A0A087Y6Y8_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087Y6Y8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	59	Low	251 Å²	251	122 Å²	122	100%	1.236	70%	0.703	S	S	*	*				0	89.7	0	-72.1	176.7	-175.2	0	0	108.1
2	S	30	Very low	61.1	Low	113 Å²	113	115 Å²	115	79%	0.79	68%	0.677	S	S	*	*			trans	-104.8	96.7	172.7	39.5	0	0	0	0	107.5	I4	S2-I4 PolarHBondContact O-N 3.46Å; S2-I4 VanDerWaalsContact O-N 3.09Å
3	G	31	Very low	63	Low	71 Å²	71	107.3 Å²	107.3	73%	0.732	63%	0.632	S	S	*	*			trans	-66.5	105	171.8	0	0	0	0	0	108.8	H5	G3-H5 PolarHBondContact O-N 3.19Å
4	I	33.7	Very low	64.9	Low	154 Å²	154	102.1 Å²	102.1	79%	0.79	60%	0.599	S	S	*	*			trans	-64.8	106.2	167.1	-61.5	170.2	0	0	0	105.6	S2 Q6	S2-I4 PolarHBondContact O-N 3.46Å; S2-I4 VanDerWaalsContact O-N 3.09Å; I4-Q6 PolarHBondContact O-N 3.23Å
5	H	40.2	Very low	66.3	Low	183 Å²	183	95.3 Å²	95.3	85%	0.847	56%	0.559	S	S	*	*			trans	-59.4	102.2	169.5	-82.9	-74.7	0	0	0	108.1	G3 V7	G3-H5 PolarHBondContact O-N 3.19Å; H5-V7 PolarHBondContact O-N 3.28Å
6	Q	56.5	Low	67.7	Low	161 Å²	161	90.8 Å²	90.8	75%	0.752	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-64.2	126.1	171.2	-89.3	-178.2	-12.2	0	0	108.7	I4	I4-Q6 PolarHBondContact O-N 3.23Å
7	V	73.6	Confident	68.8	Low	121 Å²	121	85.6 Å²	85.6	73%	0.733	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-59.9	126.4	173	179.6	0	0	0	0	108.2	H5	H5-V7 PolarHBondContact O-N 3.28Å
8	P	82.6	Confident	69.4	Low	83 Å²	83	84.9 Å²	84.9	54%	0.539	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-62.2	145.6	-178.3	20.7	-30	0	0	0	112	V42	P8-V42 HydrophobicContact CB-CG1 3.66Å
9	W	88.1	Confident	70.1	Confident	37 Å²	37	87.3 Å²	87.3	14%	0.14	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-72.9	135.2	-176.9	-60	-18.8	0	0	0	112.4	T13 C15 I39 Y49 V66 K68	W9-T13 HydrophobicContact CB-CG2 4.15Å; W9-T13 HydrophobicContact CG-CG2 4.29Å; W9-C15 HydrophobicContact CH2-CB 4.44Å; W9-C15 HydrophobicContact CZ3-CB 3.91Å; W9-I39 HydrophobicContact CB-CG1 4.31Å; W9-I39 HydrophobicContact CE3-CD1 3.85Å; W9-I39 HydrophobicContact CE3-CG1 3.88Å; W9-I39 HydrophobicContact CZ3-CD1 4.33Å; W9-Y49 HydrophobicContact CB-CE1 3.87Å; W9-Y49 HydrophobicContact CD2-CE2 4.17Å; W9-Y49 AromaticContact CD2-CZ 3.99Å; W9-Y49 HydrophobicContact CE3-CD2 4.2Å; W9-Y49 AromaticContact CE3-CE2 3.77Å; W9-Y49 HydrophobicContact CE3-CE2 3.77Å; W9-Y49 AromaticContact CE3-CZ 3.97Å; W9-Y49 HydrophobicContact CG-CE1 4.4Å; W9-Y49 HydrophobicContact CZ3-CD2 4.46Å; W9-Y49 HydrophobicContact CZ3-CE2 4.17Å; W9-Y49 PolarHBondContact N-OH 3.16Å; W9-Y49 VanDerWaalsContact N-OH 3.08Å; W9-V66 HydrophobicContact CH2-CG2 3.83Å; W9-V66 HydrophobicContact CZ3-CB 4.45Å; W9-V66 HydrophobicContact CZ3-CG2 3.55Å; W9-K68 HydrophobicContact CH2-CB 4.36Å; W9-K68 HydrophobicContact CZ2-CB 3.84Å
10	S	87.6	Confident	71	Confident	83 Å²	83	88.5 Å²	88.5	58%	0.58	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-74.3	156.2	178.4	54.2	0	0	0	0	112	T13	S10-T13 VanDerWaalsContact O-CB 3.22Å; S10-T13 WeakPolarHBondContact O-CB 3.43Å; S10-T13 PolarHBondContact O-N 2.83Å; S10-T13 VanDerWaalsContact O-N 3.16Å; S10-T13 PolarHBondContact O-OG1 2.88Å; S10-T13 PolarHBondContact OG-OG1 3.39Å
11	S	91.1	Very high	72	Confident	85 Å²	85	85.3 Å²	85.3	59%	0.594	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	139.7	170.3	-164	0	0	0	0	111	T13 I39 I40	S11-T13 VanDerWaalsContact C-N 3.34Å; S11-I39 CarbonylContact C-O 3.46Å; S11-I39 WeakPolarHBondContact CA-O 3.42Å; S11-I40 WeakPolarHBondContact CB-O 3.06Å; S11-I40 PolarHBondContact OG-O 2.96Å
12	G	84.9	Confident	74.6	Confident	38 Å²	38	81.9 Å²	81.9	39%	0.392	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-12.2	-173.9	0	0	0	0	0	115	E14 I39 R245	G12-E14 PolarHBondContact O-N 3.42Å; G12-I39 PolarHBondContact N-O 2.87Å; G12-R245 PolarHBondContact O-NH1 3.04Å
13	T	85.4	Confident	77.3	Confident	15 Å²	15	79.8 Å²	79.8	9%	0.092	44%	0.441	C	S	.	.			trans	-60.7	126.3	177.1	-60.7	0	0	0	0	110.4	W9 S10 S11 T38 I39 K68	W9-T13 HydrophobicContact CB-CG2 4.15Å; W9-T13 HydrophobicContact CG-CG2 4.29Å; S10-T13 VanDerWaalsContact O-CB 3.22Å; S10-T13 WeakPolarHBondContact O-CB 3.43Å; S10-T13 PolarHBondContact O-N 2.83Å; S10-T13 VanDerWaalsContact O-N 3.16Å; S10-T13 PolarHBondContact O-OG1 2.88Å; S10-T13 PolarHBondContact OG-OG1 3.39Å; S11-T13 VanDerWaalsContact C-N 3.34Å; T13-T38 CarbonylContact O-C 3.59Å; T13-T38 WeakPolarHBondContact O-CA 3.47Å; T13-I39 HydrophobicContact CG2-CG1 4.41Å; T13-I39 WeakPolarHBondContact O-CG1 3.38Å; T13-I39 PolarHBondContact O-N 2.78Å; T13-K68 HydrophobicContact CG2-CD 3.97Å; T13-K68 HydrophobicContact CG2-CG 3.67Å
14	E	89.1	Confident	79.7	Confident	35 Å²	35	79.8 Å²	79.8	16%	0.164	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.3	169.6	-77.2	-175.5	138.4	0	0	111.2	G12 V36 L37 R69 R245	G12-E14 PolarHBondContact O-N 3.42Å; E14-V36 HydrophobicContact CB-CG1 4.4Å; E14-V36 HydrophobicContact CG-CG1 4.27Å; E14-L37 CarbonylContact C-O 3.52Å; E14-L37 WeakPolarHBondContact CA-O 3.47Å; E14-R69 HydrophobicContact CB-CB 4.28Å; E14-R69 HydrophobicContact CB-CG 4.48Å; E14-R69 PolarHBondContact O-N 2.87Å; E14-R245 VanDerWaalsContact CG-CZ 3.5Å; E14-R245 IonicContact OE1-CZ 3.92Å; E14-R245 IonicContact OE1-NE 3.99Å; E14-R245 PolarHBondContact OE1-NE 3.42Å; E14-R245 IonicContact OE1-NH1 3.87Å; E14-R245 IonicContact OE1-NH2 3.59Å; E14-R245 PolarHBondContact OE1-NH2 2.9Å; E14-R245 IonicContact OE2-CZ 2.81Å; E14-R245 IonicContact OE2-NE 2.63Å; E14-R245 PolarHBondContact OE2-NE 3.02Å; E14-R245 IonicContact OE2-NH1 2.68Å; E14-R245 IonicContact OE2-NH2 3.66Å
15	C	86.4	Confident	82.2	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.5	172.9	61.6	0	0	0	0	110.1	W9 V36 L37 V66 Q67	W9-C15 HydrophobicContact CH2-CB 4.44Å; W9-C15 HydrophobicContact CZ3-CB 3.91Å; C15-V36 WeakPolarHBondContact O-CA 3.3Å; C15-L37 PolarHBondContact N-O 3.44Å; C15-L37 PolarHBondContact O-N 2.9Å; C15-L37 PolarHBondContact SG-O 2.89Å; C15-L37 VanDerWaalsContact SG-O 3.37Å; C15-V66 HydrophobicContact CB-CB 4.1Å; C15-V66 HydrophobicContact CB-CG2 4.49Å; C15-Q67 CarbonylContact C-O 3.6Å; C15-Q67 WeakPolarHBondContact CA-O 3.4Å; C15-Q67 WeakPolarHBondContact CB-O 3.45Å
16	V	88.1	Confident	84.4	Confident	22 Å²	22	77.2 Å²	77.2	13%	0.133	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137	176.6	62.7	0	0	0	0	109.8	K18 D35 V66 Q67 R69	V16-K18 PolarHBondContact O-N 2.84Å; V16-D35 WeakPolarHBondContact CA-O 3.5Å; V16-V66 CarbonylContact O-C 3.52Å; V16-V66 VanDerWaalsContact O-CA 3.29Å; V16-V66 WeakPolarHBondContact O-CA 3.39Å; V16-Q67 HydrophobicContact CG1-CB 4.11Å; V16-Q67 PolarHBondContact N-O 2.76Å; V16-Q67 PolarHBondContact O-N 2.92Å; V16-R69 HydrophobicContact CB-CG 4.44Å
17	A	87.3	Confident	85.9	Confident	4 Å²	4	76.6 Å²	76.6	3%	0.033	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126	176	0	0	0	0	0	111.7	F31 C32 G34 D35	A17-F31 HydrophobicContact CB-CD2 3.4Å; A17-F31 VanDerWaalsContact CB-CD2 3.4Å; A17-F31 HydrophobicContact CB-CE2 3.66Å; A17-F31 HydrophobicContact CB-CG 4.38Å; A17-C32 VanDerWaalsContact CB-O 3.23Å; A17-C32 WeakPolarHBondContact CB-O 3.23Å; A17-G34 WeakPolarHBondContact O-CA 3.44Å; A17-G34 PolarHBondContact O-N 2.93Å; A17-D35 PolarHBondContact N-O 3.28Å
18	K	79.9	Confident	86.9	Confident	73 Å²	73	71.6 Å²	71.6	32%	0.317	40%	0.398	S	S	.	.	S	Bend	trans	-82.4	-25.6	173.8	-65.3	-178.8	-63.9	-169.4	0	112.7	V16 K33 N64 Y65 V66 Q67	V16-K18 PolarHBondContact O-N 2.84Å; K18-K33 VanDerWaalsContact O-CD 3.23Å; K18-K33 WeakPolarHBondContact O-CD 3.23Å; K18-K33 VanDerWaalsContact O-CE 3.32Å; K18-K33 WeakPolarHBondContact O-CE 3.24Å; K18-K33 VanDerWaalsContact O-CG 3.29Å; K18-K33 WeakPolarHBondContact O-CG 3.32Å; K18-N64 WeakPolarHBondContact CE-O 3.47Å; K18-N64 PolarHBondContact NZ-O 2.86Å; K18-Y65 WeakPolarHBondContact CB-O 3.49Å; K18-Y65 PolarHBondContact N-O 2.7Å; K18-V66 VanDerWaalsContact CE-O 3.3Å; K18-V66 WeakPolarHBondContact CE-O 3.21Å; K18-V66 PolarHBondContact NZ-O 3.09Å; K18-Q67 HydrophobicContact CD-CB 4.1Å; K18-Q67 HydrophobicContact CG-CB 4.07Å
19	Y	82.2	Confident	87.5	Confident	130 Å²	130	67.9 Å²	67.9	51%	0.51	37%	0.373	S	S	.	.	S	Bend	trans	-138.5	165	-176.2	-49.1	-68.4	0	0	0	110.9	F31 K33 Y65	Y19-F31 WeakPolarHBondContact O-CE2 3.27Å; Y19-K33 PolarHBondContact O-N 3.3Å; Y19-Y65 HydrophobicContact CD2-CD1 4.23Å; Y19-Y65 HydrophobicContact CD2-CG 4.25Å
20	N	87.4	Confident	87.8	Confident	110 Å²	110	69.1 Å²	69.1	59%	0.588	39%	0.386	S	S	*	.			trans	-72.9	139	166.6	-62.5	-26.8	0	0	0	109	C32 K33	N20-C32 WeakPolarHBondContact OD1-CA 3.24Å; N20-K33 PolarHBondContact OD1-N 2.76Å
21	F	92	Very high	88	Confident	22 Å²	22	65.6 Å²	65.6	10%	0.096	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-123.2	122.3	174.7	177.2	-116.8	0	0	0	110	D28 L29 F31 W48 P62 Y65	F21-D28 HydrophobicContact CE1-CB 3.85Å; F21-D28 HydrophobicContact CZ-CB 4.05Å; F21-L29 WeakPolarHBondContact CD1-O 3.3Å; F21-F31 HydrophobicContact CB-CD1 3.94Å; F21-F31 HydrophobicContact CB-CD2 3.81Å; F21-F31 HydrophobicContact CB-CE1 3.49Å; F21-F31 VanDerWaalsContact CB-CE1 3.49Å; F21-F31 HydrophobicContact CB-CE2 3.37Å; F21-F31 HydrophobicContact CB-CG 4.08Å; F21-F31 HydrophobicContact CB-CZ 3.2Å; F21-F31 AromaticContact CD1-CD1 3.87Å; F21-F31 HydrophobicContact CD1-CD1 3.87Å; F21-F31 AromaticContact CD1-CE1 3.37Å; F21-F31 HydrophobicContact CD1-CE1 3.37Å; F21-F31 AromaticContact CD1-CZ 3.92Å; F21-F31 HydrophobicContact CD1-CZ 3.92Å; F21-F31 HydrophobicContact CE1-CE1 4.32Å; F21-F31 HydrophobicContact CG-CD1 4.36Å; F21-F31 AromaticContact CG-CE1 3.7Å; F21-F31 HydrophobicContact CG-CE1 3.7Å; F21-F31 HydrophobicContact CG-CE2 4.39Å; F21-F31 AromaticContact CG-CZ 3.74Å; F21-F31 HydrophobicContact CG-CZ 3.74Å; F21-F31 PolarHBondContact N-O 2.84Å; F21-F31 PolarHBondContact O-N 3.02Å; F21-W48 HydrophobicContact CE1-CZ3 4.44Å; F21-W48 HydrophobicContact CE2-CH2 4.2Å; F21-W48 AromaticContact CZ-CH2 3.8Å; F21-W48 HydrophobicContact CZ-CH2 3.8Å; F21-W48 AromaticContact CZ-CZ3 3.79Å; F21-W48 HydrophobicContact CZ-CZ3 3.79Å; F21-P62 HydrophobicContact CD2-CG 3.74Å; F21-P62 HydrophobicContact CE2-CG 3.7Å; F21-P62 HydrophobicContact CG-CG 4.21Å; F21-P62 HydrophobicContact CZ-CG 4.12Å; F21-Y65 HydrophobicContact CB-CD1 3.99Å; F21-Y65 HydrophobicContact CB-CE1 4.38Å; F21-Y65 HydrophobicContact CD2-CD1 4.27Å; F21-Y65 HydrophobicContact CD2-CE1 4.18Å
22	K	90.5	Very high	87.8	Confident	179 Å²	179	64.9 Å²	64.9	78%	0.778	36%	0.355	S	S	*	.			trans	-97.2	139.9	172	-67	-176.1	179.9	-178.7	0	108.1	G24	K22-G24 PolarHBondContact O-N 2.88Å
23	P	85.8	Confident	87.6	Confident	70 Å²	70	68.6 Å²	68.6	46%	0.455	36%	0.36	S	S	.	.			trans	-68.3	132.3	-175.5	27.4	-28.1	0	0	0	109.8	D28 P30	P23-D28 HydrophobicContact CB-CB 3.68Å; P23-P30 HydrophobicContact CG-CB 4.46Å
24	G	81	Confident	87.2	Confident	71 Å²	71	69 Å²	69	73%	0.732	37%	0.367	S	S	*	.	S	Bend	trans	-90.6	-23	170.7	0	0	0	0	0	112.2	K22 D28	K22-G24 PolarHBondContact O-N 2.88Å; G24-D28 WeakPolarHBondContact CA-OD2 3.4Å; G24-D28 PolarHBondContact N-OD2 3.23Å
25	T	86.6	Confident	87	Confident	77 Å²	77	69.9 Å²	69.9	47%	0.472	37%	0.373	S	S	.	.	S	Bend	trans	-135.5	165.9	177.3	70.7	0	0	0	0	111.2	Q27 D28	T25-Q27 PolarHBondContact O-N 2.88Å; T25-Q27 PolarHBondContact OG1-N 3.12Å; T25-D28 PolarHBondContact N-OD2 3.41Å; T25-D28 WeakPolarHBondContact O-CB 3.32Å; T25-D28 PolarHBondContact O-N 3.44Å; T25-D28 VanDerWaalsContact OG1-CG 3.28Å; T25-D28 PolarHBondContact OG1-OD1 3.3Å; T25-D28 PolarHBondContact OG1-OD2 2.74Å
26	E	85.9	Confident	87.1	Confident	205 Å²	205	71.5 Å²	71.5	96%	0.958	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.8	175	-67.2	-172	164.4	0	0	113.6	D28	E26-D28 VanDerWaalsContact C-N 3.34Å
27	Q	89.3	Confident	87.3	Confident	149 Å²	149	70.5 Å²	70.5	70%	0.696	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-15.6	179.3	-62.2	179	7.1	0	0	112.2	T25 G59 T60	T25-Q27 PolarHBondContact O-N 2.88Å; T25-Q27 PolarHBondContact OG1-N 3.12Å; Q27-G59 CarbonylContact O-C 3.49Å; Q27-G59 WeakPolarHBondContact O-CA 3.2Å; Q27-T60 PolarHBondContact O-N 2.78Å; Q27-T60 PolarHBondContact O-OG1 3.02Å; Q27-T60 VanDerWaalsContact O-OG1 3.09Å
28	D	93.9	Very high	87.6	Confident	15 Å²	15	71.9 Å²	71.9	8%	0.08	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-75.4	134.5	-177	-70.6	-24.3	0	0	0	111.8	F21 P23 G24 T25 E26 P30 W48 T60	F21-D28 HydrophobicContact CE1-CB 3.85Å; F21-D28 HydrophobicContact CZ-CB 4.05Å; P23-D28 HydrophobicContact CB-CB 3.68Å; G24-D28 WeakPolarHBondContact CA-OD2 3.4Å; G24-D28 PolarHBondContact N-OD2 3.23Å; T25-D28 PolarHBondContact N-OD2 3.41Å; T25-D28 WeakPolarHBondContact O-CB 3.32Å; T25-D28 PolarHBondContact O-N 3.44Å; T25-D28 VanDerWaalsContact OG1-CG 3.28Å; T25-D28 PolarHBondContact OG1-OD1 3.3Å; T25-D28 PolarHBondContact OG1-OD2 2.74Å; E26-D28 VanDerWaalsContact C-N 3.34Å; D28-P30 WeakPolarHBondContact O-CD 3.47Å; D28-W48 WeakPolarHBondContact OD1-CZ3 3.46Å; D28-T60 WeakPolarHBondContact CA-O 3.23Å; D28-T60 WeakPolarHBondContact CA-OG1 3.44Å; D28-T60 PolarHBondContact OD1-OG1 2.87Å
29	L	94.9	Very high	88.3	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	37%	0.369	C	S	.	.			trans	-88.6	110.1	175.4	-179.7	61.9	0	0	0	109.2	F21 F31 L37 N53 R57 T60 I61	F21-L29 WeakPolarHBondContact CD1-O 3.3Å; L29-F31 VanDerWaalsContact O-CD1 3.24Å; L29-F31 WeakPolarHBondContact O-CD1 3.47Å; L29-L37 HydrophobicContact CD2-CD2 3.98Å; L29-N53 HydrophobicContact CD2-CB 4.31Å; L29-R57 HydrophobicContact CD1-CB 3.89Å; L29-T60 PolarHBondContact N-O 3.48Å; L29-I61 HydrophobicContact CB-CG2 3.88Å; L29-I61 HydrophobicContact CD2-CG2 4.26Å; L29-I61 HydrophobicContact CG-CG2 4.45Å
30	P	94.1	Very high	88.9	Confident	63 Å²	63	64.3 Å²	64.3	41%	0.409	36%	0.356	S	S	.	.			trans	-65.8	144.7	173.5	26.3	-34.5	0	0	0	111.6	P23 D28	P23-P30 HydrophobicContact CG-CB 4.46Å; D28-P30 WeakPolarHBondContact O-CD 3.47Å
31	F	91.3	Very high	89.1	Confident	9 Å²	9	60.2 Å²	60.2	4%	0.039	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-152.3	156.7	173.9	54.9	-98.8	0	0	0	112.2	A17 Y19 F21 L29 D35 L37 I61 Y65 V66	A17-F31 HydrophobicContact CB-CD2 3.4Å; A17-F31 VanDerWaalsContact CB-CD2 3.4Å; A17-F31 HydrophobicContact CB-CE2 3.66Å; A17-F31 HydrophobicContact CB-CG 4.38Å; Y19-F31 WeakPolarHBondContact O-CE2 3.27Å; F21-F31 HydrophobicContact CB-CD1 3.94Å; F21-F31 HydrophobicContact CB-CD2 3.81Å; F21-F31 HydrophobicContact CB-CE1 3.49Å; F21-F31 VanDerWaalsContact CB-CE1 3.49Å; F21-F31 HydrophobicContact CB-CE2 3.37Å; F21-F31 HydrophobicContact CB-CG 4.08Å; F21-F31 HydrophobicContact CB-CZ 3.2Å; F21-F31 AromaticContact CD1-CD1 3.87Å; F21-F31 HydrophobicContact CD1-CD1 3.87Å; F21-F31 AromaticContact CD1-CE1 3.37Å; F21-F31 HydrophobicContact CD1-CE1 3.37Å; F21-F31 AromaticContact CD1-CZ 3.92Å; F21-F31 HydrophobicContact CD1-CZ 3.92Å; F21-F31 HydrophobicContact CE1-CE1 4.32Å; F21-F31 HydrophobicContact CG-CD1 4.36Å; F21-F31 AromaticContact CG-CE1 3.7Å; F21-F31 HydrophobicContact CG-CE1 3.7Å; F21-F31 HydrophobicContact CG-CE2 4.39Å; F21-F31 AromaticContact CG-CZ 3.74Å; F21-F31 HydrophobicContact CG-CZ 3.74Å; F21-F31 PolarHBondContact N-O 2.84Å; F21-F31 PolarHBondContact O-N 3.02Å; L29-F31 VanDerWaalsContact O-CD1 3.24Å; L29-F31 WeakPolarHBondContact O-CD1 3.47Å; F31-D35 HydrophobicContact CB-CB 4.25Å; F31-L37 HydrophobicContact CB-CD1 4.27Å; F31-L37 HydrophobicContact CB-CD2 4.36Å; F31-L37 HydrophobicContact CD1-CD1 3.72Å; F31-L37 HydrophobicContact CD2-CD1 4.29Å; F31-L37 HydrophobicContact CE1-CD1 4.07Å; F31-L37 HydrophobicContact CG-CD1 3.84Å; F31-L37 HydrophobicContact CZ-CD1 4.46Å; F31-I61 HydrophobicContact CD1-CG2 3.85Å; F31-I61 HydrophobicContact CE1-CB 3.74Å; F31-I61 HydrophobicContact CE1-CG2 3.53Å; F31-Y65 HydrophobicContact CE2-CD1 4.44Å; F31-Y65 HydrophobicContact CZ-CD1 4.43Å; F31-V66 HydrophobicContact CZ-CG1 4.32Å
32	C	87.3	Confident	89	Confident	70 Å²	70	63.3 Å²	63.3	47%	0.473	36%	0.36	S	S	.	.			trans	-95.5	153.2	172.2	-63.5	0	0	0	0	110.8	A17 N20 G34 D35	A17-C32 VanDerWaalsContact CB-O 3.23Å; A17-C32 WeakPolarHBondContact CB-O 3.23Å; N20-C32 WeakPolarHBondContact OD1-CA 3.24Å; C32-G34 PolarHBondContact O-N 2.86Å; C32-D35 PolarHBondContact N-OD2 3.26Å; C32-D35 VanDerWaalsContact O-CB 3.27Å; C32-D35 WeakPolarHBondContact O-CB 3.29Å; C32-D35 PolarHBondContact O-N 3.09Å
33	K	81.8	Confident	88.9	Confident	117 Å²	117	57 Å²	57	51%	0.509	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	127.8	170.7	172.7	173.9	-176.3	-179.5	0	108.5	K18 Y19 N20 R216	K18-K33 VanDerWaalsContact O-CD 3.23Å; K18-K33 WeakPolarHBondContact O-CD 3.23Å; K18-K33 VanDerWaalsContact O-CE 3.32Å; K18-K33 WeakPolarHBondContact O-CE 3.24Å; K18-K33 VanDerWaalsContact O-CG 3.29Å; K18-K33 WeakPolarHBondContact O-CG 3.32Å; Y19-K33 PolarHBondContact O-N 3.3Å; N20-K33 PolarHBondContact OD1-N 2.76Å; K33-R216 PolarHBondContact O-NH1 3.49Å; K33-R216 PolarHBondContact O-NH2 2.84Å
34	G	75.6	Confident	89	Confident	22 Å²	22	66.1 Å²	66.1	23%	0.227	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-3.8	179.6	0	0	0	0	0	114.7	A17 C32 R216	A17-G34 WeakPolarHBondContact O-CA 3.44Å; A17-G34 PolarHBondContact O-N 2.93Å; C32-G34 PolarHBondContact O-N 2.86Å; G34-R216 VanDerWaalsContact C-NH1 3.25Å; G34-R216 VanDerWaalsContact CA-NH1 3.33Å
35	D	85.8	Confident	89.2	Confident	55 Å²	55	65.9 Å²	65.9	29%	0.294	34%	0.344	S	S	.	.			trans	-65.6	143.1	172.5	-69.5	-2.4	0	0	0	110.5	V16 A17 F31 C32 R216	V16-D35 WeakPolarHBondContact CA-O 3.5Å; A17-D35 PolarHBondContact N-O 3.28Å; F31-D35 HydrophobicContact CB-CB 4.25Å; C32-D35 PolarHBondContact N-OD2 3.26Å; C32-D35 VanDerWaalsContact O-CB 3.27Å; C32-D35 WeakPolarHBondContact O-CB 3.29Å; C32-D35 PolarHBondContact O-N 3.09Å; D35-R216 IonicContact OD1-NH1 3.44Å
36	V	88.8	Confident	89.2	Confident	34 Å²	34	67.4 Å²	67.4	21%	0.206	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.6	174.4	-178.1	0	0	0	0	109.4	E14 C15 T54	E14-V36 HydrophobicContact CB-CG1 4.4Å; E14-V36 HydrophobicContact CG-CG1 4.27Å; C15-V36 WeakPolarHBondContact O-CA 3.3Å; V36-T54 HydrophobicContact CB-CG2 4.46Å
37	L	92.1	Very high	89.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.1	-177.1	-60.9	163	0	0	0	108.8	E14 C15 L29 F31 A51 R52 N53 I61 V66	E14-L37 CarbonylContact C-O 3.52Å; E14-L37 WeakPolarHBondContact CA-O 3.47Å; C15-L37 PolarHBondContact N-O 3.44Å; C15-L37 PolarHBondContact O-N 2.9Å; C15-L37 PolarHBondContact SG-O 2.89Å; C15-L37 VanDerWaalsContact SG-O 3.37Å; L29-L37 HydrophobicContact CD2-CD2 3.98Å; F31-L37 HydrophobicContact CB-CD1 4.27Å; F31-L37 HydrophobicContact CB-CD2 4.36Å; F31-L37 HydrophobicContact CD1-CD1 3.72Å; F31-L37 HydrophobicContact CD2-CD1 4.29Å; F31-L37 HydrophobicContact CE1-CD1 4.07Å; F31-L37 HydrophobicContact CG-CD1 3.84Å; F31-L37 HydrophobicContact CZ-CD1 4.46Å; L37-A51 HydrophobicContact CB-CB 4.48Å; L37-R52 CarbonylContact C-O 3.56Å; L37-R52 WeakPolarHBondContact CA-O 3.11Å; L37-N53 HydrophobicContact CD2-CB 3.87Å; L37-I61 HydrophobicContact CB-CD1 4.37Å; L37-I61 HydrophobicContact CD1-CD1 3.89Å; L37-I61 HydrophobicContact CD1-CG2 4.46Å; L37-V66 HydrophobicContact CD1-CG1 3.84Å
38	T	93.5	Very high	89.4	Confident	34 Å²	34	58.8 Å²	58.8	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.4	175.5	-59.8	0	0	0	0	109.6	T13 I40 A51 R52	T13-T38 CarbonylContact O-C 3.59Å; T13-T38 WeakPolarHBondContact O-CA 3.47Å; T38-I40 PolarHBondContact O-N 3.33Å; T38-A51 CarbonylContact O-C 3.59Å; T38-A51 WeakPolarHBondContact O-CA 3.43Å; T38-R52 PolarHBondContact N-O 3.13Å; T38-R52 PolarHBondContact O-N 3.08Å
39	I	94.3	Very high	89.5	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.2	174.7	-56.3	-57.9	0	0	0	109	W9 S11 G12 T13 Y49 A51 I61	W9-I39 HydrophobicContact CB-CG1 4.31Å; W9-I39 HydrophobicContact CE3-CD1 3.85Å; W9-I39 HydrophobicContact CE3-CG1 3.88Å; W9-I39 HydrophobicContact CZ3-CD1 4.33Å; S11-I39 CarbonylContact C-O 3.46Å; S11-I39 WeakPolarHBondContact CA-O 3.42Å; G12-I39 PolarHBondContact N-O 2.87Å; T13-I39 HydrophobicContact CG2-CG1 4.41Å; T13-I39 WeakPolarHBondContact O-CG1 3.38Å; T13-I39 PolarHBondContact O-N 2.78Å; I39-Y49 HydrophobicContact CD1-CD1 4.23Å; I39-Y49 HydrophobicContact CD1-CD2 4.36Å; I39-Y49 HydrophobicContact CD1-CG 3.9Å; I39-Y49 HydrophobicContact CG2-CD1 3.82Å; I39-Y49 HydrophobicContact CG2-CE1 4.41Å; I39-Y49 HydrophobicContact CG2-CG 4.47Å; I39-A51 HydrophobicContact CD1-CB 4.44Å; I39-I61 HydrophobicContact CD1-CD1 4.18Å
40	I	95	Very high	89.5	Confident	44 Å²	44	63.2 Å²	63.2	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-35.7	175.7	-50.6	176.1	0	0	0	109.7	S11 T38 K50 R52 E58	S11-I40 WeakPolarHBondContact CB-O 3.06Å; S11-I40 PolarHBondContact OG-O 2.96Å; T38-I40 PolarHBondContact O-N 3.33Å; I40-K50 HydrophobicContact CB-CG 4.46Å; I40-K50 HydrophobicContact CD1-CG 4.39Å; I40-K50 PolarHBondContact N-O 3.48Å; I40-R52 HydrophobicContact CD1-CB 3.82Å; I40-R52 HydrophobicContact CG1-CB 4.08Å; I40-E58 HydrophobicContact CD1-CB 4.07Å; I40-E58 HydrophobicContact CD1-CG 3.6Å; I40-E58 WeakPolarHBondContact CD1-OE1 3.43Å
41	G	91	Very high	89.6	Confident	23 Å²	23	60.2 Å²	60.2	24%	0.237	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	167.4	178.8	0	0	0	0	0	113	K50	G41-K50 PolarHBondContact N-O 3.03Å; G41-K50 PolarHBondContact O-N 3.23Å
42	V	90.8	Very high	89.9	Confident	88 Å²	88	64.9 Å²	64.9	53%	0.533	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	147.2	173.1	-66.6	0	0	0	0	110.2	P8 Y49	P8-V42 HydrophobicContact CB-CG1 3.66Å; V42-Y49 HydrophobicContact CG1-CD1 4.14Å; V42-Y49 HydrophobicContact CG1-CE1 3.74Å
43	T	89.1	Confident	90.1	Very high	47 Å²	47	63 Å²	63	29%	0.288	32%	0.316	S	S	.	.			trans	-92.6	-179.2	168	78.6	0	0	0	0	110.5	D45 W48 T60	T43-D45 PolarHBondContact O-N 3.47Å; T43-D45 PolarHBondContact OG1-N 2.85Å; T43-D45 PolarHBondContact OG1-O 3.19Å; T43-W48 WeakPolarHBondContact CB-O 3.42Å; T43-W48 HydrophobicContact CG2-CB 4.09Å; T43-W48 WeakPolarHBondContact CG2-O 3.27Å; T43-W48 PolarHBondContact N-O 3.33Å; T43-W48 WeakPolarHBondContact OG1-CB 3.48Å; T43-W48 PolarHBondContact OG1-O 3.46Å; T43-T60 HydrophobicContact CG2-CG2 4.17Å
44	R	86.6	Confident	90.2	Very high	260 Å²	260	63.2 Å²	63.2	98%	0.981	33%	0.327	S	S	*	.	S	Bend	trans	-66.5	-27.8	172.3	-66.6	-177.3	-177.6	176.7	1	112.3
45	D	86.4	Confident	90.7	Very high	67 Å²	67	67.5 Å²	67.5	36%	0.358	35%	0.348	S	S	.	.	S	Bend	trans	-94.4	120.3	176.2	-175.5	-14.9	0	0	0	109.1	T43 N47 W48	T43-D45 PolarHBondContact O-N 3.47Å; T43-D45 PolarHBondContact OG1-N 2.85Å; T43-D45 PolarHBondContact OG1-O 3.19Å; D45-N47 PolarHBondContact O-N 2.97Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.3Å; D45-N47 PolarHBondContact OD1-N 3.06Å; D45-N47 PolarHBondContact OD1-ND2 3.48Å; D45-W48 PolarHBondContact O-N 3.38Å; D45-W48 VanDerWaalsContact O-O 3.09Å
46	P	85.2	Confident	90.9	Very high	109 Å²	109	66.9 Å²	66.9	71%	0.708	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.3	178.8	27.5	-36.3	0	0	0	113.6	W48	P46-W48 PolarHBondContact O-N 3.02Å
47	N	88.4	Confident	91.1	Very high	97 Å²	97	73.2 Å²	73.2	52%	0.519	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.8	174	-58.8	-62	0	0	0	113.3	D45 P62 A63	D45-N47 PolarHBondContact O-N 2.97Å; D45-N47 VanDerWaalsContact OD1-CB 3.3Å; D45-N47 WeakPolarHBondContact OD1-CB 3.3Å; D45-N47 PolarHBondContact OD1-N 3.06Å; D45-N47 PolarHBondContact OD1-ND2 3.48Å; N47-P62 CarbonylContact O-C 3.58Å; N47-P62 WeakPolarHBondContact O-CA 3.48Å; N47-A63 WeakPolarHBondContact O-CB 3.37Å; N47-A63 PolarHBondContact O-N 2.86Å
48	W	92.3	Very high	91.3	Very high	76 Å²	76	77.2 Å²	77.2	29%	0.288	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.8	-175.8	-67.4	87.2	0	0	0	112.8	F21 D28 T43 D45 P46 I61 P62	F21-W48 HydrophobicContact CE1-CZ3 4.44Å; F21-W48 HydrophobicContact CE2-CH2 4.2Å; F21-W48 AromaticContact CZ-CH2 3.8Å; F21-W48 HydrophobicContact CZ-CH2 3.8Å; F21-W48 AromaticContact CZ-CZ3 3.79Å; F21-W48 HydrophobicContact CZ-CZ3 3.79Å; D28-W48 WeakPolarHBondContact OD1-CZ3 3.46Å; T43-W48 WeakPolarHBondContact CB-O 3.42Å; T43-W48 HydrophobicContact CG2-CB 4.09Å; T43-W48 WeakPolarHBondContact CG2-O 3.27Å; T43-W48 PolarHBondContact N-O 3.33Å; T43-W48 WeakPolarHBondContact OG1-CB 3.48Å; T43-W48 PolarHBondContact OG1-O 3.46Å; D45-W48 PolarHBondContact O-N 3.38Å; D45-W48 VanDerWaalsContact O-O 3.09Å; P46-W48 PolarHBondContact O-N 3.02Å; W48-I61 WeakPolarHBondContact CA-O 3.29Å; W48-P62 HydrophobicContact CD2-CB 4.48Å; W48-P62 HydrophobicContact CE3-CB 4.33Å; W48-P62 HydrophobicContact CH2-CB 4.31Å; W48-P62 HydrophobicContact CH2-CG 4.45Å; W48-P62 HydrophobicContact CZ2-CB 4.43Å; W48-P62 HydrophobicContact CZ3-CB 4.26Å; W48-P62 HydrophobicContact CZ3-CG 4.33Å
49	Y	94.9	Very high	91.4	Very high	18 Å²	18	76 Å²	76	7%	0.071	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.3	172.9	-71.8	-81.6	0	0	0	110.9	W9 I39 V42 T60 I61 A63	W9-Y49 HydrophobicContact CB-CE1 3.87Å; W9-Y49 HydrophobicContact CD2-CE2 4.17Å; W9-Y49 AromaticContact CD2-CZ 3.99Å; W9-Y49 HydrophobicContact CE3-CD2 4.2Å; W9-Y49 AromaticContact CE3-CE2 3.77Å; W9-Y49 HydrophobicContact CE3-CE2 3.77Å; W9-Y49 AromaticContact CE3-CZ 3.97Å; W9-Y49 HydrophobicContact CG-CE1 4.4Å; W9-Y49 HydrophobicContact CZ3-CD2 4.46Å; W9-Y49 HydrophobicContact CZ3-CE2 4.17Å; W9-Y49 PolarHBondContact N-OH 3.16Å; W9-Y49 VanDerWaalsContact N-OH 3.08Å; I39-Y49 HydrophobicContact CD1-CD1 4.23Å; I39-Y49 HydrophobicContact CD1-CD2 4.36Å; I39-Y49 HydrophobicContact CD1-CG 3.9Å; I39-Y49 HydrophobicContact CG2-CD1 3.82Å; I39-Y49 HydrophobicContact CG2-CE1 4.41Å; I39-Y49 HydrophobicContact CG2-CG 4.47Å; V42-Y49 HydrophobicContact CG1-CD1 4.14Å; V42-Y49 HydrophobicContact CG1-CE1 3.74Å; Y49-T60 CarbonylContact O-C 3.43Å; Y49-T60 VanDerWaalsContact O-CA 3.3Å; Y49-T60 WeakPolarHBondContact O-CA 3.47Å; Y49-I61 PolarHBondContact N-O 2.72Å; Y49-I61 PolarHBondContact O-N 2.91Å; Y49-A63 HydrophobicContact CD2-CB 3.79Å; Y49-A63 HydrophobicContact CE2-CB 3.56Å
50	K	96	Very high	91.5	Very high	94 Å²	94	77.3 Å²	77.3	41%	0.409	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.1	160.2	-169.6	174.7	179.7	-178.2	0	108.3	I40 G41 E58 G59	I40-K50 HydrophobicContact CB-CG 4.46Å; I40-K50 HydrophobicContact CD1-CG 4.39Å; I40-K50 PolarHBondContact N-O 3.48Å; G41-K50 PolarHBondContact N-O 3.03Å; G41-K50 PolarHBondContact O-N 3.23Å; K50-E58 IonicContact NZ-OE2 2.66Å; K50-G59 WeakPolarHBondContact CA-O 3.41Å
51	A	96.4	Very high	91.5	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	164.7	-175.4	0	0	0	0	0	112.4	L37 T38 I39 E58 G59 I61	L37-A51 HydrophobicContact CB-CB 4.48Å; T38-A51 CarbonylContact O-C 3.59Å; T38-A51 WeakPolarHBondContact O-CA 3.43Å; I39-A51 HydrophobicContact CD1-CB 4.44Å; A51-E58 VanDerWaalsContact O-CA 3.24Å; A51-E58 WeakPolarHBondContact O-CA 3.48Å; A51-G59 PolarHBondContact N-O 3.44Å; A51-G59 PolarHBondContact O-N 3.24Å; A51-I61 HydrophobicContact CB-CD1 3.41Å; A51-I61 VanDerWaalsContact CB-CD1 3.41Å; A51-I61 HydrophobicContact CB-CG1 3.74Å; A51-I61 HydrophobicContact CB-CG2 4.14Å
52	R	96.4	Very high	91.5	Very high	107 Å²	107	74.4 Å²	74.4	40%	0.404	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.2	173.8	-163.5	-179.7	-67.2	150.8	-1.6	110	L37 T38 I40 R57 E58	L37-R52 CarbonylContact C-O 3.56Å; L37-R52 WeakPolarHBondContact CA-O 3.11Å; T38-R52 PolarHBondContact N-O 3.13Å; T38-R52 PolarHBondContact O-N 3.08Å; I40-R52 HydrophobicContact CD1-CB 3.82Å; I40-R52 HydrophobicContact CG1-CB 4.08Å; R52-R57 CarbonylContact C-O 3.54Å; R52-R57 VanDerWaalsContact CA-O 3.23Å; R52-R57 WeakPolarHBondContact CA-O 3.1Å; R52-E58 HydrophobicContact CB-CG 4.26Å; R52-E58 HydrophobicContact CG-CG 3.96Å; R52-E58 IonicContact CZ-OE1 3.57Å; R52-E58 VanDerWaalsContact CZ-OE1 3.23Å; R52-E58 IonicContact NE-OE1 3.58Å; R52-E58 PolarHBondContact NE-OE1 2.69Å; R52-E58 IonicContact NH2-OE1 2.77Å; R52-E58 PolarHBondContact NH2-OE1 3.25Å
53	N	91.9	Very high	91.4	Very high	30 Å²	30	71.3 Å²	71.3	16%	0.16	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	176	170.1	71.9	9.2	0	0	0	112.2	L29 L37 V55 G56 R57	L29-N53 HydrophobicContact CD2-CB 4.31Å; L37-N53 HydrophobicContact CD2-CB 3.87Å; N53-V55 WeakPolarHBondContact ND2-CG2 3.47Å; N53-V55 PolarHBondContact O-N 2.68Å; N53-V55 WeakPolarHBondContact OD1-CG2 3.49Å; N53-V55 PolarHBondContact OD1-N 3.43Å; N53-G56 PolarHBondContact O-N 3.26Å; N53-G56 PolarHBondContact OD1-N 3.19Å; N53-R57 PolarHBondContact N-O 3.04Å; N53-R57 WeakPolarHBondContact OD1-CB 3.44Å; N53-R57 PolarHBondContact OD1-N 2.73Å; N53-R57 PolarHBondContact OD1-O 2.71Å
54	T	84.1	Confident	91.3	Very high	123 Å²	123	73.8 Å²	73.8	76%	0.755	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.6	-176.9	52.3	0	0	0	0	114.4	V36 G56	V36-T54 HydrophobicContact CB-CG2 4.46Å; T54-G56 VanDerWaalsContact C-N 3.32Å
55	V	86.1	Confident	91.3	Very high	111 Å²	111	65.2 Å²	65.2	67%	0.673	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	6.5	175.7	-60.2	0	0	0	0	113.1	N53 R57	N53-V55 WeakPolarHBondContact ND2-CG2 3.47Å; N53-V55 PolarHBondContact O-N 2.68Å; N53-V55 WeakPolarHBondContact OD1-CG2 3.49Å; N53-V55 PolarHBondContact OD1-N 3.43Å; V55-R57 HydrophobicContact CG2-CG 4.14Å
56	G	89.2	Confident	91.3	Very high	42 Å²	42	62.3 Å²	62.3	43%	0.433	32%	0.324	S	S	.	.	S	Bend	trans	87.6	2.9	174.4	0	0	0	0	0	115.7	N53 T54	N53-G56 PolarHBondContact O-N 3.26Å; N53-G56 PolarHBondContact OD1-N 3.19Å; T54-G56 VanDerWaalsContact C-N 3.32Å
57	R	93.4	Very high	91.3	Very high	168 Å²	168	59.9 Å²	59.9	63%	0.634	30%	0.303	S	S	*	.			trans	-74.7	139.7	175.8	-65.2	-180	-178.5	-179.5	-0.7	110.4	L29 R52 N53 V55	L29-R57 HydrophobicContact CD1-CB 3.89Å; R52-R57 CarbonylContact C-O 3.54Å; R52-R57 VanDerWaalsContact CA-O 3.23Å; R52-R57 WeakPolarHBondContact CA-O 3.1Å; N53-R57 PolarHBondContact N-O 3.04Å; N53-R57 WeakPolarHBondContact OD1-CB 3.44Å; N53-R57 PolarHBondContact OD1-N 2.73Å; N53-R57 PolarHBondContact OD1-O 2.71Å; V55-R57 HydrophobicContact CG2-CG 4.14Å
58	E	96.4	Very high	91	Very high	84 Å²	84	58.6 Å²	58.6	39%	0.393	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.9	-179.5	-57	-170.5	173.2	0	0	111.6	I40 K50 A51 R52	I40-E58 HydrophobicContact CD1-CB 4.07Å; I40-E58 HydrophobicContact CD1-CG 3.6Å; I40-E58 WeakPolarHBondContact CD1-OE1 3.43Å; K50-E58 IonicContact NZ-OE2 2.66Å; A51-E58 VanDerWaalsContact O-CA 3.24Å; A51-E58 WeakPolarHBondContact O-CA 3.48Å; R52-E58 HydrophobicContact CB-CG 4.26Å; R52-E58 HydrophobicContact CG-CG 3.96Å; R52-E58 IonicContact CZ-OE1 3.57Å; R52-E58 VanDerWaalsContact CZ-OE1 3.23Å; R52-E58 IonicContact NE-OE1 3.58Å; R52-E58 PolarHBondContact NE-OE1 2.69Å; R52-E58 IonicContact NH2-OE1 2.77Å; R52-E58 PolarHBondContact NH2-OE1 3.25Å
59	G	95.3	Very high	90.5	Very high	9 Å²	9	56.2 Å²	56.2	9%	0.093	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	-172.1	171.8	0	0	0	0	0	112.1	Q27 K50 A51	Q27-G59 CarbonylContact O-C 3.49Å; Q27-G59 WeakPolarHBondContact O-CA 3.2Å; K50-G59 WeakPolarHBondContact CA-O 3.41Å; A51-G59 PolarHBondContact N-O 3.44Å; A51-G59 PolarHBondContact O-N 3.24Å
60	T	95.9	Very high	89.8	Confident	26 Å²	26	59.9 Å²	59.9	16%	0.16	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.9	179.4	40.9	0	0	0	0	112.1	Q27 D28 L29 T43 Y49	Q27-T60 PolarHBondContact O-N 2.78Å; Q27-T60 PolarHBondContact O-OG1 3.02Å; Q27-T60 VanDerWaalsContact O-OG1 3.09Å; D28-T60 WeakPolarHBondContact CA-O 3.23Å; D28-T60 WeakPolarHBondContact CA-OG1 3.44Å; D28-T60 PolarHBondContact OD1-OG1 2.87Å; L29-T60 PolarHBondContact N-O 3.48Å; T43-T60 HydrophobicContact CG2-CG2 4.17Å; Y49-T60 CarbonylContact O-C 3.43Å; Y49-T60 VanDerWaalsContact O-CA 3.3Å; Y49-T60 WeakPolarHBondContact O-CA 3.47Å
61	I	95.4	Very high	89	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.6	178.6	64.9	167.7	0	0	0	111	L29 F31 L37 I39 W48 Y49 A51 V66	L29-I61 HydrophobicContact CB-CG2 3.88Å; L29-I61 HydrophobicContact CD2-CG2 4.26Å; L29-I61 HydrophobicContact CG-CG2 4.45Å; F31-I61 HydrophobicContact CD1-CG2 3.85Å; F31-I61 HydrophobicContact CE1-CB 3.74Å; F31-I61 HydrophobicContact CE1-CG2 3.53Å; L37-I61 HydrophobicContact CB-CD1 4.37Å; L37-I61 HydrophobicContact CD1-CD1 3.89Å; L37-I61 HydrophobicContact CD1-CG2 4.46Å; I39-I61 HydrophobicContact CD1-CD1 4.18Å; W48-I61 WeakPolarHBondContact CA-O 3.29Å; Y49-I61 PolarHBondContact N-O 2.72Å; Y49-I61 PolarHBondContact O-N 2.91Å; A51-I61 HydrophobicContact CB-CD1 3.41Å; A51-I61 VanDerWaalsContact CB-CD1 3.41Å; A51-I61 HydrophobicContact CB-CG1 3.74Å; A51-I61 HydrophobicContact CB-CG2 4.14Å; I61-V66 HydrophobicContact CD1-CG1 4.12Å; I61-V66 HydrophobicContact CD1-CG2 4.35Å
62	P	92.4	Very high	88.2	Confident	7 Å²	7	57.1 Å²	57.1	5%	0.045	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.6	177	26.4	-28.1	0	0	0	111.7	F21 N47 W48 N64 Y65	F21-P62 HydrophobicContact CD2-CG 3.74Å; F21-P62 HydrophobicContact CE2-CG 3.7Å; F21-P62 HydrophobicContact CG-CG 4.21Å; F21-P62 HydrophobicContact CZ-CG 4.12Å; N47-P62 CarbonylContact O-C 3.58Å; N47-P62 WeakPolarHBondContact O-CA 3.48Å; W48-P62 HydrophobicContact CD2-CB 4.48Å; W48-P62 HydrophobicContact CE3-CB 4.33Å; W48-P62 HydrophobicContact CH2-CB 4.31Å; W48-P62 HydrophobicContact CH2-CG 4.45Å; W48-P62 HydrophobicContact CZ2-CB 4.43Å; W48-P62 HydrophobicContact CZ3-CB 4.26Å; W48-P62 HydrophobicContact CZ3-CG 4.33Å; P62-N64 VanDerWaalsContact C-N 3.31Å; P62-N64 PolarHBondContact O-N 2.9Å; P62-Y65 HydrophobicContact CB-CD2 3.91Å; P62-Y65 HydrophobicContact CB-CG 4.41Å; P62-Y65 HydrophobicContact CG-CD1 4.32Å; P62-Y65 HydrophobicContact CG-CD2 3.58Å; P62-Y65 HydrophobicContact CG-CE2 4.2Å; P62-Y65 HydrophobicContact CG-CG 3.67Å; P62-Y65 WeakPolarHBondContact O-CB 3.2Å; P62-Y65 PolarHBondContact O-N 2.81Å; P62-Y65 VanDerWaalsContact O-N 3.09Å
63	A	87.6	Confident	86.7	Confident	22 Å²	22	59.4 Å²	59.4	18%	0.182	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-58.9	-38.5	-175.7	0	0	0	0	0	113	N47 Y49 Y65 V66	N47-A63 WeakPolarHBondContact O-CB 3.37Å; N47-A63 PolarHBondContact O-N 2.86Å; Y49-A63 HydrophobicContact CD2-CB 3.79Å; Y49-A63 HydrophobicContact CE2-CB 3.56Å; A63-Y65 PolarHBondContact O-N 2.8Å; A63-V66 VanDerWaalsContact O-CG2 3.27Å; A63-V66 WeakPolarHBondContact O-CG2 3.44Å; A63-V66 PolarHBondContact O-N 2.79Å
64	N	86.3	Confident	85	Confident	100 Å²	100	58.8 Å²	58.8	54%	0.535	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-70.8	-13.9	-179.8	62.9	-30.8	0	0	0	113.6	K18 P62	K18-N64 WeakPolarHBondContact CE-O 3.47Å; K18-N64 PolarHBondContact NZ-O 2.86Å; P62-N64 VanDerWaalsContact C-N 3.31Å; P62-N64 PolarHBondContact O-N 2.9Å
65	Y	88	Confident	83.4	Confident	80 Å²	80	56.8 Å²	56.8	31%	0.314	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-87	-8.7	177.1	-80.9	-123.4	0	0	0	113.3	K18 Y19 F21 F31 P62 A63	K18-Y65 WeakPolarHBondContact CB-O 3.49Å; K18-Y65 PolarHBondContact N-O 2.7Å; Y19-Y65 HydrophobicContact CD2-CD1 4.23Å; Y19-Y65 HydrophobicContact CD2-CG 4.25Å; F21-Y65 HydrophobicContact CB-CD1 3.99Å; F21-Y65 HydrophobicContact CB-CE1 4.38Å; F21-Y65 HydrophobicContact CD2-CD1 4.27Å; F21-Y65 HydrophobicContact CD2-CE1 4.18Å; F31-Y65 HydrophobicContact CE2-CD1 4.44Å; F31-Y65 HydrophobicContact CZ-CD1 4.43Å; P62-Y65 HydrophobicContact CB-CD2 3.91Å; P62-Y65 HydrophobicContact CB-CG 4.41Å; P62-Y65 HydrophobicContact CG-CD1 4.32Å; P62-Y65 HydrophobicContact CG-CD2 3.58Å; P62-Y65 HydrophobicContact CG-CE2 4.2Å; P62-Y65 HydrophobicContact CG-CG 3.67Å; P62-Y65 WeakPolarHBondContact O-CB 3.2Å; P62-Y65 PolarHBondContact O-N 2.81Å; P62-Y65 VanDerWaalsContact O-N 3.09Å; A63-Y65 PolarHBondContact O-N 2.8Å
66	V	86.3	Confident	81.8	Confident	5 Å²	5	54.7 Å²	54.7	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	162.4	-175.8	-69.2	0	0	0	0	111.1	W9 C15 V16 K18 F31 L37 I61 A63	W9-V66 HydrophobicContact CH2-CG2 3.83Å; W9-V66 HydrophobicContact CZ3-CB 4.45Å; W9-V66 HydrophobicContact CZ3-CG2 3.55Å; C15-V66 HydrophobicContact CB-CB 4.1Å; C15-V66 HydrophobicContact CB-CG2 4.49Å; V16-V66 CarbonylContact O-C 3.52Å; V16-V66 VanDerWaalsContact O-CA 3.29Å; V16-V66 WeakPolarHBondContact O-CA 3.39Å; K18-V66 VanDerWaalsContact CE-O 3.3Å; K18-V66 WeakPolarHBondContact CE-O 3.21Å; K18-V66 PolarHBondContact NZ-O 3.09Å; F31-V66 HydrophobicContact CZ-CG1 4.32Å; L37-V66 HydrophobicContact CD1-CG1 3.84Å; I61-V66 HydrophobicContact CD1-CG1 4.12Å; I61-V66 HydrophobicContact CD1-CG2 4.35Å; A63-V66 VanDerWaalsContact O-CG2 3.27Å; A63-V66 WeakPolarHBondContact O-CG2 3.44Å; A63-V66 PolarHBondContact O-N 2.79Å
