K266 I268 P323 I325 D357 Q462 A463	M239-L465 HydrophobicContact CE-CD1 3.73Å; M239-L465 HydrophobicContact CE-CD2 4.25Å; M239-L465 HydrophobicContact CE-CG 3.79Å; M239-L465 HydrophobicContact SD-CD1 3.87Å; M239-L465 HydrophobicContact SD-CD2 3.69Å; M239-L465 HydrophobicContact SD-CG 3.89Å; K266-L465 HydrophobicContact CB-CD1 4.2Å; K266-L465 HydrophobicContact CG-CD1 4.24Å; I268-L465 HydrophobicContact CD1-CD1 4.03Å; I268-L465 HydrophobicContact CD1-CD2 4.43Å; P323-L465 HydrophobicContact CB-CB 3.99Å; P323-L465 WeakPolarHBondContact CB-O 3.34Å; P323-L465 HydrophobicContact CG-CB 4.11Å; I325-L465 HydrophobicContact CD1-CD2 4.19Å; D357-L465 WeakPolarHBondContact CB-O 3.23Å; Q462-L465 WeakPolarHBondContact O-CB 3.33Å; Q462-L465 PolarHBondContact O-N 2.83Å; Q462-L465 VanDerWaalsContact O-N 3.12Å; A463-L465 PolarHBondContact O-N 3.39Å; A463-L465 VanDerWaalsContact O-N 3.12Å
466	Y	98.9	Very high	98.7	Very high	26 Å²	26	24.7 Å²	24.7	10%	0.102	12%	0.122	C	C	.	.	S	Bend	trans	-108.4	131.7	-173.8	-67.9	-100.7	0	0	0	110.7	P323 H439 A442 A463 H464 G468 I469	P323-Y466 HydrophobicContact CG-CE1 4.33Å; P323-Y466 HydrophobicContact CG-CE2 4.09Å; H439-Y466 HydrophobicContact CB-CD1 3.94Å; H439-Y466 HydrophobicContact CB-CE1 3.62Å; H439-Y466 HydrophobicContact CB-CE2 4.45Å; H439-Y466 HydrophobicContact CB-CG 4.46Å; H439-Y466 AromaticContact CD2-CD2 3.5Å; H439-Y466 VanDerWaalsContact CD2-CD2 3.5Å; H439-Y466 WeakPolarHBondContact CD2-CD2 3.22Å; H439-Y466 AromaticContact CD2-CE2 3.54Å; H439-Y466 AromaticContact CD2-CG 3.85Å; H439-Y466 AromaticContact CD2-CZ 3.9Å; H439-Y466 AromaticContact CE1-CE2 3.63Å; H439-Y466 AromaticContact CE1-CZ 3.97Å; H439-Y466 AromaticContact CG-CD2 3.99Å; H439-Y466 AromaticContact CG-CE1 3.75Å; H439-Y466 AromaticContact CG-CE2 3.67Å; H439-Y466 AromaticContact CG-CZ 3.52Å; H439-Y466 AromaticContact ND1-CE2 3.69Å; H439-Y466 AromaticContact ND1-CZ 3.56Å; H439-Y466 AromaticContact NE2-CD2 3.74Å; H439-Y466 AromaticContact NE2-CE2 3.56Å; A442-Y466 HydrophobicContact CB-CD1 4.47Å; A463-Y466 PolarHBondContact O-N 3.18Å; A463-Y466 VanDerWaalsContact O-N 3.14Å; H464-Y466 PolarHBondContact O-N 2.67Å; Y466-G468 PolarHBondContact O-N 3.23Å; Y466-I469 HydrophobicContact CG-CD1 4.15Å; Y466-I469 PolarHBondContact O-N 3.42Å
467	R	98.8	Very high	98.6	Very high	9 Å²	9	26.5 Å²	26.5	3%	0.034	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138.9	178.9	-171	176.8	-179.9	134.2	-2.4	112	N44 V352 A356 D357 E386 M389 A442 I469	N44-R467 HydrophobicContact CB-CG 3.93Å; N44-R467 WeakPolarHBondContact O-CA 3.48Å; V352-R467 PolarHBondContact O-NH1 2.84Å; A356-R467 PolarHBondContact O-NH1 3.3Å; D357-R467 HydrophobicContact CB-CB 4.44Å; D357-R467 WeakPolarHBondContact OD1-CB 3.34Å; D357-R467 PolarHBondContact OD1-N 3.23Å; E386-R467 VanDerWaalsContact CG-NH2 3.29Å; M389-R467 VanDerWaalsContact CE-CZ 3.49Å; M389-R467 VanDerWaalsContact SD-CZ 3.59Å; M389-R467 PolarHBondContact SD-NH2 2.7Å; A442-R467 WeakPolarHBondContact CB-O 3.24Å; R467-I469 PolarHBondContact O-N 3.21Å
468	G	98.7	Very high	98.5	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-18	174.3	0	0	0	0	0	112.9	N44 I450 Y466 F470	N44-G468 PolarHBondContact O-N 3.31Å; I450-G468 WeakPolarHBondContact CA-O 3.37Å; I450-G468 WeakPolarHBondContact CB-O 3.31Å; I450-G468 PolarHBondContact N-O 2.97Å; Y466-G468 PolarHBondContact O-N 3.23Å; G468-F470 PolarHBondContact O-N 3.49Å
469	I	98.9	Very high	98.4	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	116.7	177.6	-51.5	-173.6	0	0	0	109.8	A438 A442 I450 A452 A463 Y466 R467 P471	A438-I469 HydrophobicContact CB-CD1 3.77Å; A438-I469 HydrophobicContact CB-CG1 4.48Å; A442-I469 HydrophobicContact CB-CD1 4.05Å; A442-I469 HydrophobicContact CB-CG1 3.95Å; I450-I469 HydrophobicContact CB-CG1 4.41Å; I450-I469 HydrophobicContact CD1-CG1 4.25Å; I450-I469 HydrophobicContact CG2-CG1 4.49Å; I450-I469 CarbonylContact O-C 3.49Å; I450-I469 WeakPolarHBondContact O-CA 3.35Å; A452-I469 HydrophobicContact CB-CG2 3.48Å; A452-I469 VanDerWaalsContact CB-CG2 3.48Å; A463-I469 HydrophobicContact CB-CG2 3.87Å; Y466-I469 HydrophobicContact CG-CD1 4.15Å; Y466-I469 PolarHBondContact O-N 3.42Å; R467-I469 PolarHBondContact O-N 3.21Å; I469-P471 VanDerWaalsContact O-CD 3.31Å; I469-P471 WeakPolarHBondContact O-CD 3.35Å
470	F	98.9	Very high	98.1	Very high	41 Å²	41	40 Å²	40	18%	0.18	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	95.1	167.6	-169.5	-91	0	0	0	108.2	I450 I451 A452 G468 V472 V496 R500 F502	I450-F470 PolarHBondContact O-N 3.1Å; I451-F470 WeakPolarHBondContact CA-O 3.36Å; A452-F470 PolarHBondContact N-O 2.86Å; A452-F470 VanDerWaalsContact N-O 3.08Å; G468-F470 PolarHBondContact O-N 3.49Å; F470-V472 HydrophobicContact CD1-CG1 3.81Å; F470-V472 HydrophobicContact CE1-CG1 3.86Å; F470-V496 HydrophobicContact CD1-CG1 4.48Å; F470-V496 HydrophobicContact CE1-CG1 3.92Å; F470-R500 HydrophobicContact CZ-CG 4.43Å; F470-F502 HydrophobicContact CB-CE2 4.49Å; F470-F502 AromaticContact CD1-CE2 3.85Å; F470-F502 HydrophobicContact CD1-CE2 3.85Å; F470-F502 HydrophobicContact CD1-CZ 4.36Å; F470-F502 HydrophobicContact CD2-CE2 4.09Å; F470-F502 AromaticContact CD2-CZ 3.86Å; F470-F502 HydrophobicContact CD2-CZ 3.86Å; F470-F502 HydrophobicContact CE1-CE2 4.07Å; F470-F502 HydrophobicContact CE1-CZ 4.33Å; F470-F502 HydrophobicContact CE2-CE2 4.29Å; F470-F502 AromaticContact CE2-CZ 3.83Å; F470-F502 HydrophobicContact CE2-CZ 3.83Å; F470-F502 AromaticContact CG-CE2 3.86Å; F470-F502 HydrophobicContact CG-CE2 3.86Å; F470-F502 HydrophobicContact CG-CZ 4.13Å; F470-F502 HydrophobicContact CZ-CE2 4.29Å; F470-F502 HydrophobicContact CZ-CZ 4.08Å
