A0A087XZJ9_POEFO Loading...

DNA polymerase alpha subunit B

Accessory subunit of the DNA polymerase alpha complex (also known as the alpha DNA polymerase-primase complex) which plays an essential role in the initiation of DNA synthesis.

AlphaFold DB , UniProt , Accession A0A087XZJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 606 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	67.4	Low	184 Å²	184	85.2 Å²	85.2	91%	0.906	49%	0.49	S	S	*	.				0	118.1	0	-144.9	168.2	169.8	0	0	105.7	L3 R37	M1-L3 PolarHBondContact O-N 3.09Å; M1-R37 HydrophobicContact CE-CB 3.83Å; M1-R37 HydrophobicContact CE-CG 3.65Å
2	A	41.2	Very low	68.3	Low	96 Å²	96	82.8 Å²	82.8	79%	0.793	47%	0.472	S	S	*	.			trans	-67.9	130.4	-177.7	0	0	0	0	0	108.8	V4	A2-V4 PolarHBondContact O-N 3.3Å
3	L	53.2	Low	69.3	Low	167 Å²	167	76.7 Å²	76.7	87%	0.874	44%	0.437	S	S	*	.			trans	-58.7	119.5	170.6	-78.3	148.4	0	0	0	107.3	M1 P5	M1-L3 PolarHBondContact O-N 3.09Å; L3-P5 WeakPolarHBondContact O-CD 3.41Å
4	V	63.7	Low	69.9	Low	33 Å²	33	81.1 Å²	81.1	20%	0.2	45%	0.452	C	S	.	.			trans	-72.1	107.1	172.1	176.9	0	0	0	0	106.6	A2 C33	A2-V4 PolarHBondContact O-N 3.3Å; V4-C33 HydrophobicContact CG2-CB 4.29Å
5	P	72.5	Confident	70.5	Confident	56 Å²	56	82.6 Å²	82.6	36%	0.364	46%	0.464	S	S	.	.			trans	-75.1	133.5	179.8	-7.3	26.3	0	0	0	108.5	L3 D7 N8	L3-P5 WeakPolarHBondContact O-CD 3.41Å; P5-D7 PolarHBondContact O-N 3.49Å; P5-D7 VanDerWaalsContact O-N 3.11Å; P5-N8 PolarHBondContact O-N 3.31Å
6	T	73.3	Confident	70.6	Confident	57 Å²	57	83.5 Å²	83.5	35%	0.35	46%	0.462	S	S	.	.	H	α-helix	trans	-54.8	-31.8	178	-33.1	0	0	0	0	111.8	N8 L9 K10 L26 V30	T6-N8 VanDerWaalsContact C-N 3.35Å; T6-N8 PolarHBondContact O-N 3.34Å; T6-L9 PolarHBondContact O-N 3.14Å; T6-K10 PolarHBondContact O-N 3.39Å; T6-K10 VanDerWaalsContact O-N 3.13Å; T6-L26 HydrophobicContact CG2-CB 3.94Å; T6-L26 HydrophobicContact CG2-CD1 4.48Å; T6-V30 HydrophobicContact CG2-CG2 4.37Å
7	D	75	Confident	70.4	Confident	126 Å²	126	82.3 Å²	82.3	67%	0.674	47%	0.473	S	S	*	.	H	α-helix	trans	-63.2	-34.6	176.9	-63.1	-34.7	0	0	0	113.5	P5 A11	P5-D7 PolarHBondContact O-N 3.49Å; P5-D7 VanDerWaalsContact O-N 3.11Å; D7-A11 PolarHBondContact O-N 2.94Å; D7-A11 VanDerWaalsContact O-N 3.09Å
8	N	78.9	Confident	70.7	Confident	86 Å²	86	79.8 Å²	79.8	46%	0.46	46%	0.457	S	S	.	.	H	α-helix	trans	-72.7	-40.7	179.5	-72	5	0	0	0	111.2	P5 T6 K10 A11 E12 T40	P5-N8 PolarHBondContact O-N 3.31Å; T6-N8 VanDerWaalsContact C-N 3.35Å; T6-N8 PolarHBondContact O-N 3.34Å; N8-K10 VanDerWaalsContact C-N 3.29Å; N8-K10 PolarHBondContact O-N 3.01Å; N8-A11 PolarHBondContact O-N 3.04Å; N8-E12 PolarHBondContact O-N 2.95Å; N8-T40 HydrophobicContact CB-CG2 4.37Å
9	L	79.3	Confident	70.5	Confident	0 Å²	0	82.4 Å²	82.4	0%	0	48%	0.475	C	S	.	.	H	α-helix	trans	-65.1	-37.3	177.6	-159.7	97.3	0	0	0	111	T6 E12 L13 L26 M29 T40 M43	T6-L9 PolarHBondContact O-N 3.14Å; L9-E12 PolarHBondContact O-N 3.31Å; L9-L13 HydrophobicContact CD2-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CD1 3.09Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.86Å; L9-L26 HydrophobicContact CD2-CD2 3.92Å; L9-M29 HydrophobicContact CD2-CB 3.46Å; L9-M29 VanDerWaalsContact CD2-CB 3.46Å; L9-M29 HydrophobicContact CD2-CE 4.07Å; L9-M29 HydrophobicContact CD2-CG 4.26Å; L9-M29 HydrophobicContact CD2-SD 3.86Å; L9-T40 HydrophobicContact CB-CG2 4.17Å; L9-T40 HydrophobicContact CD1-CG2 3.82Å; L9-T40 HydrophobicContact CG-CG2 4.41Å; L9-M43 HydrophobicContact CD1-CG 4.49Å
10	K	79.9	Confident	70.4	Confident	81 Å²	81	79.3 Å²	79.3	35%	0.352	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-40.1	175.1	-167.3	169.6	-172.8	162.5	0	112.5	T6 N8 Q14 L26	T6-K10 PolarHBondContact O-N 3.39Å; T6-K10 VanDerWaalsContact O-N 3.13Å; N8-K10 VanDerWaalsContact C-N 3.29Å; N8-K10 PolarHBondContact O-N 3.01Å; K10-Q14 WeakPolarHBondContact O-CG 3.12Å; K10-Q14 PolarHBondContact O-N 2.8Å; K10-L26 HydrophobicContact CD-CD1 4.27Å
11	A	78.8	Confident	70	Confident	51 Å²	51	84.4 Å²	84.4	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-65.9	-40.4	175.8	0	0	0	0	0	112.4	D7 N8 Q14 T15	D7-A11 PolarHBondContact O-N 2.94Å; D7-A11 VanDerWaalsContact O-N 3.09Å; N8-A11 PolarHBondContact O-N 3.04Å; A11-Q14 PolarHBondContact O-N 3.43Å; A11-T15 PolarHBondContact O-N 3.39Å; A11-T15 VanDerWaalsContact O-N 3.15Å; A11-T15 PolarHBondContact O-OG1 3.29Å
12	E	78.8	Confident	71.5	Confident	57 Å²	57	79.7 Å²	79.7	27%	0.266	46%	0.456	S	S	.	.	H	α-helix	trans	-66.9	-44.1	175.4	-79.5	-62.5	146.1	0	0	111.9	N8 L9 Q14 T15 F16 T40 M44	N8-E12 PolarHBondContact O-N 2.95Å; L9-E12 PolarHBondContact O-N 3.31Å; E12-Q14 VanDerWaalsContact C-N 3.27Å; E12-Q14 PolarHBondContact O-N 3.45Å; E12-T15 WeakPolarHBondContact O-CA 3.29Å; E12-T15 VanDerWaalsContact O-CB 3.3Å; E12-T15 WeakPolarHBondContact O-CB 3.47Å; E12-T15 PolarHBondContact O-N 3.43Å; E12-F16 VanDerWaalsContact O-CD2 3.26Å; E12-F16 WeakPolarHBondContact O-CD2 3.44Å; E12-F16 PolarHBondContact O-N 2.98Å; E12-F16 WeakPolarHBondContact OE2-CE2 3.45Å; E12-T40 HydrophobicContact CB-CG2 4.39Å; E12-T40 HydrophobicContact CG-CG2 4.01Å; E12-M44 HydrophobicContact CB-CG 4.01Å
13	L	80.6	Confident	73.2	Confident	3 Å²	3	80.1 Å²	80.1	2%	0.016	45%	0.445	C	S	.	.	H	α-helix	trans	-55.8	-41.1	175.1	-79	163.6	0	0	0	112.6	L9 T15 F16 G17 I18 C20 L26 M29 M44 L59	L9-L13 HydrophobicContact CD2-CD1 4.35Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CD1 3.09Å; L9-L13 VanDerWaalsContact O-CG 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.86Å; L13-T15 VanDerWaalsContact C-N 3.34Å; L13-F16 PolarHBondContact O-N 2.74Å; L13-G17 PolarHBondContact O-N 3.39Å; L13-I18 CarbonylContact C-O 3.56Å; L13-I18 HydrophobicContact CD2-CB 3.97Å; L13-I18 HydrophobicContact CD2-CD1 4.22Å; L13-I18 HydrophobicContact CD2-CG2 3.89Å; L13-I18 PolarHBondContact O-N 3.47Å; L13-C20 HydrophobicContact CD1-CB 4.24Å; L13-L26 HydrophobicContact CD1-CD2 3.5Å; L13-M29 HydrophobicContact CD1-SD 4.27Å; L13-M44 HydrophobicContact CD2-CE 3.55Å; L13-M44 HydrophobicContact CD2-SD 3.64Å; L13-M44 HydrophobicContact CG-CE 4Å; L13-M44 HydrophobicContact CG-SD 3.78Å; L13-L59 HydrophobicContact CD1-CD2 4.29Å; L13-L59 HydrophobicContact CD2-CD2 3.79Å
14	Q	78.6	Confident	74.4	Confident	138 Å²	138	74.3 Å²	74.3	65%	0.645	42%	0.419	S	S	*	.	H	α-helix	trans	-65.7	-35.3	175.1	-73.6	179.4	-2.2	0	0	112.7	K10 A11 E12 F16 G17	K10-Q14 WeakPolarHBondContact O-CG 3.12Å; K10-Q14 PolarHBondContact O-N 2.8Å; A11-Q14 PolarHBondContact O-N 3.43Å; E12-Q14 VanDerWaalsContact C-N 3.27Å; E12-Q14 PolarHBondContact O-N 3.45Å; Q14-F16 PolarHBondContact O-N 3.05Å; Q14-G17 PolarHBondContact O-N 3.06Å; Q14-G17 VanDerWaalsContact O-N 3.09Å
15	T	77.6	Confident	75.3	Confident	104 Å²	104	73 Å²	73	64%	0.638	41%	0.41	S	S	*	.	H	α-helix	trans	-63.1	-33.5	177	-58.1	0	0	0	0	111.6	A11 E12 L13	A11-T15 PolarHBondContact O-N 3.39Å; A11-T15 VanDerWaalsContact O-N 3.15Å; A11-T15 PolarHBondContact O-OG1 3.29Å; E12-T15 WeakPolarHBondContact O-CA 3.29Å; E12-T15 VanDerWaalsContact O-CB 3.3Å; E12-T15 WeakPolarHBondContact O-CB 3.47Å; E12-T15 PolarHBondContact O-N 3.43Å; L13-T15 VanDerWaalsContact C-N 3.34Å
16	F	72.2	Confident	75.8	Confident	97 Å²	97	70.4 Å²	70.4	43%	0.425	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	8.1	175.6	-67.3	-76.7	0	0	0	114.3	E12 L13 Q14 I18 M44 L48	E12-F16 VanDerWaalsContact O-CD2 3.26Å; E12-F16 WeakPolarHBondContact O-CD2 3.44Å; E12-F16 PolarHBondContact O-N 2.98Å; E12-F16 WeakPolarHBondContact OE2-CE2 3.45Å; L13-F16 PolarHBondContact O-N 2.74Å; Q14-F16 PolarHBondContact O-N 3.05Å; F16-I18 VanDerWaalsContact C-N 3.27Å; F16-I18 PolarHBondContact O-N 3.29Å; F16-M44 HydrophobicContact CB-CE 4.48Å; F16-M44 HydrophobicContact CD2-CE 3.82Å; F16-M44 HydrophobicContact CG-CE 4.44Å; F16-L48 HydrophobicContact CB-CD1 4.37Å; F16-L48 HydrophobicContact CD1-CD1 3.52Å; F16-L48 HydrophobicContact CD2-CD1 4.06Å; F16-L48 HydrophobicContact CE1-CD1 3.7Å; F16-L48 HydrophobicContact CE2-CD1 4.24Å; F16-L48 HydrophobicContact CG-CD1 3.71Å; F16-L48 HydrophobicContact CZ-CD1 4.07Å
17	G	67.4	Low	76.3	Confident	63 Å²	63	72.4 Å²	72.4	65%	0.649	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	17.9	177.4	0	0	0	0	0	114.6	L13 Q14	L13-G17 PolarHBondContact O-N 3.39Å; Q14-G17 PolarHBondContact O-N 3.06Å; Q14-G17 VanDerWaalsContact O-N 3.09Å
18	I	75.9	Confident	76.8	Confident	37 Å²	37	68 Å²	68	19%	0.19	38%	0.377	C	S	.	.			trans	-92.8	109	177.5	-57.7	175.7	0	0	0	108.4	L13 F16 C20 M44 L48 L59	L13-I18 CarbonylContact C-O 3.56Å; L13-I18 HydrophobicContact CD2-CB 3.97Å; L13-I18 HydrophobicContact CD2-CD1 4.22Å; L13-I18 HydrophobicContact CD2-CG2 3.89Å; L13-I18 PolarHBondContact O-N 3.47Å; F16-I18 VanDerWaalsContact C-N 3.27Å; F16-I18 PolarHBondContact O-N 3.29Å; I18-C20 PolarHBondContact O-N 3.08Å; I18-M44 HydrophobicContact CD1-CE 4.43Å; I18-L48 HydrophobicContact CD1-CD2 3.91Å; I18-L59 HydrophobicContact CG2-CB 4.09Å; I18-L59 HydrophobicContact CG2-CD2 4.03Å
19	T	66.8	Low	77	Confident	130 Å²	130	63.9 Å²	63.9	80%	0.798	36%	0.355	S	S	*	.			trans	-81.6	109.7	175.1	48	0	0	0	0	110.2
20	C	68.6	Low	77.3	Confident	20 Å²	20	64.9 Å²	64.9	14%	0.135	36%	0.361	C	S	.	.			trans	-112.2	108.6	172.9	-171.2	0	0	0	0	109.1	L13 I18 L59	L13-C20 HydrophobicContact CD1-CB 4.24Å; I18-C20 PolarHBondContact O-N 3.08Å; C20-L59 HydrophobicContact CB-CD2 4.08Å
21	E	62.2	Low	77.5	Confident	186 Å²	186	65 Å²	65	87%	0.869	36%	0.363	S	S	*	.			trans	-100	-7.2	177.6	-64.2	-168	166.4	0	0	112.9
22	D	77.6	Confident	77.8	Confident	85 Å²	85	62.7 Å²	62.7	46%	0.455	34%	0.343	S	S	.	.			trans	-99	110.3	-177.7	-168.3	-18.3	0	0	0	111	S24 V25	D22-S24 PolarHBondContact O-N 2.78Å; D22-S24 WeakPolarHBondContact OD1-CB 3.1Å; D22-S24 PolarHBondContact OD1-N 3.04Å; D22-S24 PolarHBondContact OD1-OG 2.68Å; D22-S24 PolarHBondContact OD2-OG 2.97Å; D22-V25 HydrophobicContact CB-CB 4.47Å; D22-V25 HydrophobicContact CB-CG2 3.95Å; D22-V25 WeakPolarHBondContact O-CB 3.35Å; D22-V25 PolarHBondContact O-N 2.69Å; D22-V25 VanDerWaalsContact O-N 3.16Å
23	D	75.8	Confident	78.1	Confident	105 Å²	105	60 Å²	60	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-61.3	-25.3	179.9	-69.4	-26.6	0	0	0	112.3	V25 L26 D27	D23-V25 VanDerWaalsContact C-N 3.33Å; D23-V25 PolarHBondContact O-N 2.95Å; D23-L26 PolarHBondContact O-N 3Å; D23-D27 PolarHBondContact O-N 2.86Å
24	S	79	Confident	78.1	Confident	46 Å²	46	65 Å²	65	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-69.4	-30.2	178.1	69.6	0	0	0	0	113.3	D22 K28 L61	D22-S24 PolarHBondContact O-N 2.78Å; D22-S24 WeakPolarHBondContact OD1-CB 3.1Å; D22-S24 PolarHBondContact OD1-N 3.04Å; D22-S24 PolarHBondContact OD1-OG 2.68Å; D22-S24 PolarHBondContact OD2-OG 2.97Å; S24-K28 PolarHBondContact O-N 3.01Å; S24-K28 VanDerWaalsContact O-N 3.11Å; S24-L61 WeakPolarHBondContact OG-CD1 3.5Å
25	V	82.9	Confident	78.3	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.03	35%	0.351	C	S	.	.	H	α-helix	trans	-70.7	-41.3	174.8	174.4	0	0	0	0	110.1	D22 D23 K28 M29 L59 L61 L64	D22-V25 HydrophobicContact CB-CB 4.47Å; D22-V25 HydrophobicContact CB-CG2 3.95Å; D22-V25 WeakPolarHBondContact O-CB 3.35Å; D22-V25 PolarHBondContact O-N 2.69Å; D22-V25 VanDerWaalsContact O-N 3.16Å; D23-V25 VanDerWaalsContact C-N 3.33Å; D23-V25 PolarHBondContact O-N 2.95Å; V25-K28 PolarHBondContact O-N 2.88Å; V25-M29 WeakPolarHBondContact O-CG 3.37Å; V25-M29 PolarHBondContact O-N 3.32Å; V25-L59 HydrophobicContact CG1-CD1 4.2Å; V25-L59 HydrophobicContact CG1-CD2 3.8Å; V25-L59 HydrophobicContact CG1-CG 3.63Å; V25-L61 HydrophobicContact CG2-CG 3.99Å; V25-L64 HydrophobicContact CG1-CD1 3.7Å
26	L	82.7	Confident	78.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-44.3	175.8	-69.3	171.7	0	0	0	111.3	T6 L9 K10 L13 D23 K28 M29 V30	T6-L26 HydrophobicContact CG2-CB 3.94Å; T6-L26 HydrophobicContact CG2-CD1 4.48Å; L9-L26 HydrophobicContact CD2-CD2 3.92Å; K10-L26 HydrophobicContact CD-CD1 4.27Å; L13-L26 HydrophobicContact CD1-CD2 3.5Å; D23-L26 PolarHBondContact O-N 3Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.85Å; L26-M29 PolarHBondContact O-N 3Å; L26-M29 VanDerWaalsContact O-N 3.16Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 2.86Å
27	D	83.6	Confident	78.8	Confident	99 Å²	99	63 Å²	63	53%	0.529	34%	0.341	S	S	.	.	H	α-helix	trans	-59.6	-42.1	176.5	-75.4	-19.1	0	0	0	111.5	D23 M29 V30 E31	D23-D27 PolarHBondContact O-N 2.86Å; D27-M29 PolarHBondContact O-N 3.38Å; D27-V30 PolarHBondContact O-N 2.88Å; D27-E31 PolarHBondContact O-N 3.36Å
28	K	85.4	Confident	79.6	Confident	32 Å²	32	61.3 Å²	61.3	14%	0.139	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-37.8	176.2	-172.9	59.2	178.9	174.7	0	112.2	S24 V25 L26 E31 L32 L61 L64 E68	S24-K28 PolarHBondContact O-N 3.01Å; S24-K28 VanDerWaalsContact O-N 3.11Å; V25-K28 PolarHBondContact O-N 2.88Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 2.85Å; K28-E31 WeakPolarHBondContact CD-OE2 3.33Å; K28-E31 IonicContact NZ-OE1 3.84Å; K28-E31 IonicContact NZ-OE2 3.41Å; K28-E31 PolarHBondContact NZ-OE2 3.32Å; K28-E31 WeakPolarHBondContact O-CB 3.32Å; K28-E31 PolarHBondContact O-N 3Å; K28-L32 VanDerWaalsContact O-CG 3.32Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 3.31Å; K28-L61 HydrophobicContact CB-CD2 3.83Å; K28-L61 HydrophobicContact CG-CD2 4.13Å; K28-L64 HydrophobicContact CB-CD1 4.27Å; K28-L64 HydrophobicContact CG-CB 4.27Å; K28-L64 HydrophobicContact CG-CD1 4.27Å; K28-E68 IonicContact NZ-OE2 3.19Å; K28-E68 PolarHBondContact NZ-OE2 3.47Å; K28-E68 VanDerWaalsContact NZ-OE2 3.15Å
29	M	83.7	Confident	80	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-38.1	175.3	-70.7	-175.8	76.3	0	0	112.4	L9 L13 V25 L26 D27 L32 C33 M43 M44 L59 L64	L9-M29 HydrophobicContact CD2-CB 3.46Å; L9-M29 VanDerWaalsContact CD2-CB 3.46Å; L9-M29 HydrophobicContact CD2-CE 4.07Å; L9-M29 HydrophobicContact CD2-CG 4.26Å; L9-M29 HydrophobicContact CD2-SD 3.86Å; L13-M29 HydrophobicContact CD1-SD 4.27Å; V25-M29 WeakPolarHBondContact O-CG 3.37Å; V25-M29 PolarHBondContact O-N 3.32Å; L26-M29 PolarHBondContact O-N 3Å; L26-M29 VanDerWaalsContact O-N 3.16Å; D27-M29 PolarHBondContact O-N 3.38Å; M29-L32 PolarHBondContact O-N 2.8Å; M29-C33 PolarHBondContact O-N 3.23Å; M29-C33 PolarHBondContact O-SG 2.97Å; M29-M43 HydrophobicContact CB-CE 4.05Å; M29-M43 HydrophobicContact CE-CE 4.13Å; M29-M43 HydrophobicContact CE-CG 4.18Å; M29-M43 HydrophobicContact CG-CE 4.07Å; M29-M44 HydrophobicContact CE-SD 3.9Å; M29-L59 HydrophobicContact SD-CD1 3.83Å; M29-L59 HydrophobicContact SD-CD2 3.97Å; M29-L59 HydrophobicContact SD-CG 4.49Å; M29-L64 HydrophobicContact CG-CD1 3.7Å; M29-L64 HydrophobicContact CG-CD2 3.88Å; M29-L64 HydrophobicContact CG-CG 4.48Å
30	V	85.6	Confident	80.6	Confident	21 Å²	21	57.5 Å²	57.5	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-43	173.7	173.6	0	0	0	0	110.6	T6 L26 D27 L32 C33 I34	T6-V30 HydrophobicContact CG2-CG2 4.37Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 2.86Å; D27-V30 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact C-N 3.31Å; V30-L32 PolarHBondContact O-N 2.87Å; V30-C33 WeakPolarHBondContact O-CB 3.33Å; V30-C33 PolarHBondContact O-N 3.47Å; V30-I34 HydrophobicContact CG1-CD1 3.95Å; V30-I34 WeakPolarHBondContact O-CG1 3.39Å; V30-I34 PolarHBondContact O-N 3.32Å
31	E	84.9	Confident	81.2	Confident	85 Å²	85	60.9 Å²	60.9	40%	0.397	31%	0.309	S	S	.	.	H	α-helix	trans	-54.9	-47.4	172.8	-169	-160.5	159.6	0	0	110.9	D27 K28 C33 I34 C35	D27-E31 PolarHBondContact O-N 3.36Å; K28-E31 WeakPolarHBondContact CD-OE2 3.33Å; K28-E31 IonicContact NZ-OE1 3.84Å; K28-E31 IonicContact NZ-OE2 3.41Å; K28-E31 PolarHBondContact NZ-OE2 3.32Å; K28-E31 WeakPolarHBondContact O-CB 3.32Å; K28-E31 PolarHBondContact O-N 3Å; E31-C33 PolarHBondContact O-N 2.95Å; E31-I34 PolarHBondContact O-N 3.2Å; E31-C35 WeakPolarHBondContact O-CB 3.34Å; E31-C35 PolarHBondContact O-N 3.47Å; E31-C35 PolarHBondContact O-SG 2.98Å; E31-C35 VanDerWaalsContact O-SG 3.39Å
32	L	84.1	Confident	82.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-36.7	178.7	-70.6	175	0	0	0	112.9	K28 M29 V30 N36 M43 L64 F67 E68	K28-L32 VanDerWaalsContact O-CG 3.32Å; K28-L32 WeakPolarHBondContact O-CG 3.27Å; K28-L32 PolarHBondContact O-N 3.31Å; M29-L32 PolarHBondContact O-N 2.8Å; V30-L32 VanDerWaalsContact C-N 3.31Å; V30-L32 PolarHBondContact O-N 2.87Å; L32-N36 WeakPolarHBondContact O-CB 3.42Å; L32-N36 PolarHBondContact O-N 3.23Å; L32-N36 PolarHBondContact O-ND2 3.13Å; L32-M43 HydrophobicContact CB-CE 3.6Å; L32-M43 HydrophobicContact CB-SD 4.22Å; L32-M43 HydrophobicContact CD1-CE 3.76Å; L32-M43 HydrophobicContact CG-CE 4.33Å; L32-L64 HydrophobicContact CD1-CD2 4.26Å; L32-F67 HydrophobicContact CD1-CD1 4.22Å; L32-E68 HydrophobicContact CD2-CB 3.65Å; L32-E68 HydrophobicContact CD2-CG 3.42Å; L32-E68 VanDerWaalsContact CD2-CG 3.42Å
33	C	84.4	Confident	82.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-46.5	173.3	-66.2	0	0	0	0	111.3	V4 M29 V30 E31 R37 L38 M43	V4-C33 HydrophobicContact CG2-CB 4.29Å; M29-C33 PolarHBondContact O-N 3.23Å; M29-C33 PolarHBondContact O-SG 2.97Å; V30-C33 WeakPolarHBondContact O-CB 3.33Å; V30-C33 PolarHBondContact O-N 3.47Å; E31-C33 PolarHBondContact O-N 2.95Å; C33-R37 WeakPolarHBondContact O-CA 3.3Å; C33-R37 PolarHBondContact O-N 3.14Å; C33-L38 PolarHBondContact O-N 3.12Å; C33-M43 VanDerWaalsContact SG-CB 3.52Å; C33-M43 WeakPolarHBondContact SG-CG 3.46Å
34	I	81.7	Confident	83	Confident	108 Å²	108	47.2 Å²	47.2	55%	0.554	24%	0.239	S	C	*	.	H	α-helix	trans	-65.9	-51.5	-179.3	-65.1	167.2	0	0	0	110.4	V30 E31 N36 R37	V30-I34 HydrophobicContact CG1-CD1 3.95Å; V30-I34 WeakPolarHBondContact O-CG1 3.39Å; V30-I34 PolarHBondContact O-N 3.32Å; E31-I34 PolarHBondContact O-N 3.2Å; I34-N36 PolarHBondContact O-N 3.46Å; I34-R37 PolarHBondContact O-N 2.82Å
35	C	81.9	Confident	83.2	Confident	77 Å²	77	50.3 Å²	50.3	52%	0.52	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-33.3	-178.9	-74.6	0	0	0	0	112.2	E31	E31-C35 WeakPolarHBondContact O-CB 3.34Å; E31-C35 PolarHBondContact O-N 3.47Å; E31-C35 PolarHBondContact O-SG 2.98Å; E31-C35 VanDerWaalsContact O-SG 3.39Å
36	N	79.2	Confident	83.4	Confident	16 Å²	16	53.2 Å²	53.2	9%	0.086	27%	0.265	C	S	.	.	H	α-helix	trans	-100.6	-2.9	-177.1	-68.8	-69.1	0	0	0	115.5	L32 I34 L38 K75	L32-N36 WeakPolarHBondContact O-CB 3.42Å; L32-N36 PolarHBondContact O-N 3.23Å; L32-N36 PolarHBondContact O-ND2 3.13Å; I34-N36 PolarHBondContact O-N 3.46Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 HydrophobicContact CB-CD1 3.92Å; N36-L38 HydrophobicContact CB-CG 3.85Å; N36-K75 VanDerWaalsContact CA-NZ 3.27Å; N36-K75 VanDerWaalsContact CB-NZ 3.35Å; N36-K75 PolarHBondContact O-NZ 2.9Å; N36-K75 PolarHBondContact OD1-NZ 3.01Å
37	R	81.8	Confident	83.5	Confident	204 Å²	204	53.1 Å²	53.1	77%	0.77	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	39.2	-173.1	-49.7	-167.8	175.2	-175.5	-1.1	113.2	M1 C33 I34	M1-R37 HydrophobicContact CE-CB 3.83Å; M1-R37 HydrophobicContact CE-CG 3.65Å; C33-R37 WeakPolarHBondContact O-CA 3.3Å; C33-R37 PolarHBondContact O-N 3.14Å; I34-R37 PolarHBondContact O-N 2.82Å
38	L	82.9	Confident	83.6	Confident	28 Å²	28	50.4 Å²	50.4	15%	0.147	25%	0.25	C	C	.	.			trans	-94	145	176.9	-59.2	173.5	0	0	0	109.9	C33 N36 Q42 M43 L71	C33-L38 PolarHBondContact O-N 3.12Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 HydrophobicContact CB-CD1 3.92Å; N36-L38 HydrophobicContact CB-CG 3.85Å; L38-Q42 HydrophobicContact CB-CB 4.41Å; L38-Q42 HydrophobicContact CD2-CB 4.32Å; L38-M43 HydrophobicContact CB-CB 4.49Å; L38-M43 HydrophobicContact CD1-SD 4.11Å; L38-L71 HydrophobicContact CD1-CD2 4.41Å
39	D	84.8	Confident	83.5	Confident	71 Å²	71	51.2 Å²	51.2	38%	0.38	26%	0.262	S	S	.	.			trans	-81.2	170.3	164.7	62.1	32.2	0	0	0	110.8	D41 Q42 M43	D39-D41 VanDerWaalsContact C-N 3.28Å; D39-D41 PolarHBondContact O-N 3.19Å; D39-D41 PolarHBondContact OD1-N 3.5Å; D39-Q42 PolarHBondContact O-N 2.94Å; D39-Q42 WeakPolarHBondContact OD1-CB 3.35Å; D39-Q42 WeakPolarHBondContact OD1-CG 3.29Å; D39-Q42 PolarHBondContact OD1-N 3Å; D39-Q42 PolarHBondContact OD2-NE2 2.95Å; D39-M43 WeakPolarHBondContact O-CB 3.38Å; D39-M43 PolarHBondContact O-N 3.43Å
40	T	80.6	Confident	83.6	Confident	16 Å²	16	52.1 Å²	52.1	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-42.4	-177.2	-52.1	0	0	0	0	111.7	N8 L9 E12 M44	N8-T40 HydrophobicContact CB-CG2 4.37Å; L9-T40 HydrophobicContact CB-CG2 4.17Å; L9-T40 HydrophobicContact CD1-CG2 3.82Å; L9-T40 HydrophobicContact CG-CG2 4.41Å; E12-T40 HydrophobicContact CB-CG2 4.39Å; E12-T40 HydrophobicContact CG-CG2 4.01Å; T40-M44 WeakPolarHBondContact O-CG 3.23Å; T40-M44 PolarHBondContact O-N 3.48Å; T40-M44 VanDerWaalsContact O-N 3.13Å
41	D	80.7	Confident	83.6	Confident	91 Å²	91	51.9 Å²	51.9	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-72	-42.5	-175.6	-56.8	-13.3	0	0	0	111.3	D39 M44 L45	D39-D41 VanDerWaalsContact C-N 3.28Å; D39-D41 PolarHBondContact O-N 3.19Å; D39-D41 PolarHBondContact OD1-N 3.5Å; D41-M44 PolarHBondContact O-N 2.6Å; D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CG 3.48Å; D41-L45 PolarHBondContact O-N 2.97Å
42	Q	83.6	Confident	83.5	Confident	88 Å²	88	52.9 Å²	52.9	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-64.7	-40.9	176.2	-72.9	168.4	27.4	0	0	111.8	L38 D39 M44 L45 E46	L38-Q42 HydrophobicContact CB-CB 4.41Å; L38-Q42 HydrophobicContact CD2-CB 4.32Å; D39-Q42 PolarHBondContact O-N 2.94Å; D39-Q42 WeakPolarHBondContact OD1-CB 3.35Å; D39-Q42 WeakPolarHBondContact OD1-CG 3.29Å; D39-Q42 PolarHBondContact OD1-N 3Å; D39-Q42 PolarHBondContact OD2-NE2 2.95Å; Q42-M44 VanDerWaalsContact C-N 3.31Å; Q42-M44 PolarHBondContact O-N 3.18Å; Q42-L45 PolarHBondContact O-N 2.63Å; Q42-E46 WeakPolarHBondContact O-CB 3.39Å; Q42-E46 WeakPolarHBondContact O-CG 3.25Å; Q42-E46 PolarHBondContact O-N 3.28Å
43	M	84.8	Confident	83.5	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.5	-44.4	176.1	-179.2	65.9	179.3	0	0	111	L9 M29 L32 C33 L38 D39 W47 F67	L9-M43 HydrophobicContact CD1-CG 4.49Å; M29-M43 HydrophobicContact CB-CE 4.05Å; M29-M43 HydrophobicContact CE-CE 4.13Å; M29-M43 HydrophobicContact CE-CG 4.18Å; M29-M43 HydrophobicContact CG-CE 4.07Å; L32-M43 HydrophobicContact CB-CE 3.6Å; L32-M43 HydrophobicContact CB-SD 4.22Å; L32-M43 HydrophobicContact CD1-CE 3.76Å; L32-M43 HydrophobicContact CG-CE 4.33Å; C33-M43 VanDerWaalsContact SG-CB 3.52Å; C33-M43 WeakPolarHBondContact SG-CG 3.46Å; L38-M43 HydrophobicContact CB-CB 4.49Å; L38-M43 HydrophobicContact CD1-SD 4.11Å; D39-M43 WeakPolarHBondContact O-CB 3.38Å; D39-M43 PolarHBondContact O-N 3.43Å; M43-W47 WeakPolarHBondContact O-CB 3.29Å; M43-W47 PolarHBondContact O-N 2.74Å; M43-F67 HydrophobicContact CE-CD1 4.42Å; M43-F67 HydrophobicContact CE-CE1 3.79Å; M43-F67 HydrophobicContact SD-CE1 4.08Å
44	M	84.9	Confident	83.3	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-43.9	178	-76.9	-56.9	-59.2	0	0	112.6	E12 L13 F16 I18 M29 T40 D41 Q42 W47 L48	E12-M44 HydrophobicContact CB-CG 4.01Å; L13-M44 HydrophobicContact CD2-CE 3.55Å; L13-M44 HydrophobicContact CD2-SD 3.64Å; L13-M44 HydrophobicContact CG-CE 4Å; L13-M44 HydrophobicContact CG-SD 3.78Å; F16-M44 HydrophobicContact CB-CE 4.48Å; F16-M44 HydrophobicContact CD2-CE 3.82Å; F16-M44 HydrophobicContact CG-CE 4.44Å; I18-M44 HydrophobicContact CD1-CE 4.43Å; M29-M44 HydrophobicContact CE-SD 3.9Å; T40-M44 WeakPolarHBondContact O-CG 3.23Å; T40-M44 PolarHBondContact O-N 3.48Å; T40-M44 VanDerWaalsContact O-N 3.13Å; D41-M44 PolarHBondContact O-N 2.6Å; Q42-M44 VanDerWaalsContact C-N 3.31Å; Q42-M44 PolarHBondContact O-N 3.18Å; M44-W47 PolarHBondContact O-N 2.66Å; M44-L48 WeakPolarHBondContact O-CB 3.2Å; M44-L48 VanDerWaalsContact O-CG 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.16Å; M44-L48 PolarHBondContact O-N 2.7Å
45	L	83.7	Confident	83.1	Confident	111 Å²	111	64.9 Å²	64.9	58%	0.581	34%	0.341	S	S	*	.	H	α-helix	trans	-62.1	-44.4	176.7	-77	164	0	0	0	112.4	D41 Q42 L48 A49	D41-L45 WeakPolarHBondContact O-CB 3.43Å; D41-L45 WeakPolarHBondContact O-CG 3.48Å; D41-L45 PolarHBondContact O-N 2.97Å; Q42-L45 PolarHBondContact O-N 2.63Å; L45-L48 PolarHBondContact O-N 3.16Å; L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.33Å; L45-A49 PolarHBondContact O-N 3.33Å
46	E	86	Confident	82.6	Confident	65 Å²	65	63.5 Å²	63.5	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-39.6	178.2	-73.7	-73.1	171.8	0	0	111.7	Q42 A49 Y50 F67 K74	Q42-E46 WeakPolarHBondContact O-CB 3.39Å; Q42-E46 WeakPolarHBondContact O-CG 3.25Å; Q42-E46 PolarHBondContact O-N 3.28Å; E46-A49 PolarHBondContact O-N 2.93Å; E46-Y50 WeakPolarHBondContact O-CB 3.34Å; E46-Y50 PolarHBondContact O-N 3.26Å; E46-F67 HydrophobicContact CB-CE2 4.3Å; E46-F67 HydrophobicContact CB-CZ 3.84Å; E46-F67 WeakPolarHBondContact O-CE2 3.35Å; E46-K74 IonicContact OE2-NZ 2.76Å; E46-K74 PolarHBondContact OE2-NZ 3.29Å
47	W	85.6	Confident	82.7	Confident	1 Å²	1	65.2 Å²	65.2	0%	0.004	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-46.6	174.7	171.6	-105.5	0	0	0	111.9	M43 M44 A49 Y50 S51 L59 N63 L64 F67	M43-W47 WeakPolarHBondContact O-CB 3.29Å; M43-W47 PolarHBondContact O-N 2.74Å; M44-W47 PolarHBondContact O-N 2.66Å; W47-A49 VanDerWaalsContact C-N 3.34Å; W47-A49 PolarHBondContact O-N 3.25Å; W47-Y50 HydrophobicContact CE3-CD1 4.1Å; W47-Y50 AromaticContact CZ3-CD1 3.85Å; W47-Y50 HydrophobicContact CZ3-CD1 3.85Å; W47-Y50 HydrophobicContact CZ3-CE1 4.12Å; W47-Y50 PolarHBondContact O-N 3.13Å; W47-S51 WeakPolarHBondContact O-CB 3.19Å; W47-S51 PolarHBondContact O-N 3.05Å; W47-L59 HydrophobicContact CD2-CD1 3.94Å; W47-L59 HydrophobicContact CE3-CD1 4.47Å; W47-L59 HydrophobicContact CH2-CD1 4.01Å; W47-L59 HydrophobicContact CZ2-CB 3.97Å; W47-L59 HydrophobicContact CZ2-CD1 3.45Å; W47-L59 VanDerWaalsContact CZ2-CD1 3.45Å; W47-L59 HydrophobicContact CZ2-CG 4.31Å; W47-L59 HydrophobicContact CZ3-CD1 4.48Å; W47-N63 HydrophobicContact CH2-CB 3.94Å; W47-L64 HydrophobicContact CD2-CD2 4.39Å; W47-L64 HydrophobicContact CE3-CD2 3.75Å; W47-L64 HydrophobicContact CH2-CD2 4.38Å; W47-L64 HydrophobicContact CZ3-CD2 3.73Å; W47-L64 HydrophobicContact CZ3-CG 4.28Å; W47-F67 HydrophobicContact CB-CE1 4.38Å; W47-F67 HydrophobicContact CB-CZ 4.26Å; W47-F67 HydrophobicContact CE3-CB 4.12Å; W47-F67 AromaticContact CE3-CD1 3.82Å; W47-F67 HydrophobicContact CE3-CD1 3.82Å; W47-F67 HydrophobicContact CE3-CD2 4.26Å; W47-F67 HydrophobicContact CE3-CE1 4.24Å; W47-F67 AromaticContact CE3-CG 3.82Å; W47-F67 HydrophobicContact CE3-CG 3.82Å; W47-F67 HydrophobicContact CZ3-CB 3.87Å; W47-F67 HydrophobicContact CZ3-CD1 4.36Å; W47-F67 HydrophobicContact CZ3-CG 4.1Å
48	L	85.1	Confident	82.7	Confident	42 Å²	42	63 Å²	63	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-41.8	177.9	-75.3	167.3	0	0	0	111.7	F16 I18 M44 L45 Y50 T52	F16-L48 HydrophobicContact CB-CD1 4.37Å; F16-L48 HydrophobicContact CD1-CD1 3.52Å; F16-L48 HydrophobicContact CD2-CD1 4.06Å; F16-L48 HydrophobicContact CE1-CD1 3.7Å; F16-L48 HydrophobicContact CE2-CD1 4.24Å; F16-L48 HydrophobicContact CG-CD1 3.71Å; F16-L48 HydrophobicContact CZ-CD1 4.07Å; I18-L48 HydrophobicContact CD1-CD2 3.91Å; M44-L48 WeakPolarHBondContact O-CB 3.2Å; M44-L48 VanDerWaalsContact O-CG 3.25Å; M44-L48 WeakPolarHBondContact O-CG 3.16Å; M44-L48 PolarHBondContact O-N 2.7Å; L45-L48 PolarHBondContact O-N 3.16Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; L48-T52 WeakPolarHBondContact O-CB 3.38Å; L48-T52 PolarHBondContact O-N 2.97Å; L48-T52 PolarHBondContact O-OG1 2.93Å
49	A	84.6	Confident	82.7	Confident	48 Å²	48	62.9 Å²	62.9	40%	0.397	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-46.5	174.3	0	0	0	0	0	110.9	L45 E46 W47 T52 T53	L45-A49 VanDerWaalsContact O-CB 3.29Å; L45-A49 WeakPolarHBondContact O-CB 3.33Å; L45-A49 PolarHBondContact O-N 3.33Å; E46-A49 PolarHBondContact O-N 2.93Å; W47-A49 VanDerWaalsContact C-N 3.34Å; W47-A49 PolarHBondContact O-N 3.25Å; A49-T52 PolarHBondContact O-N 3.1Å; A49-T53 VanDerWaalsContact O-CG2 3.27Å; A49-T53 WeakPolarHBondContact O-CG2 3.46Å; A49-T53 PolarHBondContact O-N 2.7Å; A49-T53 PolarHBondContact O-OG1 3.37Å
50	Y	85.9	Confident	82.6	Confident	19 Å²	19	62 Å²	62	8%	0.075	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-51.4	177.5	175.9	-103.7	0	0	0	112.3	E46 W47 L48 T52 T53 K54 L57 H66 F67 E70	E46-Y50 WeakPolarHBondContact O-CB 3.34Å; E46-Y50 PolarHBondContact O-N 3.26Å; W47-Y50 HydrophobicContact CE3-CD1 4.1Å; W47-Y50 AromaticContact CZ3-CD1 3.85Å; W47-Y50 HydrophobicContact CZ3-CD1 3.85Å; W47-Y50 HydrophobicContact CZ3-CE1 4.12Å; W47-Y50 PolarHBondContact O-N 3.13Å; L48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-T52 VanDerWaalsContact C-N 3.29Å; Y50-T52 PolarHBondContact O-N 3.2Å; Y50-T53 PolarHBondContact O-N 2.57Å; Y50-T53 VanDerWaalsContact O-N 3.12Å; Y50-T53 PolarHBondContact O-OG1 2.84Å; Y50-K54 HydrophobicContact CD2-CG 4.44Å; Y50-K54 HydrophobicContact CE2-CG 4.11Å; Y50-K54 WeakPolarHBondContact O-CG 3.41Å; Y50-K54 PolarHBondContact O-N 3.33Å; Y50-L57 HydrophobicContact CE1-CD1 3.94Å; Y50-H66 WeakPolarHBondContact OH-CB 3.4Å; Y50-F67 HydrophobicContact CD1-CB 3.89Å; Y50-F67 AromaticContact CD1-CD2 3.62Å; Y50-F67 HydrophobicContact CD1-CD2 3.62Å; Y50-F67 HydrophobicContact CD1-CG 4.08Å; Y50-F67 AromaticContact CD2-CD2 3.9Å; Y50-F67 HydrophobicContact CD2-CD2 3.9Å; Y50-F67 HydrophobicContact CE1-CB 3.77Å; Y50-F67 HydrophobicContact CE1-CD2 4.28Å; Y50-F67 HydrophobicContact CE1-CG 4.45Å; Y50-F67 HydrophobicContact CG-CB 4.42Å; Y50-F67 AromaticContact CG-CD2 3.4Å; Y50-F67 HydrophobicContact CG-CD2 3.4Å; Y50-F67 HydrophobicContact CG-CE2 4.04Å; Y50-F67 HydrophobicContact CG-CG 4.3Å; Y50-E70 HydrophobicContact CD2-CB 4.5Å; Y50-E70 HydrophobicContact CE2-CB 4.25Å; Y50-E70 WeakPolarHBondContact CE2-OE2 3.46Å
51	S	85.1	Confident	82.7	Confident	16 Å²	16	64.1 Å²	64.1	11%	0.112	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-43.3	178.1	174.5	0	0	0	0	111.3	W47 T53 K54 G56 L57	W47-S51 WeakPolarHBondContact O-CB 3.19Å; W47-S51 PolarHBondContact O-N 3.05Å; S51-T53 PolarHBondContact O-N 3.09Å; S51-K54 CarbonylContact O-C 3.55Å; S51-K54 PolarHBondContact O-N 2.75Å; S51-G56 WeakPolarHBondContact O-CA 3.26Å; S51-G56 PolarHBondContact O-N 2.89Å; S51-L57 PolarHBondContact O-N 2.92Å; S51-L57 PolarHBondContact OG-N 2.96Å; S51-L57 VanDerWaalsContact OG-N 3.13Å; S51-L57 PolarHBondContact OG-O 3.17Å
52	T	83.3	Confident	82.8	Confident	106 Å²	106	65 Å²	65	65%	0.65	36%	0.359	S	S	*	.	H	α-helix	trans	-65.5	-38.8	178.1	-52.7	0	0	0	0	112.3	L48 A49 Y50 K54	L48-T52 WeakPolarHBondContact O-CB 3.38Å; L48-T52 PolarHBondContact O-N 2.97Å; L48-T52 PolarHBondContact O-OG1 2.93Å; A49-T52 PolarHBondContact O-N 3.1Å; Y50-T52 VanDerWaalsContact C-N 3.29Å; Y50-T52 PolarHBondContact O-N 3.2Å; T52-K54 PolarHBondContact O-N 2.86Å
53	T	83.6	Confident	82.9	Confident	96 Å²	96	62.3 Å²	62.3	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-70.7	-11.6	178.2	58.9	0	0	0	0	114.3	A49 Y50 S51	A49-T53 VanDerWaalsContact O-CG2 3.27Å; A49-T53 WeakPolarHBondContact O-CG2 3.46Å; A49-T53 PolarHBondContact O-N 2.7Å; A49-T53 PolarHBondContact O-OG1 3.37Å; Y50-T53 PolarHBondContact O-N 2.57Å; Y50-T53 VanDerWaalsContact O-N 3.12Å; Y50-T53 PolarHBondContact O-OG1 2.84Å; S51-T53 PolarHBondContact O-N 3.09Å
54	K	80.5	Confident	83	Confident	100 Å²	100	62.3 Å²	62.3	44%	0.435	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	30.9	-177.5	-60	-65.4	-176.4	176.9	0	112.3	Y50 S51 T52 L57	Y50-K54 HydrophobicContact CD2-CG 4.44Å; Y50-K54 HydrophobicContact CE2-CG 4.11Å; Y50-K54 WeakPolarHBondContact O-CG 3.41Å; Y50-K54 PolarHBondContact O-N 3.33Å; S51-K54 CarbonylContact O-C 3.55Å; S51-K54 PolarHBondContact O-N 2.75Å; T52-K54 PolarHBondContact O-N 2.86Å; K54-L57 HydrophobicContact CB-CD1 3.45Å; K54-L57 VanDerWaalsContact CB-CD1 3.45Å; K54-L57 HydrophobicContact CB-CG 3.76Å; K54-L57 HydrophobicContact CG-CD1 4Å
55	D	76.9	Confident	82.9	Confident	166 Å²	166	67 Å²	67	89%	0.888	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	36.9	178.6	-64.8	-31.8	0	0	0	114.9
56	G	72.2	Confident	83	Confident	49 Å²	49	66.9 Å²	66.9	51%	0.505	37%	0.366	S	S	.	.	S	Bend	trans	78.9	52.4	170.5	0	0	0	0	0	113.7	S51	S51-G56 WeakPolarHBondContact O-CA 3.26Å; S51-G56 PolarHBondContact O-N 2.89Å
57	L	81.4	Confident	83	Confident	52 Å²	52	64 Å²	64	27%	0.272	35%	0.352	S	S	.	.			trans	-61.4	134.8	177.3	-70.9	174.2	0	0	0	112.2	Y50 S51 K54	Y50-L57 HydrophobicContact CE1-CD1 3.94Å; S51-L57 PolarHBondContact O-N 2.92Å; S51-L57 PolarHBondContact OG-N 2.96Å; S51-L57 VanDerWaalsContact OG-N 3.13Å; S51-L57 PolarHBondContact OG-O 3.17Å; K54-L57 HydrophobicContact CB-CD1 3.45Å; K54-L57 VanDerWaalsContact CB-CD1 3.45Å; K54-L57 HydrophobicContact CB-CG 3.76Å; K54-L57 HydrophobicContact CG-CD1 4Å
58	E	80.6	Confident	83.1	Confident	156 Å²	156	65 Å²	65	73%	0.729	36%	0.357	S	S	*	.			trans	-70.4	148.7	171.7	-65	-176.7	173	0	0	111.3	T60 N63	E58-T60 PolarHBondContact O-N 3.37Å; E58-T60 VanDerWaalsContact O-N 3.07Å; E58-N63 PolarHBondContact O-ND2 3.23Å
59	L	82.2	Confident	83	Confident	27 Å²	27	68.9 Å²	68.9	14%	0.141	37%	0.373	C	S	.	.			trans	-76.5	94.8	179.8	-176.3	73.1	0	0	0	110.2	L13 I18 C20 V25 M29 W47 L64	L13-L59 HydrophobicContact CD1-CD2 4.29Å; L13-L59 HydrophobicContact CD2-CD2 3.79Å; I18-L59 HydrophobicContact CG2-CB 4.09Å; I18-L59 HydrophobicContact CG2-CD2 4.03Å; C20-L59 HydrophobicContact CB-CD2 4.08Å; V25-L59 HydrophobicContact CG1-CD1 4.2Å; V25-L59 HydrophobicContact CG1-CD2 3.8Å; V25-L59 HydrophobicContact CG1-CG 3.63Å; M29-L59 HydrophobicContact SD-CD1 3.83Å; M29-L59 HydrophobicContact SD-CD2 3.97Å; M29-L59 HydrophobicContact SD-CG 4.49Å; W47-L59 HydrophobicContact CD2-CD1 3.94Å; W47-L59 HydrophobicContact CE3-CD1 4.47Å; W47-L59 HydrophobicContact CH2-CD1 4.01Å; W47-L59 HydrophobicContact CZ2-CB 3.97Å; W47-L59 HydrophobicContact CZ2-CD1 3.45Å; W47-L59 VanDerWaalsContact CZ2-CD1 3.45Å; W47-L59 HydrophobicContact CZ2-CG 4.31Å; W47-L59 HydrophobicContact CZ3-CD1 4.48Å; L59-L64 HydrophobicContact CD1-CD1 4.11Å; L59-L64 HydrophobicContact CD1-CD2 3.91Å; L59-L64 HydrophobicContact CD1-CG 4.04Å
60	T	84.4	Confident	82.9	Confident	52 Å²	52	69.7 Å²	69.7	32%	0.319	37%	0.369	S	S	.	.			trans	-126.7	160.2	175.7	64.7	0	0	0	0	110.6	E58 D62 N63 L64	E58-T60 PolarHBondContact O-N 3.37Å; E58-T60 VanDerWaalsContact O-N 3.07Å; T60-D62 PolarHBondContact O-N 3.44Å; T60-N63 PolarHBondContact O-N 2.83Å; T60-N63 PolarHBondContact OG1-N 2.94Å; T60-N63 PolarHBondContact OG1-ND2 3.11Å; T60-L64 PolarHBondContact O-N 3.27Å
61	L	82.4	Confident	82.7	Confident	61 Å²	61	69.4 Å²	69.4	32%	0.319	37%	0.369	S	S	.	.	H	α-helix	trans	-55.7	-48	177.6	-84.6	166.9	0	0	0	112.4	S24 V25 K28 N63 L64 E65	S24-L61 WeakPolarHBondContact OG-CD1 3.5Å; V25-L61 HydrophobicContact CG2-CG 3.99Å; K28-L61 HydrophobicContact CB-CD2 3.83Å; K28-L61 HydrophobicContact CG-CD2 4.13Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 3.01Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 3.21Å; L61-L64 VanDerWaalsContact O-N 3.09Å; L61-E65 PolarHBondContact O-N 3.02Å
62	D	83.2	Confident	82.2	Confident	110 Å²	110	75.6 Å²	75.6	59%	0.588	39%	0.39	S	S	*	.	H	α-helix	trans	-59.1	-40.4	179.8	-70.7	5	0	0	0	112.1	T60 E65 H66	T60-D62 PolarHBondContact O-N 3.44Å; D62-E65 PolarHBondContact O-N 3.13Å; D62-H66 PolarHBondContact O-N 2.59Å
63	N	84.9	Confident	81.7	Confident	31 Å²	31	75.5 Å²	75.5	17%	0.166	39%	0.385	C	S	.	.	H	α-helix	trans	-71.5	-31.8	178.4	-70.5	-23	0	0	0	112.2	W47 E58 T60 L61 H66 F67	W47-N63 HydrophobicContact CH2-CB 3.94Å; E58-N63 PolarHBondContact O-ND2 3.23Å; T60-N63 PolarHBondContact O-N 2.83Å; T60-N63 PolarHBondContact OG1-N 2.94Å; T60-N63 PolarHBondContact OG1-ND2 3.11Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 3.01Å; N63-H66 PolarHBondContact O-N 3.25Å; N63-F67 WeakPolarHBondContact O-CB 3.25Å; N63-F67 PolarHBondContact O-N 3.38Å
64	L	85.7	Confident	81.1	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-68.8	-34.8	173.7	-78.1	173.6	0	0	0	112.4	V25 K28 M29 L32 W47 L59 T60 L61 F67 E68	V25-L64 HydrophobicContact CG1-CD1 3.7Å; K28-L64 HydrophobicContact CB-CD1 4.27Å; K28-L64 HydrophobicContact CG-CB 4.27Å; K28-L64 HydrophobicContact CG-CD1 4.27Å; M29-L64 HydrophobicContact CG-CD1 3.7Å; M29-L64 HydrophobicContact CG-CD2 3.88Å; M29-L64 HydrophobicContact CG-CG 4.48Å; L32-L64 HydrophobicContact CD1-CD2 4.26Å; W47-L64 HydrophobicContact CD2-CD2 4.39Å; W47-L64 HydrophobicContact CE3-CD2 3.75Å; W47-L64 HydrophobicContact CH2-CD2 4.38Å; W47-L64 HydrophobicContact CZ3-CD2 3.73Å; W47-L64 HydrophobicContact CZ3-CG 4.28Å; L59-L64 HydrophobicContact CD1-CD1 4.11Å; L59-L64 HydrophobicContact CD1-CD2 3.91Å; L59-L64 HydrophobicContact CD1-CG 4.04Å; T60-L64 PolarHBondContact O-N 3.27Å; L61-L64 WeakPolarHBondContact O-CB 3.46Å; L61-L64 PolarHBondContact O-N 3.21Å; L61-L64 VanDerWaalsContact O-N 3.09Å; L64-F67 HydrophobicContact CD2-CD1 4.23Å; L64-F67 PolarHBondContact O-N 3.32Å; L64-E68 PolarHBondContact O-N 2.77Å
65	E	84.5	Confident	80.2	Confident	98 Å²	98	75 Å²	75	46%	0.458	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-41.4	172.7	-68.4	-173.9	168.4	0	0	111.3	L61 D62 E68 H69	L61-E65 PolarHBondContact O-N 3.02Å; D62-E65 PolarHBondContact O-N 3.13Å; E65-E68 WeakPolarHBondContact O-CB 3.36Å; E65-E68 PolarHBondContact O-N 3.18Å; E65-H69 PolarHBondContact O-CD2 3.37Å; E65-H69 VanDerWaalsContact O-CD2 3.26Å; E65-H69 PolarHBondContact O-N 2.76Å
66	H	84.6	Confident	79	Confident	110 Å²	110	71.2 Å²	71.2	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-39.5	175	-69.1	5.5	0	0	0	112.1	Y50 D62 N63 E68 H69 E70	Y50-H66 WeakPolarHBondContact OH-CB 3.4Å; D62-H66 PolarHBondContact O-N 2.59Å; N63-H66 PolarHBondContact O-N 3.25Å; H66-E68 VanDerWaalsContact C-N 3.34Å; H66-E68 PolarHBondContact O-N 2.94Å; H66-H69 PolarHBondContact O-N 2.88Å; H66-E70 PolarHBondContact O-N 3.22Å
67	F	86.6	Confident	77.8	Confident	4 Å²	4	76.2 Å²	76.2	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-62.2	-38.8	173.4	175.3	-119.9	0	0	0	112.6	L32 M43 E46 W47 Y50 N63 L64 H69 E70 L71	L32-F67 HydrophobicContact CD1-CD1 4.22Å; M43-F67 HydrophobicContact CE-CD1 4.42Å; M43-F67 HydrophobicContact CE-CE1 3.79Å; M43-F67 HydrophobicContact SD-CE1 4.08Å; E46-F67 HydrophobicContact CB-CE2 4.3Å; E46-F67 HydrophobicContact CB-CZ 3.84Å; E46-F67 WeakPolarHBondContact O-CE2 3.35Å; W47-F67 HydrophobicContact CB-CE1 4.38Å; W47-F67 HydrophobicContact CB-CZ 4.26Å; W47-F67 HydrophobicContact CE3-CB 4.12Å; W47-F67 AromaticContact CE3-CD1 3.82Å; W47-F67 HydrophobicContact CE3-CD1 3.82Å; W47-F67 HydrophobicContact CE3-CD2 4.26Å; W47-F67 HydrophobicContact CE3-CE1 4.24Å; W47-F67 AromaticContact CE3-CG 3.82Å; W47-F67 HydrophobicContact CE3-CG 3.82Å; W47-F67 HydrophobicContact CZ3-CB 3.87Å; W47-F67 HydrophobicContact CZ3-CD1 4.36Å; W47-F67 HydrophobicContact CZ3-CG 4.1Å; Y50-F67 HydrophobicContact CD1-CB 3.89Å; Y50-F67 AromaticContact CD1-CD2 3.62Å; Y50-F67 HydrophobicContact CD1-CD2 3.62Å; Y50-F67 HydrophobicContact CD1-CG 4.08Å; Y50-F67 AromaticContact CD2-CD2 3.9Å; Y50-F67 HydrophobicContact CD2-CD2 3.9Å; Y50-F67 HydrophobicContact CE1-CB 3.77Å; Y50-F67 HydrophobicContact CE1-CD2 4.28Å; Y50-F67 HydrophobicContact CE1-CG 4.45Å; Y50-F67 HydrophobicContact CG-CB 4.42Å; Y50-F67 AromaticContact CG-CD2 3.4Å; Y50-F67 HydrophobicContact CG-CD2 3.4Å; Y50-F67 HydrophobicContact CG-CE2 4.04Å; Y50-F67 HydrophobicContact CG-CG 4.3Å; N63-F67 WeakPolarHBondContact O-CB 3.25Å; N63-F67 PolarHBondContact O-N 3.38Å; L64-F67 HydrophobicContact CD2-CD1 4.23Å; L64-F67 PolarHBondContact O-N 3.32Å; F67-H69 VanDerWaalsContact C-N 3.32Å; F67-H69 PolarHBondContact O-N 3.28Å; F67-E70 PolarHBondContact O-N 3Å; F67-E70 VanDerWaalsContact O-N 3.13Å; F67-L71 HydrophobicContact CD1-CD1 3.84Å; F67-L71 HydrophobicContact CD2-CG 4.46Å; F67-L71 HydrophobicContact CE1-CD1 3.36Å; F67-L71 HydrophobicContact CE1-CG 4.18Å; F67-L71 HydrophobicContact CE2-CD1 4.11Å; F67-L71 HydrophobicContact CE2-CG 4.02Å; F67-L71 HydrophobicContact CG-CD1 4.41Å; F67-L71 HydrophobicContact CZ-CD1 3.52Å; F67-L71 HydrophobicContact CZ-CD2 4.28Å; F67-L71 HydrophobicContact CZ-CG 3.87Å; F67-L71 PolarHBondContact O-N 3.35Å
68	E	87.3	Confident	76.2	Confident	22 Å²	22	76.8 Å²	76.8	10%	0.103	38%	0.378	C	S	.	.	H	α-helix	trans	-58.2	-43.6	175.4	-175.3	175.5	173.5	0	0	111.9	K28 L32 L64 E65 H66 E70 L71 R72	K28-E68 IonicContact NZ-OE2 3.19Å; K28-E68 PolarHBondContact NZ-OE2 3.47Å; K28-E68 VanDerWaalsContact NZ-OE2 3.15Å; L32-E68 HydrophobicContact CD2-CB 3.65Å; L32-E68 HydrophobicContact CD2-CG 3.42Å; L32-E68 VanDerWaalsContact CD2-CG 3.42Å; L64-E68 PolarHBondContact O-N 2.77Å; E65-E68 WeakPolarHBondContact O-CB 3.36Å; E65-E68 PolarHBondContact O-N 3.18Å; H66-E68 VanDerWaalsContact C-N 3.34Å; H66-E68 PolarHBondContact O-N 2.94Å; E68-E70 VanDerWaalsContact C-N 3.31Å; E68-E70 PolarHBondContact O-N 2.9Å; E68-L71 PolarHBondContact O-N 2.91Å; E68-R72 WeakPolarHBondContact O-CG 3.46Å; E68-R72 PolarHBondContact O-N 3.19Å; E68-R72 IonicContact OE1-CZ 2.88Å; E68-R72 IonicContact OE1-NE 3.53Å; E68-R72 PolarHBondContact OE1-NE 2.87Å; E68-R72 IonicContact OE1-NH2 3.2Å; E68-R72 PolarHBondContact OE1-NH2 2.56Å
69	H	83.1	Confident	74.3	Confident	123 Å²	123	78.6 Å²	78.6	57%	0.569	38%	0.383	S	S	*	.	H	α-helix	trans	-62.9	-36.9	176.5	-79.1	-72	0	0	0	112.5	E65 H66 F67 N73	E65-H69 PolarHBondContact O-CD2 3.37Å; E65-H69 VanDerWaalsContact O-CD2 3.26Å; E65-H69 PolarHBondContact O-N 2.76Å; H66-H69 PolarHBondContact O-N 2.88Å; F67-H69 VanDerWaalsContact C-N 3.32Å; F67-H69 PolarHBondContact O-N 3.28Å; H69-N73 PolarHBondContact O-N 3.26Å; H69-N73 VanDerWaalsContact O-N 3.11Å; H69-N73 PolarHBondContact O-ND2 2.63Å
70	E	82.3	Confident	72.2	Confident	66 Å²	66	82.3 Å²	82.3	31%	0.308	41%	0.411	S	S	.	.	H	α-helix	trans	-71.3	-41.4	177.4	-167.5	165	143.9	0	0	112.3	Y50 H66 F67 E68 R72 N73 K74	Y50-E70 HydrophobicContact CD2-CB 4.5Å; Y50-E70 HydrophobicContact CE2-CB 4.25Å; Y50-E70 WeakPolarHBondContact CE2-OE2 3.46Å; H66-E70 PolarHBondContact O-N 3.22Å; F67-E70 PolarHBondContact O-N 3Å; F67-E70 VanDerWaalsContact O-N 3.13Å; E68-E70 VanDerWaalsContact C-N 3.31Å; E68-E70 PolarHBondContact O-N 2.9Å; E70-R72 VanDerWaalsContact C-N 3.32Å; E70-R72 PolarHBondContact O-N 2.76Å; E70-N73 PolarHBondContact O-N 3.48Å; E70-N73 VanDerWaalsContact O-N 3.16Å; E70-K74 PolarHBondContact O-N 2.77Å
71	L	81.8	Confident	69.8	Low	12 Å²	12	84.4 Å²	84.4	6%	0.063	43%	0.428	C	S	.	.	H	α-helix	trans	-57.5	-43.2	173	-85.4	169.2	0	0	0	112	L38 F67 E68 K74 K75	L38-L71 HydrophobicContact CD1-CD2 4.41Å; F67-L71 HydrophobicContact CD1-CD1 3.84Å; F67-L71 HydrophobicContact CD2-CG 4.46Å; F67-L71 HydrophobicContact CE1-CD1 3.36Å; F67-L71 HydrophobicContact CE1-CG 4.18Å; F67-L71 HydrophobicContact CE2-CD1 4.11Å; F67-L71 HydrophobicContact CE2-CG 4.02Å; F67-L71 HydrophobicContact CG-CD1 4.41Å; F67-L71 HydrophobicContact CZ-CD1 3.52Å; F67-L71 HydrophobicContact CZ-CD2 4.28Å; F67-L71 HydrophobicContact CZ-CG 3.87Å; F67-L71 PolarHBondContact O-N 3.35Å; E68-L71 PolarHBondContact O-N 2.91Å; L71-K74 PolarHBondContact O-N 3.47Å; L71-K75 PolarHBondContact O-N 2.81Å
72	R	74.3	Confident	67.2	Low	147 Å²	147	85.6 Å²	85.6	56%	0.555	44%	0.441	S	S	*	.	H	α-helix	trans	-63.8	-40.7	175.8	-72.8	179.6	-177.3	-154.2	4	111.9	E68 E70 K75 S76	E68-R72 WeakPolarHBondContact O-CG 3.46Å; E68-R72 PolarHBondContact O-N 3.19Å; E68-R72 IonicContact OE1-CZ 2.88Å; E68-R72 IonicContact OE1-NE 3.53Å; E68-R72 PolarHBondContact OE1-NE 2.87Å; E68-R72 IonicContact OE1-NH2 3.2Å; E68-R72 PolarHBondContact OE1-NH2 2.56Å; E70-R72 VanDerWaalsContact C-N 3.32Å; E70-R72 PolarHBondContact O-N 2.76Å; R72-K75 PolarHBondContact O-N 2.78Å; R72-S76 PolarHBondContact O-N 3.2Å