67	Q	83.9	Confident	80.8	Confident	59 Å²	59	58.5 Å²	58.5	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.5	176.3	-179.8	178.2	11.3	0	0	108.1	C15 V16 K18 R69 S185 R186	C15-Q67 CarbonylContact C-O 3.6Å; C15-Q67 WeakPolarHBondContact CA-O 3.4Å; C15-Q67 WeakPolarHBondContact CB-O 3.45Å; V16-Q67 HydrophobicContact CG1-CB 4.11Å; V16-Q67 PolarHBondContact N-O 2.76Å; V16-Q67 PolarHBondContact O-N 2.92Å; K18-Q67 HydrophobicContact CD-CB 4.1Å; K18-Q67 HydrophobicContact CG-CB 4.07Å; Q67-R69 PolarHBondContact O-N 3.42Å; Q67-S185 PolarHBondContact NE2-O 3.38Å; Q67-S185 VanDerWaalsContact NE2-O 3.14Å; Q67-R186 PolarHBondContact NE2-O 3.05Å
68	K	82.1	Confident	79.7	Confident	69 Å²	69	50.8 Å²	50.8	30%	0.3	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.7	178.1	-170.9	175.6	172.5	-156.6	0	110.3	W9 T13 E70	W9-K68 HydrophobicContact CH2-CB 4.36Å; W9-K68 HydrophobicContact CZ2-CB 3.84Å; T13-K68 HydrophobicContact CG2-CD 3.97Å; T13-K68 HydrophobicContact CG2-CG 3.67Å; K68-E70 HydrophobicContact CB-CG 4.3Å; K68-E70 HydrophobicContact CD-CG 3.79Å; K68-E70 WeakPolarHBondContact CD-OE1 3.09Å; K68-E70 VanDerWaalsContact CE-OE1 3.28Å; K68-E70 WeakPolarHBondContact CE-OE1 3.21Å; K68-E70 HydrophobicContact CG-CG 3.76Å; K68-E70 IonicContact NZ-OE1 3.92Å; K68-E70 PolarHBondContact NZ-OE1 3.24Å
69	R	82.7	Confident	78.4	Confident	26 Å²	26	47.6 Å²	47.6	10%	0.098	28%	0.279	C	S	.	.			trans	-86.3	119.3	166.7	-60.4	-169.6	89.1	-175.3	16	108.3	E14 V16 Q67 S187 G188 W189 L253	E14-R69 HydrophobicContact CB-CB 4.28Å; E14-R69 HydrophobicContact CB-CG 4.48Å; E14-R69 PolarHBondContact O-N 2.87Å; V16-R69 HydrophobicContact CB-CG 4.44Å; Q67-R69 PolarHBondContact O-N 3.42Å; R69-S187 WeakPolarHBondContact CA-O 3.47Å; R69-G188 PolarHBondContact NE-O 3.5Å; R69-W189 HydrophobicContact CB-CZ2 4.41Å; R69-W189 VanDerWaalsContact CZ-CE3 3.41Å; R69-W189 VanDerWaalsContact NH2-CZ3 3.27Å; R69-L253 PolarHBondContact NH2-O 3.07Å
70	E	80.1	Confident	77.1	Confident	95 Å²	95	48.3 Å²	48.3	44%	0.444	28%	0.28	S	S	.	.			trans	-119.7	145.7	-178.6	-62.9	-165.4	131.3	0	0	110.7	K68 V72 S187 W189	K68-E70 HydrophobicContact CB-CG 4.3Å; K68-E70 HydrophobicContact CD-CG 3.79Å; K68-E70 WeakPolarHBondContact CD-OE1 3.09Å; K68-E70 VanDerWaalsContact CE-OE1 3.28Å; K68-E70 WeakPolarHBondContact CE-OE1 3.21Å; K68-E70 HydrophobicContact CG-CG 3.76Å; K68-E70 IonicContact NZ-OE1 3.92Å; K68-E70 PolarHBondContact NZ-OE1 3.24Å; E70-V72 PolarHBondContact O-N 2.8Å; E70-S187 PolarHBondContact N-O 2.95Å; E70-S187 VanDerWaalsContact N-O 3.15Å; E70-W189 PolarHBondContact O-NE1 3.3Å
71	G	78.9	Confident	76	Confident	36 Å²	36	47.8 Å²	47.8	37%	0.371	28%	0.276	S	S	.	.			trans	-62.8	125.4	174.1	0	0	0	0	0	110.2	K73	G71-K73 PolarHBondContact O-N 3.04Å; G71-K73 VanDerWaalsContact O-N 3.13Å
72	V	78.9	Confident	75.1	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	28%	0.28	C	S	.	.			trans	-79.2	97.1	178.2	179.8	0	0	0	0	108.1	E70 L78 E183 F184 S239 T242 Q243	E70-V72 PolarHBondContact O-N 2.8Å; V72-L78 HydrophobicContact CG1-CD1 3.66Å; V72-L78 HydrophobicContact CG1-CD2 4.42Å; V72-E183 HydrophobicContact CG1-CG 3.67Å; V72-F184 HydrophobicContact CB-CE1 4.28Å; V72-F184 HydrophobicContact CG1-CE1 4.38Å; V72-F184 HydrophobicContact CG2-CD1 3.87Å; V72-F184 HydrophobicContact CG2-CE1 4Å; V72-S239 PolarHBondContact O-OG 3.08Å; V72-T242 HydrophobicContact CB-CG2 4.19Å; V72-T242 HydrophobicContact CG2-CG2 3.95Å; V72-T242 PolarHBondContact N-OG1 3.28Å; V72-Q243 PolarHBondContact O-NE2 2.93Å
73	K	66.5	Low	74.8	Confident	155 Å²	155	48.9 Å²	48.9	67%	0.674	28%	0.281	S	S	*	.			trans	-100.4	88.5	178.5	-65.7	-171.2	-179.4	-162.6	0	109.9	G71 Q243	G71-K73 PolarHBondContact O-N 3.04Å; G71-K73 VanDerWaalsContact O-N 3.13Å; K73-Q243 VanDerWaalsContact CE-OE1 3.29Å; K73-Q243 HydrophobicContact CG-CG 4.47Å
74	S	54.6	Low	74.7	Confident	17 Å²	17	50 Å²	50	12%	0.119	28%	0.282	C	S	.	.			trans	-114.7	8.8	-176.5	-51.3	0	0	0	0	114.8	G76 K77 L78	S74-G76 VanDerWaalsContact C-N 3.26Å; S74-G76 PolarHBondContact O-N 3.09Å; S74-K77 VanDerWaalsContact O-CB 3.23Å; S74-K77 WeakPolarHBondContact O-CB 3.45Å; S74-K77 PolarHBondContact O-N 2.81Å; S74-L78 WeakPolarHBondContact OG-CD1 3.25Å; S74-L78 WeakPolarHBondContact OG-CG 3.38Å
75	G	51.5	Low	74.7	Confident	80 Å²	80	46 Å²	46	83%	0.825	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	42	165.8	0	0	0	0	0	115.1
76	G	53.4	Low	74.5	Confident	68 Å²	68	42.8 Å²	42.8	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	5.7	-179.7	0	0	0	0	0	116.5	S74	S74-G76 VanDerWaalsContact C-N 3.26Å; S74-G76 PolarHBondContact O-N 3.09Å
77	K	67.9	Low	74.4	Confident	121 Å²	121	50.6 Å²	50.6	53%	0.526	29%	0.285	S	S	.	.			trans	-96.1	-11.7	-174.6	-66	-179.8	173.5	-175.6	0	115.7	S74 S79 G176 T177 V178	S74-K77 VanDerWaalsContact O-CB 3.23Å; S74-K77 WeakPolarHBondContact O-CB 3.45Å; S74-K77 PolarHBondContact O-N 2.81Å; K77-S79 PolarHBondContact O-N 2.85Å; K77-G176 WeakPolarHBondContact CB-O 3.38Å; K77-G176 VanDerWaalsContact CD-O 3.23Å; K77-G176 WeakPolarHBondContact CD-O 3.42Å; K77-G176 WeakPolarHBondContact CG-O 3.34Å; K77-T177 CarbonylContact O-C 3.56Å; K77-T177 VanDerWaalsContact O-CA 3.23Å; K77-T177 WeakPolarHBondContact O-CA 3.41Å; K77-V178 PolarHBondContact O-N 3.19Å
78	L	68.9	Low	74.7	Confident	6 Å²	6	49 Å²	49	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.2	177.2	-68.7	156.6	0	0	0	109.3	V72 S74 V178 A180 E183 Q232 I235	V72-L78 HydrophobicContact CG1-CD1 3.66Å; V72-L78 HydrophobicContact CG1-CD2 4.42Å; S74-L78 WeakPolarHBondContact OG-CD1 3.25Å; S74-L78 WeakPolarHBondContact OG-CG 3.38Å; L78-V178 CarbonylContact C-O 3.59Å; L78-V178 VanDerWaalsContact CA-O 3.31Å; L78-V178 WeakPolarHBondContact CA-O 3.49Å; L78-V178 HydrophobicContact CD2-CB 4.3Å; L78-V178 HydrophobicContact CD2-CG1 4.27Å; L78-A180 HydrophobicContact CB-CB 4.38Å; L78-A180 HydrophobicContact CD2-CB 4.43Å; L78-E183 HydrophobicContact CD2-CB 3.65Å; L78-E183 HydrophobicContact CD2-CG 3.93Å; L78-Q232 PolarHBondContact O-NE2 2.76Å; L78-Q232 PolarHBondContact O-OE1 2.69Å; L78-I235 HydrophobicContact CB-CG2 3.33Å; L78-I235 HydrophobicContact CD1-CG2 3.66Å; L78-I235 HydrophobicContact CG-CG2 4.11Å
79	S	70.6	Confident	75.3	Confident	18 Å²	18	48.2 Å²	48.2	13%	0.126	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138.8	173.7	-176.4	0	0	0	0	109.7	K77 M81 V178 A180	K77-S79 PolarHBondContact O-N 2.85Å; S79-M81 VanDerWaalsContact C-N 3.3Å; S79-M81 PolarHBondContact OG-N 2.81Å; S79-M81 PolarHBondContact OG-O 2.85Å; S79-M81 VanDerWaalsContact OG-O 3.08Å; S79-V178 PolarHBondContact N-O 2.87Å; S79-A180 PolarHBondContact O-N 3.49Å
80	L	67.6	Low	75.8	Confident	23 Å²	23	52.5 Å²	52.5	12%	0.12	30%	0.295	C	S	.	.	S	Bend	trans	-76.6	-24.2	166.1	-84	166.5	0	0	0	111.3	P82 M151 A180 I225 A231 I235 V257 L263	L80-P82 VanDerWaalsContact C-CD 3.44Å; L80-P82 WeakPolarHBondContact O-CD 3.18Å; L80-M151 HydrophobicContact CB-SD 4.08Å; L80-A180 HydrophobicContact CD2-CB 4.31Å; L80-A180 HydrophobicContact CG-CB 4.44Å; L80-I225 HydrophobicContact CD1-CD1 3.89Å; L80-A231 HydrophobicContact CD1-CB 3.82Å; L80-I235 HydrophobicContact CB-CD1 3.94Å; L80-I235 HydrophobicContact CD1-CD1 3.81Å; L80-I235 HydrophobicContact CD1-CG1 3.86Å; L80-I235 HydrophobicContact CG-CD1 3.46Å; L80-I235 VanDerWaalsContact CG-CD1 3.46Å; L80-I235 HydrophobicContact CG-CG1 3.84Å; L80-V257 HydrophobicContact CD2-CG1 4.08Å; L80-L263 HydrophobicContact CD1-CB 4.05Å; L80-L263 HydrophobicContact CD1-CD2 3.71Å; L80-L263 HydrophobicContact CD1-CG 4.38Å; L80-L263 HydrophobicContact CD2-CB 4.37Å; L80-L263 HydrophobicContact CD2-CD1 4.07Å; L80-L263 HydrophobicContact CD2-CD2 4.14Å; L80-L263 HydrophobicContact CD2-CG 4.43Å; L80-L263 HydrophobicContact CG-CD2 4.28Å
81	M	73.1	Confident	76.5	Confident	16 Å²	16	52.8 Å²	52.8	8%	0.079	30%	0.296	C	S	.	.			trans	-123.4	68	179.2	-56.7	176.4	-72.6	0	0	108.7	S79 W83 F84 L150 M151 D228	S79-M81 VanDerWaalsContact C-N 3.3Å; S79-M81 PolarHBondContact OG-N 2.81Å; S79-M81 PolarHBondContact OG-O 2.85Å; S79-M81 VanDerWaalsContact OG-O 3.08Å; M81-W83 HydrophobicContact CB-CD2 4.26Å; M81-W83 HydrophobicContact CB-CE3 4.41Å; M81-W83 HydrophobicContact CB-CH2 3.98Å; M81-W83 HydrophobicContact CB-CZ2 3.85Å; M81-W83 HydrophobicContact CB-CZ3 4.27Å; M81-W83 HydrophobicContact CG-CH2 3.76Å; M81-W83 HydrophobicContact CG-CZ2 3.66Å; M81-W83 HydrophobicContact CG-CZ3 4.47Å; M81-W83 PolarHBondContact O-N 3.35Å; M81-W83 VanDerWaalsContact O-N 3.08Å; M81-W83 HydrophobicContact SD-CH2 3.81Å; M81-W83 HydrophobicContact SD-CZ2 4.31Å; M81-W83 HydrophobicContact SD-CZ3 4.39Å; M81-F84 HydrophobicContact CB-CB 3.7Å; M81-F84 WeakPolarHBondContact O-CB 3.46Å; M81-F84 PolarHBondContact O-N 2.95Å; M81-L150 HydrophobicContact SD-CB 4.31Å; M81-L150 HydrophobicContact SD-CD1 4.48Å; M81-M151 HydrophobicContact CG-CG 3.74Å; M81-M151 HydrophobicContact CG-SD 4.26Å; M81-M151 HydrophobicContact SD-CG 4.26Å; M81-D228 HydrophobicContact CE-CB 3.73Å; M81-D228 HydrophobicContact SD-CB 4.05Å
82	P	76.2	Confident	77.3	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.078	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16	-179.5	29.6	-36.5	0	0	0	112	L80 L173 M174 A179	L80-P82 VanDerWaalsContact C-CD 3.44Å; L80-P82 WeakPolarHBondContact O-CD 3.18Å; P82-L173 HydrophobicContact CB-CD2 3.66Å; P82-L173 HydrophobicContact CG-CD2 3.76Å; P82-L173 CarbonylContact O-C 3.56Å; P82-L173 WeakPolarHBondContact O-CA 3.3Å; P82-M174 PolarHBondContact O-N 2.68Å; P82-A179 HydrophobicContact CG-CB 4.37Å
83	W	86	Confident	78	Confident	18 Å²	18	55.1 Å²	55.1	7%	0.068	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3	171.2	46.9	-102.3	0	0	0	114.5	M81 H85 Y105 L106 V107 L150 M151 V154 P171	M81-W83 HydrophobicContact CB-CD2 4.26Å; M81-W83 HydrophobicContact CB-CE3 4.41Å; M81-W83 HydrophobicContact CB-CH2 3.98Å; M81-W83 HydrophobicContact CB-CZ2 3.85Å; M81-W83 HydrophobicContact CB-CZ3 4.27Å; M81-W83 HydrophobicContact CG-CH2 3.76Å; M81-W83 HydrophobicContact CG-CZ2 3.66Å; M81-W83 HydrophobicContact CG-CZ3 4.47Å; M81-W83 PolarHBondContact O-N 3.35Å; M81-W83 VanDerWaalsContact O-N 3.08Å; M81-W83 HydrophobicContact SD-CH2 3.81Å; M81-W83 HydrophobicContact SD-CZ2 4.31Å; M81-W83 HydrophobicContact SD-CZ3 4.39Å; W83-H85 PolarHBondContact O-CD2 2.98Å; W83-H85 VanDerWaalsContact O-CD2 3.29Å; W83-Y105 HydrophobicContact CB-CD2 4.34Å; W83-Y105 HydrophobicContact CB-CE2 3.73Å; W83-Y105 HydrophobicContact CD2-CE2 4.17Å; W83-Y105 AromaticContact CG-CE2 3.72Å; W83-Y105 HydrophobicContact CG-CE2 3.72Å; W83-L106 CarbonylContact O-C 3.48Å; W83-L106 WeakPolarHBondContact O-CA 3.32Å; W83-V107 HydrophobicContact CE3-CB 3.62Å; W83-V107 HydrophobicContact CE3-CG2 3.42Å; W83-V107 VanDerWaalsContact CE3-CG2 3.42Å; W83-V107 HydrophobicContact CZ3-CB 3.6Å; W83-V107 HydrophobicContact CZ3-CG1 4.22Å; W83-V107 HydrophobicContact CZ3-CG2 3.42Å; W83-V107 VanDerWaalsContact CZ3-CG2 3.42Å; W83-V107 PolarHBondContact O-N 3.36Å; W83-L150 HydrophobicContact CH2-CB 3.63Å; W83-L150 HydrophobicContact CZ3-CB 4.13Å; W83-M151 HydrophobicContact CZ2-CG 4.16Å; W83-V154 HydrophobicContact CD2-CG2 4.18Å; W83-V154 HydrophobicContact CE3-CG2 4.06Å; W83-V154 HydrophobicContact CH2-CB 4.27Å; W83-V154 HydrophobicContact CH2-CG2 3.59Å; W83-V154 HydrophobicContact CZ2-CB 3.92Å; W83-V154 HydrophobicContact CZ2-CG1 4.2Å; W83-V154 HydrophobicContact CZ2-CG2 3.68Å; W83-V154 HydrophobicContact CZ3-CG2 3.78Å; W83-P171 HydrophobicContact CB-CB 3.75Å; W83-P171 HydrophobicContact CG-CB 4.31Å
84	F	85.7	Confident	79.4	Confident	44 Å²	44	51.2 Å²	51.2	19%	0.193	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-94.9	117.7	176.7	-179.4	-105.5	0	0	0	110.6	M81 V107 E109 Y117 L150	M81-F84 HydrophobicContact CB-CB 3.7Å; M81-F84 WeakPolarHBondContact O-CB 3.46Å; M81-F84 PolarHBondContact O-N 2.95Å; F84-V107 WeakPolarHBondContact CA-O 3.21Å; F84-V107 HydrophobicContact CD2-CB 4.12Å; F84-V107 HydrophobicContact CD2-CG1 3.9Å; F84-V107 HydrophobicContact CE2-CG1 4.31Å; F84-E109 HydrophobicContact CE2-CG 4.43Å; F84-E109 HydrophobicContact CZ-CG 3.96Å; F84-Y117 AromaticContact CE2-CD1 3.79Å; F84-Y117 HydrophobicContact CE2-CD1 3.79Å; F84-Y117 AromaticContact CE2-CE1 3.9Å; F84-Y117 HydrophobicContact CE2-CE1 3.9Å; F84-Y117 HydrophobicContact CZ-CD1 4.34Å; F84-Y117 HydrophobicContact CZ-CE1 4.04Å; F84-L150 HydrophobicContact CD2-CD1 4.17Å; F84-L150 HydrophobicContact CE2-CD1 4.19Å
85	H	86.7	Confident	81.4	Confident	18 Å²	18	59.5 Å²	59.5	8%	0.083	31%	0.31	C	S	.	.			trans	-103.2	3.2	-173.6	-69.4	-121.1	0	0	0	113.2	W83 I88 V107 K172	W83-H85 PolarHBondContact O-CD2 2.98Å; W83-H85 VanDerWaalsContact O-CD2 3.29Å; H85-I88 HydrophobicContact CB-CD1 3.63Å; H85-I88 HydrophobicContact CB-CG1 4.09Å; H85-I88 HydrophobicContact CB-CG2 4.39Å; H85-V107 PolarHBondContact N-O 2.98Å; H85-K172 PolarHBondContact NE2-O 2.81Å
86	G	83.8	Confident	83.5	Confident	12 Å²	12	58.1 Å²	58.1	12%	0.124	28%	0.283	C	S	.	.			trans	65.1	-137.8	-179.3	0	0	0	0	0	112.9	I88 R108 E109	G86-I88 PolarHBondContact O-N 3.14Å; G86-I88 VanDerWaalsContact O-N 3.1Å; G86-R108 WeakPolarHBondContact O-CA 3.21Å; G86-R108 WeakPolarHBondContact O-CB 3.15Å; G86-E109 PolarHBondContact O-N 2.84Å
87	K	83.6	Confident	85.5	Confident	169 Å²	169	55 Å²	55	74%	0.735	25%	0.251	S	S	*	.	S	Bend	trans	-82.7	81.9	-176.3	-66.1	-179.1	-179.3	177.7	0	111.9	E109	K87-E109 WeakPolarHBondContact CE-OE2 3.19Å; K87-E109 HydrophobicContact CG-CB 4.04Å; K87-E109 VanDerWaalsContact CG-CD 3.45Å; K87-E109 HydrophobicContact CG-CG 4.21Å; K87-E109 VanDerWaalsContact CG-OE2 3.26Å; K87-E109 WeakPolarHBondContact CG-OE2 3.33Å; K87-E109 IonicContact NZ-OE2 3.6Å
88	I	90.4	Very high	86.6	Confident	25 Å²	25	57.1 Å²	57.1	13%	0.128	26%	0.257	C	S	.	.			trans	-115.8	151.2	168.8	62	166.2	0	0	0	111	H85 G86 Q92 A93 L96 L106 R108	H85-I88 HydrophobicContact CB-CD1 3.63Å; H85-I88 HydrophobicContact CB-CG1 4.09Å; H85-I88 HydrophobicContact CB-CG2 4.39Å; G86-I88 PolarHBondContact O-N 3.14Å; G86-I88 VanDerWaalsContact O-N 3.1Å; I88-Q92 HydrophobicContact CB-CB 4.14Å; I88-A93 HydrophobicContact CD1-CB 3.91Å; I88-L96 HydrophobicContact CD1-CD1 3.77Å; I88-L106 HydrophobicContact CD1-CD1 4.06Å; I88-L106 HydrophobicContact CD1-CD2 4.45Å; I88-R108 HydrophobicContact CD1-CB 4.31Å; I88-R108 HydrophobicContact CG1-CB 3.65Å; I88-R108 HydrophobicContact CG1-CG 4.43Å; I88-R108 PolarHBondContact O-NH1 2.92Å
89	T	93.6	Very high	87.8	Confident	53 Å²	53	61.1 Å²	61.1	33%	0.325	28%	0.283	S	S	.	.			trans	-73.5	165.7	177.3	81.6	0	0	0	0	111.5	E91 Q92 A93	T89-E91 VanDerWaalsContact C-N 3.27Å; T89-E91 WeakPolarHBondContact CB-OE2 3.37Å; T89-E91 PolarHBondContact O-N 3.06Å; T89-E91 PolarHBondContact OG1-N 2.81Å; T89-E91 PolarHBondContact OG1-OE2 2.87Å; T89-Q92 PolarHBondContact O-N 3.49Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.46Å; T89-Q92 PolarHBondContact OG1-N 3.45Å; T89-A93 PolarHBondContact O-N 3.16Å
90	R	94.4	Very high	88.8	Confident	116 Å²	116	63.7 Å²	63.7	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-56.3	-44.9	175.2	-173	-174.6	174.1	131.3	1.6	111.1	A93 E94 H129	R90-A93 WeakPolarHBondContact O-CB 3.41Å; R90-A93 PolarHBondContact O-N 3.16Å; R90-E94 IonicContact CZ-OE1 3.98Å; R90-E94 IonicContact NE-OE1 3.66Å; R90-E94 PolarHBondContact NE-OE1 2.87Å; R90-E94 IonicContact NH2-OE1 3.9Å; R90-E94 WeakPolarHBondContact O-CG 3.09Å; R90-E94 PolarHBondContact O-N 3.2Å; R90-H129 WeakPolarHBondContact CG-CE1 3.24Å; R90-H129 PolarHBondContact NE-NE2 2.93Å; R90-H129 PolarHBondContact NH2-CD2 2.86Å; R90-H129 VanDerWaalsContact NH2-CD2 3.31Å
91	E	94.9	Very high	90.1	Very high	100 Å²	100	66.4 Å²	66.4	47%	0.467	31%	0.311	S	S	.	.	H	α-helix	trans	-69.2	-36.2	-177.3	-54.3	70.9	-152.2	0	0	111.4	T89 R95	T89-E91 VanDerWaalsContact C-N 3.27Å; T89-E91 WeakPolarHBondContact CB-OE2 3.37Å; T89-E91 PolarHBondContact O-N 3.06Å; T89-E91 PolarHBondContact OG1-N 2.81Å; T89-E91 PolarHBondContact OG1-OE2 2.87Å; E91-R95 VanDerWaalsContact O-CG 3.3Å; E91-R95 WeakPolarHBondContact O-CG 3.43Å; E91-R95 PolarHBondContact O-N 3.15Å; E91-R95 VanDerWaalsContact O-N 3.07Å
92	Q	94.6	Very high	91.3	Very high	87 Å²	87	69.1 Å²	69.1	41%	0.407	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-42.9	173.4	-72.5	174.2	-33	0	0	111.2	I88 T89 R95 L96	I88-Q92 HydrophobicContact CB-CB 4.14Å; T89-Q92 PolarHBondContact O-N 3.49Å; T89-Q92 WeakPolarHBondContact OG1-CG 3.46Å; T89-Q92 PolarHBondContact OG1-N 3.45Å; Q92-R95 PolarHBondContact O-N 3.28Å; Q92-L96 VanDerWaalsContact O-CG 3.32Å; Q92-L96 WeakPolarHBondContact O-CG 3.35Å; Q92-L96 PolarHBondContact O-N 2.63Å
93	A	94.8	Very high	92.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-44.4	175.9	0	0	0	0	0	112.1	I88 T89 R90 R95 L96 L97 L106	I88-A93 HydrophobicContact CD1-CB 3.91Å; T89-A93 PolarHBondContact O-N 3.16Å; R90-A93 WeakPolarHBondContact O-CB 3.41Å; R90-A93 PolarHBondContact O-N 3.16Å; A93-R95 VanDerWaalsContact C-N 3.31Å; A93-R95 PolarHBondContact O-N 2.97Å; A93-L96 PolarHBondContact O-N 3.5Å; A93-L96 VanDerWaalsContact O-N 3.14Å; A93-L97 WeakPolarHBondContact O-CG 3.48Å; A93-L97 PolarHBondContact O-N 2.81Å; A93-L106 HydrophobicContact CB-CD1 3.95Å; A93-L106 HydrophobicContact CB-CD2 4.27Å
94	E	96.1	Very high	92.6	Very high	72 Å²	72	68.1 Å²	68.1	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-39.8	176.6	-72	172.2	-177.5	0	0	112.1	R90 L97 Y98 V127 H129	R90-E94 IonicContact CZ-OE1 3.98Å; R90-E94 IonicContact NE-OE1 3.66Å; R90-E94 PolarHBondContact NE-OE1 2.87Å; R90-E94 IonicContact NH2-OE1 3.9Å; R90-E94 WeakPolarHBondContact O-CG 3.09Å; R90-E94 PolarHBondContact O-N 3.2Å; E94-L97 PolarHBondContact O-N 3.36Å; E94-Y98 PolarHBondContact O-N 2.99Å; E94-V127 HydrophobicContact CG-CB 3.99Å; E94-V127 HydrophobicContact CG-CG1 4.1Å; E94-V127 HydrophobicContact CG-CG2 4.28Å; E94-H129 IonicContact OE1-CD2 3.9Å; E94-H129 IonicContact OE1-CE1 2.66Å; E94-H129 IonicContact OE1-NE2 3.51Å; E94-H129 PolarHBondContact OE1-NE2 2.86Å
95	R	95.5	Very high	93.1	Very high	192 Å²	192	66.7 Å²	66.7	73%	0.725	32%	0.317	S	S	*	.	H	α-helix	trans	-65.5	-39.4	173.6	-71.2	173.2	-170.3	176.7	4.1	112.8	E91 Q92 A93 L97 Y98	E91-R95 VanDerWaalsContact O-CG 3.3Å; E91-R95 WeakPolarHBondContact O-CG 3.43Å; E91-R95 PolarHBondContact O-N 3.15Å; E91-R95 VanDerWaalsContact O-N 3.07Å; Q92-R95 PolarHBondContact O-N 3.28Å; A93-R95 VanDerWaalsContact C-N 3.31Å; A93-R95 PolarHBondContact O-N 2.97Å; R95-L97 VanDerWaalsContact C-N 3.3Å; R95-L97 PolarHBondContact O-N 2.92Å; R95-Y98 WeakPolarHBondContact O-CB 3.46Å; R95-Y98 PolarHBondContact O-N 3.18Å
96	L	94.8	Very high	93.6	Very high	50 Å²	50	65.8 Å²	65.8	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-69.4	-30.1	-179.9	-72.9	168.4	0	0	0	112.6	I88 Q92 A93 Y98 L106 K172	I88-L96 HydrophobicContact CD1-CD1 3.77Å; Q92-L96 VanDerWaalsContact O-CG 3.32Å; Q92-L96 WeakPolarHBondContact O-CG 3.35Å; Q92-L96 PolarHBondContact O-N 2.63Å; A93-L96 PolarHBondContact O-N 3.5Å; A93-L96 VanDerWaalsContact O-N 3.14Å; L96-Y98 PolarHBondContact O-N 3.46Å; L96-L106 HydrophobicContact CB-CD2 3.95Å; L96-L106 HydrophobicContact CD1-CD2 4.28Å; L96-K172 HydrophobicContact CB-CG 4.46Å; L96-K172 VanDerWaalsContact O-CD 3.29Å; L96-K172 WeakPolarHBondContact O-CD 3.44Å; L96-K172 WeakPolarHBondContact O-CE 3.46Å; L96-K172 PolarHBondContact O-NZ 2.66Å
97	L	95.6	Very high	94	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6	175.2	-66	173	0	0	0	113.3	A93 E94 R95 P99 L104 L106 C120 V127 K172	A93-L97 WeakPolarHBondContact O-CG 3.48Å; A93-L97 PolarHBondContact O-N 2.81Å; E94-L97 PolarHBondContact O-N 3.36Å; R95-L97 VanDerWaalsContact C-N 3.3Å; R95-L97 PolarHBondContact O-N 2.92Å; L97-P99 CarbonylContact O-C 3.6Å; L97-P99 VanDerWaalsContact O-O 3.07Å; L97-L104 HydrophobicContact CB-CD2 4.45Å; L97-L104 HydrophobicContact CD2-CB 4.38Å; L97-L104 HydrophobicContact CD2-CD2 3.81Å; L97-L104 HydrophobicContact CD2-CG 3.68Å; L97-L106 HydrophobicContact CD1-CD2 4.4Å; L97-L106 HydrophobicContact CD1-CG 4.34Å; L97-L106 HydrophobicContact CD2-CD2 4.15Å; L97-L106 HydrophobicContact CD2-CG 4.34Å; L97-L106 HydrophobicContact CG-CD2 3.96Å; L97-L106 HydrophobicContact CG-CG 4.34Å; L97-C120 HydrophobicContact CD1-CB 3.81Å; L97-V127 HydrophobicContact CB-CG2 4.07Å; L97-V127 HydrophobicContact CD1-CG1 3.54Å; L97-V127 HydrophobicContact CD1-CG2 4.14Å; L97-K172 HydrophobicContact CD2-CB 3.94Å; L97-K172 HydrophobicContact CD2-CG 4.46Å
98	Y	91.6	Very high	94.4	Very high	167 Å²	167	57.7 Å²	57.7	66%	0.655	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-89.5	142	168	-170	-90.4	0	0	0	110.6	E94 R95 L96 P100	E94-Y98 PolarHBondContact O-N 2.99Å; R95-Y98 WeakPolarHBondContact O-CB 3.46Å; R95-Y98 PolarHBondContact O-N 3.18Å; L96-Y98 PolarHBondContact O-N 3.46Å; Y98-P100 HydrophobicContact CD2-CG 4.3Å; Y98-P100 HydrophobicContact CE2-CG 4.45Å
99	P	93.3	Very high	94.3	Very high	89 Å²	89	59.5 Å²	59.5	58%	0.578	28%	0.282	S	S	*	.	S	Bend	cis	-68	151.9	-4	29.6	-35.4	0	0	0	112.9	L97 E101	L97-P99 CarbonylContact O-C 3.6Å; L97-P99 VanDerWaalsContact O-O 3.07Å; P99-E101 PolarHBondContact O-N 2.78Å
100	P	92.1	Very high	94	Very high	72 Å²	72	57.7 Å²	57.7	47%	0.468	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-61.1	127.5	-177.1	-20.7	32.5	0	0	0	111.4	Y98	Y98-P100 HydrophobicContact CD2-CG 4.3Å; Y98-P100 HydrophobicContact CE2-CG 4.45Å
101	E	96.4	Very high	93.4	Very high	80 Å²	80	55.8 Å²	55.8	37%	0.374	27%	0.273	S	S	.	.			trans	-139.6	114.5	179.6	179.8	176.9	-172.1	0	0	107	P99 G103 L104 S122 K170	P99-E101 PolarHBondContact O-N 2.78Å; E101-G103 PolarHBondContact O-N 3.05Å; E101-L104 HydrophobicContact CB-CB 3.96Å; E101-L104 HydrophobicContact CB-CD2 4.35Å; E101-L104 HydrophobicContact CG-CB 4.38Å; E101-L104 WeakPolarHBondContact O-CB 3.43Å; E101-L104 PolarHBondContact O-N 3.26Å; E101-S122 WeakPolarHBondContact O-CB 3.34Å; E101-K170 WeakPolarHBondContact OE1-CD 3.31Å; E101-K170 IonicContact OE1-NZ 3.97Å; E101-K170 PolarHBondContact OE1-NZ 2.74Å; E101-K170 IonicContact OE2-NZ 2.92Å; E101-K170 PolarHBondContact OE2-NZ 3.09Å
102	T	96.5	Very high	92.7	Very high	74 Å²	74	57 Å²	57	45%	0.454	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	126.6	-175.4	-62.5	0	0	0	0	110.5	L104 S122 T166	T102-L104 VanDerWaalsContact C-N 3.34Å; T102-S122 CarbonylContact C-O 3.58Å; T102-S122 WeakPolarHBondContact CA-O 3.5Å; T102-T166 HydrophobicContact CG2-CG2 4.14Å
103	G	93.4	Very high	92.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	4.3	-176.2	0	0	0	0	0	114.5	E101 S122 I169 K170	E101-G103 PolarHBondContact O-N 3.05Å; G103-S122 PolarHBondContact N-O 2.74Å; G103-I169 PolarHBondContact O-N 3.23Å; G103-K170 PolarHBondContact O-N 3.31Å
104	L	96.7	Very high	91.5	Very high	9 Å²	9	64.5 Å²	64.5	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.2	167.3	-175.2	74	0	0	0	109.4	L97 E101 T102 S122 K170 K172	L97-L104 HydrophobicContact CB-CD2 4.45Å; L97-L104 HydrophobicContact CD2-CB 4.38Å; L97-L104 HydrophobicContact CD2-CD2 3.81Å; L97-L104 HydrophobicContact CD2-CG 3.68Å; E101-L104 HydrophobicContact CB-CB 3.96Å; E101-L104 HydrophobicContact CB-CD2 4.35Å; E101-L104 HydrophobicContact CG-CB 4.38Å; E101-L104 WeakPolarHBondContact O-CB 3.43Å; E101-L104 PolarHBondContact O-N 3.26Å; T102-L104 VanDerWaalsContact C-N 3.34Å; L104-S122 PolarHBondContact O-N 3.34Å; L104-K170 CarbonylContact C-O 3.59Å; L104-K170 VanDerWaalsContact CA-O 3.28Å; L104-K170 WeakPolarHBondContact CA-O 3.34Å; L104-K170 HydrophobicContact CD1-CB 4.16Å; L104-K170 HydrophobicContact CD1-CD 4.05Å; L104-K170 HydrophobicContact CD1-CG 4.02Å; L104-K172 HydrophobicContact CD1-CB 4.11Å; L104-K172 HydrophobicContact CG-CB 4.3Å
105	Y	97.2	Very high	90.6	Very high	13 Å²	13	63.6 Å²	63.6	5%	0.051	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.8	-173.8	73.5	-87.1	0	0	0	114.1	W83 L119 C120 V154 L168 K170 P171 K172	W83-Y105 HydrophobicContact CB-CD2 4.34Å; W83-Y105 HydrophobicContact CB-CE2 3.73Å; W83-Y105 HydrophobicContact CD2-CE2 4.17Å; W83-Y105 AromaticContact CG-CE2 3.72Å; W83-Y105 HydrophobicContact CG-CE2 3.72Å; Y105-L119 HydrophobicContact CD2-CD1 4.11Å; Y105-C120 CarbonylContact C-O 3.58Å; Y105-C120 WeakPolarHBondContact CA-O 3.33Å; Y105-C120 WeakPolarHBondContact CB-O 3.42Å; Y105-V154 HydrophobicContact CE2-CG1 3.74Å; Y105-V154 HydrophobicContact CE2-CG2 4.38Å; Y105-V154 VanDerWaalsContact OH-CG1 3.28Å; Y105-V154 WeakPolarHBondContact OH-CG1 3.14Å; Y105-L168 HydrophobicContact CD1-CB 3.69Å; Y105-L168 HydrophobicContact CD1-CD1 4.49Å; Y105-L168 HydrophobicContact CD1-CD2 4.07Å; Y105-L168 HydrophobicContact CD1-CG 4.29Å; Y105-L168 HydrophobicContact CD2-CD1 4.15Å; Y105-L168 HydrophobicContact CD2-CD2 4.38Å; Y105-L168 HydrophobicContact CE1-CB 3.7Å; Y105-L168 HydrophobicContact CE2-CD1 4.19Å; Y105-L168 HydrophobicContact CG-CB 4.24Å; Y105-L168 HydrophobicContact CG-CD1 4.32Å; Y105-L168 HydrophobicContact CG-CD2 3.83Å; Y105-L168 HydrophobicContact CG-CG 4.35Å; Y105-K170 WeakPolarHBondContact CD1-O 3.11Å; Y105-K170 VanDerWaalsContact CE1-C 3.43Å; Y105-K170 PolarHBondContact N-O 2.79Å; Y105-P171 HydrophobicContact CE1-CB 4.08Å; Y105-P171 HydrophobicContact CE2-CB 4.37Å; Y105-K172 WeakPolarHBondContact O-CB 3.41Å; Y105-K172 PolarHBondContact O-N 2.8Å
106	L	95.6	Very high	90.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	162.4	164.5	65.2	83.5	0	0	0	110.8	W83 I88 A93 L96 L97 R108 C120 K172	W83-L106 CarbonylContact O-C 3.48Å; W83-L106 WeakPolarHBondContact O-CA 3.32Å; I88-L106 HydrophobicContact CD1-CD1 4.06Å; I88-L106 HydrophobicContact CD1-CD2 4.45Å; A93-L106 HydrophobicContact CB-CD1 3.95Å; A93-L106 HydrophobicContact CB-CD2 4.27Å; L96-L106 HydrophobicContact CB-CD2 3.95Å; L96-L106 HydrophobicContact CD1-CD2 4.28Å; L97-L106 HydrophobicContact CD1-CD2 4.4Å; L97-L106 HydrophobicContact CD1-CG 4.34Å; L97-L106 HydrophobicContact CD2-CD2 4.15Å; L97-L106 HydrophobicContact CD2-CG 4.34Å; L97-L106 HydrophobicContact CG-CD2 3.96Å; L97-L106 HydrophobicContact CG-CG 4.34Å; L106-R108 HydrophobicContact CD1-CB 4.31Å; L106-C120 HydrophobicContact CD1-CB 4.02Å; L106-C120 HydrophobicContact CG-CB 4.17Å; L106-C120 PolarHBondContact N-O 2.79Å; L106-C120 PolarHBondContact O-N 2.77Å; L106-K172 HydrophobicContact CB-CB 4.27Å; L106-K172 HydrophobicContact CD2-CG 4.36Å
107	V	93.8	Very high	90.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.6	171.3	-178.6	0	0	0	0	109.5	W83 F84 H85 T118 L119 I132 L150 V154	W83-V107 HydrophobicContact CE3-CB 3.62Å; W83-V107 HydrophobicContact CE3-CG2 3.42Å; W83-V107 VanDerWaalsContact CE3-CG2 3.42Å; W83-V107 HydrophobicContact CZ3-CB 3.6Å; W83-V107 HydrophobicContact CZ3-CG1 4.22Å; W83-V107 HydrophobicContact CZ3-CG2 3.42Å; W83-V107 VanDerWaalsContact CZ3-CG2 3.42Å; W83-V107 PolarHBondContact O-N 3.36Å; F84-V107 WeakPolarHBondContact CA-O 3.21Å; F84-V107 HydrophobicContact CD2-CB 4.12Å; F84-V107 HydrophobicContact CD2-CG1 3.9Å; F84-V107 HydrophobicContact CE2-CG1 4.31Å; H85-V107 PolarHBondContact N-O 2.98Å; V107-T118 WeakPolarHBondContact CA-O 3.33Å; V107-L119 HydrophobicContact CG2-CD1 3.8Å; V107-I132 HydrophobicContact CG1-CD1 4.11Å; V107-L150 HydrophobicContact CG1-CD1 4.3Å; V107-L150 HydrophobicContact CG1-CD2 4.25Å; V107-V154 HydrophobicContact CG2-CG2 4.15Å
108	R	92	Very high	90.3	Very high	11 Å²	11	56 Å²	56	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.2	176.4	65.3	-174.5	-176.3	94.1	3.9	110.9	G86 I88 L106 Y117 T118	G86-R108 WeakPolarHBondContact O-CA 3.21Å; G86-R108 WeakPolarHBondContact O-CB 3.15Å; I88-R108 HydrophobicContact CD1-CB 4.31Å; I88-R108 HydrophobicContact CG1-CB 3.65Å; I88-R108 HydrophobicContact CG1-CG 4.43Å; I88-R108 PolarHBondContact O-NH1 2.92Å; L106-R108 HydrophobicContact CD1-CB 4.31Å; R108-Y117 CarbonylContact O-C 3.51Å; R108-Y117 WeakPolarHBondContact O-CA 3.22Å; R108-T118 PolarHBondContact N-O 2.85Å; R108-T118 PolarHBondContact O-N 3.23Å
109	E	88.4	Confident	90.6	Very high	63 Å²	63	48 Å²	48	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.8	166.7	-69.9	-175.7	-141.7	0	0	110.3	F84 G86 K87 T111 Y117	F84-E109 HydrophobicContact CE2-CG 4.43Å; F84-E109 HydrophobicContact CZ-CG 3.96Å; G86-E109 PolarHBondContact O-N 2.84Å; K87-E109 WeakPolarHBondContact CE-OE2 3.19Å; K87-E109 HydrophobicContact CG-CB 4.04Å; K87-E109 VanDerWaalsContact CG-CD 3.45Å; K87-E109 HydrophobicContact CG-CG 4.21Å; K87-E109 VanDerWaalsContact CG-OE2 3.26Å; K87-E109 WeakPolarHBondContact CG-OE2 3.33Å; K87-E109 IonicContact NZ-OE2 3.6Å; E109-T111 PolarHBondContact O-N 3.5Å; E109-Y117 HydrophobicContact CG-CD1 4.17Å; E109-Y117 HydrophobicContact CG-CE1 4.07Å
110	S	85.5	Confident	90.8	Very high	14 Å²	14	43.8 Å²	43.8	10%	0.098	25%	0.246	C	C	.	.			trans	-70.1	122	176.7	-179.9	0	0	0	0	109.9	N112 Y113 D116	S110-N112 VanDerWaalsContact C-N 3.31Å; S110-N112 PolarHBondContact OG-N 3.37Å; S110-Y113 WeakPolarHBondContact CB-O 3.42Å; S110-Y113 PolarHBondContact OG-N 3.23Å; S110-D116 VanDerWaalsContact CB-O 3.23Å; S110-D116 WeakPolarHBondContact CB-O 3.43Å; S110-D116 PolarHBondContact N-O 3.42Å
111	T	81.8	Confident	91.1	Very high	77 Å²	77	40.4 Å²	40.4	47%	0.472	22%	0.224	S	C	.	.	S	Bend	trans	-75.9	-23.3	174.6	50.2	0	0	0	0	112.4	E109	E109-T111 PolarHBondContact O-N 3.5Å
112	N	81.8	Confident	91.1	Very high	125 Å²	125	36.6 Å²	36.6	67%	0.668	21%	0.207	S	C	*	.	S	Bend	trans	-97.7	-24.8	-173.3	-63	-6.6	0	0	0	112.4	S110	S110-N112 VanDerWaalsContact C-N 3.31Å; S110-N112 PolarHBondContact OG-N 3.37Å
113	Y	84.3	Confident	91.1	Very high	117 Å²	117	33.6 Å²	33.6	46%	0.459	19%	0.189	S	C	.	.	S	Bend	trans	-130.7	92.3	-177.8	-59.8	-79.7	0	0	0	109.2	S110 G115 D116 R131	S110-Y113 WeakPolarHBondContact CB-O 3.42Å; S110-Y113 PolarHBondContact OG-N 3.23Å; Y113-G115 PolarHBondContact O-N 2.74Å; Y113-D116 WeakPolarHBondContact CB-OD2 3.22Å; Y113-D116 WeakPolarHBondContact O-CB 3.47Å; Y113-D116 PolarHBondContact O-N 3.14Å; Y113-R131 VanDerWaalsContact CD1-NH2 3.34Å; Y113-R131 VanDerWaalsContact CG-CZ 3.48Å
114	P	79.8	Confident	91	Very high	127 Å²	127	41.9 Å²	41.9	83%	0.825	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	125.4	-179.3	-26.2	34.8	0	0	0	112
115	G	77.6	Confident	90.6	Very high	53 Å²	53	44 Å²	44	55%	0.546	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.6	-19.3	-177.4	0	0	0	0	0	114.5	Y113	Y113-G115 PolarHBondContact O-N 2.74Å
116	D	90	Very high	90.5	Very high	14 Å²	14	50.2 Å²	50.2	8%	0.075	28%	0.279	C	S	.	.			trans	-89.8	169.9	173.9	-74.1	-9.9	0	0	0	112.1	S110 Y113 R131 I132 Y134	S110-D116 VanDerWaalsContact CB-O 3.23Å; S110-D116 WeakPolarHBondContact CB-O 3.43Å; S110-D116 PolarHBondContact N-O 3.42Å; Y113-D116 WeakPolarHBondContact CB-OD2 3.22Å; Y113-D116 WeakPolarHBondContact O-CB 3.47Å; Y113-D116 PolarHBondContact O-N 3.14Å; D116-R131 IonicContact OD2-CZ 3.82Å; D116-R131 IonicContact OD2-NE 3.37Å; D116-R131 PolarHBondContact OD2-NE 3.3Å; D116-R131 IonicContact OD2-NH2 3.83Å; D116-R131 PolarHBondContact OD2-NH2 3.45Å; D116-I132 VanDerWaalsContact CB-O 3.32Å; D116-I132 WeakPolarHBondContact CB-O 3.34Å; D116-Y134 PolarHBondContact OD1-N 2.98Å
117	Y	93.5	Very high	90.5	Very high	60 Å²	60	51.5 Å²	51.5	24%	0.235	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	174.1	174.6	-53.8	-84.6	0	0	0	111.5	F84 R108 E109 I132 L139 L150	F84-Y117 AromaticContact CE2-CD1 3.79Å; F84-Y117 HydrophobicContact CE2-CD1 3.79Å; F84-Y117 AromaticContact CE2-CE1 3.9Å; F84-Y117 HydrophobicContact CE2-CE1 3.9Å; F84-Y117 HydrophobicContact CZ-CD1 4.34Å; F84-Y117 HydrophobicContact CZ-CE1 4.04Å; R108-Y117 CarbonylContact O-C 3.51Å; R108-Y117 WeakPolarHBondContact O-CA 3.22Å; E109-Y117 HydrophobicContact CG-CD1 4.17Å; E109-Y117 HydrophobicContact CG-CE1 4.07Å; Y117-I132 PolarHBondContact N-O 2.98Å; Y117-I132 PolarHBondContact O-N 3.49Å; Y117-L139 HydrophobicContact CD2-CD2 3.82Å; Y117-L139 HydrophobicContact CE2-CD2 3.98Å; Y117-L150 HydrophobicContact CD1-CD1 4Å; Y117-L150 HydrophobicContact CD2-CD1 4.24Å; Y117-L150 HydrophobicContact CD2-CD2 3.96Å; Y117-L150 HydrophobicContact CD2-CG 4.4Å; Y117-L150 HydrophobicContact CE1-CD1 4.04Å; Y117-L150 HydrophobicContact CE2-CD1 4.29Å; Y117-L150 HydrophobicContact CG-CD1 4.09Å; Y117-L150 HydrophobicContact CG-CD2 4.05Å
118	T	95.6	Very high	90.7	Very high	11 Å²	11	55.3 Å²	55.3	7%	0.067	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	122.8	174.7	-55.1	0	0	0	0	109.8	V107 R108 H129 Y130	V107-T118 WeakPolarHBondContact CA-O 3.33Å; R108-T118 PolarHBondContact N-O 2.85Å; R108-T118 PolarHBondContact O-N 3.23Å; T118-H129 HydrophobicContact CG2-CB 4.02Å; T118-Y130 CarbonylContact C-O 3.59Å; T118-Y130 VanDerWaalsContact CA-O 3.26Å; T118-Y130 WeakPolarHBondContact CA-O 3.45Å; T118-Y130 WeakPolarHBondContact CG2-O 3.42Å
119	L	97.2	Very high	90.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.1	169.3	174	64.5	0	0	0	108.7	Y105 V107 V121 Y130 I132 I141 L164 L168	Y105-L119 HydrophobicContact CD2-CD1 4.11Å; V107-L119 HydrophobicContact CG2-CD1 3.8Å; L119-V121 HydrophobicContact CD1-CG2 4.16Å; L119-V121 HydrophobicContact CD2-CG2 4.18Å; L119-V121 HydrophobicContact CG-CG2 3.79Å; L119-Y130 PolarHBondContact N-O 3.3Å; L119-Y130 PolarHBondContact O-N 2.8Å; L119-I132 HydrophobicContact CB-CD1 3.93Å; L119-I132 HydrophobicContact CB-CG1 4.27Å; L119-I141 HydrophobicContact CB-CD1 4.4Å; L119-I141 HydrophobicContact CD2-CD1 3.81Å; L119-L164 HydrophobicContact CD2-CD1 3.73Å; L119-L164 HydrophobicContact CD2-CD2 4.41Å; L119-L168 HydrophobicContact CD1-CD1 4.16Å; L119-L168 HydrophobicContact CD1-CD2 4.11Å; L119-L168 HydrophobicContact CD2-CD1 4.37Å; L119-L168 HydrophobicContact CD2-CD2 4.23Å
120	C	97.6	Very high	91.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.6	179.4	-50.8	0	0	0	0	108.3	L97 Y105 L106 V127 E128 H129	L97-C120 HydrophobicContact CD1-CB 3.81Å; Y105-C120 CarbonylContact C-O 3.58Å; Y105-C120 WeakPolarHBondContact CA-O 3.33Å; Y105-C120 WeakPolarHBondContact CB-O 3.42Å; L106-C120 HydrophobicContact CD1-CB 4.02Å; L106-C120 HydrophobicContact CG-CB 4.17Å; L106-C120 PolarHBondContact N-O 2.79Å; L106-C120 PolarHBondContact O-N 2.77Å; C120-V127 HydrophobicContact CB-CG1 4.23Å; C120-E128 CarbonylContact C-O 3.52Å; C120-E128 WeakPolarHBondContact CA-O 3.43Å; C120-H129 PolarHBondContact SG-ND1 3.16Å
121	V	97.9	Very high	91.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	126.1	-175.4	-170.9	0	0	0	0	109.8	L119 V127 E128 Y130 T166 L168	L119-V121 HydrophobicContact CD1-CG2 4.16Å; L119-V121 HydrophobicContact CD2-CG2 4.18Å; L119-V121 HydrophobicContact CG-CG2 3.79Å; V121-V127 CarbonylContact O-C 3.51Å; V121-V127 WeakPolarHBondContact O-CA 3.4Å; V121-E128 PolarHBondContact N-O 2.86Å; V121-E128 PolarHBondContact O-N 2.86Å; V121-Y130 HydrophobicContact CB-CE2 4.44Å; V121-Y130 HydrophobicContact CG2-CD2 4.25Å; V121-Y130 HydrophobicContact CG2-CE2 4.18Å; V121-T166 HydrophobicContact CG1-CG2 3.94Å; V121-L168 HydrophobicContact CG1-CD2 4.25Å; V121-L168 HydrophobicContact CG2-CD2 3.61Å
122	S	97.6	Very high	92.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.2	170.6	-172.3	0	0	0	0	110	E101 T102 G103 L104 K126	E101-S122 WeakPolarHBondContact O-CB 3.34Å; T102-S122 CarbonylContact C-O 3.58Å; T102-S122 WeakPolarHBondContact CA-O 3.5Å; G103-S122 PolarHBondContact N-O 2.74Å; L104-S122 PolarHBondContact O-N 3.34Å; S122-K126 CarbonylContact C-O 3.5Å; S122-K126 VanDerWaalsContact CA-O 3.25Å; S122-K126 WeakPolarHBondContact CA-O 3.46Å; S122-K126 PolarHBondContact OG-O 2.7Å
123	C	95.9	Very high	93	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132.1	177.7	-166.7	0	0	0	0	109.6	G125 K126 C165 T166	C123-G125 PolarHBondContact O-N 3.36Å; C123-G125 VanDerWaalsContact O-N 3.08Å; C123-K126 PolarHBondContact N-O 3.35Å; C123-K126 PolarHBondContact O-N 2.88Å; C123-C165 HydrophobicContact CB-CB 4.01Å; C123-C165 WeakPolarHBondContact CB-SG 3.48Å; C123-T166 HydrophobicContact CB-CG2 4.08Å