471	P	98.9	Very high	98	Very high	3 Å²	3	42 Å²	42	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.7	-174.4	29.6	-34	0	0	0	111.8	P107 A460 A463 H464 I469	P107-P471 HydrophobicContact CG-CB 4.4Å; P107-P471 HydrophobicContact CG-CG 4.29Å; A460-P471 HydrophobicContact CB-CB 4.34Å; A460-P471 WeakPolarHBondContact O-CB 3.3Å; A460-P471 WeakPolarHBondContact O-CG 3.49Å; A463-P471 HydrophobicContact CB-CB 3.95Å; A463-P471 HydrophobicContact CB-CG 4.36Å; H464-P471 VanDerWaalsContact CE1-CD 3.48Å; H464-P471 WeakPolarHBondContact CE1-CD 3.35Å; H464-P471 WeakPolarHBondContact CE1-CG 3.45Å; I469-P471 VanDerWaalsContact O-CD 3.31Å; I469-P471 WeakPolarHBondContact O-CD 3.35Å
472	V	98.8	Very high	97.7	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.4	176.6	-57.4	0	0	0	0	109.9	I451 A452 V453 T454 F470 F492 V496	I451-V472 HydrophobicContact CG2-CG1 3.98Å; I451-V472 HydrophobicContact CG2-CG2 3.85Å; A452-V472 PolarHBondContact O-N 2.91Å; V453-V472 HydrophobicContact CB-CG2 4.08Å; V453-V472 HydrophobicContact CG1-CG2 4.24Å; V453-V472 HydrophobicContact CG2-CG2 3.69Å; T454-V472 PolarHBondContact N-O 3.31Å; T454-V472 VanDerWaalsContact N-O 3.09Å; F470-V472 HydrophobicContact CD1-CG1 3.81Å; F470-V472 HydrophobicContact CE1-CG1 3.86Å; V472-F492 HydrophobicContact CB-CE1 3.75Å; V472-F492 HydrophobicContact CB-CZ 4.39Å; V472-F492 HydrophobicContact CG2-CD1 4.08Å; V472-F492 HydrophobicContact CG2-CE1 3.67Å; V472-V496 HydrophobicContact CB-CG2 4.5Å; V472-V496 HydrophobicContact CG1-CB 4.36Å; V472-V496 HydrophobicContact CG1-CG1 3.82Å; V472-V496 HydrophobicContact CG1-CG2 4.12Å
473	L	98.8	Very high	97.6	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	103.1	-176.5	-177.4	60.7	0	0	0	109.6	Y105 T454 P457 A460 K475	Y105-L473 HydrophobicContact CD1-CB 4.46Å; Y105-L473 HydrophobicContact CE1-CB 4.38Å; Y105-L473 HydrophobicContact CE1-CD2 4.24Å; T454-L473 CarbonylContact O-C 3.58Å; T454-L473 WeakPolarHBondContact O-CA 3.35Å; P457-L473 HydrophobicContact CB-CD2 4.19Å; P457-L473 HydrophobicContact CG-CD1 4.27Å; P457-L473 HydrophobicContact CG-CD2 4.28Å; A460-L473 HydrophobicContact CB-CB 4.4Å; A460-L473 HydrophobicContact CB-CD1 4.49Å; L473-K475 HydrophobicContact CD2-CD 4.41Å; L473-K475 HydrophobicContact CG-CD 4.33Å
474	C	98.4	Very high	97.5	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.02	27%	0.272	C	S	.	.			trans	-70.8	128.8	173.7	176.5	0	0	0	0	109.3	V453 T454 R455 R489 F492	V453-C474 HydrophobicContact CG1-CB 4.02Å; T454-C474 PolarHBondContact O-N 3.31Å; R455-C474 HydrophobicContact CG-CB 4.11Å; C474-R489 HydrophobicContact CB-CG 4.47Å; C474-F492 HydrophobicContact CB-CD1 4.12Å; C474-F492 HydrophobicContact CB-CE1 4.18Å
475	K	97.4	Very high	97.4	Very high	120 Å²	120	51.2 Å²	51.2	52%	0.522	27%	0.27	S	S	.	.			trans	-106.6	-10.4	179.3	-64.9	-68	-170	169.2	0	112.8	P102 L473	P102-K475 HydrophobicContact CG-CG 4.46Å; L473-K475 HydrophobicContact CD2-CD 4.41Å; L473-K475 HydrophobicContact CG-CD 4.33Å
476	D	96.9	Very high	97.3	Very high	68 Å²	68	51.5 Å²	51.5	36%	0.364	27%	0.272	S	S	.	.	S	Bend	trans	-64.2	140.5	179.6	-57.2	-66.9	0	0	0	111.1	R455 L488	R455-D476 PolarHBondContact NE-O 3.43Å; R455-D476 PolarHBondContact NH2-O 3.39Å; R455-D476 VanDerWaalsContact NH2-O 3.12Å; D476-L488 HydrophobicContact CB-CD1 4.03Å; D476-L488 HydrophobicContact CB-CD2 3.59Å; D476-L488 HydrophobicContact CB-CG 4.41Å
477	P	96.5	Very high	97.3	Very high	99 Å²	99	54 Å²	54	64%	0.643	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-54.6	151.8	175	-24.7	33.8	0	0	0	112.6	R455 Q479	R455-P477 PolarHBondContact NH2-O 3Å; P477-Q479 PolarHBondContact O-N 2.86Å; P477-Q479 PolarHBondContact O-NE2 3.47Å
478	V	96.6	Very high	97.3	Very high	103 Å²	103	55.6 Å²	55.6	62%	0.624	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-66.2	129.7	173.1	-178.8	0	0	0	0	108.9	D485	V478-D485 WeakPolarHBondContact CA-OD1 3.34Å
479	Q	96.4	Very high	97.3	Very high	70 Å²	70	56.7 Å²	56.7	33%	0.327	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-82.7	147.3	173.5	-49.4	-58.3	-58.1	0	0	110.5	P477 E484 D485 L488	P477-Q479 PolarHBondContact O-N 2.86Å; P477-Q479 PolarHBondContact O-NE2 3.47Å; Q479-E484 HydrophobicContact CB-CB 4.38Å; Q479-D485 HydrophobicContact CB-CB 3.91Å; Q479-D485 HydrophobicContact CG-CB 4.27Å; Q479-D485 PolarHBondContact N-OD1 3.01Å; Q479-L488 HydrophobicContact CG-CD1 4.12Å
480	E	94	Very high	97.3	Very high	208 Å²	208	57.1 Å²	57.1	97%	0.972	30%	0.302	S	S	*	.	S	Bend	trans	-64.2	-42.5	178.1	-66.2	-173.9	173	0	0	111.7	W482	E480-W482 PolarHBondContact O-N 3.26Å
481	A	96.1	Very high	97.2	Very high	41 Å²	41	59 Å²	59	34%	0.339	31%	0.314	S	S	.	.	S	Bend	trans	-78.3	114.3	174.4	0	0	0	0	0	110.5	A483 E484 D485	A481-A483 VanDerWaalsContact C-N 3.26Å; A481-A483 PolarHBondContact O-N 3.32Å; A481-E484 HydrophobicContact CB-CB 4.11Å; A481-E484 HydrophobicContact CB-CG 3.86Å; A481-E484 PolarHBondContact O-N 2.7Å; A481-E484 VanDerWaalsContact O-N 3.1Å; A481-D485 PolarHBondContact O-N 3.46Å