73	N	73.1	Confident	64.5	Low	103 Å²	103	93 Å²	93	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-71	-35.6	178.6	-78.5	-20.5	0	0	0	113.4	H69 E70 S76 K77	H69-N73 PolarHBondContact O-N 3.26Å; H69-N73 VanDerWaalsContact O-N 3.11Å; H69-N73 PolarHBondContact O-ND2 2.63Å; E70-N73 PolarHBondContact O-N 3.48Å; E70-N73 VanDerWaalsContact O-N 3.16Å; N73-S76 WeakPolarHBondContact O-CB 2.96Å; N73-S76 PolarHBondContact O-N 3.42Å; N73-K77 PolarHBondContact O-N 3.39Å; N73-K77 VanDerWaalsContact O-N 3.16Å
74	K	71.3	Confident	61.8	Low	99 Å²	99	101.2 Å²	101.2	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-61.3	-43	173.3	-106.8	178.3	172.9	176.6	0	111.7	E46 E70 L71 S76 K77 S78	E46-K74 IonicContact OE2-NZ 2.76Å; E46-K74 PolarHBondContact OE2-NZ 3.29Å; E70-K74 PolarHBondContact O-N 2.77Å; L71-K74 PolarHBondContact O-N 3.47Å; K74-S76 VanDerWaalsContact C-N 3.33Å; K74-S76 PolarHBondContact O-N 3.07Å; K74-K77 PolarHBondContact O-N 2.95Å; K74-S78 PolarHBondContact O-N 2.75Å
75	K	60.8	Low	59.2	Low	87 Å²	87	108.4 Å²	108.4	38%	0.378	53%	0.534	S	S	.	.	H	α-helix	trans	-66.1	-31.1	176.4	-79.1	-178.9	175.5	172.7	0	113.7	N36 L71 R72 K79	N36-K75 VanDerWaalsContact CA-NZ 3.27Å; N36-K75 VanDerWaalsContact CB-NZ 3.35Å; N36-K75 PolarHBondContact O-NZ 2.9Å; N36-K75 PolarHBondContact OD1-NZ 3.01Å; L71-K75 PolarHBondContact O-N 2.81Å; R72-K75 PolarHBondContact O-N 2.78Å; K75-K79 WeakPolarHBondContact O-CG 3.49Å
76	S	51.8	Low	56.5	Low	87 Å²	87	112.1 Å²	112.1	61%	0.608	55%	0.551	S	S	*	*	H	α-helix	trans	-65.8	-41.2	172.1	169	0	0	0	0	111.6	R72 N73 K74	R72-S76 PolarHBondContact O-N 3.2Å; N73-S76 WeakPolarHBondContact O-CB 2.96Å; N73-S76 PolarHBondContact O-N 3.42Å; K74-S76 VanDerWaalsContact C-N 3.33Å; K74-S76 PolarHBondContact O-N 3.07Å
77	K	46.8	Very low	53.9	Low	153 Å²	153	110.9 Å²	110.9	67%	0.665	56%	0.555	S	S	*	*	H	α-helix	trans	-79.6	-36.6	-179.6	-71.7	-179.6	178.4	175.8	0	114.2	N73 K74 K79 S80	N73-K77 PolarHBondContact O-N 3.39Å; N73-K77 VanDerWaalsContact O-N 3.16Å; K74-K77 PolarHBondContact O-N 2.95Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.21Å; K77-S80 PolarHBondContact O-N 3.42Å; K77-S80 VanDerWaalsContact O-N 3.07Å; K77-S80 PolarHBondContact O-OG 3.28Å
78	S	48.1	Very low	51.2	Low	65 Å²	65	121 Å²	121	46%	0.455	60%	0.595	S	S	.	*	H	α-helix	trans	-68.9	-25.8	-178.2	77.2	0	0	0	0	113.5	K74 S80 S81	K74-S78 PolarHBondContact O-N 2.75Å; S78-S80 PolarHBondContact O-N 3.43Å; S78-S81 PolarHBondContact O-N 2.83Å
79	K	42	Very low	48.4	Very low	193 Å²	193	127.2 Å²	127.2	84%	0.839	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-13.6	170.8	-76.1	-176.7	175.7	-175.1	0	113.8	K75 K77	K75-K79 WeakPolarHBondContact O-CG 3.49Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.21Å
80	S	37.1	Very low	46	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-8.9	178.9	76.2	0	0	0	0	114.9	K77 S78	K77-S80 PolarHBondContact O-N 3.42Å; K77-S80 VanDerWaalsContact O-N 3.07Å; K77-S80 PolarHBondContact O-OG 3.28Å; S78-S80 PolarHBondContact O-N 3.43Å
81	S	34.3	Very low	43.6	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	4.7	-166.2	68.6	0	0	0	0	118.1	S78	S78-S81 PolarHBondContact O-N 2.83Å
82	S	28	Very low	41.4	Very low	86 Å²	86	145.3 Å²	145.3	60%	0.601	71%	0.705	S	S	*	*			trans	-131.6	85	-177.4	-173	0	0	0	0	113.7
83	W	25.6	Very low	39.7	Very low	266 Å²	266	143.7 Å²	143.7	100%	1.008	71%	0.707	S	S	*	*			trans	-145.9	84.6	147.8	-70.4	88.5	0	0	0	108.1
84	K	29.5	Very low	38	Very low	204 Å²	204	144.4 Å²	144.4	89%	0.887	71%	0.71	S	S	*	*			trans	-110.6	108.5	156	-101.8	-172.6	175.6	-177.2	0	106.8
85	D	30.3	Very low	36.4	Very low	150 Å²	150	146.6 Å²	146.6	80%	0.802	72%	0.721	S	S	*	*			trans	33.6	106.2	136.7	-147.9	12.7	0	0	0	117.4
86	E	27	Very low	35.6	Very low	176 Å²	176	145.8 Å²	145.8	82%	0.822	73%	0.726	S	S	*	*			trans	-141.4	119	144.5	-88.5	-150.3	154.7	0	0	110.8
87	S	31	Very low	35.2	Very low	85 Å²	85	146.8 Å²	146.8	59%	0.594	72%	0.724	S	S	*	*			trans	-74.6	139	176.6	93.6	0	0	0	0	110.9
88	Y	30.2	Very low	34.8	Very low	217 Å²	217	145.2 Å²	145.2	85%	0.851	72%	0.719	S	S	*	*			trans	-130	115.7	151.1	-91.2	-82	0	0	0	111.2
89	N	28.6	Very low	34.5	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	73%	0.731	S	S	*	*			trans	-52	128.4	172.9	-74.8	-47.9	0	0	0	112.9
90	R	31.2	Very low	34.6	Very low	227 Å²	227	145.1 Å²	145.1	86%	0.857	72%	0.717	S	S	*	*			trans	-135.8	114.3	146.2	-132.7	179.1	-173.3	-171.8	2	107.8	R92	R90-R92 PolarHBondContact O-N 3.32Å
91	T	32.3	Very low	35	Very low	145 Å²	145	143.5 Å²	143.5	89%	0.89	70%	0.7	S	S	*	*			trans	-59.8	105.5	177.7	33.1	0	0	0	0	110.2
92	R	35.4	Very low	35.3	Very low	209 Å²	209	145 Å²	145	79%	0.789	69%	0.694	S	S	*	*			trans	-120.9	145.5	159.1	-73.5	-176.9	169.2	175.9	-4.4	107.1	R90 I94	R90-R92 PolarHBondContact O-N 3.32Å; R92-I94 PolarHBondContact O-N 2.9Å
93	D	39.2	Very low	36.2	Very low	114 Å²	114	143 Å²	143	61%	0.61	68%	0.684	S	S	*	*			trans	-53.9	108.6	-170.5	-170.1	-0.7	0	0	0	111.7	H95 S96	D93-H95 PolarHBondContact O-N 3.14Å; D93-H95 IonicContact OD1-CD2 3.86Å; D93-H95 PolarHBondContact OD1-CD2 3.37Å; D93-H95 IonicContact OD1-CG 2.78Å; D93-H95 PolarHBondContact OD1-N 3.14Å; D93-S96 PolarHBondContact O-N 2.93Å
94	I	38.2	Very low	37.1	Very low	118 Å²	118	135.1 Å²	135.1	61%	0.605	66%	0.658	S	S	*	*	H	α-helix	trans	-59.7	-28.3	-173.3	-67.9	166.5	0	0	0	110.7	R92 S96 L97 E98	R92-I94 PolarHBondContact O-N 2.9Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 2.89Å; I94-L97 PolarHBondContact O-N 2.71Å; I94-E98 PolarHBondContact O-N 2.91Å
95	H	37.7	Very low	37.7	Very low	145 Å²	145	130.8 Å²	130.8	67%	0.671	64%	0.64	S	S	*	*	H	α-helix	trans	-70.2	-26.3	-176.2	-62.9	-59.3	0	0	0	113.9	D93	D93-H95 PolarHBondContact O-N 3.14Å; D93-H95 IonicContact OD1-CD2 3.86Å; D93-H95 PolarHBondContact OD1-CD2 3.37Å; D93-H95 IonicContact OD1-CG 2.78Å; D93-H95 PolarHBondContact OD1-N 3.14Å
96	S	43.5	Very low	38.5	Very low	69 Å²	69	129 Å²	129	48%	0.483	63%	0.628	S	S	.	*	H	α-helix	trans	-83.1	-29.9	178.3	163.9	0	0	0	0	113.4	D93 I94	D93-S96 PolarHBondContact O-N 2.93Å; I94-S96 VanDerWaalsContact C-N 3.33Å; I94-S96 PolarHBondContact O-N 2.89Å
97	L	43.9	Very low	39.6	Very low	108 Å²	108	125.2 Å²	125.2	57%	0.565	61%	0.61	S	S	*	*	H	α-helix	trans	-81	-39.6	-179	-137.4	92	0	0	0	110.9	I94 E99 L100 I101	I94-L97 PolarHBondContact O-N 2.71Å; L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.48Å; L97-L100 PolarHBondContact O-N 3.46Å; L97-I101 HydrophobicContact CD2-CD1 3.98Å; L97-I101 HydrophobicContact CG-CD1 4.3Å; L97-I101 WeakPolarHBondContact O-CB 3.37Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.3Å; L97-I101 PolarHBondContact O-N 2.89Å
98	E	38.3	Very low	40.4	Very low	121 Å²	121	125.4 Å²	125.4	57%	0.565	60%	0.601	S	S	*	*	H	α-helix	trans	-62.1	-36.2	177.5	-135.3	85.4	-174	0	0	111.7	I94 K102	I94-E98 PolarHBondContact O-N 2.91Å; E98-K102 WeakPolarHBondContact O-CB 3.31Å; E98-K102 PolarHBondContact O-N 3.08Å
99	E	41.5	Very low	40.9	Very low	150 Å²	150	120.4 Å²	120.4	70%	0.701	59%	0.589	S	S	*	*	H	α-helix	trans	-69.2	-37.8	176.8	-80.7	-175.6	166.1	0	0	112.7	L97 A103	L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 3.48Å; E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 2.95Å
100	L	44.5	Very low	41.9	Very low	105 Å²	105	118.1 Å²	118.1	55%	0.55	58%	0.577	S	S	.	*	H	α-helix	trans	-71.1	-44.2	176.3	-74.5	167.5	0	0	0	111.7	L97 K102 A103 E104	L97-L100 PolarHBondContact O-N 3.46Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.48Å; L100-A103 PolarHBondContact O-N 3.36Å; L100-E104 WeakPolarHBondContact O-CB 3.34Å; L100-E104 WeakPolarHBondContact O-CG 3.4Å; L100-E104 PolarHBondContact O-N 2.8Å
101	I	44.9	Very low	42.6	Very low	72 Å²	72	108.2 Å²	108.2	37%	0.369	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-42.5	176	-68.3	165.8	0	0	0	110	L97 E104 E105	L97-I101 HydrophobicContact CD2-CD1 3.98Å; L97-I101 HydrophobicContact CG-CD1 4.3Å; L97-I101 WeakPolarHBondContact O-CB 3.37Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.3Å; L97-I101 PolarHBondContact O-N 2.89Å; I101-E104 PolarHBondContact O-N 2.82Å; I101-E105 HydrophobicContact CG2-CG 4.33Å; I101-E105 WeakPolarHBondContact O-CB 3.36Å; I101-E105 WeakPolarHBondContact O-CG 3.43Å; I101-E105 PolarHBondContact O-N 2.92Å
102	K	39.7	Very low	43.3	Very low	126 Å²	126	106.4 Å²	106.4	55%	0.548	53%	0.525	S	S	.	.	H	α-helix	trans	-68.5	-37	178.7	-169.4	177.3	179.4	-173	0	112.4	E98 L100 E106	E98-K102 WeakPolarHBondContact O-CB 3.31Å; E98-K102 PolarHBondContact O-N 3.08Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.48Å; K102-E106 WeakPolarHBondContact CE-OE1 3.47Å; K102-E106 VanDerWaalsContact O-CB 3.3Å; K102-E106 WeakPolarHBondContact O-CB 3.5Å; K102-E106 VanDerWaalsContact O-CG 3.23Å; K102-E106 WeakPolarHBondContact O-CG 3.45Å; K102-E106 PolarHBondContact O-N 3.09Å
103	A	46.8	Very low	43.7	Very low	46 Å²	46	100.3 Å²	100.3	38%	0.38	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-41.7	172.4	0	0	0	0	0	111.6	E99 L100 E106 E107	E99-A103 WeakPolarHBondContact O-CB 3.33Å; E99-A103 PolarHBondContact O-N 2.95Å; L100-A103 PolarHBondContact O-N 3.36Å; A103-E106 PolarHBondContact O-N 2.84Å; A103-E107 WeakPolarHBondContact O-CG 3.46Å; A103-E107 PolarHBondContact O-N 2.85Å
104	E	46.1	Very low	44	Very low	100 Å²	100	98.2 Å²	98.2	47%	0.467	50%	0.499	S	S	.	.	H	α-helix	trans	-66	-42	175.1	-74.6	-179.4	179.5	0	0	112.4	L100 I101 E107 E108	L100-E104 WeakPolarHBondContact O-CB 3.34Å; L100-E104 WeakPolarHBondContact O-CG 3.4Å; L100-E104 PolarHBondContact O-N 2.8Å; I101-E104 PolarHBondContact O-N 2.82Å; E104-E107 PolarHBondContact O-N 2.82Å; E104-E108 WeakPolarHBondContact O-CG 3.32Å; E104-E108 PolarHBondContact O-N 3.49Å
105	E	42.1	Very low	44.3	Very low	112 Å²	112	94.1 Å²	94.1	52%	0.523	48%	0.48	S	S	.	.	H	α-helix	trans	-67.2	-35.3	175.5	-77.6	-174.6	170.8	0	0	112.7	I101 E108 N109	I101-E105 HydrophobicContact CG2-CG 4.33Å; I101-E105 WeakPolarHBondContact O-CB 3.36Å; I101-E105 WeakPolarHBondContact O-CG 3.43Å; I101-E105 PolarHBondContact O-N 2.92Å; E105-E108 PolarHBondContact O-N 3.21Å; E105-N109 WeakPolarHBondContact O-CB 3.26Å; E105-N109 PolarHBondContact O-N 2.84Å; E105-N109 PolarHBondContact O-ND2 3.03Å
106	E	47.1	Very low	44.6	Very low	114 Å²	114	88.1 Å²	88.1	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-67.5	-36.8	173.2	-77.2	177.3	-168.2	0	0	111	K102 A103 L110	K102-E106 WeakPolarHBondContact CE-OE1 3.47Å; K102-E106 VanDerWaalsContact O-CB 3.3Å; K102-E106 WeakPolarHBondContact O-CB 3.5Å; K102-E106 VanDerWaalsContact O-CG 3.23Å; K102-E106 WeakPolarHBondContact O-CG 3.45Å; K102-E106 PolarHBondContact O-N 3.09Å; A103-E106 PolarHBondContact O-N 2.84Å; E106-L110 WeakPolarHBondContact O-CG 3.41Å; E106-L110 PolarHBondContact O-N 3.32Å
107	E	49.4	Very low	44.5	Very low	96 Å²	96	89.7 Å²	89.7	45%	0.449	46%	0.463	S	S	.	.	H	α-helix	trans	-70.4	-34.7	172.9	-75.6	-164.9	-164.7	0	0	113.5	A103 E104 L110 L111 R501	A103-E107 WeakPolarHBondContact O-CG 3.46Å; A103-E107 PolarHBondContact O-N 2.85Å; E104-E107 PolarHBondContact O-N 2.82Å; E107-L110 PolarHBondContact O-N 3.01Å; E107-L111 PolarHBondContact O-N 3.14Å; E107-R501 IonicContact OE2-CZ 3.39Å; E107-R501 IonicContact OE2-NH1 2.86Å; E107-R501 PolarHBondContact OE2-NH1 2.78Å
108	E	48.1	Very low	44.3	Very low	88 Å²	88	87.6 Å²	87.6	41%	0.411	47%	0.468	S	S	.	.	H	α-helix	trans	-70.1	-42.5	174.7	-77.8	-175.4	177.7	0	0	112.3	E104 E105 L110 L111 D112 K268	E104-E108 WeakPolarHBondContact O-CG 3.32Å; E104-E108 PolarHBondContact O-N 3.49Å; E105-E108 PolarHBondContact O-N 3.21Å; E108-L110 PolarHBondContact O-N 3.39Å; E108-L111 WeakPolarHBondContact O-CB 3.31Å; E108-L111 PolarHBondContact O-N 2.84Å; E108-D112 PolarHBondContact O-N 2.77Å; E108-K268 IonicContact OE1-NZ 3.71Å; E108-K268 PolarHBondContact OE1-NZ 2.86Å
109	N	41.3	Very low	44.5	Very low	112 Å²	112	86 Å²	86	60%	0.599	46%	0.459	S	S	*	.	H	α-helix	trans	-60.4	-32.3	174.2	-83.4	-51.8	0	0	0	112.2	E105 S113	E105-N109 WeakPolarHBondContact O-CB 3.26Å; E105-N109 PolarHBondContact O-N 2.84Å; E105-N109 PolarHBondContact O-ND2 3.03Å; N109-S113 PolarHBondContact O-N 3.11Å
110	L	49.3	Very low	43.9	Very low	104 Å²	104	83.4 Å²	83.4	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-67.1	-43.9	172.8	-74.6	170.7	0	0	0	111.4	E106 E107 E108 S113 Y114	E106-L110 WeakPolarHBondContact O-CG 3.41Å; E106-L110 PolarHBondContact O-N 3.32Å; E107-L110 PolarHBondContact O-N 3.01Å; E108-L110 PolarHBondContact O-N 3.39Å; L110-S113 PolarHBondContact O-N 3.01Å; L110-S113 PolarHBondContact O-OG 3.35Å; L110-Y114 WeakPolarHBondContact O-CD2 3.26Å; L110-Y114 WeakPolarHBondContact O-CE2 3.2Å
111	L	46	Very low	43.3	Very low	19 Å²	19	83.4 Å²	83.4	10%	0.099	47%	0.466	C	S	.	.	H	α-helix	trans	-63.4	-45.1	178.5	-78.4	158.4	0	0	0	113.1	E107 E108 S113 Y114 F486 L551	E107-L111 PolarHBondContact O-N 3.14Å; E108-L111 WeakPolarHBondContact O-CB 3.31Å; E108-L111 PolarHBondContact O-N 2.84Å; L111-S113 VanDerWaalsContact C-N 3.25Å; L111-S113 PolarHBondContact O-N 2.69Å; L111-Y114 PolarHBondContact O-N 3.5Å; L111-F486 HydrophobicContact CD2-CD2 4.36Å; L111-F486 HydrophobicContact CD2-CE2 4.3Å; L111-L551 HydrophobicContact CD2-CD2 3.64Å
112	D	45.5	Very low	42.6	Very low	106 Å²	106	88.8 Å²	88.8	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-65	-29.5	-178.7	-87.2	-6.8	0	0	0	112.7	E108 Y114 S115	E108-D112 PolarHBondContact O-N 2.77Å; D112-Y114 PolarHBondContact O-N 3.43Å; D112-Y114 VanDerWaalsContact O-N 3.13Å; D112-S115 PolarHBondContact O-N 3.25Å
113	S	45.6	Very low	42.3	Very low	81 Å²	81	92.3 Å²	92.3	57%	0.566	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.9	177.7	76.8	0	0	0	0	114.4	N109 L110 L111	N109-S113 PolarHBondContact O-N 3.11Å; L110-S113 PolarHBondContact O-N 3.01Å; L110-S113 PolarHBondContact O-OG 3.35Å; L111-S113 VanDerWaalsContact C-N 3.25Å; L111-S113 PolarHBondContact O-N 2.69Å
114	Y	44.7	Very low	41.6	Very low	70 Å²	70	101.4 Å²	101.4	28%	0.275	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-7.6	-179.4	-64.2	-70.8	0	0	0	114.4	L110 L111 D112 E550 R552	L110-Y114 WeakPolarHBondContact O-CD2 3.26Å; L110-Y114 WeakPolarHBondContact O-CE2 3.2Å; L111-Y114 PolarHBondContact O-N 3.5Å; D112-Y114 PolarHBondContact O-N 3.43Å; D112-Y114 VanDerWaalsContact O-N 3.13Å; Y114-E550 VanDerWaalsContact O-O 3.09Å; Y114-R552 HydrophobicContact CD1-CB 4.15Å; Y114-R552 HydrophobicContact CE1-CB 3.63Å; Y114-R552 HydrophobicContact CE1-CG 4.24Å
115	S	43.5	Very low	40.7	Very low	32 Å²	32	103.2 Å²	103.2	22%	0.224	55%	0.547	C	S	.	.	S	Bend	trans	-74.3	142.4	-176.2	-71.8	0	0	0	0	113.4	D112	D112-S115 PolarHBondContact O-N 3.25Å
116	T	44	Very low	40.1	Very low	20 Å²	20	105.7 Å²	105.7	12%	0.123	56%	0.563	C	S	.	*			trans	-67.4	150.8	170.2	39	0	0	0	0	111.5	G118 K119 E550 K571	T116-G118 PolarHBondContact O-N 3.24Å; T116-K119 PolarHBondContact O-N 3.24Å; T116-K119 VanDerWaalsContact O-N 3.16Å; T116-E550 WeakPolarHBondContact CG2-OE1 3.44Å; T116-E550 VanDerWaalsContact CG2-OE2 3.26Å; T116-E550 WeakPolarHBondContact CG2-OE2 3.47Å; T116-E550 PolarHBondContact OG1-OE1 2.94Å; T116-K571 HydrophobicContact CG2-CB 4.38Å
117	P	42	Very low	39.4	Very low	101 Å²	101	105.4 Å²	105.4	66%	0.656	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	10.5	-172.5	-21.9	33.3	0	0	0	117.5
118	G	39.2	Very low	38.5	Very low	65 Å²	65	106.6 Å²	106.6	67%	0.67	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-14.9	171.2	0	0	0	0	0	114.3	T116	T116-G118 PolarHBondContact O-N 3.24Å
119	K	43.2	Very low	37.7	Very low	88 Å²	88	108.7 Å²	108.7	38%	0.383	61%	0.608	S	S	.	*			trans	-99.8	59.7	173.7	-71.7	-166	175.4	-169.5	0	110.7	T116 S121 E524	T116-K119 PolarHBondContact O-N 3.24Å; T116-K119 VanDerWaalsContact O-N 3.16Å; K119-S121 PolarHBondContact O-N 3.39Å; K119-E524 IonicContact NZ-OE1 3.3Å; K119-E524 PolarHBondContact NZ-OE1 2.99Å
120	S	28.8	Very low	37.2	Very low	94 Å²	94	112.3 Å²	112.3	66%	0.657	62%	0.622	S	S	*	*			trans	-78.5	105.4	160.4	62.8	0	0	0	0	107.6	Q122	S120-Q122 PolarHBondContact O-N 2.85Å
121	S	32	Very low	36.2	Very low	106 Å²	106	116.2 Å²	116.2	74%	0.741	64%	0.637	S	S	*	*			trans	-47.9	114.6	155.6	-90.9	0	0	0	0	107	K119 K123	K119-S121 PolarHBondContact O-N 3.39Å; S121-K123 PolarHBondContact O-N 2.69Å
122	Q	31.2	Very low	35.4	Very low	185 Å²	185	121.1 Å²	121.1	86%	0.864	67%	0.67	S	S	*	*			trans	-64.3	87.7	175.4	-72.7	-170.2	-11.8	0	0	108.1	S120 R124	S120-Q122 PolarHBondContact O-N 2.85Å; Q122-R124 PolarHBondContact O-N 3.08Å
123	K	32.2	Very low	34.5	Very low	199 Å²	199	125 Å²	125	87%	0.865	69%	0.685	S	S	*	*			trans	-57.3	120.7	153.9	-89.4	-177.6	175.9	173.9	0	105.5	S121 V125	S121-K123 PolarHBondContact O-N 2.69Å; K123-V125 PolarHBondContact O-N 2.83Å
124	R	31.9	Very low	33.7	Very low	238 Å²	238	126.2 Å²	126.2	90%	0.898	69%	0.693	S	S	*	*			trans	-36	124.3	174.7	-81.4	178.5	-170.5	170.6	4.8	109.9	Q122 L126	Q122-R124 PolarHBondContact O-N 3.08Å; R124-L126 PolarHBondContact O-N 2.81Å
125	V	27.6	Very low	33	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	72%	0.722	S	S	*	*			trans	-55.7	107.5	168.2	176.1	0	0	0	0	107.6	K123 S127	K123-V125 PolarHBondContact O-N 2.83Å; V125-S127 PolarHBondContact O-N 3.1Å
126	L	29.7	Very low	32.4	Very low	165 Å²	165	141.7 Å²	141.7	86%	0.864	75%	0.752	S	S	*	*			trans	-67.7	111.8	161.4	-94.4	152.5	0	0	0	106.9	R124 T128	R124-L126 PolarHBondContact O-N 2.81Å; L126-T128 PolarHBondContact O-N 3.17Å; L126-T128 VanDerWaalsContact O-N 3.1Å
127	S	32	Very low	31.6	Very low	108 Å²	108	147 Å²	147	76%	0.755	78%	0.784	S	S	*	*			trans	-66.1	99.9	176.8	53.3	0	0	0	0	110.8	V125	V125-S127 PolarHBondContact O-N 3.1Å
128	T	30.6	Very low	30.9	Very low	121 Å²	121	147.8 Å²	147.8	74%	0.742	79%	0.792	S	S	*	*			trans	-146.7	131.7	150.2	37.5	0	0	0	0	109.4	L126	L126-T128 PolarHBondContact O-N 3.17Å; L126-T128 VanDerWaalsContact O-N 3.1Å
129	P	31.5	Very low	30.4	Very low	131 Å²	131	149.5 Å²	149.5	85%	0.851	80%	0.8	S	S	*	*			trans	-87.8	118.5	-178.4	31.8	-28.2	0	0	0	110.4
130	E	30.7	Very low	29.9	Very low	188 Å²	188	153.4 Å²	153.4	88%	0.879	82%	0.824	S	S	*	*			trans	-119.3	133	164.1	-67.6	-157.3	150.9	0	0	111.3
131	H	28	Very low	29.9	Very low	186 Å²	186	156.7 Å²	156.7	86%	0.861	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-60.9	136.2	-170.2	-91	-79.3	0	0	0	114.5
132	P	30.5	Very low	29.8	Very low	123 Å²	123	158.8 Å²	158.8	80%	0.799	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-82.8	119.1	165.4	30.4	-28.3	0	0	0	110.8
133	Q	26.1	Very low	30	Very low	188 Å²	188	155 Å²	155	88%	0.879	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-84	118.4	164.3	-75.6	-166.4	-11.1	0	0	110.5
134	S	28.8	Very low	30.2	Very low	105 Å²	105	151.3 Å²	151.3	73%	0.734	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75	132.9	175	175.7	0	0	0	0	111.8
135	K	30.1	Very low	30.3	Very low	206 Å²	206	143.9 Å²	143.9	90%	0.896	83%	0.83	S	S	*	*			trans	-135.2	99.4	155.4	-73.1	-171.1	-179.9	177.3	0	110.1
136	R	30.4	Very low	31	Very low	222 Å²	222	143 Å²	143	84%	0.838	82%	0.82	S	S	*	*			trans	-80.5	138.9	154.6	-81.4	-178.4	166.1	-176.2	-3.6	108.6
137	T	26.7	Very low	31.7	Very low	132 Å²	132	143.4 Å²	143.4	81%	0.81	82%	0.822	S	S	*	*				174.9	149	103.3	25.2	0	0	0	0	113.8
138	S	27	Very low	32.4	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	80%	0.796	S	S	*	*			trans	72.7	109.6	152.6	51.3	0	0	0	0	121.1
139	A	29.5	Very low	33	Very low	101 Å²	101	137.5 Å²	137.5	84%	0.835	78%	0.782	S	S	*	*				-165.6	129.9	97.3	0	0	0	0	0	111.4
140	L	32.8	Very low	33.8	Very low	169 Å²	169	131.8 Å²	131.8	89%	0.885	75%	0.745	S	S	*	*			trans	-78.7	120.9	172.2	-78.6	138.7	0	0	0	109.7
141	L	29.3	Very low	34.5	Very low	163 Å²	163	126 Å²	126	85%	0.853	73%	0.729	S	S	*	*			trans	-140.8	115	155	-74.4	175.7	0	0	0	108.7	S143	L141-S143 PolarHBondContact O-N 3.22Å
142	T	29.9	Very low	35.3	Very low	150 Å²	150	119.6 Å²	119.6	92%	0.92	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-70.5	119.7	172.4	37.2	0	0	0	0	109.8
143	S	35.3	Very low	36.2	Very low	105 Å²	105	122.3 Å²	122.3	73%	0.734	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-102.7	151.9	173.8	-49.4	0	0	0	0	110.7	L141	L141-S143 PolarHBondContact O-N 3.22Å
144	P	34.8	Very low	37.4	Very low	122 Å²	122	118.1 Å²	118.1	79%	0.792	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-66.7	144	-177.3	-11.1	26.6	0	0	0	111.7	L146	P144-L146 PolarHBondContact O-N 3.31Å
145	G	35.1	Very low	38.6	Very low	82 Å²	82	118.7 Å²	118.7	85%	0.845	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-58	122.6	-176.7	0	0	0	0	0	113.5
146	L	41.6	Very low	39.9	Very low	119 Å²	119	111.3 Å²	111.3	62%	0.623	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-79.7	132.6	168.9	-87.6	140.7	0	0	0	109.9	P144 L148	P144-L146 PolarHBondContact O-N 3.31Å; L146-L148 PolarHBondContact O-N 3.07Å; L146-L148 VanDerWaalsContact O-N 3.15Å
147	L	44.8	Very low	41.4	Very low	174 Å²	174	107.6 Å²	107.6	91%	0.911	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-5.4	-175.6	-86.2	156.1	0	0	0	115.2
148	L	46.1	Very low	43.6	Very low	41 Å²	41	105 Å²	105	22%	0.215	65%	0.653	C	S	.	*	T	Hydrogen-bonded Turn	trans	-121.5	8.8	-167.1	-67.6	175.7	0	0	0	115.9	L146 P150 I367 R410	L146-L148 PolarHBondContact O-N 3.07Å; L146-L148 VanDerWaalsContact O-N 3.15Å; L148-P150 WeakPolarHBondContact O-CD 3.49Å; L148-I367 HydrophobicContact CD1-CD1 3.81Å; L148-I367 HydrophobicContact CD1-CG1 3.96Å; L148-R410 HydrophobicContact CD2-CG 4.07Å
149	S	44.5	Very low	46	Very low	63 Å²	63	101.7 Å²	101.7	44%	0.441	63%	0.629	S	S	.	*			trans	-86	123.7	177.6	-60.9	0	0	0	0	111.9
150	P	48.7	Very low	48.5	Very low	11 Å²	11	97 Å²	97	7%	0.071	59%	0.59	C	S	.	*			trans	-64.4	150.4	165.3	20.5	-22.7	0	0	0	110.7	L148 N152 L361	L148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-N152 PolarHBondContact O-N 3.39Å; P150-L361 WeakPolarHBondContact CD-O 3.14Å; P150-L361 HydrophobicContact CG-CB 3.84Å; P150-L361 HydrophobicContact CG-CD1 4.18Å
151	A	44.6	Very low	51.2	Low	66 Å²	66	93.2 Å²	93.2	55%	0.545	57%	0.568	S	S	.	*			trans	-72.9	93.6	-174.7	0	0	0	0	0	111.1	T401	A151-T401 WeakPolarHBondContact O-CB 3.28Å; A151-T401 WeakPolarHBondContact O-CG2 3.22Å; A151-T401 PolarHBondContact O-OG1 3.22Å
152	N	45.3	Very low	54	Low	52 Å²	52	91.1 Å²	91.1	28%	0.278	55%	0.552	S	S	.	*			trans	-79	150.2	174.9	-80	-4.5	0	0	0	112.2	P150 S154 Q394	P150-N152 PolarHBondContact O-N 3.39Å; N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 2.86Å; N152-Q394 PolarHBondContact ND2-OE1 3.17Å
153	F	48.4	Very low	57	Low	181 Å²	181	84.1 Å²	84.1	79%	0.794	51%	0.509	S	S	*	.	S	Bend	trans	-64.8	92.8	164.6	-72.8	-83.6	0	0	0	109.3	T401	F153-T401 HydrophobicContact CD2-CG2 4.28Å; F153-T401 HydrophobicContact CE2-CG2 3.86Å; F153-T401 HydrophobicContact CZ-CG2 4.46Å
154	S	50.9	Low	59.6	Low	100 Å²	100	82.8 Å²	82.8	70%	0.699	50%	0.499	S	S	*	.	S	Bend	trans	66.5	130.9	-169.1	-48.5	0	0	0	0	114.1	N152	N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 2.86Å
155	P	54.8	Low	62.3	Low	116 Å²	116	83.5 Å²	83.5	75%	0.753	49%	0.492	S	S	*	.			trans	-64	140.2	179.1	24.6	-31.1	0	0	0	111.1	V157	P155-V157 PolarHBondContact O-N 2.84Å
156	S	56.8	Low	65	Low	51 Å²	51	82.4 Å²	82.4	36%	0.357	46%	0.463	S	S	.	.			trans	-53.9	136.8	166.8	50.2	0	0	0	0	109.6	T158 P159	S156-T158 VanDerWaalsContact C-N 3.28Å; S156-T158 PolarHBondContact O-N 3.48Å; S156-P159 WeakPolarHBondContact O-CD 3.41Å; S156-P159 VanDerWaalsContact OG-CB 3.29Å; S156-P159 WeakPolarHBondContact OG-CB 3.43Å; S156-P159 WeakPolarHBondContact OG-CD 3.38Å; S156-P159 WeakPolarHBondContact OG-CG 3.39Å
157	V	62	Low	67.1	Low	144 Å²	144	82.9 Å²	82.9	87%	0.873	48%	0.476	S	S	*	.	S	Bend	trans	-69.1	-26.6	-173.2	-177.2	0	0	0	0	112.2	P155	P155-V157 PolarHBondContact O-N 2.84Å
158	T	73.2	Confident	69	Low	78 Å²	78	75.4 Å²	75.4	48%	0.479	44%	0.441	S	S	.	.	S	Bend	trans	-151.3	66.3	179.8	54.1	0	0	0	0	112.6	S156	S156-T158 VanDerWaalsContact C-N 3.28Å; S156-T158 PolarHBondContact O-N 3.48Å
159	P	76.9	Confident	71.2	Confident	47 Å²	47	78.6 Å²	78.6	31%	0.305	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	141.1	177.9	24.3	-27.6	0	0	0	111	S156 Q161 S360 T362	S156-P159 WeakPolarHBondContact O-CD 3.41Å; S156-P159 VanDerWaalsContact OG-CB 3.29Å; S156-P159 WeakPolarHBondContact OG-CB 3.43Å; S156-P159 WeakPolarHBondContact OG-CD 3.38Å; S156-P159 WeakPolarHBondContact OG-CG 3.39Å; P159-Q161 PolarHBondContact O-N 2.86Å; P159-S360 WeakPolarHBondContact CB-OG 3.28Å; P159-T362 HydrophobicContact CB-CG2 4.37Å
160	S	83.4	Confident	73.6	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.014	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	23.4	171.1	-54.3	0	0	0	0	115.5	K162 Y163 S164 S360 T362 D364	S160-K162 PolarHBondContact O-N 3.33Å; S160-Y163 PolarHBondContact O-N 2.78Å; S160-S164 WeakPolarHBondContact O-CB 3.13Å; S160-S164 PolarHBondContact O-N 2.9Å; S160-S164 PolarHBondContact O-OG 3Å; S160-S360 VanDerWaalsContact OG-CB 3.22Å; S160-S360 WeakPolarHBondContact OG-CB 3.49Å; S160-S360 PolarHBondContact OG-OG 3.38Å; S160-T362 PolarHBondContact OG-OG1 2.86Å; S160-T362 VanDerWaalsContact OG-OG1 3.06Å; S160-D364 WeakPolarHBondContact CB-OD2 3.26Å; S160-D364 PolarHBondContact OG-OD2 3.44Å
161	Q	87.8	Confident	75.8	Confident	90 Å²	90	81 Å²	81	42%	0.421	47%	0.466	S	S	.	.	H	α-helix	trans	-61.8	-44.8	-173.7	-173.2	-179.6	7.7	0	0	112.1	P159 S164 Q165	P159-Q161 PolarHBondContact O-N 2.86Å; Q161-S164 PolarHBondContact O-N 3.3Å; Q161-Q165 VanDerWaalsContact O-CG 3.31Å; Q161-Q165 WeakPolarHBondContact O-CG 3.18Å; Q161-Q165 PolarHBondContact O-N 2.87Å; Q161-Q165 VanDerWaalsContact O-N 3.16Å
162	K	89.4	Confident	78.3	Confident	120 Å²	120	80.7 Å²	80.7	52%	0.522	46%	0.457	S	S	.	.	H	α-helix	trans	-65.8	-41.1	178.2	-72.6	-175	-176.3	168.3	0	112.1	S160 S164 Q165 Q573 V574	S160-K162 PolarHBondContact O-N 3.33Å; K162-S164 VanDerWaalsContact C-N 3.35Å; K162-Q165 PolarHBondContact O-N 3.11Å; K162-Q573 HydrophobicContact CB-CB 4.3Å; K162-Q573 WeakPolarHBondContact CB-O 3.44Å; K162-Q573 HydrophobicContact CD-CB 3.99Å; K162-V574 HydrophobicContact CB-CG1 4.46Å
163	Y	93.1	Very high	80.7	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.008	45%	0.452	C	S	.	.	H	α-helix	trans	-61	-44.2	175.5	176.3	-96.7	0	0	0	111.9	S160 Q165 R166 P357 D364 P365 D368 Q573 I606	S160-Y163 PolarHBondContact O-N 2.78Å; Y163-Q165 VanDerWaalsContact C-N 3.32Å; Y163-Q165 PolarHBondContact O-N 2.98Å; Y163-R166 VanDerWaalsContact CE1-NH1 3.3Å; Y163-R166 VanDerWaalsContact CZ-CZ 3.44Å; Y163-R166 WeakPolarHBondContact O-CB 3.35Å; Y163-R166 VanDerWaalsContact O-CD 3.26Å; Y163-R166 WeakPolarHBondContact O-CD 3.4Å; Y163-R166 WeakPolarHBondContact O-CG 3.21Å; Y163-R166 PolarHBondContact O-N 3.18Å; Y163-R166 PolarHBondContact O-NH1 3.17Å; Y163-R166 PolarHBondContact OH-NH2 3.02Å; Y163-P357 HydrophobicContact CG-CG 4.13Å; Y163-D364 HydrophobicContact CD1-CB 3.68Å; Y163-D364 HydrophobicContact CE1-CB 3.54Å; Y163-P365 HydrophobicContact CD2-CG 3.96Å; Y163-P365 HydrophobicContact CE1-CG 4.2Å; Y163-P365 HydrophobicContact CE2-CB 4.01Å; Y163-P365 HydrophobicContact CE2-CG 3.61Å; Y163-P365 HydrophobicContact CG-CG 4.41Å; Y163-P365 VanDerWaalsContact OH-CA 3.32Å; Y163-P365 WeakPolarHBondContact OH-CA 3.31Å; Y163-D368 WeakPolarHBondContact CE1-OD2 3.43Å; Y163-D368 WeakPolarHBondContact OH-CB 3.36Å; Y163-D368 PolarHBondContact OH-OD2 3.45Å; Y163-Q573 PolarHBondContact N-O 2.92Å; Y163-I606 HydrophobicContact CE2-CG2 4.35Å
164	S	90.3	Very high	83	Confident	77 Å²	77	72.5 Å²	72.5	54%	0.538	42%	0.423	S	S	.	.	H	α-helix	trans	-69.3	-28.8	-177.3	-57.9	0	0	0	0	113.2	S160 Q161 K162 R166	S160-S164 WeakPolarHBondContact O-CB 3.13Å; S160-S164 PolarHBondContact O-N 2.9Å; S160-S164 PolarHBondContact O-OG 3Å; Q161-S164 PolarHBondContact O-N 3.3Å; K162-S164 VanDerWaalsContact C-N 3.35Å; S164-R166 VanDerWaalsContact C-N 3.33Å
165	Q	90.6	Very high	85.2	Confident	138 Å²	138	70.9 Å²	70.9	65%	0.645	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	7.3	-178.9	-68.6	178.6	-7.3	0	0	113.9	Q161 K162 Y163	Q161-Q165 VanDerWaalsContact O-CG 3.31Å; Q161-Q165 WeakPolarHBondContact O-CG 3.18Å; Q161-Q165 PolarHBondContact O-N 2.87Å; Q161-Q165 VanDerWaalsContact O-N 3.16Å; K162-Q165 PolarHBondContact O-N 3.11Å; Y163-Q165 VanDerWaalsContact C-N 3.32Å; Y163-Q165 PolarHBondContact O-N 2.98Å
166	R	92.1	Very high	87.1	Confident	59 Å²	59	67.6 Å²	67.6	22%	0.223	39%	0.386	C	S	.	.			trans	-65.9	138.3	-177.5	74	-169.2	-175.5	-73.5	2.5	111.9	Y163 S164 D368 I606	Y163-R166 VanDerWaalsContact CE1-NH1 3.3Å; Y163-R166 VanDerWaalsContact CZ-CZ 3.44Å; Y163-R166 WeakPolarHBondContact O-CB 3.35Å; Y163-R166 VanDerWaalsContact O-CD 3.26Å; Y163-R166 WeakPolarHBondContact O-CD 3.4Å; Y163-R166 WeakPolarHBondContact O-CG 3.21Å; Y163-R166 PolarHBondContact O-N 3.18Å; Y163-R166 PolarHBondContact O-NH1 3.17Å; Y163-R166 PolarHBondContact OH-NH2 3.02Å; S164-R166 VanDerWaalsContact C-N 3.33Å; R166-D368 IonicContact CZ-OD2 3.98Å; R166-D368 IonicContact NH1-OD2 3.15Å; R166-D368 IonicContact NH2-OD1 3.76Å; R166-D368 IonicContact NH2-OD2 2.91Å; R166-D368 PolarHBondContact NH2-OD2 3.31Å; R166-I606 WeakPolarHBondContact CD-O 3.29Å; R166-I606 PolarHBondContact NE-O 3.48Å; R166-I606 PolarHBondContact NE-OXT 2.89Å; R166-I606 PolarHBondContact NH2-OXT 2.68Å
167	S	84.9	Confident	88.7	Confident	129 Å²	129	67.5 Å²	67.5	90%	0.902	39%	0.393	S	S	*	.	S	Bend	trans	-99	-14	180	53	0	0	0	0	114.2
168	G	85.9	Confident	89.6	Confident	17 Å²	17	64.6 Å²	64.6	18%	0.175	38%	0.384	C	S	.	.			trans	-94.2	18.1	-174.3	0	0	0	0	0	115.7	G170 E171 K605	G168-G170 PolarHBondContact O-N 2.76Å; G168-E171 VanDerWaalsContact O-CB 3.25Å; G168-E171 WeakPolarHBondContact O-CB 3.41Å; G168-E171 PolarHBondContact O-N 2.84Å; G168-E171 VanDerWaalsContact O-N 3.13Å; G168-K605 WeakPolarHBondContact O-CB 3.38Å
169	K	92.6	Very high	89.7	Confident	107 Å²	107	62.9 Å²	62.9	47%	0.465	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	123.7	-178.8	179.3	173.6	-163.4	171.9	0	110.6	E171 D368 I606	K169-E171 VanDerWaalsContact C-N 3.34Å; K169-D368 IonicContact NZ-OD1 2.81Å; K169-D368 PolarHBondContact NZ-OD1 2.9Å; K169-D368 IonicContact NZ-OD2 3.86Å; K169-I606 WeakPolarHBondContact CG-OXT 3.47Å
170	G	93.1	Very high	89.2	Confident	35 Å²	35	69.9 Å²	69.9	36%	0.361	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	4.1	179.8	0	0	0	0	0	115.4	G168 V172 V604 K605	G168-G170 PolarHBondContact O-N 2.76Å; G170-V172 PolarHBondContact O-N 3.02Å; G170-V604 WeakPolarHBondContact O-CG1 3.43Å; G170-K605 WeakPolarHBondContact CA-O 3.38Å; G170-K605 PolarHBondContact N-O 2.97Å
171	E	95.9	Very high	88.1	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	44%	0.443	S	S	.	.			trans	-67	127	175.5	-174.8	-168.5	146.5	0	0	110.8	G168 K169 V173 V604 K605	G168-E171 VanDerWaalsContact O-CB 3.25Å; G168-E171 WeakPolarHBondContact O-CB 3.41Å; G168-E171 PolarHBondContact O-N 2.84Å; G168-E171 VanDerWaalsContact O-N 3.13Å; K169-E171 VanDerWaalsContact C-N 3.34Å; E171-V173 HydrophobicContact CG-CG1 4.46Å; E171-V604 CarbonylContact O-C 3.53Å; E171-V604 WeakPolarHBondContact O-CA 3.49Å; E171-K605 HydrophobicContact CB-CB 4.4Å; E171-K605 HydrophobicContact CB-CD 4.14Å; E171-K605 HydrophobicContact CB-CG 4.43Å; E171-K605 PolarHBondContact O-N 2.95Å; E171-K605 IonicContact OE1-NZ 3.11Å; E171-K605 PolarHBondContact OE1-NZ 2.83Å; E171-K605 WeakPolarHBondContact OE2-CE 3.35Å; E171-K605 IonicContact OE2-NZ 3.95Å; E171-K605 PolarHBondContact OE2-NZ 3.17Å
172	V	96.3	Very high	87.4	Confident	58 Å²	58	70.8 Å²	70.8	35%	0.352	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.8	173.4	180	0	0	0	0	109	G170 V174 Q602 V604	G170-V172 PolarHBondContact O-N 3.02Å; V172-V174 WeakPolarHBondContact CG1-O 3.5Å; V172-Q602 HydrophobicContact CG1-CB 4.25Å; V172-Q602 HydrophobicContact CG1-CG 4.02Å; V172-V604 HydrophobicContact CG2-CG2 4.24Å
173	V	96.7	Very high	86.8	Confident	31 Å²	31	70.7 Å²	70.7	19%	0.188	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-22	-175.4	-67.8	0	0	0	0	113.8	E171 Y553 T577 V603 K605	E171-V173 HydrophobicContact CG-CG1 4.46Å; V173-Y553 HydrophobicContact CB-CD2 4.32Å; V173-Y553 HydrophobicContact CB-CE1 4.41Å; V173-Y553 HydrophobicContact CB-CE2 3.47Å; V173-Y553 VanDerWaalsContact CB-CE2 3.47Å; V173-Y553 WeakPolarHBondContact CB-OH 3.46Å; V173-Y553 HydrophobicContact CG1-CE2 4.48Å; V173-Y553 HydrophobicContact CG2-CD1 4.28Å; V173-Y553 HydrophobicContact CG2-CD2 3.67Å; V173-Y553 HydrophobicContact CG2-CE1 3.93Å; V173-Y553 HydrophobicContact CG2-CE2 3.29Å; V173-Y553 HydrophobicContact CG2-CG 4.18Å; V173-Y553 VanDerWaalsContact CG2-CZ 3.43Å; V173-T577 HydrophobicContact CG2-CG2 4.02Å; V173-V603 HydrophobicContact CG2-CB 3.94Å; V173-V603 HydrophobicContact CG2-CG1 3.77Å; V173-V603 VanDerWaalsContact CG2-O 3.27Å; V173-V603 WeakPolarHBondContact CG2-O 3.18Å; V173-V603 PolarHBondContact N-O 3.45Å; V173-K605 HydrophobicContact CG1-CD 4.21Å; V173-K605 HydrophobicContact CG1-CG 3.89Å
174	V	96.8	Very high	86.5	Confident	31 Å²	31	72 Å²	72	19%	0.188	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146	171.9	172.3	0	0	0	0	109.3	V172 Y553 V555 Q602 V603	V172-V174 WeakPolarHBondContact CG1-O 3.5Å; V174-Y553 HydrophobicContact CB-CD2 4.45Å; V174-Y553 HydrophobicContact CG2-CD2 3.44Å; V174-Y553 VanDerWaalsContact CG2-CD2 3.44Å; V174-Y553 HydrophobicContact CG2-CE2 3.7Å; V174-V555 HydrophobicContact CG1-CB 4.16Å; V174-V555 HydrophobicContact CG1-CG2 4.01Å; V174-Q602 VanDerWaalsContact O-CA 3.27Å; V174-Q602 WeakPolarHBondContact O-CA 3.27Å; V174-V603 HydrophobicContact CB-CB 4.01Å; V174-V603 HydrophobicContact CB-CG2 4.07Å; V174-V603 PolarHBondContact N-O 3.23Å; V174-V603 PolarHBondContact O-N 2.86Å
175	S	96.1	Very high	86.2	Confident	66 Å²	66	70.6 Å²	70.6	46%	0.462	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	139.1	177.4	-80.7	0	0	0	0	109.4	Q602	S175-Q602 PolarHBondContact OG-NE2 3.33Å
176	F	95.1	Very high	85.6	Confident	47 Å²	47	64.3 Å²	64.3	21%	0.206	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144.2	178.9	173.9	-90.6	0	0	0	109.8	V555 D557 V562 T600 A601	F176-V555 HydrophobicContact CB-CB 3.78Å; F176-V555 HydrophobicContact CB-CG1 3.46Å; F176-V555 VanDerWaalsContact CB-CG1 3.46Å; F176-V555 HydrophobicContact CD1-CG1 3.94Å; F176-V555 HydrophobicContact CD2-CG1 3.85Å; F176-V555 HydrophobicContact CG-CB 4.26Å; F176-V555 HydrophobicContact CG-CG1 3.47Å; F176-V555 VanDerWaalsContact CG-CG1 3.47Å; F176-D557 HydrophobicContact CE2-CB 4.13Å; F176-D557 HydrophobicContact CZ-CB 4.23Å; F176-V562 HydrophobicContact CD1-CG1 4.43Å; F176-V562 HydrophobicContact CE1-CG1 4.13Å; F176-V562 HydrophobicContact CE1-CG2 4Å; F176-V562 HydrophobicContact CZ-CG1 4.43Å; F176-V562 HydrophobicContact CZ-CG2 4.01Å; F176-T600 VanDerWaalsContact O-CA 3.26Å; F176-T600 WeakPolarHBondContact O-CA 3.46Å; F176-T600 WeakPolarHBondContact O-CB 3.44Å; F176-T600 PolarHBondContact O-OG1 3.1Å; F176-A601 HydrophobicContact CB-CB 4.41Å; F176-A601 PolarHBondContact N-O 3.25Å; F176-A601 PolarHBondContact O-N 2.9Å; F176-A601 VanDerWaalsContact O-N 3.08Å
177	G	90.1	Very high	84.8	Confident	49 Å²	49	63.6 Å²	63.6	51%	0.505	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.3	-164.4	-177.5	0	0	0	0	0	113.8	V179	G177-V179 PolarHBondContact O-N 3.11Å; G177-V179 VanDerWaalsContact O-N 3.13Å
178	A	81.9	Confident	83.7	Confident	83 Å²	83	66 Å²	66	69%	0.686	39%	0.387	S	S	*	.			trans	-82.4	89.6	-178.2	0	0	0	0	0	111.2
179	V	74.8	Confident	82.7	Confident	41 Å²	41	70.2 Å²	70.2	25%	0.248	41%	0.405	C	S	.	.			trans	-75	-22.8	-176	-174.3	0	0	0	0	113.4	G177 G181 A182	G177-V179 PolarHBondContact O-N 3.11Å; G177-V179 VanDerWaalsContact O-N 3.13Å; V179-G181 PolarHBondContact O-N 2.87Å; V179-A182 WeakPolarHBondContact O-CB 3.3Å; V179-A182 PolarHBondContact O-N 3.02Å
180	Q	65.4	Low	80.8	Confident	194 Å²	194	69.7 Å²	69.7	91%	0.907	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	120.2	-176.6	-67.5	-174.1	-4.8	0	0	110.9
181	G	61.8	Low	78.5	Confident	85 Å²	85	71.1 Å²	71.1	88%	0.876	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	0.6	-179.2	0	0	0	0	0	115.2	V179 R183	V179-G181 PolarHBondContact O-N 2.87Å; G181-R183 PolarHBondContact O-N 2.77Å
182	A	71.6	Confident	76.7	Confident	26 Å²	26	69 Å²	69	22%	0.215	43%	0.425	C	S	.	.			trans	-64.7	117.7	176.9	0	0	0	0	0	111.4	V179 W184 L582 T600	V179-A182 WeakPolarHBondContact O-CB 3.3Å; V179-A182 PolarHBondContact O-N 3.02Å; A182-W184 HydrophobicContact CB-CZ2 4.31Å; A182-W184 PolarHBondContact O-N 3.41Å; A182-L582 HydrophobicContact CB-CD1 3.81Å; A182-T600 HydrophobicContact CB-CG2 4Å
183	R	78.2	Confident	75.3	Confident	118 Å²	118	69.2 Å²	69.2	45%	0.445	44%	0.439	S	S	.	.			trans	-85.6	102.4	174.5	-168.1	178.8	75.5	114.2	-2.5	109	G181 T185 G186	G181-R183 PolarHBondContact O-N 2.77Å; R183-T185 WeakPolarHBondContact CD-OG1 3.33Å; R183-T185 VanDerWaalsContact CG-OG1 3.3Å; R183-T185 WeakPolarHBondContact CG-OG1 3.43Å; R183-T185 PolarHBondContact NE-OG1 3.3Å; R183-T185 PolarHBondContact NH1-OG1 3.12Å; R183-T185 PolarHBondContact O-N 3.4Å; R183-G186 PolarHBondContact NH2-O 2.8Å
184	W	85.8	Confident	74.6	Confident	30 Å²	30	68.9 Å²	68.9	11%	0.114	44%	0.437	C	S	.	.			trans	-77.3	50.3	176.4	-60.2	99.9	0	0	0	112.5	A182 N347 R580 L582 T600 Q602	A182-W184 HydrophobicContact CB-CZ2 4.31Å; A182-W184 PolarHBondContact O-N 3.41Å; W184-N347 PolarHBondContact O-ND2 2.82Å; W184-R580 VanDerWaalsContact CD2-CD 3.48Å; W184-R580 HydrophobicContact CD2-CG 4.05Å; W184-R580 VanDerWaalsContact CD2-NE 3.25Å; W184-R580 HydrophobicContact CE3-CB 3.8Å; W184-R580 HydrophobicContact CE3-CG 3.46Å; W184-R580 VanDerWaalsContact CE3-CG 3.46Å; W184-R580 VanDerWaalsContact CG-CZ 3.42Å; W184-R580 HydrophobicContact CH2-CG 3.97Å; W184-R580 HydrophobicContact CZ3-CB 3.73Å; W184-R580 HydrophobicContact CZ3-CG 3.42Å; W184-R580 VanDerWaalsContact CZ3-CG 3.42Å; W184-R580 WeakPolarHBondContact CZ3-O 3.44Å; W184-L582 HydrophobicContact CE3-CG 4.29Å; W184-L582 HydrophobicContact CZ3-CG 4.08Å; W184-T600 HydrophobicContact CH2-CG2 4.06Å; W184-T600 HydrophobicContact CZ2-CG2 4.23Å; W184-Q602 VanDerWaalsContact CE2-OE1 3.31Å; W184-Q602 HydrophobicContact CH2-CB 4.12Å; W184-Q602 HydrophobicContact CH2-CG 3.97Å; W184-Q602 HydrophobicContact CZ2-CB 4.04Å; W184-Q602 VanDerWaalsContact CZ2-CD 3.43Å; W184-Q602 HydrophobicContact CZ2-CG 3.5Å; W184-Q602 VanDerWaalsContact CZ2-CG 3.5Å
185	T	84.6	Confident	74.2	Confident	48 Å²	48	73.5 Å²	73.5	29%	0.294	46%	0.457	S	S	.	.			trans	-138.9	134.3	171.8	61.4	0	0	0	0	110.4	R183 N347 D376	R183-T185 WeakPolarHBondContact CD-OG1 3.33Å; R183-T185 VanDerWaalsContact CG-OG1 3.3Å; R183-T185 WeakPolarHBondContact CG-OG1 3.43Å; R183-T185 PolarHBondContact NE-OG1 3.3Å; R183-T185 PolarHBondContact NH1-OG1 3.12Å; R183-T185 PolarHBondContact O-N 3.4Å; T185-N347 PolarHBondContact N-ND2 2.91Å; T185-D376 WeakPolarHBondContact CA-O 3.48Å; T185-D376 WeakPolarHBondContact CB-O 3.46Å
186	G	78.6	Confident	73.9	Confident	5 Å²	5	71 Å²	71	5%	0.052	44%	0.438	C	S	.	.			trans	-66.7	-176.2	-179.6	0	0	0	0	0	113.8	R183 D376 R377 D379	R183-G186 PolarHBondContact NH2-O 2.8Å; G186-D376 PolarHBondContact N-O 3.03Å; G186-R377 WeakPolarHBondContact CA-O 3.41Å; G186-R377 PolarHBondContact N-O 3.44Å; G186-D379 WeakPolarHBondContact CA-OD2 3.39Å
187	R	75.6	Confident	73.8	Confident	44 Å²	44	73 Å²	73	17%	0.166	45%	0.451	C	S	.	.			trans	-66.8	144.6	-177.3	-60.6	-169.4	-65.5	-159.1	6.7	110.3	D189 A192 E344 D379	R187-D189 VanDerWaalsContact C-N 3.3Å; R187-D189 PolarHBondContact O-N 2.87Å; R187-A192 PolarHBondContact NH2-O 3.11Å; R187-E344 WeakPolarHBondContact CD-OE2 3.39Å; R187-E344 HydrophobicContact CG-CG 4.32Å; R187-E344 WeakPolarHBondContact CG-OE2 3.3Å; R187-D379 WeakPolarHBondContact CB-OD1 3.05Å; R187-D379 WeakPolarHBondContact CG-OD1 3.45Å; R187-D379 PolarHBondContact N-OD1 2.79Å; R187-D379 IonicContact NE-OD1 3.73Å
188	K	61	Low	74	Confident	181 Å²	181	72.5 Å²	72.5	79%	0.787	44%	0.437	S	S	*	.	S	Bend	trans	-76.2	-18.5	-176.5	-75.6	-173.7	179	178.7	0	113.2	P190	K188-P190 WeakPolarHBondContact O-CD 3.49Å
189	D	63.9	Low	74.4	Confident	104 Å²	104	70.5 Å²	70.5	56%	0.556	41%	0.414	S	S	*	.			trans	-101.4	107.2	-177	-170.2	-1.2	0	0	0	111.1	R187 G191	R187-D189 VanDerWaalsContact C-N 3.3Å; R187-D189 PolarHBondContact O-N 2.87Å; D189-G191 PolarHBondContact O-N 3.05Å; D189-G191 PolarHBondContact OD1-N 3.34Å
190	P	52.4	Low	75	Confident	97 Å²	97	69.7 Å²	69.7	63%	0.63	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.2	174.5	-15	29.8	0	0	0	113.6	K188	K188-P190 WeakPolarHBondContact O-CD 3.49Å
191	G	45.5	Very low	75.5	Confident	64 Å²	64	66.5 Å²	66.5	66%	0.66	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-17.2	-178.1	0	0	0	0	0	114.9	D189 G193	D189-G191 PolarHBondContact O-N 3.05Å; D189-G191 PolarHBondContact OD1-N 3.34Å; G191-G193 PolarHBondContact O-N 3.07Å
192	A	57.8	Low	75.9	Confident	48 Å²	48	65.8 Å²	65.8	40%	0.397	37%	0.373	S	S	.	.	S	Bend	trans	-83.5	69.2	172.5	0	0	0	0	0	109.6	R187 V194	R187-A192 PolarHBondContact NH2-O 3.11Å; A192-V194 PolarHBondContact O-N 3.36Å
193	G	68.5	Low	75.7	Confident	62 Å²	62	72.1 Å²	72.1	64%	0.639	40%	0.403	S	S	*	.			trans	-50	130	-173.7	0	0	0	0	0	112.8	G191	G191-G193 PolarHBondContact O-N 3.07Å
194	V	81.8	Confident	75.6	Confident	23 Å²	23	71.8 Å²	71.8	14%	0.139	41%	0.407	C	S	.	.			trans	-74.9	127.5	173.8	-178	0	0	0	0	108.6	A192 V196 L346 D379 V380 I472	A192-V194 PolarHBondContact O-N 3.36Å; V194-V196 HydrophobicContact CG1-CG2 4Å; V194-V196 PolarHBondContact O-N 2.77Å; V194-L346 HydrophobicContact CG1-CD1 4.15Å; V194-L346 HydrophobicContact CG2-CD2 4.07Å; V194-D379 HydrophobicContact CG2-CB 4.05Å; V194-V380 HydrophobicContact CB-CG2 4.27Å; V194-V380 HydrophobicContact CG1-CG2 3.72Å; V194-V380 HydrophobicContact CG2-CG2 4.39Å; V194-I472 HydrophobicContact CG1-CG2 3.89Å
195	Q	86.7	Confident	75.4	Confident	129 Å²	129	70.9 Å²	70.9	60%	0.603	41%	0.405	S	S	*	.			trans	-78.6	114.5	173.6	-65.7	-170.2	-0.5	0	0	109.6	I472 D473	Q195-I472 WeakPolarHBondContact O-CA 3.5Å; Q195-D473 PolarHBondContact O-N 3.12Å
196	V	91.8	Very high	75.6	Confident	13 Å²	13	69 Å²	69	8%	0.079	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	110.1	174.9	-178.3	0	0	0	0	108.1	V194 V380 V427 I472	V194-V196 HydrophobicContact CG1-CG2 4Å; V194-V196 PolarHBondContact O-N 2.77Å; V196-V380 HydrophobicContact CG2-CG2 4.29Å; V196-V427 HydrophobicContact CG1-CG2 3.95Å; V196-I472 HydrophobicContact CG1-CG1 4.43Å; V196-I472 HydrophobicContact CG2-CG1 4.45Å; V196-I472 HydrophobicContact CG2-CG2 4.47Å
197	N	92.6	Very high	76.1	Confident	88 Å²	88	75.9 Å²	75.9	47%	0.471	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152	-178.8	-61.7	-57.2	0	0	0	110.6	L470 L471	N197-L470 CarbonylContact O-C 3.56Å; N197-L470 WeakPolarHBondContact O-CA 3.06Å; N197-L471 PolarHBondContact N-O 3.49Å; N197-L471 VanDerWaalsContact N-O 3.07Å; N197-L471 PolarHBondContact O-N 2.9Å
198	L	93	Very high	76.7	Confident	39 Å²	39	77.7 Å²	77.7	20%	0.204	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	139.7	162.7	-71.9	162.9	0	0	0	108.8	E200 V464 C468 L470	L198-E200 VanDerWaalsContact C-N 3.35Å; L198-V464 HydrophobicContact CD2-CG1 4.46Å; L198-C468 HydrophobicContact CD2-CB 3.79Å; L198-L470 HydrophobicContact CD2-CD2 3.56Å; L198-L470 HydrophobicContact CG-CD2 3.98Å
199	L	91.6	Very high	78.1	Confident	42 Å²	42	71.1 Å²	71.1	22%	0.22	42%	0.42	C	S	.	.	S	Bend	trans	-70.3	-36.5	177.3	-175.2	64.7	0	0	0	111.3	T469 T476 L539 V540	L199-T469 HydrophobicContact CB-CG2 3.99Å; L199-T469 WeakPolarHBondContact CB-O 3.39Å; L199-T469 HydrophobicContact CD2-CG2 3.67Å; L199-T469 HydrophobicContact CG-CG2 4.5Å; L199-T469 PolarHBondContact N-O 3.34Å; L199-T476 HydrophobicContact CD2-CG2 4.32Å; L199-L539 HydrophobicContact CB-CD1 4.32Å; L199-L539 HydrophobicContact CD2-CB 4.31Å; L199-L539 HydrophobicContact CD2-CD1 4.11Å; L199-L539 HydrophobicContact CG-CD1 4.16Å; L199-V540 HydrophobicContact CD2-CG1 4.44Å; L199-V540 HydrophobicContact CD2-CG2 3.8Å
200	E	85.8	Confident	79.5	Confident	23 Å²	23	67.6 Å²	67.6	11%	0.107	40%	0.399	C	S	.	.	S	Bend	trans	-58.1	144.4	171.2	-97.2	145.8	-135.7	0	0	112	L198 E204 S205 L539	L198-E200 VanDerWaalsContact C-N 3.35Å; E200-E204 HydrophobicContact CG-CB 4.45Å; E200-S205 WeakPolarHBondContact OE2-CA 3.33Å; E200-L539 HydrophobicContact CB-CD1 4.47Å; E200-L539 HydrophobicContact CG-CD1 3.7Å