124	E	92.2	Very high	93.1	Very high	174 Å²	174	51.8 Å²	51.8	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	38.4	175.9	-60.1	-173.8	169.5	0	0	114.5	K126	E124-K126 VanDerWaalsContact C-N 3.28Å; E124-K126 PolarHBondContact O-N 2.81Å
125	G	88.1	Confident	93.3	Very high	53 Å²	53	51.1 Å²	51.1	55%	0.546	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	3.7	178.4	0	0	0	0	0	115.1	C123	C123-G125 PolarHBondContact O-N 3.36Å; C123-G125 VanDerWaalsContact O-N 3.08Å
126	K	94.2	Very high	93.4	Very high	144 Å²	144	55.4 Å²	55.4	63%	0.626	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	166.4	173.5	-65.5	179.2	-176	171.8	0	110.7	S122 C123 E124	S122-K126 CarbonylContact C-O 3.5Å; S122-K126 VanDerWaalsContact CA-O 3.25Å; S122-K126 WeakPolarHBondContact CA-O 3.46Å; S122-K126 PolarHBondContact OG-O 2.7Å; C123-K126 PolarHBondContact N-O 3.35Å; C123-K126 PolarHBondContact O-N 2.88Å; E124-K126 VanDerWaalsContact C-N 3.28Å; E124-K126 PolarHBondContact O-N 2.81Å
127	V	96.9	Very high	92.6	Very high	27 Å²	27	56.7 Å²	56.7	16%	0.164	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112.3	171.8	179.1	0	0	0	0	107.9	E94 L97 C120 V121 H129	E94-V127 HydrophobicContact CG-CB 3.99Å; E94-V127 HydrophobicContact CG-CG1 4.1Å; E94-V127 HydrophobicContact CG-CG2 4.28Å; L97-V127 HydrophobicContact CB-CG2 4.07Å; L97-V127 HydrophobicContact CD1-CG1 3.54Å; L97-V127 HydrophobicContact CD1-CG2 4.14Å; C120-V127 HydrophobicContact CB-CG1 4.23Å; V121-V127 CarbonylContact O-C 3.51Å; V121-V127 WeakPolarHBondContact O-CA 3.4Å; V127-H129 PolarHBondContact O-CD2 3.48Å; V127-H129 VanDerWaalsContact O-CD2 3.26Å
128	E	97.4	Very high	92.3	Very high	79 Å²	79	58.6 Å²	58.6	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.2	173.9	-63.3	-56.9	150.6	0	0	110	C120 V121 Y130 C165	C120-E128 CarbonylContact C-O 3.52Å; C120-E128 WeakPolarHBondContact CA-O 3.43Å; V121-E128 PolarHBondContact N-O 2.86Å; V121-E128 PolarHBondContact O-N 2.86Å; E128-Y130 HydrophobicContact CB-CD2 4.47Å; E128-Y130 HydrophobicContact CB-CE2 3.62Å; E128-C165 HydrophobicContact CG-CB 4.12Å
129	H	96.7	Very high	92	Very high	36 Å²	36	58.3 Å²	58.3	17%	0.167	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	110.8	-176.5	-64.5	-106.4	0	0	0	109.9	R90 E94 T118 C120 V127	R90-H129 WeakPolarHBondContact CG-CE1 3.24Å; R90-H129 PolarHBondContact NE-NE2 2.93Å; R90-H129 PolarHBondContact NH2-CD2 2.86Å; R90-H129 VanDerWaalsContact NH2-CD2 3.31Å; E94-H129 IonicContact OE1-CD2 3.9Å; E94-H129 IonicContact OE1-CE1 2.66Å; E94-H129 IonicContact OE1-NE2 3.51Å; E94-H129 PolarHBondContact OE1-NE2 2.86Å; T118-H129 HydrophobicContact CG2-CB 4.02Å; C120-H129 PolarHBondContact SG-ND1 3.16Å; V127-H129 PolarHBondContact O-CD2 3.48Å; V127-H129 VanDerWaalsContact O-CD2 3.26Å
130	Y	96.6	Very high	91.9	Very high	45 Å²	45	58.5 Å²	58.5	18%	0.176	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.5	179.5	-58.9	-89	0	0	0	109.6	T118 L119 V121 E128 I132 I141 L164 C165	T118-Y130 CarbonylContact C-O 3.59Å; T118-Y130 VanDerWaalsContact CA-O 3.26Å; T118-Y130 WeakPolarHBondContact CA-O 3.45Å; T118-Y130 WeakPolarHBondContact CG2-O 3.42Å; L119-Y130 PolarHBondContact N-O 3.3Å; L119-Y130 PolarHBondContact O-N 2.8Å; V121-Y130 HydrophobicContact CB-CE2 4.44Å; V121-Y130 HydrophobicContact CG2-CD2 4.25Å; V121-Y130 HydrophobicContact CG2-CE2 4.18Å; E128-Y130 HydrophobicContact CB-CD2 4.47Å; E128-Y130 HydrophobicContact CB-CE2 3.62Å; Y130-I132 PolarHBondContact O-N 3.37Å; Y130-I141 HydrophobicContact CD1-CG2 4.22Å; Y130-L164 HydrophobicContact CD1-CD2 3.51Å; Y130-L164 HydrophobicContact CD2-CD2 3.8Å; Y130-L164 HydrophobicContact CE1-CD2 3.58Å; Y130-L164 HydrophobicContact CE2-CD2 3.86Å; Y130-L164 HydrophobicContact CG-CD2 3.63Å; Y130-C165 VanDerWaalsContact OH-CB 3.27Å; Y130-C165 WeakPolarHBondContact OH-CB 3.5Å; Y130-C165 PolarHBondContact OH-N 2.74Å; Y130-C165 PolarHBondContact OH-SG 3.3Å; Y130-C165 VanDerWaalsContact OH-SG 3.34Å
131	R	95.2	Very high	91.8	Very high	97 Å²	97	60 Å²	60	37%	0.366	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129	174.1	-178.9	-179	177.9	-168.5	-4.1	108.7	Y113 D116 I133	Y113-R131 VanDerWaalsContact CD1-NH2 3.34Å; Y113-R131 VanDerWaalsContact CG-CZ 3.48Å; D116-R131 IonicContact OD2-CZ 3.82Å; D116-R131 IonicContact OD2-NE 3.37Å; D116-R131 PolarHBondContact OD2-NE 3.3Å; D116-R131 IonicContact OD2-NH2 3.83Å; D116-R131 PolarHBondContact OD2-NH2 3.45Å; R131-I133 HydrophobicContact CG-CG1 4.22Å
132	I	95.6	Very high	91.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.2	169.8	-57.8	162.3	0	0	0	106.9	V107 D116 Y117 L119 Y130 L139 T140 I141 L150 L153	V107-I132 HydrophobicContact CG1-CD1 4.11Å; D116-I132 VanDerWaalsContact CB-O 3.32Å; D116-I132 WeakPolarHBondContact CB-O 3.34Å; Y117-I132 PolarHBondContact N-O 2.98Å; Y117-I132 PolarHBondContact O-N 3.49Å; L119-I132 HydrophobicContact CB-CD1 3.93Å; L119-I132 HydrophobicContact CB-CG1 4.27Å; Y130-I132 PolarHBondContact O-N 3.37Å; I132-L139 HydrophobicContact CG2-CB 3.97Å; I132-L139 HydrophobicContact CG2-CD2 3.75Å; I132-L139 HydrophobicContact CG2-CG 4.39Å; I132-T140 CarbonylContact C-O 3.57Å; I132-T140 WeakPolarHBondContact CA-O 3.39Å; I132-I141 HydrophobicContact CG1-CD1 4.03Å; I132-I141 HydrophobicContact CG1-CG1 3.84Å; I132-L150 HydrophobicContact CD1-CD2 3.78Å; I132-L150 HydrophobicContact CG2-CD2 4.26Å; I132-L153 HydrophobicContact CB-CD1 4.5Å; I132-L153 HydrophobicContact CD1-CD1 4.27Å; I132-L153 HydrophobicContact CD1-CD2 4.15Å; I132-L153 HydrophobicContact CG1-CD1 4.11Å; I132-L153 HydrophobicContact CG2-CD1 3.61Å
133	I	93.5	Very high	91.1	Very high	32 Å²	32	68.7 Å²	68.7	16%	0.164	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127	-177.8	-56.7	169.6	0	0	0	108.6	R131 H135 L139 T140 E143	R131-I133 HydrophobicContact CG-CG1 4.22Å; I133-H135 HydrophobicContact CG2-CB 4.41Å; I133-L139 VanDerWaalsContact O-CA 3.31Å; I133-L139 WeakPolarHBondContact O-CA 3.35Å; I133-T140 HydrophobicContact CB-CG2 4.08Å; I133-T140 PolarHBondContact N-O 2.92Å; I133-T140 PolarHBondContact O-N 3.1Å; I133-T140 VanDerWaalsContact O-N 3.07Å; I133-E143 HydrophobicContact CD1-CG 4.07Å
134	Y	85.9	Confident	90.7	Very high	123 Å²	123	76 Å²	76	48%	0.482	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.9	170.8	-178.7	-109.2	0	0	0	110.4	D116 K138 L139	D116-Y134 PolarHBondContact OD1-N 2.98Å; Y134-K138 CarbonylContact C-O 3.55Å; Y134-K138 WeakPolarHBondContact CA-O 3.41Å; Y134-K138 WeakPolarHBondContact CD2-O 3.45Å; Y134-L139 HydrophobicContact CD2-CD2 3.63Å; Y134-L139 HydrophobicContact CD2-CG 4.06Å; Y134-L139 HydrophobicContact CG-CD2 4.21Å
135	H	83.1	Confident	90.6	Very high	113 Å²	113	71.1 Å²	71.1	52%	0.523	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	132	-178.8	-167.1	69.4	0	0	0	111.7	I133 G137 K138	I133-H135 HydrophobicContact CG2-CB 4.41Å; H135-G137 PolarHBondContact O-N 2.9Å; H135-G137 VanDerWaalsContact O-N 3.16Å; H135-K138 PolarHBondContact N-O 3.09Å; H135-K138 PolarHBondContact O-N 2.84Å
136	N	80.6	Confident	90.8	Very high	144 Å²	144	73.8 Å²	73.8	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	37.8	179.3	-64.8	-23.4	0	0	0	115	K138	N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 2.86Å
137	G	74.3	Confident	90.4	Very high	40 Å²	40	67.8 Å²	67.8	41%	0.412	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	10.9	-179.9	0	0	0	0	0	114.7	H135	H135-G137 PolarHBondContact O-N 2.9Å; H135-G137 VanDerWaalsContact O-N 3.16Å
138	K	86.2	Confident	89.5	Confident	101 Å²	101	72.8 Å²	72.8	44%	0.439	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	160.2	176.9	-61.6	-163.5	178.6	-170	0	111.6	Y134 H135 N136 Y146 F147	Y134-K138 CarbonylContact C-O 3.55Å; Y134-K138 WeakPolarHBondContact CA-O 3.41Å; Y134-K138 WeakPolarHBondContact CD2-O 3.45Å; H135-K138 PolarHBondContact N-O 3.09Å; H135-K138 PolarHBondContact O-N 2.84Å; N136-K138 VanDerWaalsContact C-N 3.3Å; N136-K138 PolarHBondContact O-N 2.86Å; K138-Y146 HydrophobicContact CB-CD1 4.14Å; K138-Y146 HydrophobicContact CD-CG 4.44Å; K138-F147 CarbonylContact C-O 3.43Å; K138-F147 VanDerWaalsContact CA-O 3.27Å; K138-F147 WeakPolarHBondContact CA-O 3.31Å
139	L	89.5	Confident	88.5	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.3	-179.7	-65.3	162	0	0	0	110	Y117 I132 I133 Y134 Y146 F147 L150 L153	Y117-L139 HydrophobicContact CD2-CD2 3.82Å; Y117-L139 HydrophobicContact CE2-CD2 3.98Å; I132-L139 HydrophobicContact CG2-CB 3.97Å; I132-L139 HydrophobicContact CG2-CD2 3.75Å; I132-L139 HydrophobicContact CG2-CG 4.39Å; I133-L139 VanDerWaalsContact O-CA 3.31Å; I133-L139 WeakPolarHBondContact O-CA 3.35Å; Y134-L139 HydrophobicContact CD2-CD2 3.63Å; Y134-L139 HydrophobicContact CD2-CG 4.06Å; Y134-L139 HydrophobicContact CG-CD2 4.21Å; L139-Y146 CarbonylContact O-C 3.53Å; L139-Y146 WeakPolarHBondContact O-CA 3.26Å; L139-F147 HydrophobicContact CB-CB 4.48Å; L139-F147 PolarHBondContact N-O 2.89Å; L139-F147 WeakPolarHBondContact O-CD2 3.27Å; L139-F147 PolarHBondContact O-N 3.14Å; L139-L150 HydrophobicContact CD1-CB 4.47Å; L139-L150 HydrophobicContact CD1-CD2 3.91Å; L139-L150 HydrophobicContact CD1-CG 3.88Å; L139-L153 HydrophobicContact CB-CD1 4.2Å
140	T	94.7	Very high	87.9	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155	176.4	-178.1	0	0	0	0	110.8	I132 I133 D142 E143 E145 Y146	I132-T140 CarbonylContact C-O 3.57Å; I132-T140 WeakPolarHBondContact CA-O 3.39Å; I133-T140 HydrophobicContact CB-CG2 4.08Å; I133-T140 PolarHBondContact N-O 2.92Å; I133-T140 PolarHBondContact O-N 3.1Å; I133-T140 VanDerWaalsContact O-N 3.07Å; T140-D142 PolarHBondContact OG1-N 3.44Å; T140-D142 PolarHBondContact OG1-OD1 3.38Å; T140-E143 HydrophobicContact CG2-CG 4.24Å; T140-E143 WeakPolarHBondContact OG1-CA 3.45Å; T140-E143 PolarHBondContact OG1-N 3.1Å; T140-E145 WeakPolarHBondContact CB-O 3.44Å; T140-E145 PolarHBondContact OG1-O 3.34Å; T140-Y146 HydrophobicContact CG2-CD1 4.02Å; T140-Y146 HydrophobicContact CG2-CE1 3.68Å
141	I	95.5	Very high	87.1	Confident	31 Å²	31	66.6 Å²	66.6	16%	0.159	32%	0.316	C	S	.	.	S	Bend	trans	-106.2	-35.8	170.3	-65.2	-175.3	0	0	0	111	L119 Y130 I132 L153 Y157 L164	L119-I141 HydrophobicContact CB-CD1 4.4Å; L119-I141 HydrophobicContact CD2-CD1 3.81Å; Y130-I141 HydrophobicContact CD1-CG2 4.22Å; I132-I141 HydrophobicContact CG1-CD1 4.03Å; I132-I141 HydrophobicContact CG1-CG1 3.84Å; I141-L153 HydrophobicContact CD1-CD2 4.22Å; I141-L153 HydrophobicContact CG1-CD1 4.24Å; I141-Y157 HydrophobicContact CB-CE2 4.48Å; I141-Y157 HydrophobicContact CD1-CD2 4.14Å; I141-Y157 HydrophobicContact CD1-CE2 3.55Å; I141-Y157 HydrophobicContact CG1-CE2 4.1Å; I141-L164 HydrophobicContact CD1-CD2 4.26Å
142	D	90.7	Very high	86.5	Confident	55 Å²	55	64 Å²	64	29%	0.294	31%	0.308	S	S	.	.	S	Bend	trans	-109.4	-7.1	-170.5	51.1	22.6	0	0	0	114.2	T140 E144 E145	T140-D142 PolarHBondContact OG1-N 3.44Å; T140-D142 PolarHBondContact OG1-OD1 3.38Å; D142-E144 PolarHBondContact O-N 3.37Å; D142-E144 PolarHBondContact OD1-N 2.65Å; D142-E145 PolarHBondContact OD1-N 2.9Å
143	E	89.3	Confident	86.3	Confident	129 Å²	129	64 Å²	64	60%	0.603	31%	0.308	S	S	*	.	S	Bend	trans	63.1	13.6	-170.7	-55.6	-176.9	-159.7	0	0	114.6	I133 T140 Y146	I133-E143 HydrophobicContact CD1-CG 4.07Å; T140-E143 HydrophobicContact CG2-CG 4.24Å; T140-E143 WeakPolarHBondContact OG1-CA 3.45Å; T140-E143 PolarHBondContact OG1-N 3.1Å; E143-Y146 WeakPolarHBondContact O-CE2 3.5Å; E143-Y146 PolarHBondContact O-OH 2.8Å
144	E	88.7	Confident	86	Confident	166 Å²	166	62.7 Å²	62.7	78%	0.776	30%	0.302	S	S	*	.	S	Bend	trans	-105.8	-51.3	174.8	-61.7	-170.4	-177.7	0	0	110.1	D142	D142-E144 PolarHBondContact O-N 3.37Å; D142-E144 PolarHBondContact OD1-N 2.65Å
145	E	90.6	Very high	85.9	Confident	71 Å²	71	58.4 Å²	58.4	33%	0.332	29%	0.286	S	S	.	.	S	Bend	trans	-98.6	139.4	176.2	-70.2	-152.6	161.9	0	0	112.3	T140 D142 F147 H156	T140-E145 WeakPolarHBondContact CB-O 3.44Å; T140-E145 PolarHBondContact OG1-O 3.34Å; D142-E145 PolarHBondContact OD1-N 2.9Å; E145-F147 HydrophobicContact CB-CE2 4.19Å; E145-F147 HydrophobicContact CB-CZ 4Å; E145-F147 WeakPolarHBondContact OE2-CZ 3.21Å; E145-H156 IonicContact OE1-CE1 3.66Å; E145-H156 IonicContact OE1-NE2 3Å; E145-H156 IonicContact OE2-CD2 3.33Å; E145-H156 PolarHBondContact OE2-CD2 2.86Å; E145-H156 IonicContact OE2-CE1 2.62Å; E145-H156 PolarHBondContact OE2-CE1 3.04Å; E145-H156 IonicContact OE2-CG 3.61Å; E145-H156 IonicContact OE2-ND1 2.92Å; E145-H156 IonicContact OE2-NE2 3.92Å; E145-H156 PolarHBondContact OE2-NE2 3.48Å
146	Y	91.2	Very high	86.3	Confident	109 Å²	109	55 Å²	55	43%	0.427	27%	0.27	S	S	.	.			trans	-130.2	131.1	-176.3	-66.8	-93.5	0	0	0	112	K138 L139 T140 E143	K138-Y146 HydrophobicContact CB-CD1 4.14Å; K138-Y146 HydrophobicContact CD-CG 4.44Å; L139-Y146 CarbonylContact O-C 3.53Å; L139-Y146 WeakPolarHBondContact O-CA 3.26Å; T140-Y146 HydrophobicContact CG2-CD1 4.02Å; T140-Y146 HydrophobicContact CG2-CE1 3.68Å; E143-Y146 WeakPolarHBondContact O-CE2 3.5Å; E143-Y146 PolarHBondContact O-OH 2.8Å
147	F	86.2	Confident	86.9	Confident	18 Å²	18	48.2 Å²	48.2	8%	0.079	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-115	152.5	-177.3	-50.8	-79.6	0	0	0	111.3	K138 L139 E145 Q152 L153 H156 Y157	K138-F147 CarbonylContact C-O 3.43Å; K138-F147 VanDerWaalsContact CA-O 3.27Å; K138-F147 WeakPolarHBondContact CA-O 3.31Å; L139-F147 HydrophobicContact CB-CB 4.48Å; L139-F147 PolarHBondContact N-O 2.89Å; L139-F147 WeakPolarHBondContact O-CD2 3.27Å; L139-F147 PolarHBondContact O-N 3.14Å; E145-F147 HydrophobicContact CB-CE2 4.19Å; E145-F147 HydrophobicContact CB-CZ 4Å; E145-F147 WeakPolarHBondContact OE2-CZ 3.21Å; F147-Q152 HydrophobicContact CB-CB 4.17Å; F147-Q152 HydrophobicContact CD1-CB 4.2Å; F147-L153 HydrophobicContact CB-CB 4.06Å; F147-L153 HydrophobicContact CD1-CB 4.43Å; F147-L153 HydrophobicContact CD2-CB 3.69Å; F147-L153 HydrophobicContact CD2-CD1 3.81Å; F147-L153 HydrophobicContact CD2-CG 3.77Å; F147-L153 HydrophobicContact CE2-CB 4.28Å; F147-L153 HydrophobicContact CE2-CD1 4.29Å; F147-L153 HydrophobicContact CE2-CG 4.02Å; F147-L153 HydrophobicContact CG-CB 3.78Å; F147-L153 HydrophobicContact CG-CG 4.37Å; F147-H156 HydrophobicContact CD1-CB 4.49Å; F147-H156 HydrophobicContact CE1-CB 3.53Å; F147-H156 AromaticContact CE1-CG 3.73Å; F147-H156 HydrophobicContact CZ-CB 3.81Å; F147-H156 AromaticContact CZ-CD2 3.63Å; F147-H156 AromaticContact CZ-CG 3.7Å; F147-Y157 HydrophobicContact CE2-CE2 4.18Å; F147-Y157 HydrophobicContact CZ-CE2 4.47Å
148	E	77.8	Confident	87.7	Confident	131 Å²	131	48.7 Å²	48.7	61%	0.612	23%	0.229	S	C	*	.	S	Bend	trans	-82.6	-23.4	178.7	-60.5	-175.2	157.1	0	0	112.8
149	N	77.2	Confident	87.9	Confident	12 Å²	12	50 Å²	50	6%	0.064	24%	0.235	C	C	.	.	S	Bend	trans	-156.8	166.2	-177.6	56.8	65.8	0	0	0	111.5	M151 Q152 L153	N149-M151 PolarHBondContact O-N 2.92Å; N149-M151 WeakPolarHBondContact OD1-CB 3.28Å; N149-M151 PolarHBondContact OD1-N 2.88Å; N149-Q152 PolarHBondContact O-N 2.83Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.04Å; N149-Q152 PolarHBondContact OD1-N 2.83Å; N149-L153 PolarHBondContact O-N 3.47Å
150	L	82.6	Confident	88	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-27.2	-175.9	-68.9	168.9	0	0	0	112.1	M81 W83 F84 V107 Y117 I132 L139 L153 V154 D228	M81-L150 HydrophobicContact SD-CB 4.31Å; M81-L150 HydrophobicContact SD-CD1 4.48Å; W83-L150 HydrophobicContact CH2-CB 3.63Å; W83-L150 HydrophobicContact CZ3-CB 4.13Å; F84-L150 HydrophobicContact CD2-CD1 4.17Å; F84-L150 HydrophobicContact CE2-CD1 4.19Å; V107-L150 HydrophobicContact CG1-CD1 4.3Å; V107-L150 HydrophobicContact CG1-CD2 4.25Å; Y117-L150 HydrophobicContact CD1-CD1 4Å; Y117-L150 HydrophobicContact CD2-CD1 4.24Å; Y117-L150 HydrophobicContact CD2-CD2 3.96Å; Y117-L150 HydrophobicContact CD2-CG 4.4Å; Y117-L150 HydrophobicContact CE1-CD1 4.04Å; Y117-L150 HydrophobicContact CE2-CD1 4.29Å; Y117-L150 HydrophobicContact CG-CD1 4.09Å; Y117-L150 HydrophobicContact CG-CD2 4.05Å; I132-L150 HydrophobicContact CD1-CD2 3.78Å; I132-L150 HydrophobicContact CG2-CD2 4.26Å; L139-L150 HydrophobicContact CD1-CB 4.47Å; L139-L150 HydrophobicContact CD1-CD2 3.91Å; L139-L150 HydrophobicContact CD1-CG 3.88Å; L150-L153 PolarHBondContact O-N 3.31Å; L150-V154 WeakPolarHBondContact O-CB 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.4Å; L150-V154 PolarHBondContact O-N 2.98Å; L150-D228 WeakPolarHBondContact CB-OD2 3.12Å; L150-D228 PolarHBondContact N-OD2 2.92Å
151	M	81.3	Confident	87.9	Confident	17 Å²	17	55.4 Å²	55.4	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-44.4	177.7	-65.1	-178.9	-76.2	0	0	111.9	L80 M81 W83 N149 L153 V154 E155 D228 G261	L80-M151 HydrophobicContact CB-SD 4.08Å; M81-M151 HydrophobicContact CG-CG 3.74Å; M81-M151 HydrophobicContact CG-SD 4.26Å; M81-M151 HydrophobicContact SD-CG 4.26Å; W83-M151 HydrophobicContact CZ2-CG 4.16Å; N149-M151 PolarHBondContact O-N 2.92Å; N149-M151 WeakPolarHBondContact OD1-CB 3.28Å; N149-M151 PolarHBondContact OD1-N 2.88Å; M151-L153 VanDerWaalsContact C-N 3.33Å; M151-L153 PolarHBondContact O-N 3.31Å; M151-V154 PolarHBondContact O-N 3.08Å; M151-E155 WeakPolarHBondContact O-CB 3.4Å; M151-E155 PolarHBondContact O-N 3.23Å; M151-D228 WeakPolarHBondContact CE-OD1 3.44Å; M151-G261 WeakPolarHBondContact CE-O 3.38Å; M151-G261 VanDerWaalsContact SD-O 3.4Å
152	Q	82.4	Confident	87.7	Confident	42 Å²	42	56.8 Å²	56.8	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-43.8	174.2	-74.9	177	5	0	0	111.4	F147 N149 E155 H156 R260	F147-Q152 HydrophobicContact CB-CB 4.17Å; F147-Q152 HydrophobicContact CD1-CB 4.2Å; N149-Q152 PolarHBondContact O-N 2.83Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.04Å; N149-Q152 PolarHBondContact OD1-N 2.83Å; Q152-E155 PolarHBondContact O-N 2.73Å; Q152-H156 PolarHBondContact O-N 3.31Å; Q152-R260 WeakPolarHBondContact CG-O 3.46Å
153	L	89.9	Confident	87.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-49.5	176.9	-177.2	155.2	0	0	0	111.4	I132 L139 I141 F147 N149 L150 M151 E155 H156 Y157	I132-L153 HydrophobicContact CB-CD1 4.5Å; I132-L153 HydrophobicContact CD1-CD1 4.27Å; I132-L153 HydrophobicContact CD1-CD2 4.15Å; I132-L153 HydrophobicContact CG1-CD1 4.11Å; I132-L153 HydrophobicContact CG2-CD1 3.61Å; L139-L153 HydrophobicContact CB-CD1 4.2Å; I141-L153 HydrophobicContact CD1-CD2 4.22Å; I141-L153 HydrophobicContact CG1-CD1 4.24Å; F147-L153 HydrophobicContact CB-CB 4.06Å; F147-L153 HydrophobicContact CD1-CB 4.43Å; F147-L153 HydrophobicContact CD2-CB 3.69Å; F147-L153 HydrophobicContact CD2-CD1 3.81Å; F147-L153 HydrophobicContact CD2-CG 3.77Å; F147-L153 HydrophobicContact CE2-CB 4.28Å; F147-L153 HydrophobicContact CE2-CD1 4.29Å; F147-L153 HydrophobicContact CE2-CG 4.02Å; F147-L153 HydrophobicContact CG-CB 3.78Å; F147-L153 HydrophobicContact CG-CG 4.37Å; N149-L153 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 3.31Å; M151-L153 VanDerWaalsContact C-N 3.33Å; M151-L153 PolarHBondContact O-N 3.31Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 3.27Å; L153-H156 PolarHBondContact O-N 2.93Å; L153-Y157 HydrophobicContact CD2-CD2 3.73Å; L153-Y157 HydrophobicContact CD2-CE2 4.04Å; L153-Y157 HydrophobicContact CG-CD2 3.96Å; L153-Y157 HydrophobicContact CG-CE2 3.92Å; L153-Y157 VanDerWaalsContact O-CD2 3.24Å; L153-Y157 WeakPolarHBondContact O-CD2 3.28Å; L153-Y157 PolarHBondContact O-N 2.66Å; L153-Y157 VanDerWaalsContact O-N 3.1Å
154	V	88.8	Confident	88.1	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-38.7	179.3	165.7	0	0	0	0	111.5	W83 Y105 V107 L150 M151 T158 L168	W83-V154 HydrophobicContact CD2-CG2 4.18Å; W83-V154 HydrophobicContact CE3-CG2 4.06Å; W83-V154 HydrophobicContact CH2-CB 4.27Å; W83-V154 HydrophobicContact CH2-CG2 3.59Å; W83-V154 HydrophobicContact CZ2-CB 3.92Å; W83-V154 HydrophobicContact CZ2-CG1 4.2Å; W83-V154 HydrophobicContact CZ2-CG2 3.68Å; W83-V154 HydrophobicContact CZ3-CG2 3.78Å; Y105-V154 HydrophobicContact CE2-CG1 3.74Å; Y105-V154 HydrophobicContact CE2-CG2 4.38Å; Y105-V154 VanDerWaalsContact OH-CG1 3.28Å; Y105-V154 WeakPolarHBondContact OH-CG1 3.14Å; V107-V154 HydrophobicContact CG2-CG2 4.15Å; L150-V154 WeakPolarHBondContact O-CB 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.4Å; L150-V154 PolarHBondContact O-N 2.98Å; M151-V154 PolarHBondContact O-N 3.08Å; V154-T158 WeakPolarHBondContact O-CB 3.36Å; V154-T158 PolarHBondContact O-N 3.37Å; V154-T158 PolarHBondContact O-OG1 3.36Å; V154-L168 HydrophobicContact CB-CD1 4.32Å; V154-L168 HydrophobicContact CG1-CD1 3.99Å; V154-L168 HydrophobicContact CG2-CD1 4.32Å
155	E	83.5	Confident	88.4	Confident	32 Å²	32	47 Å²	47	15%	0.15	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-45.2	177.1	-168.3	-158.4	-172.3	0	0	111.9	M151 Q152 L153 Y157 T158 K159 E259 R260	M151-E155 WeakPolarHBondContact O-CB 3.4Å; M151-E155 PolarHBondContact O-N 3.23Å; Q152-E155 PolarHBondContact O-N 2.73Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 3.27Å; E155-Y157 PolarHBondContact O-N 2.98Å; E155-T158 WeakPolarHBondContact O-CB 3.3Å; E155-T158 PolarHBondContact O-N 3.45Å; E155-T158 VanDerWaalsContact O-N 3.16Å; E155-K159 PolarHBondContact O-N 3.46Å; E155-K159 VanDerWaalsContact O-N 3.16Å; E155-K159 WeakPolarHBondContact OE1-CE 3.48Å; E155-K159 IonicContact OE1-NZ 3.97Å; E155-K159 PolarHBondContact OE1-NZ 2.78Å; E155-K159 IonicContact OE2-NZ 3.23Å; E155-E259 WeakPolarHBondContact CG-O 3.25Å; E155-E259 VanDerWaalsContact OE1-C 3.24Å; E155-E259 VanDerWaalsContact OE1-CB 3.3Å; E155-E259 WeakPolarHBondContact OE1-CB 3.31Å; E155-R260 WeakPolarHBondContact OE2-CA 3.32Å; E155-R260 WeakPolarHBondContact OE2-CG 3.32Å
156	H	90.3	Very high	88.7	Confident	42 Å²	42	45 Å²	45	19%	0.194	25%	0.247	C	C	.	.	H	α-helix	trans	-54	-55.5	175.3	178.8	76	0	0	0	110.8	E145 F147 Q152 L153 T158 K159 D160 D162	E145-H156 IonicContact OE1-CE1 3.66Å; E145-H156 IonicContact OE1-NE2 3Å; E145-H156 IonicContact OE2-CD2 3.33Å; E145-H156 PolarHBondContact OE2-CD2 2.86Å; E145-H156 IonicContact OE2-CE1 2.62Å; E145-H156 PolarHBondContact OE2-CE1 3.04Å; E145-H156 IonicContact OE2-CG 3.61Å; E145-H156 IonicContact OE2-ND1 2.92Å; E145-H156 IonicContact OE2-NE2 3.92Å; E145-H156 PolarHBondContact OE2-NE2 3.48Å; F147-H156 HydrophobicContact CD1-CB 4.49Å; F147-H156 HydrophobicContact CE1-CB 3.53Å; F147-H156 AromaticContact CE1-CG 3.73Å; F147-H156 HydrophobicContact CZ-CB 3.81Å; F147-H156 AromaticContact CZ-CD2 3.63Å; F147-H156 AromaticContact CZ-CG 3.7Å; Q152-H156 PolarHBondContact O-N 3.31Å; L153-H156 PolarHBondContact O-N 2.93Å; H156-T158 PolarHBondContact O-N 3.46Å; H156-T158 VanDerWaalsContact O-N 3.14Å; H156-K159 WeakPolarHBondContact O-CB 3.34Å; H156-K159 PolarHBondContact O-N 3.25Å; H156-D160 PolarHBondContact O-N 3.4Å; H156-D162 IonicContact CD2-OD2 2.63Å; H156-D162 IonicContact CE1-OD2 3.73Å; H156-D162 IonicContact NE2-OD2 3.61Å; H156-D162 PolarHBondContact NE2-OD2 2.87Å
157	Y	94.1	Very high	88.9	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-70.5	-11.4	-178.4	-71.6	-61.1	0	0	0	114.4	I141 F147 L153 E155 D160 A161 D162 L164 R167 L168	I141-Y157 HydrophobicContact CB-CE2 4.48Å; I141-Y157 HydrophobicContact CD1-CD2 4.14Å; I141-Y157 HydrophobicContact CD1-CE2 3.55Å; I141-Y157 HydrophobicContact CG1-CE2 4.1Å; F147-Y157 HydrophobicContact CE2-CE2 4.18Å; F147-Y157 HydrophobicContact CZ-CE2 4.47Å; L153-Y157 HydrophobicContact CD2-CD2 3.73Å; L153-Y157 HydrophobicContact CD2-CE2 4.04Å; L153-Y157 HydrophobicContact CG-CD2 3.96Å; L153-Y157 HydrophobicContact CG-CE2 3.92Å; L153-Y157 VanDerWaalsContact O-CD2 3.24Å; L153-Y157 WeakPolarHBondContact O-CD2 3.28Å; L153-Y157 PolarHBondContact O-N 2.66Å; L153-Y157 VanDerWaalsContact O-N 3.1Å; E155-Y157 PolarHBondContact O-N 2.98Å; Y157-D160 CarbonylContact C-O 3.55Å; Y157-D160 WeakPolarHBondContact CA-O 3.16Å; Y157-D160 VanDerWaalsContact O-O 3.06Å; Y157-A161 WeakPolarHBondContact CD1-O 3.27Å; Y157-D162 HydrophobicContact CD1-CB 4.28Å; Y157-D162 HydrophobicContact CE1-CB 3.9Å; Y157-L164 HydrophobicContact CD1-CD1 3.39Å; Y157-L164 HydrophobicContact CD1-CD2 4.41Å; Y157-L164 HydrophobicContact CD1-CG 3.54Å; Y157-L164 HydrophobicContact CD2-CD1 4.21Å; Y157-L164 HydrophobicContact CE1-CD1 4.08Å; Y157-L164 HydrophobicContact CE1-CD2 4.28Å; Y157-L164 HydrophobicContact CE1-CG 3.78Å; Y157-L164 HydrophobicContact CG-CD1 3.48Å; Y157-L164 VanDerWaalsContact CG-CD1 3.48Å; Y157-L164 HydrophobicContact CG-CG 4.13Å; Y157-R167 CarbonylContact O-C 3.58Å; Y157-R167 WeakPolarHBondContact O-CA 3.32Å; Y157-L168 PolarHBondContact O-N 3.34Å
158	T	90.9	Very high	89.4	Confident	51 Å²	51	45.5 Å²	45.5	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-78.3	-35.3	169.2	-61.2	0	0	0	0	111.3	V154 E155 H156 L168	V154-T158 WeakPolarHBondContact O-CB 3.36Å; V154-T158 PolarHBondContact O-N 3.37Å; V154-T158 PolarHBondContact O-OG1 3.36Å; E155-T158 WeakPolarHBondContact O-CB 3.3Å; E155-T158 PolarHBondContact O-N 3.45Å; E155-T158 VanDerWaalsContact O-N 3.16Å; H156-T158 PolarHBondContact O-N 3.46Å; H156-T158 VanDerWaalsContact O-N 3.14Å; T158-L168 WeakPolarHBondContact CA-O 3.5Å; T158-L168 WeakPolarHBondContact CG2-O 3.47Å
159	K	90.3	Very high	90.1	Very high	128 Å²	128	43.6 Å²	43.6	56%	0.557	24%	0.241	S	C	*	.	H	α-helix	trans	-81	-45.1	-178.7	-73.4	171.5	174.1	168.1	0	111.8	E155 H156	E155-K159 PolarHBondContact O-N 3.46Å; E155-K159 VanDerWaalsContact O-N 3.16Å; E155-K159 WeakPolarHBondContact OE1-CE 3.48Å; E155-K159 IonicContact OE1-NZ 3.97Å; E155-K159 PolarHBondContact OE1-NZ 2.78Å; E155-K159 IonicContact OE2-NZ 3.23Å; H156-K159 WeakPolarHBondContact O-CB 3.34Å; H156-K159 PolarHBondContact O-N 3.25Å
160	D	91.3	Very high	90.8	Very high	95 Å²	95	47.5 Å²	47.5	51%	0.508	26%	0.257	S	S	.	.			trans	-129.8	145.6	178.8	-157.7	-37.9	0	0	0	109.3	H156 Y157 D162	H156-D160 PolarHBondContact O-N 3.4Å; Y157-D160 CarbonylContact C-O 3.55Å; Y157-D160 WeakPolarHBondContact CA-O 3.16Å; Y157-D160 VanDerWaalsContact O-O 3.06Å; D160-D162 HydrophobicContact CB-CB 4.43Å; D160-D162 PolarHBondContact OD1-N 3.11Å
161	A	92.7	Very high	91.1	Very high	26 Å²	26	49.6 Å²	49.6	22%	0.215	27%	0.27	C	S	.	.			trans	-75.1	-31.2	174.9	0	0	0	0	0	111.5	Y157 G163 L164 R167	Y157-A161 WeakPolarHBondContact CD1-O 3.27Å; A161-G163 VanDerWaalsContact C-N 3.34Å; A161-G163 PolarHBondContact O-N 3.15Å; A161-G163 VanDerWaalsContact O-N 3.15Å; A161-L164 WeakPolarHBondContact O-CB 3.36Å; A161-L164 VanDerWaalsContact O-CG 3.25Å; A161-L164 WeakPolarHBondContact O-CG 3.06Å; A161-L164 PolarHBondContact O-N 3.31Å; A161-R167 HydrophobicContact CB-CB 4.31Å
162	D	92.6	Very high	91.6	Very high	60 Å²	60	51.5 Å²	51.5	32%	0.321	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.5	55.7	173.3	-159.3	23.4	0	0	0	114.7	H156 Y157 D160	H156-D162 IonicContact CD2-OD2 2.63Å; H156-D162 IonicContact CE1-OD2 3.73Å; H156-D162 IonicContact NE2-OD2 3.61Å; H156-D162 PolarHBondContact NE2-OD2 2.87Å; Y157-D162 HydrophobicContact CD1-CB 4.28Å; Y157-D162 HydrophobicContact CE1-CB 3.9Å; D160-D162 HydrophobicContact CB-CB 4.43Å; D160-D162 PolarHBondContact OD1-N 3.11Å
163	G	91.4	Very high	91.7	Very high	78 Å²	78	53.5 Å²	53.5	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-11.6	-179.2	0	0	0	0	0	115.8	A161	A161-G163 VanDerWaalsContact C-N 3.34Å; A161-G163 PolarHBondContact O-N 3.15Å; A161-G163 VanDerWaalsContact O-N 3.15Å
164	L	95.6	Very high	91.4	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.073	31%	0.309	C	S	.	.	S	Bend	trans	-70.5	157.6	167.5	-56.7	-173	0	0	0	111.5	L119 Y130 I141 Y157 A161 T166 L168	L119-L164 HydrophobicContact CD2-CD1 3.73Å; L119-L164 HydrophobicContact CD2-CD2 4.41Å; Y130-L164 HydrophobicContact CD1-CD2 3.51Å; Y130-L164 HydrophobicContact CD2-CD2 3.8Å; Y130-L164 HydrophobicContact CE1-CD2 3.58Å; Y130-L164 HydrophobicContact CE2-CD2 3.86Å; Y130-L164 HydrophobicContact CG-CD2 3.63Å; I141-L164 HydrophobicContact CD1-CD2 4.26Å; Y157-L164 HydrophobicContact CD1-CD1 3.39Å; Y157-L164 HydrophobicContact CD1-CD2 4.41Å; Y157-L164 HydrophobicContact CD1-CG 3.54Å; Y157-L164 HydrophobicContact CD2-CD1 4.21Å; Y157-L164 HydrophobicContact CE1-CD1 4.08Å; Y157-L164 HydrophobicContact CE1-CD2 4.28Å; Y157-L164 HydrophobicContact CE1-CG 3.78Å; Y157-L164 HydrophobicContact CG-CD1 3.48Å; Y157-L164 VanDerWaalsContact CG-CD1 3.48Å; Y157-L164 HydrophobicContact CG-CG 4.13Å; A161-L164 WeakPolarHBondContact O-CB 3.36Å; A161-L164 VanDerWaalsContact O-CG 3.25Å; A161-L164 WeakPolarHBondContact O-CG 3.06Å; A161-L164 PolarHBondContact O-N 3.31Å; L164-T166 PolarHBondContact O-N 2.71Å; L164-L168 HydrophobicContact CD1-CD2 4.27Å
165	C	95.6	Very high	90.8	Very high	54 Å²	54	65.7 Å²	65.7	37%	0.365	35%	0.348	S	S	.	.	S	Bend	trans	-62.2	-26.2	178.9	59.1	0	0	0	0	113	C123 E128 Y130	C123-C165 HydrophobicContact CB-CB 4.01Å; C123-C165 WeakPolarHBondContact CB-SG 3.48Å; E128-C165 HydrophobicContact CG-CB 4.12Å; Y130-C165 VanDerWaalsContact OH-CB 3.27Å; Y130-C165 WeakPolarHBondContact OH-CB 3.5Å; Y130-C165 PolarHBondContact OH-N 2.74Å; Y130-C165 PolarHBondContact OH-SG 3.3Å; Y130-C165 VanDerWaalsContact OH-SG 3.34Å
166	T	96.7	Very high	90.1	Very high	29 Å²	29	66.5 Å²	66.5	18%	0.178	36%	0.364	C	S	.	.	S	Bend	trans	-162.3	160.8	170.4	-169.2	0	0	0	0	108.6	T102 V121 C123 L164	T102-T166 HydrophobicContact CG2-CG2 4.14Å; V121-T166 HydrophobicContact CG1-CG2 3.94Å; C123-T166 HydrophobicContact CB-CG2 4.08Å; L164-T166 PolarHBondContact O-N 2.71Å
167	R	96.6	Very high	89.3	Confident	136 Å²	136	66 Å²	66	51%	0.513	36%	0.364	S	S	.	.			trans	-63	153.1	171.3	65.4	-179.5	-179.7	140.7	0.1	110.6	Y157 A161 I169	Y157-R167 CarbonylContact O-C 3.58Å; Y157-R167 WeakPolarHBondContact O-CA 3.32Å; A161-R167 HydrophobicContact CB-CB 4.31Å; R167-I169 HydrophobicContact CG-CD1 4.48Å; R167-I169 HydrophobicContact CG-CG1 3.98Å; R167-I169 PolarHBondContact O-N 2.88Å
168	L	95.8	Very high	88.2	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.005	38%	0.38	C	S	.	.			trans	-70.1	122.5	172.1	-53.8	-175.4	0	0	0	109	Y105 L119 V121 V154 Y157 T158 L164	Y105-L168 HydrophobicContact CD1-CB 3.69Å; Y105-L168 HydrophobicContact CD1-CD1 4.49Å; Y105-L168 HydrophobicContact CD1-CD2 4.07Å; Y105-L168 HydrophobicContact CD1-CG 4.29Å; Y105-L168 HydrophobicContact CD2-CD1 4.15Å; Y105-L168 HydrophobicContact CD2-CD2 4.38Å; Y105-L168 HydrophobicContact CE1-CB 3.7Å; Y105-L168 HydrophobicContact CE2-CD1 4.19Å; Y105-L168 HydrophobicContact CG-CB 4.24Å; Y105-L168 HydrophobicContact CG-CD1 4.32Å; Y105-L168 HydrophobicContact CG-CD2 3.83Å; Y105-L168 HydrophobicContact CG-CG 4.35Å; L119-L168 HydrophobicContact CD1-CD1 4.16Å; L119-L168 HydrophobicContact CD1-CD2 4.11Å; L119-L168 HydrophobicContact CD2-CD1 4.37Å; L119-L168 HydrophobicContact CD2-CD2 4.23Å; V121-L168 HydrophobicContact CG1-CD2 4.25Å; V121-L168 HydrophobicContact CG2-CD2 3.61Å; V154-L168 HydrophobicContact CB-CD1 4.32Å; V154-L168 HydrophobicContact CG1-CD1 3.99Å; V154-L168 HydrophobicContact CG2-CD1 4.32Å; Y157-L168 PolarHBondContact O-N 3.34Å; T158-L168 WeakPolarHBondContact CA-O 3.5Å; T158-L168 WeakPolarHBondContact CG2-O 3.47Å; L164-L168 HydrophobicContact CD1-CD2 4.27Å
169	I	92.9	Very high	87.5	Confident	91 Å²	91	67.4 Å²	67.4	47%	0.467	38%	0.375	S	S	.	.			trans	-110.8	-49.6	-176	-60.8	177.9	0	0	0	110.3	G103 R167	G103-I169 PolarHBondContact O-N 3.23Å; R167-I169 HydrophobicContact CG-CD1 4.48Å; R167-I169 HydrophobicContact CG-CG1 3.98Å; R167-I169 PolarHBondContact O-N 2.88Å
170	K	90.6	Very high	86.8	Confident	94 Å²	94	61.4 Å²	61.4	41%	0.409	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.9	-170.8	-171.5	-180	177.6	-170.8	0	111	E101 G103 L104 Y105	E101-K170 WeakPolarHBondContact OE1-CD 3.31Å; E101-K170 IonicContact OE1-NZ 3.97Å; E101-K170 PolarHBondContact OE1-NZ 2.74Å; E101-K170 IonicContact OE2-NZ 2.92Å; E101-K170 PolarHBondContact OE2-NZ 3.09Å; G103-K170 PolarHBondContact O-N 3.31Å; L104-K170 CarbonylContact C-O 3.59Å; L104-K170 VanDerWaalsContact CA-O 3.28Å; L104-K170 WeakPolarHBondContact CA-O 3.34Å; L104-K170 HydrophobicContact CD1-CB 4.16Å; L104-K170 HydrophobicContact CD1-CD 4.05Å; L104-K170 HydrophobicContact CD1-CG 4.02Å; Y105-K170 WeakPolarHBondContact CD1-O 3.11Å; Y105-K170 VanDerWaalsContact CE1-C 3.43Å; Y105-K170 PolarHBondContact N-O 2.79Å
171	P	89.6	Confident	86.1	Confident	44 Å²	44	61 Å²	61	29%	0.286	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.3	174.3	27.6	-32.3	0	0	0	110.6	W83 Y105 L173	W83-P171 HydrophobicContact CB-CB 3.75Å; W83-P171 HydrophobicContact CG-CB 4.31Å; Y105-P171 HydrophobicContact CE1-CB 4.08Å; Y105-P171 HydrophobicContact CE2-CB 4.37Å; P171-L173 HydrophobicContact CB-CD2 4.12Å; P171-L173 HydrophobicContact CG-CD2 3.99Å; P171-L173 PolarHBondContact O-N 2.67Å
172	K	92.2	Very high	85.3	Confident	57 Å²	57	63.8 Å²	63.8	25%	0.248	36%	0.356	C	S	.	.			trans	-78.2	103.3	161.9	178	67	-175.9	-151.6	0	107.7	H85 L96 L97 L104 Y105 L106	H85-K172 PolarHBondContact NE2-O 2.81Å; L96-K172 HydrophobicContact CB-CG 4.46Å; L96-K172 VanDerWaalsContact O-CD 3.29Å; L96-K172 WeakPolarHBondContact O-CD 3.44Å; L96-K172 WeakPolarHBondContact O-CE 3.46Å; L96-K172 PolarHBondContact O-NZ 2.66Å; L97-K172 HydrophobicContact CD2-CB 3.94Å; L97-K172 HydrophobicContact CD2-CG 4.46Å; L104-K172 HydrophobicContact CD1-CB 4.11Å; L104-K172 HydrophobicContact CG-CB 4.3Å; Y105-K172 WeakPolarHBondContact O-CB 3.41Å; Y105-K172 PolarHBondContact O-N 2.8Å; L106-K172 HydrophobicContact CB-CB 4.27Å; L106-K172 HydrophobicContact CD2-CG 4.36Å
173	L	85.2	Confident	84.8	Confident	85 Å²	85	63.3 Å²	63.3	45%	0.445	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-66.9	136.6	179.5	-49.1	178.5	0	0	0	110.4	P82 P171 E175	P82-L173 HydrophobicContact CB-CD2 3.66Å; P82-L173 HydrophobicContact CG-CD2 3.76Å; P82-L173 CarbonylContact O-C 3.56Å; P82-L173 WeakPolarHBondContact O-CA 3.3Å; P171-L173 HydrophobicContact CB-CD2 4.12Å; P171-L173 HydrophobicContact CG-CD2 3.99Å; P171-L173 PolarHBondContact O-N 2.67Å; L173-E175 PolarHBondContact O-N 3.07Å
174	M	81.8	Confident	84.5	Confident	82 Å²	82	59.6 Å²	59.6	40%	0.404	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-64.2	129.4	168.9	-177.9	-179.3	-175.9	0	0	108.6	P82 G176 T177	P82-M174 PolarHBondContact O-N 2.68Å; M174-G176 PolarHBondContact O-N 2.91Å; M174-T177 HydrophobicContact CB-CG2 3.81Å; M174-T177 HydrophobicContact CG-CG2 4.07Å; M174-T177 WeakPolarHBondContact O-CB 3.33Å; M174-T177 PolarHBondContact O-N 3.24Å; M174-T177 PolarHBondContact O-OG1 2.68Å; M174-T177 HydrophobicContact SD-CG2 4.14Å
175	E	78	Confident	83.9	Confident	180 Å²	180	61.4 Å²	61.4	84%	0.841	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	134	-178.3	-80.6	-171.4	171.4	0	0	111.4	L173 T177	L173-E175 PolarHBondContact O-N 3.07Å; E175-T177 VanDerWaalsContact C-N 3.29Å; E175-T177 PolarHBondContact O-N 3.43Å
176	G	68.9	Low	83.3	Confident	48 Å²	48	67.2 Å²	67.2	50%	0.495	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	2.2	-177.9	0	0	0	0	0	115	K77 M174	K77-G176 WeakPolarHBondContact CB-O 3.38Å; K77-G176 VanDerWaalsContact CD-O 3.23Å; K77-G176 WeakPolarHBondContact CD-O 3.42Å; K77-G176 WeakPolarHBondContact CG-O 3.34Å; M174-G176 PolarHBondContact O-N 2.91Å
177	T	71.5	Confident	82.8	Confident	32 Å²	32	66.2 Å²	66.2	20%	0.196	34%	0.335	C	S	.	.			trans	-92.5	149.3	172.4	65.1	0	0	0	0	113.1	K77 M174 E175	K77-T177 CarbonylContact O-C 3.56Å; K77-T177 VanDerWaalsContact O-CA 3.23Å; K77-T177 WeakPolarHBondContact O-CA 3.41Å; M174-T177 HydrophobicContact CB-CG2 3.81Å; M174-T177 HydrophobicContact CG-CG2 4.07Å; M174-T177 WeakPolarHBondContact O-CB 3.33Å; M174-T177 PolarHBondContact O-N 3.24Å; M174-T177 PolarHBondContact O-OG1 2.68Å; M174-T177 HydrophobicContact SD-CG2 4.14Å; E175-T177 VanDerWaalsContact C-N 3.29Å; E175-T177 PolarHBondContact O-N 3.43Å