482	W	93.8	Very high	97.2	Very high	76 Å²	76	59.5 Å²	59.5	29%	0.288	32%	0.316	S	S	.	.	H	α-helix	trans	-55.6	-39.4	-178.7	176.2	-116.3	0	0	0	113.4	E480 D485 V486 R516 P517	E480-W482 PolarHBondContact O-N 3.26Å; W482-D485 PolarHBondContact O-N 3.09Å; W482-V486 HydrophobicContact CD2-CG2 4.03Å; W482-V486 HydrophobicContact CH2-CG2 4.36Å; W482-V486 HydrophobicContact CZ2-CG2 3.79Å; W482-V486 WeakPolarHBondContact O-CG2 3.46Å; W482-V486 PolarHBondContact O-N 3.47Å; W482-R516 WeakPolarHBondContact CZ2-O 3.47Å; W482-P517 HydrophobicContact CB-CG 4.41Å; W482-P517 HydrophobicContact CD2-CB 4.29Å; W482-P517 HydrophobicContact CD2-CG 3.65Å; W482-P517 HydrophobicContact CE3-CB 3.9Å; W482-P517 HydrophobicContact CE3-CG 3.6Å; W482-P517 HydrophobicContact CG-CG 4.02Å; W482-P517 HydrophobicContact CH2-CB 4.16Å; W482-P517 HydrophobicContact CZ3-CB 3.82Å; W482-P517 HydrophobicContact CZ3-CG 4.07Å
483	A	95.3	Very high	97.2	Very high	65 Å²	65	59.2 Å²	59.2	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-43.9	178.7	0	0	0	0	0	111.8	A481 V486 D487	A481-A483 VanDerWaalsContact C-N 3.26Å; A481-A483 PolarHBondContact O-N 3.32Å; A483-V486 PolarHBondContact O-N 3.09Å; A483-D487 PolarHBondContact O-N 3.01Å
484	E	96.8	Very high	97.2	Very high	119 Å²	119	59.2 Å²	59.2	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-65.9	-39.5	176.8	-62.7	178.5	178	0	0	111.3	Q479 A481 V486 D487 L488	Q479-E484 HydrophobicContact CB-CB 4.38Å; A481-E484 HydrophobicContact CB-CB 4.11Å; A481-E484 HydrophobicContact CB-CG 3.86Å; A481-E484 PolarHBondContact O-N 2.7Å; A481-E484 VanDerWaalsContact O-N 3.1Å; E484-V486 VanDerWaalsContact C-N 3.32Å; E484-V486 PolarHBondContact O-N 3.34Å; E484-D487 PolarHBondContact O-N 3.02Å; E484-L488 VanDerWaalsContact O-CB 3.3Å; E484-L488 WeakPolarHBondContact O-CB 3.49Å; E484-L488 PolarHBondContact O-N 3.13Å
485	D	97.4	Very high	97.2	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-34.9	175.9	-169.3	70.4	0	0	0	112.8	R455 V478 Q479 A481 W482 R489	R455-D485 IonicContact CZ-OD1 2.97Å; R455-D485 VanDerWaalsContact CZ-OD1 3.25Å; R455-D485 IonicContact CZ-OD2 2.7Å; R455-D485 VanDerWaalsContact NH1-CG 3.3Å; R455-D485 IonicContact NH1-OD1 2.86Å; R455-D485 PolarHBondContact NH1-OD1 2.86Å; R455-D485 IonicContact NH1-OD2 2.82Å; R455-D485 PolarHBondContact NH1-OD2 3.21Å; R455-D485 IonicContact NH2-OD1 3.18Å; R455-D485 PolarHBondContact NH2-OD1 3.25Å; R455-D485 IonicContact NH2-OD2 3Å; V478-D485 WeakPolarHBondContact CA-OD1 3.34Å; Q479-D485 HydrophobicContact CB-CB 3.91Å; Q479-D485 HydrophobicContact CG-CB 4.27Å; Q479-D485 PolarHBondContact N-OD1 3.01Å; A481-D485 PolarHBondContact O-N 3.46Å; W482-D485 PolarHBondContact O-N 3.09Å; D485-R489 WeakPolarHBondContact O-CG 3.38Å; D485-R489 PolarHBondContact O-N 3.27Å; D485-R489 PolarHBondContact O-NE 3.37Å; D485-R489 IonicContact OD2-CZ 2.87Å; D485-R489 IonicContact OD2-NE 2.8Å; D485-R489 PolarHBondContact OD2-NE 2.74Å; D485-R489 IonicContact OD2-NH2 3Å; D485-R489 PolarHBondContact OD2-NH2 2.92Å
486	V	97.7	Very high	97.3	Very high	8 Å²	8	57 Å²	57	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-50.1	172.8	165.8	0	0	0	0	110.1	L431 W482 A483 E484 L488 R489 V490 T513	L431-V486 HydrophobicContact CD2-CB 4.31Å; L431-V486 HydrophobicContact CD2-CG1 3.98Å; L431-V486 HydrophobicContact CD2-CG2 4.24Å; W482-V486 HydrophobicContact CD2-CG2 4.03Å; W482-V486 HydrophobicContact CH2-CG2 4.36Å; W482-V486 HydrophobicContact CZ2-CG2 3.79Å; W482-V486 WeakPolarHBondContact O-CG2 3.46Å; W482-V486 PolarHBondContact O-N 3.47Å; A483-V486 PolarHBondContact O-N 3.09Å; E484-V486 VanDerWaalsContact C-N 3.32Å; E484-V486 PolarHBondContact O-N 3.34Å; V486-L488 VanDerWaalsContact C-N 3.31Å; V486-L488 PolarHBondContact O-N 3.24Å; V486-R489 PolarHBondContact O-N 2.76Å; V486-R489 VanDerWaalsContact O-N 3.16Å; V486-V490 HydrophobicContact CG1-CG2 4.33Å; V486-V490 WeakPolarHBondContact O-CG2 3.31Å; V486-V490 PolarHBondContact O-N 3.35Å; V486-T513 HydrophobicContact CG1-CG2 3.73Å
487	D	97.9	Very high	97.4	Very high	78 Å²	78	53.8 Å²	53.8	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-38.4	-178.1	-72.2	-17.2	0	0	0	111.7	A483 E484 R489 V490 N491	A483-D487 PolarHBondContact O-N 3.01Å; E484-D487 PolarHBondContact O-N 3.02Å; D487-R489 PolarHBondContact O-N 2.94Å; D487-V490 PolarHBondContact O-N 2.92Å; D487-N491 VanDerWaalsContact O-CB 3.31Å; D487-N491 WeakPolarHBondContact O-CB 3.22Å; D487-N491 VanDerWaalsContact O-CG 3.25Å; D487-N491 PolarHBondContact O-N 2.86Å; D487-N491 PolarHBondContact O-ND2 3.48Å; D487-N491 VanDerWaalsContact O-ND2 3.11Å
488	L	98.4	Very high	97.5	Very high	43 Å²	43	52.8 Å²	52.8	23%	0.225	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-50.2	172.5	-177.5	152.3	0	0	0	111.2	D476 Q479 E484 V486 N491 F492	D476-L488 HydrophobicContact CB-CD1 4.03Å; D476-L488 HydrophobicContact CB-CD2 3.59Å; D476-L488 HydrophobicContact CB-CG 4.41Å; Q479-L488 HydrophobicContact CG-CD1 4.12Å; E484-L488 VanDerWaalsContact O-CB 3.3Å; E484-L488 WeakPolarHBondContact O-CB 3.49Å; E484-L488 PolarHBondContact O-N 3.13Å; V486-L488 VanDerWaalsContact C-N 3.31Å; V486-L488 PolarHBondContact O-N 3.24Å; L488-N491 PolarHBondContact O-N 3.23Å; L488-F492 WeakPolarHBondContact O-CB 3.41Å; L488-F492 PolarHBondContact O-N 2.87Å