201	Q	75.9	Confident	81.4	Confident	127 Å²	127	72.5 Å²	72.5	59%	0.593	41%	0.411	S	S	*	.			trans	-65.1	153	172.1	-65.1	-162.6	-7.6	0	0	110.8	D203 E204 S205	Q201-D203 PolarHBondContact O-N 2.82Å; Q201-D203 VanDerWaalsContact O-N 3.08Å; Q201-E204 PolarHBondContact O-N 2.93Å; Q201-S205 PolarHBondContact O-N 3.08Å; Q201-S205 PolarHBondContact O-OG 2.91Å
202	P	70.8	Confident	83.6	Confident	71 Å²	71	73 Å²	73	46%	0.461	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.4	-178.5	-31.2	36.9	0	0	0	115.6	E204 S205 R207	P202-E204 VanDerWaalsContact C-N 3.33Å; P202-S205 PolarHBondContact O-OG 3.1Å; P202-R207 VanDerWaalsContact CA-NH2 3.31Å; P202-R207 VanDerWaalsContact CB-NH2 3.35Å; P202-R207 PolarHBondContact O-NE 3.34Å
203	D	68.7	Low	85.1	Confident	159 Å²	159	79.1 Å²	79.1	85%	0.85	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-18.2	-177	-62	-26.3	0	0	0	113	Q201	Q201-D203 PolarHBondContact O-N 2.82Å; Q201-D203 VanDerWaalsContact O-N 3.08Å
204	E	76	Confident	86.4	Confident	111 Å²	111	83 Å²	83	52%	0.519	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-24.4	-178.4	-62.8	175.8	158.9	0	0	111.9	E200 Q201 P202 H535	E200-E204 HydrophobicContact CG-CB 4.45Å; Q201-E204 PolarHBondContact O-N 2.93Å; P202-E204 VanDerWaalsContact C-N 3.33Å; E204-H535 PolarHBondContact O-CE1 2.84Å; E204-H535 PolarHBondContact O-ND1 3.37Å
205	S	80.4	Confident	87	Confident	10 Å²	10	85.2 Å²	85.2	7%	0.07	42%	0.424	C	S	.	.	S	Bend	trans	-72.7	139.9	-178.6	60.8	0	0	0	0	113.7	E200 Q201 P202 R207	E200-S205 WeakPolarHBondContact OE2-CA 3.33Å; Q201-S205 PolarHBondContact O-N 3.08Å; Q201-S205 PolarHBondContact O-OG 2.91Å; P202-S205 PolarHBondContact O-OG 3.1Å; S205-R207 PolarHBondContact O-N 3.47Å; S205-R207 VanDerWaalsContact O-N 3.08Å; S205-R207 WeakPolarHBondContact OG-CG 3.49Å; S205-R207 PolarHBondContact OG-NE 2.9Å
206	L	89.8	Confident	87.5	Confident	10 Å²	10	86.2 Å²	86.2	5%	0.052	42%	0.422	C	S	.	.			trans	-71.9	101.8	172.9	-178.9	60.9	0	0	0	110.7	S208 Y210 P442 P444 P445 P465 H535	L206-S208 WeakPolarHBondContact CD1-O 3.44Å; L206-Y210 HydrophobicContact CD1-CD1 3.81Å; L206-Y210 HydrophobicContact CD1-CE1 4.19Å; L206-Y210 HydrophobicContact CD2-CE1 4.11Å; L206-P442 HydrophobicContact CD2-CB 4.32Å; L206-P442 HydrophobicContact CD2-CG 4.45Å; L206-P444 HydrophobicContact CD1-CB 4.47Å; L206-P444 HydrophobicContact CD2-CB 4.34Å; L206-P444 HydrophobicContact CG-CB 4.24Å; L206-P445 VanDerWaalsContact O-CD 3.26Å; L206-P445 WeakPolarHBondContact O-CD 3.36Å; L206-P445 WeakPolarHBondContact O-CG 3.45Å; L206-P465 HydrophobicContact CB-CB 4.06Å; L206-P465 HydrophobicContact CB-CG 4.18Å; L206-P465 HydrophobicContact CD2-CB 4.03Å; L206-P465 HydrophobicContact CG-CB 4.22Å; L206-H535 HydrophobicContact CB-CB 4.35Å
207	R	87.9	Confident	87.7	Confident	149 Å²	149	93 Å²	93	56%	0.562	46%	0.457	S	S	*	.			trans	-108.8	-15.1	-174.9	-69.5	-178.9	175.1	-144.1	-7.5	115.3	P202 S205	P202-R207 VanDerWaalsContact CA-NH2 3.31Å; P202-R207 VanDerWaalsContact CB-NH2 3.35Å; P202-R207 PolarHBondContact O-NE 3.34Å; S205-R207 PolarHBondContact O-N 3.47Å; S205-R207 VanDerWaalsContact O-N 3.08Å; S205-R207 WeakPolarHBondContact OG-CG 3.49Å; S205-R207 PolarHBondContact OG-NE 2.9Å
208	S	89.6	Confident	87.9	Confident	82 Å²	82	97.8 Å²	97.8	57%	0.573	47%	0.469	S	S	*	.	S	Bend	trans	-147.6	160.3	-175.8	61.6	0	0	0	0	111	L206	L206-S208 WeakPolarHBondContact CD1-O 3.44Å
209	G	89.6	Confident	88	Confident	42 Å²	42	97.7 Å²	97.7	43%	0.433	47%	0.468	S	S	.	.			trans	-54.9	151.4	172.5	0	0	0	0	0	113	E438	G209-E438 VanDerWaalsContact CA-OE1 3.29Å; G209-E438 WeakPolarHBondContact CA-OE1 3.34Å
210	Y	93.2	Very high	88.2	Confident	30 Å²	30	96.5 Å²	96.5	12%	0.118	46%	0.463	C	S	.	.			trans	-130.5	167.3	179.6	60.6	-94.9	0	0	0	110.7	L206 Y212 P442 D528 K531	L206-Y210 HydrophobicContact CD1-CD1 3.81Å; L206-Y210 HydrophobicContact CD1-CE1 4.19Å; L206-Y210 HydrophobicContact CD2-CE1 4.11Å; Y210-Y212 VanDerWaalsContact O-CD1 3.3Å; Y210-Y212 WeakPolarHBondContact O-CD1 3.48Å; Y210-Y212 PolarHBondContact O-N 3.1Å; Y210-P442 VanDerWaalsContact CE1-O 3.31Å; Y210-P442 WeakPolarHBondContact CE1-O 3.43Å; Y210-P442 PolarHBondContact OH-O 3.15Å; Y210-D528 HydrophobicContact CE2-CB 4.16Å; Y210-K531 HydrophobicContact CD1-CG 4.42Å; Y210-K531 HydrophobicContact CD2-CD 4.31Å; Y210-K531 HydrophobicContact CD2-CG 3.67Å; Y210-K531 HydrophobicContact CE1-CB 4.4Å; Y210-K531 HydrophobicContact CE1-CG 4.22Å; Y210-K531 HydrophobicContact CE2-CB 4.12Å; Y210-K531 HydrophobicContact CE2-CG 3.46Å; Y210-K531 VanDerWaalsContact CE2-CG 3.46Å; Y210-K531 HydrophobicContact CG-CD 4.43Å; Y210-K531 HydrophobicContact CG-CG 4.14Å
211	K	91.9	Very high	88.7	Confident	201 Å²	201	102.9 Å²	102.9	87%	0.874	49%	0.486	S	S	*	.			trans	-78.4	123.8	177.3	-67.9	-178.9	178.9	178.6	0	109.7
212	Y	92	Very high	89.6	Confident	74 Å²	74	100.2 Å²	100.2	29%	0.29	48%	0.476	S	S	.	.			trans	-123.4	-162.5	171.5	56.4	-95.1	0	0	0	109.4	Y210 F214 E438 I440	Y210-Y212 VanDerWaalsContact O-CD1 3.3Å; Y210-Y212 WeakPolarHBondContact O-CD1 3.48Å; Y210-Y212 PolarHBondContact O-N 3.1Å; Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.28Å; Y212-E438 HydrophobicContact CE1-CB 4.38Å; Y212-E438 HydrophobicContact CE1-CG 4.04Å; Y212-I440 HydrophobicContact CD1-CD1 4.16Å; Y212-I440 HydrophobicContact CD1-CG1 4.42Å; Y212-I440 HydrophobicContact CD2-CD1 3.3Å; Y212-I440 HydrophobicContact CD2-CG1 3.61Å; Y212-I440 HydrophobicContact CE1-CD1 4.1Å; Y212-I440 HydrophobicContact CE2-CD1 3.25Å; Y212-I440 HydrophobicContact CE2-CG1 4.11Å; Y212-I440 HydrophobicContact CG-CB 4.38Å; Y212-I440 HydrophobicContact CG-CD1 3.81Å; Y212-I440 HydrophobicContact CG-CG1 3.82Å
213	M	90.4	Very high	90.8	Very high	176 Å²	176	97.4 Å²	97.4	87%	0.867	46%	0.457	S	S	*	.	S	Bend	trans	74.7	2.7	-175.4	-50.9	-172.4	67.3	0	0	115.9
214	F	94.3	Very high	92	Very high	144 Å²	144	90.8 Å²	90.8	63%	0.632	42%	0.422	S	S	*	.			trans	-148	122.1	172.9	178.6	-93.2	0	0	0	109.5	Y212 R216	Y212-F214 VanDerWaalsContact C-N 3.28Å; Y212-F214 PolarHBondContact O-N 3.28Å; F214-R216 HydrophobicContact CE1-CG 3.52Å; F214-R216 HydrophobicContact CZ-CG 3.76Å
215	Q	95.4	Very high	92.9	Very high	69 Å²	69	86.3 Å²	86.3	32%	0.322	40%	0.403	S	S	.	.			trans	-131.1	138.7	171.8	-70	179.1	84.1	0	0	108	V220 M527	Q215-V220 HydrophobicContact CB-CG2 4.15Å; Q215-M527 PolarHBondContact NE2-O 3.35Å
216	R	96.6	Very high	93.6	Very high	151 Å²	151	89.5 Å²	89.5	57%	0.57	42%	0.416	S	S	*	.			trans	-89.6	132.7	172.8	-54.3	179.2	173.4	163.6	-0.9	108.3	F214 R218 D219 V220	F214-R216 HydrophobicContact CE1-CG 3.52Å; F214-R216 HydrophobicContact CZ-CG 3.76Å; R216-R218 PolarHBondContact O-N 3.39Å; R216-D219 HydrophobicContact CB-CB 4.44Å; R216-D219 VanDerWaalsContact CB-OD2 3.3Å; R216-D219 WeakPolarHBondContact CB-OD2 3.49Å; R216-D219 VanDerWaalsContact CD-OD2 3.31Å; R216-D219 WeakPolarHBondContact CD-OD2 3.36Å; R216-D219 PolarHBondContact O-N 2.97Å; R216-V220 PolarHBondContact O-N 3.46Å; R216-V220 VanDerWaalsContact O-N 3.12Å
217	L	96.4	Very high	93.8	Very high	155 Å²	155	91.1 Å²	91.1	81%	0.812	42%	0.423	S	S	*	.	H	α-helix	trans	-56.3	-28.7	178.8	-61.5	179	0	0	0	113.3	R221	L217-R221 WeakPolarHBondContact O-CB 3.45Å; L217-R221 PolarHBondContact O-N 3.04Å
218	R	96.3	Very high	94.1	Very high	188 Å²	188	84.3 Å²	84.3	71%	0.709	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-43.2	174.7	-170.7	-170.2	-43.5	-167.3	5.5	112.2	R216 R221 N222	R216-R218 PolarHBondContact O-N 3.39Å; R218-R221 WeakPolarHBondContact O-CB 3.4Å; R218-R221 PolarHBondContact O-N 3.08Å; R218-N222 PolarHBondContact O-N 2.98Å; R218-N222 PolarHBondContact O-OD1 3.12Å
219	D	95.9	Very high	94.3	Very high	37 Å²	37	83.2 Å²	83.2	20%	0.198	38%	0.384	C	S	.	.	H	α-helix	trans	-71.8	-40	-176.7	-55.1	-22.7	0	0	0	109	R216 R221 N222 V223 E530	R216-D219 HydrophobicContact CB-CB 4.44Å; R216-D219 VanDerWaalsContact CB-OD2 3.3Å; R216-D219 WeakPolarHBondContact CB-OD2 3.49Å; R216-D219 VanDerWaalsContact CD-OD2 3.31Å; R216-D219 WeakPolarHBondContact CD-OD2 3.36Å; R216-D219 PolarHBondContact O-N 2.97Å; D219-R221 PolarHBondContact O-N 3.07Å; D219-N222 WeakPolarHBondContact O-CB 3.38Å; D219-N222 PolarHBondContact O-N 3Å; D219-N222 VanDerWaalsContact O-N 3.17Å; D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.26Å; D219-V223 PolarHBondContact O-N 3.19Å; D219-E530 HydrophobicContact CB-CG 4.19Å
220	V	95.9	Very high	94.6	Very high	18 Å²	18	87 Å²	87	11%	0.109	39%	0.39	C	S	.	.	H	α-helix	trans	-58.7	-45.8	170.2	179.1	0	0	0	0	111.8	Q215 R216 N222 V223 L224 Y529	Q215-V220 HydrophobicContact CB-CG2 4.15Å; R216-V220 PolarHBondContact O-N 3.46Å; R216-V220 VanDerWaalsContact O-N 3.12Å; V220-N222 VanDerWaalsContact C-N 3.29Å; V220-N222 PolarHBondContact O-N 3.42Å; V220-V223 PolarHBondContact O-N 2.85Å; V220-L224 HydrophobicContact CG1-CD1 4.06Å; V220-L224 WeakPolarHBondContact O-CG 3.39Å; V220-L224 PolarHBondContact O-N 3.2Å; V220-L224 VanDerWaalsContact O-N 3.1Å; V220-Y529 HydrophobicContact CB-CD2 4.41Å; V220-Y529 HydrophobicContact CG1-CD2 3.61Å; V220-Y529 HydrophobicContact CG1-CE2 4.05Å; V220-Y529 HydrophobicContact CG1-CG 3.95Å; V220-Y529 HydrophobicContact CG2-CD2 3.97Å
221	R	94.8	Very high	94.6	Very high	157 Å²	157	86.3 Å²	86.3	59%	0.592	39%	0.388	S	S	*	.	H	α-helix	trans	-59.1	-41.4	176	174.5	-173	160	-172.6	-5.4	111.6	L217 R218 D219 L224 S225	L217-R221 WeakPolarHBondContact O-CB 3.45Å; L217-R221 PolarHBondContact O-N 3.04Å; R218-R221 WeakPolarHBondContact O-CB 3.4Å; R218-R221 PolarHBondContact O-N 3.08Å; D219-R221 PolarHBondContact O-N 3.07Å; R221-L224 PolarHBondContact O-N 3.02Å; R221-S225 WeakPolarHBondContact O-CB 3.39Å; R221-S225 PolarHBondContact O-N 2.99Å; R221-S225 PolarHBondContact O-OG 3.17Å
222	N	95.1	Very high	94.7	Very high	70 Å²	70	76.8 Å²	76.8	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-47.9	179.3	-66.7	-9.9	0	0	0	110.5	R218 D219 V220 L224 S225 E226	R218-N222 PolarHBondContact O-N 2.98Å; R218-N222 PolarHBondContact O-OD1 3.12Å; D219-N222 WeakPolarHBondContact O-CB 3.38Å; D219-N222 PolarHBondContact O-N 3Å; D219-N222 VanDerWaalsContact O-N 3.17Å; V220-N222 VanDerWaalsContact C-N 3.29Å; V220-N222 PolarHBondContact O-N 3.42Å; N222-L224 VanDerWaalsContact C-N 3.29Å; N222-L224 PolarHBondContact O-N 3.22Å; N222-S225 WeakPolarHBondContact O-CB 3.39Å; N222-S225 PolarHBondContact O-N 3.17Å; N222-E226 WeakPolarHBondContact O-CB 3.3Å; N222-E226 WeakPolarHBondContact O-CG 3.49Å; N222-E226 PolarHBondContact O-N 2.97Å
223	V	95.8	Very high	94.8	Very high	12 Å²	12	77.4 Å²	77.4	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-53	-46.9	175.6	172.5	0	0	0	0	111.6	D219 V220 S225 K227 E530 Q533	D219-V223 VanDerWaalsContact O-CG2 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.26Å; D219-V223 PolarHBondContact O-N 3.19Å; V220-V223 PolarHBondContact O-N 2.85Å; V223-S225 VanDerWaalsContact C-N 3.35Å; V223-K227 WeakPolarHBondContact O-CB 3.36Å; V223-K227 PolarHBondContact O-N 3.26Å; V223-E530 HydrophobicContact CG2-CG 4.39Å; V223-Q533 HydrophobicContact CG1-CB 3.86Å; V223-Q533 HydrophobicContact CG1-CG 4.21Å; V223-Q533 HydrophobicContact CG2-CB 4.47Å
224	L	94.5	Very high	95	Very high	20 Å²	20	74.3 Å²	74.3	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-34.7	-179.5	-65.1	168.6	0	0	0	112.6	V220 R221 N222 I228 Y519	V220-L224 HydrophobicContact CG1-CD1 4.06Å; V220-L224 WeakPolarHBondContact O-CG 3.39Å; V220-L224 PolarHBondContact O-N 3.2Å; V220-L224 VanDerWaalsContact O-N 3.1Å; R221-L224 PolarHBondContact O-N 3.02Å; N222-L224 VanDerWaalsContact C-N 3.29Å; N222-L224 PolarHBondContact O-N 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.32Å; L224-I228 PolarHBondContact O-N 2.92Å; L224-Y519 HydrophobicContact CD1-CE1 3.95Å; L224-Y519 HydrophobicContact CD1-CE2 3.79Å; L224-Y519 WeakPolarHBondContact CD1-OH 3.3Å; L224-Y519 HydrophobicContact CD2-CD1 4.28Å; L224-Y519 HydrophobicContact CD2-CD2 3.85Å; L224-Y519 HydrophobicContact CD2-CE1 4.23Å; L224-Y519 HydrophobicContact CD2-CE2 3.78Å; L224-Y519 HydrophobicContact CD2-CG 4.11Å; L224-Y519 HydrophobicContact CG-CE2 4.42Å
225	S	94.3	Very high	95	Very high	17 Å²	17	67.8 Å²	67.8	12%	0.119	31%	0.306	C	S	.	.	H	α-helix	trans	-69.7	-48	177	-56.3	0	0	0	0	111	R221 N222 V223 K227 I228 E229 P280	R221-S225 WeakPolarHBondContact O-CB 3.39Å; R221-S225 PolarHBondContact O-N 2.99Å; R221-S225 PolarHBondContact O-OG 3.17Å; N222-S225 WeakPolarHBondContact O-CB 3.39Å; N222-S225 PolarHBondContact O-N 3.17Å; V223-S225 VanDerWaalsContact C-N 3.35Å; S225-K227 VanDerWaalsContact C-N 3.28Å; S225-K227 PolarHBondContact O-N 3.39Å; S225-I228 WeakPolarHBondContact O-CB 3.26Å; S225-I228 PolarHBondContact O-N 3.19Å; S225-E229 WeakPolarHBondContact O-CG 3.39Å; S225-E229 PolarHBondContact O-N 3.44Å; S225-P280 WeakPolarHBondContact OG-CG 3.46Å
226	E	94.9	Very high	94.9	Very high	77 Å²	77	68.7 Å²	68.7	36%	0.36	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-40.3	177.3	-72.2	172.4	-160.4	0	0	110.8	N222 I228 E229 E230 Q533	N222-E226 WeakPolarHBondContact O-CB 3.3Å; N222-E226 WeakPolarHBondContact O-CG 3.49Å; N222-E226 PolarHBondContact O-N 2.97Å; E226-I228 VanDerWaalsContact C-N 3.31Å; E226-I228 PolarHBondContact O-N 2.92Å; E226-E229 PolarHBondContact O-N 3.36Å; E226-E230 VanDerWaalsContact O-CB 3.31Å; E226-E230 WeakPolarHBondContact O-CB 3.2Å; E226-E230 VanDerWaalsContact O-CG 3.3Å; E226-E230 WeakPolarHBondContact O-CG 3.36Å; E226-E230 PolarHBondContact O-N 3.26Å; E226-Q533 PolarHBondContact OE2-NE2 3.31Å
227	K	95	Very high	94.8	Very high	45 Å²	45	65.7 Å²	65.7	20%	0.196	31%	0.308	C	S	.	.	H	α-helix	trans	-54.6	-43.5	172.3	173.4	-175.7	169.3	-171.7	0	112.7	V223 S225 M231 G302 V304 P517	V223-K227 WeakPolarHBondContact O-CB 3.36Å; V223-K227 PolarHBondContact O-N 3.26Å; S225-K227 VanDerWaalsContact C-N 3.28Å; S225-K227 PolarHBondContact O-N 3.39Å; K227-M231 WeakPolarHBondContact O-CB 3.36Å; K227-M231 PolarHBondContact O-N 3.06Å; K227-G302 PolarHBondContact NZ-O 3.47Å; K227-V304 HydrophobicContact CD-CG2 4.43Å; K227-V304 HydrophobicContact CG-CG2 4.08Å; K227-P517 PolarHBondContact NZ-O 3.28Å
228	I	95	Very high	94.7	Very high	5 Å²	5	63 Å²	63	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-47.3	-179.8	-64.2	167.8	0	0	0	109.8	L224 S225 E226 G232 L258 Q260 V304	L224-I228 WeakPolarHBondContact O-CG1 3.32Å; L224-I228 PolarHBondContact O-N 2.92Å; S225-I228 WeakPolarHBondContact O-CB 3.26Å; S225-I228 PolarHBondContact O-N 3.19Å; E226-I228 VanDerWaalsContact C-N 3.31Å; E226-I228 PolarHBondContact O-N 2.92Å; I228-G232 PolarHBondContact O-N 3.41Å; I228-L258 HydrophobicContact CG2-CD1 4.47Å; I228-L258 HydrophobicContact CG2-CD2 3.94Å; I228-L258 HydrophobicContact CG2-CG 3.86Å; I228-Q260 HydrophobicContact CD1-CB 3.81Å; I228-Q260 HydrophobicContact CG1-CB 4.09Å; I228-V304 HydrophobicContact CG1-CG2 4.24Å; I228-V304 HydrophobicContact CG2-CG1 4.48Å
229	E	94	Very high	94.6	Very high	60 Å²	60	57.1 Å²	57.1	28%	0.28	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-48.4	-176.7	-69.7	167.7	-170.1	0	0	112	S225 E226 M231 G232 E233 P280	S225-E229 WeakPolarHBondContact O-CG 3.39Å; S225-E229 PolarHBondContact O-N 3.44Å; E226-E229 PolarHBondContact O-N 3.36Å; E229-M231 PolarHBondContact O-N 3.03Å; E229-G232 WeakPolarHBondContact O-CA 3.33Å; E229-G232 PolarHBondContact O-N 3.4Å; E229-G232 VanDerWaalsContact O-N 3.17Å; E229-E233 PolarHBondContact O-N 3.02Å; E229-P280 WeakPolarHBondContact OE1-CD 3.29Å
230	E	94	Very high	94.6	Very high	121 Å²	121	60.4 Å²	60.4	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-60.2	-46.4	179	-74.2	-177	178	0	0	111.9	E226 G232 K234	E226-E230 VanDerWaalsContact O-CB 3.31Å; E226-E230 WeakPolarHBondContact O-CB 3.2Å; E226-E230 VanDerWaalsContact O-CG 3.3Å; E226-E230 WeakPolarHBondContact O-CG 3.36Å; E226-E230 PolarHBondContact O-N 3.26Å; E230-G232 VanDerWaalsContact C-N 3.33Å; E230-K234 WeakPolarHBondContact O-CG 3.14Å; E230-K234 PolarHBondContact O-N 2.91Å
231	M	94.6	Very high	94.4	Very high	16 Å²	16	60.6 Å²	60.6	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-38.9	176.9	-170	67.6	65.2	0	0	111.1	K227 E229 E233 K234 L235 V304 Q512 R513	K227-M231 WeakPolarHBondContact O-CB 3.36Å; K227-M231 PolarHBondContact O-N 3.06Å; E229-M231 PolarHBondContact O-N 3.03Å; M231-E233 PolarHBondContact O-N 3.47Å; M231-K234 PolarHBondContact O-N 3.3Å; M231-L235 HydrophobicContact CG-CD1 4.09Å; M231-L235 HydrophobicContact CG-CG 4.41Å; M231-L235 WeakPolarHBondContact O-CG 3.25Å; M231-L235 PolarHBondContact O-N 2.84Å; M231-V304 HydrophobicContact CB-CB 4.32Å; M231-V304 HydrophobicContact CB-CG1 3.93Å; M231-V304 HydrophobicContact CG-CB 4.1Å; M231-V304 HydrophobicContact CG-CG1 3.93Å; M231-Q512 WeakPolarHBondContact CE-O 3.36Å; M231-R513 HydrophobicContact CE-CB 4.28Å; M231-R513 HydrophobicContact CE-CG 4.04Å
232	G	93.9	Very high	94.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-53.7	-50.5	175.7	0	0	0	0	0	112.7	I228 E229 E230 K234 L235 R236 F244 L258	I228-G232 PolarHBondContact O-N 3.41Å; E229-G232 WeakPolarHBondContact O-CA 3.33Å; E229-G232 PolarHBondContact O-N 3.4Å; E229-G232 VanDerWaalsContact O-N 3.17Å; E230-G232 VanDerWaalsContact C-N 3.33Å; G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 3.05Å; G232-L235 PolarHBondContact O-N 3.03Å; G232-R236 VanDerWaalsContact O-CB 3.29Å; G232-R236 WeakPolarHBondContact O-CB 3.48Å; G232-R236 PolarHBondContact O-N 2.62Å; G232-F244 WeakPolarHBondContact O-CZ 3.41Å; G232-L258 VanDerWaalsContact CA-CD2 3.46Å
233	E	93.9	Very high	94	Very high	87 Å²	87	65.5 Å²	65.5	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-34.1	179.5	-76.7	-61.2	165.4	0	0	113.1	E229 M231 R236 S237	E229-E233 PolarHBondContact O-N 3.02Å; M231-E233 PolarHBondContact O-N 3.47Å; E233-R236 IonicContact OE1-NH1 3.39Å; E233-R236 PolarHBondContact OE1-NH1 2.81Å; E233-R236 IonicContact OE2-NH1 3.66Å; E233-S237 WeakPolarHBondContact O-CB 3.43Å; E233-S237 PolarHBondContact O-N 3.2Å; E233-S237 PolarHBondContact O-OG 2.81Å
234	K	94.1	Very high	93.8	Very high	112 Å²	112	65.7 Å²	65.7	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-69.7	-45.4	175.7	-57.7	-62.5	177.1	-167.1	0	111.3	E230 M231 G232 S237 R238	E230-K234 WeakPolarHBondContact O-CG 3.14Å; E230-K234 PolarHBondContact O-N 2.91Å; M231-K234 PolarHBondContact O-N 3.3Å; G232-K234 VanDerWaalsContact C-N 3.28Å; G232-K234 PolarHBondContact O-N 3.05Å; K234-S237 PolarHBondContact O-N 3.37Å; K234-R238 WeakPolarHBondContact O-CB 3.26Å; K234-R238 PolarHBondContact O-N 2.86Å
235	L	94.1	Very high	93.7	Very high	7 Å²	7	66.8 Å²	66.8	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-40.1	177.1	-66.5	173.9	0	0	0	111.5	M231 G232 S237 R238 F239 L306 D326	M231-L235 HydrophobicContact CG-CD1 4.09Å; M231-L235 HydrophobicContact CG-CG 4.41Å; M231-L235 WeakPolarHBondContact O-CG 3.25Å; M231-L235 PolarHBondContact O-N 2.84Å; G232-L235 PolarHBondContact O-N 3.03Å; L235-S237 PolarHBondContact O-N 3.08Å; L235-R238 PolarHBondContact O-N 3.2Å; L235-F239 HydrophobicContact CD2-CE2 4.03Å; L235-F239 WeakPolarHBondContact O-CD2 3.43Å; L235-F239 PolarHBondContact O-N 2.94Å; L235-L306 HydrophobicContact CB-CD2 4.39Å; L235-L306 HydrophobicContact CD1-CB 4.13Å; L235-D326 HydrophobicContact CD2-CB 4.07Å
236	R	94.1	Very high	93.5	Very high	88 Å²	88	67.3 Å²	67.3	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-55.8	-50.4	174.2	-171	-175.7	175.5	-170.5	3	111.3	G232 E233 S240 I241 E242 F244	G232-R236 VanDerWaalsContact O-CB 3.29Å; G232-R236 WeakPolarHBondContact O-CB 3.48Å; G232-R236 PolarHBondContact O-N 2.62Å; E233-R236 IonicContact OE1-NH1 3.39Å; E233-R236 PolarHBondContact OE1-NH1 2.81Å; E233-R236 IonicContact OE2-NH1 3.66Å; R236-S240 WeakPolarHBondContact O-CA 3.42Å; R236-S240 PolarHBondContact O-N 3.42Å; R236-I241 HydrophobicContact CG-CB 4.17Å; R236-I241 WeakPolarHBondContact CG-O 3.2Å; R236-I241 PolarHBondContact NE-O 3.16Å; R236-I241 PolarHBondContact O-N 2.95Å; R236-E242 PolarHBondContact NE-O 3.27Å; R236-E242 PolarHBondContact NH2-O 3.48Å; R236-F244 HydrophobicContact CB-CE1 4.44Å; R236-F244 HydrophobicContact CB-CE2 4.18Å; R236-F244 HydrophobicContact CB-CZ 3.67Å; R236-F244 HydrophobicContact CG-CZ 4.19Å
237	S	94.1	Very high	93.1	Very high	87 Å²	87	63.7 Å²	63.7	61%	0.608	32%	0.318	S	S	*	.	H	α-helix	trans	-63.2	-44.1	179.1	-60.9	0	0	0	0	111.9	E233 K234 L235	E233-S237 WeakPolarHBondContact O-CB 3.43Å; E233-S237 PolarHBondContact O-N 3.2Å; E233-S237 PolarHBondContact O-OG 2.81Å; K234-S237 PolarHBondContact O-N 3.37Å; L235-S237 PolarHBondContact O-N 3.08Å
238	R	93.9	Very high	92.6	Very high	99 Å²	99	62.6 Å²	62.6	37%	0.374	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-43.1	-179.5	175.1	170	170.8	-166.5	-13.4	112.8	K234 L235 G325 D326	K234-R238 WeakPolarHBondContact O-CB 3.26Å; K234-R238 PolarHBondContact O-N 2.86Å; L235-R238 PolarHBondContact O-N 3.2Å; R238-G325 PolarHBondContact NH1-O 3.22Å; R238-D326 VanDerWaalsContact CD-OD1 3.27Å; R238-D326 WeakPolarHBondContact CD-OD1 3.36Å; R238-D326 IonicContact CZ-OD1 3.49Å; R238-D326 IonicContact NE-OD1 3.42Å; R238-D326 VanDerWaalsContact NH1-CG 3.29Å; R238-D326 IonicContact NH1-OD1 2.69Å; R238-D326 PolarHBondContact NH1-OD1 3Å
239	F	94.9	Very high	92.2	Very high	65 Å²	65	67.7 Å²	67.7	29%	0.285	34%	0.343	S	S	.	.	H	α-helix	trans	-95.6	4	-176.1	-65.5	-66.8	0	0	0	113.7	L235 I241 L306 Y323 E324	L235-F239 HydrophobicContact CD2-CE2 4.03Å; L235-F239 WeakPolarHBondContact O-CD2 3.43Å; L235-F239 PolarHBondContact O-N 2.94Å; F239-I241 VanDerWaalsContact C-N 3.32Å; F239-I241 HydrophobicContact CB-CD1 3.74Å; F239-I241 HydrophobicContact CB-CG1 3.98Å; F239-I241 PolarHBondContact O-N 3.37Å; F239-L306 HydrophobicContact CD2-CD2 4.09Å; F239-Y323 HydrophobicContact CB-CD1 4.31Å; F239-Y323 HydrophobicContact CB-CE1 4.22Å; F239-Y323 AromaticContact CD1-CD1 3.78Å; F239-Y323 HydrophobicContact CD1-CD1 3.78Å; F239-Y323 HydrophobicContact CD1-CE1 4.15Å; F239-Y323 AromaticContact CD2-CD1 3.77Å; F239-Y323 HydrophobicContact CD2-CD1 3.77Å; F239-Y323 HydrophobicContact CD2-CG 4.46Å; F239-Y323 AromaticContact CE1-CD1 3.98Å; F239-Y323 HydrophobicContact CE1-CD1 3.98Å; F239-Y323 AromaticContact CE2-CD1 3.97Å; F239-Y323 HydrophobicContact CE2-CD1 3.97Å; F239-Y323 HydrophobicContact CE2-CG 4.45Å; F239-Y323 AromaticContact CG-CD1 3.67Å; F239-Y323 HydrophobicContact CG-CD1 3.67Å; F239-Y323 HydrophobicContact CG-CE1 4.05Å; F239-Y323 HydrophobicContact CZ-CD1 4.08Å; F239-E324 WeakPolarHBondContact CE2-O 3.49Å; F239-E324 WeakPolarHBondContact CZ-O 3.49Å
240	S	94.8	Very high	92.1	Very high	105 Å²	105	69 Å²	69	73%	0.734	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	46.7	-179.4	-57.1	0	0	0	0	112.8	R236	R236-S240 WeakPolarHBondContact O-CA 3.42Å; R236-S240 PolarHBondContact O-N 3.42Å
241	I	93.6	Very high	91.9	Very high	22 Å²	22	64.3 Å²	64.3	11%	0.113	34%	0.339	C	S	.	.			trans	-85.8	127.4	-179.3	-65.3	160.1	0	0	0	109.2	R236 F239 F244 T256 L306	R236-I241 HydrophobicContact CG-CB 4.17Å; R236-I241 WeakPolarHBondContact CG-O 3.2Å; R236-I241 PolarHBondContact NE-O 3.16Å; R236-I241 PolarHBondContact O-N 2.95Å; F239-I241 VanDerWaalsContact C-N 3.32Å; F239-I241 HydrophobicContact CB-CD1 3.74Å; F239-I241 HydrophobicContact CB-CG1 3.98Å; F239-I241 PolarHBondContact O-N 3.37Å; I241-F244 HydrophobicContact CB-CE1 4.49Å; I241-F244 HydrophobicContact CD1-CE1 4.24Å; I241-F244 HydrophobicContact CG2-CD1 4.07Å; I241-F244 HydrophobicContact CG2-CE1 3.96Å; I241-T256 HydrophobicContact CD1-CG2 4.08Å; I241-T256 HydrophobicContact CG2-CG2 4.2Å; I241-L306 HydrophobicContact CD1-CD1 4.13Å; I241-L306 HydrophobicContact CD1-CD2 3.17Å; I241-L306 HydrophobicContact CD1-CG 4.19Å
242	E	89.6	Confident	91.7	Very high	174 Å²	174	71.8 Å²	71.8	81%	0.813	37%	0.373	S	S	*	.			trans	-67	-53.6	-178.4	-66.5	-173.4	170.3	0	0	111.5	R236	R236-E242 PolarHBondContact NE-O 3.27Å; R236-E242 PolarHBondContact NH2-O 3.48Å
243	E	90.5	Very high	91.6	Very high	156 Å²	156	78 Å²	78	73%	0.729	41%	0.407	S	S	*	.			trans	-153.1	148.3	-177.9	-168.4	174.3	-174.5	0	0	111.4
244	F	92.9	Very high	91.6	Very high	16 Å²	16	76.3 Å²	76.3	7%	0.07	40%	0.404	C	S	.	.			trans	-87.9	135.6	171.4	-58.3	-50.7	0	0	0	110.6	G232 R236 I241 T256 L258 H282 L306	G232-F244 WeakPolarHBondContact O-CZ 3.41Å; R236-F244 HydrophobicContact CB-CE1 4.44Å; R236-F244 HydrophobicContact CB-CE2 4.18Å; R236-F244 HydrophobicContact CB-CZ 3.67Å; R236-F244 HydrophobicContact CG-CZ 4.19Å; I241-F244 HydrophobicContact CB-CE1 4.49Å; I241-F244 HydrophobicContact CD1-CE1 4.24Å; I241-F244 HydrophobicContact CG2-CD1 4.07Å; I241-F244 HydrophobicContact CG2-CE1 3.96Å; F244-T256 HydrophobicContact CD1-CG2 4.36Å; F244-L258 HydrophobicContact CD1-CB 4.23Å; F244-L258 HydrophobicContact CD2-CB 4.11Å; F244-L258 HydrophobicContact CD2-CD2 4Å; F244-L258 HydrophobicContact CE1-CB 4.42Å; F244-L258 HydrophobicContact CE2-CB 4.29Å; F244-L258 HydrophobicContact CE2-CD2 3.78Å; F244-L258 HydrophobicContact CG-CB 4.06Å; F244-L258 HydrophobicContact CZ-CB 4.42Å; F244-L258 HydrophobicContact CZ-CD2 4.37Å; F244-H282 AromaticContact CD2-NE2 3.48Å; F244-H282 WeakPolarHBondContact CD2-NE2 3.48Å; F244-H282 AromaticContact CG-NE2 3.97Å; F244-L306 HydrophobicContact CD1-CD1 3.87Å; F244-L306 HydrophobicContact CE1-CD1 3.41Å; F244-L306 VanDerWaalsContact CE1-CD1 3.41Å; F244-L306 HydrophobicContact CZ-CD1 4.32Å
245	S	91.3	Very high	91.6	Very high	43 Å²	43	71.8 Å²	71.8	30%	0.301	39%	0.385	S	S	.	.			trans	-84.6	148.1	176.3	-59.3	0	0	0	0	111.5	V247 T256	S245-V247 PolarHBondContact O-N 3.28Å; S245-T256 PolarHBondContact N-O 3.49Å
246	A	90.2	Very high	91.7	Very high	28 Å²	28	72.6 Å²	72.6	23%	0.231	39%	0.391	C	S	.	.			trans	-69.8	113.4	169.7	0	0	0	0	0	110.1	S248 L249	A246-S248 PolarHBondContact O-N 3.02Å; A246-S248 VanDerWaalsContact O-N 3.13Å; A246-L249 HydrophobicContact CB-CD1 3.95Å; A246-L249 HydrophobicContact CB-CG 3.96Å; A246-L249 PolarHBondContact O-N 3.3Å; A246-L249 VanDerWaalsContact O-N 3.14Å
247	V	86.9	Confident	91.8	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.006	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.4	-175.3	68.4	0	0	0	0	113.2	S245 V257 L276 A278 V287 N311 L317	S245-V247 PolarHBondContact O-N 3.28Å; V247-V257 HydrophobicContact CB-CB 4.22Å; V247-V257 HydrophobicContact CB-CG1 3.91Å; V247-V257 HydrophobicContact CG2-CB 4.42Å; V247-V257 HydrophobicContact CG2-CG1 4.13Å; V247-V257 HydrophobicContact CG2-CG2 4.34Å; V247-L276 HydrophobicContact CG2-CD2 4.31Å; V247-A278 HydrophobicContact CG1-CB 3.63Å; V247-V287 HydrophobicContact CB-CG2 4.43Å; V247-V287 HydrophobicContact CG1-CB 4.24Å; V247-V287 HydrophobicContact CG1-CG2 3.72Å; V247-V287 HydrophobicContact CG2-CB 3.94Å; V247-V287 HydrophobicContact CG2-CG1 4.06Å; V247-V287 HydrophobicContact CG2-CG2 4.07Å; V247-N311 PolarHBondContact O-ND2 3.18Å; V247-L317 HydrophobicContact CG2-CB 4.32Å; V247-L317 HydrophobicContact CG2-CD2 4.39Å
248	S	83.7	Confident	91.8	Very high	23 Å²	23	64.5 Å²	64.5	16%	0.161	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.5	-179	54.9	0	0	0	0	114.2	A246 G314	A246-S248 PolarHBondContact O-N 3.02Å; A246-S248 VanDerWaalsContact O-N 3.13Å; S248-G314 WeakPolarHBondContact O-CA 3.27Å
249	L	87.9	Confident	91.9	Very high	111 Å²	111	59.8 Å²	59.8	58%	0.581	33%	0.329	S	S	*	.	S	Bend	trans	-89.7	136	179.1	-63.1	-176.5	0	0	0	110.8	A246 A251	A246-L249 HydrophobicContact CB-CD1 3.95Å; A246-L249 HydrophobicContact CB-CG 3.96Å; A246-L249 PolarHBondContact O-N 3.3Å; A246-L249 VanDerWaalsContact O-N 3.14Å; L249-A251 PolarHBondContact O-N 2.93Å
250	P	91.3	Very high	92	Very high	88 Å²	88	56.7 Å²	56.7	57%	0.571	32%	0.316	S	S	*	.			trans	-61	129.2	173.5	-21.2	31.7	0	0	0	111.7	N311	P250-N311 CarbonylContact C-O 3.59Å; P250-N311 VanDerWaalsContact CA-O 3.3Å; P250-N311 WeakPolarHBondContact CA-O 3.43Å
251	A	89.7	Confident	92.2	Very high	23 Å²	23	51.7 Å²	51.7	19%	0.19	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.8	174	0	0	0	0	0	110.4	L249 I255 N311 T312	L249-A251 PolarHBondContact O-N 2.93Å; A251-I255 HydrophobicContact CB-CD1 4.4Å; A251-I255 HydrophobicContact CB-CG2 3.49Å; A251-I255 VanDerWaalsContact CB-CG2 3.49Å; A251-N311 PolarHBondContact N-O 2.81Å; A251-N311 CarbonylContact O-C 3.5Å; A251-T312 WeakPolarHBondContact O-CA 3.1Å; A251-T312 PolarHBondContact O-N 2.85Å
252	Q	89.4	Confident	92.3	Very high	172 Å²	172	51.6 Å²	51.6	80%	0.804	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	-32.7	175.5	-69.4	-170.9	-17.6	0	0	112.2
253	D	92.7	Very high	92.6	Very high	132 Å²	132	44.8 Å²	44.8	71%	0.706	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	164	176.7	-61.8	-44	0	0	0	111.5	I255	D253-I255 PolarHBondContact O-N 2.88Å
254	S	93.6	Very high	92.7	Very high	51 Å²	51	42 Å²	42	36%	0.357	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126	172.8	-163	0	0	0	0	109.6	E308 G309	S254-E308 WeakPolarHBondContact OG-CG 3.27Å; S254-E308 PolarHBondContact OG-OE1 3.28Å; S254-E308 VanDerWaalsContact OG-OE1 3.14Å; S254-G309 CarbonylContact C-O 3.57Å; S254-G309 WeakPolarHBondContact CA-O 3.44Å
255	I	94.8	Very high	92.6	Very high	16 Å²	16	44 Å²	44	8%	0.082	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.8	179.5	57.9	169	0	0	0	110.7	A251 D253 V257 E308 G309 N311 L317	A251-I255 HydrophobicContact CB-CD1 4.4Å; A251-I255 HydrophobicContact CB-CG2 3.49Å; A251-I255 VanDerWaalsContact CB-CG2 3.49Å; D253-I255 PolarHBondContact O-N 2.88Å; I255-V257 HydrophobicContact CD1-CG1 3.69Å; I255-V257 HydrophobicContact CG1-CG1 4.01Å; I255-E308 WeakPolarHBondContact O-CA 3.4Å; I255-G309 WeakPolarHBondContact CG1-O 3.43Å; I255-G309 PolarHBondContact N-O 2.86Å; I255-G309 PolarHBondContact O-N 3Å; I255-N311 HydrophobicContact CD1-CB 4.39Å; I255-L317 HydrophobicContact CG1-CD1 4.44Å
256	T	95.8	Very high	92.4	Very high	25 Å²	25	50.7 Å²	50.7	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.1	173.6	-61.1	0	0	0	0	109.2	I241 F244 S245 L306 M307	I241-T256 HydrophobicContact CD1-CG2 4.08Å; I241-T256 HydrophobicContact CG2-CG2 4.2Å; F244-T256 HydrophobicContact CD1-CG2 4.36Å; S245-T256 PolarHBondContact N-O 3.49Å; T256-L306 HydrophobicContact CG2-CD1 3.46Å; T256-L306 VanDerWaalsContact CG2-CD1 3.46Å; T256-L306 HydrophobicContact CG2-CG 4.11Å; T256-M307 WeakPolarHBondContact CA-O 3.5Å
257	V	95.1	Very high	92.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.7	-173.3	-58.6	0	0	0	0	111.4	V247 I255 L276 L306 M307 L317	V247-V257 HydrophobicContact CB-CB 4.22Å; V247-V257 HydrophobicContact CB-CG1 3.91Å; V247-V257 HydrophobicContact CG2-CB 4.42Å; V247-V257 HydrophobicContact CG2-CG1 4.13Å; V247-V257 HydrophobicContact CG2-CG2 4.34Å; I255-V257 HydrophobicContact CD1-CG1 3.69Å; I255-V257 HydrophobicContact CG1-CG1 4.01Å; V257-L276 HydrophobicContact CB-CD2 4.38Å; V257-L276 HydrophobicContact CG2-CD2 3.63Å; V257-L306 WeakPolarHBondContact O-CA 3.42Å; V257-M307 HydrophobicContact CG2-CB 4.1Å; V257-M307 PolarHBondContact N-O 3.24Å; V257-M307 PolarHBondContact O-N 2.89Å; V257-L317 HydrophobicContact CG2-CD1 4.49Å; V257-L317 HydrophobicContact CG2-CD2 3.57Å
258	L	96.1	Very high	92.4	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.9	174.9	174	70.7	0	0	0	109.3	I228 G232 F244 V304	I228-L258 HydrophobicContact CG2-CD1 4.47Å; I228-L258 HydrophobicContact CG2-CD2 3.94Å; I228-L258 HydrophobicContact CG2-CG 3.86Å; G232-L258 VanDerWaalsContact CA-CD2 3.46Å; F244-L258 HydrophobicContact CD1-CB 4.23Å; F244-L258 HydrophobicContact CD2-CB 4.11Å; F244-L258 HydrophobicContact CD2-CD2 4Å; F244-L258 HydrophobicContact CE1-CB 4.42Å; F244-L258 HydrophobicContact CE2-CB 4.29Å; F244-L258 HydrophobicContact CE2-CD2 3.78Å; F244-L258 HydrophobicContact CG-CB 4.06Å; F244-L258 HydrophobicContact CZ-CB 4.42Å; F244-L258 HydrophobicContact CZ-CD2 4.37Å; L258-V304 HydrophobicContact CD1-CG1 3.89Å
259	G	95.9	Very high	92.8	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	-174.3	-179.3	172.5	0	0	0	0	0	114	E277 V304 V305	G259-E277 CarbonylContact C-O 3.49Å; G259-E277 WeakPolarHBondContact CA-O 3.27Å; G259-V304 WeakPolarHBondContact O-CA 3.42Å; G259-V305 PolarHBondContact N-O 3.46Å; G259-V305 VanDerWaalsContact N-O 3.1Å; G259-V305 PolarHBondContact O-N 3.26Å
260	Q	96.8	Very high	93.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.5	175.6	179	167.3	88.1	0	0	110.6	I228 L276 E277 G302 Q303	I228-Q260 HydrophobicContact CD1-CB 3.81Å; I228-Q260 HydrophobicContact CG1-CB 4.09Å; Q260-L276 WeakPolarHBondContact O-CA 3.49Å; Q260-E277 PolarHBondContact N-O 3.29Å; Q260-E277 PolarHBondContact O-N 2.99Å; Q260-G302 PolarHBondContact NE2-O 2.68Å; Q260-G302 VanDerWaalsContact NE2-O 3.12Å; Q260-Q303 CarbonylContact C-O 3.56Å; Q260-Q303 WeakPolarHBondContact CA-O 3.35Å
261	I	98	Very high	93.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.4	174.4	-62.8	-60.8	0	0	0	110.1	L269 V274 L275 L276 L299 F300 G302 Q303 V305 M307	I261-L269 HydrophobicContact CG2-CD2 4.04Å; I261-V274 HydrophobicContact CD1-CG1 3.98Å; I261-V274 HydrophobicContact CG2-CG1 4.25Å; I261-L275 WeakPolarHBondContact CA-O 3.44Å; I261-L276 HydrophobicContact CD1-CD1 4.12Å; I261-L299 HydrophobicContact CD1-CD1 4.43Å; I261-L299 HydrophobicContact CD1-CD2 4.26Å; I261-L299 HydrophobicContact CG1-CD2 4.22Å; I261-F300 WeakPolarHBondContact CB-O 3.33Å; I261-F300 WeakPolarHBondContact CG2-O 3.07Å; I261-G302 PolarHBondContact O-N 3.19Å; I261-Q303 HydrophobicContact CB-CB 4.29Å; I261-Q303 HydrophobicContact CG1-CB 4.15Å; I261-Q303 PolarHBondContact N-O 3.26Å; I261-V305 HydrophobicContact CD1-CG1 4.38Å; I261-V305 HydrophobicContact CD1-CG2 3.71Å; I261-V305 HydrophobicContact CG1-CG1 3.91Å; I261-V305 HydrophobicContact CG1-CG2 3.93Å; I261-M307 HydrophobicContact CD1-CE 3.85Å
262	C	96.1	Very high	93.6	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.135	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162.2	176.5	-64.2	0	0	0	0	110.6	L275 L286	C262-L275 HydrophobicContact CB-CB 4.05Å; C262-L275 PolarHBondContact N-O 2.91Å; C262-L275 PolarHBondContact O-N 3.38Å; C262-L286 HydrophobicContact CB-CD2 4.15Å
263	C	95.3	Very high	93.9	Very high	31 Å²	31	46.8 Å²	46.8	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	142.8	170.3	-169.1	0	0	0	0	109.6	S265 G267 L269	C263-S265 PolarHBondContact O-N 2.96Å; C263-S265 PolarHBondContact SG-O 2.81Å; C263-S265 VanDerWaalsContact SG-O 3.38Å; C263-G267 PolarHBondContact SG-O 2.83Å; C263-G267 VanDerWaalsContact SG-O 3.41Å; C263-L269 HydrophobicContact CB-CD1 3.94Å
264	D	92.7	Very high	94.1	Very high	96 Å²	96	40.5 Å²	40.5	51%	0.513	23%	0.233	S	C	.	.	S	Bend	trans	-74.9	-5.3	175	71.8	1	0	0	0	114.6	S273 L275	D264-S273 VanDerWaalsContact CG-CB 3.5Å; D264-S273 PolarHBondContact N-O 2.97Å; D264-S273 VanDerWaalsContact N-O 3.11Å; D264-S273 WeakPolarHBondContact OD1-CB 3.47Å; D264-L275 HydrophobicContact CB-CD1 3.79Å; D264-L275 HydrophobicContact CB-CD2 4.16Å; D264-L275 HydrophobicContact CB-CG 3.93Å
265	S	91.7	Very high	94.3	Very high	59 Å²	59	39.1 Å²	39.1	41%	0.413	22%	0.222	S	C	.	.	S	Bend	trans	-141.1	171.7	-177.5	72.5	0	0	0	0	111.3	C263 G267	C263-S265 PolarHBondContact O-N 2.96Å; C263-S265 PolarHBondContact SG-O 2.81Å; C263-S265 VanDerWaalsContact SG-O 3.38Å; S265-G267 PolarHBondContact O-N 3.46Å; S265-G267 PolarHBondContact OG-N 3.16Å
266	N	86.8	Confident	94.4	Very high	184 Å²	184	38.4 Å²	38.4	98%	0.984	22%	0.218	S	C	*	.	S	Bend	trans	-81.3	5.7	171.2	-60.7	-28.7	0	0	0	112.5
267	G	87	Confident	94.3	Very high	38 Å²	38	40.2 Å²	40.2	39%	0.392	23%	0.225	S	C	.	.	S	Bend	trans	-90.7	179.8	176	0	0	0	0	0	111.9	C263 S265	C263-G267 PolarHBondContact SG-O 2.83Å; C263-G267 VanDerWaalsContact SG-O 3.41Å; S265-G267 PolarHBondContact O-N 3.46Å; S265-G267 PolarHBondContact OG-N 3.16Å
268	K	89.3	Confident	94	Very high	76 Å²	76	40.3 Å²	40.3	33%	0.33	23%	0.226	S	C	.	.			trans	-59	138.1	176.1	-171.6	-178.9	-178.9	-173.8	0	111.3	E108 A490	E108-K268 IonicContact OE1-NZ 3.71Å; E108-K268 PolarHBondContact OE1-NZ 2.86Å; K268-A490 WeakPolarHBondContact CE-O 3.46Å
269	L	93.8	Very high	93.4	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.226	C	C	.	.			trans	-60.4	137.5	174.3	-170.8	68.4	0	0	0	110.7	I261 C263 V274 P301 I493	I261-L269 HydrophobicContact CG2-CD2 4.04Å; C263-L269 HydrophobicContact CB-CD1 3.94Å; L269-V274 HydrophobicContact CD1-CG2 4.12Å; L269-V274 HydrophobicContact CG-CG2 4.45Å; L269-P301 HydrophobicContact CB-CG 4.1Å; L269-P301 HydrophobicContact CD2-CG 4.09Å; L269-I493 HydrophobicContact CB-CG2 4.4Å; L269-I493 HydrophobicContact CD2-CD1 4.17Å; L269-I493 HydrophobicContact CD2-CG1 4.13Å; L269-I493 HydrophobicContact CG-CD1 4.23Å; L269-I493 HydrophobicContact CG-CG2 4.37Å; L269-I493 WeakPolarHBondContact O-CG2 3.26Å
270	N	94.9	Very high	92.7	Very high	57 Å²	57	42.6 Å²	42.6	31%	0.305	24%	0.241	S	C	.	.			trans	-138.4	169.8	172.2	64.1	69.4	0	0	0	109.7	Q272 S273 V274	N270-Q272 PolarHBondContact O-N 3.38Å; N270-Q272 VanDerWaalsContact O-N 3.11Å; N270-Q272 WeakPolarHBondContact OD1-CA 3.42Å; N270-Q272 PolarHBondContact OD1-N 3.36Å; N270-Q272 PolarHBondContact OD1-OE1 3.49Å; N270-S273 VanDerWaalsContact CG-OG 3.22Å; N270-S273 PolarHBondContact N-OG 2.84Å; N270-S273 PolarHBondContact ND2-OG 3.28Å; N270-S273 PolarHBondContact O-N 3.41Å; N270-S273 PolarHBondContact O-OG 3.41Å; N270-S273 PolarHBondContact OD1-N 3.21Å; N270-S273 PolarHBondContact OD1-OG 3.12Å; N270-V274 VanDerWaalsContact O-CG2 3.25Å; N270-V274 WeakPolarHBondContact O-CG2 3.33Å
271	A	95.1	Very high	91.8	Very high	25 Å²	25	49.6 Å²	49.6	21%	0.207	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.1	-174.4	0	0	0	0	0	114.4	L291 Y297	A271-L291 HydrophobicContact CB-CD1 4.34Å; A271-Y297 WeakPolarHBondContact CB-OH 3.5Å
272	Q	94.8	Very high	91	Very high	162 Å²	162	51 Å²	51	76%	0.757	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-18.9	179.1	-66.5	75.3	39	0	0	113.2	N270	N270-Q272 PolarHBondContact O-N 3.38Å; N270-Q272 VanDerWaalsContact O-N 3.11Å; N270-Q272 WeakPolarHBondContact OD1-CA 3.42Å; N270-Q272 PolarHBondContact OD1-N 3.36Å; N270-Q272 PolarHBondContact OD1-OE1 3.49Å
273	S	95.5	Very high	89.9	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.014	30%	0.295	C	S	.	.	S	Bend	trans	-96.7	7.1	-178.7	60.8	0	0	0	0	114.3	D264 N270 L275	D264-S273 VanDerWaalsContact CG-CB 3.5Å; D264-S273 PolarHBondContact N-O 2.97Å; D264-S273 VanDerWaalsContact N-O 3.11Å; D264-S273 WeakPolarHBondContact OD1-CB 3.47Å; N270-S273 VanDerWaalsContact CG-OG 3.22Å; N270-S273 PolarHBondContact N-OG 2.84Å; N270-S273 PolarHBondContact ND2-OG 3.28Å; N270-S273 PolarHBondContact O-N 3.41Å; N270-S273 PolarHBondContact O-OG 3.41Å; N270-S273 PolarHBondContact OD1-N 3.21Å; N270-S273 PolarHBondContact OD1-OG 3.12Å; S273-L275 PolarHBondContact O-N 3.39Å
274	V	97.8	Very high	89.1	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	121.4	-178.6	-176.1	0	0	0	0	111	I261 L269 N270 V289 L291 L299 I493	I261-V274 HydrophobicContact CD1-CG1 3.98Å; I261-V274 HydrophobicContact CG2-CG1 4.25Å; L269-V274 HydrophobicContact CD1-CG2 4.12Å; L269-V274 HydrophobicContact CG-CG2 4.45Å; N270-V274 VanDerWaalsContact O-CG2 3.25Å; N270-V274 WeakPolarHBondContact O-CG2 3.33Å; V274-V289 HydrophobicContact CB-CB 4.43Å; V274-V289 HydrophobicContact CG1-CB 4.04Å; V274-V289 HydrophobicContact CG1-CG2 4.26Å; V274-V289 PolarHBondContact O-N 3.31Å; V274-L291 HydrophobicContact CB-CD1 4.5Å; V274-L291 HydrophobicContact CG2-CD1 3.83Å; V274-L299 HydrophobicContact CG1-CD1 4.32Å; V274-I493 HydrophobicContact CG2-CD1 3.72Å
275	L	96.9	Very high	88.7	Confident	22 Å²	22	53.3 Å²	53.3	12%	0.115	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.5	169.2	-57.4	-176.7	0	0	0	110	I261 C262 D264 S273 L286 P288	I261-L275 WeakPolarHBondContact CA-O 3.44Å; C262-L275 HydrophobicContact CB-CB 4.05Å; C262-L275 PolarHBondContact N-O 2.91Å; C262-L275 PolarHBondContact O-N 3.38Å; D264-L275 HydrophobicContact CB-CD1 3.79Å; D264-L275 HydrophobicContact CB-CD2 4.16Å; D264-L275 HydrophobicContact CB-CG 3.93Å; S273-L275 PolarHBondContact O-N 3.39Å; L275-L286 HydrophobicContact CB-CD2 4.27Å; L275-L286 HydrophobicContact CD1-CD2 4.33Å; L275-P288 HydrophobicContact CD2-CB 3.97Å; L275-P288 HydrophobicContact CD2-CG 3.76Å
276	L	96.3	Very high	88.7	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.9	168.6	-170.5	74.2	0	0	0	109.1	V247 V257 Q260 I261 L286 V287 V289 V305 L317	V247-L276 HydrophobicContact CG2-CD2 4.31Å; V257-L276 HydrophobicContact CB-CD2 4.38Å; V257-L276 HydrophobicContact CG2-CD2 3.63Å; Q260-L276 WeakPolarHBondContact O-CA 3.49Å; I261-L276 HydrophobicContact CD1-CD1 4.12Å; L276-L286 WeakPolarHBondContact O-CA 3.2Å; L276-V287 PolarHBondContact N-O 2.8Å; L276-V287 PolarHBondContact O-N 3.44Å; L276-V289 HydrophobicContact CB-CG2 3.63Å; L276-V305 HydrophobicContact CD1-CG2 3.5Å; L276-L317 HydrophobicContact CD2-CD2 4.24Å
277	E	94.7	Very high	89.1	Confident	63 Å²	63	46.4 Å²	46.4	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.7	169.2	-171.7	172.8	-132	0	0	109.3	G259 Q260 L286	G259-E277 CarbonylContact C-O 3.49Å; G259-E277 WeakPolarHBondContact CA-O 3.27Å; Q260-E277 PolarHBondContact N-O 3.29Å; Q260-E277 PolarHBondContact O-N 2.99Å; E277-L286 HydrophobicContact CB-CD2 3.65Å; E277-L286 HydrophobicContact CG-CD2 4.12Å
278	A	89.3	Confident	89.6	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	150.7	175	0	0	0	0	0	111.6	V247 H282 G284 Q285	V247-A278 HydrophobicContact CG1-CB 3.63Å; A278-H282 HydrophobicContact CB-CB 4.14Å; A278-G284 WeakPolarHBondContact O-CA 3.44Å; A278-Q285 PolarHBondContact N-O 3.27Å
279	G	82.3	Confident	90	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.021	25%	0.249	C	C	.	.			trans	-59.5	160.4	173	0	0	0	0	0	112.7	E281 H282 G283 G284	G279-E281 VanDerWaalsContact C-N 3.27Å; G279-E281 PolarHBondContact O-N 3.43Å; G279-H282 CarbonylContact O-C 3.33Å; G279-H282 PolarHBondContact O-N 3.39Å; G279-G283 PolarHBondContact O-N 3.33Å; G279-G284 PolarHBondContact O-N 2.81Å; G279-G284 VanDerWaalsContact O-N 3.11Å
280	P	81.1	Confident	90.1	Very high	51 Å²	51	45.7 Å²	45.7	33%	0.331	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54.1	-40.4	-179.8	-25.8	33.8	0	0	0	113.8	S225 E229 H282 G283	S225-P280 WeakPolarHBondContact OG-CG 3.46Å; E229-P280 WeakPolarHBondContact OE1-CD 3.29Å; P280-H282 PolarHBondContact O-N 3.33Å; P280-G283 PolarHBondContact O-N 3.49Å
281	E	79.1	Confident	90.2	Very high	146 Å²	146	43.4 Å²	43.4	68%	0.682	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-63.6	-21.2	177.8	-60.5	-163.5	153.5	0	0	113.4	G279	G279-E281 VanDerWaalsContact C-N 3.27Å; G279-E281 PolarHBondContact O-N 3.43Å
282	H	80.8	Confident	90.3	Very high	31 Å²	31	46.1 Å²	46.1	14%	0.144	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-109.2	15.9	-178.2	-53.9	-41.4	0	0	0	113	F244 A278 G279 P280	F244-H282 AromaticContact CD2-NE2 3.48Å; F244-H282 WeakPolarHBondContact CD2-NE2 3.48Å; F244-H282 AromaticContact CG-NE2 3.97Å; A278-H282 HydrophobicContact CB-CB 4.14Å; G279-H282 CarbonylContact O-C 3.33Å; G279-H282 PolarHBondContact O-N 3.39Å; P280-H282 PolarHBondContact O-N 3.33Å
283	G	72.9	Confident	90.3	Very high	43 Å²	43	44.5 Å²	44.5	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	-10.4	170.2	0	0	0	0	0	115.4	G279 P280 Q285	G279-G283 PolarHBondContact O-N 3.33Å; P280-G283 PolarHBondContact O-N 3.49Å; G283-Q285 WeakPolarHBondContact O-CG 3.17Å; G283-Q285 PolarHBondContact O-N 3.23Å; G283-Q285 VanDerWaalsContact O-N 3.11Å
284	G	77.9	Confident	90.3	Very high	44 Å²	44	45 Å²	45	45%	0.454	26%	0.259	S	S	.	.			trans	58.5	25.5	174.2	0	0	0	0	0	114.9	A278 G279	A278-G284 WeakPolarHBondContact O-CA 3.44Å; G279-G284 PolarHBondContact O-N 2.81Å; G279-G284 VanDerWaalsContact O-N 3.11Å
285	Q	84.8	Confident	90.1	Very high	108 Å²	108	53.9 Å²	53.9	51%	0.505	30%	0.297	S	S	.	.			trans	-106.2	149.6	-176.9	-72.2	-171.1	8.5	0	0	111.6	A278 G283	A278-Q285 PolarHBondContact N-O 3.27Å; G283-Q285 WeakPolarHBondContact O-CG 3.17Å; G283-Q285 PolarHBondContact O-N 3.23Å; G283-Q285 VanDerWaalsContact O-N 3.11Å