178	V	71.6	Confident	82.2	Confident	56 Å²	56	60 Å²	60	34%	0.339	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.6	174.3	-178.8	0	0	0	0	108.5	K77 L78 S79 A180 E183	K77-V178 PolarHBondContact O-N 3.19Å; L78-V178 CarbonylContact C-O 3.59Å; L78-V178 VanDerWaalsContact CA-O 3.31Å; L78-V178 WeakPolarHBondContact CA-O 3.49Å; L78-V178 HydrophobicContact CD2-CB 4.3Å; L78-V178 HydrophobicContact CD2-CG1 4.27Å; S79-V178 PolarHBondContact N-O 2.87Å; V178-A180 PolarHBondContact O-N 3.02Å; V178-E183 HydrophobicContact CG1-CB 4.27Å
179	A	76.1	Confident	81.9	Confident	26 Å²	26	60.4 Å²	60.4	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	120.2	177.8	0	0	0	0	0	110.4	P82 Q181 D182 E183	P82-A179 HydrophobicContact CG-CB 4.37Å; A179-Q181 VanDerWaalsContact C-N 3.29Å; A179-Q181 PolarHBondContact O-N 2.81Å; A179-D182 HydrophobicContact CB-CB 4.34Å; A179-D182 PolarHBondContact O-N 2.78Å; A179-E183 PolarHBondContact O-N 2.71Å
180	A	75.9	Confident	81.7	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-59.5	-40.1	-175.7	0	0	0	0	0	112.7	L78 S79 L80 V178 D182 E183 F184 I235	L78-A180 HydrophobicContact CB-CB 4.38Å; L78-A180 HydrophobicContact CD2-CB 4.43Å; S79-A180 PolarHBondContact O-N 3.49Å; L80-A180 HydrophobicContact CD2-CB 4.31Å; L80-A180 HydrophobicContact CG-CB 4.44Å; V178-A180 PolarHBondContact O-N 3.02Å; A180-D182 PolarHBondContact O-N 3.06Å; A180-E183 PolarHBondContact O-N 3.14Å; A180-F184 HydrophobicContact CB-CD2 4.29Å; A180-F184 HydrophobicContact CB-CE2 4.12Å; A180-F184 WeakPolarHBondContact O-CD2 3.42Å; A180-F184 PolarHBondContact O-N 3.18Å; A180-I235 HydrophobicContact CB-CD1 4.18Å; A180-I235 HydrophobicContact CB-CG1 4.34Å; A180-I235 HydrophobicContact CB-CG2 4.25Å
181	Q	76.6	Confident	81.7	Confident	88 Å²	88	55.4 Å²	55.4	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-59.4	-46.6	179.7	-175.5	171.5	17.2	0	0	112.9	A179 E183 S185 V257	A179-Q181 VanDerWaalsContact C-N 3.29Å; A179-Q181 PolarHBondContact O-N 2.81Å; Q181-E183 VanDerWaalsContact C-N 3.34Å; Q181-S185 VanDerWaalsContact O-CB 3.31Å; Q181-S185 WeakPolarHBondContact O-CB 2.91Å; Q181-S185 PolarHBondContact O-N 2.95Å; Q181-S185 PolarHBondContact O-OG 3.39Å; Q181-V257 HydrophobicContact CB-CB 4.06Å; Q181-V257 HydrophobicContact CB-CG1 4.04Å; Q181-V257 HydrophobicContact CB-CG2 3.85Å; Q181-V257 HydrophobicContact CG-CB 3.82Å; Q181-V257 HydrophobicContact CG-CG1 4.16Å; Q181-V257 HydrophobicContact CG-CG2 3.92Å
182	D	76.5	Confident	81.6	Confident	83 Å²	83	56.4 Å²	56.4	44%	0.444	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-42.6	-179.5	-72.9	-21.4	0	0	0	110.7	A179 A180 S185 R186	A179-D182 HydrophobicContact CB-CB 4.34Å; A179-D182 PolarHBondContact O-N 2.78Å; A180-D182 PolarHBondContact O-N 3.06Å; D182-S185 PolarHBondContact O-N 2.86Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 WeakPolarHBondContact O-CG 3.37Å; D182-R186 PolarHBondContact O-N 3.33Å
183	E	81.7	Confident	81.5	Confident	50 Å²	50	57.5 Å²	57.5	23%	0.234	31%	0.306	C	S	.	.	H	α-helix	trans	-67.5	-48.9	-178.1	-163.7	66.4	-171.3	0	0	111.5	V72 L78 V178 A179 A180 Q181 S185 R186 S187	V72-E183 HydrophobicContact CG1-CG 3.67Å; L78-E183 HydrophobicContact CD2-CB 3.65Å; L78-E183 HydrophobicContact CD2-CG 3.93Å; V178-E183 HydrophobicContact CG1-CB 4.27Å; A179-E183 PolarHBondContact O-N 2.71Å; A180-E183 PolarHBondContact O-N 3.14Å; Q181-E183 VanDerWaalsContact C-N 3.34Å; E183-S185 PolarHBondContact O-N 3.33Å; E183-R186 PolarHBondContact O-N 3.31Å; E183-S187 WeakPolarHBondContact O-CB 3.38Å; E183-S187 PolarHBondContact O-N 2.94Å; E183-S187 PolarHBondContact O-OG 3.04Å; E183-S187 VanDerWaalsContact O-OG 3.11Å
184	F	84.6	Confident	81.7	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-33.1	176.2	-71.6	-59.4	0	0	0	112.3	V72 A180 G188 W189 A190 I235 A238 T242 V255	V72-F184 HydrophobicContact CB-CE1 4.28Å; V72-F184 HydrophobicContact CG1-CE1 4.38Å; V72-F184 HydrophobicContact CG2-CD1 3.87Å; V72-F184 HydrophobicContact CG2-CE1 4Å; A180-F184 HydrophobicContact CB-CD2 4.29Å; A180-F184 HydrophobicContact CB-CE2 4.12Å; A180-F184 WeakPolarHBondContact O-CD2 3.42Å; A180-F184 PolarHBondContact O-N 3.18Å; F184-G188 PolarHBondContact O-N 3.27Å; F184-W189 HydrophobicContact CB-CB 4.25Å; F184-W189 HydrophobicContact CD1-CB 4.01Å; F184-W189 WeakPolarHBondContact O-CA 2.99Å; F184-W189 PolarHBondContact O-N 2.82Å; F184-A190 PolarHBondContact O-N 2.82Å; F184-I235 HydrophobicContact CE2-CG2 4.3Å; F184-I235 HydrophobicContact CZ-CG2 4.43Å; F184-A238 HydrophobicContact CE1-CB 4.11Å; F184-A238 HydrophobicContact CE2-CB 4.49Å; F184-A238 HydrophobicContact CZ-CB 3.66Å; F184-T242 HydrophobicContact CD1-CG2 4.31Å; F184-T242 HydrophobicContact CE1-CG2 3.9Å; F184-V255 HydrophobicContact CD1-CG2 4.09Å; F184-V255 HydrophobicContact CD2-CB 4.42Å; F184-V255 HydrophobicContact CD2-CG1 4.15Å; F184-V255 HydrophobicContact CD2-CG2 4.49Å; F184-V255 HydrophobicContact CE1-CG2 4.16Å; F184-V255 HydrophobicContact CE2-CG1 4.44Å; F184-V255 HydrophobicContact CG-CB 4.29Å; F184-V255 HydrophobicContact CG-CG2 4.29Å; F184-V255 HydrophobicContact CZ-CG2 4.41Å
185	S	83.8	Confident	82.2	Confident	51 Å²	51	61.9 Å²	61.9	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-70.4	-46.4	175.4	-58.8	0	0	0	0	112.1	Q67 Q181 D182 E183 S187 G188 A190	Q67-S185 PolarHBondContact NE2-O 3.38Å; Q67-S185 VanDerWaalsContact NE2-O 3.14Å; Q181-S185 VanDerWaalsContact O-CB 3.31Å; Q181-S185 WeakPolarHBondContact O-CB 2.91Å; Q181-S185 PolarHBondContact O-N 2.95Å; Q181-S185 PolarHBondContact O-OG 3.39Å; D182-S185 PolarHBondContact O-N 2.86Å; E183-S185 PolarHBondContact O-N 3.33Å; S185-S187 VanDerWaalsContact C-N 3.29Å; S185-S187 PolarHBondContact O-N 3.11Å; S185-G188 PolarHBondContact O-N 3.2Å; S185-A190 WeakPolarHBondContact OG-CB 3.46Å
186	R	82.8	Confident	82.9	Confident	177 Å²	177	53.5 Å²	53.5	67%	0.668	28%	0.281	S	S	*	.	H	α-helix	trans	-65	-33	178.1	-74.3	173.6	-176.1	-172.2	3.8	112.6	Q67 D182 E183 G188	Q67-R186 PolarHBondContact NE2-O 3.05Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 WeakPolarHBondContact O-CG 3.37Å; D182-R186 PolarHBondContact O-N 3.33Å; E183-R186 PolarHBondContact O-N 3.31Å; R186-G188 VanDerWaalsContact C-N 3.33Å
187	S	85.3	Confident	84.2	Confident	8 Å²	8	58.1 Å²	58.1	6%	0.056	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5.7	178.4	-56.5	0	0	0	0	113.8	R69 E70 E183 S185 W189	R69-S187 WeakPolarHBondContact CA-O 3.47Å; E70-S187 PolarHBondContact N-O 2.95Å; E70-S187 VanDerWaalsContact N-O 3.15Å; E183-S187 WeakPolarHBondContact O-CB 3.38Å; E183-S187 PolarHBondContact O-N 2.94Å; E183-S187 PolarHBondContact O-OG 3.04Å; E183-S187 VanDerWaalsContact O-OG 3.11Å; S185-S187 VanDerWaalsContact C-N 3.29Å; S185-S187 PolarHBondContact O-N 3.11Å; S187-W189 PolarHBondContact O-NE1 2.72Å
188	G	84.6	Confident	85.2	Confident	6 Å²	6	59.1 Å²	59.1	6%	0.062	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	26.9	173.9	0	0	0	0	0	115.1	R69 F184 S185 R186	R69-G188 PolarHBondContact NE-O 3.5Å; F184-G188 PolarHBondContact O-N 3.27Å; S185-G188 PolarHBondContact O-N 3.2Å; R186-G188 VanDerWaalsContact C-N 3.33Å
189	W	90.1	Very high	86.3	Confident	8 Å²	8	61.3 Å²	61.3	3%	0.03	30%	0.301	C	S	.	.			trans	-105.9	-12.9	178.5	-66.9	95.7	0	0	0	114.1	R69 E70 F184 S187 L191 T242 L252 G254 V255	R69-W189 HydrophobicContact CB-CZ2 4.41Å; R69-W189 VanDerWaalsContact CZ-CE3 3.41Å; R69-W189 VanDerWaalsContact NH2-CZ3 3.27Å; E70-W189 PolarHBondContact O-NE1 3.3Å; F184-W189 HydrophobicContact CB-CB 4.25Å; F184-W189 HydrophobicContact CD1-CB 4.01Å; F184-W189 WeakPolarHBondContact O-CA 2.99Å; F184-W189 PolarHBondContact O-N 2.82Å; S187-W189 PolarHBondContact O-NE1 2.72Å; W189-L191 PolarHBondContact O-N 2.83Å; W189-T242 HydrophobicContact CD2-CG2 3.68Å; W189-T242 HydrophobicContact CE3-CG2 4.21Å; W189-T242 HydrophobicContact CG-CG2 3.86Å; W189-T242 HydrophobicContact CZ2-CG2 4.24Å; W189-T242 WeakPolarHBondContact CZ2-O 3.39Å; W189-L252 HydrophobicContact CD2-CD2 4.27Å; W189-L252 HydrophobicContact CE3-CD2 3.49Å; W189-L252 VanDerWaalsContact CE3-CD2 3.49Å; W189-L252 HydrophobicContact CE3-CG 3.91Å; W189-L252 HydrophobicContact CZ3-CB 4.08Å; W189-L252 HydrophobicContact CZ3-CD2 3.68Å; W189-L252 HydrophobicContact CZ3-CG 3.86Å; W189-G254 CarbonylContact O-C 3.49Å; W189-G254 WeakPolarHBondContact O-CA 3.4Å; W189-V255 PolarHBondContact O-N 3.3Å
190	A	88.7	Confident	87	Confident	49 Å²	49	66.5 Å²	66.5	41%	0.405	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-66.9	128.6	177.8	0	0	0	0	0	112.2	F184 S185 V255	F184-A190 PolarHBondContact O-N 2.82Å; S185-A190 WeakPolarHBondContact OG-CB 3.46Å; A190-V255 CarbonylContact C-O 3.21Å; A190-V255 VanDerWaalsContact CA-O 3.31Å; A190-V255 WeakPolarHBondContact CA-O 3.12Å
191	L	90.1	Very high	87.8	Confident	32 Å²	32	69.9 Å²	69.9	17%	0.168	34%	0.341	C	S	.	.			trans	-105.2	156.2	173.6	-59.4	179.4	0	0	0	111.2	W189 R193 Y215 V255 I256 V266	W189-L191 PolarHBondContact O-N 2.83Å; L191-R193 PolarHBondContact O-N 3.03Å; L191-Y215 HydrophobicContact CB-CE2 3.96Å; L191-Y215 HydrophobicContact CD1-CE1 4.38Å; L191-Y215 HydrophobicContact CD1-CE2 4.41Å; L191-Y215 HydrophobicContact CD2-CE1 3.98Å; L191-V255 PolarHBondContact N-O 3.17Å; L191-I256 HydrophobicContact CB-CD1 4.23Å; L191-I256 HydrophobicContact CB-CG1 3.62Å; L191-V266 HydrophobicContact CD1-CB 3.75Å; L191-V266 HydrophobicContact CD1-CG1 4.09Å; L191-V266 HydrophobicContact CD1-CG2 3.89Å
192	N	88.3	Confident	88.3	Confident	65 Å²	65	69.4 Å²	69.4	35%	0.348	34%	0.341	S	S	.	.			trans	-84.6	113.9	-179.9	-177.2	-3	0	0	0	110.8	K194 E195 Y215	N192-K194 PolarHBondContact O-N 2.83Å; N192-K194 VanDerWaalsContact O-N 3.13Å; N192-K194 WeakPolarHBondContact OD1-CB 3.36Å; N192-K194 PolarHBondContact OD1-N 2.88Å; N192-K194 VanDerWaalsContact OD1-N 3.08Å; N192-E195 HydrophobicContact CB-CB 4.47Å; N192-E195 HydrophobicContact CB-CG 4.16Å; N192-E195 PolarHBondContact ND2-OE1 3.26Å; N192-E195 VanDerWaalsContact ND2-OE1 3.12Å; N192-E195 PolarHBondContact O-N 2.8Å; N192-Y215 PolarHBondContact N-OH 2.92Å
193	R	89.6	Confident	88.5	Confident	80 Å²	80	66.8 Å²	66.8	30%	0.302	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-53.7	-35.4	179	-178.4	55.9	-172.4	87.7	-2.1	114	L191 E195 L196 I256 E258	L191-R193 PolarHBondContact O-N 3.03Å; R193-E195 PolarHBondContact O-N 2.82Å; R193-L196 PolarHBondContact NH1-O 3.24Å; R193-L196 PolarHBondContact O-N 3.17Å; R193-L196 VanDerWaalsContact O-N 3.16Å; R193-I256 HydrophobicContact CB-CG2 3.68Å; R193-I256 HydrophobicContact CG-CG2 4.23Å; R193-E258 WeakPolarHBondContact CD-OE1 3.41Å; R193-E258 HydrophobicContact CG-CG 3.97Å; R193-E258 WeakPolarHBondContact CG-OE1 3.29Å; R193-E258 IonicContact CZ-OE1 2.68Å; R193-E258 IonicContact NE-OE1 2.7Å; R193-E258 PolarHBondContact NE-OE1 2.97Å; R193-E258 IonicContact NH2-OE1 3.69Å
194	K	90.1	Very high	88.3	Confident	196 Å²	196	73 Å²	73	85%	0.852	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-66.4	-19.4	-177.8	-64	-178.5	179.2	178.3	0	113.1	N192	N192-K194 PolarHBondContact O-N 2.83Å; N192-K194 VanDerWaalsContact O-N 3.13Å; N192-K194 WeakPolarHBondContact OD1-CB 3.36Å; N192-K194 PolarHBondContact OD1-N 2.88Å; N192-K194 VanDerWaalsContact OD1-N 3.08Å
195	E	91.4	Very high	87.3	Confident	62 Å²	62	75 Å²	75	29%	0.29	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-96.5	-3.9	-179.2	-62.4	169.1	-175.9	0	0	112.2	N192 R193 Y215 R216	N192-E195 HydrophobicContact CB-CB 4.47Å; N192-E195 HydrophobicContact CB-CG 4.16Å; N192-E195 PolarHBondContact ND2-OE1 3.26Å; N192-E195 VanDerWaalsContact ND2-OE1 3.12Å; N192-E195 PolarHBondContact O-N 2.8Å; R193-E195 PolarHBondContact O-N 2.82Å; E195-Y215 HydrophobicContact CB-CD2 4.26Å; E195-Y215 HydrophobicContact CB-CE2 3.85Å; E195-Y215 PolarHBondContact OE2-OH 2.7Å; E195-R216 HydrophobicContact CB-CG 4.2Å; E195-R216 PolarHBondContact O-N 2.82Å; E195-R216 IonicContact OE1-NH2 3.13Å; E195-R216 PolarHBondContact OE1-NH2 3.07Å; E195-R216 IonicContact OE2-CZ 3.59Å; E195-R216 IonicContact OE2-NE 2.73Å; E195-R216 PolarHBondContact OE2-NE 2.65Å; E195-R216 IonicContact OE2-NH2 3.13Å; E195-R216 PolarHBondContact OE2-NH2 3.47Å
196	L	93.7	Very high	86.2	Confident	5 Å²	5	80.4 Å²	80.4	3%	0.026	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.3	174.1	-177.9	66.2	0	0	0	110.7	R193 L198 D214 Y215 V220 V222 I256	R193-L196 PolarHBondContact NH1-O 3.24Å; R193-L196 PolarHBondContact O-N 3.17Å; R193-L196 VanDerWaalsContact O-N 3.16Å; L196-L198 HydrophobicContact CD2-CD2 3.9Å; L196-L198 HydrophobicContact CD2-CG 4.5Å; L196-L198 HydrophobicContact CG-CD2 4.28Å; L196-D214 WeakPolarHBondContact CA-O 3.33Å; L196-Y215 HydrophobicContact CB-CD2 4.07Å; L196-Y215 HydrophobicContact CD1-CD2 4.38Å; L196-V220 HydrophobicContact CD1-CG2 3.89Å; L196-V222 HydrophobicContact CD1-CG2 3.98Å; L196-V222 HydrophobicContact CD2-CG1 4.2Å; L196-V222 HydrophobicContact CD2-CG2 4.15Å; L196-I256 HydrophobicContact CB-CD1 4.01Å; L196-I256 HydrophobicContact CD2-CD1 3.48Å; L196-I256 VanDerWaalsContact CD2-CD1 3.48Å; L196-I256 HydrophobicContact CG-CD1 4.33Å
197	K	95.1	Very high	85.1	Confident	144 Å²	144	73.7 Å²	73.7	63%	0.626	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.4	167.1	-62.4	177	-176.9	174.9	0	108.8	G213 D214	K197-G213 CarbonylContact O-C 3.56Å; K197-G213 WeakPolarHBondContact O-CA 3.35Å; K197-D214 HydrophobicContact CB-CB 4.35Å; K197-D214 PolarHBondContact N-O 2.76Å; K197-D214 PolarHBondContact O-N 2.79Å
198	L	93	Very high	84.4	Confident	53 Å²	53	73.6 Å²	73.6	28%	0.277	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.5	172.6	-64.1	174.9	0	0	0	109.2	L196 M211 V222 Y264	L196-L198 HydrophobicContact CD2-CD2 3.9Å; L196-L198 HydrophobicContact CD2-CG 4.5Å; L196-L198 HydrophobicContact CG-CD2 4.28Å; L198-M211 HydrophobicContact CD1-CE 3.89Å; L198-M211 HydrophobicContact CD1-SD 4.26Å; L198-M211 HydrophobicContact CD2-CE 3.92Å; L198-M211 HydrophobicContact CD2-SD 4.39Å; L198-M211 HydrophobicContact CG-CE 4.46Å; L198-V222 HydrophobicContact CD2-CB 4.03Å; L198-V222 HydrophobicContact CD2-CG1 3.91Å; L198-V222 HydrophobicContact CD2-CG2 4.05Å; L198-Y264 HydrophobicContact CD1-CE1 4.09Å
199	L	93.7	Very high	84.2	Confident	102 Å²	102	74.8 Å²	74.8	53%	0.534	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-129.9	178.8	-55	178.2	0	0	0	108.7	V212	L199-V212 WeakPolarHBondContact CA-O 3.27Å; L199-V212 HydrophobicContact CB-CB 4.43Å; L199-V212 WeakPolarHBondContact CB-O 3.38Å; L199-V212 HydrophobicContact CD1-CG1 4.12Å; L199-V212 PolarHBondContact N-O 3.17Å
200	Q	91.9	Very high	84.2	Confident	136 Å²	136	76.3 Å²	76.3	64%	0.636	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	148.2	-176.2	69.1	-161.2	23.9	0	0	113.2	I202 M211 V212	Q200-I202 HydrophobicContact CG-CG2 4.34Å; Q200-M211 WeakPolarHBondContact O-CA 3.4Å; Q200-V212 PolarHBondContact O-N 2.97Å
201	T	91.4	Very high	84.4	Confident	71 Å²	71	75.2 Å²	75.2	44%	0.436	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.1	168.8	-52.2	0	0	0	0	110.4	G203 D209	T201-G203 WeakPolarHBondContact CG2-O 3.42Å; T201-D209 HydrophobicContact CG2-CB 4.09Å
202	I	88.6	Confident	84.6	Confident	78 Å²	78	74 Å²	74	40%	0.4	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-13.9	179.6	52.9	168	0	0	0	113.8	Q200 V210 V212 Y269	Q200-I202 HydrophobicContact CG-CG2 4.34Å; I202-V210 HydrophobicContact CD1-CG1 3.92Å; I202-V210 HydrophobicContact CG1-CB 4.25Å; I202-V210 HydrophobicContact CG1-CG1 3.9Å; I202-V210 VanDerWaalsContact CG1-O 3.3Å; I202-V210 WeakPolarHBondContact CG1-O 3.42Å; I202-V210 PolarHBondContact N-O 3.16Å; I202-V212 HydrophobicContact CB-CG2 4.36Å; I202-V212 HydrophobicContact CD1-CG2 3.81Å; I202-V212 HydrophobicContact CG1-CG2 4.17Å; I202-V212 HydrophobicContact CG2-CG2 3.39Å; I202-Y269 HydrophobicContact CD1-CD2 4.45Å; I202-Y269 HydrophobicContact CD1-CE2 4.01Å
203	G	80.9	Confident	85	Confident	28 Å²	28	70.9 Å²	70.9	29%	0.289	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	150	176.7	0	0	0	0	0	111.4	T201 V210	T201-G203 WeakPolarHBondContact CG2-O 3.42Å; G203-V210 PolarHBondContact N-O 3.08Å; G203-V210 VanDerWaalsContact N-O 3.09Å; G203-V210 PolarHBondContact O-N 3.16Å
204	K	77.1	Confident	85.3	Confident	180 Å²	180	69.3 Å²	69.3	78%	0.783	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.4	167.9	-62.4	-171.4	177.2	-179.4	0	106.9
205	G	64.3	Low	85.5	Confident	43 Å²	43	61.1 Å²	61.1	44%	0.443	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	170.1	179.2	0	0	0	0	0	112.2	F207 G208	G205-F207 PolarHBondContact O-N 3.45Å; G205-G208 WeakPolarHBondContact CA-O 3.18Å; G205-G208 PolarHBondContact N-O 3.24Å; G205-G208 PolarHBondContact O-N 3.01Å
206	E	58.7	Low	85.4	Confident	166 Å²	166	62.5 Å²	62.5	78%	0.776	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.7	174.5	-170.9	175.6	176	0	0	112.1
207	F	60.7	Low	85.1	Confident	36 Å²	36	65.1 Å²	65.1	16%	0.158	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.1	-176	-53.2	-74	0	0	0	114.4	G205 T230 A233	G205-F207 PolarHBondContact O-N 3.45Å; F207-T230 HydrophobicContact CD1-CG2 4.25Å; F207-A233 HydrophobicContact CD1-CB 4.39Å; F207-A233 HydrophobicContact CE1-CB 4.15Å
208	G	70	Confident	84.8	Confident	5 Å²	5	62.4 Å²	62.4	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.3	-179.9	-178.5	0	0	0	0	0	114.4	G205 C224	G205-G208 WeakPolarHBondContact CA-O 3.18Å; G205-G208 PolarHBondContact N-O 3.24Å; G205-G208 PolarHBondContact O-N 3.01Å; G208-C224 WeakPolarHBondContact CA-O 3.35Å
209	D	81.3	Confident	85	Confident	31 Å²	31	65.7 Å²	65.7	17%	0.166	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141	176.8	-72.7	-6	0	0	0	110.3	T201 C224 K226	T201-D209 HydrophobicContact CG2-CB 4.09Å; D209-C224 PolarHBondContact O-N 3.46Å; D209-K226 WeakPolarHBondContact OD1-CE 3.31Å; D209-K226 IonicContact OD1-NZ 3.79Å; D209-K226 PolarHBondContact OD1-NZ 2.83Å; D209-K226 WeakPolarHBondContact OD2-CE 3.32Å; D209-K226 IonicContact OD2-NZ 2.76Å; D209-K226 PolarHBondContact OD2-NZ 2.88Å
210	V	89.2	Confident	85.1	Confident	40 Å²	40	60.8 Å²	60.8	24%	0.242	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.7	168.5	-172.5	0	0	0	0	107.7	I202 G203 A221 V222 K223	I202-V210 HydrophobicContact CD1-CG1 3.92Å; I202-V210 HydrophobicContact CG1-CB 4.25Å; I202-V210 HydrophobicContact CG1-CG1 3.9Å; I202-V210 VanDerWaalsContact CG1-O 3.3Å; I202-V210 WeakPolarHBondContact CG1-O 3.42Å; I202-V210 PolarHBondContact N-O 3.16Å; G203-V210 PolarHBondContact N-O 3.08Å; G203-V210 VanDerWaalsContact N-O 3.09Å; G203-V210 PolarHBondContact O-N 3.16Å; V210-A221 HydrophobicContact CG1-CB 4.48Å; V210-V222 CarbonylContact C-O 3.54Å; V210-V222 WeakPolarHBondContact CA-O 3.29Å; V210-K223 HydrophobicContact CG2-CG 4.21Å
211	M	92.5	Very high	85.3	Confident	27 Å²	27	54.9 Å²	54.9	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.3	179.4	-64	174.5	-76	0	0	110.5	L198 Q200 V222 C224 Y264	L198-M211 HydrophobicContact CD1-CE 3.89Å; L198-M211 HydrophobicContact CD1-SD 4.26Å; L198-M211 HydrophobicContact CD2-CE 3.92Å; L198-M211 HydrophobicContact CD2-SD 4.39Å; L198-M211 HydrophobicContact CG-CE 4.46Å; Q200-M211 WeakPolarHBondContact O-CA 3.4Å; M211-V222 PolarHBondContact N-O 3.49Å; M211-V222 PolarHBondContact O-N 3.13Å; M211-C224 HydrophobicContact CE-CB 3.85Å; M211-Y264 HydrophobicContact CE-CE1 4.42Å
212	V	95.2	Very high	85.4	Confident	6 Å²	6	51.5 Å²	51.5	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.1	161.1	-179.1	0	0	0	0	107.9	L199 Q200 I202 K219 V220 Y269	L199-V212 WeakPolarHBondContact CA-O 3.27Å; L199-V212 HydrophobicContact CB-CB 4.43Å; L199-V212 WeakPolarHBondContact CB-O 3.38Å; L199-V212 HydrophobicContact CD1-CG1 4.12Å; L199-V212 PolarHBondContact N-O 3.17Å; Q200-V212 PolarHBondContact O-N 2.97Å; I202-V212 HydrophobicContact CB-CG2 4.36Å; I202-V212 HydrophobicContact CD1-CG2 3.81Å; I202-V212 HydrophobicContact CG1-CG2 4.17Å; I202-V212 HydrophobicContact CG2-CG2 3.39Å; V212-K219 HydrophobicContact CG1-CD 4Å; V212-K219 HydrophobicContact CG1-CG 3.66Å; V212-V220 WeakPolarHBondContact CA-O 3.38Å; V212-Y269 HydrophobicContact CG2-CD2 4.07Å; V212-Y269 HydrophobicContact CG2-CE2 3.52Å
213	G	95.9	Very high	85.4	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	169.7	168.8	0	0	0	0	0	112.4	K197 K219 V220	K197-G213 CarbonylContact O-C 3.56Å; K197-G213 WeakPolarHBondContact O-CA 3.35Å; G213-K219 WeakPolarHBondContact O-CA 3.46Å; G213-V220 PolarHBondContact N-O 3.47Å; G213-V220 WeakPolarHBondContact O-CG2 3.42Å; G213-V220 PolarHBondContact O-N 2.79Å
214	D	96.1	Very high	85.5	Confident	46 Å²	46	48.6 Å²	48.6	25%	0.246	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.4	163	-179.1	-92	0	0	0	108.2	L196 K197 G217 T218	L196-D214 WeakPolarHBondContact CA-O 3.33Å; K197-D214 HydrophobicContact CB-CB 4.35Å; K197-D214 PolarHBondContact N-O 2.76Å; K197-D214 PolarHBondContact O-N 2.79Å; D214-G217 WeakPolarHBondContact OD1-CA 3.36Å; D214-G217 PolarHBondContact OD1-N 3.26Å; D214-G217 WeakPolarHBondContact OD2-CA 3.44Å; D214-G217 PolarHBondContact OD2-N 2.96Å; D214-T218 WeakPolarHBondContact CA-O 3.22Å
215	Y	94.1	Very high	85.3	Confident	25 Å²	25	40.6 Å²	40.6	10%	0.098	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	108.1	171.6	-171.4	-102.7	0	0	0	108.3	L191 N192 E195 L196 G217 T218	L191-Y215 HydrophobicContact CB-CE2 3.96Å; L191-Y215 HydrophobicContact CD1-CE1 4.38Å; L191-Y215 HydrophobicContact CD1-CE2 4.41Å; L191-Y215 HydrophobicContact CD2-CE1 3.98Å; N192-Y215 PolarHBondContact N-OH 2.92Å; E195-Y215 HydrophobicContact CB-CD2 4.26Å; E195-Y215 HydrophobicContact CB-CE2 3.85Å; E195-Y215 PolarHBondContact OE2-OH 2.7Å; L196-Y215 HydrophobicContact CB-CD2 4.07Å; L196-Y215 HydrophobicContact CD1-CD2 4.38Å; Y215-G217 VanDerWaalsContact C-N 3.31Å; Y215-G217 PolarHBondContact O-N 2.84Å; Y215-T218 PolarHBondContact N-O 3.47Å; Y215-T218 WeakPolarHBondContact O-CB 3.29Å; Y215-T218 PolarHBondContact O-N 3.46Å
216	R	89.4	Confident	85.1	Confident	90 Å²	90	43.9 Å²	43.9	34%	0.34	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	42.3	-178.1	-56.5	177.2	176.8	-155.9	-15	113.8	K33 G34 D35 E195 T218	K33-R216 PolarHBondContact O-NH1 3.49Å; K33-R216 PolarHBondContact O-NH2 2.84Å; G34-R216 VanDerWaalsContact C-NH1 3.25Å; G34-R216 VanDerWaalsContact CA-NH1 3.33Å; D35-R216 IonicContact OD1-NH1 3.44Å; E195-R216 HydrophobicContact CB-CG 4.2Å; E195-R216 PolarHBondContact O-N 2.82Å; E195-R216 IonicContact OE1-NH2 3.13Å; E195-R216 PolarHBondContact OE1-NH2 3.07Å; E195-R216 IonicContact OE2-CZ 3.59Å; E195-R216 IonicContact OE2-NE 2.73Å; E195-R216 PolarHBondContact OE2-NE 2.65Å; E195-R216 IonicContact OE2-NH2 3.13Å; E195-R216 PolarHBondContact OE2-NH2 3.47Å; R216-T218 PolarHBondContact O-N 3.23Å
217	G	88.3	Confident	85.3	Confident	61 Å²	61	39.6 Å²	39.6	63%	0.629	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	1.1	-179.1	0	0	0	0	0	114.6	D214 Y215	D214-G217 WeakPolarHBondContact OD1-CA 3.36Å; D214-G217 PolarHBondContact OD1-N 3.26Å; D214-G217 WeakPolarHBondContact OD2-CA 3.44Å; D214-G217 PolarHBondContact OD2-N 2.96Å; Y215-G217 VanDerWaalsContact C-N 3.31Å; Y215-G217 PolarHBondContact O-N 2.84Å
218	T	89.5	Confident	85.5	Confident	86 Å²	86	39.1 Å²	39.1	53%	0.528	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.5	174.5	-56.2	0	0	0	0	109.6	D214 Y215 R216 V220	D214-T218 WeakPolarHBondContact CA-O 3.22Å; Y215-T218 PolarHBondContact N-O 3.47Å; Y215-T218 WeakPolarHBondContact O-CB 3.29Å; Y215-T218 PolarHBondContact O-N 3.46Å; R216-T218 PolarHBondContact O-N 3.23Å; T218-V220 PolarHBondContact O-N 3.49Å
219	K	95.3	Very high	85.2	Confident	122 Å²	122	43.3 Å²	43.3	53%	0.53	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.2	175.5	-167.3	177.6	-72.1	177.4	0	110.2	V212 G213 Y269	V212-K219 HydrophobicContact CG1-CD 4Å; V212-K219 HydrophobicContact CG1-CG 3.66Å; G213-K219 WeakPolarHBondContact O-CA 3.46Å; K219-Y269 HydrophobicContact CB-CD1 4.45Å; K219-Y269 HydrophobicContact CD-CD1 3.29Å; K219-Y269 HydrophobicContact CD-CE1 3.38Å; K219-Y269 HydrophobicContact CD-CG 3.88Å; K219-Y269 HydrophobicContact CG-CD1 3.74Å; K219-Y269 HydrophobicContact CG-CE1 4.27Å; K219-Y269 HydrophobicContact CG-CG 3.84Å; K219-Y269 WeakPolarHBondContact O-CB 3.23Å
220	V	96.7	Very high	84.5	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.2	-176	-62.6	0	0	0	0	111.3	L196 V212 G213 T218 V222 L253 V266	L196-V220 HydrophobicContact CD1-CG2 3.89Å; V212-V220 WeakPolarHBondContact CA-O 3.38Å; G213-V220 PolarHBondContact N-O 3.47Å; G213-V220 WeakPolarHBondContact O-CG2 3.42Å; G213-V220 PolarHBondContact O-N 2.79Å; T218-V220 PolarHBondContact O-N 3.49Å; V220-V222 HydrophobicContact CG2-CG2 3.85Å; V220-L253 HydrophobicContact CB-CD1 4.3Å; V220-L253 HydrophobicContact CG1-CD1 3.42Å; V220-L253 VanDerWaalsContact CG1-CD1 3.42Å; V220-V266 HydrophobicContact CB-CG1 3.73Å; V220-V266 HydrophobicContact CG1-CG1 3.99Å; V220-V266 HydrophobicContact CG2-CG1 3.8Å
221	A	95.6	Very high	83.6	Confident	11 Å²	11	41.2 Å²	41.2	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.7	164.6	0	0	0	0	0	109	V210 V266 T267 Y269	V210-A221 HydrophobicContact CG1-CB 4.48Å; A221-V266 WeakPolarHBondContact O-CA 3Å; A221-T267 PolarHBondContact N-O 3Å; A221-T267 PolarHBondContact O-N 3.02Å; A221-Y269 HydrophobicContact CB-CD2 4.48Å
222	V	93.5	Very high	82.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.9	-175.2	-171.2	0	0	0	0	109	L196 L198 V210 M211 V220 Y264 I265	L196-V222 HydrophobicContact CD1-CG2 3.98Å; L196-V222 HydrophobicContact CD2-CG1 4.2Å; L196-V222 HydrophobicContact CD2-CG2 4.15Å; L198-V222 HydrophobicContact CD2-CB 4.03Å; L198-V222 HydrophobicContact CD2-CG1 3.91Å; L198-V222 HydrophobicContact CD2-CG2 4.05Å; V210-V222 CarbonylContact C-O 3.54Å; V210-V222 WeakPolarHBondContact CA-O 3.29Å; M211-V222 PolarHBondContact N-O 3.49Å; M211-V222 PolarHBondContact O-N 3.13Å; V220-V222 HydrophobicContact CG2-CG2 3.85Å; V222-Y264 HydrophobicContact CG1-CD1 3.5Å; V222-Y264 VanDerWaalsContact CG1-CD1 3.5Å; V222-Y264 HydrophobicContact CG1-CE1 4.43Å; V222-Y264 HydrophobicContact CG1-CG 4.04Å; V222-I265 WeakPolarHBondContact CA-O 3.41Å
223	K	89.4	Confident	81.6	Confident	27 Å²	27	44.9 Å²	44.9	12%	0.117	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	172	-162.1	-178.9	-177.9	178.1	0	108	V210 F234 E237 Y264 I265	V210-K223 HydrophobicContact CG2-CG 4.21Å; K223-F234 HydrophobicContact CB-CE2 3.98Å; K223-F234 HydrophobicContact CB-CZ 4.44Å; K223-F234 HydrophobicContact CD-CD2 4.27Å; K223-F234 HydrophobicContact CD-CE2 3.89Å; K223-F234 HydrophobicContact CG-CE2 3.78Å; K223-F234 WeakPolarHBondContact O-CZ 3.32Å; K223-E237 VanDerWaalsContact NZ-CD 3.32Å; K223-E237 IonicContact NZ-OE1 2.86Å; K223-E237 PolarHBondContact NZ-OE1 3.16Å; K223-E237 VanDerWaalsContact NZ-OE1 3.14Å; K223-E237 IonicContact NZ-OE2 2.86Å; K223-E237 PolarHBondContact NZ-OE2 2.96Å; K223-Y264 WeakPolarHBondContact O-CA 3.44Å; K223-I265 HydrophobicContact CB-CB 4.35Å; K223-I265 PolarHBondContact N-O 3Å; K223-I265 PolarHBondContact O-N 3.08Å
224	C	82.3	Confident	80.6	Confident	18 Å²	18	44.9 Å²	44.9	12%	0.122	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.9	179.8	-173.4	0	0	0	0	110.8	G208 D209 M211 Y264	G208-C224 WeakPolarHBondContact CA-O 3.35Å; D209-C224 PolarHBondContact O-N 3.46Å; M211-C224 HydrophobicContact CE-CB 3.85Å; C224-Y264 HydrophobicContact CB-CD1 3.91Å; C224-Y264 HydrophobicContact CB-CE1 3.9Å; C224-Y264 VanDerWaalsContact SG-CE1 3.54Å
225	I	72.8	Confident	79.7	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.067	24%	0.244	C	C	.	.			trans	-74.6	132.9	172.5	-55.7	-168.5	0	0	0	110.1	L80 N227 A231 F234 L263	L80-I225 HydrophobicContact CD1-CD1 3.89Å; I225-N227 VanDerWaalsContact CG2-O 3.25Å; I225-N227 WeakPolarHBondContact CG2-O 3.36Å; I225-A231 HydrophobicContact CD1-CB 4.47Å; I225-F234 HydrophobicContact CD1-CB 3.47Å; I225-F234 VanDerWaalsContact CD1-CB 3.47Å; I225-F234 HydrophobicContact CD1-CD1 3.4Å; I225-F234 HydrophobicContact CD1-CD2 3.9Å; I225-F234 HydrophobicContact CD1-CE1 3.86Å; I225-F234 HydrophobicContact CD1-CE2 4.34Å; I225-F234 HydrophobicContact CD1-CG 3.35Å; I225-F234 HydrophobicContact CD1-CZ 4.28Å; I225-F234 HydrophobicContact CG1-CB 4.01Å; I225-F234 HydrophobicContact CG1-CD1 3.74Å; I225-F234 HydrophobicContact CG1-CD2 3.49Å; I225-F234 VanDerWaalsContact CG1-CD2 3.49Å; I225-F234 HydrophobicContact CG1-CE1 3.8Å; I225-F234 HydrophobicContact CG1-CE2 3.59Å; I225-F234 HydrophobicContact CG1-CG 3.5Å; I225-F234 HydrophobicContact CG1-CZ 3.71Å; I225-L263 HydrophobicContact CD1-CB 3.69Å; I225-L263 HydrophobicContact CD1-CD2 3.97Å; I225-L263 HydrophobicContact CD1-CG 4.32Å; I225-L263 HydrophobicContact CG1-CB 4.02Å; I225-L263 PolarHBondContact N-O 3.37Å
226	K	61.5	Low	78.9	Confident	112 Å²	112	43.9 Å²	43.9	49%	0.487	26%	0.259	S	S	.	.			trans	-101.7	-21	177.2	-70.5	-173.2	168	-176	0	114.6	D209	D209-K226 WeakPolarHBondContact OD1-CE 3.31Å; D209-K226 IonicContact OD1-NZ 3.79Å; D209-K226 PolarHBondContact OD1-NZ 2.83Å; D209-K226 WeakPolarHBondContact OD2-CE 3.32Å; D209-K226 IonicContact OD2-NZ 2.76Å; D209-K226 PolarHBondContact OD2-NZ 2.88Å
227	N	62.5	Low	78.6	Confident	76 Å²	76	40.1 Å²	40.1	41%	0.406	25%	0.245	S	C	.	.			trans	-152.4	157.5	-177.8	65.1	25.4	0	0	0	113.5	I225 A229 T230 A231	I225-N227 VanDerWaalsContact CG2-O 3.25Å; I225-N227 WeakPolarHBondContact CG2-O 3.36Å; N227-A229 VanDerWaalsContact C-N 3.26Å; N227-A229 PolarHBondContact O-N 2.69Å; N227-T230 PolarHBondContact O-N 2.88Å; N227-T230 PolarHBondContact O-OG1 3.49Å; N227-T230 WeakPolarHBondContact OD1-CB 3.41Å; N227-T230 WeakPolarHBondContact OD1-CG2 3.41Å; N227-T230 PolarHBondContact OD1-N 2.79Å; N227-T230 VanDerWaalsContact OD1-N 3.12Å; N227-T230 PolarHBondContact OD1-OG1 2.97Å; N227-A231 PolarHBondContact O-N 2.87Å
228	D	64.6	Low	78.5	Confident	26 Å²	26	37.2 Å²	37.2	14%	0.139	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-29.9	-177.8	-65.6	-25.6	0	0	0	113.1	M81 L150 M151 T230 A231	M81-D228 HydrophobicContact CE-CB 3.73Å; M81-D228 HydrophobicContact SD-CB 4.05Å; L150-D228 WeakPolarHBondContact CB-OD2 3.12Å; L150-D228 PolarHBondContact N-OD2 2.92Å; M151-D228 WeakPolarHBondContact CE-OD1 3.44Å; D228-T230 VanDerWaalsContact C-N 3.27Å; D228-T230 PolarHBondContact O-N 2.88Å; D228-A231 WeakPolarHBondContact O-CB 3.39Å; D228-A231 PolarHBondContact O-N 2.86Å
229	A	62.8	Low	78.2	Confident	93 Å²	93	33.7 Å²	33.7	77%	0.769	19%	0.194	S	C	*	.	H	α-helix	trans	-64.9	-29.3	179.9	0	0	0	0	0	113.3	N227	N227-A229 VanDerWaalsContact C-N 3.26Å; N227-A229 PolarHBondContact O-N 2.69Å
230	T	66.8	Low	77.7	Confident	23 Å²	23	28.5 Å²	28.5	14%	0.141	17%	0.173	C	C	.	.	H	α-helix	trans	-97.6	-7.4	178.9	57.4	0	0	0	0	113.3	F207 N227 D228 Q232 A233 F234	F207-T230 HydrophobicContact CD1-CG2 4.25Å; N227-T230 PolarHBondContact O-N 2.88Å; N227-T230 PolarHBondContact O-OG1 3.49Å; N227-T230 WeakPolarHBondContact OD1-CB 3.41Å; N227-T230 WeakPolarHBondContact OD1-CG2 3.41Å; N227-T230 PolarHBondContact OD1-N 2.79Å; N227-T230 VanDerWaalsContact OD1-N 3.12Å; N227-T230 PolarHBondContact OD1-OG1 2.97Å; D228-T230 VanDerWaalsContact C-N 3.27Å; D228-T230 PolarHBondContact O-N 2.88Å; T230-Q232 VanDerWaalsContact C-N 3.32Å; T230-Q232 PolarHBondContact O-N 2.91Å; T230-A233 PolarHBondContact O-N 3.29Å; T230-F234 PolarHBondContact O-N 2.99Å; T230-F234 VanDerWaalsContact O-N 3.12Å
231	A	71.3	Confident	77.4	Confident	3 Å²	3	28.9 Å²	28.9	3%	0.025	17%	0.174	C	C	.	.	H	α-helix	trans	-51.7	-47.9	-179.1	0	0	0	0	0	112.9	L80 I225 N227 D228 F234 I235	L80-A231 HydrophobicContact CD1-CB 3.82Å; I225-A231 HydrophobicContact CD1-CB 4.47Å; N227-A231 PolarHBondContact O-N 2.87Å; D228-A231 WeakPolarHBondContact O-CB 3.39Å; D228-A231 PolarHBondContact O-N 2.86Å; A231-F234 WeakPolarHBondContact O-CB 3.49Å; A231-F234 PolarHBondContact O-N 3.44Å; A231-I235 VanDerWaalsContact O-CG1 3.28Å; A231-I235 WeakPolarHBondContact O-CG1 3.42Å; A231-I235 PolarHBondContact O-N 3.33Å
232	Q	72.5	Confident	77	Confident	78 Å²	78	28.8 Å²	28.8	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-67.8	-41.1	-176.1	-166.8	60.9	22.2	0	0	113.1	L78 T230 F234 I235 A236	L78-Q232 PolarHBondContact O-NE2 2.76Å; L78-Q232 PolarHBondContact O-OE1 2.69Å; T230-Q232 VanDerWaalsContact C-N 3.32Å; T230-Q232 PolarHBondContact O-N 2.91Å; Q232-F234 VanDerWaalsContact C-N 3.27Å; Q232-F234 PolarHBondContact O-N 3.16Å; Q232-I235 PolarHBondContact O-N 3.31Å; Q232-A236 WeakPolarHBondContact O-CB 3.47Å; Q232-A236 PolarHBondContact O-N 2.84Å
233	A	72.2	Confident	76.7	Confident	33 Å²	33	30.7 Å²	30.7	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-63.6	-38.1	177.4	0	0	0	0	0	111	F207 T230 A236 E237	F207-A233 HydrophobicContact CD1-CB 4.39Å; F207-A233 HydrophobicContact CE1-CB 4.15Å; T230-A233 PolarHBondContact O-N 3.29Å; A233-A236 WeakPolarHBondContact O-CB 3.29Å; A233-A236 PolarHBondContact O-N 3.14Å; A233-E237 PolarHBondContact O-N 3.26Å
234	F	75.9	Confident	76.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-41.8	178.3	-170.4	-80.8	0	0	0	113	K223 I225 T230 A231 Q232 A236 E237 A238 L263 I265	K223-F234 HydrophobicContact CB-CE2 3.98Å; K223-F234 HydrophobicContact CB-CZ 4.44Å; K223-F234 HydrophobicContact CD-CD2 4.27Å; K223-F234 HydrophobicContact CD-CE2 3.89Å; K223-F234 HydrophobicContact CG-CE2 3.78Å; K223-F234 WeakPolarHBondContact O-CZ 3.32Å; I225-F234 HydrophobicContact CD1-CB 3.47Å; I225-F234 VanDerWaalsContact CD1-CB 3.47Å; I225-F234 HydrophobicContact CD1-CD1 3.4Å; I225-F234 HydrophobicContact CD1-CD2 3.9Å; I225-F234 HydrophobicContact CD1-CE1 3.86Å; I225-F234 HydrophobicContact CD1-CE2 4.34Å; I225-F234 HydrophobicContact CD1-CG 3.35Å; I225-F234 HydrophobicContact CD1-CZ 4.28Å; I225-F234 HydrophobicContact CG1-CB 4.01Å; I225-F234 HydrophobicContact CG1-CD1 3.74Å; I225-F234 HydrophobicContact CG1-CD2 3.49Å; I225-F234 VanDerWaalsContact CG1-CD2 3.49Å; I225-F234 HydrophobicContact CG1-CE1 3.8Å; I225-F234 HydrophobicContact CG1-CE2 3.59Å; I225-F234 HydrophobicContact CG1-CG 3.5Å; I225-F234 HydrophobicContact CG1-CZ 3.71Å; T230-F234 PolarHBondContact O-N 2.99Å; T230-F234 VanDerWaalsContact O-N 3.12Å; A231-F234 WeakPolarHBondContact O-CB 3.49Å; A231-F234 PolarHBondContact O-N 3.44Å; Q232-F234 VanDerWaalsContact C-N 3.27Å; Q232-F234 PolarHBondContact O-N 3.16Å; F234-A236 VanDerWaalsContact C-N 3.28Å; F234-A236 PolarHBondContact O-N 3.26Å; F234-E237 WeakPolarHBondContact O-CB 3.44Å; F234-E237 PolarHBondContact O-N 3.28Å; F234-A238 PolarHBondContact O-N 3.12Å; F234-L263 HydrophobicContact CD1-CD2 3.39Å; F234-L263 HydrophobicContact CD1-CG 4.07Å; F234-L263 HydrophobicContact CE1-CB 4.1Å; F234-L263 HydrophobicContact CE1-CD2 3.42Å; F234-L263 VanDerWaalsContact CE1-CD2 3.42Å; F234-L263 HydrophobicContact CE1-CG 3.58Å; F234-I265 HydrophobicContact CD1-CD1 3.4Å; F234-I265 VanDerWaalsContact CD1-CD1 3.4Å; F234-I265 HydrophobicContact CD1-CG1 3.9Å; F234-I265 HydrophobicContact CD2-CD1 3.92Å; F234-I265 HydrophobicContact CE1-CB 3.95Å; F234-I265 HydrophobicContact CE1-CD1 3.26Å; F234-I265 HydrophobicContact CE1-CG1 3.24Å; F234-I265 HydrophobicContact CE2-CB 4.29Å; F234-I265 HydrophobicContact CE2-CD1 3.76Å; F234-I265 HydrophobicContact CE2-CG1 4.22Å; F234-I265 HydrophobicContact CG-CD1 3.8Å; F234-I265 HydrophobicContact CZ-CB 3.61Å; F234-I265 HydrophobicContact CZ-CD1 3.47Å; F234-I265 VanDerWaalsContact CZ-CD1 3.47Å; F234-I265 HydrophobicContact CZ-CG1 3.45Å; F234-I265 VanDerWaalsContact CZ-CG1 3.45Å; F234-I265 VanDerWaalsContact CZ-N 3.32Å
235	I	77.7	Confident	77	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-40.4	173.8	-62	162	0	0	0	110.5	L78 L80 A180 F184 A231 Q232 A238 S239 L263	L78-I235 HydrophobicContact CB-CG2 3.33Å; L78-I235 HydrophobicContact CD1-CG2 3.66Å; L78-I235 HydrophobicContact CG-CG2 4.11Å; L80-I235 HydrophobicContact CB-CD1 3.94Å; L80-I235 HydrophobicContact CD1-CD1 3.81Å; L80-I235 HydrophobicContact CD1-CG1 3.86Å; L80-I235 HydrophobicContact CG-CD1 3.46Å; L80-I235 VanDerWaalsContact CG-CD1 3.46Å; L80-I235 HydrophobicContact CG-CG1 3.84Å; A180-I235 HydrophobicContact CB-CD1 4.18Å; A180-I235 HydrophobicContact CB-CG1 4.34Å; A180-I235 HydrophobicContact CB-CG2 4.25Å; F184-I235 HydrophobicContact CE2-CG2 4.3Å; F184-I235 HydrophobicContact CZ-CG2 4.43Å; A231-I235 VanDerWaalsContact O-CG1 3.28Å; A231-I235 WeakPolarHBondContact O-CG1 3.42Å; A231-I235 PolarHBondContact O-N 3.33Å; Q232-I235 PolarHBondContact O-N 3.31Å; I235-A238 PolarHBondContact O-N 2.85Å; I235-S239 VanDerWaalsContact O-CB 3.26Å; I235-S239 WeakPolarHBondContact O-CB 3.25Å; I235-S239 PolarHBondContact O-N 3.27Å; I235-L263 HydrophobicContact CG1-CD2 4.11Å