489	R	98.5	Very high	97.6	Very high	26 Å²	26	50.7 Å²	50.7	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-69.4	-35.7	-178.3	-76.4	178.2	-72.2	156.5	-5.1	112.6	L431 V453 C474 D485 V486 D487 F492 A493	L431-R489 HydrophobicContact CD2-CB 3.95Å; L431-R489 HydrophobicContact CG-CB 4.14Å; V453-R489 HydrophobicContact CG1-CB 3.94Å; V453-R489 HydrophobicContact CG1-CG 4.11Å; C474-R489 HydrophobicContact CB-CG 4.47Å; D485-R489 WeakPolarHBondContact O-CG 3.38Å; D485-R489 PolarHBondContact O-N 3.27Å; D485-R489 PolarHBondContact O-NE 3.37Å; D485-R489 IonicContact OD2-CZ 2.87Å; D485-R489 IonicContact OD2-NE 2.8Å; D485-R489 PolarHBondContact OD2-NE 2.74Å; D485-R489 IonicContact OD2-NH2 3Å; D485-R489 PolarHBondContact OD2-NH2 2.92Å; V486-R489 PolarHBondContact O-N 2.76Å; V486-R489 VanDerWaalsContact O-N 3.16Å; D487-R489 PolarHBondContact O-N 2.94Å; R489-F492 PolarHBondContact O-N 3.47Å; R489-A493 PolarHBondContact O-N 3.2Å; R489-A493 VanDerWaalsContact O-N 3.14Å
490	V	98.7	Very high	97.6	Very high	16 Å²	16	49.8 Å²	49.8	10%	0.097	26%	0.264	C	S	.	.	H	α-helix	trans	-64.7	-46.6	173.1	173.4	0	0	0	0	110.2	L431 V486 D487 F492 A493 M494 V511 T513	L431-V490 HydrophobicContact CD1-CG2 3.81Å; L431-V490 HydrophobicContact CD2-CG2 4.43Å; V486-V490 HydrophobicContact CG1-CG2 4.33Å; V486-V490 WeakPolarHBondContact O-CG2 3.31Å; V486-V490 PolarHBondContact O-N 3.35Å; D487-V490 PolarHBondContact O-N 2.92Å; V490-F492 VanDerWaalsContact C-N 3.31Å; V490-F492 PolarHBondContact O-N 3.2Å; V490-A493 WeakPolarHBondContact O-CB 3.46Å; V490-A493 PolarHBondContact O-N 2.92Å; V490-A493 VanDerWaalsContact O-N 3.13Å; V490-M494 HydrophobicContact CG1-CE 4.07Å; V490-M494 HydrophobicContact CG1-CG 4.49Å; V490-M494 WeakPolarHBondContact O-CG 3.41Å; V490-M494 PolarHBondContact O-N 3.46Å; V490-V511 HydrophobicContact CG1-CG1 4.22Å; V490-V511 HydrophobicContact CG1-CG2 4.33Å; V490-V511 HydrophobicContact CG2-CG1 3.74Å; V490-T513 HydrophobicContact CG2-CG2 4.47Å
491	N	98.6	Very high	97.8	Very high	81 Å²	81	41.8 Å²	41.8	43%	0.433	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-38.4	177.1	-75.7	-34.9	0	0	0	112.3	D487 L488 A493 M494 N495	D487-N491 VanDerWaalsContact O-CB 3.31Å; D487-N491 WeakPolarHBondContact O-CB 3.22Å; D487-N491 VanDerWaalsContact O-CG 3.25Å; D487-N491 PolarHBondContact O-N 2.86Å; D487-N491 PolarHBondContact O-ND2 3.48Å; D487-N491 VanDerWaalsContact O-ND2 3.11Å; L488-N491 PolarHBondContact O-N 3.23Å; N491-A493 PolarHBondContact O-N 3.24Å; N491-M494 WeakPolarHBondContact O-CB 3.25Å; N491-M494 PolarHBondContact O-N 2.89Å; N491-N495 VanDerWaalsContact O-CG 3.29Å; N491-N495 PolarHBondContact O-N 2.95Å; N491-N495 PolarHBondContact O-ND2 3.43Å
492	F	98.8	Very high	97.9	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.057	23%	0.227	C	C	.	.	H	α-helix	trans	-57.1	-48.3	171.6	176.4	-111.8	0	0	0	111.7	P102 I103 V453 V472 C474 L488 R489 V490 M494 N495 V496	P102-F492 HydrophobicContact CB-CE2 4.04Å; P102-F492 HydrophobicContact CB-CZ 4.29Å; P102-F492 WeakPolarHBondContact O-CZ 3.25Å; I103-F492 HydrophobicContact CD1-CD2 3.59Å; I103-F492 HydrophobicContact CD1-CE2 3.53Å; I103-F492 HydrophobicContact CG1-CE2 4.43Å; V453-F492 HydrophobicContact CG1-CD1 4.04Å; V472-F492 HydrophobicContact CB-CE1 3.75Å; V472-F492 HydrophobicContact CB-CZ 4.39Å; V472-F492 HydrophobicContact CG2-CD1 4.08Å; V472-F492 HydrophobicContact CG2-CE1 3.67Å; C474-F492 HydrophobicContact CB-CD1 4.12Å; C474-F492 HydrophobicContact CB-CE1 4.18Å; L488-F492 WeakPolarHBondContact O-CB 3.41Å; L488-F492 PolarHBondContact O-N 2.87Å; R489-F492 PolarHBondContact O-N 3.47Å; V490-F492 VanDerWaalsContact C-N 3.31Å; V490-F492 PolarHBondContact O-N 3.2Å; F492-M494 PolarHBondContact O-N 3.05Å; F492-N495 PolarHBondContact O-N 2.68Å; F492-V496 HydrophobicContact CE1-CG2 4.33Å; F492-V496 HydrophobicContact CE2-CG2 4.24Å; F492-V496 HydrophobicContact CZ-CG2 4.11Å; F492-V496 WeakPolarHBondContact O-CG2 3.49Å; F492-V496 PolarHBondContact O-N 3.37Å
493	A	98.8	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-39.1	174.9	0	0	0	0	0	113.4	I429 I451 V453 R489 V490 N491 N495 V496 G497	I429-A493 HydrophobicContact CB-CB 4.38Å; I429-A493 HydrophobicContact CD1-CB 3.88Å; I429-A493 HydrophobicContact CG1-CB 4Å; I429-A493 HydrophobicContact CG2-CB 3.5Å; I451-A493 HydrophobicContact CG2-CB 3.8Å; V453-A493 HydrophobicContact CG2-CB 3.62Å; R489-A493 PolarHBondContact O-N 3.2Å; R489-A493 VanDerWaalsContact O-N 3.14Å; V490-A493 WeakPolarHBondContact O-CB 3.46Å; V490-A493 PolarHBondContact O-N 2.92Å; V490-A493 VanDerWaalsContact O-N 3.13Å; N491-A493 PolarHBondContact O-N 3.24Å; A493-N495 VanDerWaalsContact C-N 3.31Å; A493-N495 PolarHBondContact O-N 3.35Å; A493-V496 PolarHBondContact O-N 3.36Å; A493-G497 PolarHBondContact O-N 3.13Å
494	M	98.6	Very high	98.3	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-42.6	174.5	-64.5	-62.4	-173.1	0	0	111.3	I429 V490 N491 F492 K498 F503 V509 V511 V528 V530 P531	I429-M494 HydrophobicContact CD1-CE 3.75Å; I429-M494 HydrophobicContact CD1-CG 4.3Å; I429-M494 HydrophobicContact CD1-SD 3.58Å; I429-M494 VanDerWaalsContact CD1-SD 3.58Å; V490-M494 HydrophobicContact CG1-CE 4.07Å; V490-M494 HydrophobicContact CG1-CG 4.49Å; V490-M494 WeakPolarHBondContact O-CG 3.41Å; V490-M494 PolarHBondContact O-N 3.46Å; N491-M494 WeakPolarHBondContact O-CB 3.25Å; N491-M494 PolarHBondContact O-N 2.89Å; F492-M494 PolarHBondContact O-N 3.05Å; M494-K498 WeakPolarHBondContact O-CB 3.33Å; M494-K498 WeakPolarHBondContact O-CE 3.46Å; M494-K498 WeakPolarHBondContact O-CG 3.36Å; M494-K498 PolarHBondContact O-N 3.34Å; M494-F503 WeakPolarHBondContact O-CE2 3.25Å; M494-F503 HydrophobicContact SD-CE2 4.29Å; M494-F503 HydrophobicContact SD-CZ 4.28Å; M494-V509 HydrophobicContact CE-CG2 3.43Å; M494-V509 VanDerWaalsContact CE-CG2 3.43Å; M494-V509 HydrophobicContact SD-CG2 3.94Å; M494-V511 HydrophobicContact CE-CG2 4.25Å; M494-V528 HydrophobicContact CE-CG2 3.91Å; M494-V530 HydrophobicContact SD-CG1 4.38Å; M494-V530 HydrophobicContact SD-CG2 4.14Å; M494-P531 HydrophobicContact CG-CG 4.48Å