286	L	92.1	Very high	90	Very high	94 Å²	94	58.9 Å²	58.9	49%	0.492	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	124.5	171.2	-70.8	162.5	0	0	0	109.7	C262 L275 L276 E277	C262-L286 HydrophobicContact CB-CD2 4.15Å; L275-L286 HydrophobicContact CB-CD2 4.27Å; L275-L286 HydrophobicContact CD1-CD2 4.33Å; L276-L286 WeakPolarHBondContact O-CA 3.2Å; E277-L286 HydrophobicContact CB-CD2 3.65Å; E277-L286 HydrophobicContact CG-CD2 4.12Å
287	V	94.7	Very high	90.1	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125.2	175.7	178.8	0	0	0	0	109.8	V247 L276 L317	V247-V287 HydrophobicContact CB-CG2 4.43Å; V247-V287 HydrophobicContact CG1-CB 4.24Å; V247-V287 HydrophobicContact CG1-CG2 3.72Å; V247-V287 HydrophobicContact CG2-CB 3.94Å; V247-V287 HydrophobicContact CG2-CG1 4.06Å; V247-V287 HydrophobicContact CG2-CG2 4.07Å; L276-V287 PolarHBondContact N-O 2.8Å; L276-V287 PolarHBondContact O-N 3.44Å; V287-L317 HydrophobicContact CG1-CB 4.35Å
288	P	96.9	Very high	90.2	Very high	57 Å²	57	58 Å²	58	37%	0.37	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	139.4	171.4	-24.2	31.5	0	0	0	112.8	L275 R315 K316 L317	L275-P288 HydrophobicContact CD2-CB 3.97Å; L275-P288 HydrophobicContact CD2-CG 3.76Å; P288-R315 WeakPolarHBondContact CD-O 3.41Å; P288-K316 HydrophobicContact CB-CG 4.38Å; P288-K316 WeakPolarHBondContact O-CA 3.35Å; P288-L317 PolarHBondContact O-N 2.77Å
289	V	97.6	Very high	90.6	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.7	179.5	-172.3	0	0	0	0	109.8	V274 L276 L291 M307 L317 A319	V274-V289 HydrophobicContact CB-CB 4.43Å; V274-V289 HydrophobicContact CG1-CB 4.04Å; V274-V289 HydrophobicContact CG1-CG2 4.26Å; V274-V289 PolarHBondContact O-N 3.31Å; L276-V289 HydrophobicContact CB-CG2 3.63Å; V289-L291 HydrophobicContact CB-CD2 4.46Å; V289-L291 HydrophobicContact CG1-CD2 3.67Å; V289-M307 HydrophobicContact CG1-CE 4.46Å; V289-M307 HydrophobicContact CG1-SD 3.99Å; V289-M307 HydrophobicContact CG2-SD 4.5Å; V289-L317 CarbonylContact C-O 3.55Å; V289-L317 WeakPolarHBondContact CA-O 3.1Å; V289-A319 HydrophobicContact CG1-CB 3.82Å
290	D	97.2	Very high	91.4	Very high	40 Å²	40	57.7 Å²	57.7	21%	0.214	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	119.7	165.9	-155.7	-34.6	0	0	0	109.8	S292 K316 L317 V318 A319	D290-S292 VanDerWaalsContact CG-OG 3.24Å; D290-S292 WeakPolarHBondContact OD1-CB 3.43Å; D290-S292 PolarHBondContact OD1-N 2.99Å; D290-S292 PolarHBondContact OD1-OG 3.28Å; D290-K316 HydrophobicContact CB-CD 4.3Å; D290-K316 VanDerWaalsContact CG-NZ 3.32Å; D290-K316 IonicContact OD2-NZ 2.88Å; D290-K316 PolarHBondContact OD2-NZ 3.42Å; D290-L317 PolarHBondContact N-O 3.08Å; D290-V318 HydrophobicContact CB-CB 4.33Å; D290-V318 HydrophobicContact CB-CG1 4.31Å; D290-V318 HydrophobicContact CB-CG2 4.06Å; D290-A319 PolarHBondContact O-N 2.91Å
291	L	97.5	Very high	92.2	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.047	30%	0.301	C	S	.	.			trans	-96.2	2.2	178.4	-53.6	178	0	0	0	113.1	A271 V274 V289 E293 L294 Y297 L299 I493	A271-L291 HydrophobicContact CB-CD1 4.34Å; V274-L291 HydrophobicContact CB-CD1 4.5Å; V274-L291 HydrophobicContact CG2-CD1 3.83Å; V289-L291 HydrophobicContact CB-CD2 4.46Å; V289-L291 HydrophobicContact CG1-CD2 3.67Å; L291-E293 PolarHBondContact O-N 3.45Å; L291-L294 HydrophobicContact CD2-CD1 3.7Å; L291-L294 WeakPolarHBondContact O-CB 3.5Å; L291-L294 PolarHBondContact O-N 2.96Å; L291-Y297 HydrophobicContact CB-CD1 4.34Å; L291-Y297 HydrophobicContact CB-CE1 3.92Å; L291-Y297 HydrophobicContact CD1-CD1 4.38Å; L291-Y297 HydrophobicContact CD1-CD2 4.31Å; L291-Y297 HydrophobicContact CD1-CE1 3.98Å; L291-Y297 HydrophobicContact CD1-CE2 3.94Å; L291-L299 HydrophobicContact CD1-CD1 3.88Å; L291-L299 HydrophobicContact CD2-CD1 3.91Å; L291-I493 HydrophobicContact CD1-CD1 4.25Å
292	S	95.6	Very high	93.1	Very high	82 Å²	82	48.7 Å²	48.7	57%	0.573	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.4	-173	49.4	0	0	0	0	114.6	D290	D290-S292 VanDerWaalsContact CG-OG 3.24Å; D290-S292 WeakPolarHBondContact OD1-CB 3.43Å; D290-S292 PolarHBondContact OD1-N 2.99Å; D290-S292 PolarHBondContact OD1-OG 3.28Å
293	E	95.8	Very high	93.9	Very high	129 Å²	129	47.9 Å²	47.9	60%	0.603	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-7.7	179	-60	-60.1	141.4	0	0	113.1	L291 K295 V318	L291-E293 PolarHBondContact O-N 3.45Å; E293-K295 PolarHBondContact O-N 3.32Å; E293-V318 HydrophobicContact CG-CG1 3.88Å
294	L	95.9	Very high	95.1	Very high	12 Å²	12	46 Å²	46	6%	0.063	24%	0.244	C	C	.	.			trans	-82.8	116.4	175.7	-70.9	177.6	0	0	0	111	L291 Q296 Y297 A319 S320 L322	L291-L294 HydrophobicContact CD2-CD1 3.7Å; L291-L294 WeakPolarHBondContact O-CB 3.5Å; L291-L294 PolarHBondContact O-N 2.96Å; L294-Q296 VanDerWaalsContact C-N 3.34Å; L294-Q296 PolarHBondContact O-N 3.12Å; L294-Y297 HydrophobicContact CB-CD1 4.01Å; L294-Y297 HydrophobicContact CD1-CD1 4.42Å; L294-A319 HydrophobicContact CD1-CB 3.85Å; L294-A319 HydrophobicContact CD2-CB 4.47Å; L294-A319 HydrophobicContact CG-CB 4.06Å; L294-S320 VanDerWaalsContact CD2-C 3.5Å; L294-L322 HydrophobicContact CD1-CB 4.42Å; L294-L322 HydrophobicContact CD2-CB 4.38Å
295	K	93.3	Very high	96	Very high	188 Å²	188	44.1 Å²	44.1	82%	0.817	22%	0.224	S	C	*	.	S	Bend	trans	-68.6	-33.4	175.6	-63.4	-178.5	-178.5	176.5	0	113.2	E293	E293-K295 PolarHBondContact O-N 3.32Å
296	Q	95.1	Very high	96.6	Very high	126 Å²	126	39.1 Å²	39.1	59%	0.589	20%	0.201	S	C	*	.	S	Bend	trans	-143.9	132.7	-176.7	-63.3	-175.1	-28.3	0	0	110.1	L294 C495 G496	L294-Q296 VanDerWaalsContact C-N 3.34Å; L294-Q296 PolarHBondContact O-N 3.12Å; Q296-C495 VanDerWaalsContact CA-O 3.29Å; Q296-C495 WeakPolarHBondContact CA-O 3.28Å; Q296-G496 WeakPolarHBondContact CG-O 3.48Å; Q296-G496 PolarHBondContact NE2-O 3.45Å
297	Y	96.8	Very high	96.8	Very high	29 Å²	29	34.6 Å²	34.6	11%	0.114	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.5	171.7	62	-100.6	0	0	0	110.9	A271 L291 L294 L299 I493 S494 C495 T497	A271-Y297 WeakPolarHBondContact CB-OH 3.5Å; L291-Y297 HydrophobicContact CB-CD1 4.34Å; L291-Y297 HydrophobicContact CB-CE1 3.92Å; L291-Y297 HydrophobicContact CD1-CD1 4.38Å; L291-Y297 HydrophobicContact CD1-CD2 4.31Å; L291-Y297 HydrophobicContact CD1-CE1 3.98Å; L291-Y297 HydrophobicContact CD1-CE2 3.94Å; L294-Y297 HydrophobicContact CB-CD1 4.01Å; L294-Y297 HydrophobicContact CD1-CD1 4.42Å; Y297-L299 HydrophobicContact CD2-CD1 4.21Å; Y297-L299 HydrophobicContact CD2-CG 4.15Å; Y297-I493 HydrophobicContact CE2-CD1 3.99Å; Y297-I493 HydrophobicContact CE2-CG1 4.08Å; Y297-S494 CarbonylContact O-C 3.55Å; Y297-S494 VanDerWaalsContact O-CA 3.26Å; Y297-S494 WeakPolarHBondContact O-CA 3.47Å; Y297-C495 HydrophobicContact CD1-CB 3.73Å; Y297-C495 HydrophobicContact CD2-CB 4.34Å; Y297-C495 HydrophobicContact CE1-CB 3.25Å; Y297-C495 HydrophobicContact CE2-CB 3.91Å; Y297-C495 HydrophobicContact CG-CB 4.24Å; Y297-C495 PolarHBondContact N-O 2.92Å; Y297-C495 VanDerWaalsContact N-O 3.12Å; Y297-C495 PolarHBondContact O-N 3.04Å; Y297-T497 WeakPolarHBondContact O-CG2 3.31Å
298	S	97.5	Very high	96.8	Very high	15 Å²	15	36.9 Å²	36.9	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	115.1	167.1	172.6	0	0	0	0	106.2	Q303 E492 I493 H508	S298-Q303 PolarHBondContact O-NE2 2.98Å; S298-E492 PolarHBondContact OG-OE1 3.43Å; S298-I493 CarbonylContact C-O 3.54Å; S298-I493 VanDerWaalsContact CA-O 3.31Å; S298-I493 WeakPolarHBondContact CA-O 3.37Å; S298-H508 PolarHBondContact O-CE1 3.11Å; S298-H508 VanDerWaalsContact O-CE1 3.26Å; S298-H508 PolarHBondContact OG-NE2 3.26Å
299	L	98.2	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.4	-170.4	-59.4	174.9	0	0	0	111.2	I261 V274 L291 Y297 Q303 V305 M307 L322 E492 I493	I261-L299 HydrophobicContact CD1-CD1 4.43Å; I261-L299 HydrophobicContact CD1-CD2 4.26Å; I261-L299 HydrophobicContact CG1-CD2 4.22Å; V274-L299 HydrophobicContact CG1-CD1 4.32Å; L291-L299 HydrophobicContact CD1-CD1 3.88Å; L291-L299 HydrophobicContact CD2-CD1 3.91Å; Y297-L299 HydrophobicContact CD2-CD1 4.21Å; Y297-L299 HydrophobicContact CD2-CG 4.15Å; L299-Q303 VanDerWaalsContact CD2-OE1 3.29Å; L299-V305 HydrophobicContact CD2-CG1 4.19Å; L299-M307 HydrophobicContact CD1-CE 4.21Å; L299-M307 HydrophobicContact CD2-CE 4.11Å; L299-L322 HydrophobicContact CD2-CD1 4.31Å; L299-L322 HydrophobicContact CD2-CD2 3.76Å; L299-E492 WeakPolarHBondContact O-CA 3.43Å; L299-I493 HydrophobicContact CB-CD1 4.31Å; L299-I493 HydrophobicContact CB-CG1 3.9Å; L299-I493 PolarHBondContact N-O 2.89Å; L299-I493 PolarHBondContact O-N 2.99Å
300	F	98.1	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.			trans	-148.6	156.6	172.4	70.5	-85.4	0	0	0	110.5	I261 G302 Q303 M488 H508 Q512 P517 L518	I261-F300 WeakPolarHBondContact CB-O 3.33Å; I261-F300 WeakPolarHBondContact CG2-O 3.07Å; F300-G302 PolarHBondContact O-N 3.46Å; F300-Q303 HydrophobicContact CD1-CB 3.83Å; F300-Q303 HydrophobicContact CD1-CG 4.06Å; F300-Q303 HydrophobicContact CD2-CB 4.35Å; F300-Q303 HydrophobicContact CE1-CB 3.49Å; F300-Q303 VanDerWaalsContact CE1-CB 3.49Å; F300-Q303 HydrophobicContact CE1-CG 3.49Å; F300-Q303 VanDerWaalsContact CE1-CG 3.49Å; F300-Q303 HydrophobicContact CE2-CB 4.03Å; F300-Q303 HydrophobicContact CG-CB 4.24Å; F300-Q303 HydrophobicContact CZ-CB 3.59Å; F300-Q303 HydrophobicContact CZ-CG 3.92Å; F300-Q303 WeakPolarHBondContact O-CB 3.45Å; F300-Q303 PolarHBondContact O-N 3.45Å; F300-M488 HydrophobicContact CD1-CE 3.68Å; F300-M488 HydrophobicContact CD2-CE 3.8Å; F300-M488 HydrophobicContact CE1-CE 3.55Å; F300-M488 HydrophobicContact CE2-CE 3.7Å; F300-M488 HydrophobicContact CG-CE 3.81Å; F300-M488 HydrophobicContact CZ-CE 3.57Å; F300-H508 HydrophobicContact CD1-CB 4.2Å; F300-H508 AromaticContact CD1-CD2 3.71Å; F300-H508 AromaticContact CD1-CG 3.81Å; F300-H508 HydrophobicContact CE1-CB 3.59Å; F300-H508 AromaticContact CE1-CD2 3.96Å; F300-H508 AromaticContact CE1-CG 3.55Å; F300-H508 AromaticContact CE1-ND1 3.87Å; F300-H508 HydrophobicContact CZ-CB 4.37Å; F300-Q512 HydrophobicContact CE1-CG 4.37Å; F300-Q512 HydrophobicContact CZ-CG 4.01Å; F300-P517 HydrophobicContact CE2-CB 4.09Å; F300-P517 HydrophobicContact CE2-CG 4.2Å; F300-P517 HydrophobicContact CZ-CB 3.93Å; F300-P517 HydrophobicContact CZ-CG 4.02Å; F300-L518 HydrophobicContact CD2-CD1 4.08Å
301	P	98.3	Very high	96.5	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.052	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	132.5	177.8	-24	35.4	0	0	0	112.9	L269 Q303 E491 L518 Y519	L269-P301 HydrophobicContact CB-CG 4.1Å; L269-P301 HydrophobicContact CD2-CG 4.09Å; P301-Q303 VanDerWaalsContact C-N 3.35Å; P301-E491 HydrophobicContact CG-CB 4.21Å; P301-L518 HydrophobicContact CB-CD1 4.3Å; P301-L518 HydrophobicContact CG-CD1 4.5Å; P301-Y519 CarbonylContact C-O 3.55Å; P301-Y519 VanDerWaalsContact CB-O 3.25Å; P301-Y519 WeakPolarHBondContact CB-O 3.25Å; P301-Y519 PolarHBondContact O-N 2.87Å
302	G	97.4	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-5.9	-178	0	0	0	0	0	114.8	K227 Q260 I261 F300 V304 Y519	K227-G302 PolarHBondContact NZ-O 3.47Å; Q260-G302 PolarHBondContact NE2-O 2.68Å; Q260-G302 VanDerWaalsContact NE2-O 3.12Å; I261-G302 PolarHBondContact O-N 3.19Å; F300-G302 PolarHBondContact O-N 3.46Å; G302-V304 PolarHBondContact O-N 3.46Å; G302-Y519 PolarHBondContact N-O 2.88Å; G302-Y519 VanDerWaalsContact N-O 3.11Å
303	Q	98.4	Very high	96	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.065	20%	0.203	C	C	.	.			trans	-67	123.2	176.3	-169.8	-173.8	10.5	0	0	110.7	Q260 I261 S298 L299 F300 P301 V305 H508	Q260-Q303 CarbonylContact C-O 3.56Å; Q260-Q303 WeakPolarHBondContact CA-O 3.35Å; I261-Q303 HydrophobicContact CB-CB 4.29Å; I261-Q303 HydrophobicContact CG1-CB 4.15Å; I261-Q303 PolarHBondContact N-O 3.26Å; S298-Q303 PolarHBondContact O-NE2 2.98Å; L299-Q303 VanDerWaalsContact CD2-OE1 3.29Å; F300-Q303 HydrophobicContact CD1-CB 3.83Å; F300-Q303 HydrophobicContact CD1-CG 4.06Å; F300-Q303 HydrophobicContact CD2-CB 4.35Å; F300-Q303 HydrophobicContact CE1-CB 3.49Å; F300-Q303 VanDerWaalsContact CE1-CB 3.49Å; F300-Q303 HydrophobicContact CE1-CG 3.49Å; F300-Q303 VanDerWaalsContact CE1-CG 3.49Å; F300-Q303 HydrophobicContact CE2-CB 4.03Å; F300-Q303 HydrophobicContact CG-CB 4.24Å; F300-Q303 HydrophobicContact CZ-CB 3.59Å; F300-Q303 HydrophobicContact CZ-CG 3.92Å; F300-Q303 WeakPolarHBondContact O-CB 3.45Å; F300-Q303 PolarHBondContact O-N 3.45Å; P301-Q303 VanDerWaalsContact C-N 3.35Å; Q303-V305 HydrophobicContact CB-CG1 4.23Å; Q303-V305 VanDerWaalsContact CD-CG1 3.44Å; Q303-V305 HydrophobicContact CG-CG1 3.6Å; Q303-H508 PolarHBondContact NE2-CE1 3.03Å
304	V	97.9	Very high	95.6	Very high	3 Å²	3	35 Å²	35	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.8	168.2	-174.6	0	0	0	0	108.3	K227 I228 M231 L258 G259 G302 Q512	K227-V304 HydrophobicContact CD-CG2 4.43Å; K227-V304 HydrophobicContact CG-CG2 4.08Å; I228-V304 HydrophobicContact CG1-CG2 4.24Å; I228-V304 HydrophobicContact CG2-CG1 4.48Å; M231-V304 HydrophobicContact CB-CB 4.32Å; M231-V304 HydrophobicContact CB-CG1 3.93Å; M231-V304 HydrophobicContact CG-CB 4.1Å; M231-V304 HydrophobicContact CG-CG1 3.93Å; L258-V304 HydrophobicContact CD1-CG1 3.89Å; G259-V304 WeakPolarHBondContact O-CA 3.42Å; G302-V304 PolarHBondContact O-N 3.46Å; V304-Q512 PolarHBondContact O-NE2 3.23Å
305	V	97.4	Very high	95.3	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.1	-175.1	-63	0	0	0	0	110.9	G259 I261 L276 L299 Q303 M307 L322	G259-V305 PolarHBondContact N-O 3.46Å; G259-V305 VanDerWaalsContact N-O 3.1Å; G259-V305 PolarHBondContact O-N 3.26Å; I261-V305 HydrophobicContact CD1-CG1 4.38Å; I261-V305 HydrophobicContact CD1-CG2 3.71Å; I261-V305 HydrophobicContact CG1-CG1 3.91Å; I261-V305 HydrophobicContact CG1-CG2 3.93Å; L276-V305 HydrophobicContact CD1-CG2 3.5Å; L299-V305 HydrophobicContact CD2-CG1 4.19Å; Q303-V305 HydrophobicContact CB-CG1 4.23Å; Q303-V305 VanDerWaalsContact CD-CG1 3.44Å; Q303-V305 HydrophobicContact CG-CG1 3.6Å; V305-M307 HydrophobicContact CG2-CE 4.01Å; V305-M307 HydrophobicContact CG2-CG 4.19Å; V305-M307 HydrophobicContact CG2-SD 4.28Å; V305-L322 HydrophobicContact CB-CD1 3.98Å; V305-L322 HydrophobicContact CG1-CD1 4.09Å
306	L	96.5	Very high	95.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.3	168.6	176.6	74.2	0	0	0	107.1	L235 F239 I241 F244 T256 V257 Y323	L235-L306 HydrophobicContact CB-CD2 4.39Å; L235-L306 HydrophobicContact CD1-CB 4.13Å; F239-L306 HydrophobicContact CD2-CD2 4.09Å; I241-L306 HydrophobicContact CD1-CD1 4.13Å; I241-L306 HydrophobicContact CD1-CD2 3.17Å; I241-L306 HydrophobicContact CD1-CG 4.19Å; F244-L306 HydrophobicContact CD1-CD1 3.87Å; F244-L306 HydrophobicContact CE1-CD1 3.41Å; F244-L306 VanDerWaalsContact CE1-CD1 3.41Å; F244-L306 HydrophobicContact CZ-CD1 4.32Å; T256-L306 HydrophobicContact CG2-CD1 3.46Å; T256-L306 VanDerWaalsContact CG2-CD1 3.46Å; T256-L306 HydrophobicContact CG2-CG 4.11Å; V257-L306 WeakPolarHBondContact O-CA 3.42Å; L306-Y323 HydrophobicContact CB-CD2 4.18Å; L306-Y323 HydrophobicContact CB-CG 4.3Å; L306-Y323 HydrophobicContact CD2-CD1 3.83Å; L306-Y323 HydrophobicContact CD2-CD2 3.62Å; L306-Y323 HydrophobicContact CD2-CE1 4.28Å; L306-Y323 HydrophobicContact CD2-CE2 4.08Å; L306-Y323 HydrophobicContact CD2-CG 3.49Å; L306-Y323 VanDerWaalsContact CD2-CG 3.49Å; L306-Y323 HydrophobicContact CG-CD2 3.59Å; L306-Y323 HydrophobicContact CG-CE2 4.12Å; L306-Y323 HydrophobicContact CG-CG 3.91Å; L306-Y323 WeakPolarHBondContact O-CD2 3.5Å; L306-Y323 PolarHBondContact O-N 3.26Å
307	M	96.3	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.1	-176.7	-70.3	-179.5	168.5	0	0	110.8	T256 V257 I261 V289 L299 V305 L317 A319 K321 L322	T256-M307 WeakPolarHBondContact CA-O 3.5Å; V257-M307 HydrophobicContact CG2-CB 4.1Å; V257-M307 PolarHBondContact N-O 3.24Å; V257-M307 PolarHBondContact O-N 2.89Å; I261-M307 HydrophobicContact CD1-CE 3.85Å; V289-M307 HydrophobicContact CG1-CE 4.46Å; V289-M307 HydrophobicContact CG1-SD 3.99Å; V289-M307 HydrophobicContact CG2-SD 4.5Å; L299-M307 HydrophobicContact CD1-CE 4.21Å; L299-M307 HydrophobicContact CD2-CE 4.11Å; V305-M307 HydrophobicContact CG2-CE 4.01Å; V305-M307 HydrophobicContact CG2-CG 4.19Å; V305-M307 HydrophobicContact CG2-SD 4.28Å; M307-L317 HydrophobicContact CB-CD2 4.3Å; M307-L317 HydrophobicContact SD-CD2 4.4Å; M307-A319 HydrophobicContact SD-CB 4.37Å; M307-K321 CarbonylContact C-O 3.56Å; M307-K321 WeakPolarHBondContact CA-O 3.39Å; M307-L322 HydrophobicContact CE-CD1 3.85Å; M307-L322 HydrophobicContact CG-CD1 3.89Å
308	E	96.2	Very high	95.4	Very high	51 Å²	51	34.5 Å²	34.5	24%	0.238	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	167.9	-150.4	-173.8	118.2	0	0	109.3	S254 I255 S320 K321 Y323	S254-E308 WeakPolarHBondContact OG-CG 3.27Å; S254-E308 PolarHBondContact OG-OE1 3.28Å; S254-E308 VanDerWaalsContact OG-OE1 3.14Å; I255-E308 WeakPolarHBondContact O-CA 3.4Å; E308-S320 PolarHBondContact O-N 3.09Å; E308-S320 PolarHBondContact O-OG 2.86Å; E308-K321 HydrophobicContact CB-CB 3.83Å; E308-K321 HydrophobicContact CB-CD 4.45Å; E308-K321 PolarHBondContact N-O 2.55Å; E308-K321 PolarHBondContact O-N 3.49Å; E308-K321 VanDerWaalsContact O-N 3.08Å; E308-K321 IonicContact OE2-NZ 3.85Å; E308-Y323 HydrophobicContact CB-CE2 4.14Å; E308-Y323 PolarHBondContact OE2-OH 3.04Å
309	G	95.6	Very high	95.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-175.3	-178.9	0	0	0	0	0	113.5	S254 I255 V318	S254-G309 CarbonylContact C-O 3.57Å; S254-G309 WeakPolarHBondContact CA-O 3.44Å; I255-G309 WeakPolarHBondContact CG1-O 3.43Å; I255-G309 PolarHBondContact N-O 2.86Å; I255-G309 PolarHBondContact O-N 3Å; G309-V318 CarbonylContact C-O 3.58Å; G309-V318 WeakPolarHBondContact CA-O 3.12Å
310	M	95.2	Very high	95.3	Very high	96 Å²	96	36.8 Å²	36.8	47%	0.473	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137	179.5	-66.3	176.8	179.5	0	0	110.4	V318	M310-V318 PolarHBondContact N-O 2.9Å; M310-V318 PolarHBondContact O-N 2.96Å
311	N	93.5	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	77.3	170.3	-171.6	-1.3	0	0	0	110.2	V247 P250 A251 I255 T313 G314 R315 K316 L317	V247-N311 PolarHBondContact O-ND2 3.18Å; P250-N311 CarbonylContact C-O 3.59Å; P250-N311 VanDerWaalsContact CA-O 3.3Å; P250-N311 WeakPolarHBondContact CA-O 3.43Å; A251-N311 PolarHBondContact N-O 2.81Å; A251-N311 CarbonylContact O-C 3.5Å; I255-N311 HydrophobicContact CD1-CB 4.39Å; N311-T313 PolarHBondContact O-N 2.64Å; N311-T313 VanDerWaalsContact O-N 3.13Å; N311-G314 WeakPolarHBondContact ND2-CA 3.38Å; N311-G314 PolarHBondContact O-N 2.87Å; N311-G314 VanDerWaalsContact OD1-CA 3.25Å; N311-G314 WeakPolarHBondContact OD1-CA 3.35Å; N311-G314 PolarHBondContact OD1-N 3.27Å; N311-R315 PolarHBondContact OD1-N 3.05Å; N311-R315 VanDerWaalsContact OD1-N 3.09Å; N311-K316 PolarHBondContact OD1-N 2.81Å; N311-K316 PolarHBondContact OD1-O 2.84Å; N311-L317 HydrophobicContact CB-CD1 4.34Å
312	T	92.8	Very high	95.2	Very high	93 Å²	93	42.6 Å²	42.6	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.1	-175.7	56.2	0	0	0	0	114.2	A251	A251-T312 WeakPolarHBondContact O-CA 3.1Å; A251-T312 PolarHBondContact O-N 2.85Å
313	T	90.3	Very high	95.2	Very high	81 Å²	81	44.2 Å²	44.2	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-11	-175	62.5	0	0	0	0	114	N311 R315	N311-T313 PolarHBondContact O-N 2.64Å; N311-T313 VanDerWaalsContact O-N 3.13Å; T313-R315 PolarHBondContact O-N 2.81Å; T313-R315 PolarHBondContact OG1-N 3.29Å
314	G	86.3	Confident	95	Very high	11 Å²	11	48.5 Å²	48.5	11%	0.113	24%	0.242	C	C	.	.	S	Bend	trans	73.3	1.3	-168.2	0	0	0	0	0	114.3	S248 N311	S248-G314 WeakPolarHBondContact O-CA 3.27Å; N311-G314 WeakPolarHBondContact ND2-CA 3.38Å; N311-G314 PolarHBondContact O-N 2.87Å; N311-G314 VanDerWaalsContact OD1-CA 3.25Å; N311-G314 WeakPolarHBondContact OD1-CA 3.35Å; N311-G314 PolarHBondContact OD1-N 3.27Å
315	R	90.3	Very high	94.8	Very high	204 Å²	204	49.3 Å²	49.3	77%	0.77	25%	0.252	S	S	*	.	S	Bend	trans	-114.8	-14.5	-172	-60.4	-174	-176	-166.4	1.3	115.4	P288 N311 T313	P288-R315 WeakPolarHBondContact CD-O 3.41Å; N311-R315 PolarHBondContact OD1-N 3.05Å; N311-R315 VanDerWaalsContact OD1-N 3.09Å; T313-R315 PolarHBondContact O-N 2.81Å; T313-R315 PolarHBondContact OG1-N 3.29Å
316	K	94.4	Very high	94.6	Very high	89 Å²	89	50.9 Å²	50.9	39%	0.387	26%	0.26	S	S	.	.			trans	-154.3	124.8	-178.5	-169.2	-173.3	-163.1	-164.3	0	109.4	P288 D290 N311	P288-K316 HydrophobicContact CB-CG 4.38Å; P288-K316 WeakPolarHBondContact O-CA 3.35Å; D290-K316 HydrophobicContact CB-CD 4.3Å; D290-K316 VanDerWaalsContact CG-NZ 3.32Å; D290-K316 IonicContact OD2-NZ 2.88Å; D290-K316 PolarHBondContact OD2-NZ 3.42Å; N311-K316 PolarHBondContact OD1-N 2.81Å; N311-K316 PolarHBondContact OD1-O 2.84Å
317	L	95.9	Very high	94.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.3	174.2	179.6	71.4	0	0	0	109.2	V247 I255 V257 L276 V287 P288 V289 D290 M307 N311 A319	V247-L317 HydrophobicContact CG2-CB 4.32Å; V247-L317 HydrophobicContact CG2-CD2 4.39Å; I255-L317 HydrophobicContact CG1-CD1 4.44Å; V257-L317 HydrophobicContact CG2-CD1 4.49Å; V257-L317 HydrophobicContact CG2-CD2 3.57Å; L276-L317 HydrophobicContact CD2-CD2 4.24Å; V287-L317 HydrophobicContact CG1-CB 4.35Å; P288-L317 PolarHBondContact O-N 2.77Å; V289-L317 CarbonylContact C-O 3.55Å; V289-L317 WeakPolarHBondContact CA-O 3.1Å; D290-L317 PolarHBondContact N-O 3.08Å; M307-L317 HydrophobicContact CB-CD2 4.3Å; M307-L317 HydrophobicContact SD-CD2 4.4Å; N311-L317 HydrophobicContact CB-CD1 4.34Å; L317-A319 PolarHBondContact O-N 3.37Å
318	V	97	Very high	94.5	Very high	52 Å²	52	54.3 Å²	54.3	32%	0.315	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	102.6	168.1	-176.3	0	0	0	0	108.1	D290 E293 G309 M310	D290-V318 HydrophobicContact CB-CB 4.33Å; D290-V318 HydrophobicContact CB-CG1 4.31Å; D290-V318 HydrophobicContact CB-CG2 4.06Å; E293-V318 HydrophobicContact CG-CG1 3.88Å; G309-V318 CarbonylContact C-O 3.58Å; G309-V318 WeakPolarHBondContact CA-O 3.12Å; M310-V318 PolarHBondContact N-O 2.9Å; M310-V318 PolarHBondContact O-N 2.96Å
319	A	97.5	Very high	94.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.9	-175.2	0	0	0	0	0	110.4	V289 D290 L294 M307 L317	V289-A319 HydrophobicContact CG1-CB 3.82Å; D290-A319 PolarHBondContact O-N 2.91Å; L294-A319 HydrophobicContact CD1-CB 3.85Å; L294-A319 HydrophobicContact CD2-CB 4.47Å; L294-A319 HydrophobicContact CG-CB 4.06Å; M307-A319 HydrophobicContact SD-CB 4.37Å; L317-A319 PolarHBondContact O-N 3.37Å
320	S	96.8	Very high	94.3	Very high	62 Å²	62	58.9 Å²	58.9	43%	0.434	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-23.7	178.7	66.7	0	0	0	0	112.5	L294 E308	L294-S320 VanDerWaalsContact CD2-C 3.5Å; E308-S320 PolarHBondContact O-N 3.09Å; E308-S320 PolarHBondContact O-OG 2.86Å
321	K	97.1	Very high	94.1	Very high	90 Å²	90	56.9 Å²	56.9	39%	0.391	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	135	178.4	-177.2	-176.6	174.2	-169.1	0	110.8	M307 E308 Y323	M307-K321 CarbonylContact C-O 3.56Å; M307-K321 WeakPolarHBondContact CA-O 3.39Å; E308-K321 HydrophobicContact CB-CB 3.83Å; E308-K321 HydrophobicContact CB-CD 4.45Å; E308-K321 PolarHBondContact N-O 2.55Å; E308-K321 PolarHBondContact O-N 3.49Å; E308-K321 VanDerWaalsContact O-N 3.08Å; E308-K321 IonicContact OE2-NZ 3.85Å; K321-Y323 HydrophobicContact CD-CE2 4.1Å; K321-Y323 HydrophobicContact CG-CE2 4.44Å; K321-Y323 VanDerWaalsContact NZ-CZ 3.34Å; K321-Y323 PolarHBondContact NZ-OH 3.06Å
322	L	97.3	Very high	93.5	Very high	40 Å²	40	62 Å²	62	21%	0.209	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.6	169.1	176	63.3	0	0	0	108.1	L294 L299 V305 M307	L294-L322 HydrophobicContact CD1-CB 4.42Å; L294-L322 HydrophobicContact CD2-CB 4.38Å; L299-L322 HydrophobicContact CD2-CD1 4.31Å; L299-L322 HydrophobicContact CD2-CD2 3.76Å; V305-L322 HydrophobicContact CB-CD1 3.98Å; V305-L322 HydrophobicContact CG1-CD1 4.09Å; M307-L322 HydrophobicContact CE-CD1 3.85Å; M307-L322 HydrophobicContact CG-CD1 3.89Å
323	Y	96.9	Very high	92.2	Very high	34 Å²	34	60.3 Å²	60.3	13%	0.133	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-76.1	142.6	177.6	-72.5	-101.6	0	0	0	110.6	F239 L306 E308 K321	F239-Y323 HydrophobicContact CB-CD1 4.31Å; F239-Y323 HydrophobicContact CB-CE1 4.22Å; F239-Y323 AromaticContact CD1-CD1 3.78Å; F239-Y323 HydrophobicContact CD1-CD1 3.78Å; F239-Y323 HydrophobicContact CD1-CE1 4.15Å; F239-Y323 AromaticContact CD2-CD1 3.77Å; F239-Y323 HydrophobicContact CD2-CD1 3.77Å; F239-Y323 HydrophobicContact CD2-CG 4.46Å; F239-Y323 AromaticContact CE1-CD1 3.98Å; F239-Y323 HydrophobicContact CE1-CD1 3.98Å; F239-Y323 AromaticContact CE2-CD1 3.97Å; F239-Y323 HydrophobicContact CE2-CD1 3.97Å; F239-Y323 HydrophobicContact CE2-CG 4.45Å; F239-Y323 AromaticContact CG-CD1 3.67Å; F239-Y323 HydrophobicContact CG-CD1 3.67Å; F239-Y323 HydrophobicContact CG-CE1 4.05Å; F239-Y323 HydrophobicContact CZ-CD1 4.08Å; L306-Y323 HydrophobicContact CB-CD2 4.18Å; L306-Y323 HydrophobicContact CB-CG 4.3Å; L306-Y323 HydrophobicContact CD2-CD1 3.83Å; L306-Y323 HydrophobicContact CD2-CD2 3.62Å; L306-Y323 HydrophobicContact CD2-CE1 4.28Å; L306-Y323 HydrophobicContact CD2-CE2 4.08Å; L306-Y323 HydrophobicContact CD2-CG 3.49Å; L306-Y323 VanDerWaalsContact CD2-CG 3.49Å; L306-Y323 HydrophobicContact CG-CD2 3.59Å; L306-Y323 HydrophobicContact CG-CE2 4.12Å; L306-Y323 HydrophobicContact CG-CG 3.91Å; L306-Y323 WeakPolarHBondContact O-CD2 3.5Å; L306-Y323 PolarHBondContact O-N 3.26Å; E308-Y323 HydrophobicContact CB-CE2 4.14Å; E308-Y323 PolarHBondContact OE2-OH 3.04Å; K321-Y323 HydrophobicContact CD-CE2 4.1Å; K321-Y323 HydrophobicContact CG-CE2 4.44Å; K321-Y323 VanDerWaalsContact NZ-CZ 3.34Å; K321-Y323 PolarHBondContact NZ-OH 3.06Å
324	E	93.7	Very high	90.3	Very high	104 Å²	104	60.4 Å²	60.4	49%	0.486	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-72.9	137.8	176.9	-170.9	177.2	-166.6	0	0	110.6	F239 K507	F239-E324 WeakPolarHBondContact CE2-O 3.49Å; F239-E324 WeakPolarHBondContact CZ-O 3.49Å; E324-K507 VanDerWaalsContact OE1-CE 3.23Å; E324-K507 WeakPolarHBondContact OE1-CE 3.33Å; E324-K507 IonicContact OE1-NZ 3.65Å; E324-K507 PolarHBondContact OE1-NZ 3.39Å
325	G	94.1	Very high	88.4	Confident	21 Å²	21	63.1 Å²	63.1	22%	0.216	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-63.6	162.3	177.9	0	0	0	0	0	113.8	R238	R238-G325 PolarHBondContact NH1-O 3.22Å
326	D	93.5	Very high	86.2	Confident	37 Å²	37	63 Å²	63	20%	0.198	37%	0.368	C	S	.	.			trans	-119	104.8	-174.5	-170.1	38.6	0	0	0	113	L235 R238 R513	L235-D326 HydrophobicContact CD2-CB 4.07Å; R238-D326 VanDerWaalsContact CD-OD1 3.27Å; R238-D326 WeakPolarHBondContact CD-OD1 3.36Å; R238-D326 IonicContact CZ-OD1 3.49Å; R238-D326 IonicContact NE-OD1 3.42Å; R238-D326 VanDerWaalsContact NH1-CG 3.29Å; R238-D326 IonicContact NH1-OD1 2.69Å; R238-D326 PolarHBondContact NH1-OD1 3Å; D326-R513 PolarHBondContact O-NE 2.81Å; D326-R513 PolarHBondContact O-NH2 2.92Å; D326-R513 IonicContact OD2-NH2 3.17Å; D326-R513 PolarHBondContact OD2-NH2 2.78Å
327	P	95.3	Very high	83.8	Confident	40 Å²	40	64.6 Å²	64.6	26%	0.26	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-70.4	158.5	176.4	34.1	-33	0	0	0	110.1	L510 T511	P327-L510 WeakPolarHBondContact CA-O 3.25Å; P327-L510 HydrophobicContact CB-CB 4.42Å; P327-T511 HydrophobicContact CB-CG2 4.38Å
328	L	95.3	Very high	81.3	Confident	34 Å²	34	74 Å²	74	18%	0.178	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-69.1	157.7	173.3	-74.7	164.9	0	0	0	110.9	R513 M538 T541	L328-R513 HydrophobicContact CD1-CB 4.02Å; L328-R513 HydrophobicContact CD1-CG 4.04Å; L328-R513 HydrophobicContact CG-CB 4.4Å; L328-R513 HydrophobicContact CG-CG 3.87Å; L328-M538 HydrophobicContact CD1-CB 4.36Å; L328-M538 WeakPolarHBondContact CD1-O 3.38Å; L328-T541 PolarHBondContact N-OG1 3.16Å; L328-T541 VanDerWaalsContact O-CB 3.26Å; L328-T541 WeakPolarHBondContact O-CB 3.46Å; L328-T541 PolarHBondContact O-OG1 3.47Å
329	P	94.7	Very high	78.7	Confident	101 Å²	101	75.9 Å²	75.9	66%	0.656	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-61	154	168.2	27.6	-34.4	0	0	0	110.7	V540 T541	P329-V540 WeakPolarHBondContact O-CB 3.36Å; P329-T541 PolarHBondContact O-N 3.21Å
330	F	93.3	Very high	76.2	Confident	48 Å²	48	84.2 Å²	84.2	21%	0.211	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-70.3	154.9	170.3	-69.5	-86.6	0	0	0	110.9	S332 T541 A559 R594	F330-S332 PolarHBondContact O-N 2.87Å; F330-T541 HydrophobicContact CD1-CG2 3.93Å; F330-T541 WeakPolarHBondContact CD1-O 3.43Å; F330-T541 HydrophobicContact CE1-CG2 3.33Å; F330-T541 HydrophobicContact CE2-CG2 4.17Å; F330-T541 HydrophobicContact CZ-CG2 3.47Å; F330-T541 VanDerWaalsContact CZ-CG2 3.47Å; F330-A559 WeakPolarHBondContact CZ-O 3.43Å; F330-R594 VanDerWaalsContact CD1-CZ 3.46Å; F330-R594 VanDerWaalsContact CD1-NE 3.34Å; F330-R594 VanDerWaalsContact CD1-NH2 3.27Å; F330-R594 VanDerWaalsContact CD2-CD 3.47Å; F330-R594 VanDerWaalsContact CG-NE 3.27Å
331	H	90.9	Very high	74.1	Confident	53 Å²	53	89.3 Å²	89.3	25%	0.245	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-62	126.1	175	178.2	-110	0	0	0	111.3	T333 T476 V540	H331-T333 VanDerWaalsContact CE1-CG2 3.46Å; H331-T333 WeakPolarHBondContact CE1-CG2 3Å; H331-T476 HydrophobicContact CB-CG2 3.49Å; H331-T476 VanDerWaalsContact CB-CG2 3.49Å; H331-V540 HydrophobicContact CB-CG1 4.29Å; H331-V540 HydrophobicContact CB-CG2 4.27Å
332	S	80.3	Confident	72.2	Confident	107 Å²	107	89.2 Å²	89.2	75%	0.748	51%	0.511	S	S	*	.			trans	-113.3	117	175.8	-65.1	0	0	0	0	109.2	F330 G334	F330-S332 PolarHBondContact O-N 2.87Å; S332-G334 PolarHBondContact O-N 3.41Å
333	T	65.5	Low	70.9	Confident	58 Å²	58	89.1 Å²	89.1	36%	0.356	52%	0.516	S	S	.	.			trans	-79.8	109.2	174	31	0	0	0	0	108.9	H331 A335 R585	H331-T333 VanDerWaalsContact CE1-CG2 3.46Å; H331-T333 WeakPolarHBondContact CE1-CG2 3Å; T333-A335 PolarHBondContact O-N 2.83Å; T333-R585 PolarHBondContact OG1-NH2 3.2Å
334	G	50.7	Low	70.2	Confident	84 Å²	84	92.4 Å²	92.4	87%	0.866	53%	0.533	S	S	*	.			trans	-65.2	2.2	-178.7	0	0	0	0	0	116	S332 K336	S332-G334 PolarHBondContact O-N 3.41Å; G334-K336 PolarHBondContact O-N 2.91Å
335	A	46.6	Very low	69.9	Low	68 Å²	68	89.7 Å²	89.7	56%	0.562	52%	0.524	S	S	*	.			trans	-85.3	107.3	176.1	0	0	0	0	0	109.8	T333 M337	T333-A335 PolarHBondContact O-N 2.83Å; A335-M337 PolarHBondContact O-N 3.24Å
336	K	42.9	Very low	69.8	Low	202 Å²	202	88.9 Å²	88.9	88%	0.878	52%	0.515	S	S	*	.			trans	-57.5	105	158.8	-66	-179.4	179	-177.6	0	106.9	G334 E338	G334-K336 PolarHBondContact O-N 2.91Å; K336-E338 PolarHBondContact O-N 3.21Å
337	M	45.3	Very low	69.8	Low	122 Å²	122	87.3 Å²	87.3	60%	0.601	51%	0.506	S	S	*	.			trans	-67.6	122.8	171.2	-96.5	-175.1	168.9	0	0	108.2	A335 T339	A335-M337 PolarHBondContact O-N 3.24Å; M337-T339 PolarHBondContact O-N 3.05Å
338	E	43	Very low	69.9	Low	198 Å²	198	85.4 Å²	85.4	93%	0.925	49%	0.494	S	S	*	.			trans	-78.9	-0.7	172.9	-64.4	-172.7	159.5	0	0	112.4	K336	K336-E338 PolarHBondContact O-N 3.21Å
339	T	42.8	Very low	70.1	Confident	91 Å²	91	84 Å²	84	56%	0.558	49%	0.487	S	S	*	.			trans	-99.2	105.1	179.7	37.1	0	0	0	0	111.2	M337 E341	M337-T339 PolarHBondContact O-N 3.05Å; T339-E341 PolarHBondContact O-N 3.39Å
340	N	43.9	Very low	70.3	Confident	175 Å²	175	79.1 Å²	79.1	94%	0.936	46%	0.455	S	S	*	.			trans	-66	15.6	169.1	-92.9	-12.9	0	0	0	114.3
341	E	52.7	Low	70.5	Confident	169 Å²	169	76.9 Å²	76.9	79%	0.79	45%	0.445	S	S	*	.	S	Bend	trans	-101.3	118.1	177	-69.6	-170.6	168.4	0	0	109.4	T339 A343	T339-E341 PolarHBondContact O-N 3.39Å; E341-A343 PolarHBondContact O-N 3.22Å
342	A	57.6	Low	70.9	Confident	87 Å²	87	74.3 Å²	74.3	72%	0.719	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-59.9	119.9	175.7	0	0	0	0	0	109.5	E344	A342-E344 PolarHBondContact O-N 3.09Å
343	A	70.1	Confident	71.7	Confident	39 Å²	39	69.2 Å²	69.2	32%	0.322	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-55.2	138.1	179.1	0	0	0	0	0	110.7	E341 Q584	E341-A343 PolarHBondContact O-N 3.22Å; A343-Q584 WeakPolarHBondContact O-CG 3.46Å; A343-Q584 PolarHBondContact O-NE2 3.5Å
344	E	81.6	Confident	73.3	Confident	103 Å²	103	67.1 Å²	67.1	48%	0.481	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-61	133.6	178.6	-171.1	-179.7	-174.6	0	0	110.4	R187 A342	R187-E344 WeakPolarHBondContact CD-OE2 3.39Å; R187-E344 HydrophobicContact CG-CG 4.32Å; R187-E344 WeakPolarHBondContact CG-OE2 3.3Å; A342-E344 PolarHBondContact O-N 3.09Å
345	P	88.9	Confident	75.6	Confident	47 Å²	47	63.1 Å²	63.1	31%	0.305	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.6	140.4	178.4	-24.7	33.1	0	0	0	113	I583 Q584 L599	P345-I583 CarbonylContact C-O 3.53Å; P345-I583 VanDerWaalsContact CA-O 3.28Å; P345-I583 WeakPolarHBondContact CA-O 3.16Å; P345-Q584 HydrophobicContact CB-CB 4.34Å; P345-Q584 HydrophobicContact CG-CB 4.32Å; P345-Q584 HydrophobicContact CG-CG 4.35Å; P345-L599 HydrophobicContact CB-CD1 4.24Å; P345-L599 HydrophobicContact CG-CD1 4.09Å
346	L	91.4	Very high	77.9	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.5	175.3	-65	175.8	0	0	0	111.1	V194 I348 D379 I472 D473 L582 I583	V194-L346 HydrophobicContact CG1-CD1 4.15Å; V194-L346 HydrophobicContact CG2-CD2 4.07Å; L346-I348 HydrophobicContact CB-CD1 4.25Å; L346-D379 HydrophobicContact CD2-CB 4.03Å; L346-I472 HydrophobicContact CD1-CG2 4.44Å; L346-D473 HydrophobicContact CD1-CB 3.43Å; L346-D473 VanDerWaalsContact CD1-CB 3.43Å; L346-L582 WeakPolarHBondContact O-CA 3.45Å; L346-I583 HydrophobicContact CB-CD1 4.33Å; L346-I583 HydrophobicContact CB-CG1 3.75Å; L346-I583 HydrophobicContact CD1-CD1 4.36Å; L346-I583 HydrophobicContact CD1-CG1 4.49Å; L346-I583 PolarHBondContact N-O 3.14Å; L346-I583 PolarHBondContact O-N 2.73Å
347	N	94.2	Very high	80.4	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	116.4	174	-173.1	-13.9	0	0	0	110.7	W184 T185 D379 V380 L581 L582	W184-N347 PolarHBondContact O-ND2 2.82Å; T185-N347 PolarHBondContact N-ND2 2.91Å; N347-D379 PolarHBondContact N-OD2 2.87Å; N347-D379 PolarHBondContact O-N 3.28Å; N347-V380 PolarHBondContact O-N 2.8Å; N347-L581 WeakPolarHBondContact CA-O 3.43Å; N347-L582 HydrophobicContact CB-CD2 3.91Å
348	I	96.9	Very high	82.7	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.1	179	-44.8	-59.9	0	0	0	108.8	L346 V350 V380 L382 I472 F477 R580 L581 I583	L346-I348 HydrophobicContact CB-CD1 4.25Å; I348-V350 HydrophobicContact CG2-CG2 4.26Å; I348-V380 CarbonylContact C-O 3.31Å; I348-V380 WeakPolarHBondContact CA-O 3.33Å; I348-V380 HydrophobicContact CD1-CB 3.77Å; I348-V380 HydrophobicContact CD1-CG2 3.85Å; I348-V380 HydrophobicContact CG2-CB 4.49Å; I348-L382 HydrophobicContact CG2-CD1 4.12Å; I348-L382 HydrophobicContact CG2-CG 4.02Å; I348-I472 HydrophobicContact CD1-CG2 4.14Å; I348-F477 HydrophobicContact CG1-CZ 4.14Å; I348-F477 HydrophobicContact CG2-CE1 4.45Å; I348-R580 CarbonylContact O-C 3.39Å; I348-R580 VanDerWaalsContact O-CA 3.27Å; I348-R580 WeakPolarHBondContact O-CA 3.31Å; I348-L581 HydrophobicContact CB-CB 4.35Å; I348-L581 HydrophobicContact CB-CD1 4.43Å; I348-L581 PolarHBondContact N-O 2.77Å; I348-L581 PolarHBondContact O-N 2.98Å; I348-I583 HydrophobicContact CD1-CD1 3.9Å; I348-I583 HydrophobicContact CD1-CG1 4.31Å; I348-I583 HydrophobicContact CG1-CD1 3.85Å; I348-I583 HydrophobicContact CG1-CG1 4.04Å; I348-I583 HydrophobicContact CG1-CG2 4.32Å
349	L	98.3	Very high	84.9	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139	169.1	-176.1	147.2	0	0	0	109.5	A351 L369 V372 I373 P378 V380 C381 L382 L383 Y578	L349-A351 HydrophobicContact CD2-CB 4.3Å; L349-L369 HydrophobicContact CD1-CD1 4.43Å; L349-L369 HydrophobicContact CD2-CD1 4.03Å; L349-V372 HydrophobicContact CD1-CG1 4.03Å; L349-I373 HydrophobicContact CD1-CG1 4.02Å; L349-I373 HydrophobicContact CD2-CG1 4.46Å; L349-P378 HydrophobicContact CB-CB 3.9Å; L349-P378 HydrophobicContact CB-CG 3.93Å; L349-P378 HydrophobicContact CD1-CG 4.44Å; L349-V380 PolarHBondContact N-O 2.84Å; L349-C381 CarbonylContact O-C 3.53Å; L349-C381 WeakPolarHBondContact O-CA 3.3Å; L349-L382 PolarHBondContact O-N 3.44Å; L349-L383 HydrophobicContact CD2-CD2 4.44Å; L349-Y578 HydrophobicContact CD1-CD2 4.03Å; L349-Y578 HydrophobicContact CD1-CE2 4.06Å; L349-Y578 HydrophobicContact CG-CD2 4.16Å
350	V	98.8	Very high	87.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.6	179.2	-174.7	0	0	0	0	109.4	I348 L382 F384 V546 P566 G579 L581	I348-V350 HydrophobicContact CG2-CG2 4.26Å; V350-L382 WeakPolarHBondContact CA-O 3.45Å; V350-L382 HydrophobicContact CG1-CB 4.39Å; V350-L382 HydrophobicContact CG2-CB 4.26Å; V350-L382 HydrophobicContact CG2-CD1 4.12Å; V350-L382 HydrophobicContact CG2-CG 4.4Å; V350-F384 HydrophobicContact CG1-CD2 4.36Å; V350-F384 HydrophobicContact CG1-CE2 3.93Å; V350-V546 HydrophobicContact CG1-CG1 3.61Å; V350-P566 HydrophobicContact CG1-CB 4.3Å; V350-P566 HydrophobicContact CG1-CG 3.95Å; V350-G579 PolarHBondContact N-O 3.37Å; V350-G579 PolarHBondContact O-N 3.33Å; V350-L581 HydrophobicContact CG2-CD1 3.47Å; V350-L581 VanDerWaalsContact CG2-CD1 3.47Å
351	A	98.8	Very high	89.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.2	175.2	0	0	0	0	0	110.7	L349 Y355 L369 L382 L383 F384 L569	L349-A351 HydrophobicContact CD2-CB 4.3Å; A351-Y355 PolarHBondContact O-OH 2.99Å; A351-L369 HydrophobicContact CB-CD1 4.19Å; A351-L369 HydrophobicContact CB-CD2 3.75Å; A351-L382 PolarHBondContact N-O 2.59Å; A351-L383 HydrophobicContact CB-CD2 3.98Å; A351-L383 WeakPolarHBondContact O-CA 3.44Å; A351-F384 PolarHBondContact O-N 2.84Å; A351-L569 HydrophobicContact CB-CD1 4.43Å
352	C	98.8	Very high	91.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.4	179.1	179	0	0	0	0	110.1	F384 G385 P548 R568 L569	C352-F384 WeakPolarHBondContact CA-O 3.36Å; C352-F384 HydrophobicContact CB-CB 3.81Å; C352-G385 PolarHBondContact SG-O 2.87Å; C352-P548 HydrophobicContact CB-CB 3.58Å; C352-P548 HydrophobicContact CB-CG 3.87Å; C352-P548 WeakPolarHBondContact SG-CB 3.07Å; C352-R568 PolarHBondContact SG-NH1 3.16Å; C352-L569 VanDerWaalsContact O-CB 3.29Å; C352-L569 WeakPolarHBondContact O-CB 3.46Å; C352-L569 PolarHBondContact O-N 2.68Å
353	G	97.9	Very high	92.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-61.5	169	177.3	0	0	0	0	0	113	Y355 F384 G385 R568	G353-Y355 VanDerWaalsContact CA-CD2 3.48Å; G353-Y355 VanDerWaalsContact N-CE2 3.33Å; G353-F384 PolarHBondContact N-O 2.76Å; G353-G385 PolarHBondContact N-O 2.81Å; G353-R568 WeakPolarHBondContact O-CD 3.21Å
354	P	98.4	Very high	94.1	Very high	13 Å²	13	16.5 Å²	16.5	8%	0.084	9%	0.092	C	C	.	.			cis	-72.2	146	9.7	-21.1	34.7	0	0	0	114.3	P386 D389 T570	P354-P386 HydrophobicContact CG-CG 4.37Å; P354-D389 WeakPolarHBondContact CG-OD2 3.19Å; P354-T570 VanDerWaalsContact O-CB 3.22Å; P354-T570 WeakPolarHBondContact O-CB 3.36Å; P354-T570 PolarHBondContact O-N 3.15Å; P354-T570 PolarHBondContact O-OG1 3.06Å
355	Y	98.3	Very high	94.9	Very high	1 Å²	1	11.6 Å²	11.6	0%	0.004	7%	0.069	C	C	.	.			trans	-97.2	9.3	-178.8	-65.8	-91.4	0	0	0	113.9	A351 G353 L366 L369 F384 P386 F387 L569	A351-Y355 PolarHBondContact O-OH 2.99Å; G353-Y355 VanDerWaalsContact CA-CD2 3.48Å; G353-Y355 VanDerWaalsContact N-CE2 3.33Å; Y355-L366 HydrophobicContact CD1-CD1 3.61Å; Y355-L366 HydrophobicContact CE1-CD1 4.33Å; Y355-L366 HydrophobicContact CG-CD1 4.09Å; Y355-L366 PolarHBondContact O-N 2.9Å; Y355-L369 HydrophobicContact CD1-CD2 4.23Å; Y355-L369 HydrophobicContact CE1-CD2 3.77Å; Y355-F384 WeakPolarHBondContact CE2-O 3.29Å; Y355-F384 PolarHBondContact OH-N 3.13Å; Y355-F384 PolarHBondContact OH-O 2.96Å; Y355-P386 WeakPolarHBondContact CD2-O 3.11Å; Y355-F387 AromaticContact CD2-CD1 3.87Å; Y355-F387 HydrophobicContact CD2-CD1 3.87Å; Y355-F387 HydrophobicContact CD2-CE1 4.26Å; Y355-F387 HydrophobicContact CD2-CG 4.47Å; Y355-F387 AromaticContact CE2-CD1 3.6Å; Y355-F387 HydrophobicContact CE2-CD1 3.6Å; Y355-F387 AromaticContact CE2-CE1 3.57Å; Y355-F387 HydrophobicContact CE2-CE1 3.57Å; Y355-F387 HydrophobicContact CE2-CG 4.24Å; Y355-F387 HydrophobicContact CE2-CZ 4.15Å; Y355-F387 AromaticContact CZ-CE1 3.74Å; Y355-L569 HydrophobicContact CD1-CD2 3.4Å; Y355-L569 HydrophobicContact CE1-CD2 3.84Å; Y355-L569 HydrophobicContact CG-CD2 4.3Å
356	T	96.3	Very high	95.3	Very high	11 Å²	11	9.5 Å²	9.5	7%	0.067	6%	0.055	C	C	.	.	S	Bend	trans	-143.2	148.9	177.7	-166.2	0	0	0	0	110.4	S360 L361 F363	T356-S360 WeakPolarHBondContact CG2-O 3.32Å; T356-S360 PolarHBondContact OG1-O 3.19Å; T356-L361 HydrophobicContact CG2-CD2 4.05Å; T356-F363 HydrophobicContact CG2-CD1 4.47Å; T356-F363 HydrophobicContact CG2-CE1 4.27Å; T356-F363 PolarHBondContact OG1-N 3.34Å
357	P	95.2	Very high	95.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.067	C	C	.	.			trans	-65	151.8	174.7	-22.4	37.5	0	0	0	112	Y163 D359 S360 P365 H392 T570 G572	Y163-P357 HydrophobicContact CG-CG 4.13Å; P357-D359 VanDerWaalsContact CB-OD1 3.31Å; P357-D359 WeakPolarHBondContact CB-OD1 3.07Å; P357-D359 PolarHBondContact O-N 2.77Å; P357-S360 PolarHBondContact O-N 2.99Å; P357-P365 HydrophobicContact CG-CG 4.08Å; P357-H392 PolarHBondContact O-NE2 3.08Å; P357-T570 HydrophobicContact CB-CG2 4.31Å; P357-T570 HydrophobicContact CG-CG2 4.28Å; P357-G572 CarbonylContact C-O 3.58Å; P357-G572 WeakPolarHBondContact CA-O 3.41Å
358	S	92.9	Very high	95.8	Very high	42 Å²	42	12.6 Å²	12.6	29%	0.294	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.9	-175.9	63	0	0	0	0	114.9	H392 G572	S358-H392 PolarHBondContact O-NE2 2.8Å; S358-G572 PolarHBondContact N-O 3.07Å; S358-G572 VanDerWaalsContact OG-C 3.27Å; S358-G572 PolarHBondContact OG-O 3.17Å
359	D	88.9	Confident	95.9	Very high	42 Å²	42	12.7 Å²	12.7	23%	0.225	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	1.5	178.5	63.7	-23.3	0	0	0	113.4	P357 Q573	P357-D359 VanDerWaalsContact CB-OD1 3.31Å; P357-D359 WeakPolarHBondContact CB-OD1 3.07Å; P357-D359 PolarHBondContact O-N 2.77Å; D359-Q573 HydrophobicContact CB-CG 4.24Å
360	S	90.3	Very high	95.9	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	8%	0.075	C	C	.	.			trans	-149.1	151.7	-174.1	-169	0	0	0	0	114	P159 S160 T356 P357 T362 H392	P159-S360 WeakPolarHBondContact CB-OG 3.28Å; S160-S360 VanDerWaalsContact OG-CB 3.22Å; S160-S360 WeakPolarHBondContact OG-CB 3.49Å; S160-S360 PolarHBondContact OG-OG 3.38Å; T356-S360 WeakPolarHBondContact CG2-O 3.32Å; T356-S360 PolarHBondContact OG1-O 3.19Å; P357-S360 PolarHBondContact O-N 2.99Å; S360-T362 WeakPolarHBondContact OG-CB 3.22Å; S360-T362 VanDerWaalsContact OG-CG2 3.31Å; S360-T362 WeakPolarHBondContact OG-CG2 3.13Å; S360-T362 PolarHBondContact OG-N 3.47Å; S360-T362 VanDerWaalsContact OG-N 3.15Å; S360-T362 PolarHBondContact OG-OG1 3.29Å; S360-H392 PolarHBondContact O-NE2 2.77Å
361	L	90.6	Very high	95.8	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.047	10%	0.098	C	C	.	.	S	Bend	trans	-113.7	29.5	168.9	-67.4	178.1	0	0	0	111.5	P150 T356 F363 H392 Q394 I395 V400	P150-L361 WeakPolarHBondContact CD-O 3.14Å; P150-L361 HydrophobicContact CG-CB 3.84Å; P150-L361 HydrophobicContact CG-CD1 4.18Å; T356-L361 HydrophobicContact CG2-CD2 4.05Å; L361-F363 HydrophobicContact CB-CE2 4.41Å; L361-F363 WeakPolarHBondContact O-CD2 3.49Å; L361-F363 WeakPolarHBondContact O-CE2 3.07Å; L361-H392 VanDerWaalsContact CD2-CE1 3.42Å; L361-H392 WeakPolarHBondContact CD2-CE1 3.26Å; L361-Q394 HydrophobicContact CD1-CB 3.95Å; L361-Q394 HydrophobicContact CG-CB 4.49Å; L361-I395 HydrophobicContact CD1-CD1 4.28Å; L361-V400 HydrophobicContact CD1-CG1 3.47Å; L361-V400 VanDerWaalsContact CD1-CG1 3.47Å