236	A	77	Confident	78	Confident	49 Å²	49	35.9 Å²	35.9	41%	0.405	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-43.9	176.1	0	0	0	0	0	111.3	Q232 A233 F234 S239 V240	Q232-A236 WeakPolarHBondContact O-CB 3.47Å; Q232-A236 PolarHBondContact O-N 2.84Å; A233-A236 WeakPolarHBondContact O-CB 3.29Å; A233-A236 PolarHBondContact O-N 3.14Å; F234-A236 VanDerWaalsContact C-N 3.28Å; F234-A236 PolarHBondContact O-N 3.26Å; A236-S239 PolarHBondContact O-N 2.82Å; A236-V240 WeakPolarHBondContact O-CG2 3.22Å; A236-V240 PolarHBondContact O-N 3.18Å
237	E	83.3	Confident	79.5	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-53	173.3	-174.3	178	-173.6	0	0	111.2	K223 A233 F234 S239 V240 M241 I265 F334	K223-E237 VanDerWaalsContact NZ-CD 3.32Å; K223-E237 IonicContact NZ-OE1 2.86Å; K223-E237 PolarHBondContact NZ-OE1 3.16Å; K223-E237 VanDerWaalsContact NZ-OE1 3.14Å; K223-E237 IonicContact NZ-OE2 2.86Å; K223-E237 PolarHBondContact NZ-OE2 2.96Å; A233-E237 PolarHBondContact O-N 3.26Å; F234-E237 WeakPolarHBondContact O-CB 3.44Å; F234-E237 PolarHBondContact O-N 3.28Å; E237-S239 VanDerWaalsContact C-N 3.33Å; E237-S239 PolarHBondContact O-N 3.29Å; E237-V240 PolarHBondContact O-N 2.58Å; E237-M241 HydrophobicContact CG-SD 4.21Å; E237-M241 VanDerWaalsContact O-CG 3.29Å; E237-M241 WeakPolarHBondContact O-CG 3.46Å; E237-M241 PolarHBondContact O-N 2.95Å; E237-I265 HydrophobicContact CB-CD1 4.43Å; E237-I265 HydrophobicContact CG-CD1 4.41Å; E237-F334 HydrophobicContact CG-CB 4.22Å
238	A	85	Confident	81.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-45	178.3	0	0	0	0	0	112	F184 F234 I235 V240 M241 T242 V255 I265	F184-A238 HydrophobicContact CE1-CB 4.11Å; F184-A238 HydrophobicContact CE2-CB 4.49Å; F184-A238 HydrophobicContact CZ-CB 3.66Å; F234-A238 PolarHBondContact O-N 3.12Å; I235-A238 PolarHBondContact O-N 2.85Å; A238-V240 VanDerWaalsContact C-N 3.35Å; A238-V240 PolarHBondContact O-N 2.98Å; A238-M241 PolarHBondContact O-N 2.81Å; A238-M241 VanDerWaalsContact O-N 3.16Å; A238-T242 VanDerWaalsContact O-CG2 3.22Å; A238-T242 WeakPolarHBondContact O-CG2 3.26Å; A238-T242 PolarHBondContact O-N 2.86Å; A238-V255 HydrophobicContact CB-CG2 4.1Å; A238-I265 HydrophobicContact CB-CD1 3.84Å; A238-I265 HydrophobicContact CB-CG1 3.9Å
239	S	84.1	Confident	82.8	Confident	13 Å²	13	32.5 Å²	32.5	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-42	178.4	168	0	0	0	0	112	V72 I235 A236 E237 T242 Q243	V72-S239 PolarHBondContact O-OG 3.08Å; I235-S239 VanDerWaalsContact O-CB 3.26Å; I235-S239 WeakPolarHBondContact O-CB 3.25Å; I235-S239 PolarHBondContact O-N 3.27Å; A236-S239 PolarHBondContact O-N 2.82Å; E237-S239 VanDerWaalsContact C-N 3.33Å; E237-S239 PolarHBondContact O-N 3.29Å; S239-T242 PolarHBondContact O-OG1 3.45Å; S239-Q243 PolarHBondContact O-NE2 3.32Å
240	V	85.4	Confident	84.4	Confident	13 Å²	13	28.4 Å²	28.4	8%	0.079	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-50.7	172.3	169.6	0	0	0	0	110	A236 E237 A238 T242 Q243 L244 F311 F334 T337	A236-V240 WeakPolarHBondContact O-CG2 3.22Å; A236-V240 PolarHBondContact O-N 3.18Å; E237-V240 PolarHBondContact O-N 2.58Å; A238-V240 VanDerWaalsContact C-N 3.35Å; A238-V240 PolarHBondContact O-N 2.98Å; V240-T242 PolarHBondContact O-N 2.94Å; V240-T242 VanDerWaalsContact O-N 3.16Å; V240-Q243 WeakPolarHBondContact O-CB 3.4Å; V240-Q243 PolarHBondContact O-N 3.44Å; V240-L244 HydrophobicContact CG1-CD1 3.66Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CG 3.18Å; V240-F311 HydrophobicContact CG1-CD1 4.3Å; V240-F311 HydrophobicContact CG1-CE1 4.06Å; V240-F311 HydrophobicContact CG2-CE1 4.24Å; V240-F334 HydrophobicContact CG1-CB 4.19Å; V240-T337 HydrophobicContact CG1-CG2 3.72Å
241	M	89.1	Confident	85.7	Confident	7 Å²	7	29.1 Å²	29.1	3%	0.034	15%	0.154	C	C	.	.	H	α-helix	trans	-60.7	-28.6	-177	-64.9	-179.7	81.4	0	0	113.7	E237 A238 Q243 L244 V250 L252 I265 T267 F334	E237-M241 HydrophobicContact CG-SD 4.21Å; E237-M241 VanDerWaalsContact O-CG 3.29Å; E237-M241 WeakPolarHBondContact O-CG 3.46Å; E237-M241 PolarHBondContact O-N 2.95Å; A238-M241 PolarHBondContact O-N 2.81Å; A238-M241 VanDerWaalsContact O-N 3.16Å; M241-Q243 PolarHBondContact O-N 3.14Å; M241-L244 PolarHBondContact O-N 2.92Å; M241-V250 WeakPolarHBondContact CE-O 3.28Å; M241-L252 HydrophobicContact CB-CB 3.82Å; M241-L252 HydrophobicContact CB-CD2 4.01Å; M241-L252 HydrophobicContact CB-CG 4.41Å; M241-L252 HydrophobicContact CE-CB 4.09Å; M241-I265 HydrophobicContact SD-CG2 4.41Å; M241-T267 HydrophobicContact CE-CG2 3.57Å; M241-T267 HydrophobicContact SD-CG2 4.47Å; M241-F334 HydrophobicContact CE-CD2 4.03Å; M241-F334 HydrophobicContact CE-CE2 4.07Å; M241-F334 HydrophobicContact CG-CB 4.28Å; M241-F334 HydrophobicContact CG-CD2 3.52Å; M241-F334 HydrophobicContact CG-CE2 4.2Å; M241-F334 HydrophobicContact CG-CG 4.17Å; M241-F334 HydrophobicContact SD-CD2 3.98Å
242	T	88	Confident	86.7	Confident	9 Å²	9	29 Å²	29	6%	0.055	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18	173.8	67.7	0	0	0	0	114	V72 F184 W189 A238 S239 V240 L252	V72-T242 HydrophobicContact CB-CG2 4.19Å; V72-T242 HydrophobicContact CG2-CG2 3.95Å; V72-T242 PolarHBondContact N-OG1 3.28Å; F184-T242 HydrophobicContact CD1-CG2 4.31Å; F184-T242 HydrophobicContact CE1-CG2 3.9Å; W189-T242 HydrophobicContact CD2-CG2 3.68Å; W189-T242 HydrophobicContact CE3-CG2 4.21Å; W189-T242 HydrophobicContact CG-CG2 3.86Å; W189-T242 HydrophobicContact CZ2-CG2 4.24Å; W189-T242 WeakPolarHBondContact CZ2-O 3.39Å; A238-T242 VanDerWaalsContact O-CG2 3.22Å; A238-T242 WeakPolarHBondContact O-CG2 3.26Å; A238-T242 PolarHBondContact O-N 2.86Å; S239-T242 PolarHBondContact O-OG1 3.45Å; V240-T242 PolarHBondContact O-N 2.94Å; V240-T242 VanDerWaalsContact O-N 3.16Å; T242-L252 HydrophobicContact CG2-CD2 3.79Å
243	Q	87.5	Confident	87.6	Confident	41 Å²	41	28 Å²	28	19%	0.192	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-8	-177.8	-59.7	174.6	69.9	0	0	112.5	V72 K73 S239 V240 M241 F311	V72-Q243 PolarHBondContact O-NE2 2.93Å; K73-Q243 VanDerWaalsContact CE-OE1 3.29Å; K73-Q243 HydrophobicContact CG-CG 4.47Å; S239-Q243 PolarHBondContact O-NE2 3.32Å; V240-Q243 WeakPolarHBondContact O-CB 3.4Å; V240-Q243 PolarHBondContact O-N 3.44Å; M241-Q243 PolarHBondContact O-N 3.14Å; Q243-F311 HydrophobicContact CB-CE2 4.48Å; Q243-F311 HydrophobicContact CB-CZ 4.36Å
244	L	88.7	Confident	88.5	Confident	9 Å²	9	26.4 Å²	26.4	5%	0.047	14%	0.137	C	C	.	.			trans	-105.3	126	-174.3	-58.8	-178.4	0	0	0	110.3	V240 M241 L249 Y305 L306 F311 F334	V240-L244 HydrophobicContact CG1-CD1 3.66Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CG 3.18Å; M241-L244 PolarHBondContact O-N 2.92Å; L244-L249 HydrophobicContact CB-CD1 4.02Å; L244-L249 HydrophobicContact CD1-CD1 4.33Å; L244-Y305 HydrophobicContact CB-CE1 4.46Å; L244-Y305 HydrophobicContact CD2-CE1 4Å; L244-L306 HydrophobicContact CD1-CD2 3.85Å; L244-L306 HydrophobicContact CD2-CD2 3.64Å; L244-L306 HydrophobicContact CG-CD2 4.37Å; L244-F311 HydrophobicContact CD2-CD2 3.65Å; L244-F311 HydrophobicContact CD2-CE2 3.76Å; L244-F311 HydrophobicContact CD2-CG 4.32Å; L244-F334 HydrophobicContact CD1-CD1 3.72Å; L244-F334 HydrophobicContact CD1-CE1 3.68Å; L244-F334 HydrophobicContact CD1-CG 4.23Å; L244-F334 HydrophobicContact CD1-CZ 4.14Å
245	R	88.1	Confident	89.2	Confident	108 Å²	108	26.4 Å²	26.4	41%	0.408	14%	0.137	S	C	.	.			trans	-143.8	104	175.3	-168.2	170.2	-177.7	-150.5	4.4	110.5	G12 E14 Y305	G12-R245 PolarHBondContact O-NH1 3.04Å; E14-R245 VanDerWaalsContact CG-CZ 3.5Å; E14-R245 IonicContact OE1-CZ 3.92Å; E14-R245 IonicContact OE1-NE 3.99Å; E14-R245 PolarHBondContact OE1-NE 3.42Å; E14-R245 IonicContact OE1-NH1 3.87Å; E14-R245 IonicContact OE1-NH2 3.59Å; E14-R245 PolarHBondContact OE1-NH2 2.9Å; E14-R245 IonicContact OE2-CZ 2.81Å; E14-R245 IonicContact OE2-NE 2.63Å; E14-R245 PolarHBondContact OE2-NE 3.02Å; E14-R245 IonicContact OE2-NH1 2.68Å; E14-R245 IonicContact OE2-NH2 3.66Å; R245-Y305 PolarHBondContact N-OH 2.93Å; R245-Y305 VanDerWaalsContact O-CE2 3.29Å; R245-Y305 WeakPolarHBondContact O-CE2 3.42Å; R245-Y305 VanDerWaalsContact O-CZ 3.27Å; R245-Y305 PolarHBondContact O-OH 3.37Å
246	H	93.8	Very high	89.7	Confident	49 Å²	49	26.5 Å²	26.5	23%	0.227	14%	0.138	C	C	.	.			trans	-156.1	146.7	179.2	-171.8	-97.7	0	0	0	110.3	N248 L249 Y305	H246-N248 PolarHBondContact CE1-OD1 3.46Å; H246-N248 VanDerWaalsContact CE1-OD1 3.3Å; H246-N248 PolarHBondContact ND1-N 3.29Å; H246-N248 VanDerWaalsContact ND1-N 3.11Å; H246-N248 PolarHBondContact O-N 2.87Å; H246-L249 HydrophobicContact CB-CB 4.25Å; H246-L249 HydrophobicContact CB-CD1 3.86Å; H246-L249 HydrophobicContact CB-CG 3.89Å; H246-L249 PolarHBondContact O-N 2.84Å; H246-L249 VanDerWaalsContact O-N 3.07Å; H246-Y305 HydrophobicContact CB-CD1 3.92Å; H246-Y305 HydrophobicContact CB-CD2 4.05Å; H246-Y305 HydrophobicContact CB-CE1 4.21Å; H246-Y305 HydrophobicContact CB-CE2 4.33Å; H246-Y305 HydrophobicContact CB-CG 3.83Å; H246-Y305 AromaticContact CD2-CD2 3.78Å; H246-Y305 AromaticContact CD2-CG 3.89Å; H246-Y305 AromaticContact CG-CG 3.93Å
247	N	94.1	Very high	89.8	Confident	132 Å²	132	25.6 Å²	25.6	71%	0.706	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.7	-176.2	-71.1	-23	0	0	0	113.5	K330	N247-K330 WeakPolarHBondContact O-CD 3.46Å; N247-K330 WeakPolarHBondContact O-CE 3.27Å; N247-K330 PolarHBondContact O-NZ 2.81Å
248	N	98.3	Very high	89.3	Confident	8 Å²	8	26.9 Å²	26.9	4%	0.043	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	16.1	178.4	-55.7	95.1	0	0	0	113.8	H246 D298 A302 A329 K330 V331	H246-N248 PolarHBondContact CE1-OD1 3.46Å; H246-N248 VanDerWaalsContact CE1-OD1 3.3Å; H246-N248 PolarHBondContact ND1-N 3.29Å; H246-N248 VanDerWaalsContact ND1-N 3.11Å; H246-N248 PolarHBondContact O-N 2.87Å; N248-D298 WeakPolarHBondContact CB-O 3.49Å; N248-D298 VanDerWaalsContact ND2-CB 3.32Å; N248-D298 WeakPolarHBondContact ND2-CB 3.26Å; N248-D298 PolarHBondContact ND2-OD1 3.01Å; N248-A302 HydrophobicContact CB-CB 3.77Å; N248-A302 VanDerWaalsContact O-CB 3.22Å; N248-A302 WeakPolarHBondContact O-CB 3.49Å; N248-A329 PolarHBondContact ND2-O 3.3Å; N248-A329 VanDerWaalsContact ND2-O 3.14Å; N248-K330 CarbonylContact O-C 3.59Å; N248-K330 WeakPolarHBondContact O-CA 3.42Å; N248-V331 PolarHBondContact O-N 3.06Å
249	L	97.5	Very high	88	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-111.8	139.8	166.7	-64.6	179.1	0	0	0	108.5	L244 H246 Q251 A302 Y305 L306 V331 F334	L244-L249 HydrophobicContact CB-CD1 4.02Å; L244-L249 HydrophobicContact CD1-CD1 4.33Å; H246-L249 HydrophobicContact CB-CB 4.25Å; H246-L249 HydrophobicContact CB-CD1 3.86Å; H246-L249 HydrophobicContact CB-CG 3.89Å; H246-L249 PolarHBondContact O-N 2.84Å; H246-L249 VanDerWaalsContact O-N 3.07Å; L249-Q251 PolarHBondContact O-N 3.48Å; L249-A302 HydrophobicContact CD2-CB 3.75Å; L249-A302 HydrophobicContact CG-CB 4.31Å; L249-Y305 HydrophobicContact CD1-CD1 3.52Å; L249-Y305 HydrophobicContact CD1-CE1 3.74Å; L249-L306 HydrophobicContact CD1-CD2 3.92Å; L249-L306 HydrophobicContact CD1-CG 4.43Å; L249-L306 HydrophobicContact CD2-CD1 4.41Å; L249-L306 HydrophobicContact CD2-CD2 4.5Å; L249-L306 HydrophobicContact CD2-CG 4.39Å; L249-V331 HydrophobicContact CD2-CB 3.92Å; L249-F334 HydrophobicContact CB-CZ 4.23Å; L249-F334 HydrophobicContact CD2-CE1 3.97Å; L249-F334 HydrophobicContact CD2-CZ 3.83Å; L249-F334 HydrophobicContact CG-CZ 4.46Å
250	V	96.4	Very high	86.8	Confident	8 Å²	8	41.4 Å²	41.4	5%	0.048	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-64.4	117.8	174.5	172	0	0	0	0	109	M241 T267 E268 M270 L322 K330 V331	M241-V250 WeakPolarHBondContact CE-O 3.28Å; V250-T267 HydrophobicContact CG1-CG2 4.29Å; V250-E268 HydrophobicContact CG1-CG 4.07Å; V250-M270 HydrophobicContact CG2-CG 4.17Å; V250-M270 HydrophobicContact CG2-SD 4.45Å; V250-L322 HydrophobicContact CG2-CB 4.44Å; V250-L322 HydrophobicContact CG2-CD1 4.16Å; V250-K330 HydrophobicContact CG2-CB 3.77Å; V250-V331 PolarHBondContact N-O 2.91Å
251	Q	92.9	Very high	85.6	Confident	38 Å²	38	41.1 Å²	41.1	18%	0.178	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-78.2	129.1	-173.6	-174	58.6	63.9	0	0	111.7	L249 L253 T267 E268	L249-Q251 PolarHBondContact O-N 3.48Å; Q251-L253 PolarHBondContact O-N 2.95Å; Q251-T267 VanDerWaalsContact O-CA 3.27Å; Q251-T267 WeakPolarHBondContact O-CA 3.15Å; Q251-T267 WeakPolarHBondContact O-CB 3.19Å; Q251-E268 HydrophobicContact CB-CG 4.36Å; Q251-E268 WeakPolarHBondContact CB-OE1 3.23Å; Q251-E268 PolarHBondContact N-OE1 3.18Å; Q251-E268 PolarHBondContact O-N 3.31Å
252	L	92.9	Very high	84.8	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.4	164	-179.8	70.3	0	0	0	109.3	W189 M241 T242 G254 V255 I265 T267	W189-L252 HydrophobicContact CD2-CD2 4.27Å; W189-L252 HydrophobicContact CE3-CD2 3.49Å; W189-L252 VanDerWaalsContact CE3-CD2 3.49Å; W189-L252 HydrophobicContact CE3-CG 3.91Å; W189-L252 HydrophobicContact CZ3-CB 4.08Å; W189-L252 HydrophobicContact CZ3-CD2 3.68Å; W189-L252 HydrophobicContact CZ3-CG 3.86Å; M241-L252 HydrophobicContact CB-CB 3.82Å; M241-L252 HydrophobicContact CB-CD2 4.01Å; M241-L252 HydrophobicContact CB-CG 4.41Å; M241-L252 HydrophobicContact CE-CB 4.09Å; T242-L252 HydrophobicContact CG2-CD2 3.79Å; L252-G254 WeakPolarHBondContact CD1-O 3.33Å; L252-V255 HydrophobicContact CD1-CG2 4.43Å; L252-V255 HydrophobicContact CD2-CG2 4.47Å; L252-I265 HydrophobicContact CD1-CG2 3.87Å; L252-T267 HydrophobicContact CD1-CG2 4.45Å
253	L	91.9	Very high	84.3	Confident	55 Å²	55	41.4 Å²	41.4	29%	0.288	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-35.3	171.9	-58.4	179.3	0	0	0	110.6	R69 V220 Q251 V266	R69-L253 PolarHBondContact NH2-O 3.07Å; V220-L253 HydrophobicContact CB-CD1 4.3Å; V220-L253 HydrophobicContact CG1-CD1 3.42Å; V220-L253 VanDerWaalsContact CG1-CD1 3.42Å; Q251-L253 PolarHBondContact O-N 2.95Å; L253-V266 WeakPolarHBondContact CA-O 3.47Å; L253-V266 HydrophobicContact CB-CG1 4.35Å; L253-V266 WeakPolarHBondContact CB-O 3.42Å; L253-V266 HydrophobicContact CD1-CG1 4.41Å; L253-V266 PolarHBondContact N-O 3.31Å
254	G	91.4	Very high	84.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-172.7	171.1	0	0	0	0	0	112.9	W189 L252 V266	W189-G254 CarbonylContact O-C 3.49Å; W189-G254 WeakPolarHBondContact O-CA 3.4Å; L252-G254 WeakPolarHBondContact CD1-O 3.33Å; G254-V266 PolarHBondContact N-O 3.4Å; G254-V266 VanDerWaalsContact N-O 3.14Å; G254-V266 WeakPolarHBondContact O-CB 3.23Å; G254-V266 PolarHBondContact O-N 3.14Å
255	V	90.5	Very high	84.4	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.8	-175.7	-176.8	0	0	0	0	108.7	F184 W189 A190 L191 A238 L252 V257 L263 Y264	F184-V255 HydrophobicContact CD1-CG2 4.09Å; F184-V255 HydrophobicContact CD2-CB 4.42Å; F184-V255 HydrophobicContact CD2-CG1 4.15Å; F184-V255 HydrophobicContact CD2-CG2 4.49Å; F184-V255 HydrophobicContact CE1-CG2 4.16Å; F184-V255 HydrophobicContact CE2-CG1 4.44Å; F184-V255 HydrophobicContact CG-CB 4.29Å; F184-V255 HydrophobicContact CG-CG2 4.29Å; F184-V255 HydrophobicContact CZ-CG2 4.41Å; W189-V255 PolarHBondContact O-N 3.3Å; A190-V255 CarbonylContact C-O 3.21Å; A190-V255 VanDerWaalsContact CA-O 3.31Å; A190-V255 WeakPolarHBondContact CA-O 3.12Å; L191-V255 PolarHBondContact N-O 3.17Å; A238-V255 HydrophobicContact CB-CG2 4.1Å; L252-V255 HydrophobicContact CD1-CG2 4.43Å; L252-V255 HydrophobicContact CD2-CG2 4.47Å; V255-V257 HydrophobicContact CG1-CG2 4.37Å; V255-L263 HydrophobicContact CG1-CD1 3.38Å; V255-L263 HydrophobicContact CG1-CD2 4.38Å; V255-L263 HydrophobicContact CG1-CG 4Å; V255-Y264 CarbonylContact C-O 3.45Å; V255-Y264 VanDerWaalsContact CA-O 3.26Å; V255-Y264 WeakPolarHBondContact CA-O 3.47Å
256	I	88.6	Confident	84.7	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.015	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.7	171.1	-59.4	164.7	0	0	0	107.3	L191 R193 L196 L263 Y264 V266	L191-I256 HydrophobicContact CB-CD1 4.23Å; L191-I256 HydrophobicContact CB-CG1 3.62Å; R193-I256 HydrophobicContact CB-CG2 3.68Å; R193-I256 HydrophobicContact CG-CG2 4.23Å; L196-I256 HydrophobicContact CB-CD1 4.01Å; L196-I256 HydrophobicContact CD2-CD1 3.48Å; L196-I256 VanDerWaalsContact CD2-CD1 3.48Å; L196-I256 HydrophobicContact CG-CD1 4.33Å; I256-L263 CarbonylContact O-C 3.51Å; I256-L263 WeakPolarHBondContact O-CA 3.39Å; I256-L263 WeakPolarHBondContact O-CD1 3.22Å; I256-Y264 HydrophobicContact CB-CD2 3.89Å; I256-Y264 HydrophobicContact CB-CG 4.44Å; I256-Y264 HydrophobicContact CG2-CD2 3.97Å; I256-Y264 PolarHBondContact N-O 3.03Å; I256-Y264 PolarHBondContact O-N 2.77Å; I256-V266 HydrophobicContact CD1-CG2 3.97Å; I256-V266 HydrophobicContact CG1-CG2 4.34Å
257	V	77.9	Confident	84.8	Confident	30 Å²	30	33.2 Å²	33.2	18%	0.182	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112	168.9	-163.1	0	0	0	0	107	L80 Q181 V255 L263	L80-V257 HydrophobicContact CD2-CG1 4.08Å; Q181-V257 HydrophobicContact CB-CB 4.06Å; Q181-V257 HydrophobicContact CB-CG1 4.04Å; Q181-V257 HydrophobicContact CB-CG2 3.85Å; Q181-V257 HydrophobicContact CG-CB 3.82Å; Q181-V257 HydrophobicContact CG-CG1 4.16Å; Q181-V257 HydrophobicContact CG-CG2 3.92Å; V255-V257 HydrophobicContact CG1-CG2 4.37Å; V257-L263 HydrophobicContact CB-CD1 3.93Å; V257-L263 HydrophobicContact CG1-CD1 4.06Å; V257-L263 HydrophobicContact CG2-CD1 3.35Å
258	E	72.4	Confident	84.8	Confident	37 Å²	37	28.9 Å²	28.9	17%	0.173	14%	0.138	C	C	.	.			trans	-78	150.3	172.2	-86.4	-176.1	-168.3	0	0	111.3	R193 R260 G261 S262 Y264	R193-E258 WeakPolarHBondContact CD-OE1 3.41Å; R193-E258 HydrophobicContact CG-CG 3.97Å; R193-E258 WeakPolarHBondContact CG-OE1 3.29Å; R193-E258 IonicContact CZ-OE1 2.68Å; R193-E258 IonicContact NE-OE1 2.7Å; R193-E258 PolarHBondContact NE-OE1 2.97Å; R193-E258 IonicContact NH2-OE1 3.69Å; E258-R260 PolarHBondContact O-N 2.95Å; E258-G261 PolarHBondContact O-N 2.97Å; E258-G261 VanDerWaalsContact O-N 3.1Å; E258-S262 PolarHBondContact N-O 3.34Å; E258-Y264 HydrophobicContact CG-CE2 4.01Å; E258-Y264 WeakPolarHBondContact OE1-CE2 3.26Å; E258-Y264 PolarHBondContact OE1-OH 3.11Å
259	E	57.6	Low	84.7	Confident	153 Å²	153	31.5 Å²	31.5	72%	0.715	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.5	169.5	-62.9	175.6	178.6	0	0	111.2	E155 G261	E155-E259 WeakPolarHBondContact CG-O 3.25Å; E155-E259 VanDerWaalsContact OE1-C 3.24Å; E155-E259 VanDerWaalsContact OE1-CB 3.3Å; E155-E259 WeakPolarHBondContact OE1-CB 3.31Å; E259-G261 PolarHBondContact O-N 3.37Å; E259-G261 VanDerWaalsContact O-N 3.09Å
260	R	59.9	Low	84.6	Confident	164 Å²	164	31.9 Å²	31.9	62%	0.619	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	14.2	175.9	-59	-178.3	-178.8	-166.1	-2.2	115.6	Q152 E155 E258 S262	Q152-R260 WeakPolarHBondContact CG-O 3.46Å; E155-R260 WeakPolarHBondContact OE2-CA 3.32Å; E155-R260 WeakPolarHBondContact OE2-CG 3.32Å; E258-R260 PolarHBondContact O-N 2.95Å; R260-S262 VanDerWaalsContact C-N 3.28Å; R260-S262 PolarHBondContact O-N 3.23Å
261	G	60.6	Low	84.6	Confident	7 Å²	7	33.4 Å²	33.4	7%	0.072	16%	0.163	C	C	.	.	S	Bend	trans	77.9	0.3	177.2	0	0	0	0	0	115.6	M151 E258 E259 L263	M151-G261 WeakPolarHBondContact CE-O 3.38Å; M151-G261 VanDerWaalsContact SD-O 3.4Å; E258-G261 PolarHBondContact O-N 2.97Å; E258-G261 VanDerWaalsContact O-N 3.1Å; E259-G261 PolarHBondContact O-N 3.37Å; E259-G261 VanDerWaalsContact O-N 3.09Å; G261-L263 PolarHBondContact O-N 2.86Å
262	S	71.1	Confident	84.7	Confident	22 Å²	22	34.2 Å²	34.2	15%	0.154	17%	0.165	C	C	.	.			trans	-79.3	125.3	177.5	-64.2	0	0	0	0	111	E258 R260	E258-S262 PolarHBondContact N-O 3.34Å; R260-S262 VanDerWaalsContact C-N 3.28Å; R260-S262 PolarHBondContact O-N 3.23Å
263	L	77.5	Confident	84.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	172	-167	70	0	0	0	110.1	L80 I225 F234 I235 V255 I256 V257 G261	L80-L263 HydrophobicContact CD1-CB 4.05Å; L80-L263 HydrophobicContact CD1-CD2 3.71Å; L80-L263 HydrophobicContact CD1-CG 4.38Å; L80-L263 HydrophobicContact CD2-CB 4.37Å; L80-L263 HydrophobicContact CD2-CD1 4.07Å; L80-L263 HydrophobicContact CD2-CD2 4.14Å; L80-L263 HydrophobicContact CD2-CG 4.43Å; L80-L263 HydrophobicContact CG-CD2 4.28Å; I225-L263 HydrophobicContact CD1-CB 3.69Å; I225-L263 HydrophobicContact CD1-CD2 3.97Å; I225-L263 HydrophobicContact CD1-CG 4.32Å; I225-L263 HydrophobicContact CG1-CB 4.02Å; I225-L263 PolarHBondContact N-O 3.37Å; F234-L263 HydrophobicContact CD1-CD2 3.39Å; F234-L263 HydrophobicContact CD1-CG 4.07Å; F234-L263 HydrophobicContact CE1-CB 4.1Å; F234-L263 HydrophobicContact CE1-CD2 3.42Å; F234-L263 VanDerWaalsContact CE1-CD2 3.42Å; F234-L263 HydrophobicContact CE1-CG 3.58Å; I235-L263 HydrophobicContact CG1-CD2 4.11Å; V255-L263 HydrophobicContact CG1-CD1 3.38Å; V255-L263 HydrophobicContact CG1-CD2 4.38Å; V255-L263 HydrophobicContact CG1-CG 4Å; I256-L263 CarbonylContact O-C 3.51Å; I256-L263 WeakPolarHBondContact O-CA 3.39Å; I256-L263 WeakPolarHBondContact O-CD1 3.22Å; V257-L263 HydrophobicContact CB-CD1 3.93Å; V257-L263 HydrophobicContact CG1-CD1 4.06Å; V257-L263 HydrophobicContact CG2-CD1 3.35Å; G261-L263 PolarHBondContact O-N 2.86Å
264	Y	88.6	Confident	85.1	Confident	15 Å²	15	33.8 Å²	33.8	6%	0.059	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.1	175.1	-53.8	-87.3	0	0	0	110.7	L198 M211 V222 K223 C224 V255 I256 E258	L198-Y264 HydrophobicContact CD1-CE1 4.09Å; M211-Y264 HydrophobicContact CE-CE1 4.42Å; V222-Y264 HydrophobicContact CG1-CD1 3.5Å; V222-Y264 VanDerWaalsContact CG1-CD1 3.5Å; V222-Y264 HydrophobicContact CG1-CE1 4.43Å; V222-Y264 HydrophobicContact CG1-CG 4.04Å; K223-Y264 WeakPolarHBondContact O-CA 3.44Å; C224-Y264 HydrophobicContact CB-CD1 3.91Å; C224-Y264 HydrophobicContact CB-CE1 3.9Å; C224-Y264 VanDerWaalsContact SG-CE1 3.54Å; V255-Y264 CarbonylContact C-O 3.45Å; V255-Y264 VanDerWaalsContact CA-O 3.26Å; V255-Y264 WeakPolarHBondContact CA-O 3.47Å; I256-Y264 HydrophobicContact CB-CD2 3.89Å; I256-Y264 HydrophobicContact CB-CG 4.44Å; I256-Y264 HydrophobicContact CG2-CD2 3.97Å; I256-Y264 PolarHBondContact N-O 3.03Å; I256-Y264 PolarHBondContact O-N 2.77Å; E258-Y264 HydrophobicContact CG-CE2 4.01Å; E258-Y264 WeakPolarHBondContact OE1-CE2 3.26Å; E258-Y264 PolarHBondContact OE1-OH 3.11Å
265	I	90.4	Very high	85.4	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.8	163.1	-82.9	162.2	0	0	0	106	V222 K223 F234 E237 A238 M241 L252 T267	V222-I265 WeakPolarHBondContact CA-O 3.41Å; K223-I265 HydrophobicContact CB-CB 4.35Å; K223-I265 PolarHBondContact N-O 3Å; K223-I265 PolarHBondContact O-N 3.08Å; F234-I265 HydrophobicContact CD1-CD1 3.4Å; F234-I265 VanDerWaalsContact CD1-CD1 3.4Å; F234-I265 HydrophobicContact CD1-CG1 3.9Å; F234-I265 HydrophobicContact CD2-CD1 3.92Å; F234-I265 HydrophobicContact CE1-CB 3.95Å; F234-I265 HydrophobicContact CE1-CD1 3.26Å; F234-I265 HydrophobicContact CE1-CG1 3.24Å; F234-I265 HydrophobicContact CE2-CB 4.29Å; F234-I265 HydrophobicContact CE2-CD1 3.76Å; F234-I265 HydrophobicContact CE2-CG1 4.22Å; F234-I265 HydrophobicContact CG-CD1 3.8Å; F234-I265 HydrophobicContact CZ-CB 3.61Å; F234-I265 HydrophobicContact CZ-CD1 3.47Å; F234-I265 VanDerWaalsContact CZ-CD1 3.47Å; F234-I265 HydrophobicContact CZ-CG1 3.45Å; F234-I265 VanDerWaalsContact CZ-CG1 3.45Å; F234-I265 VanDerWaalsContact CZ-N 3.32Å; E237-I265 HydrophobicContact CB-CD1 4.43Å; E237-I265 HydrophobicContact CG-CD1 4.41Å; A238-I265 HydrophobicContact CB-CD1 3.84Å; A238-I265 HydrophobicContact CB-CG1 3.9Å; M241-I265 HydrophobicContact SD-CG2 4.41Å; L252-I265 HydrophobicContact CD1-CG2 3.87Å; I265-T267 HydrophobicContact CG2-CG2 3.68Å
266	V	94.3	Very high	85.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	116.8	179	-172.3	0	0	0	0	108.2	L191 V220 A221 L253 G254 I256	L191-V266 HydrophobicContact CD1-CB 3.75Å; L191-V266 HydrophobicContact CD1-CG1 4.09Å; L191-V266 HydrophobicContact CD1-CG2 3.89Å; V220-V266 HydrophobicContact CB-CG1 3.73Å; V220-V266 HydrophobicContact CG1-CG1 3.99Å; V220-V266 HydrophobicContact CG2-CG1 3.8Å; A221-V266 WeakPolarHBondContact O-CA 3Å; L253-V266 WeakPolarHBondContact CA-O 3.47Å; L253-V266 HydrophobicContact CB-CG1 4.35Å; L253-V266 WeakPolarHBondContact CB-O 3.42Å; L253-V266 HydrophobicContact CD1-CG1 4.41Å; L253-V266 PolarHBondContact N-O 3.31Å; G254-V266 PolarHBondContact N-O 3.4Å; G254-V266 VanDerWaalsContact N-O 3.14Å; G254-V266 WeakPolarHBondContact O-CB 3.23Å; G254-V266 PolarHBondContact O-N 3.14Å; I256-V266 HydrophobicContact CD1-CG2 3.97Å; I256-V266 HydrophobicContact CG1-CG2 4.34Å
267	T	95.1	Very high	86.2	Confident	18 Å²	18	38.4 Å²	38.4	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	168.8	179.4	65.1	0	0	0	0	110.8	A221 M241 V250 Q251 L252 I265	A221-T267 PolarHBondContact N-O 3Å; A221-T267 PolarHBondContact O-N 3.02Å; M241-T267 HydrophobicContact CE-CG2 3.57Å; M241-T267 HydrophobicContact SD-CG2 4.47Å; V250-T267 HydrophobicContact CG1-CG2 4.29Å; Q251-T267 VanDerWaalsContact O-CA 3.27Å; Q251-T267 WeakPolarHBondContact O-CA 3.15Å; Q251-T267 WeakPolarHBondContact O-CB 3.19Å; L252-T267 HydrophobicContact CD1-CG2 4.45Å; I265-T267 HydrophobicContact CG2-CG2 3.68Å
268	E	94.4	Very high	87.1	Confident	41 Å²	41	37.9 Å²	37.9	19%	0.192	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	147	167.2	66.4	179.2	129.3	0	0	111.3	V250 Q251 M270 K330	V250-E268 HydrophobicContact CG1-CG 4.07Å; Q251-E268 HydrophobicContact CB-CG 4.36Å; Q251-E268 WeakPolarHBondContact CB-OE1 3.23Å; Q251-E268 PolarHBondContact N-OE1 3.18Å; Q251-E268 PolarHBondContact O-N 3.31Å; E268-M270 HydrophobicContact CG-SD 4.21Å; E268-K330 WeakPolarHBondContact OE1-CD 3.37Å; E268-K330 IonicContact OE1-NZ 3.48Å; E268-K330 PolarHBondContact OE1-NZ 3.43Å; E268-K330 IonicContact OE2-NZ 2.8Å; E268-K330 PolarHBondContact OE2-NZ 3.24Å
269	Y	96.3	Very high	88.3	Confident	63 Å²	63	36.1 Å²	36.1	25%	0.247	18%	0.184	C	C	.	.			trans	-87.4	127.8	179.5	176.4	-110.4	0	0	0	111.6	I202 V212 K219 A221 A271	I202-Y269 HydrophobicContact CD1-CD2 4.45Å; I202-Y269 HydrophobicContact CD1-CE2 4.01Å; V212-Y269 HydrophobicContact CG2-CD2 4.07Å; V212-Y269 HydrophobicContact CG2-CE2 3.52Å; K219-Y269 HydrophobicContact CB-CD1 4.45Å; K219-Y269 HydrophobicContact CD-CD1 3.29Å; K219-Y269 HydrophobicContact CD-CE1 3.38Å; K219-Y269 HydrophobicContact CD-CG 3.88Å; K219-Y269 HydrophobicContact CG-CD1 3.74Å; K219-Y269 HydrophobicContact CG-CE1 4.27Å; K219-Y269 HydrophobicContact CG-CG 3.84Å; K219-Y269 WeakPolarHBondContact O-CB 3.23Å; A221-Y269 HydrophobicContact CB-CD2 4.48Å; Y269-A271 HydrophobicContact CD1-CB 4.21Å; Y269-A271 VanDerWaalsContact CE1-CA 3.41Å; Y269-A271 HydrophobicContact CE1-CB 3.67Å
270	M	96.7	Very high	90.2	Very high	11 Å²	11	35 Å²	35	5%	0.054	17%	0.173	C	C	.	.			trans	-104.9	94.9	-179.8	-59	-62	-72.6	0	0	110.1	V250 E268 K272 G273 L322 V323 S324 K330	V250-M270 HydrophobicContact CG2-CG 4.17Å; V250-M270 HydrophobicContact CG2-SD 4.45Å; E268-M270 HydrophobicContact CG-SD 4.21Å; M270-K272 PolarHBondContact O-N 3.02Å; M270-K272 VanDerWaalsContact O-N 3.14Å; M270-G273 PolarHBondContact O-N 2.87Å; M270-L322 HydrophobicContact CB-CB 3.59Å; M270-L322 HydrophobicContact CB-CD1 3.94Å; M270-L322 HydrophobicContact CB-CG 4.36Å; M270-L322 HydrophobicContact CE-CB 3.91Å; M270-L322 WeakPolarHBondContact CE-O 3.45Å; M270-L322 HydrophobicContact CG-CB 3.6Å; M270-L322 HydrophobicContact CG-CD1 3.75Å; M270-L322 HydrophobicContact CG-CG 4.33Å; M270-V323 CarbonylContact C-O 3.54Å; M270-S324 VanDerWaalsContact CE-N 3.28Å; M270-K330 HydrophobicContact CE-CB 3.8Å; M270-K330 HydrophobicContact CE-CD 3.83Å; M270-K330 HydrophobicContact CE-CG 3.61Å; M270-K330 HydrophobicContact SD-CD 4.04Å; M270-K330 HydrophobicContact SD-CG 4.47Å
271	A	95.1	Very high	92	Very high	40 Å²	40	31.4 Å²	31.4	33%	0.331	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-24.8	-165.1	0	0	0	0	0	115.7	Y269 D325	Y269-A271 HydrophobicContact CD1-CB 4.21Å; Y269-A271 VanDerWaalsContact CE1-CA 3.41Å; Y269-A271 HydrophobicContact CE1-CB 3.67Å; A271-D325 HydrophobicContact CB-CB 4Å
272	K	95.9	Very high	93.6	Very high	54 Å²	54	36.8 Å²	36.8	24%	0.235	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.7	-176	-68.3	175.7	179.3	167.8	0	113.3	M270 Y278 V323 S324 D325 N327	M270-K272 PolarHBondContact O-N 3.02Å; M270-K272 VanDerWaalsContact O-N 3.14Å; K272-Y278 HydrophobicContact CB-CD2 3.9Å; K272-Y278 HydrophobicContact CB-CE2 4.18Å; K272-Y278 HydrophobicContact CD-CD2 4.27Å; K272-Y278 HydrophobicContact CD-CE2 3.67Å; K272-Y278 HydrophobicContact CG-CD2 4.44Å; K272-Y278 HydrophobicContact CG-CE2 4.24Å; K272-V323 HydrophobicContact CB-CB 3.83Å; K272-V323 HydrophobicContact CB-CG1 3.94Å; K272-V323 WeakPolarHBondContact CB-O 3.39Å; K272-V323 HydrophobicContact CD-CG1 4.1Å; K272-V323 PolarHBondContact N-O 2.68Å; K272-S324 WeakPolarHBondContact CD-O 3.48Å; K272-D325 WeakPolarHBondContact CE-O 3.33Å; K272-D325 PolarHBondContact NZ-O 3.3Å; K272-N327 WeakPolarHBondContact CD-OD1 3.4Å; K272-N327 VanDerWaalsContact NZ-CG 3.29Å; K272-N327 PolarHBondContact NZ-ND2 3.46Å; K272-N327 PolarHBondContact NZ-OD1 3Å
273	G	95.2	Very high	94.6	Very high	32 Å²	32	36.5 Å²	36.5	33%	0.33	19%	0.192	S	C	.	.			trans	67.7	-151.6	174.4	0	0	0	0	0	113	M270 L322 V323	M270-G273 PolarHBondContact O-N 2.87Å; G273-L322 CarbonylContact O-C 3.53Å; G273-L322 VanDerWaalsContact O-CA 3.29Å; G273-L322 WeakPolarHBondContact O-CA 3.47Å; G273-V323 PolarHBondContact O-N 3.33Å
274	S	96.9	Very high	95.3	Very high	15 Å²	15	43.6 Å²	43.6	11%	0.105	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-70.6	147	-178.4	81.8	0	0	0	0	112	V276 D277 Y278 V321	S274-V276 VanDerWaalsContact C-N 3.27Å; S274-V276 PolarHBondContact O-N 3.06Å; S274-V276 VanDerWaalsContact OG-CG1 3.29Å; S274-V276 WeakPolarHBondContact OG-CG1 3.4Å; S274-D277 PolarHBondContact O-N 3.06Å; S274-D277 WeakPolarHBondContact OG-CB 3.29Å; S274-D277 PolarHBondContact OG-N 3.43Å; S274-D277 PolarHBondContact OG-OD2 3.45Å; S274-Y278 WeakPolarHBondContact O-CB 3.39Å; S274-Y278 PolarHBondContact O-N 2.71Å; S274-V321 CarbonylContact C-O 3.42Å; S274-V321 WeakPolarHBondContact CA-O 3.26Å
275	L	98.4	Very high	95.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-37	178.1	178.1	62.1	0	0	0	110.7	D277 Y278 L279 F295 A318 V321 V323 I380	L275-D277 PolarHBondContact O-N 2.84Å; L275-Y278 PolarHBondContact O-N 2.96Å; L275-L279 HydrophobicContact CD1-CD1 4.25Å; L275-L279 HydrophobicContact CD1-CD2 4.46Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 3.91Å; L275-L279 HydrophobicContact CG-CG 4.2Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CD1 3.37Å; L275-L279 WeakPolarHBondContact O-CG 3.15Å; L275-L279 PolarHBondContact O-N 2.94Å; L275-F295 HydrophobicContact CD1-CD1 4.28Å; L275-F295 HydrophobicContact CD1-CD2 3.82Å; L275-F295 HydrophobicContact CD1-CE1 4.44Å; L275-F295 HydrophobicContact CD1-CE2 4Å; L275-F295 HydrophobicContact CD1-CG 3.97Å; L275-F295 HydrophobicContact CD1-CZ 4.3Å; L275-A318 WeakPolarHBondContact CB-O 3.39Å; L275-A318 PolarHBondContact N-O 3.34Å; L275-V321 HydrophobicContact CB-CB 3.89Å; L275-V321 HydrophobicContact CB-CG1 3.99Å; L275-V321 HydrophobicContact CD2-CB 4.1Å; L275-V321 HydrophobicContact CD2-CG1 3.87Å; L275-V321 PolarHBondContact N-O 2.89Å; L275-V323 HydrophobicContact CB-CG2 4.11Å; L275-V323 HydrophobicContact CD1-CG2 3.84Å; L275-I380 HydrophobicContact CD2-CD1 4.15Å; L275-I380 HydrophobicContact CD2-CG1 4.07Å
276	V	98.1	Very high	95.4	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-43	177.4	67.2	0	0	0	0	112.4	S274 R280 A318 R319	S274-V276 VanDerWaalsContact C-N 3.27Å; S274-V276 PolarHBondContact O-N 3.06Å; S274-V276 VanDerWaalsContact OG-CG1 3.29Å; S274-V276 WeakPolarHBondContact OG-CG1 3.4Å; V276-R280 WeakPolarHBondContact O-CB 3.32Å; V276-R280 VanDerWaalsContact O-CG 3.27Å; V276-R280 WeakPolarHBondContact O-CG 3.4Å; V276-R280 PolarHBondContact O-N 3.5Å; V276-R280 VanDerWaalsContact O-N 3.08Å; V276-A318 HydrophobicContact CB-CB 3.95Å; V276-A318 PolarHBondContact N-O 3.46Å; V276-R319 HydrophobicContact CG1-CB 4.02Å
277	D	96.9	Very high	95.5	Very high	91 Å²	91	53.9 Å²	53.9	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-72.2	-35.3	178.1	-62.1	-37	0	0	0	111	S274 L275 R280 S281	S274-D277 PolarHBondContact O-N 3.06Å; S274-D277 WeakPolarHBondContact OG-CB 3.29Å; S274-D277 PolarHBondContact OG-N 3.43Å; S274-D277 PolarHBondContact OG-OD2 3.45Å; L275-D277 PolarHBondContact O-N 2.84Å; D277-R280 PolarHBondContact O-N 2.9Å; D277-S281 VanDerWaalsContact O-CB 3.26Å; D277-S281 WeakPolarHBondContact O-CB 3.49Å; D277-S281 PolarHBondContact O-N 3.19Å; D277-S281 PolarHBondContact O-OG 3.38Å
278	Y	97.9	Very high	95.5	Very high	19 Å²	19	55 Å²	55	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-61.5	-47.8	173.2	-171.5	-99.5	0	0	0	112.1	K272 S274 L275 R280 S281 R282 L287 F295 V323 N327	K272-Y278 HydrophobicContact CB-CD2 3.9Å; K272-Y278 HydrophobicContact CB-CE2 4.18Å; K272-Y278 HydrophobicContact CD-CD2 4.27Å; K272-Y278 HydrophobicContact CD-CE2 3.67Å; K272-Y278 HydrophobicContact CG-CD2 4.44Å; K272-Y278 HydrophobicContact CG-CE2 4.24Å; S274-Y278 WeakPolarHBondContact O-CB 3.39Å; S274-Y278 PolarHBondContact O-N 2.71Å; L275-Y278 PolarHBondContact O-N 2.96Å; Y278-R280 PolarHBondContact O-N 2.66Å; Y278-S281 PolarHBondContact O-N 2.84Å; Y278-S281 PolarHBondContact O-OG 3.35Å; Y278-S281 VanDerWaalsContact O-OG 3.06Å; Y278-R282 HydrophobicContact CD1-CG 4.47Å; Y278-R282 HydrophobicContact CD2-CG 4.28Å; Y278-R282 HydrophobicContact CE1-CG 4.11Å; Y278-R282 HydrophobicContact CE2-CG 3.87Å; Y278-R282 WeakPolarHBondContact O-CB 3.47Å; Y278-R282 WeakPolarHBondContact O-CG 3.42Å; Y278-R282 PolarHBondContact O-N 3.19Å; Y278-L287 HydrophobicContact CE1-CD1 4.43Å; Y278-L287 HydrophobicContact CE1-CD2 3.93Å; Y278-F295 HydrophobicContact CD1-CE2 4.12Å; Y278-F295 AromaticContact CD1-CZ 3.99Å; Y278-F295 HydrophobicContact CD1-CZ 3.99Å; Y278-F295 AromaticContact CE1-CE2 3.97Å; Y278-F295 HydrophobicContact CE1-CE2 3.97Å; Y278-F295 AromaticContact CE1-CZ 3.69Å; Y278-F295 HydrophobicContact CE1-CZ 3.69Å; Y278-V323 HydrophobicContact CD1-CG2 4.49Å; Y278-V323 HydrophobicContact CG-CG2 4.32Å; Y278-N327 PolarHBondContact OH-OD1 3.1Å
279	L	98.3	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-44.9	177	-72.5	166.8	0	0	0	111.6	L275 G283 L287 L292 I380	L275-L279 HydrophobicContact CD1-CD1 4.25Å; L275-L279 HydrophobicContact CD1-CD2 4.46Å; L275-L279 HydrophobicContact CD1-CG 4.03Å; L275-L279 HydrophobicContact CG-CD1 3.91Å; L275-L279 HydrophobicContact CG-CG 4.2Å; L275-L279 WeakPolarHBondContact O-CB 3.5Å; L275-L279 WeakPolarHBondContact O-CD1 3.37Å; L275-L279 WeakPolarHBondContact O-CG 3.15Å; L275-L279 PolarHBondContact O-N 2.94Å; L279-G283 WeakPolarHBondContact O-CA 3.45Å; L279-G283 PolarHBondContact O-N 2.74Å; L279-L287 HydrophobicContact CD2-CD1 3.82Å; L279-L292 HydrophobicContact CD2-CD2 3.86Å; L279-I380 HydrophobicContact CD1-CG1 4.32Å
280	R	97.8	Very high	95.5	Very high	129 Å²	129	54.3 Å²	54.3	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-67.2	-41.6	179.7	-73.4	171.2	178.6	164.9	2.9	112.9	V276 D277 Y278 G384	V276-R280 WeakPolarHBondContact O-CB 3.32Å; V276-R280 VanDerWaalsContact O-CG 3.27Å; V276-R280 WeakPolarHBondContact O-CG 3.4Å; V276-R280 PolarHBondContact O-N 3.5Å; V276-R280 VanDerWaalsContact O-N 3.08Å; D277-R280 PolarHBondContact O-N 2.9Å; Y278-R280 PolarHBondContact O-N 2.66Å; R280-G384 VanDerWaalsContact CZ-O 3.3Å; R280-G384 PolarHBondContact NE-O 3.29Å; R280-G384 PolarHBondContact NH2-O 3.46Å
281	S	96.4	Very high	95.5	Very high	89 Å²	89	55.6 Å²	55.6	62%	0.622	32%	0.317	S	S	*	.	H	α-helix	trans	-73.9	-35	-176.6	59.5	0	0	0	0	113.1	D277 Y278	D277-S281 VanDerWaalsContact O-CB 3.26Å; D277-S281 WeakPolarHBondContact O-CB 3.49Å; D277-S281 PolarHBondContact O-N 3.19Å; D277-S281 PolarHBondContact O-OG 3.38Å; Y278-S281 PolarHBondContact O-N 2.84Å; Y278-S281 PolarHBondContact O-OG 3.35Å; Y278-S281 VanDerWaalsContact O-OG 3.06Å