495	N	98.8	Very high	98.3	Very high	77 Å²	77	44.5 Å²	44.5	41%	0.412	23%	0.229	S	C	.	.	H	α-helix	trans	-67.6	-41	178.2	-69.1	-23.2	0	0	0	111.7	I103 N491 F492 A493 K498 A499	I103-N495 HydrophobicContact CD1-CB 3.75Å; N491-N495 VanDerWaalsContact O-CG 3.29Å; N491-N495 PolarHBondContact O-N 2.95Å; N491-N495 PolarHBondContact O-ND2 3.43Å; F492-N495 PolarHBondContact O-N 2.68Å; A493-N495 VanDerWaalsContact C-N 3.31Å; A493-N495 PolarHBondContact O-N 3.35Å; N495-K498 PolarHBondContact O-N 3.08Å; N495-A499 VanDerWaalsContact O-CB 3.31Å; N495-A499 WeakPolarHBondContact O-CB 3.47Å; N495-A499 PolarHBondContact O-N 2.82Å
496	V	98.8	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-51.8	173.2	175.3	0	0	0	0	111.5	I103 F470 V472 F492 A493 K498 A499 R500	I103-V496 HydrophobicContact CD1-CG2 4.02Å; I103-V496 HydrophobicContact CG2-CG2 4.24Å; F470-V496 HydrophobicContact CD1-CG1 4.48Å; F470-V496 HydrophobicContact CE1-CG1 3.92Å; V472-V496 HydrophobicContact CB-CG2 4.5Å; V472-V496 HydrophobicContact CG1-CB 4.36Å; V472-V496 HydrophobicContact CG1-CG1 3.82Å; V472-V496 HydrophobicContact CG1-CG2 4.12Å; F492-V496 HydrophobicContact CE1-CG2 4.33Å; F492-V496 HydrophobicContact CE2-CG2 4.24Å; F492-V496 HydrophobicContact CZ-CG2 4.11Å; F492-V496 WeakPolarHBondContact O-CG2 3.49Å; F492-V496 PolarHBondContact O-N 3.37Å; A493-V496 PolarHBondContact O-N 3.36Å; V496-K498 VanDerWaalsContact C-N 3.3Å; V496-K498 PolarHBondContact O-N 2.75Å; V496-A499 PolarHBondContact O-N 3Å; V496-R500 HydrophobicContact CG1-CG 4.01Å; V496-R500 WeakPolarHBondContact O-CB 3.4Å; V496-R500 VanDerWaalsContact O-CG 3.25Å; V496-R500 WeakPolarHBondContact O-CG 3.31Å; V496-R500 PolarHBondContact O-N 2.93Å
497	G	98.6	Very high	98.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-35.2	-177.6	0	0	0	0	0	113.2	A493 G501 F502 F503	A493-G497 PolarHBondContact O-N 3.13Å; G497-G501 PolarHBondContact O-N 3.31Å; G497-F502 PolarHBondContact O-N 3.34Å; G497-F503 VanDerWaalsContact CA-CZ 3.45Å; G497-F503 PolarHBondContact O-N 3.26Å
498	K	98.7	Very high	98.3	Very high	77 Å²	77	48.3 Å²	48.3	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-51	171.1	-75.7	-174.5	-71.8	-169.1	0	112	M494 N495 V496 R500 G501 F503 V530 P531	M494-K498 WeakPolarHBondContact O-CB 3.33Å; M494-K498 WeakPolarHBondContact O-CE 3.46Å; M494-K498 WeakPolarHBondContact O-CG 3.36Å; M494-K498 PolarHBondContact O-N 3.34Å; N495-K498 PolarHBondContact O-N 3.08Å; V496-K498 VanDerWaalsContact C-N 3.3Å; V496-K498 PolarHBondContact O-N 2.75Å; K498-R500 VanDerWaalsContact C-N 3.28Å; K498-R500 PolarHBondContact O-N 2.71Å; K498-G501 PolarHBondContact O-N 2.94Å; K498-G501 VanDerWaalsContact O-N 3.12Å; K498-F503 HydrophobicContact CG-CD2 4.13Å; K498-F503 HydrophobicContact CG-CE2 4.09Å; K498-V530 HydrophobicContact CD-CG1 4.06Å; K498-V530 HydrophobicContact CG-CG1 4.19Å; K498-P531 PolarHBondContact NZ-O 3.03Å; K498-P531 VanDerWaalsContact NZ-O 3.11Å
499	A	98.4	Very high	98.4	Very high	60 Å²	60	46.3 Å²	46.3	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-64.5	-31.8	-178.1	0	0	0	0	0	113.1	I103 L104 N495 V496 G501	I103-A499 HydrophobicContact CG2-CB 3.49Å; I103-A499 VanDerWaalsContact CG2-CB 3.49Å; L104-A499 HydrophobicContact CD2-CB 4.29Å; N495-A499 VanDerWaalsContact O-CB 3.31Å; N495-A499 WeakPolarHBondContact O-CB 3.47Å; N495-A499 PolarHBondContact O-N 2.82Å; V496-A499 PolarHBondContact O-N 3Å; A499-G501 VanDerWaalsContact C-N 3.35Å
500	R	97.7	Very high	98.4	Very high	51 Å²	51	45 Å²	45	19%	0.192	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.8	176.6	-66.9	-70.4	-167.3	-147.5	0.4	114	T41 L104 Y105 F470 V496 K498 F502	T41-R500 WeakPolarHBondContact CG2-O 3.49Å; L104-R500 VanDerWaalsContact CA-NH2 3.34Å; L104-R500 PolarHBondContact O-NH2 2.61Å; Y105-R500 PolarHBondContact O-NH2 2.93Å; F470-R500 HydrophobicContact CZ-CG 4.43Å; V496-R500 HydrophobicContact CG1-CG 4.01Å; V496-R500 WeakPolarHBondContact O-CB 3.4Å; V496-R500 VanDerWaalsContact O-CG 3.25Å; V496-R500 WeakPolarHBondContact O-CG 3.31Å; V496-R500 PolarHBondContact O-N 2.93Å; K498-R500 VanDerWaalsContact C-N 3.28Å; K498-R500 PolarHBondContact O-N 2.71Å; R500-F502 VanDerWaalsContact C-N 3.31Å; R500-F502 HydrophobicContact CB-CD1 3.84Å; R500-F502 HydrophobicContact CB-CD2 4.11Å; R500-F502 HydrophobicContact CB-CE1 3.67Å; R500-F502 HydrophobicContact CB-CE2 3.94Å; R500-F502 HydrophobicContact CB-CG 4.06Å; R500-F502 HydrophobicContact CB-CZ 3.72Å; R500-F502 HydrophobicContact CG-CE1 4.48Å; R500-F502 HydrophobicContact CG-CE2 4.25Å; R500-F502 HydrophobicContact CG-CZ 4.1Å; R500-F502 PolarHBondContact O-N 3.14Å
501	G	98.1	Very high	98.4	Very high	39 Å²	39	44.5 Å²	44.5	40%	0.402	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	31.2	-176.3	0	0	0	0	0	113.6	T41 G497 K498 A499	T41-G501 WeakPolarHBondContact CB-O 3.35Å; T41-G501 PolarHBondContact OG1-O 2.81Å; G497-G501 PolarHBondContact O-N 3.31Å; K498-G501 PolarHBondContact O-N 2.94Å; K498-G501 VanDerWaalsContact O-N 3.12Å; A499-G501 VanDerWaalsContact C-N 3.35Å