362	T	89.2	Confident	95.7	Very high	18 Å²	18	17.9 Å²	17.9	11%	0.11	10%	0.099	C	C	.	.	S	Bend	trans	-82.7	-13.2	176.7	46.6	0	0	0	0	113	P159 S160 S360 D364	P159-T362 HydrophobicContact CB-CG2 4.37Å; S160-T362 PolarHBondContact OG-OG1 2.86Å; S160-T362 VanDerWaalsContact OG-OG1 3.06Å; S360-T362 WeakPolarHBondContact OG-CB 3.22Å; S360-T362 VanDerWaalsContact OG-CG2 3.31Å; S360-T362 WeakPolarHBondContact OG-CG2 3.13Å; S360-T362 PolarHBondContact OG-N 3.47Å; S360-T362 VanDerWaalsContact OG-N 3.15Å; S360-T362 PolarHBondContact OG-OG1 3.29Å; T362-D364 VanDerWaalsContact C-N 3.26Å; T362-D364 WeakPolarHBondContact CB-OD2 3.48Å; T362-D364 PolarHBondContact O-N 3.17Å; T362-D364 PolarHBondContact OG1-OD2 2.79Å
363	F	95.4	Very high	95.6	Very high	15 Å²	15	17.9 Å²	17.9	7%	0.066	10%	0.1	C	C	.	.			trans	56.1	34.4	178.8	-64.9	-93.7	0	0	0	113.9	T356 L361 P365 L366 I367 F387 I407	T356-F363 HydrophobicContact CG2-CD1 4.47Å; T356-F363 HydrophobicContact CG2-CE1 4.27Å; T356-F363 PolarHBondContact OG1-N 3.34Å; L361-F363 HydrophobicContact CB-CE2 4.41Å; L361-F363 WeakPolarHBondContact O-CD2 3.49Å; L361-F363 WeakPolarHBondContact O-CE2 3.07Å; F363-P365 VanDerWaalsContact C-CD 3.46Å; F363-P365 VanDerWaalsContact C-N 3.35Å; F363-L366 HydrophobicContact CB-CB 3.93Å; F363-L366 HydrophobicContact CB-CD2 4.18Å; F363-L366 HydrophobicContact CD1-CD2 4.22Å; F363-L366 HydrophobicContact CG-CD2 4.49Å; F363-L366 VanDerWaalsContact O-CB 3.23Å; F363-L366 WeakPolarHBondContact O-CB 3.23Å; F363-L366 PolarHBondContact O-N 2.89Å; F363-I367 WeakPolarHBondContact O-CG1 3.49Å; F363-I367 PolarHBondContact O-N 2.99Å; F363-I367 VanDerWaalsContact O-N 3.12Å; F363-F387 WeakPolarHBondContact CE1-O 3.15Å; F363-I407 HydrophobicContact CE2-CG2 4.19Å; F363-I407 HydrophobicContact CZ-CG2 4Å
364	D	95.9	Very high	95.5	Very high	33 Å²	33	20.3 Å²	20.3	18%	0.176	11%	0.114	C	C	.	.	H	α-helix	trans	-55.3	-40.6	178.1	-53.1	-75.1	0	0	0	113.8	S160 Y163 T362 L366 I367 D368	S160-D364 WeakPolarHBondContact CB-OD2 3.26Å; S160-D364 PolarHBondContact OG-OD2 3.44Å; Y163-D364 HydrophobicContact CD1-CB 3.68Å; Y163-D364 HydrophobicContact CE1-CB 3.54Å; T362-D364 VanDerWaalsContact C-N 3.26Å; T362-D364 WeakPolarHBondContact CB-OD2 3.48Å; T362-D364 PolarHBondContact O-N 3.17Å; T362-D364 PolarHBondContact OG1-OD2 2.79Å; D364-L366 VanDerWaalsContact C-N 3.32Å; D364-L366 PolarHBondContact O-N 3.5Å; D364-I367 PolarHBondContact O-N 2.82Å; D364-D368 PolarHBondContact O-N 3.37Å
365	P	97.4	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60	-37.1	172.7	-20.8	31.3	0	0	0	114	Y163 P357 F363 D368 L369 L569 T570	Y163-P365 HydrophobicContact CD2-CG 3.96Å; Y163-P365 HydrophobicContact CE1-CG 4.2Å; Y163-P365 HydrophobicContact CE2-CB 4.01Å; Y163-P365 HydrophobicContact CE2-CG 3.61Å; Y163-P365 HydrophobicContact CG-CG 4.41Å; Y163-P365 VanDerWaalsContact OH-CA 3.32Å; Y163-P365 WeakPolarHBondContact OH-CA 3.31Å; P357-P365 HydrophobicContact CG-CG 4.08Å; F363-P365 VanDerWaalsContact C-CD 3.46Å; F363-P365 VanDerWaalsContact C-N 3.35Å; P365-D368 PolarHBondContact O-N 2.89Å; P365-L369 WeakPolarHBondContact O-CB 3.04Å; P365-L369 PolarHBondContact O-N 3.3Å; P365-L569 HydrophobicContact CB-CD2 4.08Å; P365-L569 HydrophobicContact CB-CG 4.34Å; P365-T570 WeakPolarHBondContact CB-OG1 3.3Å; P365-T570 HydrophobicContact CG-CG2 4.15Å; P365-T570 VanDerWaalsContact CG-OG1 3.32Å; P365-T570 WeakPolarHBondContact CG-OG1 3.42Å
366	L	98.3	Very high	95	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-46.4	175.1	-173.9	66	0	0	0	111.5	Y355 F363 D364 D368 L369 I370 C411 I415	Y355-L366 HydrophobicContact CD1-CD1 3.61Å; Y355-L366 HydrophobicContact CE1-CD1 4.33Å; Y355-L366 HydrophobicContact CG-CD1 4.09Å; Y355-L366 PolarHBondContact O-N 2.9Å; F363-L366 HydrophobicContact CB-CB 3.93Å; F363-L366 HydrophobicContact CB-CD2 4.18Å; F363-L366 HydrophobicContact CD1-CD2 4.22Å; F363-L366 HydrophobicContact CG-CD2 4.49Å; F363-L366 VanDerWaalsContact O-CB 3.23Å; F363-L366 WeakPolarHBondContact O-CB 3.23Å; F363-L366 PolarHBondContact O-N 2.89Å; D364-L366 VanDerWaalsContact C-N 3.32Å; D364-L366 PolarHBondContact O-N 3.5Å; L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 3.29Å; L366-L369 WeakPolarHBondContact O-CB 3.38Å; L366-L369 PolarHBondContact O-N 3.46Å; L366-I370 HydrophobicContact CG-CD1 4.19Å; L366-I370 WeakPolarHBondContact O-CG1 3.3Å; L366-I370 PolarHBondContact O-N 3.23Å; L366-C411 HydrophobicContact CD2-CB 4.45Å; L366-C411 WeakPolarHBondContact CD2-SG 3.15Å; L366-I415 HydrophobicContact CD1-CD1 3.76Å; L366-I415 HydrophobicContact CD1-CG1 3.62Å; L366-I415 HydrophobicContact CD2-CG1 4.43Å; L366-I415 HydrophobicContact CG-CG1 4.3Å
367	I	97.4	Very high	94.8	Very high	49 Å²	49	30.9 Å²	30.9	25%	0.251	15%	0.152	S	C	.	.	H	α-helix	trans	-62.6	-43.2	179.6	-60.8	167.4	0	0	0	109.8	L148 F363 D364 L369 I370 N371	L148-I367 HydrophobicContact CD1-CD1 3.81Å; L148-I367 HydrophobicContact CD1-CG1 3.96Å; F363-I367 WeakPolarHBondContact O-CG1 3.49Å; F363-I367 PolarHBondContact O-N 2.99Å; F363-I367 VanDerWaalsContact O-N 3.12Å; D364-I367 PolarHBondContact O-N 2.82Å; I367-L369 VanDerWaalsContact C-N 3.34Å; I367-L369 PolarHBondContact O-N 3.39Å; I367-I370 PolarHBondContact O-N 3.03Å; I367-N371 PolarHBondContact O-N 3.44Å; I367-N371 PolarHBondContact O-ND2 3.19Å; I367-N371 VanDerWaalsContact O-ND2 3.16Å
368	D	97.9	Very high	94.8	Very high	22 Å²	22	31 Å²	31	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-39.2	174.5	-84.2	-41.6	0	0	0	112.6	Y163 R166 K169 D364 P365 L366 N371 V372 I606	Y163-D368 WeakPolarHBondContact CE1-OD2 3.43Å; Y163-D368 WeakPolarHBondContact OH-CB 3.36Å; Y163-D368 PolarHBondContact OH-OD2 3.45Å; R166-D368 IonicContact CZ-OD2 3.98Å; R166-D368 IonicContact NH1-OD2 3.15Å; R166-D368 IonicContact NH2-OD1 3.76Å; R166-D368 IonicContact NH2-OD2 2.91Å; R166-D368 PolarHBondContact NH2-OD2 3.31Å; K169-D368 IonicContact NZ-OD1 2.81Å; K169-D368 PolarHBondContact NZ-OD1 2.9Å; K169-D368 IonicContact NZ-OD2 3.86Å; D364-D368 PolarHBondContact O-N 3.37Å; P365-D368 PolarHBondContact O-N 2.89Å; L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 3.29Å; D368-N371 WeakPolarHBondContact O-CB 2.9Å; D368-N371 PolarHBondContact O-N 3.04Å; D368-V372 WeakPolarHBondContact O-CG2 3.43Å; D368-V372 PolarHBondContact O-N 3.4Å; D368-I606 HydrophobicContact CB-CD1 4.26Å; D368-I606 HydrophobicContact CB-CG1 4.12Å
369	L	98.5	Very high	94.8	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-43.8	174.8	178.7	64.8	0	0	0	111.7	L349 A351 Y355 P365 L366 I367 N371 V372 I373 L383 L569 I606	L349-L369 HydrophobicContact CD1-CD1 4.43Å; L349-L369 HydrophobicContact CD2-CD1 4.03Å; A351-L369 HydrophobicContact CB-CD1 4.19Å; A351-L369 HydrophobicContact CB-CD2 3.75Å; Y355-L369 HydrophobicContact CD1-CD2 4.23Å; Y355-L369 HydrophobicContact CE1-CD2 3.77Å; P365-L369 WeakPolarHBondContact O-CB 3.04Å; P365-L369 PolarHBondContact O-N 3.3Å; L366-L369 WeakPolarHBondContact O-CB 3.38Å; L366-L369 PolarHBondContact O-N 3.46Å; I367-L369 VanDerWaalsContact C-N 3.34Å; I367-L369 PolarHBondContact O-N 3.39Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 2.87Å; L369-V372 WeakPolarHBondContact O-CB 3.42Å; L369-V372 PolarHBondContact O-N 3.3Å; L369-V372 VanDerWaalsContact O-N 3.11Å; L369-I373 HydrophobicContact CG-CD1 4.12Å; L369-I373 WeakPolarHBondContact O-CG1 3.37Å; L369-I373 PolarHBondContact O-N 3.41Å; L369-L383 HydrophobicContact CD2-CD2 4.08Å; L369-L569 HydrophobicContact CB-CD2 4.13Å; L369-L569 HydrophobicContact CD1-CD1 4.39Å; L369-L569 HydrophobicContact CD2-CD2 3.92Å; L369-I606 HydrophobicContact CB-CD1 4.24Å; L369-I606 HydrophobicContact CD1-CD1 4.44Å
370	I	98.3	Very high	95.1	Very high	19 Å²	19	27.8 Å²	27.8	10%	0.097	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-44.8	174.3	-68.5	162.6	0	0	0	110	L366 I367 V372 I373 V374 S414 I415 T419	L366-I370 HydrophobicContact CG-CD1 4.19Å; L366-I370 WeakPolarHBondContact O-CG1 3.3Å; L366-I370 PolarHBondContact O-N 3.23Å; I367-I370 PolarHBondContact O-N 3.03Å; I370-V372 VanDerWaalsContact C-N 3.31Å; I370-V372 PolarHBondContact O-N 2.95Å; I370-I373 PolarHBondContact O-N 3.48Å; I370-I373 VanDerWaalsContact O-N 3.17Å; I370-V374 HydrophobicContact CG2-CG2 4.41Å; I370-V374 WeakPolarHBondContact O-CG2 3.39Å; I370-V374 PolarHBondContact O-N 2.97Å; I370-S414 WeakPolarHBondContact CD1-O 3.45Å; I370-I415 HydrophobicContact CD1-CG1 4.48Å; I370-T419 HydrophobicContact CG2-CG2 4.45Å
371	N	97.3	Very high	95.5	Very high	88 Å²	88	27.7 Å²	27.7	47%	0.471	13%	0.132	S	C	.	.	H	α-helix	trans	-61.6	-37.7	176.3	-69.5	-37	0	0	0	112.5	I367 D368 L369 V374 R375	I367-N371 PolarHBondContact O-N 3.44Å; I367-N371 PolarHBondContact O-ND2 3.19Å; I367-N371 VanDerWaalsContact O-ND2 3.16Å; D368-N371 WeakPolarHBondContact O-CB 2.9Å; D368-N371 PolarHBondContact O-N 3.04Å; L369-N371 VanDerWaalsContact C-N 3.29Å; L369-N371 PolarHBondContact O-N 2.87Å; N371-V374 PolarHBondContact O-N 3.39Å; N371-R375 VanDerWaalsContact O-CB 3.28Å; N371-R375 WeakPolarHBondContact O-CB 3.16Å; N371-R375 PolarHBondContact O-N 2.91Å
372	V	96.8	Very high	95.9	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-63.5	-46.3	172.8	169.1	0	0	0	0	111	L349 D368 L369 I370 V374 R375 D376 Y578 I606	L349-V372 HydrophobicContact CD1-CG1 4.03Å; D368-V372 WeakPolarHBondContact O-CG2 3.43Å; D368-V372 PolarHBondContact O-N 3.4Å; L369-V372 WeakPolarHBondContact O-CB 3.42Å; L369-V372 PolarHBondContact O-N 3.3Å; L369-V372 VanDerWaalsContact O-N 3.11Å; I370-V372 VanDerWaalsContact C-N 3.31Å; I370-V372 PolarHBondContact O-N 2.95Å; V372-V374 VanDerWaalsContact C-N 3.31Å; V372-V374 PolarHBondContact O-N 3.09Å; V372-R375 PolarHBondContact O-N 3.13Å; V372-D376 WeakPolarHBondContact O-CB 3.34Å; V372-D376 PolarHBondContact O-N 3.16Å; V372-Y578 HydrophobicContact CG1-CE1 4.36Å; V372-Y578 HydrophobicContact CG1-CE2 3.9Å; V372-Y578 WeakPolarHBondContact CG1-OH 3.33Å; V372-Y578 HydrophobicContact CG2-CE1 4.48Å; V372-I606 HydrophobicContact CG2-CD1 3.89Å
373	I	96.4	Very high	96.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.2	-41.8	178	-65.1	165.1	0	0	0	110.4	L349 L369 I370 R377 P378 T419 C424	L349-I373 HydrophobicContact CD1-CG1 4.02Å; L349-I373 HydrophobicContact CD2-CG1 4.46Å; L369-I373 HydrophobicContact CG-CD1 4.12Å; L369-I373 WeakPolarHBondContact O-CG1 3.37Å; L369-I373 PolarHBondContact O-N 3.41Å; I370-I373 PolarHBondContact O-N 3.48Å; I370-I373 VanDerWaalsContact O-N 3.17Å; I373-R377 VanDerWaalsContact O-CA 3.26Å; I373-R377 WeakPolarHBondContact O-CA 3.27Å; I373-R377 PolarHBondContact O-N 3.4Å; I373-P378 HydrophobicContact CG2-CG 4.08Å; I373-P378 WeakPolarHBondContact O-CD 3.38Å; I373-T419 HydrophobicContact CB-CG2 4.04Å; I373-T419 HydrophobicContact CD1-CG2 4.14Å; I373-T419 HydrophobicContact CG2-CG2 3.56Å; I373-C424 VanDerWaalsContact CG2-SG 3.6Å
374	V	95.6	Very high	96.5	Very high	51 Å²	51	25.7 Å²	25.7	31%	0.309	12%	0.122	S	C	.	.	H	α-helix	trans	-64.1	-41.4	176.7	173.4	0	0	0	0	112.3	I370 N371 V372 R377 G418 V422	I370-V374 HydrophobicContact CG2-CG2 4.41Å; I370-V374 WeakPolarHBondContact O-CG2 3.39Å; I370-V374 PolarHBondContact O-N 2.97Å; N371-V374 PolarHBondContact O-N 3.39Å; V372-V374 VanDerWaalsContact C-N 3.31Å; V372-V374 PolarHBondContact O-N 3.09Å; V374-R377 WeakPolarHBondContact O-CG 3.35Å; V374-G418 WeakPolarHBondContact CG2-O 3.39Å; V374-V422 HydrophobicContact CB-CG2 4.28Å; V374-V422 HydrophobicContact CG2-CG2 4.08Å
375	R	93.2	Very high	96.6	Very high	137 Å²	137	24.1 Å²	24.1	52%	0.517	11%	0.113	S	C	.	.	H	α-helix	trans	-69.7	-51.6	179.3	-177.2	-167.2	70.4	-159.1	-5.6	112.1	N371 V372	N371-R375 VanDerWaalsContact O-CB 3.28Å; N371-R375 WeakPolarHBondContact O-CB 3.16Å; N371-R375 PolarHBondContact O-N 2.91Å; V372-R375 PolarHBondContact O-N 3.13Å
376	D	92.8	Very high	96.7	Very high	16 Å²	16	24.2 Å²	24.2	9%	0.086	11%	0.114	C	C	.	.	H	α-helix	trans	-85.6	-21.4	-171.1	-66.9	-6.5	0	0	0	111.4	T185 G186 V372 R580	T185-D376 WeakPolarHBondContact CA-O 3.48Å; T185-D376 WeakPolarHBondContact CB-O 3.46Å; G186-D376 PolarHBondContact N-O 3.03Å; V372-D376 WeakPolarHBondContact O-CB 3.34Å; V372-D376 PolarHBondContact O-N 3.16Å; D376-R580 IonicContact OD2-NH1 2.84Å
377	R	93.6	Very high	96.7	Very high	93 Å²	93	24.1 Å²	24.1	35%	0.351	11%	0.113	S	C	.	.			trans	49.6	55.3	178.7	-54.6	-175.7	67.6	86.6	-0.6	112.9	G186 I373 V374 S421 V422	G186-R377 WeakPolarHBondContact CA-O 3.41Å; G186-R377 PolarHBondContact N-O 3.44Å; I373-R377 VanDerWaalsContact O-CA 3.26Å; I373-R377 WeakPolarHBondContact O-CA 3.27Å; I373-R377 PolarHBondContact O-N 3.4Å; V374-R377 WeakPolarHBondContact O-CG 3.35Å; R377-S421 PolarHBondContact NH1-O 3.13Å; R377-S421 PolarHBondContact NH2-O 2.71Å; R377-V422 HydrophobicContact CB-CG1 3.74Å; R377-V422 HydrophobicContact CG-CG1 4Å; R377-V422 HydrophobicContact CG-CG2 4.35Å; R377-V422 PolarHBondContact NH2-O 3.27Å; R377-V422 VanDerWaalsContact NH2-O 3.09Å
378	P	94.1	Very high	96.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.019	10%	0.102	C	C	.	.			trans	-60.6	155.3	177.1	29.9	-36.4	0	0	0	110.8	L349 I373 C381 C424	L349-P378 HydrophobicContact CB-CB 3.9Å; L349-P378 HydrophobicContact CB-CG 3.93Å; L349-P378 HydrophobicContact CD1-CG 4.44Å; I373-P378 HydrophobicContact CG2-CG 4.08Å; I373-P378 WeakPolarHBondContact O-CD 3.38Å; P378-C381 WeakPolarHBondContact CG-SG 3.47Å; P378-C424 WeakPolarHBondContact O-CB 3.26Å
379	D	93.5	Very high	96.7	Very high	17 Å²	17	21.7 Å²	21.7	9%	0.091	10%	0.101	C	C	.	.	S	Bend	trans	-74.5	-39.6	176.5	-60	-74.7	0	0	0	110.8	G186 R187 V194 L346 N347 H425	G186-D379 WeakPolarHBondContact CA-OD2 3.39Å; R187-D379 WeakPolarHBondContact CB-OD1 3.05Å; R187-D379 WeakPolarHBondContact CG-OD1 3.45Å; R187-D379 PolarHBondContact N-OD1 2.79Å; R187-D379 IonicContact NE-OD1 3.73Å; V194-D379 HydrophobicContact CG2-CB 4.05Å; L346-D379 HydrophobicContact CD2-CB 4.03Å; N347-D379 PolarHBondContact N-OD2 2.87Å; N347-D379 PolarHBondContact O-N 3.28Å; D379-H425 PolarHBondContact O-N 3.38Å
380	V	95.9	Very high	96.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.1	176.7	-170.6	0	0	0	0	111	V194 V196 N347 I348 L349 L382 H425 V427 I472	V194-V380 HydrophobicContact CB-CG2 4.27Å; V194-V380 HydrophobicContact CG1-CG2 3.72Å; V194-V380 HydrophobicContact CG2-CG2 4.39Å; V196-V380 HydrophobicContact CG2-CG2 4.29Å; N347-V380 PolarHBondContact O-N 2.8Å; I348-V380 CarbonylContact C-O 3.31Å; I348-V380 WeakPolarHBondContact CA-O 3.33Å; I348-V380 HydrophobicContact CD1-CB 3.77Å; I348-V380 HydrophobicContact CD1-CG2 3.85Å; I348-V380 HydrophobicContact CG2-CB 4.49Å; L349-V380 PolarHBondContact N-O 2.84Å; V380-L382 HydrophobicContact CG1-CD2 4.01Å; V380-H425 CarbonylContact C-O 3.59Å; V380-H425 VanDerWaalsContact CA-O 3.3Å; V380-H425 WeakPolarHBondContact CA-O 3.43Å; V380-H425 HydrophobicContact CG1-CB 4.43Å; V380-H425 HydrophobicContact CG2-CB 4.26Å; V380-V427 HydrophobicContact CG1-CG2 3.93Å; V380-I472 HydrophobicContact CG1-CD1 4.39Å; V380-I472 HydrophobicContact CG2-CG2 4.1Å
381	C	97.9	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	118.3	169.5	-63.8	0	0	0	0	110.2	L349 P378 L383 H425 L426 V427	L349-C381 CarbonylContact O-C 3.53Å; L349-C381 WeakPolarHBondContact O-CA 3.3Å; P378-C381 WeakPolarHBondContact CG-SG 3.47Å; C381-L383 HydrophobicContact CB-CD2 4.32Å; C381-L383 HydrophobicContact CB-CG 4.21Å; C381-H425 PolarHBondContact N-O 3.09Å; C381-L426 HydrophobicContact CB-CD2 3.78Å; C381-V427 PolarHBondContact O-N 3.19Å
382	L	98.8	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	110.3	169.4	-51.9	-176.5	0	0	0	108.8	I348 L349 V350 A351 V380 F384 V427 I472 F477 L479	I348-L382 HydrophobicContact CG2-CD1 4.12Å; I348-L382 HydrophobicContact CG2-CG 4.02Å; L349-L382 PolarHBondContact O-N 3.44Å; V350-L382 WeakPolarHBondContact CA-O 3.45Å; V350-L382 HydrophobicContact CG1-CB 4.39Å; V350-L382 HydrophobicContact CG2-CB 4.26Å; V350-L382 HydrophobicContact CG2-CD1 4.12Å; V350-L382 HydrophobicContact CG2-CG 4.4Å; A351-L382 PolarHBondContact N-O 2.59Å; V380-L382 HydrophobicContact CG1-CD2 4.01Å; L382-F384 HydrophobicContact CB-CE2 4.05Å; L382-V427 HydrophobicContact CD2-CB 3.66Å; L382-V427 HydrophobicContact CD2-CG1 4.11Å; L382-V427 HydrophobicContact CD2-CG2 3.77Å; L382-I472 HydrophobicContact CD2-CD1 4.11Å; L382-F477 HydrophobicContact CD1-CD1 3.96Å; L382-F477 HydrophobicContact CD1-CE1 4.24Å; L382-L479 HydrophobicContact CD1-CD1 4.46Å; L382-L479 HydrophobicContact CD1-CD2 3.86Å
383	L	98.8	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108.6	-174.3	-57.7	179	0	0	0	109.6	L349 A351 L369 C381 F387 I415 V427 F428 V429	L349-L383 HydrophobicContact CD2-CD2 4.44Å; A351-L383 HydrophobicContact CB-CD2 3.98Å; A351-L383 WeakPolarHBondContact O-CA 3.44Å; L369-L383 HydrophobicContact CD2-CD2 4.08Å; C381-L383 HydrophobicContact CB-CD2 4.32Å; C381-L383 HydrophobicContact CB-CG 4.21Å; L383-F387 HydrophobicContact CB-CE1 4.34Å; L383-F387 HydrophobicContact CB-CZ 3.99Å; L383-I415 HydrophobicContact CD1-CD1 4.26Å; L383-I415 HydrophobicContact CD1-CG2 3.72Å; L383-V427 PolarHBondContact N-O 2.7Å; L383-F428 HydrophobicContact CB-CD1 4.17Å; L383-F428 HydrophobicContact CB-CE1 4.37Å; L383-F428 HydrophobicContact CD1-CD1 4.36Å; L383-F428 HydrophobicContact CD1-CE1 3.77Å; L383-F428 HydrophobicContact CD1-CZ 4.22Å; L383-F428 WeakPolarHBondContact O-CA 3.35Å; L383-V429 PolarHBondContact O-N 3.29Å
384	F	98.9	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.5	179.5	-65.8	-106.6	0	0	0	110.6	V350 A351 C352 G353 Y355 L382 V429 L479 T480 V546 P548	V350-F384 HydrophobicContact CG1-CD2 4.36Å; V350-F384 HydrophobicContact CG1-CE2 3.93Å; A351-F384 PolarHBondContact O-N 2.84Å; C352-F384 WeakPolarHBondContact CA-O 3.36Å; C352-F384 HydrophobicContact CB-CB 3.81Å; G353-F384 PolarHBondContact N-O 2.76Å; Y355-F384 WeakPolarHBondContact CE2-O 3.29Å; Y355-F384 PolarHBondContact OH-N 3.13Å; Y355-F384 PolarHBondContact OH-O 2.96Å; L382-F384 HydrophobicContact CB-CE2 4.05Å; F384-V429 CarbonylContact C-O 3.59Å; F384-V429 WeakPolarHBondContact CA-O 3.4Å; F384-V429 HydrophobicContact CD1-CB 3.71Å; F384-V429 HydrophobicContact CD1-CG1 3.76Å; F384-V429 HydrophobicContact CD1-CG2 4.01Å; F384-V429 HydrophobicContact CD2-CG2 4.49Å; F384-V429 HydrophobicContact CE1-CB 4.07Å; F384-V429 HydrophobicContact CE1-CG1 3.92Å; F384-V429 HydrophobicContact CE1-CG2 3.95Å; F384-V429 HydrophobicContact CE2-CG2 4.41Å; F384-V429 HydrophobicContact CG-CB 4.1Å; F384-V429 HydrophobicContact CG-CG2 4.3Å; F384-V429 HydrophobicContact CZ-CG2 4.17Å; F384-L479 HydrophobicContact CE1-CB 4.02Å; F384-L479 HydrophobicContact CZ-CB 3.93Å; F384-L479 HydrophobicContact CZ-CD1 4.38Å; F384-L479 HydrophobicContact CZ-CD2 3.92Å; F384-L479 HydrophobicContact CZ-CG 4.3Å; F384-T480 WeakPolarHBondContact CE1-O 3.36Å; F384-V546 HydrophobicContact CE2-CB 4.42Å; F384-V546 HydrophobicContact CE2-CG1 3.63Å; F384-V546 HydrophobicContact CZ-CB 3.96Å; F384-V546 HydrophobicContact CZ-CG1 3.54Å; F384-P548 HydrophobicContact CD1-CG 4.05Å; F384-P548 HydrophobicContact CD2-CG 4.24Å; F384-P548 HydrophobicContact CE1-CG 4.26Å; F384-P548 HydrophobicContact CE2-CG 4.47Å; F384-P548 HydrophobicContact CG-CG 4.02Å; F384-P548 HydrophobicContact CZ-CG 4.45Å
385	G	98.4	Very high	96	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-60.4	178.5	168.4	0	0	0	0	0	113.5	C352 G353 V429	C352-G385 PolarHBondContact SG-O 2.87Å; G353-G385 PolarHBondContact N-O 2.81Å; G385-V429 PolarHBondContact N-O 3.19Å
386	P	98.3	Very high	96	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	12%	0.12	C	C	.	.			cis	-78	132.5	-3.1	30.2	-34.2	0	0	0	112.5	P354 Y355 D389 R433 D434	P354-P386 HydrophobicContact CG-CG 4.37Å; Y355-P386 WeakPolarHBondContact CD2-O 3.11Å; P386-D389 HydrophobicContact CB-CB 4.01Å; P386-D389 HydrophobicContact CG-CB 3.85Å; P386-R433 HydrophobicContact CB-CB 3.74Å; P386-R433 HydrophobicContact CG-CB 3.88Å; P386-D434 WeakPolarHBondContact CA-OD1 3.34Å
387	F	98.3	Very high	96.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	14%	0.14	C	C	.	.	S	Bend	trans	-78.8	-41.8	170.7	-66.4	-80.5	0	0	0	111.2	Y355 F363 L383 F408 I412 I415 F428 D434 F446	Y355-F387 AromaticContact CD2-CD1 3.87Å; Y355-F387 HydrophobicContact CD2-CD1 3.87Å; Y355-F387 HydrophobicContact CD2-CE1 4.26Å; Y355-F387 HydrophobicContact CD2-CG 4.47Å; Y355-F387 AromaticContact CE2-CD1 3.6Å; Y355-F387 HydrophobicContact CE2-CD1 3.6Å; Y355-F387 AromaticContact CE2-CE1 3.57Å; Y355-F387 HydrophobicContact CE2-CE1 3.57Å; Y355-F387 HydrophobicContact CE2-CG 4.24Å; Y355-F387 HydrophobicContact CE2-CZ 4.15Å; Y355-F387 AromaticContact CZ-CE1 3.74Å; F363-F387 WeakPolarHBondContact CE1-O 3.15Å; L383-F387 HydrophobicContact CB-CE1 4.34Å; L383-F387 HydrophobicContact CB-CZ 3.99Å; F387-F408 HydrophobicContact CB-CD2 3.87Å; F387-F408 HydrophobicContact CB-CE2 4.06Å; F387-F408 HydrophobicContact CD2-CE2 4.02Å; F387-F408 HydrophobicContact CG-CD2 4.46Å; F387-F408 HydrophobicContact CG-CE2 4.16Å; F387-I412 HydrophobicContact CD1-CD1 4.04Å; F387-I412 HydrophobicContact CD2-CD1 4.43Å; F387-I412 HydrophobicContact CE1-CD1 4.16Å; F387-I412 HydrophobicContact CG-CD1 4.19Å; F387-I412 HydrophobicContact CZ-CD1 4.44Å; F387-I415 HydrophobicContact CD1-CD1 4.25Å; F387-I415 HydrophobicContact CE1-CD1 3.94Å; F387-F428 HydrophobicContact CE1-CD1 4.02Å; F387-F428 HydrophobicContact CE1-CE1 4.15Å; F387-F428 HydrophobicContact CE2-CD1 4.19Å; F387-F428 AromaticContact CZ-CD1 3.55Å; F387-F428 HydrophobicContact CZ-CD1 3.55Å; F387-F428 HydrophobicContact CZ-CE1 4.14Å; F387-D434 PolarHBondContact N-OD1 3.32Å; F387-F446 AromaticContact CD2-CE2 3.94Å; F387-F446 HydrophobicContact CD2-CE2 3.94Å; F387-F446 AromaticContact CD2-CZ 3.88Å; F387-F446 HydrophobicContact CD2-CZ 3.88Å; F387-F446 AromaticContact CE2-CE2 3.73Å; F387-F446 HydrophobicContact CE2-CE2 3.73Å; F387-F446 HydrophobicContact CE2-CZ 4.1Å
388	V	97.4	Very high	96	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.152	C	C	.	.	S	Bend	trans	-123.6	98.7	169.9	-173.1	0	0	0	0	107.8	S390 I395 I407 F408 D434 V435	V388-S390 PolarHBondContact O-N 3.48Å; V388-I395 HydrophobicContact CG1-CD1 3.86Å; V388-I395 HydrophobicContact CG1-CG1 4.2Å; V388-I407 HydrophobicContact CG1-CG2 4.27Å; V388-I407 HydrophobicContact CG2-CB 4.22Å; V388-I407 HydrophobicContact CG2-CG2 3.8Å; V388-F408 HydrophobicContact CG2-CB 3.89Å; V388-D434 PolarHBondContact N-OD1 2.99Å; V388-V435 HydrophobicContact CB-CG1 4.07Å; V388-V435 HydrophobicContact CG1-CG1 3.61Å; V388-V435 PolarHBondContact O-N 3.42Å
389	D	97.5	Very high	95.9	Very high	17 Å²	17	33.8 Å²	33.8	9%	0.091	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-75.4	119.8	-169.9	-175	7.5	0	0	0	112.2	P354 P386 K391 H392 R433	P354-D389 WeakPolarHBondContact CG-OD2 3.19Å; P386-D389 HydrophobicContact CB-CB 4.01Å; P386-D389 HydrophobicContact CG-CB 3.85Å; D389-K391 PolarHBondContact O-N 3.24Å; D389-K391 PolarHBondContact OD1-N 3.39Å; D389-H392 HydrophobicContact CB-CB 4.23Å; D389-H392 VanDerWaalsContact O-CB 3.26Å; D389-H392 WeakPolarHBondContact O-CB 3.33Å; D389-H392 PolarHBondContact O-N 2.95Å; D389-R433 CarbonylContact C-O 3.5Å; D389-R433 WeakPolarHBondContact CA-O 3.41Å; D389-R433 VanDerWaalsContact CG-NH2 3.27Å; D389-R433 IonicContact OD1-CZ 2.71Å; D389-R433 IonicContact OD1-NE 2.97Å; D389-R433 PolarHBondContact OD1-NE 2.94Å; D389-R433 IonicContact OD1-NH2 3.63Å; D389-R433 PolarHBondContact OD1-NH2 3.47Å; D389-R433 VanDerWaalsContact OD1-NH2 3.17Å; D389-R433 IonicContact OD2-CZ 2.73Å; D389-R433 IonicContact OD2-NE 2.77Å; D389-R433 IonicContact OD2-NH2 3.14Å; D389-R433 PolarHBondContact OD2-NH2 3.11Å
390	S	96.8	Very high	95.8	Very high	38 Å²	38	33.9 Å²	33.9	27%	0.266	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24	175.8	63	0	0	0	0	113	V388 R433	V388-S390 PolarHBondContact O-N 3.48Å; S390-R433 PolarHBondContact N-O 3.27Å; S390-R433 PolarHBondContact OG-O 3.38Å
391	K	95	Very high	95.6	Very high	89 Å²	89	37.2 Å²	37.2	39%	0.387	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.7	175.9	-60.4	-166.8	176.9	-175.7	0	113.8	D389	D389-K391 PolarHBondContact O-N 3.24Å; D389-K391 PolarHBondContact OD1-N 3.39Å
392	H	95.9	Very high	95.3	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.046	21%	0.207	C	C	.	.	S	Bend	trans	-72.1	131.2	174.5	-177	-81.3	0	0	0	110.2	P357 S358 S360 L361 D389 Q394 I395 E396	P357-H392 PolarHBondContact O-NE2 3.08Å; S358-H392 PolarHBondContact O-NE2 2.8Å; S360-H392 PolarHBondContact O-NE2 2.77Å; L361-H392 VanDerWaalsContact CD2-CE1 3.42Å; L361-H392 WeakPolarHBondContact CD2-CE1 3.26Å; D389-H392 HydrophobicContact CB-CB 4.23Å; D389-H392 VanDerWaalsContact O-CB 3.26Å; D389-H392 WeakPolarHBondContact O-CB 3.33Å; D389-H392 PolarHBondContact O-N 2.95Å; H392-Q394 VanDerWaalsContact C-N 3.26Å; H392-Q394 PolarHBondContact ND1-N 2.87Å; H392-Q394 PolarHBondContact O-N 3.33Å; H392-Q394 VanDerWaalsContact O-N 3.07Å; H392-I395 HydrophobicContact CB-CB 4.21Å; H392-I395 HydrophobicContact CB-CG1 3.96Å; H392-I395 WeakPolarHBondContact O-CA 3.39Å; H392-I395 WeakPolarHBondContact O-CB 3.34Å; H392-I395 PolarHBondContact O-N 2.89Å; H392-E396 PolarHBondContact O-N 2.95Å
393	E	92.3	Very high	95.1	Very high	84 Å²	84	44.4 Å²	44.4	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-54.6	-39.5	-169.1	-162.8	-150.2	141.2	0	0	113.6	K397 K399	E393-K397 HydrophobicContact CG-CD 3.98Å; E393-K397 VanDerWaalsContact O-CB 3.31Å; E393-K397 WeakPolarHBondContact O-CB 3.38Å; E393-K397 WeakPolarHBondContact O-CG 3.44Å; E393-K397 PolarHBondContact O-N 2.8Å; E393-K397 VanDerWaalsContact O-N 3.17Å; E393-K397 IonicContact OE1-NZ 2.64Å; E393-K397 PolarHBondContact OE1-NZ 3.2Å; E393-K399 IonicContact OE1-NZ 3.55Å; E393-K399 PolarHBondContact OE1-NZ 2.74Å
394	Q	92.1	Very high	95	Very high	22 Å²	22	47.7 Å²	47.7	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-74	-26.4	179.3	-62.3	-179	56.7	0	0	113.2	N152 L361 H392 K399	N152-Q394 PolarHBondContact ND2-OE1 3.17Å; L361-Q394 HydrophobicContact CD1-CB 3.95Å; L361-Q394 HydrophobicContact CG-CB 4.49Å; H392-Q394 VanDerWaalsContact C-N 3.26Å; H392-Q394 PolarHBondContact ND1-N 2.87Å; H392-Q394 PolarHBondContact O-N 3.33Å; H392-Q394 VanDerWaalsContact O-N 3.07Å; Q394-K399 HydrophobicContact CB-CB 4.34Å; Q394-K399 PolarHBondContact O-N 2.87Å
395	I	95.7	Very high	94.8	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-79.7	-51.5	178	-61.9	-61.1	0	0	0	109.2	L361 V388 H392 K397 A398 V400 F404 I407 V435	L361-I395 HydrophobicContact CD1-CD1 4.28Å; V388-I395 HydrophobicContact CG1-CD1 3.86Å; V388-I395 HydrophobicContact CG1-CG1 4.2Å; H392-I395 HydrophobicContact CB-CB 4.21Å; H392-I395 HydrophobicContact CB-CG1 3.96Å; H392-I395 WeakPolarHBondContact O-CA 3.39Å; H392-I395 WeakPolarHBondContact O-CB 3.34Å; H392-I395 PolarHBondContact O-N 2.89Å; I395-K397 VanDerWaalsContact C-N 3.31Å; I395-K397 PolarHBondContact O-N 2.99Å; I395-A398 PolarHBondContact O-N 3.4Å; I395-V400 HydrophobicContact CD1-CG1 3.87Å; I395-V400 HydrophobicContact CD1-CG2 4.41Å; I395-F404 HydrophobicContact CD1-CD1 4.24Å; I395-F404 HydrophobicContact CD1-CE1 4.18Å; I395-F404 HydrophobicContact CG2-CD1 4.23Å; I395-F404 HydrophobicContact CG2-CE1 3.76Å; I395-F404 HydrophobicContact CG2-CZ 4.13Å; I395-I407 HydrophobicContact CD1-CD1 4.23Å; I395-V435 HydrophobicContact CG2-CB 4.07Å; I395-V435 HydrophobicContact CG2-CG1 3.88Å; I395-V435 HydrophobicContact CG2-CG2 3.85Å
396	E	94.7	Very high	94.7	Very high	137 Å²	137	53.9 Å²	53.9	64%	0.64	28%	0.28	S	S	*	.	H	α-helix	trans	-57.6	-42.2	179.3	-173.6	-176.7	-157.8	0	0	112.1	H392 A398	H392-E396 PolarHBondContact O-N 2.95Å; E396-A398 PolarHBondContact O-N 3.35Å
397	K	94	Very high	94.5	Very high	117 Å²	117	54 Å²	54	51%	0.509	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	8.7	178.7	-61.4	178.9	-173	172.8	0	113.7	E393 I395 K399	E393-K397 HydrophobicContact CG-CD 3.98Å; E393-K397 VanDerWaalsContact O-CB 3.31Å; E393-K397 WeakPolarHBondContact O-CB 3.38Å; E393-K397 WeakPolarHBondContact O-CG 3.44Å; E393-K397 PolarHBondContact O-N 2.8Å; E393-K397 VanDerWaalsContact O-N 3.17Å; E393-K397 IonicContact OE1-NZ 2.64Å; E393-K397 PolarHBondContact OE1-NZ 3.2Å; I395-K397 VanDerWaalsContact C-N 3.31Å; I395-K397 PolarHBondContact O-N 2.99Å; K397-K399 HydrophobicContact CB-CD 4.2Å; K397-K399 HydrophobicContact CB-CG 3.95Å; K397-K399 PolarHBondContact O-N 3.04Å; K397-K399 VanDerWaalsContact O-N 3.17Å
398	A	91.9	Very high	94.4	Very high	73 Å²	73	54 Å²	54	60%	0.603	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	43	-178.5	0	0	0	0	0	113.5	I395 E396 V400	I395-A398 PolarHBondContact O-N 3.4Å; E396-A398 PolarHBondContact O-N 3.35Å; A398-V400 VanDerWaalsContact C-N 3.32Å
399	K	91.1	Very high	94.3	Very high	96 Å²	96	55.6 Å²	55.6	42%	0.417	29%	0.288	S	S	.	.			trans	-84.6	-6.2	-179.4	-67	178.3	179.2	173.6	0	113.3	E393 Q394 K397	E393-K399 IonicContact OE1-NZ 3.55Å; E393-K399 PolarHBondContact OE1-NZ 2.74Å; Q394-K399 HydrophobicContact CB-CB 4.34Å; Q394-K399 PolarHBondContact O-N 2.87Å; K397-K399 HydrophobicContact CB-CD 4.2Å; K397-K399 HydrophobicContact CB-CG 3.95Å; K397-K399 PolarHBondContact O-N 3.04Å; K397-K399 VanDerWaalsContact O-N 3.17Å
400	V	91.8	Very high	94.1	Very high	20 Å²	20	57.6 Å²	57.6	12%	0.121	29%	0.294	C	S	.	.			trans	-80.5	149.9	177.4	-64.1	0	0	0	0	111.3	L361 I395 A398 F404 I407	L361-V400 HydrophobicContact CD1-CG1 3.47Å; L361-V400 VanDerWaalsContact CD1-CG1 3.47Å; I395-V400 HydrophobicContact CD1-CG1 3.87Å; I395-V400 HydrophobicContact CD1-CG2 4.41Å; A398-V400 VanDerWaalsContact C-N 3.32Å; V400-F404 HydrophobicContact CG2-CD1 4.29Å; V400-F404 HydrophobicContact CG2-CE1 3.85Å; V400-I407 HydrophobicContact CB-CD1 4.13Å; V400-I407 HydrophobicContact CG1-CD1 4.08Å; V400-I407 HydrophobicContact CG2-CD1 4.16Å
401	T	91.3	Very high	94	Very high	70 Å²	70	56 Å²	56	43%	0.429	28%	0.283	S	S	.	.	S	Bend	trans	-98.1	-3.6	-178.5	50.6	0	0	0	0	113.9	A151 F153	A151-T401 WeakPolarHBondContact O-CB 3.28Å; A151-T401 WeakPolarHBondContact O-CG2 3.22Å; A151-T401 PolarHBondContact O-OG1 3.22Å; F153-T401 HydrophobicContact CD2-CG2 4.28Å; F153-T401 HydrophobicContact CE2-CG2 3.86Å; F153-T401 HydrophobicContact CZ-CG2 4.46Å
402	E	92.4	Very high	94	Very high	64 Å²	64	51.9 Å²	51.9	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	-118.5	161.7	-177.7	-57.7	-176.6	84	0	0	110.2	I407 R410	E402-I407 HydrophobicContact CB-CG1 4.47Å; E402-R410 IonicContact OE1-CZ 3.48Å; E402-R410 IonicContact OE1-NH2 3.93Å; E402-R410 PolarHBondContact OE1-NH2 3.47Å; E402-R410 IonicContact OE2-CZ 2.67Å; E402-R410 IonicContact OE2-NH1 3.81Å; E402-R410 PolarHBondContact OE2-NH1 2.63Å; E402-R410 VanDerWaalsContact OE2-NH1 3.14Å; E402-R410 IonicContact OE2-NH2 2.7Å; E402-R410 PolarHBondContact OE2-NH2 3Å
403	T	95.4	Very high	93.9	Very high	87 Å²	87	54.3 Å²	54.3	53%	0.534	28%	0.279	S	S	.	.			trans	-69.6	149.8	176.5	67	0	0	0	0	110.9	E405 T406 I407	T403-E405 VanDerWaalsContact C-N 3.25Å; T403-E405 PolarHBondContact O-N 3.19Å; T403-T406 WeakPolarHBondContact O-CB 3.49Å; T403-T406 PolarHBondContact O-N 3.24Å; T403-T406 WeakPolarHBondContact OG1-CB 3.05Å; T403-T406 PolarHBondContact OG1-N 3.31Å; T403-T406 PolarHBondContact OG1-OG1 2.66Å; T403-I407 PolarHBondContact O-N 3.11Å
404	F	96.1	Very high	94	Very high	68 Å²	68	51.6 Å²	51.6	30%	0.298	27%	0.269	S	S	.	.	H	α-helix	trans	-57.8	-39.2	176.9	-59.3	-38.3	0	0	0	112.9	I395 V400 T406 I407 F408 V435 H436	I395-F404 HydrophobicContact CD1-CD1 4.24Å; I395-F404 HydrophobicContact CD1-CE1 4.18Å; I395-F404 HydrophobicContact CG2-CD1 4.23Å; I395-F404 HydrophobicContact CG2-CE1 3.76Å; I395-F404 HydrophobicContact CG2-CZ 4.13Å; V400-F404 HydrophobicContact CG2-CD1 4.29Å; V400-F404 HydrophobicContact CG2-CE1 3.85Å; F404-T406 VanDerWaalsContact C-N 3.29Å; F404-T406 PolarHBondContact O-N 2.98Å; F404-I407 PolarHBondContact O-N 3.4Å; F404-F408 PolarHBondContact O-N 3.14Å; F404-V435 HydrophobicContact CB-CG1 3.66Å; F404-V435 HydrophobicContact CD1-CG1 3.95Å; F404-V435 HydrophobicContact CD2-CB 4.46Å; F404-V435 HydrophobicContact CD2-CG1 3.9Å; F404-V435 HydrophobicContact CD2-CG2 3.77Å; F404-V435 HydrophobicContact CE2-CG2 3.77Å; F404-V435 HydrophobicContact CG-CG1 3.57Å; F404-V435 HydrophobicContact CG-CG2 4.28Å; F404-V435 HydrophobicContact CZ-CG2 4.26Å; F404-H436 HydrophobicContact CB-CB 4.04Å
405	E	95.4	Very high	94.1	Very high	71 Å²	71	50.6 Å²	50.6	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-57.1	-41.5	174	-166.1	66.3	-162.4	0	0	112.1	T403 I407 F408 H409 H436	T403-E405 VanDerWaalsContact C-N 3.25Å; T403-E405 PolarHBondContact O-N 3.19Å; E405-I407 PolarHBondContact O-N 3.16Å; E405-F408 PolarHBondContact O-N 3.22Å; E405-H409 PolarHBondContact O-N 3.23Å; E405-H409 IonicContact OE1-CE1 2.74Å; E405-H409 PolarHBondContact OE1-CE1 2.88Å; E405-H409 IonicContact OE1-ND1 3.86Å; E405-H409 IonicContact OE1-NE2 3.85Å; E405-H409 PolarHBondContact OE1-NE2 3.42Å; E405-H436 IonicContact OE2-CD2 2.67Å; E405-H436 PolarHBondContact OE2-CD2 2.98Å; E405-H436 IonicContact OE2-CG 2.71Å
406	T	94.6	Very high	94.1	Very high	60 Å²	60	50.6 Å²	50.6	37%	0.368	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-39.4	179.7	-57.7	0	0	0	0	111.5	T403 F404 R410	T403-T406 WeakPolarHBondContact O-CB 3.49Å; T403-T406 PolarHBondContact O-N 3.24Å; T403-T406 WeakPolarHBondContact OG1-CB 3.05Å; T403-T406 PolarHBondContact OG1-N 3.31Å; T403-T406 PolarHBondContact OG1-OG1 2.66Å; F404-T406 VanDerWaalsContact C-N 3.29Å; F404-T406 PolarHBondContact O-N 2.98Å; T406-R410 WeakPolarHBondContact O-CB 3.48Å; T406-R410 PolarHBondContact O-N 2.89Å; T406-R410 VanDerWaalsContact O-N 3.16Å
407	I	95.5	Very high	93.9	Very high	4 Å²	4	49 Å²	49	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-42.6	176.3	-58.7	171.8	0	0	0	109.8	F363 V388 I395 V400 E402 T403 F404 E405 R410 C411	F363-I407 HydrophobicContact CE2-CG2 4.19Å; F363-I407 HydrophobicContact CZ-CG2 4Å; V388-I407 HydrophobicContact CG1-CG2 4.27Å; V388-I407 HydrophobicContact CG2-CB 4.22Å; V388-I407 HydrophobicContact CG2-CG2 3.8Å; I395-I407 HydrophobicContact CD1-CD1 4.23Å; V400-I407 HydrophobicContact CB-CD1 4.13Å; V400-I407 HydrophobicContact CG1-CD1 4.08Å; V400-I407 HydrophobicContact CG2-CD1 4.16Å; E402-I407 HydrophobicContact CB-CG1 4.47Å; T403-I407 PolarHBondContact O-N 3.11Å; F404-I407 PolarHBondContact O-N 3.4Å; E405-I407 PolarHBondContact O-N 3.16Å; I407-R410 PolarHBondContact O-N 3.08Å; I407-C411 PolarHBondContact O-N 2.68Å; I407-C411 VanDerWaalsContact O-N 3.08Å
408	F	96.6	Very high	93.9	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-52.5	177	169.6	-109.2	0	0	0	112.2	F387 V388 F404 E405 R410 C411 I412 H436 F446 L448	F387-F408 HydrophobicContact CB-CD2 3.87Å; F387-F408 HydrophobicContact CB-CE2 4.06Å; F387-F408 HydrophobicContact CD2-CE2 4.02Å; F387-F408 HydrophobicContact CG-CD2 4.46Å; F387-F408 HydrophobicContact CG-CE2 4.16Å; V388-F408 HydrophobicContact CG2-CB 3.89Å; F404-F408 PolarHBondContact O-N 3.14Å; E405-F408 PolarHBondContact O-N 3.22Å; F408-R410 VanDerWaalsContact C-N 3.27Å; F408-R410 PolarHBondContact O-N 2.87Å; F408-C411 WeakPolarHBondContact O-CA 3.35Å; F408-C411 VanDerWaalsContact O-CB 3.27Å; F408-C411 WeakPolarHBondContact O-CB 3.21Å; F408-C411 PolarHBondContact O-N 2.92Å; F408-I412 HydrophobicContact CD1-CG1 4.46Å; F408-I412 HydrophobicContact CD2-CD1 4.4Å; F408-I412 HydrophobicContact CD2-CG1 3.97Å; F408-I412 HydrophobicContact CE1-CG1 4.01Å; F408-I412 HydrophobicContact CE2-CD1 3.65Å; F408-I412 HydrophobicContact CE2-CG1 3.49Å; F408-I412 VanDerWaalsContact CE2-CG1 3.49Å; F408-I412 HydrophobicContact CG-CG1 4.45Å; F408-I412 HydrophobicContact CZ-CD1 3.93Å; F408-I412 HydrophobicContact CZ-CG1 3.51Å; F408-I412 PolarHBondContact O-N 2.99Å; F408-H436 AromaticContact CD1-CD2 3.51Å; F408-H436 AromaticContact CD1-CE1 3.76Å; F408-H436 AromaticContact CD1-NE2 3.2Å; F408-H436 WeakPolarHBondContact CD1-NE2 3.4Å; F408-H436 AromaticContact CD2-CE1 3.07Å; F408-H436 WeakPolarHBondContact CD2-CE1 3.43Å; F408-H436 AromaticContact CD2-ND1 3.78Å; F408-H436 AromaticContact CD2-NE2 3.38Å; F408-H436 WeakPolarHBondContact CD2-NE2 3.44Å; F408-H436 AromaticContact CE1-CD2 3.95Å; F408-H436 AromaticContact CE1-NE2 3.29Å; F408-H436 VanDerWaalsContact CE1-NE2 3.29Å; F408-H436 WeakPolarHBondContact CE1-NE2 3.41Å; F408-H436 AromaticContact CE2-CE1 3.39Å; F408-H436 WeakPolarHBondContact CE2-CE1 3.36Å; F408-H436 AromaticContact CE2-NE2 3.46Å; F408-H436 WeakPolarHBondContact CE2-NE2 3.47Å; F408-H436 AromaticContact CG-CD2 3.65Å; F408-H436 AromaticContact CG-CE1 3.25Å; F408-H436 WeakPolarHBondContact CG-CE1 3.34Å; F408-H436 AromaticContact CG-CG 3.92Å; F408-H436 AromaticContact CG-ND1 3.67Å; F408-H436 AromaticContact CG-NE2 3.23Å; F408-H436 WeakPolarHBondContact CG-NE2 3.47Å; F408-H436 AromaticContact CZ-CE1 3.86Å; F408-H436 AromaticContact CZ-NE2 3.41Å; F408-H436 WeakPolarHBondContact CZ-NE2 3.36Å; F408-F446 HydrophobicContact CE1-CD1 4.35Å; F408-F446 HydrophobicContact CE2-CD1 4.25Å; F408-F446 HydrophobicContact CE2-CE1 4.02Å; F408-F446 HydrophobicContact CE2-CE2 4.3Å; F408-F446 HydrophobicContact CE2-CG 4.48Å; F408-F446 HydrophobicContact CE2-CZ 4.02Å; F408-F446 HydrophobicContact CZ-CB 4.22Å; F408-F446 AromaticContact CZ-CD1 3.69Å; F408-F446 HydrophobicContact CZ-CD1 3.69Å; F408-F446 HydrophobicContact CZ-CD2 4.05Å; F408-F446 AromaticContact CZ-CE1 3.94Å; F408-F446 HydrophobicContact CZ-CE1 3.94Å; F408-F446 HydrophobicContact CZ-CE2 4.28Å; F408-F446 AromaticContact CZ-CG 3.73Å; F408-F446 HydrophobicContact CZ-CG 3.73Å; F408-F446 HydrophobicContact CZ-CZ 4.2Å; F408-L448 HydrophobicContact CE1-CD2 3.66Å; F408-L448 HydrophobicContact CZ-CD2 4.19Å
409	H	94.5	Very high	94	Very high	35 Å²	35	41.4 Å²	41.4	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-41.3	178.3	-74.4	-28.4	0	0	0	112	E405 C411 I412 D413	E405-H409 PolarHBondContact O-N 3.23Å; E405-H409 IonicContact OE1-CE1 2.74Å; E405-H409 PolarHBondContact OE1-CE1 2.88Å; E405-H409 IonicContact OE1-ND1 3.86Å; E405-H409 IonicContact OE1-NE2 3.85Å; E405-H409 PolarHBondContact OE1-NE2 3.42Å; H409-C411 VanDerWaalsContact C-N 3.32Å; H409-C411 PolarHBondContact O-N 2.7Å; H409-I412 PolarHBondContact O-N 3.38Å; H409-D413 VanDerWaalsContact O-CB 3.27Å; H409-D413 WeakPolarHBondContact O-CB 3.48Å; H409-D413 PolarHBondContact O-N 3Å
410	R	93.3	Very high	93.9	Very high	60 Å²	60	43.6 Å²	43.6	23%	0.226	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-39.3	175.2	-169.4	-174.3	-42.2	171	10	112.9	L148 E402 T406 I407 F408 S414	L148-R410 HydrophobicContact CD2-CG 4.07Å; E402-R410 IonicContact OE1-CZ 3.48Å; E402-R410 IonicContact OE1-NH2 3.93Å; E402-R410 PolarHBondContact OE1-NH2 3.47Å; E402-R410 IonicContact OE2-CZ 2.67Å; E402-R410 IonicContact OE2-NH1 3.81Å; E402-R410 PolarHBondContact OE2-NH1 2.63Å; E402-R410 VanDerWaalsContact OE2-NH1 3.14Å; E402-R410 IonicContact OE2-NH2 2.7Å; E402-R410 PolarHBondContact OE2-NH2 3Å; T406-R410 WeakPolarHBondContact O-CB 3.48Å; T406-R410 PolarHBondContact O-N 2.89Å; T406-R410 VanDerWaalsContact O-N 3.16Å; I407-R410 PolarHBondContact O-N 3.08Å; F408-R410 VanDerWaalsContact C-N 3.27Å; F408-R410 PolarHBondContact O-N 2.87Å; R410-S414 VanDerWaalsContact O-CB 3.3Å; R410-S414 WeakPolarHBondContact O-CB 3.44Å; R410-S414 PolarHBondContact O-N 2.94Å; R410-S414 PolarHBondContact O-OG 3.36Å
411	C	94.8	Very high	93.7	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-50.3	176	-175.9	0	0	0	0	110.5	L366 I407 F408 H409 S414 I415	L366-C411 HydrophobicContact CD2-CB 4.45Å; L366-C411 WeakPolarHBondContact CD2-SG 3.15Å; I407-C411 PolarHBondContact O-N 2.68Å; I407-C411 VanDerWaalsContact O-N 3.08Å; F408-C411 WeakPolarHBondContact O-CA 3.35Å; F408-C411 VanDerWaalsContact O-CB 3.27Å; F408-C411 WeakPolarHBondContact O-CB 3.21Å; F408-C411 PolarHBondContact O-N 2.92Å; H409-C411 VanDerWaalsContact C-N 3.32Å; H409-C411 PolarHBondContact O-N 2.7Å; C411-S414 WeakPolarHBondContact O-CB 3.43Å; C411-S414 PolarHBondContact O-N 2.88Å; C411-I415 WeakPolarHBondContact O-CG1 3.31Å; C411-I415 PolarHBondContact O-N 2.67Å; C411-I415 VanDerWaalsContact O-N 3.16Å
412	I	94.9	Very high	93.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-47.8	178.8	-59.9	-59.8	0	0	0	111.7	F387 F408 H409 S414 I415 V416 F428 L448	F387-I412 HydrophobicContact CD1-CD1 4.04Å; F387-I412 HydrophobicContact CD2-CD1 4.43Å; F387-I412 HydrophobicContact CE1-CD1 4.16Å; F387-I412 HydrophobicContact CG-CD1 4.19Å; F387-I412 HydrophobicContact CZ-CD1 4.44Å; F408-I412 HydrophobicContact CD1-CG1 4.46Å; F408-I412 HydrophobicContact CD2-CD1 4.4Å; F408-I412 HydrophobicContact CD2-CG1 3.97Å; F408-I412 HydrophobicContact CE1-CG1 4.01Å; F408-I412 HydrophobicContact CE2-CD1 3.65Å; F408-I412 HydrophobicContact CE2-CG1 3.49Å; F408-I412 VanDerWaalsContact CE2-CG1 3.49Å; F408-I412 HydrophobicContact CG-CG1 4.45Å; F408-I412 HydrophobicContact CZ-CD1 3.93Å; F408-I412 HydrophobicContact CZ-CG1 3.51Å; F408-I412 PolarHBondContact O-N 2.99Å; H409-I412 PolarHBondContact O-N 3.38Å; I412-S414 VanDerWaalsContact C-N 3.25Å; I412-S414 PolarHBondContact O-N 3.34Å; I412-I415 HydrophobicContact CD1-CD1 4.48Å; I412-I415 WeakPolarHBondContact O-CB 3.39Å; I412-I415 PolarHBondContact O-N 2.9Å; I412-I415 VanDerWaalsContact O-N 3.08Å; I412-V416 HydrophobicContact CG2-CG2 4.03Å; I412-V416 WeakPolarHBondContact O-CB 3.41Å; I412-V416 VanDerWaalsContact O-CG2 3.27Å; I412-V416 WeakPolarHBondContact O-CG2 3.05Å; I412-V416 PolarHBondContact O-N 3.04Å; I412-F428 HydrophobicContact CD1-CD1 3.67Å; I412-F428 HydrophobicContact CD1-CE1 3.5Å; I412-F428 VanDerWaalsContact CD1-CE1 3.5Å; I412-F428 HydrophobicContact CD1-CG 4.48Å; I412-F428 HydrophobicContact CD1-CZ 4.18Å; I412-F428 HydrophobicContact CG2-CZ 4.17Å; I412-L448 HydrophobicContact CG1-CD2 4.46Å; I412-L448 HydrophobicContact CG2-CD1 3.72Å; I412-L448 HydrophobicContact CG2-CD2 4.24Å
413	D	93.2	Very high	92.9	Very high	62 Å²	62	42.5 Å²	42.5	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-38.6	178	-70.1	-18.1	0	0	0	110.8	H409 I415 V416 D417	H409-D413 VanDerWaalsContact O-CB 3.27Å; H409-D413 WeakPolarHBondContact O-CB 3.48Å; H409-D413 PolarHBondContact O-N 3Å; D413-I415 PolarHBondContact O-N 3.47Å; D413-V416 PolarHBondContact O-N 3.43Å; D413-D417 VanDerWaalsContact O-CB 3.31Å; D413-D417 WeakPolarHBondContact O-CB 3.24Å; D413-D417 PolarHBondContact O-N 3.34Å
414	S	94.3	Very high	92.7	Very high	26 Å²	26	38.5 Å²	38.5	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-41.7	175.2	-61	0	0	0	0	112.5	I370 R410 C411 I412 G418	I370-S414 WeakPolarHBondContact CD1-O 3.45Å; R410-S414 VanDerWaalsContact O-CB 3.3Å; R410-S414 WeakPolarHBondContact O-CB 3.44Å; R410-S414 PolarHBondContact O-N 2.94Å; R410-S414 PolarHBondContact O-OG 3.36Å; C411-S414 WeakPolarHBondContact O-CB 3.43Å; C411-S414 PolarHBondContact O-N 2.88Å; I412-S414 VanDerWaalsContact C-N 3.25Å; I412-S414 PolarHBondContact O-N 3.34Å; S414-G418 WeakPolarHBondContact O-CA 3.48Å; S414-G418 PolarHBondContact O-N 3.43Å
415	I	95.7	Very high	92.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-47.8	176.5	-61.9	161.9	0	0	0	109.9	L366 I370 L383 F387 C411 I412 D413 T419 L426 F428	L366-I415 HydrophobicContact CD1-CD1 3.76Å; L366-I415 HydrophobicContact CD1-CG1 3.62Å; L366-I415 HydrophobicContact CD2-CG1 4.43Å; L366-I415 HydrophobicContact CG-CG1 4.3Å; I370-I415 HydrophobicContact CD1-CG1 4.48Å; L383-I415 HydrophobicContact CD1-CD1 4.26Å; L383-I415 HydrophobicContact CD1-CG2 3.72Å; F387-I415 HydrophobicContact CD1-CD1 4.25Å; F387-I415 HydrophobicContact CE1-CD1 3.94Å; C411-I415 WeakPolarHBondContact O-CG1 3.31Å; C411-I415 PolarHBondContact O-N 2.67Å; C411-I415 VanDerWaalsContact O-N 3.16Å; I412-I415 HydrophobicContact CD1-CD1 4.48Å; I412-I415 WeakPolarHBondContact O-CB 3.39Å; I412-I415 PolarHBondContact O-N 2.9Å; I412-I415 VanDerWaalsContact O-N 3.08Å; D413-I415 PolarHBondContact O-N 3.47Å; I415-T419 WeakPolarHBondContact O-CB 3.49Å; I415-T419 WeakPolarHBondContact O-CG2 3.48Å; I415-T419 PolarHBondContact O-N 2.99Å; I415-T419 VanDerWaalsContact O-N 3.14Å; I415-T419 PolarHBondContact O-OG1 2.98Å; I415-L426 HydrophobicContact CG2-CD1 3.94Å; I415-L426 HydrophobicContact CG2-CD2 4.47Å; I415-F428 HydrophobicContact CB-CZ 4.45Å; I415-F428 HydrophobicContact CD1-CE1 3.84Å; I415-F428 HydrophobicContact CD1-CZ 4.43Å; I415-F428 HydrophobicContact CG2-CE1 4.39Å; I415-F428 HydrophobicContact CG2-CZ 4.09Å