282	R	95.4	Very high	95.6	Very high	120 Å²	120	54 Å²	54	45%	0.453	30%	0.303	S	S	.	.	H	α-helix	trans	-86.6	-39.7	178	-60.9	-59.5	-177.5	178.7	-2.3	112.5	Y278 V286 L287	Y278-R282 HydrophobicContact CD1-CG 4.47Å; Y278-R282 HydrophobicContact CD2-CG 4.28Å; Y278-R282 HydrophobicContact CE1-CG 4.11Å; Y278-R282 HydrophobicContact CE2-CG 3.87Å; Y278-R282 WeakPolarHBondContact O-CB 3.47Å; Y278-R282 WeakPolarHBondContact O-CG 3.42Å; Y278-R282 PolarHBondContact O-N 3.19Å; R282-V286 HydrophobicContact CB-CB 4.19Å; R282-V286 HydrophobicContact CB-CG1 4.34Å; R282-V286 WeakPolarHBondContact O-CB 3.45Å; R282-V286 WeakPolarHBondContact O-CG2 3.49Å; R282-L287 HydrophobicContact CB-CD1 3.86Å; R282-L287 HydrophobicContact CB-CD2 3.98Å; R282-L287 HydrophobicContact CB-CG 3.7Å; R282-L287 HydrophobicContact CG-CD2 4.41Å
283	G	91.7	Very high	95.8	Very high	17 Å²	17	51.5 Å²	51.5	18%	0.175	29%	0.292	C	S	.	.	H	α-helix	trans	63.2	-177.9	178.1	0	0	0	0	0	114.5	L279 T285 V286 L287	L279-G283 WeakPolarHBondContact O-CA 3.45Å; L279-G283 PolarHBondContact O-N 2.74Å; G283-T285 PolarHBondContact O-N 3.26Å; G283-V286 PolarHBondContact O-N 3.12Å; G283-L287 WeakPolarHBondContact O-CB 3.48Å; G283-L287 PolarHBondContact O-N 3.42Å
284	R	92.2	Very high	95.9	Very high	148 Å²	148	53 Å²	53	56%	0.558	29%	0.289	S	S	*	.	H	α-helix	trans	-68.4	-16.8	-175	74.9	-179.1	80.9	-169.8	1.8	115.3	F383	R284-F383 VanDerWaalsContact CA-CE1 3.4Å; R284-F383 HydrophobicContact CB-CD1 4.16Å; R284-F383 HydrophobicContact CB-CD2 3.97Å; R284-F383 HydrophobicContact CB-CE1 3.77Å; R284-F383 HydrophobicContact CB-CE2 3.56Å; R284-F383 HydrophobicContact CB-CG 4.26Å; R284-F383 HydrophobicContact CB-CZ 3.43Å; R284-F383 VanDerWaalsContact CB-CZ 3.43Å
285	T	88	Confident	96	Very high	133 Å²	133	52.3 Å²	52.3	82%	0.816	28%	0.284	S	S	*	.	H	α-helix	trans	-80	-23	-179.8	51.7	0	0	0	0	112.3	G283	G283-T285 PolarHBondContact O-N 3.26Å
286	V	93.6	Very high	96	Very high	93 Å²	93	52.3 Å²	52.3	56%	0.564	28%	0.284	S	S	*	.	H	α-helix	trans	-106.2	-37.1	179.7	-179.7	0	0	0	0	111.2	R282 G283	R282-V286 HydrophobicContact CB-CB 4.19Å; R282-V286 HydrophobicContact CB-CG1 4.34Å; R282-V286 WeakPolarHBondContact O-CB 3.45Å; R282-V286 WeakPolarHBondContact O-CG2 3.49Å; G283-V286 PolarHBondContact O-N 3.12Å
287	L	95.1	Very high	96	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.042	28%	0.284	C	S	.	.			trans	-95.1	105.5	-175.4	-57.8	-178.9	0	0	0	111	Y278 L279 R282 G283 L292 F383	Y278-L287 HydrophobicContact CE1-CD1 4.43Å; Y278-L287 HydrophobicContact CE1-CD2 3.93Å; L279-L287 HydrophobicContact CD2-CD1 3.82Å; R282-L287 HydrophobicContact CB-CD1 3.86Å; R282-L287 HydrophobicContact CB-CD2 3.98Å; R282-L287 HydrophobicContact CB-CG 3.7Å; R282-L287 HydrophobicContact CG-CD2 4.41Å; G283-L287 WeakPolarHBondContact O-CB 3.48Å; G283-L287 PolarHBondContact O-N 3.42Å; L287-L292 HydrophobicContact CB-CD2 4.25Å; L287-F383 HydrophobicContact CB-CD1 4.46Å; L287-F383 HydrophobicContact CB-CE1 3.98Å; L287-F383 HydrophobicContact CD1-CD1 4.48Å
288	G	95	Very high	96.1	Very high	43 Å²	43	48.1 Å²	48.1	44%	0.443	26%	0.261	S	S	.	.			trans	-84.1	172.9	173.7	0	0	0	0	0	114	D290 C291 L292	G288-D290 PolarHBondContact O-N 3.07Å; G288-C291 WeakPolarHBondContact O-CB 3.23Å; G288-C291 PolarHBondContact O-N 3.35Å; G288-C291 VanDerWaalsContact O-N 3.13Å; G288-L292 PolarHBondContact O-N 3.04Å
289	G	95.3	Very high	96.2	Very high	28 Å²	28	47.2 Å²	47.2	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-55.9	-43.3	-175.5	0	0	0	0	0	115	C291 L292 L293	G289-C291 VanDerWaalsContact C-N 3.29Å; G289-C291 PolarHBondContact O-N 3.22Å; G289-L292 PolarHBondContact O-N 3.13Å; G289-L293 WeakPolarHBondContact O-CB 3.38Å; G289-L293 PolarHBondContact O-N 2.69Å
290	D	95.3	Very high	96.2	Very high	61 Å²	61	47.2 Å²	47.2	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-37.4	178.7	-177.9	66.9	0	0	0	111.7	G288 L293 K294 R445 Y450	G288-D290 PolarHBondContact O-N 3.07Å; D290-L293 PolarHBondContact O-N 2.77Å; D290-K294 VanDerWaalsContact O-CB 3.32Å; D290-K294 WeakPolarHBondContact O-CB 3.49Å; D290-K294 PolarHBondContact O-N 2.86Å; D290-R445 IonicContact OD1-CZ 3.45Å; D290-R445 IonicContact OD1-NE 2.74Å; D290-R445 PolarHBondContact OD1-NE 3.46Å; D290-R445 IonicContact OD1-NH2 3.06Å; D290-R445 PolarHBondContact OD1-NH2 3.08Å; D290-R445 IonicContact OD2-NH2 3.51Å; D290-Y450 HydrophobicContact CB-CD2 4.48Å; D290-Y450 HydrophobicContact CB-CE2 3.62Å
291	C	96.8	Very high	96.3	Very high	38 Å²	38	43.7 Å²	43.7	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-43.6	177.8	-175.9	0	0	0	0	111.7	G288 G289 L293 K294 F295	G288-C291 WeakPolarHBondContact O-CB 3.23Å; G288-C291 PolarHBondContact O-N 3.35Å; G288-C291 VanDerWaalsContact O-N 3.13Å; G289-C291 VanDerWaalsContact C-N 3.29Å; G289-C291 PolarHBondContact O-N 3.22Å; C291-L293 VanDerWaalsContact C-N 3.34Å; C291-L293 PolarHBondContact O-N 3.26Å; C291-K294 PolarHBondContact O-N 3.49Å; C291-F295 WeakPolarHBondContact O-CD2 3.32Å; C291-F295 PolarHBondContact O-N 3.29Å; C291-F295 VanDerWaalsContact SG-CE2 3.57Å
292	L	98.4	Very high	96.4	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-41	175.5	-59.9	-177.5	0	0	0	111.7	L279 L287 G288 G289 K294 F295 S296 I380 Y381 F383	L279-L292 HydrophobicContact CD2-CD2 3.86Å; L287-L292 HydrophobicContact CB-CD2 4.25Å; G288-L292 PolarHBondContact O-N 3.04Å; G289-L292 PolarHBondContact O-N 3.13Å; L292-K294 VanDerWaalsContact C-N 3.35Å; L292-F295 PolarHBondContact O-N 2.88Å; L292-S296 PolarHBondContact O-N 2.82Å; L292-S296 PolarHBondContact O-OG 3.27Å; L292-I380 HydrophobicContact CB-CG2 3.82Å; L292-I380 HydrophobicContact CD2-CG2 3.89Å; L292-I380 HydrophobicContact CG-CG2 4.35Å; L292-Y381 HydrophobicContact CB-CE1 4.27Å; L292-Y381 HydrophobicContact CB-CE2 4.48Å; L292-Y381 HydrophobicContact CD1-CD1 4.17Å; L292-Y381 HydrophobicContact CD1-CE1 4.4Å; L292-F383 HydrophobicContact CD1-CE1 3.89Å; L292-F383 HydrophobicContact CD1-CZ 3.74Å; L292-F383 HydrophobicContact CD2-CD1 4.47Å; L292-F383 HydrophobicContact CD2-CE1 4.04Å; L292-F383 HydrophobicContact CG-CE1 4.44Å
293	L	98.4	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-36.7	176.7	-172.2	61.8	0	0	0	111.7	G289 D290 C291 S296 L297 L441 I444 R445 Y450	G289-L293 WeakPolarHBondContact O-CB 3.38Å; G289-L293 PolarHBondContact O-N 2.69Å; D290-L293 PolarHBondContact O-N 2.77Å; C291-L293 VanDerWaalsContact C-N 3.34Å; C291-L293 PolarHBondContact O-N 3.26Å; L293-S296 WeakPolarHBondContact O-CB 3.35Å; L293-S296 PolarHBondContact O-N 3.35Å; L293-L297 PolarHBondContact O-N 3.43Å; L293-L441 HydrophobicContact CD1-CB 4.4Å; L293-L441 HydrophobicContact CD1-CD2 3.64Å; L293-I444 HydrophobicContact CD1-CG2 4.24Å; L293-I444 HydrophobicContact CD2-CG2 3.93Å; L293-R445 HydrophobicContact CD2-CB 3.55Å; L293-R445 HydrophobicContact CD2-CG 3.91Å; L293-R445 HydrophobicContact CG-CB 4.48Å; L293-Y450 HydrophobicContact CD2-CD1 3.45Å; L293-Y450 VanDerWaalsContact CD2-CD1 3.45Å; L293-Y450 HydrophobicContact CD2-CE1 4.1Å; L293-Y450 HydrophobicContact CD2-CG 3.81Å
294	K	98.4	Very high	96.9	Very high	64 Å²	64	34.8 Å²	34.8	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-63.1	-45.6	174	-179.2	59.4	170.4	72.8	0	112	D290 C291 L292 S296 L297 D298	D290-K294 VanDerWaalsContact O-CB 3.32Å; D290-K294 WeakPolarHBondContact O-CB 3.49Å; D290-K294 PolarHBondContact O-N 2.86Å; C291-K294 PolarHBondContact O-N 3.49Å; L292-K294 VanDerWaalsContact C-N 3.35Å; K294-S296 VanDerWaalsContact C-N 3.28Å; K294-S296 PolarHBondContact O-N 2.9Å; K294-L297 PolarHBondContact O-N 3.39Å; K294-D298 IonicContact NZ-OD1 3.13Å; K294-D298 PolarHBondContact NZ-OD1 3.49Å; K294-D298 IonicContact NZ-OD2 3.22Å; K294-D298 PolarHBondContact NZ-OD2 3.15Å; K294-D298 WeakPolarHBondContact O-CB 3.4Å; K294-D298 PolarHBondContact O-N 2.91Å
295	F	98.8	Very high	97.1	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-38	173.7	-68.1	-39.5	0	0	0	112.3	L275 Y278 C291 L292 D298 V299 V323 N327 A329 I380	L275-F295 HydrophobicContact CD1-CD1 4.28Å; L275-F295 HydrophobicContact CD1-CD2 3.82Å; L275-F295 HydrophobicContact CD1-CE1 4.44Å; L275-F295 HydrophobicContact CD1-CE2 4Å; L275-F295 HydrophobicContact CD1-CG 3.97Å; L275-F295 HydrophobicContact CD1-CZ 4.3Å; Y278-F295 HydrophobicContact CD1-CE2 4.12Å; Y278-F295 AromaticContact CD1-CZ 3.99Å; Y278-F295 HydrophobicContact CD1-CZ 3.99Å; Y278-F295 AromaticContact CE1-CE2 3.97Å; Y278-F295 HydrophobicContact CE1-CE2 3.97Å; Y278-F295 AromaticContact CE1-CZ 3.69Å; Y278-F295 HydrophobicContact CE1-CZ 3.69Å; C291-F295 WeakPolarHBondContact O-CD2 3.32Å; C291-F295 PolarHBondContact O-N 3.29Å; C291-F295 VanDerWaalsContact SG-CE2 3.57Å; L292-F295 PolarHBondContact O-N 2.88Å; F295-D298 PolarHBondContact O-N 3.5Å; F295-V299 WeakPolarHBondContact O-CG2 3.32Å; F295-V299 PolarHBondContact O-N 3Å; F295-V299 VanDerWaalsContact O-N 3.15Å; F295-V323 HydrophobicContact CE1-CG1 4.25Å; F295-V323 HydrophobicContact CZ-CG1 4.45Å; F295-N327 WeakPolarHBondContact CE1-O 3.38Å; F295-A329 HydrophobicContact CD1-CB 3.67Å; F295-A329 HydrophobicContact CE1-CB 4.37Å; F295-A329 HydrophobicContact CG-CB 4.48Å; F295-I380 HydrophobicContact CB-CD1 4.2Å
296	S	98.8	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-47.8	175.1	-54.7	0	0	0	0	111.1	L292 L293 K294 V299 C300 Y373 L377	L292-S296 PolarHBondContact O-N 2.82Å; L292-S296 PolarHBondContact O-OG 3.27Å; L293-S296 WeakPolarHBondContact O-CB 3.35Å; L293-S296 PolarHBondContact O-N 3.35Å; K294-S296 VanDerWaalsContact C-N 3.28Å; K294-S296 PolarHBondContact O-N 2.9Å; S296-V299 PolarHBondContact O-N 2.91Å; S296-C300 WeakPolarHBondContact O-CB 3.45Å; S296-C300 PolarHBondContact O-N 3.36Å; S296-Y373 PolarHBondContact O-OH 3.14Å; S296-L377 WeakPolarHBondContact OG-CD2 3.34Å
297	L	98.8	Very high	97.7	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.042	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-46.8	177	-81.4	165.2	0	0	0	112.6	L293 K294 V299 C300 E301 R438 L441 Q442	L293-L297 PolarHBondContact O-N 3.43Å; K294-L297 PolarHBondContact O-N 3.39Å; L297-V299 VanDerWaalsContact C-N 3.33Å; L297-V299 PolarHBondContact O-N 3.49Å; L297-C300 WeakPolarHBondContact O-CB 3.39Å; L297-C300 PolarHBondContact O-N 3.26Å; L297-C300 VanDerWaalsContact O-N 3.1Å; L297-E301 WeakPolarHBondContact O-CG 3.44Å; L297-E301 PolarHBondContact O-N 3.41Å; L297-R438 HydrophobicContact CD2-CG 4.29Å; L297-L441 HydrophobicContact CD2-CB 3.5Å; L297-L441 HydrophobicContact CD2-CD1 4.5Å; L297-L441 HydrophobicContact CG-CB 3.95Å; L297-Q442 HydrophobicContact CD2-CG 3.74Å
298	D	98.8	Very high	97.7	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-47.8	179.1	-81.4	-19.7	0	0	0	111.9	N248 K294 F295 A302 A329	N248-D298 WeakPolarHBondContact CB-O 3.49Å; N248-D298 VanDerWaalsContact ND2-CB 3.32Å; N248-D298 WeakPolarHBondContact ND2-CB 3.26Å; N248-D298 PolarHBondContact ND2-OD1 3.01Å; K294-D298 IonicContact NZ-OD1 3.13Å; K294-D298 PolarHBondContact NZ-OD1 3.49Å; K294-D298 IonicContact NZ-OD2 3.22Å; K294-D298 PolarHBondContact NZ-OD2 3.15Å; K294-D298 WeakPolarHBondContact O-CB 3.4Å; K294-D298 PolarHBondContact O-N 2.91Å; F295-D298 PolarHBondContact O-N 3.5Å; D298-A302 PolarHBondContact O-N 2.88Å; D298-A329 HydrophobicContact CB-CB 3.81Å; D298-A329 PolarHBondContact OD2-N 3.43Å
299	V	98.9	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-39.7	177	176.8	0	0	0	0	110.9	F295 S296 L297 E301 A302 M303 L316 V321 A329 V331 Y373 L376	F295-V299 WeakPolarHBondContact O-CG2 3.32Å; F295-V299 PolarHBondContact O-N 3Å; F295-V299 VanDerWaalsContact O-N 3.15Å; S296-V299 PolarHBondContact O-N 2.91Å; L297-V299 VanDerWaalsContact C-N 3.33Å; L297-V299 PolarHBondContact O-N 3.49Å; V299-E301 PolarHBondContact O-N 3.28Å; V299-A302 WeakPolarHBondContact O-CB 3.45Å; V299-A302 PolarHBondContact O-N 3.1Å; V299-M303 HydrophobicContact CG1-CG 4.32Å; V299-M303 VanDerWaalsContact O-CG 3.28Å; V299-M303 WeakPolarHBondContact O-CG 3.39Å; V299-M303 PolarHBondContact O-N 3.38Å; V299-L316 HydrophobicContact CG1-CD1 4.09Å; V299-V321 HydrophobicContact CG2-CG1 3.83Å; V299-V321 HydrophobicContact CG2-CG2 3.91Å; V299-A329 HydrophobicContact CG2-CB 4.41Å; V299-V331 HydrophobicContact CB-CG2 4.44Å; V299-V331 HydrophobicContact CG1-CG2 3.92Å; V299-V331 HydrophobicContact CG2-CG2 4.41Å; V299-Y373 HydrophobicContact CB-CE2 4.17Å; V299-Y373 HydrophobicContact CG1-CD2 3.93Å; V299-Y373 HydrophobicContact CG1-CE2 3.86Å; V299-L376 HydrophobicContact CB-CD2 4.41Å; V299-L376 HydrophobicContact CG1-CD1 3.95Å; V299-L376 HydrophobicContact CG1-CD2 4.07Å; V299-L376 HydrophobicContact CG2-CD2 4.44Å
300	C	98.9	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.6	-41.7	178.9	-162.6	0	0	0	0	112.5	S296 L297 M303 E304 Y373 F434 R438 L441	S296-C300 WeakPolarHBondContact O-CB 3.45Å; S296-C300 PolarHBondContact O-N 3.36Å; L297-C300 WeakPolarHBondContact O-CB 3.39Å; L297-C300 PolarHBondContact O-N 3.26Å; L297-C300 VanDerWaalsContact O-N 3.1Å; C300-M303 PolarHBondContact O-N 3.18Å; C300-E304 WeakPolarHBondContact O-CB 3.4Å; C300-E304 PolarHBondContact O-N 3.29Å; C300-Y373 HydrophobicContact CB-CE2 4.25Å; C300-Y373 WeakPolarHBondContact CB-OH 3.41Å; C300-F434 PolarHBondContact SG-O 3.36Å; C300-F434 VanDerWaalsContact SG-O 3.38Å; C300-R438 PolarHBondContact SG-N 3.06Å; C300-R438 VanDerWaalsContact SG-N 3.35Å; C300-L441 HydrophobicContact CB-CD1 4.02Å
301	E	98.8	Very high	97	Very high	56 Å²	56	27 Å²	27	26%	0.262	15%	0.146	S	C	.	.	H	α-helix	trans	-64.7	-41.5	177.1	-75.7	172.7	-174.6	0	0	111.2	L297 V299 M303 E304 Y305 R438	L297-E301 WeakPolarHBondContact O-CG 3.44Å; L297-E301 PolarHBondContact O-N 3.41Å; V299-E301 PolarHBondContact O-N 3.28Å; E301-M303 VanDerWaalsContact C-N 3.34Å; E301-M303 PolarHBondContact O-N 3.12Å; E301-E304 PolarHBondContact O-N 2.87Å; E301-Y305 PolarHBondContact O-N 3.16Å; E301-Y305 VanDerWaalsContact O-N 3.08Å; E301-R438 VanDerWaalsContact CG-CD 3.43Å; E301-R438 HydrophobicContact CG-CG 4.16Å
302	A	98.6	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.3	-45.3	172.5	0	0	0	0	0	112.4	N248 L249 D298 V299 Y305 L306 V331	N248-A302 HydrophobicContact CB-CB 3.77Å; N248-A302 VanDerWaalsContact O-CB 3.22Å; N248-A302 WeakPolarHBondContact O-CB 3.49Å; L249-A302 HydrophobicContact CD2-CB 3.75Å; L249-A302 HydrophobicContact CG-CB 4.31Å; D298-A302 PolarHBondContact O-N 2.88Å; V299-A302 WeakPolarHBondContact O-CB 3.45Å; V299-A302 PolarHBondContact O-N 3.1Å; A302-Y305 WeakPolarHBondContact O-CB 3.49Å; A302-Y305 PolarHBondContact O-N 3.33Å; A302-L306 PolarHBondContact O-N 3.01Å; A302-L306 VanDerWaalsContact O-N 3.09Å; A302-V331 HydrophobicContact CB-CB 4.22Å; A302-V331 HydrophobicContact CB-CG2 3.65Å
303	M	98.7	Very high	96.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-75.9	-31.5	-177.2	-65.1	-54.2	-55.7	0	0	113.2	V299 C300 E301 Y305 L306 E307 H313 L316 V331 D369 F434	V299-M303 HydrophobicContact CG1-CG 4.32Å; V299-M303 VanDerWaalsContact O-CG 3.28Å; V299-M303 WeakPolarHBondContact O-CG 3.39Å; V299-M303 PolarHBondContact O-N 3.38Å; C300-M303 PolarHBondContact O-N 3.18Å; E301-M303 VanDerWaalsContact C-N 3.34Å; E301-M303 PolarHBondContact O-N 3.12Å; M303-Y305 VanDerWaalsContact C-N 3.31Å; M303-L306 HydrophobicContact CE-CD1 4.06Å; M303-L306 PolarHBondContact O-N 3.46Å; M303-L306 HydrophobicContact SD-CD1 3.84Å; M303-E307 WeakPolarHBondContact O-CB 3.42Å; M303-E307 PolarHBondContact O-N 2.94Å; M303-H313 HydrophobicContact CE-CB 3.92Å; M303-H313 HydrophobicContact SD-CB 4.47Å; M303-L316 HydrophobicContact CE-CD2 4.1Å; M303-L316 HydrophobicContact CG-CD1 4.42Å; M303-L316 HydrophobicContact CG-CD2 3.84Å; M303-L316 HydrophobicContact SD-CD1 3.89Å; M303-L316 HydrophobicContact SD-CD2 3.88Å; M303-L316 HydrophobicContact SD-CG 4.4Å; M303-V331 HydrophobicContact SD-CG1 4.46Å; M303-V331 HydrophobicContact SD-CG2 4.48Å; M303-D369 HydrophobicContact CE-CB 3.78Å; M303-F434 HydrophobicContact CB-CD1 3.4Å; M303-F434 VanDerWaalsContact CB-CD1 3.4Å; M303-F434 HydrophobicContact CB-CD2 3.84Å; M303-F434 HydrophobicContact CB-CE1 3.31Å; M303-F434 HydrophobicContact CB-CE2 3.75Å; M303-F434 HydrophobicContact CB-CG 3.67Å; M303-F434 HydrophobicContact CB-CZ 3.49Å; M303-F434 VanDerWaalsContact CB-CZ 3.49Å; M303-F434 HydrophobicContact CE-CE2 4.03Å; M303-F434 HydrophobicContact CE-CZ 3.92Å; M303-F434 HydrophobicContact CG-CD1 4.35Å; M303-F434 HydrophobicContact CG-CE1 3.81Å; M303-F434 HydrophobicContact CG-CZ 3.91Å
304	E	98.6	Very high	96.4	Very high	38 Å²	38	25.4 Å²	25.4	18%	0.178	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-41.7	168.8	-178.6	-179.8	-173.1	0	0	111	C300 E301 E307 A308 F434 R435 R438	C300-E304 WeakPolarHBondContact O-CB 3.4Å; C300-E304 PolarHBondContact O-N 3.29Å; E301-E304 PolarHBondContact O-N 2.87Å; E304-E307 PolarHBondContact O-N 3.26Å; E304-A308 WeakPolarHBondContact O-CB 3.28Å; E304-A308 PolarHBondContact O-N 3.1Å; E304-F434 HydrophobicContact CB-CB 3.83Å; E304-R435 HydrophobicContact CG-CB 4.22Å; E304-R435 WeakPolarHBondContact OE1-CB 3.31Å; E304-R435 WeakPolarHBondContact OE1-CG 3.3Å; E304-R438 IonicContact OE1-CZ 2.72Å; E304-R438 IonicContact OE1-NE 2.71Å; E304-R438 IonicContact OE1-NH2 2.82Å; E304-R438 PolarHBondContact OE1-NH2 3.26Å; E304-R438 WeakPolarHBondContact OE2-CD 3.2Å; E304-R438 IonicContact OE2-CZ 3.45Å; E304-R438 IonicContact OE2-NE 2.67Å; E304-R438 PolarHBondContact OE2-NE 2.67Å; E304-R438 IonicContact OE2-NH2 2.97Å
305	Y	98	Very high	96.2	Very high	51 Å²	51	23.2 Å²	23.2	20%	0.2	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-45.6	174.3	175.2	-88.7	0	0	0	111.8	L244 R245 H246 L249 E301 A302 M303 A308 N309	L244-Y305 HydrophobicContact CB-CE1 4.46Å; L244-Y305 HydrophobicContact CD2-CE1 4Å; R245-Y305 PolarHBondContact N-OH 2.93Å; R245-Y305 VanDerWaalsContact O-CE2 3.29Å; R245-Y305 WeakPolarHBondContact O-CE2 3.42Å; R245-Y305 VanDerWaalsContact O-CZ 3.27Å; R245-Y305 PolarHBondContact O-OH 3.37Å; H246-Y305 HydrophobicContact CB-CD1 3.92Å; H246-Y305 HydrophobicContact CB-CD2 4.05Å; H246-Y305 HydrophobicContact CB-CE1 4.21Å; H246-Y305 HydrophobicContact CB-CE2 4.33Å; H246-Y305 HydrophobicContact CB-CG 3.83Å; H246-Y305 AromaticContact CD2-CD2 3.78Å; H246-Y305 AromaticContact CD2-CG 3.89Å; H246-Y305 AromaticContact CG-CG 3.93Å; L249-Y305 HydrophobicContact CD1-CD1 3.52Å; L249-Y305 HydrophobicContact CD1-CE1 3.74Å; E301-Y305 PolarHBondContact O-N 3.16Å; E301-Y305 VanDerWaalsContact O-N 3.08Å; A302-Y305 WeakPolarHBondContact O-CB 3.49Å; A302-Y305 PolarHBondContact O-N 3.33Å; M303-Y305 VanDerWaalsContact C-N 3.31Å; Y305-A308 PolarHBondContact O-N 3.18Å; Y305-N309 WeakPolarHBondContact CE2-ND2 3.3Å; Y305-N309 PolarHBondContact O-N 3.46Å; Y305-N309 VanDerWaalsContact O-N 3.1Å; Y305-N309 PolarHBondContact O-ND2 2.95Å
306	L	96.2	Very high	96.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-44.7	176.3	-67.3	-178.4	0	0	0	111.8	L244 L249 A302 M303 A308 N309 N310 F311 H313 F334	L244-L306 HydrophobicContact CD1-CD2 3.85Å; L244-L306 HydrophobicContact CD2-CD2 3.64Å; L244-L306 HydrophobicContact CG-CD2 4.37Å; L249-L306 HydrophobicContact CD1-CD2 3.92Å; L249-L306 HydrophobicContact CD1-CG 4.43Å; L249-L306 HydrophobicContact CD2-CD1 4.41Å; L249-L306 HydrophobicContact CD2-CD2 4.5Å; L249-L306 HydrophobicContact CD2-CG 4.39Å; A302-L306 PolarHBondContact O-N 3.01Å; A302-L306 VanDerWaalsContact O-N 3.09Å; M303-L306 HydrophobicContact CE-CD1 4.06Å; M303-L306 PolarHBondContact O-N 3.46Å; M303-L306 HydrophobicContact SD-CD1 3.84Å; L306-A308 PolarHBondContact O-N 3.31Å; L306-N309 CarbonylContact O-C 3.51Å; L306-N309 PolarHBondContact O-N 3.47Å; L306-N309 VanDerWaalsContact O-N 3.14Å; L306-N310 PolarHBondContact O-N 3.11Å; L306-N310 VanDerWaalsContact O-N 3.13Å; L306-F311 HydrophobicContact CB-CB 4.2Å; L306-F311 HydrophobicContact CD2-CB 4.03Å; L306-F311 PolarHBondContact O-N 3.07Å; L306-H313 HydrophobicContact CD1-CB 4.24Å; L306-F334 HydrophobicContact CD1-CE1 4.48Å
307	E	96.4	Very high	96.1	Very high	38 Å²	38	23.1 Å²	23.1	18%	0.178	13%	0.125	C	C	.	.	H	α-helix	trans	-58.1	-46.3	176.5	173.3	167.1	-116.6	0	0	111.5	M303 E304 N309 N310 T366 S433 F434	M303-E307 WeakPolarHBondContact O-CB 3.42Å; M303-E307 PolarHBondContact O-N 2.94Å; E304-E307 PolarHBondContact O-N 3.26Å; E307-N309 PolarHBondContact O-N 3.31Å; E307-N310 PolarHBondContact O-N 3.23Å; E307-N310 VanDerWaalsContact O-N 3.13Å; E307-T366 HydrophobicContact CB-CG2 4.17Å; E307-T366 HydrophobicContact CG-CG2 4.04Å; E307-T366 PolarHBondContact OE1-OG1 3.05Å; E307-T366 VanDerWaalsContact OE1-OG1 3.14Å; E307-S433 WeakPolarHBondContact OE2-CB 3.33Å; E307-F434 HydrophobicContact CB-CD2 4.25Å; E307-F434 PolarHBondContact OE2-N 3.36Å
308	A	95.8	Very high	96.1	Very high	76 Å²	76	22.8 Å²	22.8	63%	0.628	12%	0.123	S	C	*	.	H	α-helix	trans	-65.3	-25.6	178.4	0	0	0	0	0	113.5	E304 Y305 L306	E304-A308 WeakPolarHBondContact O-CB 3.28Å; E304-A308 PolarHBondContact O-N 3.1Å; Y305-A308 PolarHBondContact O-N 3.18Å; L306-A308 PolarHBondContact O-N 3.31Å
309	N	90.1	Very high	95.9	Very high	67 Å²	67	26.6 Å²	26.6	36%	0.358	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	13.6	176.9	-70	-84.5	0	0	0	113.1	Y305 L306 E307 F311	Y305-N309 WeakPolarHBondContact CE2-ND2 3.3Å; Y305-N309 PolarHBondContact O-N 3.46Å; Y305-N309 VanDerWaalsContact O-N 3.1Å; Y305-N309 PolarHBondContact O-ND2 2.95Å; L306-N309 CarbonylContact O-C 3.51Å; L306-N309 PolarHBondContact O-N 3.47Å; L306-N309 VanDerWaalsContact O-N 3.14Å; E307-N309 PolarHBondContact O-N 3.31Å; N309-F311 VanDerWaalsContact C-N 3.25Å; N309-F311 HydrophobicContact CB-CD2 3.94Å; N309-F311 HydrophobicContact CB-CE2 4.4Å; N309-F311 WeakPolarHBondContact O-CD2 3.31Å; N309-F311 PolarHBondContact O-N 3.39Å
310	N	90.4	Very high	95.8	Very high	110 Å²	110	27.2 Å²	27.2	59%	0.588	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.8	178.7	-57.4	-62.2	0	0	0	115	L306 E307 E339 A340	L306-N310 PolarHBondContact O-N 3.11Å; L306-N310 VanDerWaalsContact O-N 3.13Å; E307-N310 PolarHBondContact O-N 3.23Å; E307-N310 VanDerWaalsContact O-N 3.13Å; N310-E339 CarbonylContact O-C 3.54Å; N310-E339 WeakPolarHBondContact O-CA 2.77Å; N310-A340 PolarHBondContact O-N 2.98Å
311	F	91.4	Very high	95.8	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.2	173.4	-76.8	-74.5	0	0	0	111.6	V240 Q243 L244 L306 N309 T337 E339	V240-F311 HydrophobicContact CG1-CD1 4.3Å; V240-F311 HydrophobicContact CG1-CE1 4.06Å; V240-F311 HydrophobicContact CG2-CE1 4.24Å; Q243-F311 HydrophobicContact CB-CE2 4.48Å; Q243-F311 HydrophobicContact CB-CZ 4.36Å; L244-F311 HydrophobicContact CD2-CD2 3.65Å; L244-F311 HydrophobicContact CD2-CE2 3.76Å; L244-F311 HydrophobicContact CD2-CG 4.32Å; L306-F311 HydrophobicContact CB-CB 4.2Å; L306-F311 HydrophobicContact CD2-CB 4.03Å; L306-F311 PolarHBondContact O-N 3.07Å; N309-F311 VanDerWaalsContact C-N 3.25Å; N309-F311 HydrophobicContact CB-CD2 3.94Å; N309-F311 HydrophobicContact CB-CE2 4.4Å; N309-F311 WeakPolarHBondContact O-CD2 3.31Å; N309-F311 PolarHBondContact O-N 3.39Å; F311-T337 HydrophobicContact CB-CG2 4.1Å; F311-T337 HydrophobicContact CD1-CG2 3.81Å; F311-T337 HydrophobicContact CG-CG2 4.28Å; F311-E339 HydrophobicContact CD1-CG 4.38Å; F311-E339 HydrophobicContact CE1-CG 3.92Å; F311-E339 HydrophobicContact CZ-CG 4.29Å
312	V	93.5	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.1	171.1	-172.5	0	0	0	0	107.9	R314 T337 K338 A340 F364 S365 T366 D369	V312-R314 HydrophobicContact CB-CG 4.31Å; V312-R314 HydrophobicContact CG1-CG 3.77Å; V312-T337 VanDerWaalsContact O-CA 3.3Å; V312-T337 WeakPolarHBondContact O-CA 3.41Å; V312-K338 PolarHBondContact N-O 3.43Å; V312-K338 PolarHBondContact O-N 2.62Å; V312-K338 VanDerWaalsContact O-N 3.11Å; V312-A340 HydrophobicContact CG2-CB 3.96Å; V312-F364 HydrophobicContact CG1-CB 4.3Å; V312-S365 WeakPolarHBondContact CG1-O 3.45Å; V312-T366 HydrophobicContact CG2-CG2 4.37Å; V312-D369 WeakPolarHBondContact CA-OD2 3.21Å; V312-D369 VanDerWaalsContact CG1-OD2 3.31Å; V312-D369 WeakPolarHBondContact CG1-OD2 3.45Å
313	H	94.1	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.			trans	-73.2	-40	-176.1	-170.1	-65.3	0	0	0	112.5	M303 L306 D315 L316 V331 S332 D333 D369	M303-H313 HydrophobicContact CE-CB 3.92Å; M303-H313 HydrophobicContact SD-CB 4.47Å; L306-H313 HydrophobicContact CD1-CB 4.24Å; H313-D315 PolarHBondContact CE1-O 2.63Å; H313-D315 VanDerWaalsContact CE1-O 3.28Å; H313-D315 PolarHBondContact ND1-N 2.87Å; H313-D315 PolarHBondContact ND1-O 3.08Å; H313-D315 PolarHBondContact O-N 3.49Å; H313-L316 PolarHBondContact ND1-N 3.37Å; H313-V331 VanDerWaalsContact CD2-CG1 3.44Å; H313-V331 WeakPolarHBondContact CD2-CG1 3.5Å; H313-V331 VanDerWaalsContact NE2-CG1 3.26Å; H313-V331 WeakPolarHBondContact NE2-CG1 3.37Å; H313-S332 PolarHBondContact NE2-O 3.25Å; H313-D333 PolarHBondContact CE1-O 3.09Å; H313-D369 PolarHBondContact N-OD2 3.29Å
314	R	93	Very high	95.6	Very high	11 Å²	11	27.2 Å²	27.2	4%	0.042	14%	0.143	C	C	.	.	S	Bend	trans	67.3	-21.6	177.4	-49.8	-174.2	-176.6	-161.9	-7.9	116.7	V312 L336 D345 F364 D369	V312-R314 HydrophobicContact CB-CG 4.31Å; V312-R314 HydrophobicContact CG1-CG 3.77Å; R314-L336 HydrophobicContact CB-CB 4.26Å; R314-L336 WeakPolarHBondContact CD-O 3.41Å; R314-D345 IonicContact NH1-OD2 3.43Å; R314-D345 PolarHBondContact NH1-OD2 3.38Å; R314-F364 HydrophobicContact CB-CD1 3.91Å; R314-F364 HydrophobicContact CB-CE1 4.12Å; R314-F364 HydrophobicContact CG-CB 4.16Å; R314-F364 HydrophobicContact CG-CD1 3.69Å; R314-F364 HydrophobicContact CG-CE1 4.34Å; R314-F364 HydrophobicContact CG-CG 4.02Å; R314-D369 PolarHBondContact N-OD1 3.1Å
315	D	92.9	Very high	95.4	Very high	18 Å²	18	30.7 Å²	30.7	10%	0.096	16%	0.163	C	C	.	.			trans	-128.6	48.6	174	-165	16.2	0	0	0	114.7	H313 A317 R319 N320 L336 P350	H313-D315 PolarHBondContact CE1-O 2.63Å; H313-D315 VanDerWaalsContact CE1-O 3.28Å; H313-D315 PolarHBondContact ND1-N 2.87Å; H313-D315 PolarHBondContact ND1-O 3.08Å; H313-D315 PolarHBondContact O-N 3.49Å; D315-A317 PolarHBondContact O-N 2.91Å; D315-R319 IonicContact OD1-CZ 2.69Å; D315-R319 IonicContact OD1-NH2 3.14Å; D315-R319 PolarHBondContact OD1-NH2 3.1Å; D315-R319 IonicContact OD2-CZ 2.69Å; D315-R319 IonicContact OD2-NH2 3.54Å; D315-R319 PolarHBondContact OD2-NH2 3.37Å; D315-N320 PolarHBondContact O-ND2 2.91Å; D315-N320 PolarHBondContact OD2-ND2 2.91Å; D315-L336 HydrophobicContact CB-CD1 3.96Å; D315-P350 VanDerWaalsContact OD1-CG 3.28Å; D315-P350 WeakPolarHBondContact OD1-CG 3.2Å
316	L	98	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.			trans	-75	119.1	175.6	-177.8	66.4	0	0	0	110.8	V299 M303 H313 V331 S372 Y373 L376	V299-L316 HydrophobicContact CG1-CD1 4.09Å; M303-L316 HydrophobicContact CE-CD2 4.1Å; M303-L316 HydrophobicContact CG-CD1 4.42Å; M303-L316 HydrophobicContact CG-CD2 3.84Å; M303-L316 HydrophobicContact SD-CD1 3.89Å; M303-L316 HydrophobicContact SD-CD2 3.88Å; M303-L316 HydrophobicContact SD-CG 4.4Å; H313-L316 PolarHBondContact ND1-N 3.37Å; L316-V331 HydrophobicContact CD1-CG1 4.11Å; L316-V331 HydrophobicContact CD1-CG2 4.23Å; L316-S372 WeakPolarHBondContact O-CB 3.4Å; L316-Y373 HydrophobicContact CD2-CD2 4.2Å; L316-L376 HydrophobicContact CD1-CD1 3.89Å; L316-L376 HydrophobicContact CG-CD1 3.96Å
317	A	98.1	Very high	95.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-159.7	160.5	177.5	0	0	0	0	0	110.6	D315 R319 N320 V321 W353	D315-A317 PolarHBondContact O-N 2.91Å; A317-R319 HydrophobicContact CB-CG 4.04Å; A317-R319 PolarHBondContact O-N 3.09Å; A317-R319 VanDerWaalsContact O-N 3.09Å; A317-N320 PolarHBondContact O-N 2.79Å; A317-V321 PolarHBondContact O-N 3.3Å; A317-W353 HydrophobicContact CB-CD2 4.18Å; A317-W353 HydrophobicContact CB-CG 3.98Å
318	A	98.4	Very high	95.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22	-179.6	0	0	0	0	0	114.1	L275 V276 N320 E379	L275-A318 WeakPolarHBondContact CB-O 3.39Å; L275-A318 PolarHBondContact N-O 3.34Å; V276-A318 HydrophobicContact CB-CB 3.95Å; V276-A318 PolarHBondContact N-O 3.46Å; A318-N320 VanDerWaalsContact C-N 3.31Å; A318-E379 HydrophobicContact CB-CB 4.01Å; A318-E379 HydrophobicContact CB-CG 4.47Å; A318-E379 PolarHBondContact N-OE2 3.34Å
319	R	96.1	Very high	95.3	Very high	84 Å²	84	34.7 Å²	34.7	32%	0.317	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-70.4	-24.8	172.3	67.1	176.7	-171.4	-74.1	-6	113.9	V276 D315 A317	V276-R319 HydrophobicContact CG1-CB 4.02Å; D315-R319 IonicContact OD1-CZ 2.69Å; D315-R319 IonicContact OD1-NH2 3.14Å; D315-R319 PolarHBondContact OD1-NH2 3.1Å; D315-R319 IonicContact OD2-CZ 2.69Å; D315-R319 IonicContact OD2-NH2 3.54Å; D315-R319 PolarHBondContact OD2-NH2 3.37Å; A317-R319 HydrophobicContact CB-CG 4.04Å; A317-R319 PolarHBondContact O-N 3.09Å; A317-R319 VanDerWaalsContact O-N 3.09Å
320	N	96.5	Very high	95.7	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.07	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-102.3	11.8	-179.4	-65.1	-12.6	0	0	0	111.9	D315 A317 A318 S332 D333	D315-N320 PolarHBondContact O-ND2 2.91Å; D315-N320 PolarHBondContact OD2-ND2 2.91Å; A317-N320 PolarHBondContact O-N 2.79Å; A318-N320 VanDerWaalsContact C-N 3.31Å; N320-S332 CarbonylContact O-C 3.45Å; N320-S332 WeakPolarHBondContact O-CA 3.48Å; N320-S332 PolarHBondContact O-N 3.37Å; N320-S332 PolarHBondContact O-OG 2.89Å; N320-D333 HydrophobicContact CB-CB 4.21Å
321	V	98.5	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.4	167.9	-179.6	0	0	0	0	107.6	S274 L275 V299 A317 A329 K330 V331 L376	S274-V321 CarbonylContact C-O 3.42Å; S274-V321 WeakPolarHBondContact CA-O 3.26Å; L275-V321 HydrophobicContact CB-CB 3.89Å; L275-V321 HydrophobicContact CB-CG1 3.99Å; L275-V321 HydrophobicContact CD2-CB 4.1Å; L275-V321 HydrophobicContact CD2-CG1 3.87Å; L275-V321 PolarHBondContact N-O 2.89Å; V299-V321 HydrophobicContact CG2-CG1 3.83Å; V299-V321 HydrophobicContact CG2-CG2 3.91Å; A317-V321 PolarHBondContact O-N 3.3Å; V321-A329 HydrophobicContact CG1-CB 3.82Å; V321-K330 CarbonylContact C-O 3.58Å; V321-K330 WeakPolarHBondContact CA-O 3.4Å; V321-V331 HydrophobicContact CG2-CG2 4.27Å; V321-L376 HydrophobicContact CG2-CD1 3.85Å
322	L	98	Very high	96.2	Very high	44 Å²	44	27.8 Å²	27.8	23%	0.23	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	154.6	178.4	-57.9	-177	0	0	0	110.9	V250 M270 G273 A329 K330	V250-L322 HydrophobicContact CG2-CB 4.44Å; V250-L322 HydrophobicContact CG2-CD1 4.16Å; M270-L322 HydrophobicContact CB-CB 3.59Å; M270-L322 HydrophobicContact CB-CD1 3.94Å; M270-L322 HydrophobicContact CB-CG 4.36Å; M270-L322 HydrophobicContact CE-CB 3.91Å; M270-L322 WeakPolarHBondContact CE-O 3.45Å; M270-L322 HydrophobicContact CG-CB 3.6Å; M270-L322 HydrophobicContact CG-CD1 3.75Å; M270-L322 HydrophobicContact CG-CG 4.33Å; G273-L322 CarbonylContact O-C 3.53Å; G273-L322 VanDerWaalsContact O-CA 3.29Å; G273-L322 WeakPolarHBondContact O-CA 3.47Å; L322-A329 WeakPolarHBondContact O-CA 3.42Å; L322-K330 PolarHBondContact N-O 3.13Å; L322-K330 PolarHBondContact O-N 3.14Å
323	V	98.4	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.6	-177.8	-173.9	0	0	0	0	110.5	M270 K272 G273 L275 Y278 F295	M270-V323 CarbonylContact C-O 3.54Å; K272-V323 HydrophobicContact CB-CB 3.83Å; K272-V323 HydrophobicContact CB-CG1 3.94Å; K272-V323 WeakPolarHBondContact CB-O 3.39Å; K272-V323 HydrophobicContact CD-CG1 4.1Å; K272-V323 PolarHBondContact N-O 2.68Å; G273-V323 PolarHBondContact O-N 3.33Å; L275-V323 HydrophobicContact CB-CG2 4.11Å; L275-V323 HydrophobicContact CD1-CG2 3.84Å; Y278-V323 HydrophobicContact CD1-CG2 4.49Å; Y278-V323 HydrophobicContact CG-CG2 4.32Å; F295-V323 HydrophobicContact CE1-CG1 4.25Å; F295-V323 HydrophobicContact CZ-CG1 4.45Å
324	S	96.1	Very high	95.4	Very high	13 Å²	13	30 Å²	30	9%	0.091	15%	0.153	C	C	.	.			trans	-74.6	171.6	177.8	76.8	0	0	0	0	111.5	M270 K272 D326 N327 I328	M270-S324 VanDerWaalsContact CE-N 3.28Å; K272-S324 WeakPolarHBondContact CD-O 3.48Å; S324-D326 PolarHBondContact O-N 3.26Å; S324-D326 PolarHBondContact OG-N 3.05Å; S324-N327 PolarHBondContact O-N 3.08Å; S324-N327 VanDerWaalsContact O-N 3.11Å; S324-I328 PolarHBondContact N-O 3.46Å; S324-I328 WeakPolarHBondContact OG-CB 3.38Å; S324-I328 PolarHBondContact OG-N 3.33Å
325	D	94.1	Very high	94.6	Very high	111 Å²	111	30 Å²	30	59%	0.594	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.2	175.2	-160.4	38.4	0	0	0	112.3	A271 K272 N327	A271-D325 HydrophobicContact CB-CB 4Å; K272-D325 WeakPolarHBondContact CE-O 3.33Å; K272-D325 PolarHBondContact NZ-O 3.3Å; D325-N327 PolarHBondContact O-N 3.13Å
326	D	93.4	Very high	93.8	Very high	129 Å²	129	31.1 Å²	31.1	69%	0.69	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	14.1	177	-56.1	-54.9	0	0	0	114.4	S324 I328	S324-D326 PolarHBondContact O-N 3.26Å; S324-D326 PolarHBondContact OG-N 3.05Å; D326-I328 VanDerWaalsContact C-N 3.3Å; D326-I328 HydrophobicContact CB-CD1 4.34Å; D326-I328 HydrophobicContact CB-CG1 4.32Å; D326-I328 PolarHBondContact O-N 2.85Å
327	N	94.5	Very high	93	Very high	61 Å²	61	31.4 Å²	31.4	33%	0.326	16%	0.164	S	C	.	.			trans	59.8	33.7	-176.1	-60	-52.4	0	0	0	114.2	K272 Y278 F295 S324 D325	K272-N327 WeakPolarHBondContact CD-OD1 3.4Å; K272-N327 VanDerWaalsContact NZ-CG 3.29Å; K272-N327 PolarHBondContact NZ-ND2 3.46Å; K272-N327 PolarHBondContact NZ-OD1 3Å; Y278-N327 PolarHBondContact OH-OD1 3.1Å; F295-N327 WeakPolarHBondContact CE1-O 3.38Å; S324-N327 PolarHBondContact O-N 3.08Å; S324-N327 VanDerWaalsContact O-N 3.11Å; D325-N327 PolarHBondContact O-N 3.13Å
328	I	97.8	Very high	92.2	Very high	59 Å²	59	35.6 Å²	35.6	30%	0.303	18%	0.183	S	C	.	.			trans	-91.4	124.9	171.7	-56.7	172.8	0	0	0	107.9	S324 D326 K330	S324-I328 PolarHBondContact N-O 3.46Å; S324-I328 WeakPolarHBondContact OG-CB 3.38Å; S324-I328 PolarHBondContact OG-N 3.33Å; D326-I328 VanDerWaalsContact C-N 3.3Å; D326-I328 HydrophobicContact CB-CD1 4.34Å; D326-I328 HydrophobicContact CB-CG1 4.32Å; D326-I328 PolarHBondContact O-N 2.85Å; I328-K330 HydrophobicContact CG2-CG 4.35Å
329	A	98.6	Very high	91.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	134.7	172.6	0	0	0	0	0	110.4	N248 F295 D298 V299 V321 L322	N248-A329 PolarHBondContact ND2-O 3.3Å; N248-A329 VanDerWaalsContact ND2-O 3.14Å; F295-A329 HydrophobicContact CD1-CB 3.67Å; F295-A329 HydrophobicContact CE1-CB 4.37Å; F295-A329 HydrophobicContact CG-CB 4.48Å; D298-A329 HydrophobicContact CB-CB 3.81Å; D298-A329 PolarHBondContact OD2-N 3.43Å; V299-A329 HydrophobicContact CG2-CB 4.41Å; V321-A329 HydrophobicContact CG1-CB 3.82Å; L322-A329 WeakPolarHBondContact O-CA 3.42Å
330	K	98.7	Very high	89.7	Confident	27 Å²	27	39.5 Å²	39.5	12%	0.117	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.5	175	-51.9	-167.9	177.8	-162.9	0	111.1	N247 N248 V250 E268 M270 V321 L322 I328	N247-K330 WeakPolarHBondContact O-CD 3.46Å; N247-K330 WeakPolarHBondContact O-CE 3.27Å; N247-K330 PolarHBondContact O-NZ 2.81Å; N248-K330 CarbonylContact O-C 3.59Å; N248-K330 WeakPolarHBondContact O-CA 3.42Å; V250-K330 HydrophobicContact CG2-CB 3.77Å; E268-K330 WeakPolarHBondContact OE1-CD 3.37Å; E268-K330 IonicContact OE1-NZ 3.48Å; E268-K330 PolarHBondContact OE1-NZ 3.43Å; E268-K330 IonicContact OE2-NZ 2.8Å; E268-K330 PolarHBondContact OE2-NZ 3.24Å; M270-K330 HydrophobicContact CE-CB 3.8Å; M270-K330 HydrophobicContact CE-CD 3.83Å; M270-K330 HydrophobicContact CE-CG 3.61Å; M270-K330 HydrophobicContact SD-CD 4.04Å; M270-K330 HydrophobicContact SD-CG 4.47Å; V321-K330 CarbonylContact C-O 3.58Å; V321-K330 WeakPolarHBondContact CA-O 3.4Å; L322-K330 PolarHBondContact N-O 3.13Å; L322-K330 PolarHBondContact O-N 3.14Å; I328-K330 HydrophobicContact CG2-CG 4.35Å