502	F	98.3	Very high	98.4	Very high	32 Å²	32	40.7 Å²	40.7	14%	0.14	22%	0.224	C	C	.	.	S	Bend	trans	-77.1	-34.2	171.4	-61.7	-15.6	0	0	0	111.2	A42 P449 I451 F470 G497 R500	A42-F502 HydrophobicContact CB-CD1 3.83Å; A42-F502 HydrophobicContact CB-CE1 3.77Å; A42-F502 HydrophobicContact CB-CG 4.43Å; A42-F502 HydrophobicContact CB-CZ 4.33Å; P449-F502 HydrophobicContact CG-CD2 4.4Å; P449-F502 HydrophobicContact CG-CG 4.47Å; I451-F502 HydrophobicContact CD1-CD2 4.14Å; I451-F502 HydrophobicContact CG1-CD2 4.48Å; F470-F502 HydrophobicContact CB-CE2 4.49Å; F470-F502 AromaticContact CD1-CE2 3.85Å; F470-F502 HydrophobicContact CD1-CE2 3.85Å; F470-F502 HydrophobicContact CD1-CZ 4.36Å; F470-F502 HydrophobicContact CD2-CE2 4.09Å; F470-F502 AromaticContact CD2-CZ 3.86Å; F470-F502 HydrophobicContact CD2-CZ 3.86Å; F470-F502 HydrophobicContact CE1-CE2 4.07Å; F470-F502 HydrophobicContact CE1-CZ 4.33Å; F470-F502 HydrophobicContact CE2-CE2 4.29Å; F470-F502 AromaticContact CE2-CZ 3.83Å; F470-F502 HydrophobicContact CE2-CZ 3.83Å; F470-F502 AromaticContact CG-CE2 3.86Å; F470-F502 HydrophobicContact CG-CE2 3.86Å; F470-F502 HydrophobicContact CG-CZ 4.13Å; F470-F502 HydrophobicContact CZ-CE2 4.29Å; F470-F502 HydrophobicContact CZ-CZ 4.08Å; G497-F502 PolarHBondContact O-N 3.34Å; R500-F502 VanDerWaalsContact C-N 3.31Å; R500-F502 HydrophobicContact CB-CD1 3.84Å; R500-F502 HydrophobicContact CB-CD2 4.11Å; R500-F502 HydrophobicContact CB-CE1 3.67Å; R500-F502 HydrophobicContact CB-CE2 3.94Å; R500-F502 HydrophobicContact CB-CG 4.06Å; R500-F502 HydrophobicContact CB-CZ 3.72Å; R500-F502 HydrophobicContact CG-CE1 4.48Å; R500-F502 HydrophobicContact CG-CE2 4.25Å; R500-F502 HydrophobicContact CG-CZ 4.1Å; R500-F502 PolarHBondContact O-N 3.14Å
503	F	98.4	Very high	98.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.026	22%	0.222	C	C	.	.			trans	-155.6	165.9	178.9	48	-109	0	0	0	112	A426 A427 I451 M494 G497 K498 D507 V509 V530	A426-F503 HydrophobicContact CB-CB 3.53Å; A426-F503 HydrophobicContact CB-CD1 4.38Å; A426-F503 HydrophobicContact CB-CG 4.4Å; A427-F503 HydrophobicContact CB-CD1 3.71Å; A427-F503 HydrophobicContact CB-CE1 3.54Å; I451-F503 HydrophobicContact CD1-CE1 3.68Å; I451-F503 HydrophobicContact CD1-CZ 4.12Å; M494-F503 WeakPolarHBondContact O-CE2 3.25Å; M494-F503 HydrophobicContact SD-CE2 4.29Å; M494-F503 HydrophobicContact SD-CZ 4.28Å; G497-F503 VanDerWaalsContact CA-CZ 3.45Å; G497-F503 PolarHBondContact O-N 3.26Å; K498-F503 HydrophobicContact CG-CD2 4.13Å; K498-F503 HydrophobicContact CG-CE2 4.09Å; F503-D507 HydrophobicContact CB-CB 4.17Å; F503-V509 HydrophobicContact CD1-CG1 4.02Å; F503-V509 HydrophobicContact CE1-CG1 4.09Å; F503-V509 HydrophobicContact CG-CG1 4.38Å; F503-V509 HydrophobicContact CZ-CG1 4.5Å; F503-V530 HydrophobicContact CD2-CB 4.33Å; F503-V530 HydrophobicContact CD2-CG1 3.83Å; F503-V530 HydrophobicContact CD2-CG2 3.58Å; F503-V530 HydrophobicContact CE2-CG1 3.89Å; F503-V530 HydrophobicContact CE2-CG2 3.85Å; F503-V530 HydrophobicContact CG-CG2 4.12Å
504	K	97.6	Very high	97.9	Very high	162 Å²	162	41 Å²	41	70%	0.704	23%	0.23	S	C	*	.			trans	-119.2	167	178.6	-62	177.2	-176.1	176.4	0	110.6	G506 D507 V530	K504-G506 PolarHBondContact O-N 2.8Å; K504-D507 PolarHBondContact N-OD2 2.97Å; K504-D507 WeakPolarHBondContact O-CB 3.48Å; K504-D507 PolarHBondContact O-N 2.78Å; K504-D507 VanDerWaalsContact O-N 3.14Å; K504-V530 WeakPolarHBondContact O-CB 3.16Å
505	K	97.6	Very high	97.2	Very high	159 Å²	159	47.8 Å²	47.8	69%	0.691	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	133.2	172	177.6	171	179.7	132.7	0	110.3	D507 P531	K505-D507 VanDerWaalsContact C-N 3.34Å; K505-P531 VanDerWaalsContact CD-OXT 3.3Å; K505-P531 WeakPolarHBondContact CD-OXT 3.3Å; K505-P531 WeakPolarHBondContact CE-OXT 3.42Å; K505-P531 PolarHBondContact NZ-OXT 3.01Å
506	G	97.4	Very high	96.7	Very high	52 Å²	52	49.1 Å²	49.1	54%	0.536	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-14.4	-177.9	0	0	0	0	0	115.3	K504 V530	K504-G506 PolarHBondContact O-N 2.8Å; G506-V530 PolarHBondContact N-O 3.14Å
507	D	98.1	Very high	96.1	Very high	65 Å²	65	52.8 Å²	52.8	35%	0.348	28%	0.278	S	S	.	.			trans	-65.1	155.5	169.4	-68.6	-20.7	0	0	0	110.2	A426 F503 K504 K505 P529 V530	A426-D507 HydrophobicContact CB-CB 4.1Å; F503-D507 HydrophobicContact CB-CB 4.17Å; K504-D507 PolarHBondContact N-OD2 2.97Å; K504-D507 WeakPolarHBondContact O-CB 3.48Å; K504-D507 PolarHBondContact O-N 2.78Å; K504-D507 VanDerWaalsContact O-N 3.14Å; K505-D507 VanDerWaalsContact C-N 3.34Å; D507-P529 CarbonylContact O-C 3.51Å; D507-P529 WeakPolarHBondContact O-CA 3.39Å; D507-V530 HydrophobicContact CB-CG2 4.42Å; D507-V530 WeakPolarHBondContact O-CG2 3.27Å; D507-V530 PolarHBondContact O-N 3.49Å
508	V	98.4	Very high	95.2	Very high	50 Å²	50	54.8 Å²	54.8	30%	0.303	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.7	179.8	178.1	0	0	0	0	110.2	A425 A426 V527	A425-V508 CarbonylContact C-O 3.57Å; A425-V508 WeakPolarHBondContact CA-O 3.43Å; A426-V508 PolarHBondContact N-O 3.11Å; V508-V527 HydrophobicContact CG1-CG1 3.36Å