416	V	93.8	Very high	92.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-61.6	-178	168.3	0	0	0	0	108.5	I412 D413 G418 T419 R420 L426 F428 L451 R460 V461	I412-V416 HydrophobicContact CG2-CG2 4.03Å; I412-V416 WeakPolarHBondContact O-CB 3.41Å; I412-V416 VanDerWaalsContact O-CG2 3.27Å; I412-V416 WeakPolarHBondContact O-CG2 3.05Å; I412-V416 PolarHBondContact O-N 3.04Å; D413-V416 PolarHBondContact O-N 3.43Å; V416-G418 PolarHBondContact O-N 3.36Å; V416-T419 PolarHBondContact O-N 2.84Å; V416-T419 PolarHBondContact O-OG1 3.17Å; V416-R420 PolarHBondContact O-N 2.96Å; V416-L426 HydrophobicContact CG2-CD1 4.1Å; V416-F428 HydrophobicContact CG2-CE2 4.5Å; V416-F428 HydrophobicContact CG2-CZ 4.37Å; V416-L451 HydrophobicContact CG1-CD2 4.16Å; V416-L451 HydrophobicContact CG2-CD2 4.44Å; V416-R460 PolarHBondContact O-NH2 3.28Å; V416-V461 HydrophobicContact CG2-CG2 4.28Å
417	D	92.3	Very high	92.8	Very high	103 Å²	103	30.2 Å²	30.2	55%	0.551	17%	0.17	S	C	*	.	H	α-helix	trans	-64.1	-39.7	-177.4	-70.5	-24.1	0	0	0	112.8	D413 T419 R420	D413-D417 VanDerWaalsContact O-CB 3.31Å; D413-D417 WeakPolarHBondContact O-CB 3.24Å; D413-D417 PolarHBondContact O-N 3.34Å; D417-T419 PolarHBondContact O-N 3.03Å; D417-R420 VanDerWaalsContact O-CB 3.28Å; D417-R420 WeakPolarHBondContact O-CB 3.03Å; D417-R420 PolarHBondContact O-N 3.2Å
418	G	93.6	Very high	92.9	Very high	31 Å²	31	30 Å²	30	32%	0.32	17%	0.169	S	C	.	.	H	α-helix	trans	-63.2	-25.3	179.2	0	0	0	0	0	114.1	V374 S414 V416	V374-G418 WeakPolarHBondContact CG2-O 3.39Å; S414-G418 WeakPolarHBondContact O-CA 3.48Å; S414-G418 PolarHBondContact O-N 3.43Å; V416-G418 PolarHBondContact O-N 3.36Å
419	T	93.3	Very high	93	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-103	2.7	-179.1	60.2	0	0	0	0	113.7	I370 I373 I415 V416 D417 S421 V422 G423 R460	I370-T419 HydrophobicContact CG2-CG2 4.45Å; I373-T419 HydrophobicContact CB-CG2 4.04Å; I373-T419 HydrophobicContact CD1-CG2 4.14Å; I373-T419 HydrophobicContact CG2-CG2 3.56Å; I415-T419 WeakPolarHBondContact O-CB 3.49Å; I415-T419 WeakPolarHBondContact O-CG2 3.48Å; I415-T419 PolarHBondContact O-N 2.99Å; I415-T419 VanDerWaalsContact O-N 3.14Å; I415-T419 PolarHBondContact O-OG1 2.98Å; V416-T419 PolarHBondContact O-N 2.84Å; V416-T419 PolarHBondContact O-OG1 3.17Å; D417-T419 PolarHBondContact O-N 3.03Å; T419-S421 PolarHBondContact O-N 3.27Å; T419-V422 WeakPolarHBondContact O-CB 3.11Å; T419-V422 PolarHBondContact O-N 2.98Å; T419-G423 PolarHBondContact O-N 3.15Å; T419-R460 PolarHBondContact OG1-NH1 3.13Å; T419-R460 VanDerWaalsContact OG1-NH1 3.11Å
420	R	89.4	Confident	93.2	Very high	143 Å²	143	28.3 Å²	28.3	54%	0.54	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.6	-178	-172.4	175.2	-136.8	-139.3	4.9	113.9	V416 D417 V422 D454	V416-R420 PolarHBondContact O-N 2.96Å; D417-R420 VanDerWaalsContact O-CB 3.28Å; D417-R420 WeakPolarHBondContact O-CB 3.03Å; D417-R420 PolarHBondContact O-N 3.2Å; R420-V422 PolarHBondContact O-N 2.95Å; R420-D454 IonicContact CZ-OD2 3.51Å; R420-D454 IonicContact NH2-OD2 3.23Å; R420-D454 PolarHBondContact NH2-OD2 3.07Å
421	S	87.2	Confident	93.4	Very high	81 Å²	81	25.7 Å²	25.7	57%	0.566	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.2	178.5	63	0	0	0	0	113.9	R377 T419	R377-S421 PolarHBondContact NH1-O 3.13Å; R377-S421 PolarHBondContact NH2-O 2.71Å; T419-S421 PolarHBondContact O-N 3.27Å
422	V	86.3	Confident	93.4	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-45.4	178	-175.8	0	0	0	0	110.8	V374 R377 T419 R420 C424	V374-V422 HydrophobicContact CB-CG2 4.28Å; V374-V422 HydrophobicContact CG2-CG2 4.08Å; R377-V422 HydrophobicContact CB-CG1 3.74Å; R377-V422 HydrophobicContact CG-CG1 4Å; R377-V422 HydrophobicContact CG-CG2 4.35Å; R377-V422 PolarHBondContact NH2-O 3.27Å; R377-V422 VanDerWaalsContact NH2-O 3.09Å; T419-V422 WeakPolarHBondContact O-CB 3.11Å; T419-V422 PolarHBondContact O-N 2.98Å; R420-V422 PolarHBondContact O-N 2.95Å; V422-C424 VanDerWaalsContact C-N 3.31Å; V422-C424 HydrophobicContact CG1-CB 3.9Å
423	G	81.9	Confident	93.5	Very high	39 Å²	39	29.3 Å²	29.3	40%	0.402	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	20.8	-172.4	0	0	0	0	0	113.6	T419	T419-G423 PolarHBondContact O-N 3.15Å
424	C	89.7	Confident	93.8	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.02	15%	0.151	C	C	.	.			trans	-65.7	147.8	174.7	63.6	0	0	0	0	111.2	I373 P378 V422	I373-C424 VanDerWaalsContact CG2-SG 3.6Å; P378-C424 WeakPolarHBondContact O-CB 3.26Å; V422-C424 VanDerWaalsContact C-N 3.31Å; V422-C424 HydrophobicContact CG1-CB 3.9Å
425	H	94	Very high	93.9	Very high	26 Å²	26	27.3 Å²	27.3	12%	0.12	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	125.9	175.1	-155.8	90	0	0	0	109.9	D379 V380 C381 Q459 R460 T462	D379-H425 PolarHBondContact O-N 3.38Å; V380-H425 CarbonylContact C-O 3.59Å; V380-H425 VanDerWaalsContact CA-O 3.3Å; V380-H425 WeakPolarHBondContact CA-O 3.43Å; V380-H425 HydrophobicContact CG1-CB 4.43Å; V380-H425 HydrophobicContact CG2-CB 4.26Å; C381-H425 PolarHBondContact N-O 3.09Å; H425-Q459 PolarHBondContact CE1-O 2.97Å; H425-Q459 VanDerWaalsContact CE1-O 3.27Å; H425-R460 CarbonylContact C-O 3.1Å; H425-R460 WeakPolarHBondContact CA-O 3.2Å; H425-T462 PolarHBondContact NE2-OG1 3.38Å
426	L	96.2	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.2	-178.3	-58.6	-179.3	0	0	0	109.8	C381 I415 V416 F428 R460 V461 T462	C381-L426 HydrophobicContact CB-CD2 3.78Å; I415-L426 HydrophobicContact CG2-CD1 3.94Å; I415-L426 HydrophobicContact CG2-CD2 4.47Å; V416-L426 HydrophobicContact CG2-CD1 4.1Å; L426-F428 HydrophobicContact CB-CD2 4.47Å; L426-F428 HydrophobicContact CB-CE2 3.79Å; L426-F428 HydrophobicContact CB-CZ 4.26Å; L426-F428 HydrophobicContact CD1-CE2 4.18Å; L426-F428 HydrophobicContact CD1-CZ 4.09Å; L426-R460 PolarHBondContact N-O 2.76Å; L426-V461 HydrophobicContact CB-CG2 4.4Å; L426-V461 HydrophobicContact CD1-CG2 4.43Å; L426-V461 CarbonylContact O-C 3.6Å; L426-V461 WeakPolarHBondContact O-CA 3.49Å; L426-T462 PolarHBondContact O-N 3.45Å
427	V	98.1	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.9	173.6	-176	0	0	0	0	108.6	V196 V380 C381 L382 L383 T462 V464 L470	V196-V427 HydrophobicContact CG1-CG2 3.95Å; V380-V427 HydrophobicContact CG1-CG2 3.93Å; C381-V427 PolarHBondContact O-N 3.19Å; L382-V427 HydrophobicContact CD2-CB 3.66Å; L382-V427 HydrophobicContact CD2-CG1 4.11Å; L382-V427 HydrophobicContact CD2-CG2 3.77Å; L383-V427 PolarHBondContact N-O 2.7Å; V427-T462 VanDerWaalsContact CA-O 3.31Å; V427-T462 WeakPolarHBondContact CA-O 3.24Å; V427-V464 HydrophobicContact CG1-CG1 3.84Å; V427-V464 HydrophobicContact CG1-CG2 3.85Å; V427-L470 HydrophobicContact CG1-CD1 3.68Å
428	F	98.4	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.7	178.4	-64.7	-84.9	0	0	0	110.6	L383 F387 I412 I415 V416 L426 F446 V461 T462 L463 V464	L383-F428 HydrophobicContact CB-CD1 4.17Å; L383-F428 HydrophobicContact CB-CE1 4.37Å; L383-F428 HydrophobicContact CD1-CD1 4.36Å; L383-F428 HydrophobicContact CD1-CE1 3.77Å; L383-F428 HydrophobicContact CD1-CZ 4.22Å; L383-F428 WeakPolarHBondContact O-CA 3.35Å; F387-F428 HydrophobicContact CE1-CD1 4.02Å; F387-F428 HydrophobicContact CE1-CE1 4.15Å; F387-F428 HydrophobicContact CE2-CD1 4.19Å; F387-F428 AromaticContact CZ-CD1 3.55Å; F387-F428 HydrophobicContact CZ-CD1 3.55Å; F387-F428 HydrophobicContact CZ-CE1 4.14Å; I412-F428 HydrophobicContact CD1-CD1 3.67Å; I412-F428 HydrophobicContact CD1-CE1 3.5Å; I412-F428 VanDerWaalsContact CD1-CE1 3.5Å; I412-F428 HydrophobicContact CD1-CG 4.48Å; I412-F428 HydrophobicContact CD1-CZ 4.18Å; I412-F428 HydrophobicContact CG2-CZ 4.17Å; I415-F428 HydrophobicContact CB-CZ 4.45Å; I415-F428 HydrophobicContact CD1-CE1 3.84Å; I415-F428 HydrophobicContact CD1-CZ 4.43Å; I415-F428 HydrophobicContact CG2-CE1 4.39Å; I415-F428 HydrophobicContact CG2-CZ 4.09Å; V416-F428 HydrophobicContact CG2-CE2 4.5Å; V416-F428 HydrophobicContact CG2-CZ 4.37Å; L426-F428 HydrophobicContact CB-CD2 4.47Å; L426-F428 HydrophobicContact CB-CE2 3.79Å; L426-F428 HydrophobicContact CB-CZ 4.26Å; L426-F428 HydrophobicContact CD1-CE2 4.18Å; L426-F428 HydrophobicContact CD1-CZ 4.09Å; F428-F446 HydrophobicContact CB-CD2 4.12Å; F428-F446 HydrophobicContact CB-CE2 4.4Å; F428-V461 HydrophobicContact CD2-CG1 3.79Å; F428-V461 HydrophobicContact CE2-CG1 3.76Å; F428-T462 PolarHBondContact N-O 3.07Å; F428-L463 HydrophobicContact CB-CD2 3.81Å; F428-L463 HydrophobicContact CD2-CD2 3.74Å; F428-L463 HydrophobicContact CG-CD2 4.13Å; F428-V464 WeakPolarHBondContact O-CG2 3.29Å; F428-V464 PolarHBondContact O-N 3.23Å
429	V	98.6	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.1	177	-169.2	0	0	0	0	108.4	L383 F384 G385 V464 D466 L479	L383-V429 PolarHBondContact O-N 3.29Å; F384-V429 CarbonylContact C-O 3.59Å; F384-V429 WeakPolarHBondContact CA-O 3.4Å; F384-V429 HydrophobicContact CD1-CB 3.71Å; F384-V429 HydrophobicContact CD1-CG1 3.76Å; F384-V429 HydrophobicContact CD1-CG2 4.01Å; F384-V429 HydrophobicContact CD2-CG2 4.49Å; F384-V429 HydrophobicContact CE1-CB 4.07Å; F384-V429 HydrophobicContact CE1-CG1 3.92Å; F384-V429 HydrophobicContact CE1-CG2 3.95Å; F384-V429 HydrophobicContact CE2-CG2 4.41Å; F384-V429 HydrophobicContact CG-CB 4.1Å; F384-V429 HydrophobicContact CG-CG2 4.3Å; F384-V429 HydrophobicContact CZ-CG2 4.17Å; G385-V429 PolarHBondContact N-O 3.19Å; V429-V464 HydrophobicContact CB-CG2 4.28Å; V429-V464 HydrophobicContact CG1-CG2 4.48Å; V429-V464 HydrophobicContact CG2-CG2 3.69Å; V429-D466 HydrophobicContact CG1-CB 4.13Å; V429-L479 HydrophobicContact CG2-CD1 3.96Å
430	P	98.3	Very high	94.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.			trans	-68.8	162.3	178.6	30	-35.2	0	0	0	111.9	Q443 F446 V464 D466 S481	P430-Q443 HydrophobicContact CB-CB 4.41Å; P430-Q443 HydrophobicContact CG-CB 3.99Å; P430-F446 VanDerWaalsContact CA-CZ 3.41Å; P430-F446 HydrophobicContact CB-CD1 4.38Å; P430-F446 HydrophobicContact CB-CD2 4.46Å; P430-F446 HydrophobicContact CB-CE1 3.83Å; P430-F446 HydrophobicContact CB-CE2 3.93Å; P430-F446 HydrophobicContact CB-CZ 3.61Å; P430-V464 WeakPolarHBondContact CD-O 3.38Å; P430-D466 HydrophobicContact CG-CB 3.89Å; P430-D466 WeakPolarHBondContact O-CB 3.26Å; P430-S481 WeakPolarHBondContact O-CB 3.48Å; P430-S481 PolarHBondContact O-OG 3.46Å
431	A	97.6	Very high	94.6	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.041	14%	0.135	C	C	.	.			trans	-132.5	152.9	167.9	0	0	0	0	0	111.9	R433 D434 Q443 S481	A431-R433 PolarHBondContact O-N 3.41Å; A431-D434 PolarHBondContact N-OD2 2.97Å; A431-D434 WeakPolarHBondContact O-CB 3.31Å; A431-D434 PolarHBondContact O-N 3.11Å; A431-Q443 VanDerWaalsContact C-CD 3.48Å; A431-Q443 PolarHBondContact O-NE2 3.11Å; A431-Q443 PolarHBondContact O-OE1 3.31Å; A431-S481 WeakPolarHBondContact CA-OG 3.11Å; A431-S481 WeakPolarHBondContact CB-OG 3.49Å
432	Q	95.9	Very high	95.1	Very high	34 Å²	34	20.5 Å²	20.5	16%	0.159	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.4	179.5	-66.3	-175.9	-62.7	0	0	112.9	F439 Q443 N526	Q432-F439 PolarHBondContact NE2-O 2.88Å; Q432-Q443 HydrophobicContact CG-CG 4.45Å; Q432-N526 PolarHBondContact NE2-O 2.67Å; Q432-N526 VanDerWaalsContact NE2-O 3.08Å
433	R	96.8	Very high	95.6	Very high	47 Å²	47	20 Å²	20	18%	0.177	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3	175.7	-72.3	170.4	64.2	178.4	4.4	113.5	P386 D389 S390 A431 V435 E550	P386-R433 HydrophobicContact CB-CB 3.74Å; P386-R433 HydrophobicContact CG-CB 3.88Å; D389-R433 CarbonylContact C-O 3.5Å; D389-R433 WeakPolarHBondContact CA-O 3.41Å; D389-R433 VanDerWaalsContact CG-NH2 3.27Å; D389-R433 IonicContact OD1-CZ 2.71Å; D389-R433 IonicContact OD1-NE 2.97Å; D389-R433 PolarHBondContact OD1-NE 2.94Å; D389-R433 IonicContact OD1-NH2 3.63Å; D389-R433 PolarHBondContact OD1-NH2 3.47Å; D389-R433 VanDerWaalsContact OD1-NH2 3.17Å; D389-R433 IonicContact OD2-CZ 2.73Å; D389-R433 IonicContact OD2-NE 2.77Å; D389-R433 IonicContact OD2-NH2 3.14Å; D389-R433 PolarHBondContact OD2-NH2 3.11Å; S390-R433 PolarHBondContact N-O 3.27Å; S390-R433 PolarHBondContact OG-O 3.38Å; A431-R433 PolarHBondContact O-N 3.41Å; R433-V435 PolarHBondContact O-N 3.25Å; R433-V435 VanDerWaalsContact O-N 3.08Å; R433-E550 IonicContact NH1-OE1 3.75Å
434	D	98.1	Very high	96.3	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-70.5	100.7	170.7	-80.5	-63.3	0	0	0	109.9	P386 F387 V388 A431 H436 H437 F446	P386-D434 WeakPolarHBondContact CA-OD1 3.34Å; F387-D434 PolarHBondContact N-OD1 3.32Å; V388-D434 PolarHBondContact N-OD1 2.99Å; A431-D434 PolarHBondContact N-OD2 2.97Å; A431-D434 WeakPolarHBondContact O-CB 3.31Å; A431-D434 PolarHBondContact O-N 3.11Å; D434-H436 PolarHBondContact O-N 3.43Å; D434-H436 IonicContact OD1-CE1 3.91Å; D434-H437 HydrophobicContact CB-CB 4.01Å; D434-H437 PolarHBondContact O-N 2.71Å; D434-F446 HydrophobicContact CB-CE1 4.26Å; D434-F446 HydrophobicContact CB-CZ 4.45Å
435	V	97.4	Very high	96.6	Very high	44 Å²	44	18.9 Å²	18.9	27%	0.267	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21	-168.1	72.5	0	0	0	0	114.6	V388 I395 F404 R433	V388-V435 HydrophobicContact CB-CG1 4.07Å; V388-V435 HydrophobicContact CG1-CG1 3.61Å; V388-V435 PolarHBondContact O-N 3.42Å; I395-V435 HydrophobicContact CG2-CB 4.07Å; I395-V435 HydrophobicContact CG2-CG1 3.88Å; I395-V435 HydrophobicContact CG2-CG2 3.85Å; F404-V435 HydrophobicContact CB-CG1 3.66Å; F404-V435 HydrophobicContact CD1-CG1 3.95Å; F404-V435 HydrophobicContact CD2-CB 4.46Å; F404-V435 HydrophobicContact CD2-CG1 3.9Å; F404-V435 HydrophobicContact CD2-CG2 3.77Å; F404-V435 HydrophobicContact CE2-CG2 3.77Å; F404-V435 HydrophobicContact CG-CG1 3.57Å; F404-V435 HydrophobicContact CG-CG2 4.28Å; F404-V435 HydrophobicContact CZ-CG2 4.26Å; R433-V435 PolarHBondContact O-N 3.25Å; R433-V435 VanDerWaalsContact O-N 3.08Å
436	H	95.8	Very high	96.7	Very high	36 Å²	36	18 Å²	18	17%	0.167	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-15.5	-179.1	70.1	-73.3	0	0	0	112.9	F404 E405 F408 D434 F446	F404-H436 HydrophobicContact CB-CB 4.04Å; E405-H436 IonicContact OE2-CD2 2.67Å; E405-H436 PolarHBondContact OE2-CD2 2.98Å; E405-H436 IonicContact OE2-CG 2.71Å; F408-H436 AromaticContact CD1-CD2 3.51Å; F408-H436 AromaticContact CD1-CE1 3.76Å; F408-H436 AromaticContact CD1-NE2 3.2Å; F408-H436 WeakPolarHBondContact CD1-NE2 3.4Å; F408-H436 AromaticContact CD2-CE1 3.07Å; F408-H436 WeakPolarHBondContact CD2-CE1 3.43Å; F408-H436 AromaticContact CD2-ND1 3.78Å; F408-H436 AromaticContact CD2-NE2 3.38Å; F408-H436 WeakPolarHBondContact CD2-NE2 3.44Å; F408-H436 AromaticContact CE1-CD2 3.95Å; F408-H436 AromaticContact CE1-NE2 3.29Å; F408-H436 VanDerWaalsContact CE1-NE2 3.29Å; F408-H436 WeakPolarHBondContact CE1-NE2 3.41Å; F408-H436 AromaticContact CE2-CE1 3.39Å; F408-H436 WeakPolarHBondContact CE2-CE1 3.36Å; F408-H436 AromaticContact CE2-NE2 3.46Å; F408-H436 WeakPolarHBondContact CE2-NE2 3.47Å; F408-H436 AromaticContact CG-CD2 3.65Å; F408-H436 AromaticContact CG-CE1 3.25Å; F408-H436 WeakPolarHBondContact CG-CE1 3.34Å; F408-H436 AromaticContact CG-CG 3.92Å; F408-H436 AromaticContact CG-ND1 3.67Å; F408-H436 AromaticContact CG-NE2 3.23Å; F408-H436 WeakPolarHBondContact CG-NE2 3.47Å; F408-H436 AromaticContact CZ-CE1 3.86Å; F408-H436 AromaticContact CZ-NE2 3.41Å; F408-H436 WeakPolarHBondContact CZ-NE2 3.36Å; D434-H436 PolarHBondContact O-N 3.43Å; D434-H436 IonicContact OD1-CE1 3.91Å; H436-F446 AromaticContact CE1-CE1 3.7Å; H436-F446 AromaticContact NE2-CD1 3.69Å; H436-F446 AromaticContact NE2-CE1 3.54Å
437	H	96.8	Very high	96.5	Very high	32 Å²	32	23.1 Å²	23.1	15%	0.148	12%	0.117	C	C	.	.	S	Bend	trans	-103.1	169.7	-170.5	-161	53.1	0	0	0	112.3	D434 F439 P444 P445 F446	D434-H437 HydrophobicContact CB-CB 4.01Å; D434-H437 PolarHBondContact O-N 2.71Å; H437-F439 PolarHBondContact O-N 3.18Å; H437-P444 PolarHBondContact NE2-O 3.16Å; H437-P445 PolarHBondContact CE1-O 3.3Å; H437-F446 HydrophobicContact CB-CD1 4.31Å; H437-F446 HydrophobicContact CB-CE1 3.94Å; H437-F446 AromaticContact CD2-CE1 3.97Å; H437-F446 AromaticContact CE1-CD1 3.98Å; H437-F446 AromaticContact CG-CD1 3.79Å; H437-F446 AromaticContact CG-CE1 3.78Å; H437-F446 AromaticContact ND1-CD1 3.75Å
438	E	93.8	Very high	95.9	Very high	44 Å²	44	24.1 Å²	24.1	21%	0.206	12%	0.123	C	C	.	.			trans	-59.1	128.1	174.5	-63.9	-176	-166.6	0	0	110.4	G209 Y212 Q443 P444	G209-E438 VanDerWaalsContact CA-OE1 3.29Å; G209-E438 WeakPolarHBondContact CA-OE1 3.34Å; Y212-E438 HydrophobicContact CE1-CB 4.38Å; Y212-E438 HydrophobicContact CE1-CG 4.04Å; E438-Q443 PolarHBondContact O-NE2 3.36Å; E438-P444 HydrophobicContact CB-CG 4.49Å; E438-P444 HydrophobicContact CG-CG 4.36Å; E438-P444 WeakPolarHBondContact OE2-CD 3.22Å; E438-P444 VanDerWaalsContact OE2-CG 3.31Å; E438-P444 WeakPolarHBondContact OE2-CG 3.25Å
439	F	92.1	Very high	94.9	Very high	98 Å²	98	27.6 Å²	27.6	43%	0.43	15%	0.145	S	C	.	.			trans	-95.5	15.8	-172.5	70.6	-83	0	0	0	114.2	Q432 H437 N526	Q432-F439 PolarHBondContact NE2-O 2.88Å; H437-F439 PolarHBondContact O-N 3.18Å; F439-N526 HydrophobicContact CD2-CB 4.18Å; F439-N526 WeakPolarHBondContact CD2-ND2 3.32Å; F439-N526 HydrophobicContact CE2-CB 4.22Å
440	I	95.9	Very high	93.7	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.051	17%	0.165	C	C	.	.	S	Bend	trans	-110.1	131.8	-172.1	-61.9	73.7	0	0	0	108.6	Y212 P442 Q443 D528	Y212-I440 HydrophobicContact CD1-CD1 4.16Å; Y212-I440 HydrophobicContact CD1-CG1 4.42Å; Y212-I440 HydrophobicContact CD2-CD1 3.3Å; Y212-I440 HydrophobicContact CD2-CG1 3.61Å; Y212-I440 HydrophobicContact CE1-CD1 4.1Å; Y212-I440 HydrophobicContact CE2-CD1 3.25Å; Y212-I440 HydrophobicContact CE2-CG1 4.11Å; Y212-I440 HydrophobicContact CG-CB 4.38Å; Y212-I440 HydrophobicContact CG-CD1 3.81Å; Y212-I440 HydrophobicContact CG-CG1 3.82Å; I440-P442 CarbonylContact O-C 3.58Å; I440-P442 VanDerWaalsContact O-C 3.31Å; I440-Q443 WeakPolarHBondContact O-CG 3.49Å; I440-Q443 PolarHBondContact O-N 3.04Å; I440-D528 HydrophobicContact CG2-CB 3.81Å
441	Y	97.6	Very high	92.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-93.6	136.2	178.4	-171.7	-100.7	0	0	0	110.7	P467 F515 N526 M527 D528 F532	Y441-P467 HydrophobicContact CE2-CG 4.32Å; Y441-P467 VanDerWaalsContact CZ-CD 3.46Å; Y441-P467 WeakPolarHBondContact OH-CB 3.34Å; Y441-P467 WeakPolarHBondContact OH-CD 3.45Å; Y441-P467 WeakPolarHBondContact OH-CG 3.37Å; Y441-F515 WeakPolarHBondContact OH-CB 3.38Å; Y441-N526 WeakPolarHBondContact CB-O 3.42Å; Y441-N526 PolarHBondContact N-O 3Å; Y441-M527 HydrophobicContact CD1-CE 3.85Å; Y441-M527 HydrophobicContact CD1-CG 4.39Å; Y441-M527 HydrophobicContact CD1-SD 4.46Å; Y441-M527 HydrophobicContact CE1-CE 4.34Å; Y441-M527 WeakPolarHBondContact O-CA 3.22Å; Y441-D528 PolarHBondContact O-N 2.68Å; Y441-F532 AromaticContact CD1-CD2 3.82Å; Y441-F532 HydrophobicContact CD1-CD2 3.82Å; Y441-F532 HydrophobicContact CD1-CE2 4.16Å; Y441-F532 AromaticContact CE1-CD2 3.5Å; Y441-F532 HydrophobicContact CE1-CD2 3.5Å; Y441-F532 VanDerWaalsContact CE1-CD2 3.5Å; Y441-F532 AromaticContact CE1-CE2 3.41Å; Y441-F532 HydrophobicContact CE1-CE2 3.41Å; Y441-F532 VanDerWaalsContact CE1-CE2 3.41Å
442	P	97.3	Very high	90.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.2	C	C	.	.	S	Bend	cis	-71.3	139.4	-2.7	30.2	-35.7	0	0	0	113.2	L206 Y210 I440 D466 K531 H535	L206-P442 HydrophobicContact CD2-CB 4.32Å; L206-P442 HydrophobicContact CD2-CG 4.45Å; Y210-P442 VanDerWaalsContact CE1-O 3.31Å; Y210-P442 WeakPolarHBondContact CE1-O 3.43Å; Y210-P442 PolarHBondContact OH-O 3.15Å; I440-P442 CarbonylContact O-C 3.58Å; I440-P442 VanDerWaalsContact O-C 3.31Å; P442-D466 CarbonylContact C-O 3.53Å; P442-D466 VanDerWaalsContact CA-O 3.24Å; P442-D466 WeakPolarHBondContact CA-O 3.37Å; P442-D466 WeakPolarHBondContact CB-O 3.32Å; P442-K531 HydrophobicContact CG-CB 3.95Å; P442-H535 HydrophobicContact CB-CB 4.34Å; P442-H535 HydrophobicContact CG-CB 4.04Å
443	Q	97.3	Very high	89.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-86.9	138.2	-178.5	-66.9	177	-80.3	0	0	111.8	P430 A431 Q432 E438 I440 P465 D466	P430-Q443 HydrophobicContact CB-CB 4.41Å; P430-Q443 HydrophobicContact CG-CB 3.99Å; A431-Q443 VanDerWaalsContact C-CD 3.48Å; A431-Q443 PolarHBondContact O-NE2 3.11Å; A431-Q443 PolarHBondContact O-OE1 3.31Å; Q432-Q443 HydrophobicContact CG-CG 4.45Å; E438-Q443 PolarHBondContact O-NE2 3.36Å; I440-Q443 WeakPolarHBondContact O-CG 3.49Å; I440-Q443 PolarHBondContact O-N 3.04Å; Q443-P465 VanDerWaalsContact O-CA 3.24Å; Q443-P465 WeakPolarHBondContact O-CA 3.44Å; Q443-P465 WeakPolarHBondContact O-CB 3.45Å; Q443-D466 HydrophobicContact CB-CB 4.35Å; Q443-D466 PolarHBondContact N-O 3.3Å; Q443-D466 PolarHBondContact O-N 3.16Å
444	P	96.9	Very high	88.5	Confident	2 Å²	2	43 Å²	43	1%	0.013	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-69.5	164.4	171.4	34.2	-39.3	0	0	0	111.4	L206 H437 E438	L206-P444 HydrophobicContact CD1-CB 4.47Å; L206-P444 HydrophobicContact CD2-CB 4.34Å; L206-P444 HydrophobicContact CG-CB 4.24Å; H437-P444 PolarHBondContact NE2-O 3.16Å; E438-P444 HydrophobicContact CB-CG 4.49Å; E438-P444 HydrophobicContact CG-CG 4.36Å; E438-P444 WeakPolarHBondContact OE2-CD 3.22Å; E438-P444 VanDerWaalsContact OE2-CG 3.31Å; E438-P444 WeakPolarHBondContact OE2-CG 3.25Å
445	P	96.8	Very high	87.1	Confident	16 Å²	16	50.5 Å²	50.5	10%	0.104	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-57.4	154.9	172.5	-20.3	31.1	0	0	0	112.5	L206 H437 L463 V464 P465	L206-P445 VanDerWaalsContact O-CD 3.26Å; L206-P445 WeakPolarHBondContact O-CD 3.36Å; L206-P445 WeakPolarHBondContact O-CG 3.45Å; H437-P445 PolarHBondContact CE1-O 3.3Å; P445-L463 HydrophobicContact CB-CB 3.96Å; P445-V464 WeakPolarHBondContact CA-O 3.46Å; P445-P465 HydrophobicContact CG-CB 4.41Å
446	F	95.8	Very high	85.9	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.035	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-59.2	156.5	169	-66.6	-59.4	0	0	0	112.1	F387 F408 F428 P430 D434 H436 H437 L463	F387-F446 AromaticContact CD2-CE2 3.94Å; F387-F446 HydrophobicContact CD2-CE2 3.94Å; F387-F446 AromaticContact CD2-CZ 3.88Å; F387-F446 HydrophobicContact CD2-CZ 3.88Å; F387-F446 AromaticContact CE2-CE2 3.73Å; F387-F446 HydrophobicContact CE2-CE2 3.73Å; F387-F446 HydrophobicContact CE2-CZ 4.1Å; F408-F446 HydrophobicContact CE1-CD1 4.35Å; F408-F446 HydrophobicContact CE2-CD1 4.25Å; F408-F446 HydrophobicContact CE2-CE1 4.02Å; F408-F446 HydrophobicContact CE2-CE2 4.3Å; F408-F446 HydrophobicContact CE2-CG 4.48Å; F408-F446 HydrophobicContact CE2-CZ 4.02Å; F408-F446 HydrophobicContact CZ-CB 4.22Å; F408-F446 AromaticContact CZ-CD1 3.69Å; F408-F446 HydrophobicContact CZ-CD1 3.69Å; F408-F446 HydrophobicContact CZ-CD2 4.05Å; F408-F446 AromaticContact CZ-CE1 3.94Å; F408-F446 HydrophobicContact CZ-CE1 3.94Å; F408-F446 HydrophobicContact CZ-CE2 4.28Å; F408-F446 AromaticContact CZ-CG 3.73Å; F408-F446 HydrophobicContact CZ-CG 3.73Å; F408-F446 HydrophobicContact CZ-CZ 4.2Å; F428-F446 HydrophobicContact CB-CD2 4.12Å; F428-F446 HydrophobicContact CB-CE2 4.4Å; P430-F446 VanDerWaalsContact CA-CZ 3.41Å; P430-F446 HydrophobicContact CB-CD1 4.38Å; P430-F446 HydrophobicContact CB-CD2 4.46Å; P430-F446 HydrophobicContact CB-CE1 3.83Å; P430-F446 HydrophobicContact CB-CE2 3.93Å; P430-F446 HydrophobicContact CB-CZ 3.61Å; D434-F446 HydrophobicContact CB-CE1 4.26Å; D434-F446 HydrophobicContact CB-CZ 4.45Å; H436-F446 AromaticContact CE1-CE1 3.7Å; H436-F446 AromaticContact NE2-CD1 3.69Å; H436-F446 AromaticContact NE2-CE1 3.54Å; H437-F446 HydrophobicContact CB-CD1 4.31Å; H437-F446 HydrophobicContact CB-CE1 3.94Å; H437-F446 AromaticContact CD2-CE1 3.97Å; H437-F446 AromaticContact CE1-CD1 3.98Å; H437-F446 AromaticContact CG-CD1 3.79Å; H437-F446 AromaticContact CG-CE1 3.78Å; H437-F446 AromaticContact ND1-CD1 3.75Å; F446-L463 HydrophobicContact CB-CD1 4.39Å; F446-L463 WeakPolarHBondContact O-CD1 3.41Å
447	T	90.4	Very high	84.9	Confident	106 Å²	106	50.5 Å²	50.5	65%	0.65	27%	0.274	S	S	*	.			trans	-110	118.7	171.4	-59.8	0	0	0	0	110	P449	T447-P449 WeakPolarHBondContact O-CD 3.42Å
448	L	87.1	Confident	84	Confident	21 Å²	21	51 Å²	51	11%	0.11	28%	0.284	C	S	.	.			trans	-122.5	86.6	-178.6	-66.3	178	0	0	0	110.8	F408 I412 N450 L451 L463	F408-L448 HydrophobicContact CE1-CD2 3.66Å; F408-L448 HydrophobicContact CZ-CD2 4.19Å; I412-L448 HydrophobicContact CG1-CD2 4.46Å; I412-L448 HydrophobicContact CG2-CD1 3.72Å; I412-L448 HydrophobicContact CG2-CD2 4.24Å; L448-N450 VanDerWaalsContact C-N 3.27Å; L448-N450 PolarHBondContact O-N 2.59Å; L448-L451 HydrophobicContact CB-CB 4.44Å; L448-L451 HydrophobicContact CB-CD1 3.64Å; L448-L451 HydrophobicContact CB-CG 3.99Å; L448-L451 HydrophobicContact CD1-CD1 3.36Å; L448-L451 HydrophobicContact CD1-CG 4.24Å; L448-L451 HydrophobicContact CG-CD1 4.16Å; L448-L451 PolarHBondContact O-N 3.22Å; L448-L463 HydrophobicContact CB-CD1 4.1Å; L448-L463 HydrophobicContact CD1-CD1 3.83Å; L448-L463 HydrophobicContact CD1-CD2 3.72Å; L448-L463 HydrophobicContact CD1-CG 4.39Å; L448-L463 HydrophobicContact CG-CD1 3.88Å
449	P	77.6	Confident	83.5	Confident	73 Å²	73	56.3 Å²	56.3	47%	0.474	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-64.4	-30.2	-172.3	23.5	-32.3	0	0	0	113.3	T447 S452	T447-P449 WeakPolarHBondContact O-CD 3.42Å; P449-S452 PolarHBondContact O-OG 2.97Å
450	N	72.7	Confident	83.3	Confident	79 Å²	79	52.6 Å²	52.6	42%	0.422	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-76.6	-21.5	-176.2	-71.5	-38.8	0	0	0	114.5	L448 S452 K453	L448-N450 VanDerWaalsContact C-N 3.27Å; L448-N450 PolarHBondContact O-N 2.59Å; N450-S452 PolarHBondContact O-N 3.49Å; N450-K453 PolarHBondContact O-N 2.67Å; N450-K453 PolarHBondContact OD1-NZ 3.2Å
451	L	72.3	Confident	83.2	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.12	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64	-27.3	178.7	-78.5	177.7	0	0	0	112.8	V416 L448 K453 D454 V461	V416-L451 HydrophobicContact CG1-CD2 4.16Å; V416-L451 HydrophobicContact CG2-CD2 4.44Å; L448-L451 HydrophobicContact CB-CB 4.44Å; L448-L451 HydrophobicContact CB-CD1 3.64Å; L448-L451 HydrophobicContact CB-CG 3.99Å; L448-L451 HydrophobicContact CD1-CD1 3.36Å; L448-L451 HydrophobicContact CD1-CG 4.24Å; L448-L451 HydrophobicContact CG-CD1 4.16Å; L448-L451 PolarHBondContact O-N 3.22Å; L451-K453 PolarHBondContact O-N 2.79Å; L451-K453 VanDerWaalsContact O-N 3.11Å; L451-D454 PolarHBondContact O-N 2.7Å; L451-V461 HydrophobicContact CD1-CB 4.13Å; L451-V461 HydrophobicContact CD1-CG1 3.71Å; L451-V461 HydrophobicContact CD1-CG2 4.42Å; L451-V461 HydrophobicContact CD2-CG2 4.32Å
452	S	62.1	Low	83	Confident	92 Å²	92	54.5 Å²	54.5	64%	0.643	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-63.3	-16.4	-179.5	64.2	0	0	0	0	114.5	P449 N450	P449-S452 PolarHBondContact O-OG 2.97Å; N450-S452 PolarHBondContact O-N 3.49Å
453	K	67.9	Low	82.9	Confident	165 Å²	165	56.6 Å²	56.6	72%	0.717	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-81.1	-19.7	-175.4	-65.3	172.3	-179.1	162	0	113.5	N450 L451	N450-K453 PolarHBondContact O-N 2.67Å; N450-K453 PolarHBondContact OD1-NZ 3.2Å; L451-K453 PolarHBondContact O-N 2.79Å; L451-K453 VanDerWaalsContact O-N 3.11Å
454	D	76.8	Confident	82.9	Confident	52 Å²	52	56.6 Å²	56.6	28%	0.278	32%	0.315	S	S	.	.			trans	-124.8	102.1	178.1	-176.5	-18.9	0	0	0	109.4	R420 L451 A456 Q457 A458	R420-D454 IonicContact CZ-OD2 3.51Å; R420-D454 IonicContact NH2-OD2 3.23Å; R420-D454 PolarHBondContact NH2-OD2 3.07Å; L451-D454 PolarHBondContact O-N 2.7Å; D454-A456 PolarHBondContact O-N 2.72Å; D454-A456 PolarHBondContact OD1-N 2.78Å; D454-A456 VanDerWaalsContact OD1-N 3.07Å; D454-Q457 HydrophobicContact CB-CB 3.93Å; D454-Q457 HydrophobicContact CB-CG 3.75Å; D454-Q457 WeakPolarHBondContact O-CB 3.26Å; D454-Q457 PolarHBondContact O-N 3.02Å; D454-Q457 PolarHBondContact OD1-N 3.2Å; D454-Q457 WeakPolarHBondContact OD2-CG 3.4Å; D454-A458 PolarHBondContact O-N 3.18Å
455	Q	69.9	Low	82.9	Confident	159 Å²	159	56.6 Å²	56.6	74%	0.743	32%	0.315	S	S	*	.	H	α-helix	trans	-59.1	-33.1	-176.5	-73.2	-174.4	-9.9	0	0	113	Q457 A458 Q459	Q455-Q457 VanDerWaalsContact C-N 3.34Å; Q455-A458 PolarHBondContact O-N 3.16Å; Q455-Q459 WeakPolarHBondContact O-CG 3.28Å; Q455-Q459 PolarHBondContact O-N 2.61Å
456	A	71	Confident	83	Confident	64 Å²	64	55.9 Å²	55.9	53%	0.529	31%	0.31	S	S	.	.	H	α-helix	trans	-71.3	-33.3	178.2	0	0	0	0	0	111.4	D454	D454-A456 PolarHBondContact O-N 2.72Å; D454-A456 PolarHBondContact OD1-N 2.78Å; D454-A456 VanDerWaalsContact OD1-N 3.07Å
457	Q	75.6	Confident	83.1	Confident	15 Å²	15	55.6 Å²	55.6	7%	0.07	31%	0.309	C	S	.	.	H	α-helix	trans	-73.3	-40.2	174	-63.7	-67.8	-41.4	0	0	111.7	D454 Q455 Q459 R460 V461	D454-Q457 HydrophobicContact CB-CB 3.93Å; D454-Q457 HydrophobicContact CB-CG 3.75Å; D454-Q457 WeakPolarHBondContact O-CB 3.26Å; D454-Q457 PolarHBondContact O-N 3.02Å; D454-Q457 PolarHBondContact OD1-N 3.2Å; D454-Q457 WeakPolarHBondContact OD2-CG 3.4Å; Q455-Q457 VanDerWaalsContact C-N 3.34Å; Q457-Q459 VanDerWaalsContact C-N 3.25Å; Q457-Q459 PolarHBondContact O-N 3.26Å; Q457-R460 WeakPolarHBondContact O-CG 3.44Å; Q457-R460 PolarHBondContact O-N 3.47Å; Q457-V461 WeakPolarHBondContact O-CG2 3.28Å; Q457-V461 PolarHBondContact O-N 2.75Å
458	A	76.9	Confident	83.4	Confident	43 Å²	43	50.6 Å²	50.6	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-34.3	177.8	0	0	0	0	0	112.4	D454 Q455 R460	D454-A458 PolarHBondContact O-N 3.18Å; Q455-A458 PolarHBondContact O-N 3.16Å; A458-R460 VanDerWaalsContact C-N 3.34Å; A458-R460 PolarHBondContact O-N 3.46Å
459	Q	82.8	Confident	83.9	Confident	155 Å²	155	49.9 Å²	49.9	72%	0.724	28%	0.275	S	S	*	.	H	α-helix	trans	-70.9	-25.9	-179.8	-76.4	176.8	0.3	0	0	114.3	H425 Q455 Q457	H425-Q459 PolarHBondContact CE1-O 2.97Å; H425-Q459 VanDerWaalsContact CE1-O 3.27Å; Q455-Q459 WeakPolarHBondContact O-CG 3.28Å; Q455-Q459 PolarHBondContact O-N 2.61Å; Q457-Q459 VanDerWaalsContact C-N 3.25Å; Q457-Q459 PolarHBondContact O-N 3.26Å
460	R	88.7	Confident	84.8	Confident	20 Å²	20	46.4 Å²	46.4	8%	0.075	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.9	-177.3	67.5	172.7	-161	103.8	-0.5	113.9	V416 T419 H425 L426 Q457 A458	V416-R460 PolarHBondContact O-NH2 3.28Å; T419-R460 PolarHBondContact OG1-NH1 3.13Å; T419-R460 VanDerWaalsContact OG1-NH1 3.11Å; H425-R460 CarbonylContact C-O 3.1Å; H425-R460 WeakPolarHBondContact CA-O 3.2Å; L426-R460 PolarHBondContact N-O 2.76Å; Q457-R460 WeakPolarHBondContact O-CG 3.44Å; Q457-R460 PolarHBondContact O-N 3.47Å; A458-R460 VanDerWaalsContact C-N 3.34Å; A458-R460 PolarHBondContact O-N 3.46Å
461	V	92.9	Very high	85.9	Confident	16 Å²	16	44.3 Å²	44.3	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.1	-179.5	178.2	0	0	0	0	109.1	V416 L426 F428 L451 Q457 L463	V416-V461 HydrophobicContact CG2-CG2 4.28Å; L426-V461 HydrophobicContact CB-CG2 4.4Å; L426-V461 HydrophobicContact CD1-CG2 4.43Å; L426-V461 CarbonylContact O-C 3.6Å; L426-V461 WeakPolarHBondContact O-CA 3.49Å; F428-V461 HydrophobicContact CD2-CG1 3.79Å; F428-V461 HydrophobicContact CE2-CG1 3.76Å; L451-V461 HydrophobicContact CD1-CB 4.13Å; L451-V461 HydrophobicContact CD1-CG1 3.71Å; L451-V461 HydrophobicContact CD1-CG2 4.42Å; L451-V461 HydrophobicContact CD2-CG2 4.32Å; Q457-V461 WeakPolarHBondContact O-CG2 3.28Å; Q457-V461 PolarHBondContact O-N 2.75Å; V461-L463 HydrophobicContact CG1-CD2 3.91Å; V461-L463 HydrophobicContact CG1-CG 4.46Å
462	T	94.4	Very high	86.9	Confident	34 Å²	34	43.2 Å²	43.2	21%	0.209	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.8	172.5	-56.7	0	0	0	0	109.4	H425 L426 V427 F428 V464	H425-T462 PolarHBondContact NE2-OG1 3.38Å; L426-T462 PolarHBondContact O-N 3.45Å; V427-T462 VanDerWaalsContact CA-O 3.31Å; V427-T462 WeakPolarHBondContact CA-O 3.24Å; F428-T462 PolarHBondContact N-O 3.07Å; T462-V464 HydrophobicContact CG2-CG1 3.72Å
463	L	95.6	Very high	88.1	Confident	45 Å²	45	41 Å²	41	24%	0.236	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127	174.5	-50.5	178.6	0	0	0	107.1	F428 P445 F446 L448 V461	F428-L463 HydrophobicContact CB-CD2 3.81Å; F428-L463 HydrophobicContact CD2-CD2 3.74Å; F428-L463 HydrophobicContact CG-CD2 4.13Å; P445-L463 HydrophobicContact CB-CB 3.96Å; F446-L463 HydrophobicContact CB-CD1 4.39Å; F446-L463 WeakPolarHBondContact O-CD1 3.41Å; L448-L463 HydrophobicContact CB-CD1 4.1Å; L448-L463 HydrophobicContact CD1-CD1 3.83Å; L448-L463 HydrophobicContact CD1-CD2 3.72Å; L448-L463 HydrophobicContact CD1-CG 4.39Å; L448-L463 HydrophobicContact CG-CD1 3.88Å; V461-L463 HydrophobicContact CG1-CD2 3.91Å; V461-L463 HydrophobicContact CG1-CG 4.46Å
464	V	97.1	Very high	89.1	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.			trans	-126.4	156.1	-173.4	-56.6	0	0	0	0	110.1	L198 V427 F428 V429 P430 P445 T462 L470	L198-V464 HydrophobicContact CD2-CG1 4.46Å; V427-V464 HydrophobicContact CG1-CG1 3.84Å; V427-V464 HydrophobicContact CG1-CG2 3.85Å; F428-V464 WeakPolarHBondContact O-CG2 3.29Å; F428-V464 PolarHBondContact O-N 3.23Å; V429-V464 HydrophobicContact CB-CG2 4.28Å; V429-V464 HydrophobicContact CG1-CG2 4.48Å; V429-V464 HydrophobicContact CG2-CG2 3.69Å; P430-V464 WeakPolarHBondContact CD-O 3.38Å; P445-V464 WeakPolarHBondContact CA-O 3.46Å; T462-V464 HydrophobicContact CG2-CG1 3.72Å; V464-L470 HydrophobicContact CG1-CD1 4.15Å; V464-L470 HydrophobicContact CG1-CD2 3.78Å; V464-L470 HydrophobicContact CG1-CG 4.46Å
465	P	97.6	Very high	89.9	Confident	3 Å²	3	31.6 Å²	31.6	2%	0.019	18%	0.177	C	C	.	.			trans	-73.7	168.7	174.6	28.2	-28.7	0	0	0	111.8	L206 Q443 P445 P467 C468	L206-P465 HydrophobicContact CB-CB 4.06Å; L206-P465 HydrophobicContact CB-CG 4.18Å; L206-P465 HydrophobicContact CD2-CB 4.03Å; L206-P465 HydrophobicContact CG-CB 4.22Å; Q443-P465 VanDerWaalsContact O-CA 3.24Å; Q443-P465 WeakPolarHBondContact O-CA 3.44Å; Q443-P465 WeakPolarHBondContact O-CB 3.45Å; P445-P465 HydrophobicContact CG-CB 4.41Å; P465-P467 CarbonylContact C-O 3.42Å; P465-P467 CarbonylContact O-C 3.55Å; P465-C468 HydrophobicContact CG-CB 3.98Å; P465-C468 PolarHBondContact O-SG 3.01Å
466	D	97.9	Very high	91.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-116.5	116.4	166.6	179.7	35.9	0	0	0	109.9	V429 P430 P442 Q443 T480 S481	V429-D466 HydrophobicContact CG1-CB 4.13Å; P430-D466 HydrophobicContact CG-CB 3.89Å; P430-D466 WeakPolarHBondContact O-CB 3.26Å; P442-D466 CarbonylContact C-O 3.53Å; P442-D466 VanDerWaalsContact CA-O 3.24Å; P442-D466 WeakPolarHBondContact CA-O 3.37Å; P442-D466 WeakPolarHBondContact CB-O 3.32Å; Q443-D466 HydrophobicContact CB-CB 4.35Å; Q443-D466 PolarHBondContact N-O 3.3Å; Q443-D466 PolarHBondContact O-N 3.16Å; D466-T480 WeakPolarHBondContact OD1-CA 3.37Å; D466-T480 PolarHBondContact OD1-OG1 3.37Å; D466-T480 VanDerWaalsContact OD1-OG1 3.12Å; D466-S481 PolarHBondContact OD1-N 3.08Å; D466-S481 WeakPolarHBondContact OD2-CB 3.43Å; D466-S481 PolarHBondContact OD2-OG 3.33Å
467	P	98.1	Very high	92.5	Very high	3 Å²	3	21 Å²	21	2%	0.019	12%	0.117	C	C	.	.	S	Bend	cis	-82.8	176.1	-0.2	39	-33.4	0	0	0	111.3	Y441 P465 L479 F515	Y441-P467 HydrophobicContact CE2-CG 4.32Å; Y441-P467 VanDerWaalsContact CZ-CD 3.46Å; Y441-P467 WeakPolarHBondContact OH-CB 3.34Å; Y441-P467 WeakPolarHBondContact OH-CD 3.45Å; Y441-P467 WeakPolarHBondContact OH-CG 3.37Å; P465-P467 CarbonylContact C-O 3.42Å; P465-P467 CarbonylContact O-C 3.55Å; P467-L479 VanDerWaalsContact CA-O 3.3Å; P467-L479 WeakPolarHBondContact CA-O 3.27Å; P467-L479 WeakPolarHBondContact CB-O 3.33Å; P467-F515 HydrophobicContact CB-CB 3.7Å; P467-F515 HydrophobicContact CB-CD1 3.89Å; P467-F515 HydrophobicContact CB-CD2 3.56Å; P467-F515 HydrophobicContact CB-CE1 4.4Å; P467-F515 HydrophobicContact CB-CE2 4.11Å; P467-F515 HydrophobicContact CB-CG 3.44Å; P467-F515 VanDerWaalsContact CB-CG 3.44Å; P467-F515 HydrophobicContact CB-CZ 4.49Å; P467-F515 HydrophobicContact CG-CB 3.79Å; P467-F515 HydrophobicContact CG-CD2 3.57Å; P467-F515 HydrophobicContact CG-CE2 4.33Å; P467-F515 HydrophobicContact CG-CG 3.79Å
468	C	97.6	Very high	93.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	162.8	166.8	63.4	0	0	0	0	113	L198 P465 L479	L198-C468 HydrophobicContact CD2-CB 3.79Å; P465-C468 HydrophobicContact CG-CB 3.98Å; P465-C468 PolarHBondContact O-SG 3.01Å; C468-L479 PolarHBondContact N-O 2.94Å; C468-L479 PolarHBondContact O-N 3.17Å
469	T	97.5	Very high	94.7	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116	165.7	-54.5	0	0	0	0	109.9	L199 F477	L199-T469 HydrophobicContact CB-CG2 3.99Å; L199-T469 WeakPolarHBondContact CB-O 3.39Å; L199-T469 HydrophobicContact CD2-CG2 3.67Å; L199-T469 HydrophobicContact CG-CG2 4.5Å; L199-T469 PolarHBondContact N-O 3.34Å; T469-F477 CarbonylContact C-O 3.5Å; T469-F477 WeakPolarHBondContact CA-O 3.28Å
470	L	96.3	Very high	95.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.3	176.5	-68.5	177.9	0	0	0	112	N197 L198 V427 V464 I472 T476 F477 L479	N197-L470 CarbonylContact O-C 3.56Å; N197-L470 WeakPolarHBondContact O-CA 3.06Å; L198-L470 HydrophobicContact CD2-CD2 3.56Å; L198-L470 HydrophobicContact CG-CD2 3.98Å; V427-L470 HydrophobicContact CG1-CD1 3.68Å; V464-L470 HydrophobicContact CG1-CD1 4.15Å; V464-L470 HydrophobicContact CG1-CD2 3.78Å; V464-L470 HydrophobicContact CG1-CG 4.46Å; L470-I472 HydrophobicContact CB-CG1 4.48Å; L470-T476 CarbonylContact O-C 3.57Å; L470-T476 WeakPolarHBondContact O-CA 3.19Å; L470-F477 HydrophobicContact CB-CB 4.33Å; L470-F477 PolarHBondContact N-O 2.64Å; L470-F477 PolarHBondContact O-N 3.02Å; L470-L479 HydrophobicContact CD1-CD1 3.42Å; L470-L479 VanDerWaalsContact CD1-CD1 3.42Å; L470-L479 HydrophobicContact CD1-CG 4.47Å; L470-L479 HydrophobicContact CG-CD1 4.07Å
471	L	95	Very high	95.8	Very high	36 Å²	36	10.1 Å²	10.1	19%	0.188	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.1	170.3	-168.9	70.2	0	0	0	108.4	N197 G474 V475 T476	N197-L471 PolarHBondContact N-O 3.49Å; N197-L471 VanDerWaalsContact N-O 3.07Å; N197-L471 PolarHBondContact O-N 2.9Å; L471-G474 VanDerWaalsContact CD1-C 3.48Å; L471-V475 WeakPolarHBondContact CA-O 3.35Å; L471-T476 HydrophobicContact CD1-CG2 3.75Å
472	I	93.6	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	106.6	178.5	-55.9	179.7	0	0	0	107.7	V194 Q195 V196 L346 I348 V380 L382 L470 G474 V475 F477 I583	V194-I472 HydrophobicContact CG1-CG2 3.89Å; Q195-I472 WeakPolarHBondContact O-CA 3.5Å; V196-I472 HydrophobicContact CG1-CG1 4.43Å; V196-I472 HydrophobicContact CG2-CG1 4.45Å; V196-I472 HydrophobicContact CG2-CG2 4.47Å; L346-I472 HydrophobicContact CD1-CG2 4.44Å; I348-I472 HydrophobicContact CD1-CG2 4.14Å; V380-I472 HydrophobicContact CG1-CD1 4.39Å; V380-I472 HydrophobicContact CG2-CG2 4.1Å; L382-I472 HydrophobicContact CD2-CD1 4.11Å; L470-I472 HydrophobicContact CB-CG1 4.48Å; I472-G474 PolarHBondContact O-N 3.18Å; I472-G474 VanDerWaalsContact O-N 3.14Å; I472-V475 PolarHBondContact N-O 3.33Å; I472-V475 WeakPolarHBondContact O-CB 3.22Å; I472-V475 PolarHBondContact O-N 2.9Å; I472-F477 HydrophobicContact CB-CD2 4.08Å; I472-F477 HydrophobicContact CB-CE2 3.97Å; I472-F477 HydrophobicContact CD1-CD2 3.76Å; I472-F477 HydrophobicContact CD1-CE2 3.9Å; I472-F477 HydrophobicContact CD1-CG 4.13Å; I472-F477 HydrophobicContact CD1-CZ 4.36Å; I472-F477 HydrophobicContact CG1-CD2 3.95Å; I472-F477 HydrophobicContact CG1-CE2 4.22Å; I472-I583 HydrophobicContact CG2-CD1 4.23Å
473	D	88.1	Confident	96.1	Very high	46 Å²	46	8.9 Å²	8.9	25%	0.246	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	39.5	-177.2	-155.5	23.5	0	0	0	114.1	Q195 L346	Q195-D473 PolarHBondContact O-N 3.12Å; L346-D473 HydrophobicContact CD1-CB 3.43Å; L346-D473 VanDerWaalsContact CD1-CB 3.43Å
474	G	88.2	Confident	96.2	Very high	15 Å²	15	6.7 Å²	6.7	16%	0.155	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-3.4	-179.7	0	0	0	0	0	115.7	L471 I472	L471-G474 VanDerWaalsContact CD1-C 3.48Å; I472-G474 PolarHBondContact O-N 3.18Å; I472-G474 VanDerWaalsContact O-N 3.14Å
475	V	93.9	Very high	96.2	Very high	3 Å²	3	6.8 Å²	6.8	2%	0.018	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.3	174.9	-177.9	0	0	0	0	109.8	L471 I472 F477 D543 I544 I583 P597	L471-V475 WeakPolarHBondContact CA-O 3.35Å; I472-V475 PolarHBondContact N-O 3.33Å; I472-V475 WeakPolarHBondContact O-CB 3.22Å; I472-V475 PolarHBondContact O-N 2.9Å; V475-F477 HydrophobicContact CB-CE2 4.16Å; V475-F477 HydrophobicContact CG1-CD2 4.28Å; V475-F477 HydrophobicContact CG1-CE2 3.8Å; V475-D543 HydrophobicContact CG1-CB 3.88Å; V475-I544 HydrophobicContact CG1-CD1 4.06Å; V475-I583 HydrophobicContact CB-CD1 4.13Å; V475-I583 HydrophobicContact CG1-CD1 4.43Å; V475-I583 HydrophobicContact CG2-CD1 4.16Å; V475-P597 HydrophobicContact CG1-CB 4.06Å; V475-P597 HydrophobicContact CG1-CG 3.67Å; V475-P597 HydrophobicContact CG2-CB 3.71Å; V475-P597 HydrophobicContact CG2-CG 4.19Å
476	T	96.9	Very high	96.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129	-177.6	54.3	0	0	0	0	112.6	L199 H331 L470 L471 V540 P542 D543 I544	L199-T476 HydrophobicContact CD2-CG2 4.32Å; H331-T476 HydrophobicContact CB-CG2 3.49Å; H331-T476 VanDerWaalsContact CB-CG2 3.49Å; L470-T476 CarbonylContact O-C 3.57Å; L470-T476 WeakPolarHBondContact O-CA 3.19Å; L471-T476 HydrophobicContact CD1-CG2 3.75Å; T476-V540 HydrophobicContact CG2-CG2 4.33Å; T476-P542 WeakPolarHBondContact OG1-CA 3.49Å; T476-D543 PolarHBondContact N-OD2 3.31Å; T476-D543 WeakPolarHBondContact O-CB 3.41Å; T476-D543 PolarHBondContact O-N 3.49Å; T476-D543 VanDerWaalsContact O-N 3.08Å; T476-D543 VanDerWaalsContact OG1-CG 3.31Å; T476-D543 PolarHBondContact OG1-N 3.23Å; T476-D543 PolarHBondContact OG1-OD2 2.87Å; T476-I544 PolarHBondContact O-N 3.48Å
477	F	98.5	Very high	96.1	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113	178	-78.8	-101.8	0	0	0	109.8	I348 L382 T469 L470 I472 V475 L479 I544 V546 I583	I348-F477 HydrophobicContact CG1-CZ 4.14Å; I348-F477 HydrophobicContact CG2-CE1 4.45Å; L382-F477 HydrophobicContact CD1-CD1 3.96Å; L382-F477 HydrophobicContact CD1-CE1 4.24Å; T469-F477 CarbonylContact C-O 3.5Å; T469-F477 WeakPolarHBondContact CA-O 3.28Å; L470-F477 HydrophobicContact CB-CB 4.33Å; L470-F477 PolarHBondContact N-O 2.64Å; L470-F477 PolarHBondContact O-N 3.02Å; I472-F477 HydrophobicContact CB-CD2 4.08Å; I472-F477 HydrophobicContact CB-CE2 3.97Å; I472-F477 HydrophobicContact CD1-CD2 3.76Å; I472-F477 HydrophobicContact CD1-CE2 3.9Å; I472-F477 HydrophobicContact CD1-CG 4.13Å; I472-F477 HydrophobicContact CD1-CZ 4.36Å; I472-F477 HydrophobicContact CG1-CD2 3.95Å; I472-F477 HydrophobicContact CG1-CE2 4.22Å; V475-F477 HydrophobicContact CB-CE2 4.16Å; V475-F477 HydrophobicContact CG1-CD2 4.28Å; V475-F477 HydrophobicContact CG1-CE2 3.8Å; F477-L479 HydrophobicContact CB-CD2 3.95Å; F477-L479 HydrophobicContact CB-CG 4.45Å; F477-L479 HydrophobicContact CD1-CD2 4.42Å; F477-I544 CarbonylContact C-O 3.49Å; F477-I544 VanDerWaalsContact CA-O 3.27Å; F477-I544 WeakPolarHBondContact CA-O 3.39Å; F477-I544 HydrophobicContact CD1-CB 3.91Å; F477-I544 HydrophobicContact CD1-CD1 4.39Å; F477-I544 HydrophobicContact CD1-CG2 3.83Å; F477-I544 HydrophobicContact CE1-CB 3.91Å; F477-I544 HydrophobicContact CE1-CD1 3.62Å; F477-I544 HydrophobicContact CE1-CG1 4.37Å; F477-I544 HydrophobicContact CE1-CG2 3.72Å; F477-I544 HydrophobicContact CE2-CD1 3.92Å; F477-I544 HydrophobicContact CG-CB 4.4Å; F477-I544 HydrophobicContact CZ-CB 4.38Å; F477-I544 HydrophobicContact CZ-CD1 3.34Å; F477-I544 HydrophobicContact CZ-CG1 4.44Å; F477-V546 HydrophobicContact CD1-CG2 4.32Å; F477-I583 HydrophobicContact CE2-CD1 3.72Å; F477-I583 HydrophobicContact CZ-CD1 3.89Å; F477-I583 HydrophobicContact CZ-CG2 4.03Å
478	G	98.6	Very high	96	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.3	166	0	0	0	0	0	109.2	I544 V546	G478-I544 PolarHBondContact N-O 3.16Å; G478-V546 PolarHBondContact O-N 3.11Å