331	V	98.4	Very high	88.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141	175	-178.9	0	0	0	0	109.5	N248 L249 V250 V299 A302 M303 H313 L316 V321	N248-V331 PolarHBondContact O-N 3.06Å; L249-V331 HydrophobicContact CD2-CB 3.92Å; V250-V331 PolarHBondContact N-O 2.91Å; V299-V331 HydrophobicContact CB-CG2 4.44Å; V299-V331 HydrophobicContact CG1-CG2 3.92Å; V299-V331 HydrophobicContact CG2-CG2 4.41Å; A302-V331 HydrophobicContact CB-CB 4.22Å; A302-V331 HydrophobicContact CB-CG2 3.65Å; M303-V331 HydrophobicContact SD-CG1 4.46Å; M303-V331 HydrophobicContact SD-CG2 4.48Å; H313-V331 VanDerWaalsContact CD2-CG1 3.44Å; H313-V331 WeakPolarHBondContact CD2-CG1 3.5Å; H313-V331 VanDerWaalsContact NE2-CG1 3.26Å; H313-V331 WeakPolarHBondContact NE2-CG1 3.37Å; L316-V331 HydrophobicContact CD1-CG1 4.11Å; L316-V331 HydrophobicContact CD1-CG2 4.23Å; V321-V331 HydrophobicContact CG2-CG2 4.27Å
332	S	94.1	Very high	85.8	Confident	13 Å²	13	47.2 Å²	47.2	9%	0.091	27%	0.27	C	S	.	.			trans	-141.9	-177.5	-174.1	73.9	0	0	0	0	110.9	H313 N320	H313-S332 PolarHBondContact NE2-O 3.25Å; N320-S332 CarbonylContact O-C 3.45Å; N320-S332 WeakPolarHBondContact O-CA 3.48Å; N320-S332 PolarHBondContact O-N 3.37Å; N320-S332 PolarHBondContact O-OG 2.89Å
333	D	85.9	Confident	83.8	Confident	44 Å²	44	50.9 Å²	50.9	24%	0.235	29%	0.288	C	S	.	.			trans	60.3	72.7	179.8	-161.2	-1.4	0	0	0	113.1	H313 N320 G335	H313-D333 PolarHBondContact CE1-O 3.09Å; N320-D333 HydrophobicContact CB-CB 4.21Å; D333-G335 PolarHBondContact O-N 3.05Å
334	F	84.2	Confident	81.7	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.009	32%	0.323	C	S	.	.			trans	-87.1	14.3	-179.6	-55.4	-80.9	0	0	0	112.7	E237 V240 M241 L244 L249 L306 L336 T337	E237-F334 HydrophobicContact CG-CB 4.22Å; V240-F334 HydrophobicContact CG1-CB 4.19Å; M241-F334 HydrophobicContact CE-CD2 4.03Å; M241-F334 HydrophobicContact CE-CE2 4.07Å; M241-F334 HydrophobicContact CG-CB 4.28Å; M241-F334 HydrophobicContact CG-CD2 3.52Å; M241-F334 HydrophobicContact CG-CE2 4.2Å; M241-F334 HydrophobicContact CG-CG 4.17Å; M241-F334 HydrophobicContact SD-CD2 3.98Å; L244-F334 HydrophobicContact CD1-CD1 3.72Å; L244-F334 HydrophobicContact CD1-CE1 3.68Å; L244-F334 HydrophobicContact CD1-CG 4.23Å; L244-F334 HydrophobicContact CD1-CZ 4.14Å; L249-F334 HydrophobicContact CB-CZ 4.23Å; L249-F334 HydrophobicContact CD2-CE1 3.97Å; L249-F334 HydrophobicContact CD2-CZ 3.83Å; L249-F334 HydrophobicContact CG-CZ 4.46Å; L306-F334 HydrophobicContact CD1-CE1 4.48Å; F334-L336 PolarHBondContact O-N 2.8Å; F334-L336 VanDerWaalsContact O-N 3.16Å; F334-T337 WeakPolarHBondContact CA-OG1 3.49Å; F334-T337 HydrophobicContact CD1-CG2 4.41Å; F334-T337 VanDerWaalsContact O-CB 3.31Å; F334-T337 WeakPolarHBondContact O-CB 3.28Å; F334-T337 PolarHBondContact O-N 2.91Å
335	G	77	Confident	80	Confident	13 Å²	13	59 Å²	59	13%	0.134	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.7	-174.9	0	0	0	0	0	114.5	D333	D333-G335 PolarHBondContact O-N 3.05Å
336	L	75.6	Confident	78.2	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.209	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-3.6	174	-62.9	179	0	0	0	113.3	R314 D315 F334 K338 A347	R314-L336 HydrophobicContact CB-CB 4.26Å; R314-L336 WeakPolarHBondContact CD-O 3.41Å; D315-L336 HydrophobicContact CB-CD1 3.96Å; F334-L336 PolarHBondContact O-N 2.8Å; F334-L336 VanDerWaalsContact O-N 3.16Å; L336-K338 PolarHBondContact O-N 2.92Å; L336-A347 HydrophobicContact CD2-CB 4.12Å
337	T	80.4	Confident	76.9	Confident	6 Å²	6	55.9 Å²	55.9	4%	0.037	32%	0.318	C	S	.	.			trans	-68.9	132	-177.1	-62.2	0	0	0	0	110.2	V240 F311 V312 F334	V240-T337 HydrophobicContact CG1-CG2 3.72Å; F311-T337 HydrophobicContact CB-CG2 4.1Å; F311-T337 HydrophobicContact CD1-CG2 3.81Å; F311-T337 HydrophobicContact CG-CG2 4.28Å; V312-T337 VanDerWaalsContact O-CA 3.3Å; V312-T337 WeakPolarHBondContact O-CA 3.41Å; F334-T337 WeakPolarHBondContact CA-OG1 3.49Å; F334-T337 HydrophobicContact CD1-CG2 4.41Å; F334-T337 VanDerWaalsContact O-CB 3.31Å; F334-T337 WeakPolarHBondContact O-CB 3.28Å; F334-T337 PolarHBondContact O-N 2.91Å
338	K	80.9	Confident	75.9	Confident	88 Å²	88	62.4 Å²	62.4	38%	0.383	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.1	178.8	-67	-179.5	-177.3	168.3	0	110	V312 L336 D345	V312-K338 PolarHBondContact N-O 3.43Å; V312-K338 PolarHBondContact O-N 2.62Å; V312-K338 VanDerWaalsContact O-N 3.11Å; L336-K338 PolarHBondContact O-N 2.92Å; K338-D345 IonicContact NZ-OD2 2.68Å; K338-D345 PolarHBondContact NZ-OD2 3.37Å
339	E	75.4	Confident	75.2	Confident	107 Å²	107	61 Å²	61	50%	0.5	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	144	164.5	-70.5	-176.1	175.4	0	0	109.6	N310 F311 S341	N310-E339 CarbonylContact O-C 3.54Å; N310-E339 WeakPolarHBondContact O-CA 2.77Å; F311-E339 HydrophobicContact CD1-CG 4.38Å; F311-E339 HydrophobicContact CE1-CG 3.92Å; F311-E339 HydrophobicContact CZ-CG 4.29Å; E339-S341 PolarHBondContact O-N 3.32Å; E339-S341 PolarHBondContact O-OG 3.29Å
340	A	67.8	Low	74.8	Confident	60 Å²	60	62.1 Å²	62.1	50%	0.496	34%	0.344	S	S	.	.	S	Bend	trans	-57.5	106.9	177.9	0	0	0	0	0	109.9	N310 V312	N310-A340 PolarHBondContact O-N 2.98Å; V312-A340 HydrophobicContact CG2-CB 3.96Å
341	S	63.9	Low	74.6	Confident	48 Å²	48	62.9 Å²	62.9	34%	0.336	35%	0.351	S	S	.	.			trans	-140	153.3	-179.1	56.9	0	0	0	0	110.3	E339 I343	E339-S341 PolarHBondContact O-N 3.32Å; E339-S341 PolarHBondContact O-OG 3.29Å; S341-I343 PolarHBondContact O-N 2.79Å
342	S	49.9	Very low	74.5	Confident	127 Å²	127	64.7 Å²	64.7	89%	0.888	36%	0.359	S	S	*	.			trans	-79.1	10.7	-177.7	50	0	0	0	0	114.4
343	I	54.7	Low	74.7	Confident	121 Å²	121	65.8 Å²	65.8	62%	0.621	36%	0.361	S	S	*	.			trans	-81.6	128.4	-171.9	-54.7	176.8	0	0	0	110.5	S341	S341-I343 PolarHBondContact O-N 2.79Å
344	Q	54.3	Low	75.2	Confident	154 Å²	154	64 Å²	64	72%	0.72	35%	0.352	S	S	*	.			trans	-65.9	131.8	174.3	-67.3	-179.8	-19.6	0	0	110.8	K362	Q344-K362 HydrophobicContact CB-CB 4.27Å; Q344-K362 HydrophobicContact CG-CB 4.26Å
345	D	60	Low	75.8	Confident	29 Å²	29	63.9 Å²	63.9	16%	0.155	35%	0.351	C	S	.	.			trans	-109.8	140.2	-179.2	-149.7	-35.4	0	0	0	111	R314 K338 A347 F364	R314-D345 IonicContact NH1-OD2 3.43Å; R314-D345 PolarHBondContact NH1-OD2 3.38Å; K338-D345 IonicContact NZ-OD2 2.68Å; K338-D345 PolarHBondContact NZ-OD2 3.37Å; D345-A347 PolarHBondContact OD1-N 3.43Å; D345-F364 HydrophobicContact CB-CE2 4.33Å
346	T	57.8	Low	76.6	Confident	145 Å²	145	64 Å²	64	89%	0.89	35%	0.35	S	S	*	.			trans	-98.4	-0	-179.1	54.6	0	0	0	0	113.1
347	A	65.4	Low	77.5	Confident	29 Å²	29	62.7 Å²	62.7	24%	0.24	34%	0.343	C	S	.	.	S	Bend	trans	-56.6	146.1	177.6	0	0	0	0	0	112.8	L336 D345 L349	L336-A347 HydrophobicContact CD2-CB 4.12Å; D345-A347 PolarHBondContact OD1-N 3.43Å; A347-L349 WeakPolarHBondContact O-CG 3.26Å; A347-L349 PolarHBondContact O-N 3.33Å
348	K	74.2	Confident	78	Confident	199 Å²	199	62.4 Å²	62.4	87%	0.865	34%	0.341	S	S	*	.			trans	-65.5	126.7	169.8	-76.7	-179.8	-179.6	172.3	0	108.7
349	L	81.9	Confident	78.5	Confident	29 Å²	29	59.8 Å²	59.8	15%	0.152	33%	0.331	C	S	.	.			trans	-104.4	141.8	-174	-57.7	175.1	0	0	0	111.9	A347 V351 T354 L359 K362 F364	A347-L349 WeakPolarHBondContact O-CG 3.26Å; A347-L349 PolarHBondContact O-N 3.33Å; L349-V351 PolarHBondContact O-N 2.98Å; L349-T354 HydrophobicContact CD1-CG2 4.36Å; L349-L359 HydrophobicContact CB-CD2 4.03Å; L349-L359 HydrophobicContact CD1-CD2 4.1Å; L349-K362 HydrophobicContact CD1-CD 4.26Å; L349-F364 HydrophobicContact CD1-CE1 4.47Å; L349-F364 HydrophobicContact CD1-CE2 4.48Å; L349-F364 HydrophobicContact CD1-CZ 3.64Å; L349-F364 HydrophobicContact CD2-CE1 4.14Å; L349-F364 HydrophobicContact CD2-CZ 3.54Å; L349-F364 HydrophobicContact CG-CZ 4.23Å
350	P	90.8	Very high	79	Confident	24 Å²	24	63.7 Å²	63.7	16%	0.156	34%	0.341	C	S	.	.			trans	-77.6	84.3	176.8	32.9	-34.9	0	0	0	110.6	D315 K352 W353 T354	D315-P350 VanDerWaalsContact OD1-CG 3.28Å; D315-P350 WeakPolarHBondContact OD1-CG 3.2Å; P350-K352 PolarHBondContact O-N 3.07Å; P350-W353 HydrophobicContact CB-CE3 4.11Å; P350-W353 PolarHBondContact O-N 2.99Å; P350-T354 PolarHBondContact O-N 2.88Å; P350-T354 VanDerWaalsContact O-N 3.17Å; P350-T354 PolarHBondContact O-OG1 3.11Å
351	V	94	Very high	79.9	Confident	42 Å²	42	65.3 Å²	65.3	26%	0.255	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.2	-39.6	-170.9	176.3	0	0	0	0	115.3	L349 W353 L359 L393 V397	L349-V351 PolarHBondContact O-N 2.98Å; V351-W353 VanDerWaalsContact C-N 3.35Å; V351-W353 PolarHBondContact O-N 3.28Å; V351-L359 HydrophobicContact CG1-CD1 4.14Å; V351-L359 HydrophobicContact CG2-CD2 4.33Å; V351-L393 HydrophobicContact CB-CD1 3.92Å; V351-L393 HydrophobicContact CB-CG 4.38Å; V351-L393 HydrophobicContact CG1-CD1 4.03Å; V351-L393 HydrophobicContact CG1-CG 4.4Å; V351-V397 HydrophobicContact CG1-CG2 3.81Å
352	K	97.3	Very high	81	Confident	38 Å²	38	66.4 Å²	66.4	17%	0.165	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.8	-178.2	-65.2	-176.3	172.7	-160.6	0	113.4	P350 V386 P387 Y388 L393	P350-K352 PolarHBondContact O-N 3.07Å; K352-V386 HydrophobicContact CD-CG1 4.39Å; K352-V386 VanDerWaalsContact NZ-CG1 3.27Å; K352-P387 HydrophobicContact CB-CB 4.36Å; K352-P387 HydrophobicContact CD-CB 4.44Å; K352-P387 WeakPolarHBondContact CD-O 3.49Å; K352-P387 WeakPolarHBondContact CE-O 3.34Å; K352-P387 PolarHBondContact NZ-O 3.04Å; K352-Y388 HydrophobicContact CB-CD2 3.93Å; K352-Y388 HydrophobicContact CB-CE2 3.96Å; K352-Y388 HydrophobicContact CD-CD2 4.28Å; K352-Y388 HydrophobicContact CG-CD2 3.92Å; K352-Y388 HydrophobicContact CG-CE2 4.4Å; K352-Y388 WeakPolarHBondContact O-CE2 3.43Å; K352-L393 HydrophobicContact CD-CD1 4.43Å; K352-L393 HydrophobicContact CG-CD1 3.81Å
353	W	97.9	Very high	82.8	Confident	36 Å²	36	66.1 Å²	66.1	14%	0.136	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-24.5	-179.3	-69.7	-97.9	0	0	0	112.3	A317 P350 V351 W371 S372 I375 E379 P387	A317-W353 HydrophobicContact CB-CD2 4.18Å; A317-W353 HydrophobicContact CB-CG 3.98Å; P350-W353 HydrophobicContact CB-CE3 4.11Å; P350-W353 PolarHBondContact O-N 2.99Å; V351-W353 VanDerWaalsContact C-N 3.35Å; V351-W353 PolarHBondContact O-N 3.28Å; W353-W371 VanDerWaalsContact O-CD1 3.28Å; W353-S372 WeakPolarHBondContact O-CA 3.36Å; W353-S372 PolarHBondContact O-OG 2.9Å; W353-S372 VanDerWaalsContact O-OG 3.04Å; W353-I375 VanDerWaalsContact CD1-CG2 3.45Å; W353-I375 HydrophobicContact CD2-CG2 4.47Å; W353-I375 HydrophobicContact CG-CG2 4.03Å; W353-E379 WeakPolarHBondContact CZ2-OE1 3.48Å; W353-E379 VanDerWaalsContact NE1-CD 3.28Å; W353-E379 PolarHBondContact NE1-OE2 3.39Å; W353-P387 HydrophobicContact CH2-CG 4.34Å; W353-P387 HydrophobicContact CZ2-CG 3.73Å
354	T	96.3	Very high	84.5	Confident	7 Å²	7	61 Å²	61	4%	0.043	29%	0.29	C	S	.	.	S	Bend	trans	-76.7	135.3	-174.1	-46.6	0	0	0	0	112.5	L349 P350 A358 L359 F364	L349-T354 HydrophobicContact CD1-CG2 4.36Å; P350-T354 PolarHBondContact O-N 2.88Å; P350-T354 VanDerWaalsContact O-N 3.17Å; P350-T354 PolarHBondContact O-OG1 3.11Å; T354-A358 HydrophobicContact CG2-CB 3.64Å; T354-L359 HydrophobicContact CG2-CD2 3.74Å; T354-L359 HydrophobicContact CG2-CG 3.67Å; T354-F364 HydrophobicContact CG2-CE1 4.35Å
355	A	96.3	Very high	86.4	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.			trans	-62.5	149.4	175.3	0	0	0	0	0	112.5	E357 A358 L359 W371	A355-E357 VanDerWaalsContact C-N 3.34Å; A355-E357 VanDerWaalsContact CB-OE1 3.28Å; A355-E357 WeakPolarHBondContact CB-OE1 3.37Å; A355-E357 WeakPolarHBondContact CB-OE2 3.49Å; A355-E357 PolarHBondContact O-N 2.89Å; A355-A358 HydrophobicContact CB-CB 4.38Å; A355-A358 PolarHBondContact O-N 3.34Å; A355-L359 PolarHBondContact O-N 3.35Å; A355-W371 HydrophobicContact CB-CB 3.71Å; A355-W371 HydrophobicContact CB-CD2 4.08Å; A355-W371 HydrophobicContact CB-CG 3.68Å
356	P	94.4	Very high	88.1	Confident	16 Å²	16	55 Å²	55	10%	0.104	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-43.1	-177.9	-26.7	35.2	0	0	0	114	A358 L359 R360 W371 V400 L426	P356-A358 VanDerWaalsContact C-N 3.32Å; P356-A358 PolarHBondContact O-N 2.94Å; P356-L359 PolarHBondContact O-N 3.34Å; P356-R360 WeakPolarHBondContact O-CB 3.46Å; P356-R360 PolarHBondContact O-N 3.18Å; P356-W371 HydrophobicContact CG-CH2 3.92Å; P356-W371 HydrophobicContact CG-CZ2 4.17Å; P356-W371 HydrophobicContact CG-CZ3 4.2Å; P356-V400 HydrophobicContact CG-CG1 3.76Å; P356-L426 HydrophobicContact CG-CD2 4.28Å
357	E	93.1	Very high	90	Very high	12 Å²	12	50.3 Å²	50.3	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-34.2	178.3	73.5	-74.7	-179.3	0	0	112.3	A355 E361 P428 R431	A355-E357 VanDerWaalsContact C-N 3.34Å; A355-E357 VanDerWaalsContact CB-OE1 3.28Å; A355-E357 WeakPolarHBondContact CB-OE1 3.37Å; A355-E357 WeakPolarHBondContact CB-OE2 3.49Å; A355-E357 PolarHBondContact O-N 2.89Å; E357-E361 WeakPolarHBondContact O-CA 3.43Å; E357-E361 VanDerWaalsContact O-CB 3.28Å; E357-E361 WeakPolarHBondContact O-CB 3.11Å; E357-E361 PolarHBondContact O-N 2.92Å; E357-P428 HydrophobicContact CG-CG 3.86Å; E357-R431 IonicContact OE1-CZ 2.58Å; E357-R431 IonicContact OE1-NH1 2.82Å; E357-R431 PolarHBondContact OE1-NH1 3.38Å; E357-R431 IonicContact OE1-NH2 3.9Å; E357-R431 PolarHBondContact OE1-NH2 3.27Å; E357-R431 IonicContact OE2-CZ 3.51Å; E357-R431 IonicContact OE2-NH1 3.27Å; E357-R431 IonicContact OE2-NH2 3.93Å; E357-R431 PolarHBondContact OE2-NH2 2.8Å
358	A	91.9	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.7	-32.1	176.6	0	0	0	0	0	111.9	T354 A355 P356 K362 F364	T354-A358 HydrophobicContact CG2-CB 3.64Å; A355-A358 HydrophobicContact CB-CB 4.38Å; A355-A358 PolarHBondContact O-N 3.34Å; P356-A358 VanDerWaalsContact C-N 3.32Å; P356-A358 PolarHBondContact O-N 2.94Å; A358-K362 VanDerWaalsContact O-CA 3.28Å; A358-K362 WeakPolarHBondContact O-CA 3.3Å; A358-K362 PolarHBondContact O-N 2.92Å; A358-F364 HydrophobicContact CB-CD1 3.91Å; A358-F364 HydrophobicContact CB-CE1 3.82Å; A358-F364 HydrophobicContact CB-CG 4.44Å; A358-F364 HydrophobicContact CB-CZ 4.25Å
359	L	90.3	Very high	92.6	Very high	32 Å²	32	39.6 Å²	39.6	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-71.1	-46.4	174.1	-71.9	172.4	0	0	0	112.4	L349 V351 T354 A355 P356 V397	L349-L359 HydrophobicContact CB-CD2 4.03Å; L349-L359 HydrophobicContact CD1-CD2 4.1Å; V351-L359 HydrophobicContact CG1-CD1 4.14Å; V351-L359 HydrophobicContact CG2-CD2 4.33Å; T354-L359 HydrophobicContact CG2-CD2 3.74Å; T354-L359 HydrophobicContact CG2-CG 3.67Å; A355-L359 PolarHBondContact O-N 3.35Å; P356-L359 PolarHBondContact O-N 3.34Å; L359-V397 HydrophobicContact CD1-CG2 3.57Å
360	R	87.2	Confident	93.4	Very high	189 Å²	189	38.2 Å²	38.2	71%	0.713	17%	0.174	S	C	*	.	H	α-helix	trans	-84.2	-47.8	-171.6	-175.6	176.8	177.9	172.2	-4.7	113.4	P356 E401	P356-R360 WeakPolarHBondContact O-CB 3.46Å; P356-R360 PolarHBondContact O-N 3.18Å; R360-E401 IonicContact NH1-OE1 3.6Å
361	E	87.1	Confident	93.8	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	17%	0.168	S	C	.	.	S	Bend	trans	-98.1	-5.6	-173.8	-56.3	170.3	-171.2	0	0	112.2	E357 R363	E357-E361 WeakPolarHBondContact O-CA 3.43Å; E357-E361 VanDerWaalsContact O-CB 3.28Å; E357-E361 WeakPolarHBondContact O-CB 3.11Å; E357-E361 PolarHBondContact O-N 2.92Å; E361-R363 HydrophobicContact CB-CB 4.02Å; E361-R363 PolarHBondContact O-N 2.91Å; E361-R363 VanDerWaalsContact O-N 3.17Å; E361-R363 IonicContact OE2-CZ 3.07Å; E361-R363 IonicContact OE2-NE 2.95Å; E361-R363 PolarHBondContact OE2-NE 3.35Å; E361-R363 IonicContact OE2-NH2 3.89Å; E361-R363 PolarHBondContact OE2-NH2 3.38Å
362	K	86.6	Confident	94	Very high	70 Å²	70	35.6 Å²	35.6	30%	0.304	16%	0.157	S	C	.	.			trans	54.8	27.5	-170.1	-55.3	-58.5	-174.4	-176.8	0	112.7	Q344 L349 A358 F364	Q344-K362 HydrophobicContact CB-CB 4.27Å; Q344-K362 HydrophobicContact CG-CB 4.26Å; L349-K362 HydrophobicContact CD1-CD 4.26Å; A358-K362 VanDerWaalsContact O-CA 3.28Å; A358-K362 WeakPolarHBondContact O-CA 3.3Å; A358-K362 PolarHBondContact O-N 2.92Å; K362-F364 WeakPolarHBondContact O-CD2 3.32Å
363	R	87.1	Confident	94.1	Very high	121 Å²	121	33.8 Å²	33.8	46%	0.457	15%	0.149	S	C	.	.			trans	-96.7	96.5	-177.3	-171.3	167.7	60.4	97.9	0.4	110.4	E361	E361-R363 HydrophobicContact CB-CB 4.02Å; E361-R363 PolarHBondContact O-N 2.91Å; E361-R363 VanDerWaalsContact O-N 3.17Å; E361-R363 IonicContact OE2-CZ 3.07Å; E361-R363 IonicContact OE2-NE 2.95Å; E361-R363 PolarHBondContact OE2-NE 3.35Å; E361-R363 IonicContact OE2-NH2 3.89Å; E361-R363 PolarHBondContact OE2-NH2 3.38Å
364	F	90.3	Very high	94.1	Very high	15 Å²	15	32 Å²	32	7%	0.066	14%	0.143	C	C	.	.			trans	-89.1	141.5	176.6	-64.5	-89.5	0	0	0	111.1	V312 R314 D345 L349 T354 A358 K362	V312-F364 HydrophobicContact CG1-CB 4.3Å; R314-F364 HydrophobicContact CB-CD1 3.91Å; R314-F364 HydrophobicContact CB-CE1 4.12Å; R314-F364 HydrophobicContact CG-CB 4.16Å; R314-F364 HydrophobicContact CG-CD1 3.69Å; R314-F364 HydrophobicContact CG-CE1 4.34Å; R314-F364 HydrophobicContact CG-CG 4.02Å; D345-F364 HydrophobicContact CB-CE2 4.33Å; L349-F364 HydrophobicContact CD1-CE1 4.47Å; L349-F364 HydrophobicContact CD1-CE2 4.48Å; L349-F364 HydrophobicContact CD1-CZ 3.64Å; L349-F364 HydrophobicContact CD2-CE1 4.14Å; L349-F364 HydrophobicContact CD2-CZ 3.54Å; L349-F364 HydrophobicContact CG-CZ 4.23Å; T354-F364 HydrophobicContact CG2-CE1 4.35Å; A358-F364 HydrophobicContact CB-CD1 3.91Å; A358-F364 HydrophobicContact CB-CE1 3.82Å; A358-F364 HydrophobicContact CB-CG 4.44Å; A358-F364 HydrophobicContact CB-CZ 4.25Å; K362-F364 WeakPolarHBondContact O-CD2 3.32Å
365	S	93.6	Very high	94.3	Very high	27 Å²	27	31.7 Å²	31.7	19%	0.189	14%	0.141	C	C	.	.			trans	-155.3	172.2	176.9	63.4	0	0	0	0	110.5	V312 K367 S368 D369	V312-S365 WeakPolarHBondContact CG1-O 3.45Å; S365-K367 PolarHBondContact O-N 2.74Å; S365-K367 VanDerWaalsContact O-N 3.12Å; S365-K367 PolarHBondContact OG-N 2.91Å; S365-S368 PolarHBondContact N-OG 3.28Å; S365-S368 PolarHBondContact O-N 3.22Å; S365-S368 PolarHBondContact O-OG 2.97Å; S365-S368 PolarHBondContact OG-N 2.75Å; S365-D369 PolarHBondContact O-N 2.86Å
366	T	95.8	Very high	94.4	Very high	29 Å²	29	31.7 Å²	31.7	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-29	171.2	66.7	0	0	0	0	111.3	E307 V312 D369 V370	E307-T366 HydrophobicContact CB-CG2 4.17Å; E307-T366 HydrophobicContact CG-CG2 4.04Å; E307-T366 PolarHBondContact OE1-OG1 3.05Å; E307-T366 VanDerWaalsContact OE1-OG1 3.14Å; V312-T366 HydrophobicContact CG2-CG2 4.37Å; T366-D369 WeakPolarHBondContact O-CB 3.35Å; T366-D369 PolarHBondContact O-N 3.33Å; T366-D369 VanDerWaalsContact O-N 3.16Å; T366-V370 WeakPolarHBondContact O-CG2 3.49Å; T366-V370 PolarHBondContact O-N 3.01Å
367	K	97.8	Very high	94.6	Very high	46 Å²	46	31 Å²	31	20%	0.2	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-29	175.3	-58.1	-58.1	-174.5	175.6	0	114	S365 D369 V370 W371 P428 R431 P432	S365-K367 PolarHBondContact O-N 2.74Å; S365-K367 VanDerWaalsContact O-N 3.12Å; S365-K367 PolarHBondContact OG-N 2.91Å; K367-D369 VanDerWaalsContact C-N 3.34Å; K367-V370 PolarHBondContact O-N 3.29Å; K367-W371 PolarHBondContact O-N 2.86Å; K367-P428 HydrophobicContact CB-CB 3.86Å; K367-P428 WeakPolarHBondContact CD-O 3.31Å; K367-P428 HydrophobicContact CG-CB 4.48Å; K367-P428 WeakPolarHBondContact CG-O 3.44Å; K367-R431 HydrophobicContact CD-CB 4.32Å; K367-R431 PolarHBondContact NZ-O 2.76Å; K367-R431 WeakPolarHBondContact O-CD 2.99Å; K367-R431 PolarHBondContact O-NH1 3.44Å; K367-P432 PolarHBondContact NZ-O 3.17Å; K367-P432 VanDerWaalsContact NZ-O 3.16Å
368	S	96.9	Very high	94.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-72.1	-31.3	170	58.2	0	0	0	0	111.4	S365 W371 S372	S365-S368 PolarHBondContact N-OG 3.28Å; S365-S368 PolarHBondContact O-N 3.22Å; S365-S368 PolarHBondContact O-OG 2.97Å; S365-S368 PolarHBondContact OG-N 2.75Å; S368-W371 WeakPolarHBondContact O-CB 3.39Å; S368-W371 PolarHBondContact O-N 3.43Å; S368-S372 PolarHBondContact O-N 3.46Å; S368-S372 PolarHBondContact O-OG 2.93Å
369	D	98.1	Very high	95.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-33.7	171.8	-72.6	-21.1	0	0	0	112.2	M303 V312 H313 R314 S365 T366 K367 W371 S372 Y373 F434	M303-D369 HydrophobicContact CE-CB 3.78Å; V312-D369 WeakPolarHBondContact CA-OD2 3.21Å; V312-D369 VanDerWaalsContact CG1-OD2 3.31Å; V312-D369 WeakPolarHBondContact CG1-OD2 3.45Å; H313-D369 PolarHBondContact N-OD2 3.29Å; R314-D369 PolarHBondContact N-OD1 3.1Å; S365-D369 PolarHBondContact O-N 2.86Å; T366-D369 WeakPolarHBondContact O-CB 3.35Å; T366-D369 PolarHBondContact O-N 3.33Å; T366-D369 VanDerWaalsContact O-N 3.16Å; K367-D369 VanDerWaalsContact C-N 3.34Å; D369-W371 VanDerWaalsContact C-N 3.26Å; D369-W371 PolarHBondContact O-N 3.21Å; D369-S372 WeakPolarHBondContact O-CB 3.48Å; D369-S372 PolarHBondContact O-N 2.96Å; D369-Y373 WeakPolarHBondContact O-CB 3.4Å; D369-Y373 PolarHBondContact O-N 3.29Å; D369-F434 HydrophobicContact CB-CE2 4.03Å; D369-F434 HydrophobicContact CB-CZ 4.07Å
370	V	98.8	Very high	95.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-37.1	172.6	170.5	0	0	0	0	111.4	T366 K367 Y373 G374 C423 R431 P432 F434 L437	T366-V370 WeakPolarHBondContact O-CG2 3.49Å; T366-V370 PolarHBondContact O-N 3.01Å; K367-V370 PolarHBondContact O-N 3.29Å; V370-Y373 PolarHBondContact O-N 3.13Å; V370-G374 PolarHBondContact O-N 2.9Å; V370-G374 VanDerWaalsContact O-N 3.12Å; V370-C423 HydrophobicContact CG1-CB 4.21Å; V370-C423 VanDerWaalsContact O-CB 3.31Å; V370-C423 WeakPolarHBondContact O-CB 3.46Å; V370-C423 PolarHBondContact O-SG 3.36Å; V370-R431 HydrophobicContact CG1-CB 3.94Å; V370-P432 HydrophobicContact CG1-CG 4.33Å; V370-P432 WeakPolarHBondContact CG2-O 3.27Å; V370-F434 HydrophobicContact CG2-CD2 3.96Å; V370-F434 HydrophobicContact CG2-CE1 4.39Å; V370-F434 HydrophobicContact CG2-CE2 3.63Å; V370-F434 HydrophobicContact CG2-CG 4.47Å; V370-F434 HydrophobicContact CG2-CZ 3.87Å; V370-L437 HydrophobicContact CG1-CD1 4.12Å
371	W	98.8	Very high	96.1	Very high	7 Å²	7	21 Å²	21	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-51.4	172.2	177.9	-75.4	0	0	0	111.3	W353 A355 P356 K367 S368 D369 Y373 G374 I375 V400 W424 L426	W353-W371 VanDerWaalsContact O-CD1 3.28Å; A355-W371 HydrophobicContact CB-CB 3.71Å; A355-W371 HydrophobicContact CB-CD2 4.08Å; A355-W371 HydrophobicContact CB-CG 3.68Å; P356-W371 HydrophobicContact CG-CH2 3.92Å; P356-W371 HydrophobicContact CG-CZ2 4.17Å; P356-W371 HydrophobicContact CG-CZ3 4.2Å; K367-W371 PolarHBondContact O-N 2.86Å; S368-W371 WeakPolarHBondContact O-CB 3.39Å; S368-W371 PolarHBondContact O-N 3.43Å; D369-W371 VanDerWaalsContact C-N 3.26Å; D369-W371 PolarHBondContact O-N 3.21Å; W371-Y373 PolarHBondContact O-N 3.29Å; W371-G374 WeakPolarHBondContact O-CA 3.46Å; W371-G374 PolarHBondContact O-N 2.89Å; W371-I375 PolarHBondContact O-N 2.65Å; W371-I375 VanDerWaalsContact O-N 3.17Å; W371-V400 HydrophobicContact CH2-CG1 3.4Å; W371-V400 HydrophobicContact CZ2-CG1 3.61Å; W371-W424 HydrophobicContact CE3-CB 4.36Å; W371-W424 HydrophobicContact CH2-CB 4.09Å; W371-W424 HydrophobicContact CZ3-CB 4Å; W371-L426 HydrophobicContact CZ3-CD2 4.49Å
372	S	98.8	Very high	96.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-56.5	-39	177.3	-53.7	0	0	0	0	111.7	L316 W353 S368 D369 G374 I375 L376	L316-S372 WeakPolarHBondContact O-CB 3.4Å; W353-S372 WeakPolarHBondContact O-CA 3.36Å; W353-S372 PolarHBondContact O-OG 2.9Å; W353-S372 VanDerWaalsContact O-OG 3.04Å; S368-S372 PolarHBondContact O-N 3.46Å; S368-S372 PolarHBondContact O-OG 2.93Å; D369-S372 WeakPolarHBondContact O-CB 3.48Å; D369-S372 PolarHBondContact O-N 2.96Å; S372-G374 PolarHBondContact O-N 3.16Å; S372-I375 WeakPolarHBondContact O-CB 3.27Å; S372-I375 PolarHBondContact O-N 3.48Å; S372-I375 VanDerWaalsContact O-N 3.15Å; S372-L376 PolarHBondContact O-N 2.95Å
373	Y	98.9	Very high	97.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.7	-39.4	174.7	-179.1	-107.8	0	0	0	112.4	S296 V299 C300 L316 D369 V370 W371 I375 L376 L377 F434 L437 L441	S296-Y373 PolarHBondContact O-OH 3.14Å; V299-Y373 HydrophobicContact CB-CE2 4.17Å; V299-Y373 HydrophobicContact CG1-CD2 3.93Å; V299-Y373 HydrophobicContact CG1-CE2 3.86Å; C300-Y373 HydrophobicContact CB-CE2 4.25Å; C300-Y373 WeakPolarHBondContact CB-OH 3.41Å; L316-Y373 HydrophobicContact CD2-CD2 4.2Å; D369-Y373 WeakPolarHBondContact O-CB 3.4Å; D369-Y373 PolarHBondContact O-N 3.29Å; V370-Y373 PolarHBondContact O-N 3.13Å; W371-Y373 PolarHBondContact O-N 3.29Å; Y373-I375 VanDerWaalsContact C-N 3.31Å; Y373-I375 PolarHBondContact O-N 3.19Å; Y373-L376 HydrophobicContact CD2-CD2 4.19Å; Y373-L376 HydrophobicContact CE2-CD2 4.19Å; Y373-L376 WeakPolarHBondContact O-CB 3.39Å; Y373-L376 PolarHBondContact O-N 3.41Å; Y373-L377 HydrophobicContact CD1-CD1 4.12Å; Y373-L377 HydrophobicContact CD1-CG 4.27Å; Y373-L377 HydrophobicContact CE1-CD1 3.63Å; Y373-L377 HydrophobicContact CE1-CD2 4.19Å; Y373-L377 HydrophobicContact CE1-CG 3.85Å; Y373-L377 HydrophobicContact CE2-CD2 4.37Å; Y373-L377 HydrophobicContact CE2-CG 4.43Å; Y373-L377 WeakPolarHBondContact O-CG 3.47Å; Y373-L377 PolarHBondContact O-N 2.99Å; Y373-F434 HydrophobicContact CD1-CE1 4.13Å; Y373-F434 HydrophobicContact CD2-CE1 4.15Å; Y373-F434 AromaticContact CG-CE1 3.73Å; Y373-F434 HydrophobicContact CG-CE1 3.73Å; Y373-L437 HydrophobicContact CD1-CD1 3.77Å; Y373-L437 HydrophobicContact CE1-CD1 4Å; Y373-L441 WeakPolarHBondContact OH-CD1 3.47Å
374	G	98.9	Very high	97.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-59.9	-40.7	172.2	0	0	0	0	0	112.6	V370 W371 S372 L377 W378 W424	V370-G374 PolarHBondContact O-N 2.9Å; V370-G374 VanDerWaalsContact O-N 3.12Å; W371-G374 WeakPolarHBondContact O-CA 3.46Å; W371-G374 PolarHBondContact O-N 2.89Å; S372-G374 PolarHBondContact O-N 3.16Å; G374-L377 PolarHBondContact O-N 3.44Å; G374-W378 PolarHBondContact O-N 2.92Å; G374-W378 VanDerWaalsContact O-N 3.15Å; G374-W424 VanDerWaalsContact C-NE1 3.33Å; G374-W424 WeakPolarHBondContact O-CZ2 3.1Å
375	I	98.9	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.5	-42.3	174.2	-55.4	-65.9	0	0	0	110.8	W353 W371 S372 Y373 L377 W378 E379 P387 Y388 M406 W424	W353-I375 VanDerWaalsContact CD1-CG2 3.45Å; W353-I375 HydrophobicContact CD2-CG2 4.47Å; W353-I375 HydrophobicContact CG-CG2 4.03Å; W371-I375 PolarHBondContact O-N 2.65Å; W371-I375 VanDerWaalsContact O-N 3.17Å; S372-I375 WeakPolarHBondContact O-CB 3.27Å; S372-I375 PolarHBondContact O-N 3.48Å; S372-I375 VanDerWaalsContact O-N 3.15Å; Y373-I375 VanDerWaalsContact C-N 3.31Å; Y373-I375 PolarHBondContact O-N 3.19Å; I375-L377 PolarHBondContact O-N 3.48Å; I375-W378 WeakPolarHBondContact O-CA 3.33Å; I375-W378 WeakPolarHBondContact O-CB 3.32Å; I375-W378 PolarHBondContact O-N 3.42Å; I375-W378 VanDerWaalsContact O-N 3.1Å; I375-E379 PolarHBondContact O-N 3.49Å; I375-P387 HydrophobicContact CG2-CB 3.95Å; I375-P387 HydrophobicContact CG2-CG 3.61Å; I375-Y388 HydrophobicContact CD1-CE2 4.14Å; I375-Y388 WeakPolarHBondContact CD1-OH 3.31Å; I375-M406 HydrophobicContact CD1-CE 3.55Å; I375-W424 HydrophobicContact CD1-CZ2 3.87Å; I375-W424 VanDerWaalsContact CD1-NE1 3.3Å
376	L	98.9	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.2	-40.7	176.1	176.9	153	0	0	0	112.3	V299 L316 V321 S372 Y373 W378 E379 I380	V299-L376 HydrophobicContact CB-CD2 4.41Å; V299-L376 HydrophobicContact CG1-CD1 3.95Å; V299-L376 HydrophobicContact CG1-CD2 4.07Å; V299-L376 HydrophobicContact CG2-CD2 4.44Å; L316-L376 HydrophobicContact CD1-CD1 3.89Å; L316-L376 HydrophobicContact CG-CD1 3.96Å; V321-L376 HydrophobicContact CG2-CD1 3.85Å; S372-L376 PolarHBondContact O-N 2.95Å; Y373-L376 HydrophobicContact CD2-CD2 4.19Å; Y373-L376 HydrophobicContact CE2-CD2 4.19Å; Y373-L376 WeakPolarHBondContact O-CB 3.39Å; Y373-L376 PolarHBondContact O-N 3.41Å; L376-W378 VanDerWaalsContact C-N 3.28Å; L376-W378 PolarHBondContact O-N 3.1Å; L376-E379 WeakPolarHBondContact O-CB 3.3Å; L376-E379 PolarHBondContact O-N 2.76Å; L376-E379 VanDerWaalsContact O-N 3.12Å; L376-I380 HydrophobicContact CD2-CD1 3.49Å; L376-I380 VanDerWaalsContact CD2-CD1 3.49Å; L376-I380 HydrophobicContact CD2-CG1 4.17Å; L376-I380 HydrophobicContact CG-CD1 4.5Å; L376-I380 WeakPolarHBondContact O-CG1 3.45Å; L376-I380 PolarHBondContact O-N 3.33Å
377	L	98.9	Very high	98.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.6	-43.2	171.9	-74.3	-179.7	0	0	0	110.7	S296 Y373 G374 I375 E379 I380 Y381 M420	S296-L377 WeakPolarHBondContact OG-CD2 3.34Å; Y373-L377 HydrophobicContact CD1-CD1 4.12Å; Y373-L377 HydrophobicContact CD1-CG 4.27Å; Y373-L377 HydrophobicContact CE1-CD1 3.63Å; Y373-L377 HydrophobicContact CE1-CD2 4.19Å; Y373-L377 HydrophobicContact CE1-CG 3.85Å; Y373-L377 HydrophobicContact CE2-CD2 4.37Å; Y373-L377 HydrophobicContact CE2-CG 4.43Å; Y373-L377 WeakPolarHBondContact O-CG 3.47Å; Y373-L377 PolarHBondContact O-N 2.99Å; G374-L377 PolarHBondContact O-N 3.44Å; I375-L377 PolarHBondContact O-N 3.48Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 3.12Å; L377-I380 PolarHBondContact O-N 2.95Å; L377-Y381 VanDerWaalsContact O-CD2 3.32Å; L377-Y381 WeakPolarHBondContact O-CD2 3.47Å; L377-Y381 PolarHBondContact O-N 3.2Å; L377-M420 HydrophobicContact CB-CE 4Å; L377-M420 HydrophobicContact CB-CG 3.87Å; L377-M420 HydrophobicContact CB-SD 4.43Å; L377-M420 HydrophobicContact CD1-CG 4.25Å
378	W	98.9	Very high	98.4	Very high	11 Å²	11	13.5 Å²	13.5	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-61.9	-40.3	174.9	-170.9	96.2	0	0	0	111.7	G374 I375 L376 S382 R385 P387 P389 M406 D407 P409 M420 W424	G374-W378 PolarHBondContact O-N 2.92Å; G374-W378 VanDerWaalsContact O-N 3.15Å; I375-W378 WeakPolarHBondContact O-CA 3.33Å; I375-W378 WeakPolarHBondContact O-CB 3.32Å; I375-W378 PolarHBondContact O-N 3.42Å; I375-W378 VanDerWaalsContact O-N 3.1Å; L376-W378 VanDerWaalsContact C-N 3.28Å; L376-W378 PolarHBondContact O-N 3.1Å; W378-S382 WeakPolarHBondContact CZ3-OG 3.48Å; W378-S382 WeakPolarHBondContact O-CB 3.45Å; W378-S382 PolarHBondContact O-N 2.88Å; W378-S382 PolarHBondContact O-OG 3.15Å; W378-R385 HydrophobicContact CH2-CB 3.82Å; W378-R385 HydrophobicContact CZ3-CB 3.85Å; W378-P387 HydrophobicContact CE3-CG 4.41Å; W378-P387 HydrophobicContact CZ3-CG 4.48Å; W378-P389 HydrophobicContact CH2-CG 4.43Å; W378-P389 HydrophobicContact CZ2-CG 4.38Å; W378-M406 HydrophobicContact CB-CE 4.06Å; W378-M406 HydrophobicContact CD2-CE 3.95Å; W378-M406 HydrophobicContact CD2-SD 3.91Å; W378-M406 HydrophobicContact CE3-CE 4.44Å; W378-M406 HydrophobicContact CE3-SD 4.26Å; W378-M406 HydrophobicContact CG-CE 3.76Å; W378-M406 HydrophobicContact CG-SD 4.29Å; W378-M406 HydrophobicContact CZ2-SD 4.25Å; W378-D407 PolarHBondContact NE1-O 3.15Å; W378-P409 HydrophobicContact CD2-CG 4.44Å; W378-P409 HydrophobicContact CG-CG 4.12Å; W378-M420 HydrophobicContact CB-SD 3.96Å; W378-W424 HydrophobicContact CB-CH2 4.04Å; W378-W424 HydrophobicContact CB-CZ2 4.02Å; W378-W424 AromaticContact CD1-CH2 3.95Å; W378-W424 HydrophobicContact CG-CH2 4.26Å
379	E	98.8	Very high	98.4	Very high	5 Å²	5	16.6 Å²	16.6	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-60.4	-45	173.2	-66.3	-179.4	99.8	0	0	112.2	A318 W353 I375 L376 L377 S382 F383 G384 P387	A318-E379 HydrophobicContact CB-CB 4.01Å; A318-E379 HydrophobicContact CB-CG 4.47Å; A318-E379 PolarHBondContact N-OE2 3.34Å; W353-E379 WeakPolarHBondContact CZ2-OE1 3.48Å; W353-E379 VanDerWaalsContact NE1-CD 3.28Å; W353-E379 PolarHBondContact NE1-OE2 3.39Å; I375-E379 PolarHBondContact O-N 3.49Å; L376-E379 WeakPolarHBondContact O-CB 3.3Å; L376-E379 PolarHBondContact O-N 2.76Å; L376-E379 VanDerWaalsContact O-N 3.12Å; L377-E379 VanDerWaalsContact C-N 3.32Å; L377-E379 PolarHBondContact O-N 3.12Å; E379-S382 WeakPolarHBondContact CA-OG 3.44Å; E379-S382 PolarHBondContact O-N 3.43Å; E379-S382 PolarHBondContact O-OG 3.12Å; E379-F383 PolarHBondContact O-N 3.48Å; E379-F383 VanDerWaalsContact O-N 3.16Å; E379-G384 PolarHBondContact O-N 3.31Å; E379-P387 HydrophobicContact CG-CG 3.98Å
380	I	98.8	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-55.1	178	-70.1	175.6	0	0	0	110.5	L275 L279 L292 F295 L376 L377 S382 F383	L275-I380 HydrophobicContact CD2-CD1 4.15Å; L275-I380 HydrophobicContact CD2-CG1 4.07Å; L279-I380 HydrophobicContact CD1-CG1 4.32Å; L292-I380 HydrophobicContact CB-CG2 3.82Å; L292-I380 HydrophobicContact CD2-CG2 3.89Å; L292-I380 HydrophobicContact CG-CG2 4.35Å; F295-I380 HydrophobicContact CB-CD1 4.2Å; L376-I380 HydrophobicContact CD2-CD1 3.49Å; L376-I380 VanDerWaalsContact CD2-CD1 3.49Å; L376-I380 HydrophobicContact CD2-CG1 4.17Å; L376-I380 HydrophobicContact CG-CD1 4.5Å; L376-I380 WeakPolarHBondContact O-CG1 3.45Å; L376-I380 PolarHBondContact O-N 3.33Å; L377-I380 PolarHBondContact O-N 2.95Å; I380-S382 PolarHBondContact O-N 3.45Å; I380-F383 PolarHBondContact O-N 2.83Å; I380-F383 VanDerWaalsContact O-N 3.1Å
381	Y	98.6	Very high	98.2	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-77.1	-9	-175.1	-75.6	-96.5	0	0	0	113.6	L292 L377 P409 C412 P413 V416 M420	L292-Y381 HydrophobicContact CB-CE1 4.27Å; L292-Y381 HydrophobicContact CB-CE2 4.48Å; L292-Y381 HydrophobicContact CD1-CD1 4.17Å; L292-Y381 HydrophobicContact CD1-CE1 4.4Å; L377-Y381 VanDerWaalsContact O-CD2 3.32Å; L377-Y381 WeakPolarHBondContact O-CD2 3.47Å; L377-Y381 PolarHBondContact O-N 3.2Å; Y381-P409 VanDerWaalsContact O-CB 3.27Å; Y381-P409 WeakPolarHBondContact O-CB 3.21Å; Y381-C412 HydrophobicContact CD1-CB 4.5Å; Y381-P413 HydrophobicContact CE1-CG 4.37Å; Y381-V416 HydrophobicContact CD1-CG1 4.45Å; Y381-V416 HydrophobicContact CD2-CG1 3.93Å; Y381-V416 HydrophobicContact CE1-CB 4.43Å; Y381-V416 HydrophobicContact CE1-CG1 4.07Å; Y381-V416 HydrophobicContact CE1-CG2 4.19Å; Y381-V416 HydrophobicContact CE2-CG1 3.51Å; Y381-V416 HydrophobicContact CG-CG1 4.38Å; Y381-M420 HydrophobicContact CD2-CE 3.99Å; Y381-M420 HydrophobicContact CG-CE 4.13Å
382	S	98.3	Very high	98	Very high	8 Å²	8	32.1 Å²	32.1	6%	0.056	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7	169.9	68.9	0	0	0	0	113.3	W378 E379 I380 G384 R385	W378-S382 WeakPolarHBondContact CZ3-OG 3.48Å; W378-S382 WeakPolarHBondContact O-CB 3.45Å; W378-S382 PolarHBondContact O-N 2.88Å; W378-S382 PolarHBondContact O-OG 3.15Å; E379-S382 WeakPolarHBondContact CA-OG 3.44Å; E379-S382 PolarHBondContact O-N 3.43Å; E379-S382 PolarHBondContact O-OG 3.12Å; I380-S382 PolarHBondContact O-N 3.45Å; S382-G384 VanDerWaalsContact C-N 3.32Å; S382-G384 PolarHBondContact O-N 2.8Å; S382-R385 WeakPolarHBondContact O-CG 3.49Å; S382-R385 PolarHBondContact O-N 3.17Å; S382-R385 PolarHBondContact OG-N 3Å
383	F	98.3	Very high	97.8	Very high	35 Å²	35	36.6 Å²	36.6	15%	0.154	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	43.2	-179.4	-54.9	-89.3	0	0	0	113	R284 L287 L292 E379 I380	R284-F383 VanDerWaalsContact CA-CE1 3.4Å; R284-F383 HydrophobicContact CB-CD1 4.16Å; R284-F383 HydrophobicContact CB-CD2 3.97Å; R284-F383 HydrophobicContact CB-CE1 3.77Å; R284-F383 HydrophobicContact CB-CE2 3.56Å; R284-F383 HydrophobicContact CB-CG 4.26Å; R284-F383 HydrophobicContact CB-CZ 3.43Å; R284-F383 VanDerWaalsContact CB-CZ 3.43Å; L287-F383 HydrophobicContact CB-CD1 4.46Å; L287-F383 HydrophobicContact CB-CE1 3.98Å; L287-F383 HydrophobicContact CD1-CD1 4.48Å; L292-F383 HydrophobicContact CD1-CE1 3.89Å; L292-F383 HydrophobicContact CD1-CZ 3.74Å; L292-F383 HydrophobicContact CD2-CD1 4.47Å; L292-F383 HydrophobicContact CD2-CE1 4.04Å; L292-F383 HydrophobicContact CG-CE1 4.44Å; E379-F383 PolarHBondContact O-N 3.48Å; E379-F383 VanDerWaalsContact O-N 3.16Å; I380-F383 PolarHBondContact O-N 2.83Å; I380-F383 VanDerWaalsContact O-N 3.1Å
384	G	97.8	Very high	97.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	80.3	22.1	175	0	0	0	0	0	114.6	R280 E379 S382	R280-G384 VanDerWaalsContact CZ-O 3.3Å; R280-G384 PolarHBondContact NE-O 3.29Å; R280-G384 PolarHBondContact NH2-O 3.46Å; E379-G384 PolarHBondContact O-N 3.31Å; S382-G384 VanDerWaalsContact C-N 3.32Å; S382-G384 PolarHBondContact O-N 2.8Å
385	R	98	Very high	97.3	Very high	116 Å²	116	47.1 Å²	47.1	44%	0.438	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-60.8	151.9	169.2	-76.5	178.2	172.1	169.1	1.5	109.9	W378 S382 D410	W378-R385 HydrophobicContact CH2-CB 3.82Å; W378-R385 HydrophobicContact CZ3-CB 3.85Å; S382-R385 WeakPolarHBondContact O-CG 3.49Å; S382-R385 PolarHBondContact O-N 3.17Å; S382-R385 PolarHBondContact OG-N 3Å; R385-D410 IonicContact CZ-OD2 2.8Å; R385-D410 IonicContact NH1-OD2 3.22Å; R385-D410 PolarHBondContact NH1-OD2 3.45Å; R385-D410 IonicContact NH2-OD2 3.66Å; R385-D410 PolarHBondContact NH2-OD2 2.97Å