509	V	98.8	Very high	94.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.4	173.4	-63.4	0	0	0	0	111.2	A427 I429 M494 F503 V511 V528 V530	A427-V509 HydrophobicContact CB-CG1 4.09Å; A427-V509 WeakPolarHBondContact O-CA 3.34Å; I429-V509 HydrophobicContact CD1-CG2 4.23Å; M494-V509 HydrophobicContact CE-CG2 3.43Å; M494-V509 VanDerWaalsContact CE-CG2 3.43Å; M494-V509 HydrophobicContact SD-CG2 3.94Å; F503-V509 HydrophobicContact CD1-CG1 4.02Å; F503-V509 HydrophobicContact CE1-CG1 4.09Å; F503-V509 HydrophobicContact CG-CG1 4.38Å; F503-V509 HydrophobicContact CZ-CG1 4.5Å; V509-V511 HydrophobicContact CG2-CG2 4.34Å; V509-V528 HydrophobicContact CG2-CG2 3.83Å; V509-V528 PolarHBondContact N-O 3.4Å; V509-V528 PolarHBondContact O-N 2.92Å; V509-V530 HydrophobicContact CG1-CG2 3.69Å; V509-V530 HydrophobicContact CG2-CG2 4.16Å
510	I	98.8	Very high	93.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	131.4	173.6	-47.5	-60.7	0	0	0	108.3	A419 A425 A427 L428 I429 M525 R526 V527	A419-I510 HydrophobicContact CB-CD1 4.07Å; A425-I510 HydrophobicContact CB-CD1 4.24Å; A425-I510 HydrophobicContact CB-CG1 3.88Å; A427-I510 PolarHBondContact O-N 3.46Å; L428-I510 CarbonylContact C-O 3.54Å; L428-I510 WeakPolarHBondContact CA-O 3.28Å; L428-I510 HydrophobicContact CD2-CB 4.24Å; L428-I510 HydrophobicContact CD2-CG1 4.45Å; L428-I510 HydrophobicContact CD2-CG2 4.47Å; L428-I510 HydrophobicContact CG-CB 4.12Å; L428-I510 HydrophobicContact CG-CG1 4.32Å; I429-I510 PolarHBondContact N-O 3.12Å; I510-M525 HydrophobicContact CG2-CG 3.73Å; I510-M525 HydrophobicContact CG2-SD 4.06Å; I510-R526 CarbonylContact C-O 3.59Å; I510-R526 WeakPolarHBondContact CA-O 3.42Å; I510-V527 HydrophobicContact CD1-CB 4.37Å; I510-V527 HydrophobicContact CD1-CG1 4.1Å; I510-V527 HydrophobicContact CD1-CG2 3.76Å
511	V	98.8	Very high	93.5	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.2	179.1	-177.7	0	0	0	0	109.6	I429 V490 M494 V509 T513 M525 R526 V528	I429-V511 HydrophobicContact CB-CG2 4.32Å; I429-V511 HydrophobicContact CD1-CG2 4.38Å; I429-V511 WeakPolarHBondContact O-CA 3.49Å; V490-V511 HydrophobicContact CG1-CG1 4.22Å; V490-V511 HydrophobicContact CG1-CG2 4.33Å; V490-V511 HydrophobicContact CG2-CG1 3.74Å; M494-V511 HydrophobicContact CE-CG2 4.25Å; V509-V511 HydrophobicContact CG2-CG2 4.34Å; V511-T513 HydrophobicContact CG1-CG2 3.99Å; V511-M525 CarbonylContact O-C 3.5Å; V511-M525 WeakPolarHBondContact O-CA 3.4Å; V511-R526 PolarHBondContact N-O 3.47Å; V511-R526 PolarHBondContact O-N 3.35Å; V511-V528 HydrophobicContact CG2-CG2 3.72Å
512	L	98.3	Very high	93.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122	178.1	-74.3	169.1	0	0	0	111.1	M412 I429 V430 L431 V441 T522 T524 M525	M412-L512 HydrophobicContact CE-CD2 4.1Å; I429-L512 PolarHBondContact O-N 3.36Å; V430-L512 HydrophobicContact CG1-CB 4.34Å; V430-L512 HydrophobicContact CG2-CB 4.29Å; V430-L512 HydrophobicContact CG2-CD1 3.94Å; L431-L512 PolarHBondContact N-O 3.19Å; V441-L512 HydrophobicContact CG2-CD1 3.49Å; V441-L512 VanDerWaalsContact CG2-CD1 3.49Å; L512-T522 HydrophobicContact CB-CG2 4.38Å; L512-T524 WeakPolarHBondContact CA-O 3.34Å; L512-M525 HydrophobicContact CD2-CB 3.87Å; L512-M525 HydrophobicContact CD2-CG 4.24Å
513	T	96.4	Very high	93	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.5	-179.1	61.6	0	0	0	0	111.9	L431 V486 V490 V511 N523 T524	L431-T513 HydrophobicContact CD1-CG2 4.28Å; L431-T513 HydrophobicContact CD2-CG2 4.13Å; V486-T513 HydrophobicContact CG1-CG2 3.73Å; V490-T513 HydrophobicContact CG2-CG2 4.47Å; V511-T513 HydrophobicContact CG1-CG2 3.99Å; T513-N523 PolarHBondContact O-N 3.13Å; T513-N523 VanDerWaalsContact O-N 3.14Å; T513-T524 PolarHBondContact N-O 3.05Å; T513-T524 PolarHBondContact O-N 3.08Å
514	G	90.9	Very high	92.9	Very high	15 Å²	15	56.3 Å²	56.3	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.5	172.7	0	0	0	0	0	112.1	R516 F521	G514-R516 PolarHBondContact O-N 2.98Å; G514-F521 VanDerWaalsContact CA-O 3.23Å; G514-F521 WeakPolarHBondContact CA-O 3.47Å
515	W	85.5	Confident	92.9	Very high	149 Å²	149	52.1 Å²	52.1	56%	0.564	30%	0.3	S	S	*	.	S	Bend	trans	-68.4	-20	177.7	71.1	-81.4	0	0	0	113.8	N523	W515-N523 WeakPolarHBondContact CB-OD1 3.43Å; W515-N523 PolarHBondContact N-OD1 3.34Å
516	R	87	Confident	92.9	Very high	105 Å²	105	50.3 Å²	50.3	40%	0.396	29%	0.289	S	S	.	.	S	Bend	trans	-140.9	162.8	177.5	70.6	171.1	-179.6	-167.8	5.6	112.6	W482 G514 F521	W482-R516 WeakPolarHBondContact CZ2-O 3.47Å; G514-R516 PolarHBondContact O-N 2.98Å; R516-F521 HydrophobicContact CG-CB 3.96Å; R516-F521 HydrophobicContact CG-CD2 3.72Å; R516-F521 HydrophobicContact CG-CE2 4.48Å; R516-F521 HydrophobicContact CG-CG 3.83Å
517	P	85.5	Confident	93	Very high	77 Å²	77	51.6 Å²	51.6	50%	0.5	29%	0.286	S	S	.	.	S	Bend	trans	-59.6	154.9	172.2	-18.8	28.7	0	0	0	113.8	W482	W482-P517 HydrophobicContact CB-CG 4.41Å; W482-P517 HydrophobicContact CD2-CB 4.29Å; W482-P517 HydrophobicContact CD2-CG 3.65Å; W482-P517 HydrophobicContact CE3-CB 3.9Å; W482-P517 HydrophobicContact CE3-CG 3.6Å; W482-P517 HydrophobicContact CG-CG 4.02Å; W482-P517 HydrophobicContact CH2-CB 4.16Å; W482-P517 HydrophobicContact CZ3-CB 3.82Å; W482-P517 HydrophobicContact CZ3-CG 4.07Å
518	G	80.8	Confident	92.9	Very high	43 Å²	43	50.6 Å²	50.6	44%	0.443	28%	0.282	S	S	.	.	S	Bend	trans	94.9	172.2	175.5	0	0	0	0	0	115.1
519	S	83.4	Confident	92.9	Very high	58 Å²	58	52.5 Å²	52.5	41%	0.406	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	142.7	-176.3	-158.7	0	0	0	0	113.2	E433 S434 F521	E433-S519 PolarHBondContact OE2-N 3.4Å; S434-S519 PolarHBondContact OG-OG 2.72Å; S519-F521 WeakPolarHBondContact O-CD2 3.44Å; S519-F521 WeakPolarHBondContact O-CE2 3.43Å
520	G	85.4	Confident	92.9	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	9.2	169.2	0	0	0	0	0	116.6