479	L	98.7	Very high	95.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.6	-177	-51.4	-173.4	0	0	0	110.1	L382 F384 V429 P467 C468 L470 F477 V546	L382-L479 HydrophobicContact CD1-CD1 4.46Å; L382-L479 HydrophobicContact CD1-CD2 3.86Å; F384-L479 HydrophobicContact CE1-CB 4.02Å; F384-L479 HydrophobicContact CZ-CB 3.93Å; F384-L479 HydrophobicContact CZ-CD1 4.38Å; F384-L479 HydrophobicContact CZ-CD2 3.92Å; F384-L479 HydrophobicContact CZ-CG 4.3Å; V429-L479 HydrophobicContact CG2-CD1 3.96Å; P467-L479 VanDerWaalsContact CA-O 3.3Å; P467-L479 WeakPolarHBondContact CA-O 3.27Å; P467-L479 WeakPolarHBondContact CB-O 3.33Å; C468-L479 PolarHBondContact N-O 2.94Å; C468-L479 PolarHBondContact O-N 3.17Å; L470-L479 HydrophobicContact CD1-CD1 3.42Å; L470-L479 VanDerWaalsContact CD1-CD1 3.42Å; L470-L479 HydrophobicContact CD1-CG 4.47Å; L470-L479 HydrophobicContact CG-CD1 4.07Å; F477-L479 HydrophobicContact CB-CD2 3.95Å; F477-L479 HydrophobicContact CB-CG 4.45Å; F477-L479 HydrophobicContact CD1-CD2 4.42Å; L479-V546 HydrophobicContact CD2-CB 3.83Å; L479-V546 HydrophobicContact CD2-CG2 3.84Å
480	T	98.5	Very high	95.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.062	C	C	.	.			trans	-144.1	142.5	163.7	-177.3	0	0	0	0	111.1	F384 D466 S482 I484 F515 V546 V547 P548	F384-T480 WeakPolarHBondContact CE1-O 3.36Å; D466-T480 WeakPolarHBondContact OD1-CA 3.37Å; D466-T480 PolarHBondContact OD1-OG1 3.37Å; D466-T480 VanDerWaalsContact OD1-OG1 3.12Å; T480-S482 PolarHBondContact OG1-N 3.16Å; T480-I484 HydrophobicContact CG2-CG2 4.33Å; T480-F515 HydrophobicContact CG2-CD1 4.23Å; T480-V546 PolarHBondContact N-O 2.94Å; T480-V547 HydrophobicContact CG2-CG1 3.72Å; T480-P548 WeakPolarHBondContact O-CD 3.25Å
481	S	97.9	Very high	95.6	Very high	5 Å²	5	13 Å²	13	4%	0.035	8%	0.075	C	C	.	.			trans	-90.4	-20.4	175.9	87.8	0	0	0	0	113.3	P430 A431 D466	P430-S481 WeakPolarHBondContact O-CB 3.48Å; P430-S481 PolarHBondContact O-OG 3.46Å; A431-S481 WeakPolarHBondContact CA-OG 3.11Å; A431-S481 WeakPolarHBondContact CB-OG 3.49Å; D466-S481 PolarHBondContact OD1-N 3.08Å; D466-S481 WeakPolarHBondContact OD2-CB 3.43Å; D466-S481 PolarHBondContact OD2-OG 3.33Å
482	S	96.3	Very high	95.6	Very high	6 Å²	6	12 Å²	12	4%	0.042	7%	0.07	C	C	.	.	S	Bend	trans	-67.3	139	-177.7	-69.4	0	0	0	0	111.1	T480 I484	T480-S482 PolarHBondContact OG1-N 3.16Å; S482-I484 PolarHBondContact O-N 3.08Å
483	D	97.1	Very high	95.8	Very high	18 Å²	18	12.9 Å²	12.9	10%	0.096	7%	0.074	C	C	.	.			trans	-81.1	51.2	-175.1	-150.1	-32.2	0	0	0	112.9	L485 F486 H487 S549 E550 R568	D483-L485 PolarHBondContact O-N 3.01Å; D483-L485 VanDerWaalsContact O-N 3.16Å; D483-F486 HydrophobicContact CB-CB 4.31Å; D483-F486 PolarHBondContact O-N 2.88Å; D483-F486 WeakPolarHBondContact OD1-CB 3.45Å; D483-F486 PolarHBondContact OD1-N 3.38Å; D483-H487 PolarHBondContact O-CD2 2.73Å; D483-H487 VanDerWaalsContact O-CD2 3.24Å; D483-H487 PolarHBondContact O-N 3.43Å; D483-S549 WeakPolarHBondContact OD1-CA 3.46Å; D483-S549 WeakPolarHBondContact OD1-CB 3.23Å; D483-S549 PolarHBondContact OD1-OG 3.22Å; D483-S549 WeakPolarHBondContact OD2-CA 3.38Å; D483-S549 PolarHBondContact OD2-OG 2.82Å; D483-E550 PolarHBondContact OD2-N 2.71Å; D483-R568 IonicContact OD2-CZ 3.99Å; D483-R568 IonicContact OD2-NH2 3.33Å; D483-R568 PolarHBondContact OD2-NH2 2.82Å
484	I	97.5	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.4	-30.9	-177.2	-177.5	59.7	0	0	0	112.6	T480 S482 H487 M488 M509 Y516 L518 V547	T480-I484 HydrophobicContact CG2-CG2 4.33Å; S482-I484 PolarHBondContact O-N 3.08Å; I484-H487 PolarHBondContact O-N 3.35Å; I484-M488 HydrophobicContact CD1-CG 3.55Å; I484-M488 HydrophobicContact CD1-SD 3.71Å; I484-M488 HydrophobicContact CG1-CG 4.06Å; I484-M488 HydrophobicContact CG1-SD 3.75Å; I484-M488 WeakPolarHBondContact O-CB 3.17Å; I484-M488 WeakPolarHBondContact O-CG 3.15Å; I484-M488 PolarHBondContact O-N 3.18Å; I484-M509 HydrophobicContact CG1-CE 4.3Å; I484-M509 HydrophobicContact CG1-SD 4.24Å; I484-M509 HydrophobicContact CG2-CE 3.51Å; I484-M509 HydrophobicContact CG2-SD 3.79Å; I484-Y516 HydrophobicContact CB-CD2 4.14Å; I484-Y516 HydrophobicContact CB-CE2 4.36Å; I484-Y516 HydrophobicContact CD1-CD1 4.03Å; I484-Y516 HydrophobicContact CD1-CD2 3.65Å; I484-Y516 HydrophobicContact CD1-CE1 4.15Å; I484-Y516 HydrophobicContact CD1-CE2 3.78Å; I484-Y516 HydrophobicContact CD1-CG 3.79Å; I484-Y516 HydrophobicContact CG1-CD2 4.28Å; I484-L518 HydrophobicContact CD1-CB 4.11Å; I484-V547 HydrophobicContact CG2-CG1 4.42Å
485	L	96.3	Very high	96.4	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-43.8	175.2	-67.8	179.7	0	0	0	112.4	D483 G489 I505 L506 M509 V547 L551 F554 N565	D483-L485 PolarHBondContact O-N 3.01Å; D483-L485 VanDerWaalsContact O-N 3.16Å; L485-G489 WeakPolarHBondContact O-CA 3.22Å; L485-G489 PolarHBondContact O-N 2.78Å; L485-I505 HydrophobicContact CD2-CG2 3.8Å; L485-L506 HydrophobicContact CD2-CD2 3.8Å; L485-L506 HydrophobicContact CD2-CG 4.08Å; L485-M509 HydrophobicContact CD2-SD 4.3Å; L485-V547 HydrophobicContact CD1-CB 4.02Å; L485-V547 HydrophobicContact CD1-CG2 3.69Å; L485-V547 HydrophobicContact CG-CB 4.23Å; L485-V547 HydrophobicContact CG-CG2 4.21Å; L485-L551 HydrophobicContact CB-CD1 3.98Å; L485-F554 HydrophobicContact CD1-CE1 3.78Å; L485-F554 HydrophobicContact CD1-CZ 3.58Å; L485-N565 HydrophobicContact CD1-CB 4.43Å
486	F	95.9	Very high	95.9	Very high	31 Å²	31	16.8 Å²	16.8	14%	0.136	11%	0.11	C	C	.	.	H	α-helix	trans	-67.4	-42.6	176	-175.9	-103.5	0	0	0	110.8	L111 D483 G489 A490 L551	L111-F486 HydrophobicContact CD2-CD2 4.36Å; L111-F486 HydrophobicContact CD2-CE2 4.3Å; D483-F486 HydrophobicContact CB-CB 4.31Å; D483-F486 PolarHBondContact O-N 2.88Å; D483-F486 WeakPolarHBondContact OD1-CB 3.45Å; D483-F486 PolarHBondContact OD1-N 3.38Å; F486-G489 PolarHBondContact O-N 3.35Å; F486-A490 PolarHBondContact O-N 3.31Å; F486-L551 HydrophobicContact CB-CD1 4.44Å; F486-L551 HydrophobicContact CB-CG 4.42Å; F486-L551 HydrophobicContact CD2-CD2 3.91Å; F486-L551 HydrophobicContact CD2-CG 4.19Å
487	H	96.9	Very high	95.2	Very high	13 Å²	13	19 Å²	19	6%	0.06	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-52.4	-177.8	-54.2	168.4	0	0	0	112.2	D483 I484 G489 A490 Y516 L518 A522 E524 V525	D483-H487 PolarHBondContact O-CD2 2.73Å; D483-H487 VanDerWaalsContact O-CD2 3.24Å; D483-H487 PolarHBondContact O-N 3.43Å; I484-H487 PolarHBondContact O-N 3.35Å; H487-G489 VanDerWaalsContact C-N 3.26Å; H487-G489 PolarHBondContact O-N 2.85Å; H487-A490 PolarHBondContact O-N 2.96Å; H487-Y516 AromaticContact ND1-CE2 3.5Å; H487-Y516 AromaticContact ND1-CZ 3.57Å; H487-Y516 PolarHBondContact ND1-OH 3.05Å; H487-L518 HydrophobicContact CB-CD2 3.65Å; H487-A522 HydrophobicContact CB-CB 4.08Å; H487-E524 IonicContact NE2-OE1 3.92Å; H487-V525 VanDerWaalsContact CE1-CG2 3.44Å; H487-V525 WeakPolarHBondContact CE1-CG2 3.32Å
488	M	96.8	Very high	94.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-32.5	175.6	-71.7	-178.6	72.7	0	0	111.8	F300 I484 A490 E491 E492 I505 H508 M509 P517 L518	F300-M488 HydrophobicContact CD1-CE 3.68Å; F300-M488 HydrophobicContact CD2-CE 3.8Å; F300-M488 HydrophobicContact CE1-CE 3.55Å; F300-M488 HydrophobicContact CE2-CE 3.7Å; F300-M488 HydrophobicContact CG-CE 3.81Å; F300-M488 HydrophobicContact CZ-CE 3.57Å; I484-M488 HydrophobicContact CD1-CG 3.55Å; I484-M488 HydrophobicContact CD1-SD 3.71Å; I484-M488 HydrophobicContact CG1-CG 4.06Å; I484-M488 HydrophobicContact CG1-SD 3.75Å; I484-M488 WeakPolarHBondContact O-CB 3.17Å; I484-M488 WeakPolarHBondContact O-CG 3.15Å; I484-M488 PolarHBondContact O-N 3.18Å; M488-A490 VanDerWaalsContact C-N 3.33Å; M488-A490 PolarHBondContact O-N 2.77Å; M488-E491 PolarHBondContact O-N 2.98Å; M488-E492 WeakPolarHBondContact O-CB 3.39Å; M488-E492 PolarHBondContact O-N 3.01Å; M488-I505 HydrophobicContact CB-CG1 4.47Å; M488-I505 HydrophobicContact CB-CG2 3.68Å; M488-I505 HydrophobicContact CE-CG2 4.31Å; M488-I505 HydrophobicContact CG-CG2 4.44Å; M488-I505 HydrophobicContact SD-CG2 4.02Å; M488-H508 HydrophobicContact CE-CB 3.6Å; M488-M509 HydrophobicContact SD-CG 4.01Å; M488-P517 HydrophobicContact CE-CG 3.91Å; M488-P517 HydrophobicContact SD-CG 3.63Å; M488-L518 HydrophobicContact CG-CB 3.96Å
489	G	93.9	Very high	93.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-52.4	-54.7	171.7	0	0	0	0	0	110.5	L485 F486 H487 E491 R501	L485-G489 WeakPolarHBondContact O-CA 3.22Å; L485-G489 PolarHBondContact O-N 2.78Å; F486-G489 PolarHBondContact O-N 3.35Å; H487-G489 VanDerWaalsContact C-N 3.26Å; H487-G489 PolarHBondContact O-N 2.85Å; G489-E491 PolarHBondContact O-N 3.28Å; G489-E491 VanDerWaalsContact O-N 3.16Å; G489-R501 VanDerWaalsContact C-NH2 3.27Å; G489-R501 PolarHBondContact O-NH2 2.95Å
490	A	93	Very high	93.1	Very high	36 Å²	36	30.7 Å²	30.7	30%	0.298	20%	0.2	S	C	.	.	H	α-helix	trans	-60.1	-26	-177.2	0	0	0	0	0	114.7	K268 F486 H487 M488	K268-A490 WeakPolarHBondContact CE-O 3.46Å; F486-A490 PolarHBondContact O-N 3.31Å; H487-A490 PolarHBondContact O-N 2.96Å; M488-A490 VanDerWaalsContact C-N 3.33Å; M488-A490 PolarHBondContact O-N 2.77Å
491	E	95.2	Very high	92.8	Very high	62 Å²	62	32.7 Å²	32.7	29%	0.29	21%	0.207	S	C	.	.	H	α-helix	trans	-110.8	-7.8	-171.3	-62.4	-70.9	177	0	0	114.5	P301 M488 G489 L518	P301-E491 HydrophobicContact CG-CB 4.21Å; M488-E491 PolarHBondContact O-N 2.98Å; G489-E491 PolarHBondContact O-N 3.28Å; G489-E491 VanDerWaalsContact O-N 3.16Å; E491-L518 HydrophobicContact CB-CD1 3.96Å; E491-L518 HydrophobicContact CG-CD1 4.14Å
492	E	96.4	Very high	92.6	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.07	21%	0.214	C	C	.	.			trans	-74.9	135.8	179.7	-171.9	-113.2	-176.6	0	0	111.9	S298 L299 M488 S494 R504	S298-E492 PolarHBondContact OG-OE1 3.43Å; L299-E492 WeakPolarHBondContact O-CA 3.43Å; M488-E492 WeakPolarHBondContact O-CB 3.39Å; M488-E492 PolarHBondContact O-N 3.01Å; E492-S494 WeakPolarHBondContact OE1-CB 3.3Å; E492-R504 IonicContact OE1-CZ 2.63Å; E492-R504 IonicContact OE1-NE 2.81Å; E492-R504 PolarHBondContact OE1-NE 3.31Å; E492-R504 IonicContact OE1-NH2 3.96Å; E492-R504 PolarHBondContact OE1-NH2 3.33Å; E492-R504 IonicContact OE2-CZ 3.5Å; E492-R504 IonicContact OE2-NE 3.55Å; E492-R504 IonicContact OE2-NH2 2.83Å; E492-R504 PolarHBondContact OE2-NH2 2.78Å
493	I	96.3	Very high	92.6	Very high	18 Å²	18	35 Å²	35	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.1	166.3	63.6	169.9	0	0	0	109.8	L269 V274 L291 Y297 S298 L299	L269-I493 HydrophobicContact CB-CG2 4.4Å; L269-I493 HydrophobicContact CD2-CD1 4.17Å; L269-I493 HydrophobicContact CD2-CG1 4.13Å; L269-I493 HydrophobicContact CG-CD1 4.23Å; L269-I493 HydrophobicContact CG-CG2 4.37Å; L269-I493 WeakPolarHBondContact O-CG2 3.26Å; V274-I493 HydrophobicContact CG2-CD1 3.72Å; L291-I493 HydrophobicContact CD1-CD1 4.25Å; Y297-I493 HydrophobicContact CE2-CD1 3.99Å; Y297-I493 HydrophobicContact CE2-CG1 4.08Å; S298-I493 CarbonylContact C-O 3.54Å; S298-I493 VanDerWaalsContact CA-O 3.31Å; S298-I493 WeakPolarHBondContact CA-O 3.37Å; L299-I493 HydrophobicContact CB-CD1 4.31Å; L299-I493 HydrophobicContact CB-CG1 3.9Å; L299-I493 PolarHBondContact N-O 2.89Å; L299-I493 PolarHBondContact O-N 2.99Å
494	S	95.4	Very high	92.6	Very high	47 Å²	47	35.6 Å²	35.6	33%	0.329	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.8	175.7	72.8	0	0	0	0	112.5	Y297 E492 R504	Y297-S494 CarbonylContact O-C 3.55Å; Y297-S494 VanDerWaalsContact O-CA 3.26Å; Y297-S494 WeakPolarHBondContact O-CA 3.47Å; E492-S494 WeakPolarHBondContact OE1-CB 3.3Å; S494-R504 PolarHBondContact OG-NH2 3.3Å
495	C	94	Very high	92.6	Very high	52 Å²	52	35.6 Å²	35.6	35%	0.351	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.3	172.5	-178.6	0	0	0	0	109.8	Q296 Y297 T497	Q296-C495 VanDerWaalsContact CA-O 3.29Å; Q296-C495 WeakPolarHBondContact CA-O 3.28Å; Y297-C495 HydrophobicContact CD1-CB 3.73Å; Y297-C495 HydrophobicContact CD2-CB 4.34Å; Y297-C495 HydrophobicContact CE1-CB 3.25Å; Y297-C495 HydrophobicContact CE2-CB 3.91Å; Y297-C495 HydrophobicContact CG-CB 4.24Å; Y297-C495 PolarHBondContact N-O 2.92Å; Y297-C495 VanDerWaalsContact N-O 3.12Å; Y297-C495 PolarHBondContact O-N 3.04Å; C495-T497 WeakPolarHBondContact O-CG2 3.29Å; C495-T497 PolarHBondContact O-N 3.32Å
496	G	84.8	Confident	92.7	Very high	47 Å²	47	35.5 Å²	35.5	49%	0.485	22%	0.219	S	C	.	.	S	Bend	trans	63.2	12.5	171.3	0	0	0	0	0	115.8	Q296	Q296-G496 WeakPolarHBondContact CG-O 3.48Å; Q296-G496 PolarHBondContact NE2-O 3.45Å
497	T	82	Confident	92.8	Very high	47 Å²	47	38 Å²	38	29%	0.288	23%	0.229	S	C	.	.			trans	-86.3	137.4	-177.7	73.3	0	0	0	0	111.7	Y297 C495 R504	Y297-T497 WeakPolarHBondContact O-CG2 3.31Å; C495-T497 WeakPolarHBondContact O-CG2 3.29Å; C495-T497 PolarHBondContact O-N 3.32Å; T497-R504 WeakPolarHBondContact OG1-CD 3.43Å; T497-R504 PolarHBondContact OG1-NH1 3.26Å
498	S	77.6	Confident	92.8	Very high	130 Å²	130	38.1 Å²	38.1	91%	0.909	23%	0.23	S	C	*	.			trans	-92	-10.7	177	57.1	0	0	0	0	113.9
499	S	82.4	Confident	92.9	Very high	49 Å²	49	38 Å²	38	34%	0.343	23%	0.23	S	C	.	.	S	Bend	trans	-80.5	144.9	180	176.9	0	0	0	0	111	S503 R504	S499-S503 WeakPolarHBondContact OG-CB 3.3Å; S499-R504 PolarHBondContact O-NH1 3.5Å
500	D	90.4	Very high	93.1	Very high	66 Å²	66	38.1 Å²	38.1	35%	0.353	23%	0.23	S	C	.	.			trans	-65	152.7	171	76.5	93.9	0	0	0	111.8	F502 S503 R504 K556	D500-F502 VanDerWaalsContact C-N 3.34Å; D500-F502 PolarHBondContact O-N 3.48Å; D500-F502 PolarHBondContact OD1-N 3.41Å; D500-S503 VanDerWaalsContact CG-OG 3.29Å; D500-S503 PolarHBondContact O-N 3.5Å; D500-S503 PolarHBondContact OD1-N 3.11Å; D500-S503 VanDerWaalsContact OD1-N 3.1Å; D500-S503 PolarHBondContact OD1-OG 3.41Å; D500-S503 WeakPolarHBondContact OD2-CB 3.32Å; D500-S503 PolarHBondContact OD2-OG 3.05Å; D500-R504 PolarHBondContact O-N 3.25Å; D500-R504 VanDerWaalsContact O-N 3.07Å; D500-K556 WeakPolarHBondContact OD1-CE 3.25Å; D500-K556 IonicContact OD1-NZ 3.91Å; D500-K556 PolarHBondContact OD1-NZ 2.94Å; D500-K556 IonicContact OD2-NZ 2.74Å; D500-K556 PolarHBondContact OD2-NZ 3.41Å
501	R	92.4	Very high	93.3	Very high	42 Å²	42	36.8 Å²	36.8	16%	0.158	22%	0.218	C	C	.	.	H	α-helix	trans	-54	-44.6	-174.6	-176	174.5	-177.6	176.7	-2.6	113.5	E107 G489 R504 I505	E107-R501 IonicContact OE2-CZ 3.39Å; E107-R501 IonicContact OE2-NH1 2.86Å; E107-R501 PolarHBondContact OE2-NH1 2.78Å; G489-R501 VanDerWaalsContact C-NH2 3.27Å; G489-R501 PolarHBondContact O-NH2 2.95Å; R501-R504 PolarHBondContact O-N 3.48Å; R501-I505 HydrophobicContact CG-CD1 3.9Å; R501-I505 WeakPolarHBondContact O-CG1 3.5Å; R501-I505 PolarHBondContact O-N 3.43Å
502	F	94.4	Very high	93.5	Very high	41 Å²	41	34.2 Å²	34.2	18%	0.18	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-41.3	-178.9	-59.4	-22.9	0	0	0	111.5	D500 R504 I505 L506 L551 F554 K556	D500-F502 VanDerWaalsContact C-N 3.34Å; D500-F502 PolarHBondContact O-N 3.48Å; D500-F502 PolarHBondContact OD1-N 3.41Å; F502-R504 VanDerWaalsContact C-N 3.26Å; F502-R504 PolarHBondContact O-N 2.96Å; F502-I505 PolarHBondContact O-N 2.93Å; F502-L506 WeakPolarHBondContact O-CB 3.32Å; F502-L506 WeakPolarHBondContact O-CD1 3.15Å; F502-L506 WeakPolarHBondContact O-CG 3.39Å; F502-L506 PolarHBondContact O-N 2.9Å; F502-L551 HydrophobicContact CD1-CD1 4.41Å; F502-L551 HydrophobicContact CE1-CD1 3.7Å; F502-L551 HydrophobicContact CZ-CB 4.23Å; F502-L551 HydrophobicContact CZ-CD1 4.09Å; F502-L551 HydrophobicContact CZ-CD2 4.47Å; F502-F554 HydrophobicContact CB-CE1 4.22Å; F502-F554 AromaticContact CD2-CD1 3.69Å; F502-F554 HydrophobicContact CD2-CD1 3.69Å; F502-F554 AromaticContact CD2-CE1 3.83Å; F502-F554 HydrophobicContact CD2-CE1 3.83Å; F502-F554 HydrophobicContact CE2-CD1 4.19Å; F502-F554 HydrophobicContact CE2-CE1 4.45Å; F502-F554 HydrophobicContact CG-CD1 4.42Å; F502-F554 HydrophobicContact CG-CE1 4.12Å; F502-K556 HydrophobicContact CB-CD 4.3Å
503	S	96.2	Very high	93.5	Very high	18 Å²	18	35 Å²	35	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-35.9	174.2	-61.3	0	0	0	0	112.2	S499 D500 K507	S499-S503 WeakPolarHBondContact OG-CB 3.3Å; D500-S503 VanDerWaalsContact CG-OG 3.29Å; D500-S503 PolarHBondContact O-N 3.5Å; D500-S503 PolarHBondContact OD1-N 3.11Å; D500-S503 VanDerWaalsContact OD1-N 3.1Å; D500-S503 PolarHBondContact OD1-OG 3.41Å; D500-S503 WeakPolarHBondContact OD2-CB 3.32Å; D500-S503 PolarHBondContact OD2-OG 3.05Å; S503-K507 VanDerWaalsContact O-CB 3.26Å; S503-K507 WeakPolarHBondContact O-CB 3.46Å; S503-K507 PolarHBondContact O-N 3.33Å
504	R	96.3	Very high	93.6	Very high	30 Å²	30	34.3 Å²	34.3	11%	0.113	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-48.3	174.1	-63.3	-167.6	-52.3	-98.4	3.2	112.3	E492 S494 T497 S499 D500 R501 F502 L506 K507 H508	E492-R504 IonicContact OE1-CZ 2.63Å; E492-R504 IonicContact OE1-NE 2.81Å; E492-R504 PolarHBondContact OE1-NE 3.31Å; E492-R504 IonicContact OE1-NH2 3.96Å; E492-R504 PolarHBondContact OE1-NH2 3.33Å; E492-R504 IonicContact OE2-CZ 3.5Å; E492-R504 IonicContact OE2-NE 3.55Å; E492-R504 IonicContact OE2-NH2 2.83Å; E492-R504 PolarHBondContact OE2-NH2 2.78Å; S494-R504 PolarHBondContact OG-NH2 3.3Å; T497-R504 WeakPolarHBondContact OG1-CD 3.43Å; T497-R504 PolarHBondContact OG1-NH1 3.26Å; S499-R504 PolarHBondContact O-NH1 3.5Å; D500-R504 PolarHBondContact O-N 3.25Å; D500-R504 VanDerWaalsContact O-N 3.07Å; R501-R504 PolarHBondContact O-N 3.48Å; F502-R504 VanDerWaalsContact C-N 3.26Å; F502-R504 PolarHBondContact O-N 2.96Å; R504-L506 PolarHBondContact O-N 3.41Å; R504-K507 WeakPolarHBondContact O-CB 3.44Å; R504-K507 PolarHBondContact O-N 2.88Å; R504-H508 PolarHBondContact O-CD2 3.37Å; R504-H508 PolarHBondContact O-N 3.29Å
505	I	97.8	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-45.3	178.9	-65.6	161.9	0	0	0	111	L485 M488 R501 F502 K507 H508 M509	L485-I505 HydrophobicContact CD2-CG2 3.8Å; M488-I505 HydrophobicContact CB-CG1 4.47Å; M488-I505 HydrophobicContact CB-CG2 3.68Å; M488-I505 HydrophobicContact CE-CG2 4.31Å; M488-I505 HydrophobicContact CG-CG2 4.44Å; M488-I505 HydrophobicContact SD-CG2 4.02Å; R501-I505 HydrophobicContact CG-CD1 3.9Å; R501-I505 WeakPolarHBondContact O-CG1 3.5Å; R501-I505 PolarHBondContact O-N 3.43Å; F502-I505 PolarHBondContact O-N 2.93Å; I505-K507 VanDerWaalsContact C-N 3.32Å; I505-K507 PolarHBondContact O-N 3.37Å; I505-H508 WeakPolarHBondContact O-CB 3.46Å; I505-H508 PolarHBondContact O-N 3.01Å; I505-H508 VanDerWaalsContact O-N 3.14Å; I505-M509 PolarHBondContact O-N 3.44Å
506	L	98.3	Very high	93.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-42	175.9	-71.1	164.5	0	0	0	111.5	L485 F502 R504 H508 M509 L510 L545 V547 F554 K556 V558 C563	L485-L506 HydrophobicContact CD2-CD2 3.8Å; L485-L506 HydrophobicContact CD2-CG 4.08Å; F502-L506 WeakPolarHBondContact O-CB 3.32Å; F502-L506 WeakPolarHBondContact O-CD1 3.15Å; F502-L506 WeakPolarHBondContact O-CG 3.39Å; F502-L506 PolarHBondContact O-N 2.9Å; R504-L506 PolarHBondContact O-N 3.41Å; L506-H508 VanDerWaalsContact C-N 3.3Å; L506-H508 PolarHBondContact O-N 3.49Å; L506-M509 HydrophobicContact CD2-SD 4.48Å; L506-M509 WeakPolarHBondContact O-CB 3.46Å; L506-M509 PolarHBondContact O-N 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.26Å; L506-L510 PolarHBondContact O-N 3.16Å; L506-L545 HydrophobicContact CD2-CD2 4.12Å; L506-V547 HydrophobicContact CD2-CG2 3.89Å; L506-F554 HydrophobicContact CD1-CE2 3.72Å; L506-F554 HydrophobicContact CD1-CZ 3.88Å; L506-K556 HydrophobicContact CD1-CD 4.31Å; L506-V558 HydrophobicContact CB-CB 4.36Å; L506-V558 HydrophobicContact CB-CG1 4.2Å; L506-V558 HydrophobicContact CB-CG2 4.04Å; L506-V558 HydrophobicContact CD1-CG2 3.9Å; L506-C563 HydrophobicContact CD1-CB 3.54Å; L506-C563 HydrophobicContact CD2-CB 3.7Å; L506-C563 HydrophobicContact CG-CB 4.17Å
507	K	97.8	Very high	94.6	Very high	82 Å²	82	27.7 Å²	27.7	36%	0.357	15%	0.151	S	C	.	.	H	α-helix	trans	-61.4	-39.3	174.9	-174.2	179.4	-178.2	179	0	111.5	E324 S503 R504 I505 L510 T511 V558	E324-K507 VanDerWaalsContact OE1-CE 3.23Å; E324-K507 WeakPolarHBondContact OE1-CE 3.33Å; E324-K507 IonicContact OE1-NZ 3.65Å; E324-K507 PolarHBondContact OE1-NZ 3.39Å; S503-K507 VanDerWaalsContact O-CB 3.26Å; S503-K507 WeakPolarHBondContact O-CB 3.46Å; S503-K507 PolarHBondContact O-N 3.33Å; R504-K507 WeakPolarHBondContact O-CB 3.44Å; R504-K507 PolarHBondContact O-N 2.88Å; I505-K507 VanDerWaalsContact C-N 3.32Å; I505-K507 PolarHBondContact O-N 3.37Å; K507-L510 PolarHBondContact O-N 3.42Å; K507-T511 HydrophobicContact CG-CG2 4.3Å; K507-T511 WeakPolarHBondContact O-CB 3.21Å; K507-T511 WeakPolarHBondContact O-CG2 3.18Å; K507-T511 PolarHBondContact O-N 3.4Å; K507-T511 PolarHBondContact O-OG1 2.97Å; K507-V558 HydrophobicContact CB-CG1 3.9Å
508	H	98.2	Very high	95.3	Very high	16 Å²	16	25.8 Å²	25.8	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-46.4	173.3	-73.1	-44.4	0	0	0	111.8	S298 F300 Q303 M488 R504 I505 L506 L510 T511 Q512	S298-H508 PolarHBondContact O-CE1 3.11Å; S298-H508 VanDerWaalsContact O-CE1 3.26Å; S298-H508 PolarHBondContact OG-NE2 3.26Å; F300-H508 HydrophobicContact CD1-CB 4.2Å; F300-H508 AromaticContact CD1-CD2 3.71Å; F300-H508 AromaticContact CD1-CG 3.81Å; F300-H508 HydrophobicContact CE1-CB 3.59Å; F300-H508 AromaticContact CE1-CD2 3.96Å; F300-H508 AromaticContact CE1-CG 3.55Å; F300-H508 AromaticContact CE1-ND1 3.87Å; F300-H508 HydrophobicContact CZ-CB 4.37Å; Q303-H508 PolarHBondContact NE2-CE1 3.03Å; M488-H508 HydrophobicContact CE-CB 3.6Å; R504-H508 PolarHBondContact O-CD2 3.37Å; R504-H508 PolarHBondContact O-N 3.29Å; I505-H508 WeakPolarHBondContact O-CB 3.46Å; I505-H508 PolarHBondContact O-N 3.01Å; I505-H508 VanDerWaalsContact O-N 3.14Å; L506-H508 VanDerWaalsContact C-N 3.3Å; L506-H508 PolarHBondContact O-N 3.49Å; H508-L510 VanDerWaalsContact C-N 3.35Å; H508-L510 PolarHBondContact O-N 2.99Å; H508-T511 PolarHBondContact O-N 3.09Å; H508-T511 PolarHBondContact O-OG1 3.29Å; H508-Q512 WeakPolarHBondContact O-CB 3.45Å; H508-Q512 WeakPolarHBondContact O-CG 3.47Å; H508-Q512 PolarHBondContact O-N 3.32Å
509	M	98.3	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.5	-48.5	176.7	-65	177.9	66.2	0	0	112	I484 L485 M488 I505 L506 T511 R513 S514 P517 M538 L545 V547	I484-M509 HydrophobicContact CG1-CE 4.3Å; I484-M509 HydrophobicContact CG1-SD 4.24Å; I484-M509 HydrophobicContact CG2-CE 3.51Å; I484-M509 HydrophobicContact CG2-SD 3.79Å; L485-M509 HydrophobicContact CD2-SD 4.3Å; M488-M509 HydrophobicContact SD-CG 4.01Å; I505-M509 PolarHBondContact O-N 3.44Å; L506-M509 HydrophobicContact CD2-SD 4.48Å; L506-M509 WeakPolarHBondContact O-CB 3.46Å; L506-M509 PolarHBondContact O-N 3.31Å; M509-T511 PolarHBondContact O-N 2.93Å; M509-R513 PolarHBondContact O-N 3.4Å; M509-R513 VanDerWaalsContact O-N 3.09Å; M509-S514 PolarHBondContact O-N 3.46Å; M509-P517 HydrophobicContact CG-CG 4.47Å; M509-M538 HydrophobicContact CB-CE 4.35Å; M509-M538 HydrophobicContact CE-CE 4.47Å; M509-L545 HydrophobicContact CE-CD2 4.3Å; M509-V547 HydrophobicContact CE-CG1 3.88Å; M509-V547 HydrophobicContact SD-CG1 4.41Å
510	L	98.4	Very high	96.9	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-64.8	-40	-179	-63.2	178.1	0	0	0	112.5	P327 L506 K507 H508 R513 M538 T541 P542 L545 V558 A559 C561	P327-L510 WeakPolarHBondContact CA-O 3.25Å; P327-L510 HydrophobicContact CB-CB 4.42Å; L506-L510 WeakPolarHBondContact O-CG 3.26Å; L506-L510 PolarHBondContact O-N 3.16Å; K507-L510 PolarHBondContact O-N 3.42Å; H508-L510 VanDerWaalsContact C-N 3.35Å; H508-L510 PolarHBondContact O-N 2.99Å; L510-R513 PolarHBondContact O-N 3.39Å; L510-M538 HydrophobicContact CD2-SD 4.24Å; L510-T541 HydrophobicContact CD2-CG2 4.2Å; L510-P542 HydrophobicContact CD2-CG 4.44Å; L510-L545 HydrophobicContact CD2-CD2 4.23Å; L510-V558 HydrophobicContact CD1-CB 4.49Å; L510-V558 HydrophobicContact CD1-CG1 4.31Å; L510-V558 WeakPolarHBondContact CD1-O 3.4Å; L510-A559 HydrophobicContact CD1-CB 4.5Å; L510-C561 HydrophobicContact CD1-CB 3.78Å; L510-C561 HydrophobicContact CD2-CB 4.35Å
511	T	97.9	Very high	97.2	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.055	11%	0.108	C	C	.	.	H	α-helix	trans	-82.5	-23.3	-177.7	54.2	0	0	0	0	113.8	P327 K507 H508 M509 R513	P327-T511 HydrophobicContact CB-CG2 4.38Å; K507-T511 HydrophobicContact CG-CG2 4.3Å; K507-T511 WeakPolarHBondContact O-CB 3.21Å; K507-T511 WeakPolarHBondContact O-CG2 3.18Å; K507-T511 PolarHBondContact O-N 3.4Å; K507-T511 PolarHBondContact O-OG1 2.97Å; H508-T511 PolarHBondContact O-N 3.09Å; H508-T511 PolarHBondContact O-OG1 3.29Å; M509-T511 PolarHBondContact O-N 2.93Å; T511-R513 VanDerWaalsContact C-N 3.28Å
512	Q	97.9	Very high	97.3	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.037	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.4	171.5	-63.2	-71.2	-60.4	0	0	112.3	M231 F300 V304 H508 S514 P517	M231-Q512 WeakPolarHBondContact CE-O 3.36Å; F300-Q512 HydrophobicContact CE1-CG 4.37Å; F300-Q512 HydrophobicContact CZ-CG 4.01Å; V304-Q512 PolarHBondContact O-NE2 3.23Å; H508-Q512 WeakPolarHBondContact O-CB 3.45Å; H508-Q512 WeakPolarHBondContact O-CG 3.47Å; H508-Q512 PolarHBondContact O-N 3.32Å; Q512-S514 PolarHBondContact O-N 3.17Å; Q512-S514 VanDerWaalsContact O-N 3.14Å; Q512-P517 HydrophobicContact CB-CB 3.64Å; Q512-P517 HydrophobicContact CB-CG 4.29Å; Q512-P517 HydrophobicContact CG-CB 4.13Å
513	R	97.4	Very high	97.2	Very high	31 Å²	31	28.3 Å²	28.3	12%	0.117	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	32.4	170.4	-50.4	177.1	-179.6	-165.5	-0.5	112.9	M231 D326 L328 M509 L510 T511 Q537 M538	M231-R513 HydrophobicContact CE-CB 4.28Å; M231-R513 HydrophobicContact CE-CG 4.04Å; D326-R513 PolarHBondContact O-NE 2.81Å; D326-R513 PolarHBondContact O-NH2 2.92Å; D326-R513 IonicContact OD2-NH2 3.17Å; D326-R513 PolarHBondContact OD2-NH2 2.78Å; L328-R513 HydrophobicContact CD1-CB 4.02Å; L328-R513 HydrophobicContact CD1-CG 4.04Å; L328-R513 HydrophobicContact CG-CB 4.4Å; L328-R513 HydrophobicContact CG-CG 3.87Å; M509-R513 PolarHBondContact O-N 3.4Å; M509-R513 VanDerWaalsContact O-N 3.09Å; L510-R513 PolarHBondContact O-N 3.39Å; T511-R513 VanDerWaalsContact C-N 3.28Å; R513-Q537 PolarHBondContact O-OE1 2.73Å; R513-M538 PolarHBondContact O-N 3.22Å
514	S	97.7	Very high	96.9	Very high	3 Å²	3	31 Å²	31	2%	0.021	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-143.5	141.4	-171.3	-173.9	0	0	0	0	110.8	M509 Q512 Y516 F532 Q537	M509-S514 PolarHBondContact O-N 3.46Å; Q512-S514 PolarHBondContact O-N 3.17Å; Q512-S514 VanDerWaalsContact O-N 3.14Å; S514-Y516 PolarHBondContact O-N 3.27Å; S514-Y516 PolarHBondContact OG-N 3.42Å; S514-F532 WeakPolarHBondContact OG-CZ 3.45Å; S514-Q537 PolarHBondContact OG-OE1 3.38Å
515	F	98.4	Very high	96.9	Very high	2 Å²	2	30 Å²	30	1%	0.009	15%	0.151	C	C	.	.	S	Bend	trans	-71.7	-18.3	174.8	-73.2	-78.7	0	0	0	112.8	Y441 P467 T480 G536 M538 L545	Y441-F515 WeakPolarHBondContact OH-CB 3.38Å; P467-F515 HydrophobicContact CB-CB 3.7Å; P467-F515 HydrophobicContact CB-CD1 3.89Å; P467-F515 HydrophobicContact CB-CD2 3.56Å; P467-F515 HydrophobicContact CB-CE1 4.4Å; P467-F515 HydrophobicContact CB-CE2 4.11Å; P467-F515 HydrophobicContact CB-CG 3.44Å; P467-F515 VanDerWaalsContact CB-CG 3.44Å; P467-F515 HydrophobicContact CB-CZ 4.49Å; P467-F515 HydrophobicContact CG-CB 3.79Å; P467-F515 HydrophobicContact CG-CD2 3.57Å; P467-F515 HydrophobicContact CG-CE2 4.33Å; P467-F515 HydrophobicContact CG-CG 3.79Å; T480-F515 HydrophobicContact CG2-CD1 4.23Å; F515-G536 PolarHBondContact N-O 2.93Å; F515-G536 VanDerWaalsContact N-O 3.08Å; F515-M538 HydrophobicContact CD1-CE 4.01Å; F515-M538 HydrophobicContact CD2-CG 4.16Å; F515-M538 HydrophobicContact CE1-CE 4.16Å; F515-M538 HydrophobicContact CE2-CG 3.95Å; F515-M538 HydrophobicContact CG-CE 4.39Å; F515-M538 HydrophobicContact CZ-CG 4.16Å; F515-L545 HydrophobicContact CD1-CD1 4.46Å; F515-L545 HydrophobicContact CE1-CD1 4.07Å
516	Y	98.4	Very high	96.8	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.016	17%	0.17	C	C	.	.			trans	-145.1	78.1	178.4	-157.4	-73.8	0	0	0	111.1	I484 H487 S514 L518 P521 A522 V525 M527 F532	I484-Y516 HydrophobicContact CB-CD2 4.14Å; I484-Y516 HydrophobicContact CB-CE2 4.36Å; I484-Y516 HydrophobicContact CD1-CD1 4.03Å; I484-Y516 HydrophobicContact CD1-CD2 3.65Å; I484-Y516 HydrophobicContact CD1-CE1 4.15Å; I484-Y516 HydrophobicContact CD1-CE2 3.78Å; I484-Y516 HydrophobicContact CD1-CG 3.79Å; I484-Y516 HydrophobicContact CG1-CD2 4.28Å; H487-Y516 AromaticContact ND1-CE2 3.5Å; H487-Y516 AromaticContact ND1-CZ 3.57Å; H487-Y516 PolarHBondContact ND1-OH 3.05Å; S514-Y516 PolarHBondContact O-N 3.27Å; S514-Y516 PolarHBondContact OG-N 3.42Å; Y516-L518 HydrophobicContact CD1-CB 4.33Å; Y516-L518 HydrophobicContact CE1-CB 3.91Å; Y516-L518 WeakPolarHBondContact CE1-O 3.39Å; Y516-P521 HydrophobicContact CD1-CB 4.43Å; Y516-P521 HydrophobicContact CE1-CB 3.53Å; Y516-A522 PolarHBondContact OH-N 3.07Å; Y516-A522 VanDerWaalsContact OH-N 3.16Å; Y516-V525 HydrophobicContact CE2-CG1 4.2Å; Y516-V525 HydrophobicContact CE2-CG2 4.02Å; Y516-V525 WeakPolarHBondContact OH-CG2 3.43Å; Y516-M527 HydrophobicContact CD1-CE 3.57Å; Y516-M527 HydrophobicContact CD2-CE 4.46Å; Y516-M527 HydrophobicContact CE1-CE 3.95Å; Y516-M527 HydrophobicContact CG-CE 3.86Å; Y516-F532 VanDerWaalsContact O-CZ 3.32Å; Y516-F532 WeakPolarHBondContact O-CZ 3.48Å
517	P	97.9	Very high	96.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.174	C	C	.	.			trans	-80.2	-15.8	-174.9	32.1	-37.1	0	0	0	114.3	K227 F300 M488 M509 Q512 Y519	K227-P517 PolarHBondContact NZ-O 3.28Å; F300-P517 HydrophobicContact CE2-CB 4.09Å; F300-P517 HydrophobicContact CE2-CG 4.2Å; F300-P517 HydrophobicContact CZ-CB 3.93Å; F300-P517 HydrophobicContact CZ-CG 4.02Å; M488-P517 HydrophobicContact CE-CG 3.91Å; M488-P517 HydrophobicContact SD-CG 3.63Å; M509-P517 HydrophobicContact CG-CG 4.47Å; Q512-P517 HydrophobicContact CB-CB 3.64Å; Q512-P517 HydrophobicContact CB-CG 4.29Å; Q512-P517 HydrophobicContact CG-CB 4.13Å; P517-Y519 PolarHBondContact O-N 3.47Å
518	L	98.2	Very high	96.6	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	16%	0.158	C	C	.	.			trans	-63.3	124.1	179.9	-179	69.8	0	0	0	110.7	F300 P301 I484 H487 M488 E491 Y516	F300-L518 HydrophobicContact CD2-CD1 4.08Å; P301-L518 HydrophobicContact CB-CD1 4.3Å; P301-L518 HydrophobicContact CG-CD1 4.5Å; I484-L518 HydrophobicContact CD1-CB 4.11Å; H487-L518 HydrophobicContact CB-CD2 3.65Å; M488-L518 HydrophobicContact CG-CB 3.96Å; E491-L518 HydrophobicContact CB-CD1 3.96Å; E491-L518 HydrophobicContact CG-CD1 4.14Å; Y516-L518 HydrophobicContact CD1-CB 4.33Å; Y516-L518 HydrophobicContact CE1-CB 3.91Å; Y516-L518 WeakPolarHBondContact CE1-O 3.39Å
519	Y	96.8	Very high	96.5	Very high	56 Å²	56	31.5 Å²	31.5	22%	0.22	16%	0.161	C	C	.	.	S	Bend	trans	-141.1	131.3	177.3	176.7	-96	0	0	0	111.4	L224 P301 G302 P517 Y529	L224-Y519 HydrophobicContact CD1-CE1 3.95Å; L224-Y519 HydrophobicContact CD1-CE2 3.79Å; L224-Y519 WeakPolarHBondContact CD1-OH 3.3Å; L224-Y519 HydrophobicContact CD2-CD1 4.28Å; L224-Y519 HydrophobicContact CD2-CD2 3.85Å; L224-Y519 HydrophobicContact CD2-CE1 4.23Å; L224-Y519 HydrophobicContact CD2-CE2 3.78Å; L224-Y519 HydrophobicContact CD2-CG 4.11Å; L224-Y519 HydrophobicContact CG-CE2 4.42Å; P301-Y519 CarbonylContact C-O 3.55Å; P301-Y519 VanDerWaalsContact CB-O 3.25Å; P301-Y519 WeakPolarHBondContact CB-O 3.25Å; P301-Y519 PolarHBondContact O-N 2.87Å; G302-Y519 PolarHBondContact N-O 2.88Å; G302-Y519 VanDerWaalsContact N-O 3.11Å; P517-Y519 PolarHBondContact O-N 3.47Å; Y519-Y529 AromaticContact CD2-CE1 3.86Å; Y519-Y529 HydrophobicContact CD2-CE1 3.86Å; Y519-Y529 AromaticContact CD2-CZ 3.96Å; Y519-Y529 WeakPolarHBondContact CD2-OH 3.23Å; Y519-Y529 AromaticContact CE2-CE1 3.93Å; Y519-Y529 HydrophobicContact CE2-CE1 3.93Å; Y519-Y529 AromaticContact CE2-CZ 3.73Å; Y519-Y529 VanDerWaalsContact CE2-OH 3.28Å; Y519-Y529 WeakPolarHBondContact CE2-OH 3.41Å
520	P	96.6	Very high	96.4	Very high	87 Å²	87	35.2 Å²	35.2	57%	0.565	18%	0.178	S	C	*	.	S	Bend	cis	-58.7	152.5	-8.6	-24	35.6	0	0	0	113
521	P	96.4	Very high	96.2	Very high	26 Å²	26	38.3 Å²	38.3	17%	0.169	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-68.1	155.6	177.1	30.5	-36.4	0	0	0	110.9	Y516 V525 M527 Y529	Y516-P521 HydrophobicContact CD1-CB 4.43Å; Y516-P521 HydrophobicContact CE1-CB 3.53Å; P521-V525 HydrophobicContact CB-CB 4.2Å; P521-V525 HydrophobicContact CB-CG1 4.33Å; P521-M527 HydrophobicContact CB-CE 3.99Å; P521-M527 HydrophobicContact CG-CE 4.43Å; P521-Y529 WeakPolarHBondContact CD-OH 3.37Å
522	A	94.8	Very high	96.1	Very high	22 Å²	22	38.7 Å²	38.7	18%	0.182	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-48	144.4	168.1	0	0	0	0	0	111.7	H487 Y516 E524 V525	H487-A522 HydrophobicContact CB-CB 4.08Å; Y516-A522 PolarHBondContact OH-N 3.07Å; Y516-A522 VanDerWaalsContact OH-N 3.16Å; A522-E524 PolarHBondContact O-N 2.85Å; A522-E524 VanDerWaalsContact O-N 3.08Å; A522-V525 HydrophobicContact CB-CG2 4.44Å; A522-V525 PolarHBondContact O-N 3.27Å
523	E	91.3	Very high	96	Very high	191 Å²	191	40.6 Å²	40.6	89%	0.893	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.9	-169.7	-170.4	179.2	-179.4	0	0	113.2	V525	E523-V525 VanDerWaalsContact C-N 3.29Å; E523-V525 PolarHBondContact O-N 3.24Å
524	E	91	Very high	95.8	Very high	75 Å²	75	44 Å²	44	35%	0.35	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.6	177.5	62.8	-104	-111.9	0	0	115.1	K119 H487 A522	K119-E524 IonicContact NZ-OE1 3.3Å; K119-E524 PolarHBondContact NZ-OE1 2.99Å; H487-E524 IonicContact NE2-OE1 3.92Å; A522-E524 PolarHBondContact O-N 2.85Å; A522-E524 VanDerWaalsContact O-N 3.08Å
525	V	95.4	Very high	95.7	Very high	8 Å²	8	45 Å²	45	5%	0.048	23%	0.225	C	C	.	.			trans	-95.4	104.7	-174.8	-179.9	0	0	0	0	110	H487 Y516 P521 A522 E523 M527	H487-V525 VanDerWaalsContact CE1-CG2 3.44Å; H487-V525 WeakPolarHBondContact CE1-CG2 3.32Å; Y516-V525 HydrophobicContact CE2-CG1 4.2Å; Y516-V525 HydrophobicContact CE2-CG2 4.02Å; Y516-V525 WeakPolarHBondContact OH-CG2 3.43Å; P521-V525 HydrophobicContact CB-CB 4.2Å; P521-V525 HydrophobicContact CB-CG1 4.33Å; A522-V525 HydrophobicContact CB-CG2 4.44Å; A522-V525 PolarHBondContact O-N 3.27Å; E523-V525 VanDerWaalsContact C-N 3.29Å; E523-V525 PolarHBondContact O-N 3.24Å; V525-M527 HydrophobicContact CG1-CE 3.8Å
526	N	95	Very high	95.5	Very high	76 Å²	76	44.9 Å²	44.9	41%	0.406	23%	0.225	S	C	.	.			trans	-80	120.4	170.9	-62.1	-73.5	0	0	0	109.5	Q432 F439 Y441	Q432-N526 PolarHBondContact NE2-O 2.67Å; Q432-N526 VanDerWaalsContact NE2-O 3.08Å; F439-N526 HydrophobicContact CD2-CB 4.18Å; F439-N526 WeakPolarHBondContact CD2-ND2 3.32Å; F439-N526 HydrophobicContact CE2-CB 4.22Å; Y441-N526 WeakPolarHBondContact CB-O 3.42Å; Y441-N526 PolarHBondContact N-O 3Å
527	M	95.3	Very high	95.3	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.079	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-122.3	134.9	-174.7	-164.1	165.7	-56.7	0	0	112.1	Q215 Y441 Y516 P521 V525 Y529 F532	Q215-M527 PolarHBondContact NE2-O 3.35Å; Y441-M527 HydrophobicContact CD1-CE 3.85Å; Y441-M527 HydrophobicContact CD1-CG 4.39Å; Y441-M527 HydrophobicContact CD1-SD 4.46Å; Y441-M527 HydrophobicContact CE1-CE 4.34Å; Y441-M527 WeakPolarHBondContact O-CA 3.22Å; Y516-M527 HydrophobicContact CD1-CE 3.57Å; Y516-M527 HydrophobicContact CD2-CE 4.46Å; Y516-M527 HydrophobicContact CE1-CE 3.95Å; Y516-M527 HydrophobicContact CG-CE 3.86Å; P521-M527 HydrophobicContact CB-CE 3.99Å; P521-M527 HydrophobicContact CG-CE 4.43Å; V525-M527 HydrophobicContact CG1-CE 3.8Å; M527-Y529 HydrophobicContact CG-CE1 4.48Å; M527-Y529 HydrophobicContact SD-CD1 4.31Å; M527-Y529 HydrophobicContact SD-CE1 3.97Å; M527-F532 HydrophobicContact CG-CB 4.15Å; M527-F532 HydrophobicContact CG-CG 4.3Å; M527-F532 HydrophobicContact SD-CB 4.27Å; M527-F532 HydrophobicContact SD-CD1 3.86Å; M527-F532 HydrophobicContact SD-CD2 4.18Å; M527-F532 HydrophobicContact SD-CE1 4.23Å; M527-F532 HydrophobicContact SD-CG 3.82Å
528	D	97.1	Very high	95.3	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.032	24%	0.238	C	C	.	.			trans	-98.4	107.9	164.7	-172.5	-56.8	0	0	0	108.5	Y210 I440 Y441 E530 K531 F532	Y210-D528 HydrophobicContact CE2-CB 4.16Å; I440-D528 HydrophobicContact CG2-CB 3.81Å; Y441-D528 PolarHBondContact O-N 2.68Å; D528-E530 PolarHBondContact OD1-N 3Å; D528-K531 HydrophobicContact CB-CB 4.2Å; D528-K531 HydrophobicContact CB-CG 4.36Å; D528-K531 PolarHBondContact O-N 3.41Å; D528-K531 WeakPolarHBondContact OD1-CG 3.39Å; D528-K531 PolarHBondContact OD1-N 2.77Å; D528-F532 WeakPolarHBondContact O-CB 3.37Å; D528-F532 PolarHBondContact O-N 3.07Å
529	Y	96.8	Very high	95	Very high	32 Å²	32	51.2 Å²	51.2	13%	0.125	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-36.2	-171.6	-73.1	-79	0	0	0	112.9	V220 Y519 P521 M527 K531 F532 Q533	V220-Y529 HydrophobicContact CB-CD2 4.41Å; V220-Y529 HydrophobicContact CG1-CD2 3.61Å; V220-Y529 HydrophobicContact CG1-CE2 4.05Å; V220-Y529 HydrophobicContact CG1-CG 3.95Å; V220-Y529 HydrophobicContact CG2-CD2 3.97Å; Y519-Y529 AromaticContact CD2-CE1 3.86Å; Y519-Y529 HydrophobicContact CD2-CE1 3.86Å; Y519-Y529 AromaticContact CD2-CZ 3.96Å; Y519-Y529 WeakPolarHBondContact CD2-OH 3.23Å; Y519-Y529 AromaticContact CE2-CE1 3.93Å; Y519-Y529 HydrophobicContact CE2-CE1 3.93Å; Y519-Y529 AromaticContact CE2-CZ 3.73Å; Y519-Y529 VanDerWaalsContact CE2-OH 3.28Å; Y519-Y529 WeakPolarHBondContact CE2-OH 3.41Å; P521-Y529 WeakPolarHBondContact CD-OH 3.37Å; M527-Y529 HydrophobicContact CG-CE1 4.48Å; M527-Y529 HydrophobicContact SD-CD1 4.31Å; M527-Y529 HydrophobicContact SD-CE1 3.97Å; Y529-K531 VanDerWaalsContact C-N 3.33Å; Y529-K531 PolarHBondContact O-N 3.21Å; Y529-F532 PolarHBondContact O-N 2.87Å; Y529-Q533 WeakPolarHBondContact O-CB 3.34Å; Y529-Q533 PolarHBondContact O-N 3.01Å
530	E	95.1	Very high	95	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-42	177.9	-66.3	179.7	77.3	0	0	110.3	D219 V223 D528 I534	D219-E530 HydrophobicContact CB-CG 4.19Å; V223-E530 HydrophobicContact CG2-CG 4.39Å; D528-E530 PolarHBondContact OD1-N 3Å; E530-I534 WeakPolarHBondContact O-CG1 3.48Å
531	K	95.6	Very high	95	Very high	66 Å²	66	45.5 Å²	45.5	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-73.7	-36.2	174.9	-60.9	-51.2	-177.6	-173.8	0	112.9	Y210 P442 D528 Y529 Q533 I534 H535	Y210-K531 HydrophobicContact CD1-CG 4.42Å; Y210-K531 HydrophobicContact CD2-CD 4.31Å; Y210-K531 HydrophobicContact CD2-CG 3.67Å; Y210-K531 HydrophobicContact CE1-CB 4.4Å; Y210-K531 HydrophobicContact CE1-CG 4.22Å; Y210-K531 HydrophobicContact CE2-CB 4.12Å; Y210-K531 HydrophobicContact CE2-CG 3.46Å; Y210-K531 VanDerWaalsContact CE2-CG 3.46Å; Y210-K531 HydrophobicContact CG-CD 4.43Å; Y210-K531 HydrophobicContact CG-CG 4.14Å; P442-K531 HydrophobicContact CG-CB 3.95Å; D528-K531 HydrophobicContact CB-CB 4.2Å; D528-K531 HydrophobicContact CB-CG 4.36Å; D528-K531 PolarHBondContact O-N 3.41Å; D528-K531 WeakPolarHBondContact OD1-CG 3.39Å; D528-K531 PolarHBondContact OD1-N 2.77Å; Y529-K531 VanDerWaalsContact C-N 3.33Å; Y529-K531 PolarHBondContact O-N 3.21Å; K531-Q533 VanDerWaalsContact C-N 3.32Å; K531-Q533 PolarHBondContact O-N 3.08Å; K531-I534 PolarHBondContact O-N 3.28Å; K531-H535 PolarHBondContact O-CD2 3.16Å; K531-H535 PolarHBondContact O-N 3.42Å
532	F	95.6	Very high	95.1	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.075	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-34.8	177.4	-179.8	-109.3	0	0	0	112.6	Y441 S514 Y516 M527 D528 Y529 I534 G536 Q537	Y441-F532 AromaticContact CD1-CD2 3.82Å; Y441-F532 HydrophobicContact CD1-CD2 3.82Å; Y441-F532 HydrophobicContact CD1-CE2 4.16Å; Y441-F532 AromaticContact CE1-CD2 3.5Å; Y441-F532 HydrophobicContact CE1-CD2 3.5Å; Y441-F532 VanDerWaalsContact CE1-CD2 3.5Å; Y441-F532 AromaticContact CE1-CE2 3.41Å; Y441-F532 HydrophobicContact CE1-CE2 3.41Å; Y441-F532 VanDerWaalsContact CE1-CE2 3.41Å; S514-F532 WeakPolarHBondContact OG-CZ 3.45Å; Y516-F532 VanDerWaalsContact O-CZ 3.32Å; Y516-F532 WeakPolarHBondContact O-CZ 3.48Å; M527-F532 HydrophobicContact CG-CB 4.15Å; M527-F532 HydrophobicContact CG-CG 4.3Å; M527-F532 HydrophobicContact SD-CB 4.27Å; M527-F532 HydrophobicContact SD-CD1 3.86Å; M527-F532 HydrophobicContact SD-CD2 4.18Å; M527-F532 HydrophobicContact SD-CE1 4.23Å; M527-F532 HydrophobicContact SD-CG 3.82Å; D528-F532 WeakPolarHBondContact O-CB 3.37Å; D528-F532 PolarHBondContact O-N 3.07Å; Y529-F532 PolarHBondContact O-N 2.87Å; F532-I534 PolarHBondContact O-N 3.39Å; F532-G536 WeakPolarHBondContact O-CA 3.48Å; F532-G536 PolarHBondContact O-N 2.88Å; F532-Q537 PolarHBondContact O-NE2 3.32Å; F532-Q537 VanDerWaalsContact O-NE2 3.1Å
533	Q	94.6	Very high	95.2	Very high	49 Å²	49	43.9 Å²	43.9	23%	0.229	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-35.8	174.3	-169.6	178.2	-5.2	0	0	112	V223 E226 Y529 K531 Q537	V223-Q533 HydrophobicContact CG1-CB 3.86Å; V223-Q533 HydrophobicContact CG1-CG 4.21Å; V223-Q533 HydrophobicContact CG2-CB 4.47Å; E226-Q533 PolarHBondContact OE2-NE2 3.31Å; Y529-Q533 WeakPolarHBondContact O-CB 3.34Å; Y529-Q533 PolarHBondContact O-N 3.01Å; K531-Q533 VanDerWaalsContact C-N 3.32Å; K531-Q533 PolarHBondContact O-N 3.08Å; Q533-Q537 VanDerWaalsContact O-CG 3.29Å; Q533-Q537 WeakPolarHBondContact O-CG 3.47Å
534	I	93.2	Very high	95.5	Very high	103 Å²	103	34.8 Å²	34.8	53%	0.528	17%	0.17	S	C	.	.	H	α-helix	trans	-85.7	-45.3	-176.6	-55.7	168.7	0	0	0	111.2	E530 K531 F532	E530-I534 WeakPolarHBondContact O-CG1 3.48Å; K531-I534 PolarHBondContact O-N 3.28Å; F532-I534 PolarHBondContact O-N 3.39Å
535	H	95.3	Very high	95.9	Very high	23 Å²	23	31.2 Å²	31.2	11%	0.106	15%	0.153	C	C	.	.	H	α-helix	trans	-111.9	-2.6	-168.3	-51.4	-63.2	0	0	0	114.3	E204 L206 P442 K531	E204-H535 PolarHBondContact O-CE1 2.84Å; E204-H535 PolarHBondContact O-ND1 3.37Å; L206-H535 HydrophobicContact CB-CB 4.35Å; P442-H535 HydrophobicContact CB-CB 4.34Å; P442-H535 HydrophobicContact CG-CB 4.04Å; K531-H535 PolarHBondContact O-CD2 3.16Å; K531-H535 PolarHBondContact O-N 3.42Å
536	G	95	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-103.5	-1	-175.6	0	0	0	0	0	115.4	F515 F532	F515-G536 PolarHBondContact N-O 2.93Å; F515-G536 VanDerWaalsContact N-O 3.08Å; F532-G536 WeakPolarHBondContact O-CA 3.48Å; F532-G536 PolarHBondContact O-N 2.88Å
537	Q	95.4	Very high	96.2	Very high	57 Å²	57	27.3 Å²	27.3	27%	0.266	13%	0.132	S	C	.	.	B	Isolated β-bridge	trans	-93.6	155	-178.1	-49.2	-49.5	-46.9	0	0	111.4	R513 S514 F532 Q533	R513-Q537 PolarHBondContact O-OE1 2.73Å; S514-Q537 PolarHBondContact OG-OE1 3.38Å; F532-Q537 PolarHBondContact O-NE2 3.32Å; F532-Q537 VanDerWaalsContact O-NE2 3.1Å; Q533-Q537 VanDerWaalsContact O-CG 3.29Å; Q533-Q537 WeakPolarHBondContact O-CG 3.47Å
538	M	95.9	Very high	96.4	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.044	13%	0.129	C	C	.	.			trans	-84.9	132.4	172.3	-63.7	-177.3	-179.7	0	0	109.3	L328 M509 L510 R513 F515 L545	L328-M538 HydrophobicContact CD1-CB 4.36Å; L328-M538 WeakPolarHBondContact CD1-O 3.38Å; M509-M538 HydrophobicContact CB-CE 4.35Å; M509-M538 HydrophobicContact CE-CE 4.47Å; L510-M538 HydrophobicContact CD2-SD 4.24Å; R513-M538 PolarHBondContact O-N 3.22Å; F515-M538 HydrophobicContact CD1-CE 4.01Å; F515-M538 HydrophobicContact CD2-CG 4.16Å; F515-M538 HydrophobicContact CE1-CE 4.16Å; F515-M538 HydrophobicContact CE2-CG 3.95Å; F515-M538 HydrophobicContact CG-CE 4.39Å; F515-M538 HydrophobicContact CZ-CG 4.16Å; M538-L545 HydrophobicContact CE-CD1 4.29Å
539	L	93.2	Very high	96.4	Very high	79 Å²	79	26.3 Å²	26.3	41%	0.414	13%	0.127	S	C	.	.	S	Bend	trans	-82.8	-29.7	177.5	-54.2	174.1	0	0	0	112.5	L199 E200	L199-L539 HydrophobicContact CB-CD1 4.32Å; L199-L539 HydrophobicContact CD2-CB 4.31Å; L199-L539 HydrophobicContact CD2-CD1 4.11Å; L199-L539 HydrophobicContact CG-CD1 4.16Å; E200-L539 HydrophobicContact CB-CD1 4.47Å; E200-L539 HydrophobicContact CG-CD1 3.7Å
540	V	95.9	Very high	96.1	Very high	20 Å²	20	25.4 Å²	25.4	12%	0.121	12%	0.124	C	C	.	.	S	Bend	trans	-145.6	164.8	-178.7	-65.9	0	0	0	0	107.9	L199 P329 H331 T476 P542	L199-V540 HydrophobicContact CD2-CG1 4.44Å; L199-V540 HydrophobicContact CD2-CG2 3.8Å; P329-V540 WeakPolarHBondContact O-CB 3.36Å; H331-V540 HydrophobicContact CB-CG1 4.29Å; H331-V540 HydrophobicContact CB-CG2 4.27Å; T476-V540 HydrophobicContact CG2-CG2 4.33Å; V540-P542 VanDerWaalsContact O-CD 3.3Å; V540-P542 WeakPolarHBondContact O-CD 3.31Å
541	T	97.6	Very high	96	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.018	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-70.1	118.3	160.1	-66.9	0	0	0	0	107.5	L328 P329 F330 L510 C561	L328-T541 PolarHBondContact N-OG1 3.16Å; L328-T541 VanDerWaalsContact O-CB 3.26Å; L328-T541 WeakPolarHBondContact O-CB 3.46Å; L328-T541 PolarHBondContact O-OG1 3.47Å; P329-T541 PolarHBondContact O-N 3.21Å; F330-T541 HydrophobicContact CD1-CG2 3.93Å; F330-T541 WeakPolarHBondContact CD1-O 3.43Å; F330-T541 HydrophobicContact CE1-CG2 3.33Å; F330-T541 HydrophobicContact CE2-CG2 4.17Å; F330-T541 HydrophobicContact CZ-CG2 3.47Å; F330-T541 VanDerWaalsContact CZ-CG2 3.47Å; L510-T541 HydrophobicContact CD2-CG2 4.2Å; T541-C561 HydrophobicContact CG2-CB 4.13Å
542	P	97.5	Very high	95.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.013	12%	0.117	C	C	.	.			trans	-69.1	149.6	-179.3	29.5	-34.8	0	0	0	110.1	T476 L510 V540 I544 L545 C561	T476-P542 WeakPolarHBondContact OG1-CA 3.49Å; L510-P542 HydrophobicContact CD2-CG 4.44Å; V540-P542 VanDerWaalsContact O-CD 3.3Å; V540-P542 WeakPolarHBondContact O-CD 3.31Å; P542-I544 VanDerWaalsContact C-N 3.28Å; P542-L545 HydrophobicContact CG-CB 4.15Å; P542-L545 HydrophobicContact CG-CD1 4.43Å; P542-C561 WeakPolarHBondContact O-CB 3.46Å; P542-C561 PolarHBondContact O-SG 3.17Å
543	D	97.4	Very high	95.9	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.064	12%	0.122	C	C	.	.	S	Bend	trans	-66.1	-38.1	172.3	-61.2	-61.8	0	0	0	111	V475 T476 V562 R594 P597	V475-D543 HydrophobicContact CG1-CB 3.88Å; T476-D543 PolarHBondContact N-OD2 3.31Å; T476-D543 WeakPolarHBondContact O-CB 3.41Å; T476-D543 PolarHBondContact O-N 3.49Å; T476-D543 VanDerWaalsContact O-N 3.08Å; T476-D543 VanDerWaalsContact OG1-CG 3.31Å; T476-D543 PolarHBondContact OG1-N 3.23Å; T476-D543 PolarHBondContact OG1-OD2 2.87Å; D543-V562 PolarHBondContact O-N 2.86Å; D543-R594 IonicContact OD1-CZ 2.88Å; D543-R594 IonicContact OD1-NE 3.71Å; D543-R594 IonicContact OD1-NH2 2.63Å; D543-R594 PolarHBondContact OD1-NH2 3.32Å; D543-P597 HydrophobicContact CB-CG 3.53Å
544	I	98.6	Very high	96.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.4	178.1	-61.5	161	0	0	0	109	V475 T476 F477 G478 P542 V546 V562 V564 L581 I583 C598	V475-I544 HydrophobicContact CG1-CD1 4.06Å; T476-I544 PolarHBondContact O-N 3.48Å; F477-I544 CarbonylContact C-O 3.49Å; F477-I544 VanDerWaalsContact CA-O 3.27Å; F477-I544 WeakPolarHBondContact CA-O 3.39Å; F477-I544 HydrophobicContact CD1-CB 3.91Å; F477-I544 HydrophobicContact CD1-CD1 4.39Å; F477-I544 HydrophobicContact CD1-CG2 3.83Å; F477-I544 HydrophobicContact CE1-CB 3.91Å; F477-I544 HydrophobicContact CE1-CD1 3.62Å; F477-I544 HydrophobicContact CE1-CG1 4.37Å; F477-I544 HydrophobicContact CE1-CG2 3.72Å; F477-I544 HydrophobicContact CE2-CD1 3.92Å; F477-I544 HydrophobicContact CG-CB 4.4Å; F477-I544 HydrophobicContact CZ-CB 4.38Å; F477-I544 HydrophobicContact CZ-CD1 3.34Å; F477-I544 HydrophobicContact CZ-CG1 4.44Å; G478-I544 PolarHBondContact N-O 3.16Å; P542-I544 VanDerWaalsContact C-N 3.28Å; I544-V546 HydrophobicContact CG2-CG2 4.14Å; I544-V562 CarbonylContact C-O 3.55Å; I544-V562 VanDerWaalsContact CA-O 3.26Å; I544-V562 WeakPolarHBondContact CA-O 3.49Å; I544-V562 HydrophobicContact CG1-CB 4.3Å; I544-V564 HydrophobicContact CG2-CG2 4.39Å; I544-L581 HydrophobicContact CD1-CD2 4.1Å; I544-L581 HydrophobicContact CG2-CD2 3.9Å; I544-I583 HydrophobicContact CD1-CG2 3.49Å; I544-I583 VanDerWaalsContact CD1-CG2 3.49Å; I544-C598 HydrophobicContact CD1-CB 3.97Å; I544-C598 HydrophobicContact CG1-CB 4.06Å
545	L	98.8	Very high	96.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.8	175	177.5	62.9	0	0	0	109.3	L506 M509 L510 F515 M538 P542 V547 C561 V562 C563 V564	L506-L545 HydrophobicContact CD2-CD2 4.12Å; M509-L545 HydrophobicContact CE-CD2 4.3Å; L510-L545 HydrophobicContact CD2-CD2 4.23Å; F515-L545 HydrophobicContact CD1-CD1 4.46Å; F515-L545 HydrophobicContact CE1-CD1 4.07Å; M538-L545 HydrophobicContact CE-CD1 4.29Å; P542-L545 HydrophobicContact CG-CB 4.15Å; P542-L545 HydrophobicContact CG-CD1 4.43Å; L545-V547 HydrophobicContact CD1-CG1 4.02Å; L545-V547 HydrophobicContact CD2-CG1 4.18Å; L545-V547 HydrophobicContact CG-CG1 3.84Å; L545-V547 HydrophobicContact CG-CG2 4.48Å; L545-C561 VanDerWaalsContact CB-SG 3.53Å; L545-V562 PolarHBondContact N-O 3.07Å; L545-C563 CarbonylContact O-C 3.52Å; L545-C563 WeakPolarHBondContact O-CA 3.26Å; L545-V564 PolarHBondContact O-N 3.04Å
546	V	98.8	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.4	177.4	-175.3	0	0	0	0	109.1	V350 F384 F477 G478 L479 T480 I544 P548 V564	V350-V546 HydrophobicContact CG1-CG1 3.61Å; F384-V546 HydrophobicContact CE2-CB 4.42Å; F384-V546 HydrophobicContact CE2-CG1 3.63Å; F384-V546 HydrophobicContact CZ-CB 3.96Å; F384-V546 HydrophobicContact CZ-CG1 3.54Å; F477-V546 HydrophobicContact CD1-CG2 4.32Å; G478-V546 PolarHBondContact O-N 3.11Å; L479-V546 HydrophobicContact CD2-CB 3.83Å; L479-V546 HydrophobicContact CD2-CG2 3.84Å; T480-V546 PolarHBondContact N-O 2.94Å; I544-V546 HydrophobicContact CG2-CG2 4.14Å; V546-P548 HydrophobicContact CG1-CG 4.26Å; V546-V564 WeakPolarHBondContact CA-O 3.3Å
547	V	98.3	Very high	96.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.12	C	C	.	.			trans	-132.8	78.8	-174.5	-80	0	0	0	0	109.4	T480 I484 L485 L506 M509 L545 S549 V564	T480-V547 HydrophobicContact CG2-CG1 3.72Å; I484-V547 HydrophobicContact CG2-CG1 4.42Å; L485-V547 HydrophobicContact CD1-CB 4.02Å; L485-V547 HydrophobicContact CD1-CG2 3.69Å; L485-V547 HydrophobicContact CG-CB 4.23Å; L485-V547 HydrophobicContact CG-CG2 4.21Å; L506-V547 HydrophobicContact CD2-CG2 3.89Å; M509-V547 HydrophobicContact CE-CG1 3.88Å; M509-V547 HydrophobicContact SD-CG1 4.41Å; L545-V547 HydrophobicContact CD1-CG1 4.02Å; L545-V547 HydrophobicContact CD2-CG1 4.18Å; L545-V547 HydrophobicContact CG-CG1 3.84Å; L545-V547 HydrophobicContact CG-CG2 4.48Å; V547-S549 PolarHBondContact O-N 3.4Å; V547-V564 PolarHBondContact N-O 3.4Å
548	P	98.3	Very high	96.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	11%	0.11	C	C	.	.			trans	-62.1	134.4	178.5	-18.2	33.3	0	0	0	111.3	C352 F384 T480 V546 P566	C352-P548 HydrophobicContact CB-CB 3.58Å; C352-P548 HydrophobicContact CB-CG 3.87Å; C352-P548 WeakPolarHBondContact SG-CB 3.07Å; F384-P548 HydrophobicContact CD1-CG 4.05Å; F384-P548 HydrophobicContact CD2-CG 4.24Å; F384-P548 HydrophobicContact CE1-CG 4.26Å; F384-P548 HydrophobicContact CE2-CG 4.47Å; F384-P548 HydrophobicContact CG-CG 4.02Å; F384-P548 HydrophobicContact CZ-CG 4.45Å; T480-P548 WeakPolarHBondContact O-CD 3.25Å; V546-P548 HydrophobicContact CG1-CG 4.26Å; P548-P566 HydrophobicContact CB-CG 4.25Å; P548-P566 HydrophobicContact CG-CG 4.2Å
549	S	97.3	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-141.3	153.1	-177.7	-179.2	0	0	0	0	111.6	D483 V547 L551 N565	D483-S549 WeakPolarHBondContact OD1-CA 3.46Å; D483-S549 WeakPolarHBondContact OD1-CB 3.23Å; D483-S549 PolarHBondContact OD1-OG 3.22Å; D483-S549 WeakPolarHBondContact OD2-CA 3.38Å; D483-S549 PolarHBondContact OD2-OG 2.82Å; V547-S549 PolarHBondContact O-N 3.4Å; S549-L551 PolarHBondContact O-N 2.93Å; S549-L551 WeakPolarHBondContact OG-CB 3.29Å; S549-L551 VanDerWaalsContact OG-CG 3.29Å; S549-L551 WeakPolarHBondContact OG-CG 3.41Å; S549-L551 PolarHBondContact OG-N 2.96Å; S549-L551 VanDerWaalsContact OG-N 3.09Å; S549-N565 PolarHBondContact N-OD1 2.63Å
550	E	91.6	Very high	96.4	Very high	13 Å²	13	23 Å²	23	6%	0.061	12%	0.122	C	C	.	.	S	Bend	trans	-61.7	-24.4	165.7	-67.6	-70.7	-173	0	0	112	Y114 T116 R433 D483 R568 K571	Y114-E550 VanDerWaalsContact O-O 3.09Å; T116-E550 WeakPolarHBondContact CG2-OE1 3.44Å; T116-E550 VanDerWaalsContact CG2-OE2 3.26Å; T116-E550 WeakPolarHBondContact CG2-OE2 3.47Å; T116-E550 PolarHBondContact OG1-OE1 2.94Å; R433-E550 IonicContact NH1-OE1 3.75Å; D483-E550 PolarHBondContact OD2-N 2.71Å; E550-R568 IonicContact OE1-NE 3.33Å; E550-R568 WeakPolarHBondContact OE2-CG 3.5Å; E550-K571 PolarHBondContact O-NZ 3.26Å
551	L	92.7	Very high	96.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-57.1	167.3	173.7	-63.6	173.6	0	0	0	112.7	L111 L485 F486 F502 S549 Y553 N565	L111-L551 HydrophobicContact CD2-CD2 3.64Å; L485-L551 HydrophobicContact CB-CD1 3.98Å; F486-L551 HydrophobicContact CB-CD1 4.44Å; F486-L551 HydrophobicContact CB-CG 4.42Å; F486-L551 HydrophobicContact CD2-CD2 3.91Å; F486-L551 HydrophobicContact CD2-CG 4.19Å; F502-L551 HydrophobicContact CD1-CD1 4.41Å; F502-L551 HydrophobicContact CE1-CD1 3.7Å; F502-L551 HydrophobicContact CZ-CB 4.23Å; F502-L551 HydrophobicContact CZ-CD1 4.09Å; F502-L551 HydrophobicContact CZ-CD2 4.47Å; S549-L551 PolarHBondContact O-N 2.93Å; S549-L551 WeakPolarHBondContact OG-CB 3.29Å; S549-L551 VanDerWaalsContact OG-CG 3.29Å; S549-L551 WeakPolarHBondContact OG-CG 3.41Å; S549-L551 PolarHBondContact OG-N 2.96Å; S549-L551 VanDerWaalsContact OG-N 3.09Å; L551-Y553 PolarHBondContact O-N 3.32Å; L551-N565 PolarHBondContact O-ND2 3.31Å
552	R	92.4	Very high	96.5	Very high	132 Å²	132	22 Å²	22	50%	0.498	12%	0.115	S	C	.	.	P	Polyproline II helix	trans	-56.2	131.9	175.6	-166.5	173	178	177.7	-1.9	110.2	Y114 F554 N565	Y114-R552 HydrophobicContact CD1-CB 4.15Å; Y114-R552 HydrophobicContact CE1-CB 3.63Å; Y114-R552 HydrophobicContact CE1-CG 4.24Å; R552-F554 WeakPolarHBondContact O-CD1 3.35Å; R552-N565 PolarHBondContact O-ND2 3.4Å; R552-N565 VanDerWaalsContact O-ND2 3.08Å
553	Y	96.8	Very high	96.6	Very high	48 Å²	48	21.9 Å²	21.9	19%	0.188	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-55.4	148.7	173.8	46.8	-104.8	0	0	0	111.5	V173 V174 L551 N565 T577 V603	V173-Y553 HydrophobicContact CB-CD2 4.32Å; V173-Y553 HydrophobicContact CB-CE1 4.41Å; V173-Y553 HydrophobicContact CB-CE2 3.47Å; V173-Y553 VanDerWaalsContact CB-CE2 3.47Å; V173-Y553 WeakPolarHBondContact CB-OH 3.46Å; V173-Y553 HydrophobicContact CG1-CE2 4.48Å; V173-Y553 HydrophobicContact CG2-CD1 4.28Å; V173-Y553 HydrophobicContact CG2-CD2 3.67Å; V173-Y553 HydrophobicContact CG2-CE1 3.93Å; V173-Y553 HydrophobicContact CG2-CE2 3.29Å; V173-Y553 HydrophobicContact CG2-CG 4.18Å; V173-Y553 VanDerWaalsContact CG2-CZ 3.43Å; V174-Y553 HydrophobicContact CB-CD2 4.45Å; V174-Y553 HydrophobicContact CG2-CD2 3.44Å; V174-Y553 VanDerWaalsContact CG2-CD2 3.44Å; V174-Y553 HydrophobicContact CG2-CE2 3.7Å; L551-Y553 PolarHBondContact O-N 3.32Å; Y553-N565 VanDerWaalsContact CA-O 3.26Å; Y553-N565 WeakPolarHBondContact CA-O 3.29Å; Y553-N565 WeakPolarHBondContact CB-O 3.2Å; Y553-T577 HydrophobicContact CD1-CG2 3.82Å; Y553-T577 HydrophobicContact CE1-CG2 3.94Å; Y553-V603 HydrophobicContact CD1-CG1 4.46Å; Y553-V603 HydrophobicContact CD2-CB 4.44Å; Y553-V603 HydrophobicContact CD2-CG1 4.21Å; Y553-V603 HydrophobicContact CG-CG1 3.89Å
554	F	98.1	Very high	96.6	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.057	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.5	177.1	63.1	-104.5	0	0	0	111.9	L485 F502 L506 R552 K556 C563 N565	L485-F554 HydrophobicContact CD1-CE1 3.78Å; L485-F554 HydrophobicContact CD1-CZ 3.58Å; F502-F554 HydrophobicContact CB-CE1 4.22Å; F502-F554 AromaticContact CD2-CD1 3.69Å; F502-F554 HydrophobicContact CD2-CD1 3.69Å; F502-F554 AromaticContact CD2-CE1 3.83Å; F502-F554 HydrophobicContact CD2-CE1 3.83Å; F502-F554 HydrophobicContact CE2-CD1 4.19Å; F502-F554 HydrophobicContact CE2-CE1 4.45Å; F502-F554 HydrophobicContact CG-CD1 4.42Å; F502-F554 HydrophobicContact CG-CE1 4.12Å; L506-F554 HydrophobicContact CD1-CE2 3.72Å; L506-F554 HydrophobicContact CD1-CZ 3.88Å; R552-F554 WeakPolarHBondContact O-CD1 3.35Å; F554-K556 HydrophobicContact CD2-CB 4.28Å; F554-K556 HydrophobicContact CD2-CD 3.77Å; F554-K556 HydrophobicContact CD2-CG 3.85Å; F554-K556 HydrophobicContact CE2-CD 4.15Å; F554-K556 HydrophobicContact CE2-CG 4.5Å; F554-K556 HydrophobicContact CG-CD 4.16Å; F554-K556 HydrophobicContact CG-CG 4.41Å; F554-C563 HydrophobicContact CE2-CB 4.35Å; F554-N565 HydrophobicContact CD1-CB 3.77Å; F554-N565 HydrophobicContact CD2-CB 4.34Å; F554-N565 HydrophobicContact CE1-CB 3.54Å; F554-N565 HydrophobicContact CE2-CB 4.11Å; F554-N565 HydrophobicContact CG-CB 4.16Å; F554-N565 HydrophobicContact CZ-CB 3.72Å; F554-N565 PolarHBondContact N-O 3.13Å; F554-N565 PolarHBondContact O-N 2.98Å
555	V	98.2	Very high	96.6	Very high	16 Å²	16	21.4 Å²	21.4	10%	0.097	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.3	161.9	-178	0	0	0	0	107.4	V174 F176 V562 C563 V564 A601 V603	V174-V555 HydrophobicContact CG1-CB 4.16Å; V174-V555 HydrophobicContact CG1-CG2 4.01Å; F176-V555 HydrophobicContact CB-CB 3.78Å; F176-V555 HydrophobicContact CB-CG1 3.46Å; F176-V555 VanDerWaalsContact CB-CG1 3.46Å; F176-V555 HydrophobicContact CD1-CG1 3.94Å; F176-V555 HydrophobicContact CD2-CG1 3.85Å; F176-V555 HydrophobicContact CG-CB 4.26Å; F176-V555 HydrophobicContact CG-CG1 3.47Å; F176-V555 VanDerWaalsContact CG-CG1 3.47Å; V555-V562 HydrophobicContact CG1-CG1 3.75Å; V555-C563 WeakPolarHBondContact CA-O 3.35Å; V555-V564 HydrophobicContact CG1-CG2 4.15Å; V555-V564 HydrophobicContact CG2-CG1 4.28Å; V555-V564 HydrophobicContact CG2-CG2 4.32Å; V555-A601 HydrophobicContact CG1-CB 4.09Å; V555-A601 HydrophobicContact CG2-CB 4.13Å; V555-V603 HydrophobicContact CG2-CG2 4.2Å
556	K	96.6	Very high	96.6	Very high	46 Å²	46	21.4 Å²	21.4	20%	0.2	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.5	-175.3	-70.8	171.4	174.4	-80.9	0	110.3	D500 F502 L506 F554 V558 V562 C563	D500-K556 WeakPolarHBondContact OD1-CE 3.25Å; D500-K556 IonicContact OD1-NZ 3.91Å; D500-K556 PolarHBondContact OD1-NZ 2.94Å; D500-K556 IonicContact OD2-NZ 2.74Å; D500-K556 PolarHBondContact OD2-NZ 3.41Å; F502-K556 HydrophobicContact CB-CD 4.3Å; L506-K556 HydrophobicContact CD1-CD 4.31Å; F554-K556 HydrophobicContact CD2-CB 4.28Å; F554-K556 HydrophobicContact CD2-CD 3.77Å; F554-K556 HydrophobicContact CD2-CG 3.85Å; F554-K556 HydrophobicContact CE2-CD 4.15Å; F554-K556 HydrophobicContact CE2-CG 4.5Å; F554-K556 HydrophobicContact CG-CD 4.16Å; F554-K556 HydrophobicContact CG-CG 4.41Å; K556-V558 HydrophobicContact CB-CG2 4.13Å; K556-V562 CarbonylContact O-C 3.52Å; K556-V562 WeakPolarHBondContact O-CA 3.34Å; K556-C563 PolarHBondContact N-O 2.88Å; K556-C563 PolarHBondContact O-N 3.28Å
557	D	96.6	Very high	96.6	Very high	85 Å²	85	21.4 Å²	21.4	46%	0.455	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118	164.5	-173.2	-30	0	0	0	108.3	F176 G560 C561	F176-D557 HydrophobicContact CE2-CB 4.13Å; F176-D557 HydrophobicContact CZ-CB 4.23Å; D557-G560 WeakPolarHBondContact OD1-CA 3.5Å; D557-G560 PolarHBondContact OD1-N 2.79Å; D557-C561 WeakPolarHBondContact CA-O 3.31Å
558	V	96.3	Very high	96.6	Very high	9 Å²	9	21.8 Å²	21.8	6%	0.055	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.6	178.6	-175.6	0	0	0	0	108.4	L506 K507 L510 K556 G560 C561	L506-V558 HydrophobicContact CB-CB 4.36Å; L506-V558 HydrophobicContact CB-CG1 4.2Å; L506-V558 HydrophobicContact CB-CG2 4.04Å; L506-V558 HydrophobicContact CD1-CG2 3.9Å; K507-V558 HydrophobicContact CB-CG1 3.9Å; L510-V558 HydrophobicContact CD1-CB 4.49Å; L510-V558 HydrophobicContact CD1-CG1 4.31Å; L510-V558 WeakPolarHBondContact CD1-O 3.4Å; K556-V558 HydrophobicContact CB-CG2 4.13Å; V558-G560 PolarHBondContact O-N 3.13Å; V558-C561 PolarHBondContact N-O 3.21Å; V558-C561 WeakPolarHBondContact O-CB 3.46Å; V558-C561 PolarHBondContact O-N 3.26Å
559	A	93.2	Very high	96.6	Very high	65 Å²	65	21.7 Å²	21.7	54%	0.537	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	32.2	-177.8	0	0	0	0	0	113.8	F330 L510 C561	F330-A559 WeakPolarHBondContact CZ-O 3.43Å; L510-A559 HydrophobicContact CD1-CB 4.5Å; A559-C561 VanDerWaalsContact C-N 3.33Å
560	G	93.8	Very high	96.5	Very high	17 Å²	17	21.8 Å²	21.8	18%	0.175	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-10.7	-177.5	0	0	0	0	0	114.3	D557 V558 R594	D557-G560 WeakPolarHBondContact OD1-CA 3.5Å; D557-G560 PolarHBondContact OD1-N 2.79Å; V558-G560 PolarHBondContact O-N 3.13Å; G560-R594 PolarHBondContact O-NH1 3.12Å; G560-R594 PolarHBondContact O-NH2 3.25Å
561	C	97.5	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129	173.3	174.4	0	0	0	0	109.9	L510 T541 P542 L545 D557 V558 A559 C563	L510-C561 HydrophobicContact CD1-CB 3.78Å; L510-C561 HydrophobicContact CD2-CB 4.35Å; T541-C561 HydrophobicContact CG2-CB 4.13Å; P542-C561 WeakPolarHBondContact O-CB 3.46Å; P542-C561 PolarHBondContact O-SG 3.17Å; L545-C561 VanDerWaalsContact CB-SG 3.53Å; D557-C561 WeakPolarHBondContact CA-O 3.31Å; V558-C561 PolarHBondContact N-O 3.21Å; V558-C561 WeakPolarHBondContact O-CB 3.46Å; V558-C561 PolarHBondContact O-N 3.26Å; A559-C561 VanDerWaalsContact C-N 3.33Å; C561-C563 PolarHBondContact O-N 3.47Å
562	V	98.3	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	101.1	172.6	-179.7	0	0	0	0	109.2	F176 D543 I544 L545 V555 K556 V564 S596 C598	F176-V562 HydrophobicContact CD1-CG1 4.43Å; F176-V562 HydrophobicContact CE1-CG1 4.13Å; F176-V562 HydrophobicContact CE1-CG2 4Å; F176-V562 HydrophobicContact CZ-CG1 4.43Å; F176-V562 HydrophobicContact CZ-CG2 4.01Å; D543-V562 PolarHBondContact O-N 2.86Å; I544-V562 CarbonylContact C-O 3.55Å; I544-V562 VanDerWaalsContact CA-O 3.26Å; I544-V562 WeakPolarHBondContact CA-O 3.49Å; I544-V562 HydrophobicContact CG1-CB 4.3Å; L545-V562 PolarHBondContact N-O 3.07Å; V555-V562 HydrophobicContact CG1-CG1 3.75Å; K556-V562 CarbonylContact O-C 3.52Å; K556-V562 WeakPolarHBondContact O-CA 3.34Å; V562-V564 HydrophobicContact CG1-CG2 4.17Å; V562-S596 WeakPolarHBondContact CG2-OG 3.44Å; V562-C598 HydrophobicContact CB-CB 4.21Å; V562-C598 HydrophobicContact CG1-CB 4.42Å; V562-C598 HydrophobicContact CG2-CB 3.86Å
563	C	98.6	Very high	96.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.1	178.8	-53.5	0	0	0	0	111	L506 L545 F554 V555 K556 C561	L506-C563 HydrophobicContact CD1-CB 3.54Å; L506-C563 HydrophobicContact CD2-CB 3.7Å; L506-C563 HydrophobicContact CG-CB 4.17Å; L545-C563 CarbonylContact O-C 3.52Å; L545-C563 WeakPolarHBondContact O-CA 3.26Å; F554-C563 HydrophobicContact CE2-CB 4.35Å; V555-C563 WeakPolarHBondContact CA-O 3.35Å; K556-C563 PolarHBondContact N-O 2.88Å; K556-C563 PolarHBondContact O-N 3.28Å; C561-C563 PolarHBondContact O-N 3.47Å
564	V	98.7	Very high	96.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119	-175.1	-176.5	0	0	0	0	110.3	I544 L545 V546 V547 V555 V562 P566 L581	I544-V564 HydrophobicContact CG2-CG2 4.39Å; L545-V564 PolarHBondContact O-N 3.04Å; V546-V564 WeakPolarHBondContact CA-O 3.3Å; V547-V564 PolarHBondContact N-O 3.4Å; V555-V564 HydrophobicContact CG1-CG2 4.15Å; V555-V564 HydrophobicContact CG2-CG1 4.28Å; V555-V564 HydrophobicContact CG2-CG2 4.32Å; V562-V564 HydrophobicContact CG1-CG2 4.17Å; V564-P566 WeakPolarHBondContact O-CD 3.27Å; V564-L581 HydrophobicContact CG2-CD2 4.05Å
565	N	98.6	Very high	96.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	102.8	159.8	174.5	17.1	0	0	0	107.9	L485 S549 L551 R552 Y553 F554 G567	L485-N565 HydrophobicContact CD1-CB 4.43Å; S549-N565 PolarHBondContact N-OD1 2.63Å; L551-N565 PolarHBondContact O-ND2 3.31Å; R552-N565 PolarHBondContact O-ND2 3.4Å; R552-N565 VanDerWaalsContact O-ND2 3.08Å; Y553-N565 VanDerWaalsContact CA-O 3.26Å; Y553-N565 WeakPolarHBondContact CA-O 3.29Å; Y553-N565 WeakPolarHBondContact CB-O 3.2Å; F554-N565 HydrophobicContact CD1-CB 3.77Å; F554-N565 HydrophobicContact CD2-CB 4.34Å; F554-N565 HydrophobicContact CE1-CB 3.54Å; F554-N565 HydrophobicContact CE2-CB 4.11Å; F554-N565 HydrophobicContact CG-CB 4.16Å; F554-N565 HydrophobicContact CZ-CB 3.72Å; F554-N565 PolarHBondContact N-O 3.13Å; F554-N565 PolarHBondContact O-N 2.98Å; N565-G567 PolarHBondContact O-N 3.18Å; N565-G567 WeakPolarHBondContact OD1-CA 3.27Å; N565-G567 PolarHBondContact OD1-N 2.54Å
566	P	98.3	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.			trans	-70.4	-9	177.4	31.6	-37.1	0	0	0	112.9	V350 P548 V564 T577	V350-P566 HydrophobicContact CG1-CB 4.3Å; V350-P566 HydrophobicContact CG1-CG 3.95Å; P548-P566 HydrophobicContact CB-CG 4.25Å; P548-P566 HydrophobicContact CG-CG 4.2Å; V564-P566 WeakPolarHBondContact O-CD 3.27Å; P566-T577 CarbonylContact O-C 3.56Å; P566-T577 WeakPolarHBondContact O-CB 3.06Å; P566-T577 PolarHBondContact O-OG1 2.92Å
567	G	97.8	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.126	C	C	.	.			trans	73.6	-175.6	-165.6	0	0	0	0	0	112.2	N565	N565-G567 PolarHBondContact O-N 3.18Å; N565-G567 WeakPolarHBondContact OD1-CA 3.27Å; N565-G567 PolarHBondContact OD1-N 2.54Å
568	R	98.1	Very high	96.3	Very high	9 Å²	9	16 Å²	16	3%	0.034	11%	0.105	C	C	.	.			trans	-87.9	142.8	171	-52.8	-68	174.3	-177.2	-1.3	109.2	C352 G353 D483 E550 T570 K571 G576 T577	C352-R568 PolarHBondContact SG-NH1 3.16Å; G353-R568 WeakPolarHBondContact O-CD 3.21Å; D483-R568 IonicContact OD2-CZ 3.99Å; D483-R568 IonicContact OD2-NH2 3.33Å; D483-R568 PolarHBondContact OD2-NH2 2.82Å; E550-R568 IonicContact OE1-NE 3.33Å; E550-R568 WeakPolarHBondContact OE2-CG 3.5Å; R568-T570 WeakPolarHBondContact CB-O 3.47Å; R568-T570 PolarHBondContact O-N 3.42Å; R568-K571 HydrophobicContact CB-CG 4.21Å; R568-G576 CarbonylContact O-C 3.59Å; R568-G576 VanDerWaalsContact O-CA 3.28Å; R568-G576 WeakPolarHBondContact O-CA 3.31Å; R568-T577 PolarHBondContact O-N 2.87Å
569	L	98.3	Very high	96.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-64.7	-29.2	176.6	-167.3	73.9	0	0	0	111.6	A351 C352 Y355 P365 L369 G576 T577 I606	A351-L569 HydrophobicContact CB-CD1 4.43Å; C352-L569 VanDerWaalsContact O-CB 3.29Å; C352-L569 WeakPolarHBondContact O-CB 3.46Å; C352-L569 PolarHBondContact O-N 2.68Å; Y355-L569 HydrophobicContact CD1-CD2 3.4Å; Y355-L569 HydrophobicContact CE1-CD2 3.84Å; Y355-L569 HydrophobicContact CG-CD2 4.3Å; P365-L569 HydrophobicContact CB-CD2 4.08Å; P365-L569 HydrophobicContact CB-CG 4.34Å; L369-L569 HydrophobicContact CB-CD2 4.13Å; L369-L569 HydrophobicContact CD1-CD1 4.39Å; L369-L569 HydrophobicContact CD2-CD2 3.92Å; L569-G576 VanDerWaalsContact O-CA 3.26Å; L569-G576 WeakPolarHBondContact O-CA 3.43Å; L569-G576 PolarHBondContact O-N 2.86Å; L569-T577 WeakPolarHBondContact CA-O 3.45Å; L569-I606 HydrophobicContact CD1-CB 3.84Å; L569-I606 HydrophobicContact CD1-CD1 4.24Å; L569-I606 HydrophobicContact CD1-CG1 3.82Å; L569-I606 HydrophobicContact CD1-CG2 4.06Å; L569-I606 HydrophobicContact CG-CG1 4.39Å; L569-I606 HydrophobicContact CG-CG2 4.25Å; L569-I606 VanDerWaalsContact O-CG2 3.3Å; L569-I606 WeakPolarHBondContact O-CG2 3.08Å
570	T	96.9	Very high	96.6	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136	175.9	-40.9	0	0	0	0	110.1	P354 P357 P365 R568 V574	P354-T570 VanDerWaalsContact O-CB 3.22Å; P354-T570 WeakPolarHBondContact O-CB 3.36Å; P354-T570 PolarHBondContact O-N 3.15Å; P354-T570 PolarHBondContact O-OG1 3.06Å; P357-T570 HydrophobicContact CB-CG2 4.31Å; P357-T570 HydrophobicContact CG-CG2 4.28Å; P365-T570 WeakPolarHBondContact CB-OG1 3.3Å; P365-T570 HydrophobicContact CG-CG2 4.15Å; P365-T570 VanDerWaalsContact CG-OG1 3.32Å; P365-T570 WeakPolarHBondContact CG-OG1 3.42Å; R568-T570 WeakPolarHBondContact CB-O 3.47Å; R568-T570 PolarHBondContact O-N 3.42Å; T570-V574 WeakPolarHBondContact CG2-O 3.33Å
571	K	93.3	Very high	96.7	Very high	48 Å²	48	13.3 Å²	13.3	21%	0.209	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	100	174.7	-68	-163.8	176.7	-159.6	0	109.6	T116 E550 R568 Q573 V574	T116-K571 HydrophobicContact CG2-CB 4.38Å; E550-K571 PolarHBondContact O-NZ 3.26Å; R568-K571 HydrophobicContact CB-CG 4.21Å; K571-Q573 PolarHBondContact O-N 3.48Å; K571-V574 HydrophobicContact CB-CG2 4.46Å; K571-V574 PolarHBondContact N-O 3.15Å; K571-V574 WeakPolarHBondContact O-CG2 3.39Å; K571-V574 PolarHBondContact O-N 3.18Å
572	G	92.3	Very high	96.6	Very high	7 Å²	7	14.1 Å²	14.1	7%	0.072	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-119.2	-174.6	0	0	0	0	0	111.2	P357 S358	P357-G572 CarbonylContact C-O 3.58Å; P357-G572 WeakPolarHBondContact CA-O 3.41Å; S358-G572 PolarHBondContact N-O 3.07Å; S358-G572 VanDerWaalsContact OG-C 3.27Å; S358-G572 PolarHBondContact OG-O 3.17Å
573	Q	93.3	Very high	96.4	Very high	67 Å²	67	14.2 Å²	14.2	31%	0.313	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.1	-178.5	-63.4	-180	-31.9	0	0	114.2	K162 Y163 D359 K571	K162-Q573 HydrophobicContact CB-CB 4.3Å; K162-Q573 WeakPolarHBondContact CB-O 3.44Å; K162-Q573 HydrophobicContact CD-CB 3.99Å; Y163-Q573 PolarHBondContact N-O 2.92Å; D359-Q573 HydrophobicContact CB-CG 4.24Å; K571-Q573 PolarHBondContact O-N 3.48Å
574	V	92.6	Very high	95.9	Very high	74 Å²	74	16.6 Å²	16.6	45%	0.448	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	157.8	-175.2	-62.6	0	0	0	0	112.1	K162 T570 K571	K162-V574 HydrophobicContact CB-CG1 4.46Å; T570-V574 WeakPolarHBondContact CG2-O 3.33Å; K571-V574 HydrophobicContact CB-CG2 4.46Å; K571-V574 PolarHBondContact N-O 3.15Å; K571-V574 WeakPolarHBondContact O-CG2 3.39Å; K571-V574 PolarHBondContact O-N 3.18Å
575	G	93	Very high	95	Very high	23 Å²	23	19.6 Å²	19.6	24%	0.237	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	139.9	173.5	0	0	0	0	0	111
576	G	96.8	Very high	93.5	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	12%	0.119	C	C	.	.			trans	-102.3	-133.5	174.2	0	0	0	0	0	111.2	R568 L569 K605 I606	R568-G576 CarbonylContact O-C 3.59Å; R568-G576 VanDerWaalsContact O-CA 3.28Å; R568-G576 WeakPolarHBondContact O-CA 3.31Å; L569-G576 VanDerWaalsContact O-CA 3.26Å; L569-G576 WeakPolarHBondContact O-CA 3.43Å; L569-G576 PolarHBondContact O-N 2.86Å; G576-K605 WeakPolarHBondContact O-CA 3.38Å; G576-I606 PolarHBondContact O-N 3.47Å
577	T	98.5	Very high	91.7	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.2	-171.8	50.8	0	0	0	0	113	V173 Y553 P566 R568 L569 V603 V604 K605	V173-T577 HydrophobicContact CG2-CG2 4.02Å; Y553-T577 HydrophobicContact CD1-CG2 3.82Å; Y553-T577 HydrophobicContact CE1-CG2 3.94Å; P566-T577 CarbonylContact O-C 3.56Å; P566-T577 WeakPolarHBondContact O-CB 3.06Å; P566-T577 PolarHBondContact O-OG1 2.92Å; R568-T577 PolarHBondContact O-N 2.87Å; L569-T577 WeakPolarHBondContact CA-O 3.45Å; T577-V603 HydrophobicContact CG2-CG1 4Å; T577-V604 CarbonylContact C-O 3.52Å; T577-V604 WeakPolarHBondContact CA-O 3.48Å; T577-V604 WeakPolarHBondContact CB-O 3.36Å; T577-K605 HydrophobicContact CG2-CG 3.97Å
578	Y	98.7	Very high	89.7	Confident	3 Å²	3	30.5 Å²	30.5	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.1	168.2	69.1	-83.7	0	0	0	109.9	L349 V372 V603 V604 I606	L349-Y578 HydrophobicContact CD1-CD2 4.03Å; L349-Y578 HydrophobicContact CD1-CE2 4.06Å; L349-Y578 HydrophobicContact CG-CD2 4.16Å; V372-Y578 HydrophobicContact CG1-CE1 4.36Å; V372-Y578 HydrophobicContact CG1-CE2 3.9Å; V372-Y578 WeakPolarHBondContact CG1-OH 3.33Å; V372-Y578 HydrophobicContact CG2-CE1 4.48Å; Y578-V603 WeakPolarHBondContact O-CA 3.42Å; Y578-V604 HydrophobicContact CD1-CB 4.32Å; Y578-V604 WeakPolarHBondContact CD1-O 3.5Å; Y578-V604 HydrophobicContact CE1-CB 3.77Å; Y578-V604 HydrophobicContact CE1-CG1 3.94Å; Y578-V604 HydrophobicContact CE2-CB 4.27Å; Y578-V604 PolarHBondContact N-O 2.76Å; Y578-V604 PolarHBondContact O-N 2.97Å; Y578-I606 HydrophobicContact CD1-CB 4.26Å; Y578-I606 HydrophobicContact CD1-CD1 3.99Å; Y578-I606 HydrophobicContact CE1-CD1 4.06Å
579	G	98.1	Very high	87.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152.3	176.1	0	0	0	0	0	112.4	V350 Q602	V350-G579 PolarHBondContact N-O 3.37Å; V350-G579 PolarHBondContact O-N 3.33Å; G579-Q602 CarbonylContact C-O 3.56Å; G579-Q602 WeakPolarHBondContact CA-O 3.47Å
580	R	96.9	Very high	85.4	Confident	33 Å²	33	42.3 Å²	42.3	13%	0.125	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.6	167.6	55.4	-178.6	-171.4	-170.3	-2	110.4	W184 I348 D376 A601 Q602 V604	W184-R580 VanDerWaalsContact CD2-CD 3.48Å; W184-R580 HydrophobicContact CD2-CG 4.05Å; W184-R580 VanDerWaalsContact CD2-NE 3.25Å; W184-R580 HydrophobicContact CE3-CB 3.8Å; W184-R580 HydrophobicContact CE3-CG 3.46Å; W184-R580 VanDerWaalsContact CE3-CG 3.46Å; W184-R580 VanDerWaalsContact CG-CZ 3.42Å; W184-R580 HydrophobicContact CH2-CG 3.97Å; W184-R580 HydrophobicContact CZ3-CB 3.73Å; W184-R580 HydrophobicContact CZ3-CG 3.42Å; W184-R580 VanDerWaalsContact CZ3-CG 3.42Å; W184-R580 WeakPolarHBondContact CZ3-O 3.44Å; I348-R580 CarbonylContact O-C 3.39Å; I348-R580 VanDerWaalsContact O-CA 3.27Å; I348-R580 WeakPolarHBondContact O-CA 3.31Å; D376-R580 IonicContact OD2-NH1 2.84Å; R580-A601 CarbonylContact O-C 3.58Å; R580-A601 VanDerWaalsContact O-CA 3.26Å; R580-A601 WeakPolarHBondContact O-CA 3.45Å; R580-Q602 HydrophobicContact CG-CB 3.96Å; R580-Q602 VanDerWaalsContact CZ-OE1 3.22Å; R580-Q602 PolarHBondContact N-O 3.3Å; R580-Q602 PolarHBondContact O-N 3.34Å; R580-V604 HydrophobicContact CG-CG2 4.36Å
581	L	96.8	Very high	83.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143	-176.7	-54.2	90	0	0	0	110.2	N347 I348 V350 I544 V564 I583 T600 A601	N347-L581 WeakPolarHBondContact CA-O 3.43Å; I348-L581 HydrophobicContact CB-CB 4.35Å; I348-L581 HydrophobicContact CB-CD1 4.43Å; I348-L581 PolarHBondContact N-O 2.77Å; I348-L581 PolarHBondContact O-N 2.98Å; V350-L581 HydrophobicContact CG2-CD1 3.47Å; V350-L581 VanDerWaalsContact CG2-CD1 3.47Å; I544-L581 HydrophobicContact CD1-CD2 4.1Å; I544-L581 HydrophobicContact CG2-CD2 3.9Å; V564-L581 HydrophobicContact CG2-CD2 4.05Å; L581-I583 HydrophobicContact CB-CG2 4.35Å; L581-T600 WeakPolarHBondContact CA-O 3.44Å; L581-A601 HydrophobicContact CB-CB 4.44Å; L581-A601 HydrophobicContact CD2-CB 4.3Å; L581-A601 HydrophobicContact CG-CB 3.95Å
582	L	94.9	Very high	82.1	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.7	163.2	-71.6	176.1	0	0	0	108.2	A182 W184 L346 N347 L599 T600	A182-L582 HydrophobicContact CB-CD1 3.81Å; W184-L582 HydrophobicContact CE3-CG 4.29Å; W184-L582 HydrophobicContact CZ3-CG 4.08Å; L346-L582 WeakPolarHBondContact O-CA 3.45Å; N347-L582 HydrophobicContact CB-CD2 3.91Å; L582-L599 PolarHBondContact O-N 3.48Å; L582-T600 HydrophobicContact CB-CG2 3.86Å; L582-T600 HydrophobicContact CD1-CG2 3.73Å; L582-T600 HydrophobicContact CG-CG2 4.12Å; L582-T600 PolarHBondContact N-O 2.85Å
583	I	92.9	Very high	81	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.4	177.5	69.5	174	0	0	0	110	P345 L346 I348 I472 V475 F477 I544 L581 P597	P345-I583 CarbonylContact C-O 3.53Å; P345-I583 VanDerWaalsContact CA-O 3.28Å; P345-I583 WeakPolarHBondContact CA-O 3.16Å; L346-I583 HydrophobicContact CB-CD1 4.33Å; L346-I583 HydrophobicContact CB-CG1 3.75Å; L346-I583 HydrophobicContact CD1-CD1 4.36Å; L346-I583 HydrophobicContact CD1-CG1 4.49Å; L346-I583 PolarHBondContact N-O 3.14Å; L346-I583 PolarHBondContact O-N 2.73Å; I348-I583 HydrophobicContact CD1-CD1 3.9Å; I348-I583 HydrophobicContact CD1-CG1 4.31Å; I348-I583 HydrophobicContact CG1-CD1 3.85Å; I348-I583 HydrophobicContact CG1-CG1 4.04Å; I348-I583 HydrophobicContact CG1-CG2 4.32Å; I472-I583 HydrophobicContact CG2-CD1 4.23Å; V475-I583 HydrophobicContact CB-CD1 4.13Å; V475-I583 HydrophobicContact CG1-CD1 4.43Å; V475-I583 HydrophobicContact CG2-CD1 4.16Å; F477-I583 HydrophobicContact CE2-CD1 3.72Å; F477-I583 HydrophobicContact CZ-CD1 3.89Å; F477-I583 HydrophobicContact CZ-CG2 4.03Å; I544-I583 HydrophobicContact CD1-CG2 3.49Å; I544-I583 VanDerWaalsContact CD1-CG2 3.49Å; L581-I583 HydrophobicContact CB-CG2 4.35Å; I583-P597 CarbonylContact C-O 3.58Å; I583-P597 VanDerWaalsContact CA-O 3.22Å; I583-P597 WeakPolarHBondContact CA-O 3.31Å
584	Q	88.8	Confident	80.4	Confident	49 Å²	49	58.7 Å²	58.7	23%	0.229	34%	0.341	C	S	.	.			trans	-145.5	125	173.1	-173.3	179.5	20.6	0	0	107.1	A343 P345 S586 P597 L599	A343-Q584 WeakPolarHBondContact O-CG 3.46Å; A343-Q584 PolarHBondContact O-NE2 3.5Å; P345-Q584 HydrophobicContact CB-CB 4.34Å; P345-Q584 HydrophobicContact CG-CB 4.32Å; P345-Q584 HydrophobicContact CG-CG 4.35Å; Q584-S586 PolarHBondContact O-N 2.73Å; Q584-S586 VanDerWaalsContact O-N 3.16Å; Q584-P597 PolarHBondContact N-O 3.44Å; Q584-P597 VanDerWaalsContact O-CA 3.25Å; Q584-P597 WeakPolarHBondContact O-CA 3.22Å; Q584-P597 WeakPolarHBondContact O-CB 3.38Å; Q584-L599 HydrophobicContact CB-CD1 3.7Å; Q584-L599 HydrophobicContact CB-CD2 4.22Å; Q584-L599 HydrophobicContact CB-CG 3.97Å
585	R	80.7	Confident	80	Confident	65 Å²	65	60.9 Å²	60.9	25%	0.245	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.7	118.2	173.7	-175.5	174.1	174.8	-167.4	-7.8	108.5	T333	T333-R585 PolarHBondContact OG1-NH2 3.2Å
586	S	66.6	Low	79.9	Confident	53 Å²	53	61.4 Å²	61.4	37%	0.371	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-80.4	150.7	174.1	-165.3	0	0	0	0	110.7	Q584 E595	Q584-S586 PolarHBondContact O-N 2.73Å; Q584-S586 VanDerWaalsContact O-N 3.16Å; S586-E595 PolarHBondContact OG-OE2 3.21Å
587	A	59.6	Low	79.7	Confident	80 Å²	80	61.6 Å²	61.6	66%	0.661	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-66.3	158.6	169.4	0	0	0	0	0	109.9	P589	A587-P589 WeakPolarHBondContact O-CD 3.17Å
588	A	57.7	Low	79.5	Confident	96 Å²	96	61.7 Å²	61.7	79%	0.793	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-59.2	124.4	174.3	0	0	0	0	0	109.2	E590	A588-E590 PolarHBondContact O-N 3.28Å
589	P	53.4	Low	79.2	Confident	54 Å²	54	65 Å²	65	35%	0.351	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-67.5	133	-174.3	25.1	-33.2	0	0	0	110.8	A587 D591 G592 K593	A587-P589 WeakPolarHBondContact O-CD 3.17Å; P589-D591 PolarHBondContact O-N 3.03Å; P589-G592 PolarHBondContact O-N 3.3Å; P589-K593 VanDerWaalsContact CB-O 3.29Å; P589-K593 WeakPolarHBondContact CB-O 3.42Å; P589-K593 WeakPolarHBondContact CG-O 3.34Å
590	E	51.8	Low	79.1	Confident	203 Å²	203	65.1 Å²	65.1	95%	0.949	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.1	175.9	-65.9	-166	156.7	0	0	112.3	A588	A588-E590 PolarHBondContact O-N 3.28Å
591	D	59.1	Low	79.1	Confident	148 Å²	148	63.6 Å²	63.6	79%	0.791	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	4.3	-177.4	-76.7	-18.6	0	0	0	114.5	P589 K593	P589-D591 PolarHBondContact O-N 3.03Å; D591-K593 PolarHBondContact O-N 2.75Å; D591-K593 VanDerWaalsContact O-N 3.09Å
592	G	62.4	Low	79.1	Confident	67 Å²	67	64.1 Å²	64.1	69%	0.691	36%	0.362	S	S	*	.	S	Bend	trans	68.7	3.4	178.6	0	0	0	0	0	116.1	P589	P589-G592 PolarHBondContact O-N 3.3Å
593	K	69	Low	79.2	Confident	163 Å²	163	63.3 Å²	63.3	71%	0.709	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-85.1	122.7	173.4	-71.7	-178.1	-178.8	173.2	0	110.5	P589 D591 E595	P589-K593 VanDerWaalsContact CB-O 3.29Å; P589-K593 WeakPolarHBondContact CB-O 3.42Å; P589-K593 WeakPolarHBondContact CG-O 3.34Å; D591-K593 PolarHBondContact O-N 2.75Å; D591-K593 VanDerWaalsContact O-N 3.09Å; K593-E595 PolarHBondContact O-N 3.27Å
594	R	79.8	Confident	79.5	Confident	91 Å²	91	63.2 Å²	63.2	34%	0.343	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-60.6	125.3	177.5	-179.3	174.3	174.2	-83.1	3.4	111	F330 D543 G560	F330-R594 VanDerWaalsContact CD1-CZ 3.46Å; F330-R594 VanDerWaalsContact CD1-NE 3.34Å; F330-R594 VanDerWaalsContact CD1-NH2 3.27Å; F330-R594 VanDerWaalsContact CD2-CD 3.47Å; F330-R594 VanDerWaalsContact CG-NE 3.27Å; D543-R594 IonicContact OD1-CZ 2.88Å; D543-R594 IonicContact OD1-NE 3.71Å; D543-R594 IonicContact OD1-NH2 2.63Å; D543-R594 PolarHBondContact OD1-NH2 3.32Å; G560-R594 PolarHBondContact O-NH1 3.12Å; G560-R594 PolarHBondContact O-NH2 3.25Å
595	E	85	Confident	79.9	Confident	119 Å²	119	64 Å²	64	56%	0.556	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-95.2	135.7	166.2	-66.8	-172.6	159.4	0	0	109.9	S586 K593	S586-E595 PolarHBondContact OG-OE2 3.21Å; K593-E595 PolarHBondContact O-N 3.27Å
596	S	90.9	Very high	80.6	Confident	34 Å²	34	61 Å²	61	24%	0.238	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-71.8	130.8	175.5	-178.7	0	0	0	0	109.8	V562 C598	V562-S596 WeakPolarHBondContact CG2-OG 3.44Å; S596-C598 PolarHBondContact O-N 3.47Å; S596-C598 PolarHBondContact OG-N 3.02Å
597	P	92.1	Very high	81.3	Confident	11 Å²	11	61.4 Å²	61.4	7%	0.071	35%	0.348	C	S	.	.	S	Bend	trans	-73.3	-7.1	174.7	31	-35.3	0	0	0	112.8	V475 D543 I583 Q584	V475-P597 HydrophobicContact CG1-CB 4.06Å; V475-P597 HydrophobicContact CG1-CG 3.67Å; V475-P597 HydrophobicContact CG2-CB 3.71Å; V475-P597 HydrophobicContact CG2-CG 4.19Å; D543-P597 HydrophobicContact CB-CG 3.53Å; I583-P597 CarbonylContact C-O 3.58Å; I583-P597 VanDerWaalsContact CA-O 3.22Å; I583-P597 WeakPolarHBondContact CA-O 3.31Å; Q584-P597 PolarHBondContact N-O 3.44Å; Q584-P597 VanDerWaalsContact O-CA 3.25Å; Q584-P597 WeakPolarHBondContact O-CA 3.22Å; Q584-P597 WeakPolarHBondContact O-CB 3.38Å
598	C	94	Very high	82.4	Confident	6 Å²	6	60.4 Å²	60.4	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.4	173.1	-175	0	0	0	0	109.8	I544 V562 S596	I544-C598 HydrophobicContact CD1-CB 3.97Å; I544-C598 HydrophobicContact CG1-CB 4.06Å; V562-C598 HydrophobicContact CB-CB 4.21Å; V562-C598 HydrophobicContact CG1-CB 4.42Å; V562-C598 HydrophobicContact CG2-CB 3.86Å; S596-C598 PolarHBondContact O-N 3.47Å; S596-C598 PolarHBondContact OG-N 3.02Å
599	L	92.9	Very high	83.8	Confident	72 Å²	72	58.4 Å²	58.4	38%	0.377	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-45	-176.6	-58	-179.7	0	0	0	112.1	P345 L582 Q584	P345-L599 HydrophobicContact CB-CD1 4.24Å; P345-L599 HydrophobicContact CG-CD1 4.09Å; L582-L599 PolarHBondContact O-N 3.48Å; Q584-L599 HydrophobicContact CB-CD1 3.7Å; Q584-L599 HydrophobicContact CB-CD2 4.22Å; Q584-L599 HydrophobicContact CB-CG 3.97Å
600	T	95.1	Very high	85.6	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	151.5	179.7	-177.8	0	0	0	0	110.7	F176 A182 W184 L581 L582	F176-T600 VanDerWaalsContact O-CA 3.26Å; F176-T600 WeakPolarHBondContact O-CA 3.46Å; F176-T600 WeakPolarHBondContact O-CB 3.44Å; F176-T600 PolarHBondContact O-OG1 3.1Å; A182-T600 HydrophobicContact CB-CG2 4Å; W184-T600 HydrophobicContact CH2-CG2 4.06Å; W184-T600 HydrophobicContact CZ2-CG2 4.23Å; L581-T600 WeakPolarHBondContact CA-O 3.44Å; L582-T600 HydrophobicContact CB-CG2 3.86Å; L582-T600 HydrophobicContact CD1-CG2 3.73Å; L582-T600 HydrophobicContact CG-CG2 4.12Å; L582-T600 PolarHBondContact N-O 2.85Å
601	A	96.9	Very high	87.7	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.7	175.3	0	0	0	0	0	111.2	F176 V555 R580 L581	F176-A601 HydrophobicContact CB-CB 4.41Å; F176-A601 PolarHBondContact N-O 3.25Å; F176-A601 PolarHBondContact O-N 2.9Å; F176-A601 VanDerWaalsContact O-N 3.08Å; V555-A601 HydrophobicContact CG1-CB 4.09Å; V555-A601 HydrophobicContact CG2-CB 4.13Å; R580-A601 CarbonylContact O-C 3.58Å; R580-A601 VanDerWaalsContact O-CA 3.26Å; R580-A601 WeakPolarHBondContact O-CA 3.45Å; L581-A601 HydrophobicContact CB-CB 4.44Å; L581-A601 HydrophobicContact CD2-CB 4.3Å; L581-A601 HydrophobicContact CG-CB 3.95Å
602	Q	97.2	Very high	89.6	Confident	11 Å²	11	43.1 Å²	43.1	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152.3	175	-74.4	-174.9	-26.2	0	0	111.5	V172 V174 S175 W184 G579 R580 V604	V172-Q602 HydrophobicContact CG1-CB 4.25Å; V172-Q602 HydrophobicContact CG1-CG 4.02Å; V174-Q602 VanDerWaalsContact O-CA 3.27Å; V174-Q602 WeakPolarHBondContact O-CA 3.27Å; S175-Q602 PolarHBondContact OG-NE2 3.33Å; W184-Q602 VanDerWaalsContact CE2-OE1 3.31Å; W184-Q602 HydrophobicContact CH2-CB 4.12Å; W184-Q602 HydrophobicContact CH2-CG 3.97Å; W184-Q602 HydrophobicContact CZ2-CB 4.04Å; W184-Q602 VanDerWaalsContact CZ2-CD 3.43Å; W184-Q602 HydrophobicContact CZ2-CG 3.5Å; W184-Q602 VanDerWaalsContact CZ2-CG 3.5Å; G579-Q602 CarbonylContact C-O 3.56Å; G579-Q602 WeakPolarHBondContact CA-O 3.47Å; R580-Q602 HydrophobicContact CG-CB 3.96Å; R580-Q602 VanDerWaalsContact CZ-OE1 3.22Å; R580-Q602 PolarHBondContact N-O 3.3Å; R580-Q602 PolarHBondContact O-N 3.34Å; Q602-V604 HydrophobicContact CB-CG2 4.29Å
603	V	98	Very high	91.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.2	163.9	-176.5	0	0	0	0	108.3	V173 V174 Y553 V555 T577 Y578	V173-V603 HydrophobicContact CG2-CB 3.94Å; V173-V603 HydrophobicContact CG2-CG1 3.77Å; V173-V603 VanDerWaalsContact CG2-O 3.27Å; V173-V603 WeakPolarHBondContact CG2-O 3.18Å; V173-V603 PolarHBondContact N-O 3.45Å; V174-V603 HydrophobicContact CB-CB 4.01Å; V174-V603 HydrophobicContact CB-CG2 4.07Å; V174-V603 PolarHBondContact N-O 3.23Å; V174-V603 PolarHBondContact O-N 2.86Å; Y553-V603 HydrophobicContact CD1-CG1 4.46Å; Y553-V603 HydrophobicContact CD2-CB 4.44Å; Y553-V603 HydrophobicContact CD2-CG1 4.21Å; Y553-V603 HydrophobicContact CG-CG1 3.89Å; V555-V603 HydrophobicContact CG2-CG2 4.2Å; T577-V603 HydrophobicContact CG2-CG1 4Å; Y578-V603 WeakPolarHBondContact O-CA 3.42Å
604	V	97.7	Very high	93.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.6	-170.1	-170.3	0	0	0	0	109.9	G170 E171 V172 T577 Y578 R580 Q602	G170-V604 WeakPolarHBondContact O-CG1 3.43Å; E171-V604 CarbonylContact O-C 3.53Å; E171-V604 WeakPolarHBondContact O-CA 3.49Å; V172-V604 HydrophobicContact CG2-CG2 4.24Å; T577-V604 CarbonylContact C-O 3.52Å; T577-V604 WeakPolarHBondContact CA-O 3.48Å; T577-V604 WeakPolarHBondContact CB-O 3.36Å; Y578-V604 HydrophobicContact CD1-CB 4.32Å; Y578-V604 WeakPolarHBondContact CD1-O 3.5Å; Y578-V604 HydrophobicContact CE1-CB 3.77Å; Y578-V604 HydrophobicContact CE1-CG1 3.94Å; Y578-V604 HydrophobicContact CE2-CB 4.27Å; Y578-V604 PolarHBondContact N-O 2.76Å; Y578-V604 PolarHBondContact O-N 2.97Å; R580-V604 HydrophobicContact CG-CG2 4.36Å; Q602-V604 HydrophobicContact CB-CG2 4.29Å
605	K	97.7	Very high	94.4	Very high	65 Å²	65	27.2 Å²	27.2	28%	0.283	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.2	173.1	-70.6	-175.6	-171.5	163.6	0	111.4	G168 G170 E171 V173 G576 T577	G168-K605 WeakPolarHBondContact O-CB 3.38Å; G170-K605 WeakPolarHBondContact CA-O 3.38Å; G170-K605 PolarHBondContact N-O 2.97Å; E171-K605 HydrophobicContact CB-CB 4.4Å; E171-K605 HydrophobicContact CB-CD 4.14Å; E171-K605 HydrophobicContact CB-CG 4.43Å; E171-K605 PolarHBondContact O-N 2.95Å; E171-K605 IonicContact OE1-NZ 3.11Å; E171-K605 PolarHBondContact OE1-NZ 2.83Å; E171-K605 WeakPolarHBondContact OE2-CE 3.35Å; E171-K605 IonicContact OE2-NZ 3.95Å; E171-K605 PolarHBondContact OE2-NZ 3.17Å; V173-K605 HydrophobicContact CG1-CD 4.21Å; V173-K605 HydrophobicContact CG1-CG 3.89Å; G576-K605 WeakPolarHBondContact O-CA 3.38Å; T577-K605 HydrophobicContact CG2-CG 3.97Å
606	I	95.6	Very high	95.3	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.101	C	C	.	.			trans	-77.9	0	178.1	-167.8	62.5	0	0	0	113.2	Y163 R166 K169 D368 L369 V372 L569 G576 Y578	Y163-I606 HydrophobicContact CE2-CG2 4.35Å; R166-I606 WeakPolarHBondContact CD-O 3.29Å; R166-I606 PolarHBondContact NE-O 3.48Å; R166-I606 PolarHBondContact NE-OXT 2.89Å; R166-I606 PolarHBondContact NH2-OXT 2.68Å; K169-I606 WeakPolarHBondContact CG-OXT 3.47Å; D368-I606 HydrophobicContact CB-CD1 4.26Å; D368-I606 HydrophobicContact CB-CG1 4.12Å; L369-I606 HydrophobicContact CB-CD1 4.24Å; L369-I606 HydrophobicContact CD1-CD1 4.44Å; V372-I606 HydrophobicContact CG2-CD1 3.89Å; L569-I606 HydrophobicContact CD1-CB 3.84Å; L569-I606 HydrophobicContact CD1-CD1 4.24Å; L569-I606 HydrophobicContact CD1-CG1 3.82Å; L569-I606 HydrophobicContact CD1-CG2 4.06Å; L569-I606 HydrophobicContact CG-CG1 4.39Å; L569-I606 HydrophobicContact CG-CG2 4.25Å; L569-I606 VanDerWaalsContact O-CG2 3.3Å; L569-I606 WeakPolarHBondContact O-CG2 3.08Å; G576-I606 PolarHBondContact O-N 3.47Å; Y578-I606 HydrophobicContact CD1-CB 4.26Å; Y578-I606 HydrophobicContact CD1-CD1 3.99Å; Y578-I606 HydrophobicContact CE1-CD1 4.06Å

Retrieved 606 of 606 residues in 710.4 ms (Link to these results)

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