521	F	89.4	Confident	92.7	Very high	67 Å²	67	56.4 Å²	56.4	29%	0.294	32%	0.321	S	S	.	.			trans	-116.2	18.5	-175.8	-50.4	-59.5	0	0	0	114.7	G514 R516 S519 N523	G514-F521 VanDerWaalsContact CA-O 3.23Å; G514-F521 WeakPolarHBondContact CA-O 3.47Å; R516-F521 HydrophobicContact CG-CB 3.96Å; R516-F521 HydrophobicContact CG-CD2 3.72Å; R516-F521 HydrophobicContact CG-CE2 4.48Å; R516-F521 HydrophobicContact CG-CG 3.83Å; S519-F521 WeakPolarHBondContact O-CD2 3.44Å; S519-F521 WeakPolarHBondContact O-CE2 3.43Å; F521-N523 PolarHBondContact O-N 3.36Å; F521-N523 PolarHBondContact O-OD1 3.3Å
522	T	92.8	Very high	92.4	Very high	13 Å²	13	59.1 Å²	59.1	8%	0.08	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	115.7	175.7	-56.9	0	0	0	0	110.1	M409 S437 L512	M409-T522 HydrophobicContact CE-CG2 4.14Å; M409-T522 WeakPolarHBondContact SD-CB 3.48Å; M409-T522 HydrophobicContact SD-CG2 3.56Å; M409-T522 VanDerWaalsContact SD-CG2 3.56Å; S437-T522 PolarHBondContact OG-OG1 2.84Å; L512-T522 HydrophobicContact CB-CG2 4.38Å
523	N	93.6	Very high	92.1	Very high	59 Å²	59	62.1 Å²	62.1	32%	0.316	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	4.9	-176.1	72.3	-22.1	0	0	0	114.1	M412 T513 W515 F521	M412-N523 WeakPolarHBondContact CE-O 3.17Å; T513-N523 PolarHBondContact O-N 3.13Å; T513-N523 VanDerWaalsContact O-N 3.14Å; W515-N523 WeakPolarHBondContact CB-OD1 3.43Å; W515-N523 PolarHBondContact N-OD1 3.34Å; F521-N523 PolarHBondContact O-N 3.36Å; F521-N523 PolarHBondContact O-OD1 3.3Å
524	T	96	Very high	91.9	Very high	41 Å²	41	65.3 Å²	65.3	25%	0.252	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.3	-178	-60.8	0	0	0	0	109.5	L512 T513 R526	L512-T524 WeakPolarHBondContact CA-O 3.34Å; T513-T524 PolarHBondContact N-O 3.05Å; T513-T524 PolarHBondContact O-N 3.08Å; T524-R526 HydrophobicContact CG2-CG 4.35Å
525	M	97.6	Very high	91.9	Very high	74 Å²	74	68.3 Å²	68.3	37%	0.365	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.2	172.4	177.8	-175	72.6	0	0	109.3	M412 S416 A419 I510 V511 L512	M412-M525 HydrophobicContact CE-CB 3.42Å; M412-M525 VanDerWaalsContact CE-CB 3.42Å; S416-M525 WeakPolarHBondContact CA-SD 3.36Å; A419-M525 HydrophobicContact CB-CE 4.44Å; A419-M525 HydrophobicContact CB-SD 4.23Å; I510-M525 HydrophobicContact CG2-CG 3.73Å; I510-M525 HydrophobicContact CG2-SD 4.06Å; V511-M525 CarbonylContact O-C 3.5Å; V511-M525 WeakPolarHBondContact O-CA 3.4Å; L512-M525 HydrophobicContact CD2-CB 3.87Å; L512-M525 HydrophobicContact CD2-CG 4.24Å
526	R	98.1	Very high	92.3	Very high	121 Å²	121	63.3 Å²	63.3	46%	0.457	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.9	172.2	-57.9	177	-173	156.9	-0	109.6	I510 V511 T524 V528	I510-R526 CarbonylContact C-O 3.59Å; I510-R526 WeakPolarHBondContact CA-O 3.42Å; V511-R526 PolarHBondContact N-O 3.47Å; V511-R526 PolarHBondContact O-N 3.35Å; T524-R526 HydrophobicContact CG2-CG 4.35Å; R526-V528 HydrophobicContact CB-CG1 4.01Å
527	V	98.5	Very high	92.7	Very high	80 Å²	80	60.5 Å²	60.5	49%	0.485	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.9	170.3	-174.3	0	0	0	0	106.6	V508 I510	V508-V527 HydrophobicContact CG1-CG1 3.36Å; I510-V527 HydrophobicContact CD1-CB 4.37Å; I510-V527 HydrophobicContact CD1-CG1 4.1Å; I510-V527 HydrophobicContact CD1-CG2 3.76Å
528	V	98	Very high	93.2	Very high	43 Å²	43	59.3 Å²	59.3	26%	0.261	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.1	-171	-60.8	0	0	0	0	111.4	M494 V509 V511 R526	M494-V528 HydrophobicContact CE-CG2 3.91Å; V509-V528 HydrophobicContact CG2-CG2 3.83Å; V509-V528 PolarHBondContact N-O 3.4Å; V509-V528 PolarHBondContact O-N 2.92Å; V511-V528 HydrophobicContact CG2-CG2 3.72Å; R526-V528 HydrophobicContact CB-CG1 4.01Å
529	P	98	Very high	94.1	Very high	91 Å²	91	60.5 Å²	60.5	59%	0.591	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	146.7	167.5	31.3	-33.5	0	0	0	110.4	D507	D507-P529 CarbonylContact O-C 3.51Å; D507-P529 WeakPolarHBondContact O-CA 3.39Å
530	V	97.9	Very high	95	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.024	35%	0.352	C	S	.	.			trans	-68.5	128.8	172.1	176.4	0	0	0	0	109.3	M494 K498 F503 K504 G506 D507 V509	M494-V530 HydrophobicContact SD-CG1 4.38Å; M494-V530 HydrophobicContact SD-CG2 4.14Å; K498-V530 HydrophobicContact CD-CG1 4.06Å; K498-V530 HydrophobicContact CG-CG1 4.19Å; F503-V530 HydrophobicContact CD2-CB 4.33Å; F503-V530 HydrophobicContact CD2-CG1 3.83Å; F503-V530 HydrophobicContact CD2-CG2 3.58Å; F503-V530 HydrophobicContact CE2-CG1 3.89Å; F503-V530 HydrophobicContact CE2-CG2 3.85Å; F503-V530 HydrophobicContact CG-CG2 4.12Å; K504-V530 WeakPolarHBondContact O-CB 3.16Å; G506-V530 PolarHBondContact N-O 3.14Å; D507-V530 HydrophobicContact CB-CG2 4.42Å; D507-V530 WeakPolarHBondContact O-CG2 3.27Å; D507-V530 PolarHBondContact O-N 3.49Å; V509-V530 HydrophobicContact CG1-CG2 3.69Å; V509-V530 HydrophobicContact CG2-CG2 4.16Å
531	P	94.9	Very high	95.9	Very high	78 Å²	78	61 Å²	61	51%	0.506	33%	0.33	S	S	.	.			trans	-74.4	0	-175.6	31.3	-37	0	0	0	114.9	M494 K498 K505	M494-P531 HydrophobicContact CG-CG 4.48Å; K498-P531 PolarHBondContact NZ-O 3.03Å; K498-P531 VanDerWaalsContact NZ-O 3.11Å; K505-P531 VanDerWaalsContact CD-OXT 3.3Å; K505-P531 WeakPolarHBondContact CD-OXT 3.3Å; K505-P531 WeakPolarHBondContact CE-OXT 3.42Å; K505-P531 PolarHBondContact NZ-OXT 3.01Å

Retrieved 531 of 531 residues in 1757.9 ms (Link to these results)

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