386	V	97.7	Very high	97.1	Very high	78 Å²	78	47.3 Å²	47.3	47%	0.473	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-73.8	129.2	176	176.4	0	0	0	0	109.3	K352	K352-V386 HydrophobicContact CD-CG1 4.39Å; K352-V386 VanDerWaalsContact NZ-CG1 3.27Å
387	P	98.4	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-58	153.9	178.3	-27.2	35.5	0	0	0	113.9	K352 W353 I375 W378 E379 M406	K352-P387 HydrophobicContact CB-CB 4.36Å; K352-P387 HydrophobicContact CD-CB 4.44Å; K352-P387 WeakPolarHBondContact CD-O 3.49Å; K352-P387 WeakPolarHBondContact CE-O 3.34Å; K352-P387 PolarHBondContact NZ-O 3.04Å; W353-P387 HydrophobicContact CH2-CG 4.34Å; W353-P387 HydrophobicContact CZ2-CG 3.73Å; I375-P387 HydrophobicContact CG2-CB 3.95Å; I375-P387 HydrophobicContact CG2-CG 3.61Å; W378-P387 HydrophobicContact CE3-CG 4.41Å; W378-P387 HydrophobicContact CZ3-CG 4.48Å; E379-P387 HydrophobicContact CG-CG 3.98Å; P387-M406 HydrophobicContact CB-CE 4.32Å; P387-M406 HydrophobicContact CB-SD 3.99Å
388	Y	97.9	Very high	96.7	Very high	9 Å²	9	52.1 Å²	52.1	4%	0.035	26%	0.255	C	S	.	.	S	Bend	trans	54.1	61.1	-176.8	-51.3	-89.6	0	0	0	111.9	K352 I375 R390 I391 V396 V400 Y404 M406	K352-Y388 HydrophobicContact CB-CD2 3.93Å; K352-Y388 HydrophobicContact CB-CE2 3.96Å; K352-Y388 HydrophobicContact CD-CD2 4.28Å; K352-Y388 HydrophobicContact CG-CD2 3.92Å; K352-Y388 HydrophobicContact CG-CE2 4.4Å; K352-Y388 WeakPolarHBondContact O-CE2 3.43Å; I375-Y388 HydrophobicContact CD1-CE2 4.14Å; I375-Y388 WeakPolarHBondContact CD1-OH 3.31Å; Y388-R390 PolarHBondContact O-N 3.47Å; Y388-I391 PolarHBondContact O-N 3.48Å; Y388-V396 HydrophobicContact CD1-CG1 3.9Å; Y388-V396 HydrophobicContact CD2-CG1 3.97Å; Y388-V396 HydrophobicContact CD2-CG2 4.43Å; Y388-V396 HydrophobicContact CE1-CG1 3.87Å; Y388-V396 HydrophobicContact CE2-CG1 3.97Å; Y388-V396 HydrophobicContact CG-CG1 3.95Å; Y388-V396 HydrophobicContact CG-CG2 4.08Å; Y388-V400 HydrophobicContact CE1-CG2 3.74Å; Y388-Y404 HydrophobicContact CD1-CD1 4.44Å; Y388-Y404 AromaticContact CD1-CE1 3.92Å; Y388-Y404 HydrophobicContact CD1-CE1 3.92Å; Y388-Y404 HydrophobicContact CE1-CE1 4.31Å; Y388-M406 HydrophobicContact CD1-CG 3.89Å; Y388-M406 HydrophobicContact CD1-SD 4.23Å; Y388-M406 HydrophobicContact CD2-SD 4.24Å; Y388-M406 HydrophobicContact CE1-CG 4.06Å; Y388-M406 HydrophobicContact CE1-SD 4.42Å; Y388-M406 HydrophobicContact CE2-CE 4.46Å; Y388-M406 HydrophobicContact CE2-SD 4.39Å; Y388-M406 HydrophobicContact CG-CG 4.35Å; Y388-M406 HydrophobicContact CG-SD 4.14Å; Y388-M406 PolarHBondContact N-SD 3.15Å
389	P	96.4	Very high	96.6	Very high	68 Å²	68	57.3 Å²	57.3	44%	0.442	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.7	-178	26	-34.3	0	0	0	110.2	W378 I391	W378-P389 HydrophobicContact CH2-CG 4.43Å; W378-P389 HydrophobicContact CZ2-CG 4.38Å; P389-I391 PolarHBondContact O-N 3.27Å
390	R	94.8	Very high	96.4	Very high	252 Å²	252	57.3 Å²	57.3	95%	0.951	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	13.3	177.7	-45.4	175.8	-166.9	-179.2	3.7	115.2	Y388	Y388-R390 PolarHBondContact O-N 3.47Å
391	I	96.9	Very high	96.2	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.077	29%	0.293	C	S	.	.			trans	-106.4	119.3	172.6	-57.9	178.1	0	0	0	108.5	Y388 P389 D395 V396 Y404	Y388-I391 PolarHBondContact O-N 3.48Å; P389-I391 PolarHBondContact O-N 3.27Å; I391-D395 HydrophobicContact CG2-CB 4Å; I391-V396 HydrophobicContact CB-CG2 4.5Å; I391-V396 HydrophobicContact CG2-CG2 3.88Å; I391-Y404 HydrophobicContact CD1-CD1 4.27Å; I391-Y404 HydrophobicContact CD1-CE1 3.54Å; I391-Y404 HydrophobicContact CD1-CE2 4.35Å
392	P	96	Very high	96	Very high	67 Å²	67	69.9 Å²	69.9	44%	0.435	33%	0.331	S	S	.	.			trans	-58.5	145.3	172.8	-23.4	34.1	0	0	0	111.6	K394 D395 V396	P392-K394 VanDerWaalsContact C-N 3.25Å; P392-K394 HydrophobicContact CB-CG 4.21Å; P392-K394 PolarHBondContact O-N 3.19Å; P392-K394 VanDerWaalsContact O-N 3.16Å; P392-D395 WeakPolarHBondContact CB-OD2 3.45Å; P392-D395 WeakPolarHBondContact CD-OD2 3.45Å; P392-D395 WeakPolarHBondContact CG-OD2 3.38Å; P392-D395 PolarHBondContact O-N 3.21Å; P392-V396 PolarHBondContact O-N 3.38Å
393	L	93.1	Very high	95.8	Very high	97 Å²	97	71.7 Å²	71.7	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-55.1	-40.3	-173.8	-167.3	66	0	0	0	113.2	V351 K352 D395 V396	V351-L393 HydrophobicContact CB-CD1 3.92Å; V351-L393 HydrophobicContact CB-CG 4.38Å; V351-L393 HydrophobicContact CG1-CD1 4.03Å; V351-L393 HydrophobicContact CG1-CG 4.4Å; K352-L393 HydrophobicContact CD-CD1 4.43Å; K352-L393 HydrophobicContact CG-CD1 3.81Å; L393-D395 PolarHBondContact O-N 3.35Å; L393-V396 PolarHBondContact O-N 3.31Å
394	K	93	Very high	95.8	Very high	169 Å²	169	73.3 Å²	73.3	74%	0.735	36%	0.356	S	S	*	.	H	α-helix	trans	-60.4	-23.9	177.5	62.6	173	-173.5	178.9	0	113.9	P392 P398	P392-K394 VanDerWaalsContact C-N 3.25Å; P392-K394 HydrophobicContact CB-CG 4.21Å; P392-K394 PolarHBondContact O-N 3.19Å; P392-K394 VanDerWaalsContact O-N 3.16Å; K394-P398 WeakPolarHBondContact O-CD 3.47Å
395	D	95.6	Very high	95.7	Very high	52 Å²	52	76.6 Å²	76.6	28%	0.278	37%	0.37	S	S	.	.	H	α-helix	trans	-99	-9.2	-175.4	-57.8	-39.1	0	0	0	112.5	I391 P392 L393 R399	I391-D395 HydrophobicContact CG2-CB 4Å; P392-D395 WeakPolarHBondContact CB-OD2 3.45Å; P392-D395 WeakPolarHBondContact CD-OD2 3.45Å; P392-D395 WeakPolarHBondContact CG-OD2 3.38Å; P392-D395 PolarHBondContact O-N 3.21Å; L393-D395 PolarHBondContact O-N 3.35Å; D395-R399 WeakPolarHBondContact O-CB 3.45Å; D395-R399 VanDerWaalsContact O-CG 3.23Å; D395-R399 WeakPolarHBondContact O-CG 3.44Å; D395-R399 PolarHBondContact O-N 2.96Å
396	V	94.8	Very high	95.8	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.024	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-56.3	-178.2	173.6	0	0	0	0	110.8	Y388 I391 P392 L393 R399 V400	Y388-V396 HydrophobicContact CD1-CG1 3.9Å; Y388-V396 HydrophobicContact CD2-CG1 3.97Å; Y388-V396 HydrophobicContact CD2-CG2 4.43Å; Y388-V396 HydrophobicContact CE1-CG1 3.87Å; Y388-V396 HydrophobicContact CE2-CG1 3.97Å; Y388-V396 HydrophobicContact CG-CG1 3.95Å; Y388-V396 HydrophobicContact CG-CG2 4.08Å; I391-V396 HydrophobicContact CB-CG2 4.5Å; I391-V396 HydrophobicContact CG2-CG2 3.88Å; P392-V396 PolarHBondContact O-N 3.38Å; L393-V396 PolarHBondContact O-N 3.31Å; V396-R399 PolarHBondContact O-N 3.27Å; V396-V400 HydrophobicContact CG1-CG2 4.35Å; V396-V400 WeakPolarHBondContact O-CG2 3.29Å; V396-V400 PolarHBondContact O-N 3.47Å
397	V	92.9	Very high	95.8	Very high	41 Å²	41	73.3 Å²	73.3	25%	0.248	36%	0.358	C	S	.	.	H	α-helix	trans	-61.2	-50.7	-176.4	-180	0	0	0	0	111.7	V351 L359 R399 V400 E401	V351-V397 HydrophobicContact CG1-CG2 3.81Å; L359-V397 HydrophobicContact CD1-CG2 3.57Å; V397-R399 PolarHBondContact O-N 3.16Å; V397-V400 PolarHBondContact O-N 2.93Å; V397-E401 HydrophobicContact CG1-CG 4.34Å; V397-E401 WeakPolarHBondContact O-CG 3.32Å; V397-E401 PolarHBondContact O-N 3.05Å
398	P	95	Very high	95.8	Very high	60 Å²	60	75.4 Å²	75.4	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-30.6	179.3	-25.2	35.1	0	0	0	114.5	K394 K402	K394-P398 WeakPolarHBondContact O-CD 3.47Å; P398-K402 WeakPolarHBondContact O-CG 3.13Å
399	R	96.9	Very high	95.8	Very high	119 Å²	119	75.5 Å²	75.5	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-75.7	-45	176.9	-74	-178.4	-175.4	-145.1	3.3	111.5	D395 V396 V397 E401 K402 G403 Y404	D395-R399 WeakPolarHBondContact O-CB 3.45Å; D395-R399 VanDerWaalsContact O-CG 3.23Å; D395-R399 WeakPolarHBondContact O-CG 3.44Å; D395-R399 PolarHBondContact O-N 2.96Å; V396-R399 PolarHBondContact O-N 3.27Å; V397-R399 PolarHBondContact O-N 3.16Å; R399-E401 VanDerWaalsContact C-N 3.31Å; R399-E401 PolarHBondContact O-N 3.23Å; R399-K402 CarbonylContact O-C 3.57Å; R399-K402 WeakPolarHBondContact O-CA 3.41Å; R399-K402 PolarHBondContact O-N 2.71Å; R399-G403 PolarHBondContact O-N 3.16Å; R399-Y404 HydrophobicContact CB-CD1 4.43Å; R399-Y404 HydrophobicContact CB-CG 4.27Å; R399-Y404 WeakPolarHBondContact O-CB 3.43Å; R399-Y404 PolarHBondContact O-N 3.38Å; R399-Y404 VanDerWaalsContact O-N 3.08Å
400	V	96.1	Very high	95.7	Very high	6 Å²	6	77 Å²	77	4%	0.036	38%	0.382	C	S	.	.	H	α-helix	trans	-59.6	-43.7	178.5	167.9	0	0	0	0	110.8	P356 W371 Y388 V396 V397 K402 G403 L426	P356-V400 HydrophobicContact CG-CG1 3.76Å; W371-V400 HydrophobicContact CH2-CG1 3.4Å; W371-V400 HydrophobicContact CZ2-CG1 3.61Å; Y388-V400 HydrophobicContact CE1-CG2 3.74Å; V396-V400 HydrophobicContact CG1-CG2 4.35Å; V396-V400 WeakPolarHBondContact O-CG2 3.29Å; V396-V400 PolarHBondContact O-N 3.47Å; V397-V400 PolarHBondContact O-N 2.93Å; V400-K402 PolarHBondContact O-N 3.42Å; V400-G403 WeakPolarHBondContact O-CA 3.47Å; V400-G403 PolarHBondContact O-N 3.32Å; V400-L426 HydrophobicContact CG1-CD2 4.34Å
401	E	93.3	Very high	95.6	Very high	82 Å²	82	68.9 Å²	68.9	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-25.1	176.4	-71.5	-177	137.6	0	0	113.1	R360 V397 R399 G403	R360-E401 IonicContact NH1-OE1 3.6Å; V397-E401 HydrophobicContact CG1-CG 4.34Å; V397-E401 WeakPolarHBondContact O-CG 3.32Å; V397-E401 PolarHBondContact O-N 3.05Å; R399-E401 VanDerWaalsContact C-N 3.31Å; R399-E401 PolarHBondContact O-N 3.23Å; E401-G403 VanDerWaalsContact C-N 3.26Å; E401-G403 PolarHBondContact O-N 3.12Å
402	K	95.4	Very high	95.7	Very high	189 Å²	189	69 Å²	69	82%	0.822	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	9.5	173.6	-68	177.5	-177.8	-177.1	0	113.5	P398 R399 V400	P398-K402 WeakPolarHBondContact O-CG 3.13Å; R399-K402 CarbonylContact O-C 3.57Å; R399-K402 WeakPolarHBondContact O-CA 3.41Å; R399-K402 PolarHBondContact O-N 2.71Å; V400-K402 PolarHBondContact O-N 3.42Å
403	G	93.8	Very high	95.7	Very high	46 Å²	46	66.5 Å²	66.5	47%	0.474	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	8.3	176.5	0	0	0	0	0	115.1	R399 V400 E401 K405	R399-G403 PolarHBondContact O-N 3.16Å; V400-G403 WeakPolarHBondContact O-CA 3.47Å; V400-G403 PolarHBondContact O-N 3.32Å; E401-G403 VanDerWaalsContact C-N 3.26Å; E401-G403 PolarHBondContact O-N 3.12Å; G403-K405 PolarHBondContact O-N 2.97Å
404	Y	97.4	Very high	96	Very high	69 Å²	69	66.6 Å²	66.6	27%	0.271	37%	0.369	S	S	.	.			trans	-62.1	135.5	173.2	175.7	-97.5	0	0	0	111.1	Y388 I391 R399 M406	Y388-Y404 HydrophobicContact CD1-CD1 4.44Å; Y388-Y404 AromaticContact CD1-CE1 3.92Å; Y388-Y404 HydrophobicContact CD1-CE1 3.92Å; Y388-Y404 HydrophobicContact CE1-CE1 4.31Å; I391-Y404 HydrophobicContact CD1-CD1 4.27Å; I391-Y404 HydrophobicContact CD1-CE1 3.54Å; I391-Y404 HydrophobicContact CD1-CE2 4.35Å; R399-Y404 HydrophobicContact CB-CD1 4.43Å; R399-Y404 HydrophobicContact CB-CG 4.27Å; R399-Y404 WeakPolarHBondContact O-CB 3.43Å; R399-Y404 PolarHBondContact O-N 3.38Å; R399-Y404 VanDerWaalsContact O-N 3.08Å; Y404-M406 HydrophobicContact CE1-CG 4.3Å
405	K	97.3	Very high	96.2	Very high	70 Å²	70	61 Å²	61	30%	0.304	35%	0.349	S	S	.	.			trans	-128.5	146.4	169.4	-61	-173.8	179.5	-169.5	0	108.1	G403 K421 W424	G403-K405 PolarHBondContact O-N 2.97Å; K405-K421 HydrophobicContact CD-CB 4.44Å; K405-K421 HydrophobicContact CD-CG 4.15Å; K405-K421 PolarHBondContact NZ-O 3.02Å; K405-W424 HydrophobicContact CB-CE3 4.15Å; K405-W424 HydrophobicContact CD-CB 4.4Å; K405-W424 HydrophobicContact CD-CE3 4.4Å; K405-W424 VanDerWaalsContact CE-O 3.27Å; K405-W424 WeakPolarHBondContact CE-O 3.44Å; K405-W424 HydrophobicContact CG-CE3 4.42Å; K405-W424 PolarHBondContact NZ-O 3.39Å
406	M	98.3	Very high	96.3	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.5	146.5	175.2	-68.4	-178.9	-71.3	0	0	110.5	I375 W378 P387 Y388 Y404 Y417 W424	I375-M406 HydrophobicContact CD1-CE 3.55Å; W378-M406 HydrophobicContact CB-CE 4.06Å; W378-M406 HydrophobicContact CD2-CE 3.95Å; W378-M406 HydrophobicContact CD2-SD 3.91Å; W378-M406 HydrophobicContact CE3-CE 4.44Å; W378-M406 HydrophobicContact CE3-SD 4.26Å; W378-M406 HydrophobicContact CG-CE 3.76Å; W378-M406 HydrophobicContact CG-SD 4.29Å; W378-M406 HydrophobicContact CZ2-SD 4.25Å; P387-M406 HydrophobicContact CB-CE 4.32Å; P387-M406 HydrophobicContact CB-SD 3.99Å; Y388-M406 HydrophobicContact CD1-CG 3.89Å; Y388-M406 HydrophobicContact CD1-SD 4.23Å; Y388-M406 HydrophobicContact CD2-SD 4.24Å; Y388-M406 HydrophobicContact CE1-CG 4.06Å; Y388-M406 HydrophobicContact CE1-SD 4.42Å; Y388-M406 HydrophobicContact CE2-CE 4.46Å; Y388-M406 HydrophobicContact CE2-SD 4.39Å; Y388-M406 HydrophobicContact CG-CG 4.35Å; Y388-M406 HydrophobicContact CG-SD 4.14Å; Y388-M406 PolarHBondContact N-SD 3.15Å; Y404-M406 HydrophobicContact CE1-CG 4.3Å; M406-Y417 WeakPolarHBondContact O-CE2 3.21Å; M406-Y417 PolarHBondContact O-OH 3.24Å; M406-W424 HydrophobicContact CB-CH2 4.39Å; M406-W424 HydrophobicContact CE-CH2 3.72Å; M406-W424 HydrophobicContact CE-CZ2 3.61Å
407	D	98	Very high	96.5	Very high	122 Å²	122	60.1 Å²	60.1	65%	0.652	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-63.1	155.6	173.8	-58.6	-48	0	0	0	111.7	W378	W378-D407 PolarHBondContact NE1-O 3.15Å
408	A	98.3	Very high	96.8	Very high	45 Å²	45	61.4 Å²	61.4	37%	0.372	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-59.8	132.4	174	0	0	0	0	0	110.2	Y417	A408-Y417 HydrophobicContact CB-CD1 3.83Å; A408-Y417 HydrophobicContact CB-CD2 3.81Å; A408-Y417 HydrophobicContact CB-CE1 4.03Å; A408-Y417 HydrophobicContact CB-CE2 4.04Å; A408-Y417 HydrophobicContact CB-CG 3.71Å
409	P	97.9	Very high	97	Very high	10 Å²	10	58.8 Å²	58.8	7%	0.065	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-57.9	150.5	172.9	-24.1	33.2	0	0	0	112.5	W378 Y381 G411 C412	W378-P409 HydrophobicContact CD2-CG 4.44Å; W378-P409 HydrophobicContact CG-CG 4.12Å; Y381-P409 VanDerWaalsContact O-CB 3.27Å; Y381-P409 WeakPolarHBondContact O-CB 3.21Å; P409-G411 PolarHBondContact O-N 3.17Å; P409-G411 VanDerWaalsContact O-N 3.17Å; P409-C412 HydrophobicContact CB-CB 4.07Å; P409-C412 HydrophobicContact CG-CB 4.31Å; P409-C412 WeakPolarHBondContact O-CB 3.49Å; P409-C412 PolarHBondContact O-N 2.78Å
410	D	95.3	Very high	97	Very high	99 Å²	99	53.1 Å²	53.1	53%	0.529	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	118.8	178.3	-53.8	-47.8	0	0	0	110.6	R385 C412	R385-D410 IonicContact CZ-OD2 2.8Å; R385-D410 IonicContact NH1-OD2 3.22Å; R385-D410 PolarHBondContact NH1-OD2 3.45Å; R385-D410 IonicContact NH2-OD2 3.66Å; R385-D410 PolarHBondContact NH2-OD2 2.97Å; D410-C412 VanDerWaalsContact C-N 3.33Å
411	G	93.2	Very high	97.2	Very high	83 Å²	83	56.2 Å²	56.2	86%	0.856	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	9.7	-178.4	0	0	0	0	0	115.1	P409	P409-G411 PolarHBondContact O-N 3.17Å; P409-G411 VanDerWaalsContact O-N 3.17Å
412	C	97.4	Very high	97.4	Very high	16 Å²	16	55.2 Å²	55.2	11%	0.108	32%	0.316	C	S	.	.			trans	-69.7	128.4	174.3	-175.5	0	0	0	0	110.9	Y381 P409 D410	Y381-C412 HydrophobicContact CD1-CB 4.5Å; P409-C412 HydrophobicContact CB-CB 4.07Å; P409-C412 HydrophobicContact CG-CB 4.31Å; P409-C412 WeakPolarHBondContact O-CB 3.49Å; P409-C412 PolarHBondContact O-N 2.78Å; D410-C412 VanDerWaalsContact C-N 3.33Å
413	P	97.8	Very high	97.6	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.097	28%	0.277	C	S	.	.			trans	-59.3	132.5	174.8	-23.6	33.4	0	0	0	111.3	Y381 V415 V416 Y417 Y450	Y381-P413 HydrophobicContact CE1-CG 4.37Å; P413-V415 HydrophobicContact CB-CG2 4.16Å; P413-V415 PolarHBondContact O-N 2.95Å; P413-V415 VanDerWaalsContact O-N 3.14Å; P413-V416 HydrophobicContact CB-CB 4.49Å; P413-V416 HydrophobicContact CB-CG2 4.04Å; P413-V416 HydrophobicContact CG-CG2 4.24Å; P413-V416 WeakPolarHBondContact O-CB 3.31Å; P413-V416 PolarHBondContact O-N 2.83Å; P413-Y417 PolarHBondContact O-N 2.91Å; P413-Y417 VanDerWaalsContact O-N 3.14Å; P413-Y450 WeakPolarHBondContact CG-O 3.36Å
414	P	98	Very high	97.8	Very high	100 Å²	100	44.3 Å²	44.3	65%	0.649	26%	0.256	S	S	*	.	H	α-helix	trans	-54.1	-38.5	-177.7	-29.2	35.5	0	0	0	113.5	V416 Y417 D418	P414-V416 VanDerWaalsContact C-N 3.28Å; P414-V416 PolarHBondContact O-N 2.96Å; P414-Y417 PolarHBondContact O-N 3.02Å; P414-D418 PolarHBondContact O-N 3.35Å
415	V	97.8	Very high	97.9	Very high	50 Å²	50	43 Å²	43	30%	0.303	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-32.4	178.5	-63.2	0	0	0	0	113.1	P413 L419 I444 L449	P413-V415 HydrophobicContact CB-CG2 4.16Å; P413-V415 PolarHBondContact O-N 2.95Å; P413-V415 VanDerWaalsContact O-N 3.14Å; V415-L419 PolarHBondContact O-N 3.12Å; V415-I444 HydrophobicContact CB-CD1 4.23Å; V415-I444 HydrophobicContact CB-CG1 4.37Å; V415-I444 HydrophobicContact CG2-CD1 3.97Å; V415-I444 HydrophobicContact CG2-CG1 3.98Å; V415-I444 HydrophobicContact CG2-CG2 4.19Å; V415-L449 HydrophobicContact CG2-CB 3.9Å; V415-L449 VanDerWaalsContact CG2-O 3.3Å; V415-L449 WeakPolarHBondContact CG2-O 3.47Å
416	V	98.3	Very high	97.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-76.4	-42.4	176	178.9	0	0	0	0	109.7	Y381 P413 P414 D418 L419 M420 I444	Y381-V416 HydrophobicContact CD1-CG1 4.45Å; Y381-V416 HydrophobicContact CD2-CG1 3.93Å; Y381-V416 HydrophobicContact CE1-CB 4.43Å; Y381-V416 HydrophobicContact CE1-CG1 4.07Å; Y381-V416 HydrophobicContact CE1-CG2 4.19Å; Y381-V416 HydrophobicContact CE2-CG1 3.51Å; Y381-V416 HydrophobicContact CG-CG1 4.38Å; P413-V416 HydrophobicContact CB-CB 4.49Å; P413-V416 HydrophobicContact CB-CG2 4.04Å; P413-V416 HydrophobicContact CG-CG2 4.24Å; P413-V416 WeakPolarHBondContact O-CB 3.31Å; P413-V416 PolarHBondContact O-N 2.83Å; P414-V416 VanDerWaalsContact C-N 3.28Å; P414-V416 PolarHBondContact O-N 2.96Å; V416-D418 PolarHBondContact O-N 2.87Å; V416-L419 WeakPolarHBondContact O-CA 3.43Å; V416-L419 VanDerWaalsContact O-CB 3.31Å; V416-L419 WeakPolarHBondContact O-CB 3.44Å; V416-L419 PolarHBondContact O-N 3.47Å; V416-M420 HydrophobicContact CG1-CE 3.95Å; V416-M420 PolarHBondContact O-N 2.87Å; V416-M420 VanDerWaalsContact O-N 3.12Å; V416-I444 HydrophobicContact CG2-CD1 4.29Å; V416-I444 HydrophobicContact CG2-CG2 4.48Å
417	Y	98.7	Very high	97.8	Very high	39 Å²	39	47.5 Å²	47.5	15%	0.153	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-33.9	176.1	-178	-120.1	0	0	0	112.3	M406 A408 P413 P414 L419 M420 K421 W424	M406-Y417 WeakPolarHBondContact O-CE2 3.21Å; M406-Y417 PolarHBondContact O-OH 3.24Å; A408-Y417 HydrophobicContact CB-CD1 3.83Å; A408-Y417 HydrophobicContact CB-CD2 3.81Å; A408-Y417 HydrophobicContact CB-CE1 4.03Å; A408-Y417 HydrophobicContact CB-CE2 4.04Å; A408-Y417 HydrophobicContact CB-CG 3.71Å; P413-Y417 PolarHBondContact O-N 2.91Å; P413-Y417 VanDerWaalsContact O-N 3.14Å; P414-Y417 PolarHBondContact O-N 3.02Å; Y417-L419 VanDerWaalsContact C-N 3.27Å; Y417-L419 PolarHBondContact O-N 3.17Å; Y417-M420 HydrophobicContact CD2-CB 4.36Å; Y417-M420 HydrophobicContact CD2-SD 3.95Å; Y417-M420 WeakPolarHBondContact O-CB 3.37Å; Y417-M420 PolarHBondContact O-N 2.97Å; Y417-M420 VanDerWaalsContact O-N 3.17Å; Y417-K421 HydrophobicContact CD1-CD 4.16Å; Y417-K421 HydrophobicContact CD1-CG 4.49Å; Y417-K421 HydrophobicContact CE1-CD 3.66Å; Y417-K421 HydrophobicContact CE1-CG 4.08Å; Y417-K421 HydrophobicContact CE2-CG 4.3Å; Y417-K421 PolarHBondContact O-N 3.14Å; Y417-W424 HydrophobicContact CE2-CZ3 4.18Å
418	D	98.5	Very high	97.7	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-34	171.7	-74.4	-25.1	0	0	0	112.8	P414 V416 K421 Q422	P414-D418 PolarHBondContact O-N 3.35Å; V416-D418 PolarHBondContact O-N 2.87Å; D418-K421 WeakPolarHBondContact OD1-CE 3.38Å; D418-K421 IonicContact OD1-NZ 3.75Å; D418-K421 PolarHBondContact OD1-NZ 2.95Å; D418-Q422 VanDerWaalsContact O-CG 3.3Å; D418-Q422 WeakPolarHBondContact O-CG 3.3Å; D418-Q422 PolarHBondContact O-N 3.17Å; D418-Q422 VanDerWaalsContact O-N 3.14Å; D418-Q422 PolarHBondContact O-NE2 3.19Å
419	L	98.5	Very high	97.6	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-44.4	171.3	-61.9	178	0	0	0	111.5	V415 V416 Y417 K421 Q422 C423 L437 K440 L441 I444	V415-L419 PolarHBondContact O-N 3.12Å; V416-L419 WeakPolarHBondContact O-CA 3.43Å; V416-L419 VanDerWaalsContact O-CB 3.31Å; V416-L419 WeakPolarHBondContact O-CB 3.44Å; V416-L419 PolarHBondContact O-N 3.47Å; Y417-L419 VanDerWaalsContact C-N 3.27Å; Y417-L419 PolarHBondContact O-N 3.17Å; L419-K421 VanDerWaalsContact C-N 3.3Å; L419-K421 PolarHBondContact O-N 3.12Å; L419-Q422 WeakPolarHBondContact O-CB 3.31Å; L419-Q422 PolarHBondContact O-N 3.39Å; L419-Q422 VanDerWaalsContact O-N 3.12Å; L419-C423 PolarHBondContact O-N 3.14Å; L419-C423 PolarHBondContact O-SG 3Å; L419-L437 HydrophobicContact CD2-CD2 4.38Å; L419-K440 HydrophobicContact CD1-CB 4.37Å; L419-K440 HydrophobicContact CD2-CB 3.87Å; L419-K440 HydrophobicContact CD2-CD 3.41Å; L419-K440 VanDerWaalsContact CD2-CD 3.41Å; L419-K440 HydrophobicContact CD2-CG 4.26Å; L419-L441 HydrophobicContact CD1-CD2 3.67Å; L419-L441 HydrophobicContact CD1-CG 4.01Å; L419-I444 HydrophobicContact CD1-CD1 3.69Å; L419-I444 HydrophobicContact CG-CD1 4.47Å
420	M	98.8	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-46.1	176	-57.7	-179.7	-165.6	0	0	110.8	L377 W378 Y381 V416 Y417 Q422 C423 W424	L377-M420 HydrophobicContact CB-CE 4Å; L377-M420 HydrophobicContact CB-CG 3.87Å; L377-M420 HydrophobicContact CB-SD 4.43Å; L377-M420 HydrophobicContact CD1-CG 4.25Å; W378-M420 HydrophobicContact CB-SD 3.96Å; Y381-M420 HydrophobicContact CD2-CE 3.99Å; Y381-M420 HydrophobicContact CG-CE 4.13Å; V416-M420 HydrophobicContact CG1-CE 3.95Å; V416-M420 PolarHBondContact O-N 2.87Å; V416-M420 VanDerWaalsContact O-N 3.12Å; Y417-M420 HydrophobicContact CD2-CB 4.36Å; Y417-M420 HydrophobicContact CD2-SD 3.95Å; Y417-M420 WeakPolarHBondContact O-CB 3.37Å; Y417-M420 PolarHBondContact O-N 2.97Å; Y417-M420 VanDerWaalsContact O-N 3.17Å; M420-Q422 VanDerWaalsContact C-N 3.31Å; M420-Q422 PolarHBondContact O-N 3.47Å; M420-C423 WeakPolarHBondContact O-CB 3.28Å; M420-C423 PolarHBondContact O-N 3.14Å; M420-W424 HydrophobicContact CB-CE3 4.28Å; M420-W424 HydrophobicContact CB-CH2 3.76Å; M420-W424 HydrophobicContact CB-CZ2 4.05Å; M420-W424 HydrophobicContact CB-CZ3 3.89Å; M420-W424 HydrophobicContact CG-CH2 4.45Å; M420-W424 VanDerWaalsContact O-CD2 3.26Å; M420-W424 PolarHBondContact O-N 2.99Å; M420-W424 HydrophobicContact SD-CH2 4.14Å
421	K	98.8	Very high	97.8	Very high	71 Å²	71	45.5 Å²	45.5	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-34.9	178.1	-73.5	-175.7	-64.1	179.8	0	113.2	K405 Y417 D418 L419 W424	K405-K421 HydrophobicContact CD-CB 4.44Å; K405-K421 HydrophobicContact CD-CG 4.15Å; K405-K421 PolarHBondContact NZ-O 3.02Å; Y417-K421 HydrophobicContact CD1-CD 4.16Å; Y417-K421 HydrophobicContact CD1-CG 4.49Å; Y417-K421 HydrophobicContact CE1-CD 3.66Å; Y417-K421 HydrophobicContact CE1-CG 4.08Å; Y417-K421 HydrophobicContact CE2-CG 4.3Å; Y417-K421 PolarHBondContact O-N 3.14Å; D418-K421 WeakPolarHBondContact OD1-CE 3.38Å; D418-K421 IonicContact OD1-NZ 3.75Å; D418-K421 PolarHBondContact OD1-NZ 2.95Å; L419-K421 VanDerWaalsContact C-N 3.3Å; L419-K421 PolarHBondContact O-N 3.12Å; K421-W424 CarbonylContact O-C 3.56Å; K421-W424 PolarHBondContact O-N 3.02Å
422	Q	98.6	Very high	98.1	Very high	60 Å²	60	42 Å²	42	28%	0.28	24%	0.235	S	C	.	.	H	α-helix	trans	-67.5	-42.7	174.9	-74.2	165.4	63.3	0	0	111.4	D418 L419 M420 W424 T425 P432	D418-Q422 VanDerWaalsContact O-CG 3.3Å; D418-Q422 WeakPolarHBondContact O-CG 3.3Å; D418-Q422 PolarHBondContact O-N 3.17Å; D418-Q422 VanDerWaalsContact O-N 3.14Å; D418-Q422 PolarHBondContact O-NE2 3.19Å; L419-Q422 WeakPolarHBondContact O-CB 3.31Å; L419-Q422 PolarHBondContact O-N 3.39Å; L419-Q422 VanDerWaalsContact O-N 3.12Å; M420-Q422 VanDerWaalsContact C-N 3.31Å; M420-Q422 PolarHBondContact O-N 3.47Å; Q422-W424 VanDerWaalsContact C-N 3.27Å; Q422-W424 PolarHBondContact O-N 3.42Å; Q422-T425 WeakPolarHBondContact O-CB 3.28Å; Q422-T425 PolarHBondContact O-N 3.28Å; Q422-T425 PolarHBondContact O-OG1 3.12Å; Q422-P432 HydrophobicContact CB-CG 4.42Å
423	C	98.8	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.6	-37.9	172.6	-70.6	0	0	0	0	112.3	V370 L419 M420 T425 R431	V370-C423 HydrophobicContact CG1-CB 4.21Å; V370-C423 VanDerWaalsContact O-CB 3.31Å; V370-C423 WeakPolarHBondContact O-CB 3.46Å; V370-C423 PolarHBondContact O-SG 3.36Å; L419-C423 PolarHBondContact O-N 3.14Å; L419-C423 PolarHBondContact O-SG 3Å; M420-C423 WeakPolarHBondContact O-CB 3.28Å; M420-C423 PolarHBondContact O-N 3.14Å; C423-T425 VanDerWaalsContact C-N 3.25Å; C423-T425 PolarHBondContact O-N 3.35Å; C423-R431 VanDerWaalsContact O-CD 3.31Å; C423-R431 WeakPolarHBondContact O-CD 3.49Å
424	W	98.6	Very high	98.2	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.027	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	30.9	178.2	-52.2	-35.6	0	0	0	114.2	W371 G374 I375 W378 K405 M406 Y417 M420 K421 Q422	W371-W424 HydrophobicContact CE3-CB 4.36Å; W371-W424 HydrophobicContact CH2-CB 4.09Å; W371-W424 HydrophobicContact CZ3-CB 4Å; G374-W424 VanDerWaalsContact C-NE1 3.33Å; G374-W424 WeakPolarHBondContact O-CZ2 3.1Å; I375-W424 HydrophobicContact CD1-CZ2 3.87Å; I375-W424 VanDerWaalsContact CD1-NE1 3.3Å; W378-W424 HydrophobicContact CB-CH2 4.04Å; W378-W424 HydrophobicContact CB-CZ2 4.02Å; W378-W424 AromaticContact CD1-CH2 3.95Å; W378-W424 HydrophobicContact CG-CH2 4.26Å; K405-W424 HydrophobicContact CB-CE3 4.15Å; K405-W424 HydrophobicContact CD-CB 4.4Å; K405-W424 HydrophobicContact CD-CE3 4.4Å; K405-W424 VanDerWaalsContact CE-O 3.27Å; K405-W424 WeakPolarHBondContact CE-O 3.44Å; K405-W424 HydrophobicContact CG-CE3 4.42Å; K405-W424 PolarHBondContact NZ-O 3.39Å; M406-W424 HydrophobicContact CB-CH2 4.39Å; M406-W424 HydrophobicContact CE-CH2 3.72Å; M406-W424 HydrophobicContact CE-CZ2 3.61Å; Y417-W424 HydrophobicContact CE2-CZ3 4.18Å; M420-W424 HydrophobicContact CB-CE3 4.28Å; M420-W424 HydrophobicContact CB-CH2 3.76Å; M420-W424 HydrophobicContact CB-CZ2 4.05Å; M420-W424 HydrophobicContact CB-CZ3 3.89Å; M420-W424 HydrophobicContact CG-CH2 4.45Å; M420-W424 VanDerWaalsContact O-CD2 3.26Å; M420-W424 PolarHBondContact O-N 2.99Å; M420-W424 HydrophobicContact SD-CH2 4.14Å; K421-W424 CarbonylContact O-C 3.56Å; K421-W424 PolarHBondContact O-N 3.02Å; Q422-W424 VanDerWaalsContact C-N 3.27Å; Q422-W424 PolarHBondContact O-N 3.42Å
425	T	98.4	Very high	98.2	Very high	41 Å²	41	44 Å²	44	25%	0.252	23%	0.23	S	C	.	.			trans	-74	130.8	169.7	-57	0	0	0	0	108.9	Q422 C423 D427 M430 R431	Q422-T425 WeakPolarHBondContact O-CB 3.28Å; Q422-T425 PolarHBondContact O-N 3.28Å; Q422-T425 PolarHBondContact O-OG1 3.12Å; C423-T425 VanDerWaalsContact C-N 3.25Å; C423-T425 PolarHBondContact O-N 3.35Å; T425-D427 PolarHBondContact O-N 3.2Å; T425-M430 HydrophobicContact CG2-CB 3.71Å; T425-R431 PolarHBondContact O-NE 2.82Å; T425-R431 PolarHBondContact O-NH2 3.38Å
426	L	96.6	Very high	98.2	Very high	80 Å²	80	45.9 Å²	45.9	42%	0.419	24%	0.237	S	C	.	.	S	Bend	trans	-61.7	-47.4	-175.4	-73	177.6	0	0	0	111.5	P356 W371 V400 P428 R431	P356-L426 HydrophobicContact CG-CD2 4.28Å; W371-L426 HydrophobicContact CZ3-CD2 4.49Å; V400-L426 HydrophobicContact CG1-CD2 4.34Å; L426-P428 WeakPolarHBondContact O-CD 3.37Å; L426-R431 PolarHBondContact O-NH2 2.89Å; L426-R431 VanDerWaalsContact O-NH2 3.1Å
427	D	96.8	Very high	98.3	Very high	86 Å²	86	45.9 Å²	45.9	46%	0.46	24%	0.237	S	C	.	.	S	Bend	trans	-66.5	113.8	172	-175.2	-10.4	0	0	0	110.5	T425 A429 M430	T425-D427 PolarHBondContact O-N 3.2Å; D427-A429 PolarHBondContact O-N 2.68Å; D427-A429 WeakPolarHBondContact OD1-CB 3.47Å; D427-A429 PolarHBondContact OD1-N 3.07Å; D427-M430 HydrophobicContact CB-CB 4.26Å; D427-M430 HydrophobicContact CB-CG 4Å; D427-M430 PolarHBondContact O-N 3.3Å
428	P	96.9	Very high	98.3	Very high	19 Å²	19	46.4 Å²	46.4	12%	0.123	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.8	-30.3	180	-20.3	32.8	0	0	0	113.5	E357 K367 L426 M430 R431	E357-P428 HydrophobicContact CG-CG 3.86Å; K367-P428 HydrophobicContact CB-CB 3.86Å; K367-P428 WeakPolarHBondContact CD-O 3.31Å; K367-P428 HydrophobicContact CG-CB 4.48Å; K367-P428 WeakPolarHBondContact CG-O 3.44Å; L426-P428 WeakPolarHBondContact O-CD 3.37Å; P428-M430 PolarHBondContact O-N 3.03Å; P428-R431 WeakPolarHBondContact O-CB 3.32Å; P428-R431 PolarHBondContact O-N 3.26Å
429	A	97	Very high	98.3	Very high	78 Å²	78	47.4 Å²	47.4	65%	0.645	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-67.9	-28.1	-179.2	0	0	0	0	0	112.1	D427 R431	D427-A429 PolarHBondContact O-N 2.68Å; D427-A429 WeakPolarHBondContact OD1-CB 3.47Å; D427-A429 PolarHBondContact OD1-N 3.07Å; A429-R431 VanDerWaalsContact C-N 3.34Å
430	M	98.2	Very high	98.3	Very high	134 Å²	134	50.6 Å²	50.6	66%	0.66	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-83.9	-8.3	179.6	-65	-59.5	-65.1	0	0	113.4	T425 D427 P428	T425-M430 HydrophobicContact CG2-CB 3.71Å; D427-M430 HydrophobicContact CB-CB 4.26Å; D427-M430 HydrophobicContact CB-CG 4Å; D427-M430 PolarHBondContact O-N 3.3Å; P428-M430 PolarHBondContact O-N 3.03Å
431	R	98.6	Very high	98.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.015	25%	0.254	C	S	.	.	S	Bend	trans	-73.2	142.6	175.4	-59.5	176	-164.1	153.3	10	109.9	E357 K367 V370 C423 T425 L426 P428 A429	E357-R431 IonicContact OE1-CZ 2.58Å; E357-R431 IonicContact OE1-NH1 2.82Å; E357-R431 PolarHBondContact OE1-NH1 3.38Å; E357-R431 IonicContact OE1-NH2 3.9Å; E357-R431 PolarHBondContact OE1-NH2 3.27Å; E357-R431 IonicContact OE2-CZ 3.51Å; E357-R431 IonicContact OE2-NH1 3.27Å; E357-R431 IonicContact OE2-NH2 3.93Å; E357-R431 PolarHBondContact OE2-NH2 2.8Å; K367-R431 HydrophobicContact CD-CB 4.32Å; K367-R431 PolarHBondContact NZ-O 2.76Å; K367-R431 WeakPolarHBondContact O-CD 2.99Å; K367-R431 PolarHBondContact O-NH1 3.44Å; V370-R431 HydrophobicContact CG1-CB 3.94Å; C423-R431 VanDerWaalsContact O-CD 3.31Å; C423-R431 WeakPolarHBondContact O-CD 3.49Å; T425-R431 PolarHBondContact O-NE 2.82Å; T425-R431 PolarHBondContact O-NH2 3.38Å; L426-R431 PolarHBondContact O-NH2 2.89Å; L426-R431 VanDerWaalsContact O-NH2 3.1Å; P428-R431 WeakPolarHBondContact O-CB 3.32Å; P428-R431 PolarHBondContact O-N 3.26Å; A429-R431 VanDerWaalsContact C-N 3.34Å
432	P	98.6	Very high	98.2	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.052	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.6	161.8	177.8	27.7	-35	0	0	0	111.9	K367 V370 Q422 M436 L437	K367-P432 PolarHBondContact NZ-O 3.17Å; K367-P432 VanDerWaalsContact NZ-O 3.16Å; V370-P432 HydrophobicContact CG1-CG 4.33Å; V370-P432 WeakPolarHBondContact CG2-O 3.27Å; Q422-P432 HydrophobicContact CB-CG 4.42Å; P432-M436 HydrophobicContact CB-CB 4.13Å; P432-M436 HydrophobicContact CB-SD 4.39Å; P432-L437 HydrophobicContact CB-CD2 4.33Å; P432-L437 HydrophobicContact CB-CG 4.11Å; P432-L437 HydrophobicContact CG-CD1 4.15Å; P432-L437 HydrophobicContact CG-CD2 3.66Å; P432-L437 HydrophobicContact CG-CG 3.78Å
433	S	98.7	Very high	98.2	Very high	26 Å²	26	52.9 Å²	52.9	18%	0.182	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-79.2	165.2	164.3	62.8	0	0	0	0	110.8	E307 R435 M436 L437	E307-S433 WeakPolarHBondContact OE2-CB 3.33Å; S433-R435 VanDerWaalsContact C-N 3.27Å; S433-R435 PolarHBondContact O-N 3.2Å; S433-M436 PolarHBondContact O-N 2.93Å; S433-M436 VanDerWaalsContact OG-CG 3.32Å; S433-M436 WeakPolarHBondContact OG-CG 3.28Å; S433-M436 PolarHBondContact OG-N 3.26Å; S433-L437 WeakPolarHBondContact O-CG 3.42Å; S433-L437 PolarHBondContact O-N 2.89Å
434	F	98.8	Very high	98.1	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-34.3	175.9	-80	-71.5	0	0	0	112.1	C300 M303 E304 E307 D369 V370 Y373 M436 L437 R438	C300-F434 PolarHBondContact SG-O 3.36Å; C300-F434 VanDerWaalsContact SG-O 3.38Å; M303-F434 HydrophobicContact CB-CD1 3.4Å; M303-F434 VanDerWaalsContact CB-CD1 3.4Å; M303-F434 HydrophobicContact CB-CD2 3.84Å; M303-F434 HydrophobicContact CB-CE1 3.31Å; M303-F434 HydrophobicContact CB-CE2 3.75Å; M303-F434 HydrophobicContact CB-CG 3.67Å; M303-F434 HydrophobicContact CB-CZ 3.49Å; M303-F434 VanDerWaalsContact CB-CZ 3.49Å; M303-F434 HydrophobicContact CE-CE2 4.03Å; M303-F434 HydrophobicContact CE-CZ 3.92Å; M303-F434 HydrophobicContact CG-CD1 4.35Å; M303-F434 HydrophobicContact CG-CE1 3.81Å; M303-F434 HydrophobicContact CG-CZ 3.91Å; E304-F434 HydrophobicContact CB-CB 3.83Å; E307-F434 HydrophobicContact CB-CD2 4.25Å; E307-F434 PolarHBondContact OE2-N 3.36Å; D369-F434 HydrophobicContact CB-CE2 4.03Å; D369-F434 HydrophobicContact CB-CZ 4.07Å; V370-F434 HydrophobicContact CG2-CD2 3.96Å; V370-F434 HydrophobicContact CG2-CE1 4.39Å; V370-F434 HydrophobicContact CG2-CE2 3.63Å; V370-F434 HydrophobicContact CG2-CG 4.47Å; V370-F434 HydrophobicContact CG2-CZ 3.87Å; Y373-F434 HydrophobicContact CD1-CE1 4.13Å; Y373-F434 HydrophobicContact CD2-CE1 4.15Å; Y373-F434 AromaticContact CG-CE1 3.73Å; Y373-F434 HydrophobicContact CG-CE1 3.73Å; F434-M436 PolarHBondContact O-N 3.17Å; F434-L437 HydrophobicContact CD1-CD1 4.11Å; F434-L437 HydrophobicContact CE1-CD1 4.42Å; F434-L437 WeakPolarHBondContact O-CB 3.42Å; F434-L437 PolarHBondContact O-N 3.23Å; F434-R438 PolarHBondContact O-N 3.16Å
435	R	98.6	Very high	98	Very high	147 Å²	147	57.5 Å²	57.5	56%	0.555	28%	0.284	S	S	*	.	H	α-helix	trans	-56.5	-48.7	170.9	179.1	172.9	174.6	165.3	1.3	112.5	E304 S433 L437 R438 E439	E304-R435 HydrophobicContact CG-CB 4.22Å; E304-R435 WeakPolarHBondContact OE1-CB 3.31Å; E304-R435 WeakPolarHBondContact OE1-CG 3.3Å; S433-R435 VanDerWaalsContact C-N 3.27Å; S433-R435 PolarHBondContact O-N 3.2Å; R435-L437 VanDerWaalsContact C-N 3.3Å; R435-L437 PolarHBondContact O-N 3.42Å; R435-R438 PolarHBondContact O-N 2.82Å; R435-E439 IonicContact CZ-OE1 2.67Å; R435-E439 IonicContact NE-OE1 2.89Å; R435-E439 PolarHBondContact NE-OE1 2.85Å; R435-E439 VanDerWaalsContact NE-OE1 3.13Å; R435-E439 IonicContact NH2-OE1 3.34Å; R435-E439 WeakPolarHBondContact O-CG 3.38Å; R435-E439 PolarHBondContact O-N 3.32Å
436	M	98.6	Very high	97.9	Very high	90 Å²	90	59.5 Å²	59.5	44%	0.443	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-38.4	177.9	-69.4	171	74.9	0	0	111.7	P432 S433 F434 K440	P432-M436 HydrophobicContact CB-CB 4.13Å; P432-M436 HydrophobicContact CB-SD 4.39Å; S433-M436 PolarHBondContact O-N 2.93Å; S433-M436 VanDerWaalsContact OG-CG 3.32Å; S433-M436 WeakPolarHBondContact OG-CG 3.28Å; S433-M436 PolarHBondContact OG-N 3.26Å; F434-M436 PolarHBondContact O-N 3.17Å; M436-K440 VanDerWaalsContact O-CG 3.29Å; M436-K440 WeakPolarHBondContact O-CG 3.48Å; M436-K440 PolarHBondContact O-N 3.33Å; M436-K440 VanDerWaalsContact O-N 3.1Å
437	L	98.8	Very high	97.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-44.4	176	-72.6	167.6	0	0	0	111.6	V370 Y373 L419 P432 S433 F434 R435 K440 L441	V370-L437 HydrophobicContact CG1-CD1 4.12Å; Y373-L437 HydrophobicContact CD1-CD1 3.77Å; Y373-L437 HydrophobicContact CE1-CD1 4Å; L419-L437 HydrophobicContact CD2-CD2 4.38Å; P432-L437 HydrophobicContact CB-CD2 4.33Å; P432-L437 HydrophobicContact CB-CG 4.11Å; P432-L437 HydrophobicContact CG-CD1 4.15Å; P432-L437 HydrophobicContact CG-CD2 3.66Å; P432-L437 HydrophobicContact CG-CG 3.78Å; S433-L437 WeakPolarHBondContact O-CG 3.42Å; S433-L437 PolarHBondContact O-N 2.89Å; F434-L437 HydrophobicContact CD1-CD1 4.11Å; F434-L437 HydrophobicContact CE1-CD1 4.42Å; F434-L437 WeakPolarHBondContact O-CB 3.42Å; F434-L437 PolarHBondContact O-N 3.23Å; R435-L437 VanDerWaalsContact C-N 3.3Å; R435-L437 PolarHBondContact O-N 3.42Å; L437-K440 PolarHBondContact O-N 3.1Å; L437-L441 VanDerWaalsContact O-CG 3.3Å; L437-L441 WeakPolarHBondContact O-CG 3.36Å; L437-L441 PolarHBondContact O-N 2.8Å
438	R	98.7	Very high	97.7	Very high	50 Å²	50	63.7 Å²	63.7	19%	0.189	32%	0.317	C	S	.	.	H	α-helix	trans	-60	-49.3	176.7	-177.1	-178.2	59.3	81.4	-2.1	111.1	L297 C300 E301 E304 F434 R435 K440 L441 Q442	L297-R438 HydrophobicContact CD2-CG 4.29Å; C300-R438 PolarHBondContact SG-N 3.06Å; C300-R438 VanDerWaalsContact SG-N 3.35Å; E301-R438 VanDerWaalsContact CG-CD 3.43Å; E301-R438 HydrophobicContact CG-CG 4.16Å; E304-R438 IonicContact OE1-CZ 2.72Å; E304-R438 IonicContact OE1-NE 2.71Å; E304-R438 IonicContact OE1-NH2 2.82Å; E304-R438 PolarHBondContact OE1-NH2 3.26Å; E304-R438 WeakPolarHBondContact OE2-CD 3.2Å; E304-R438 IonicContact OE2-CZ 3.45Å; E304-R438 IonicContact OE2-NE 2.67Å; E304-R438 PolarHBondContact OE2-NE 2.67Å; E304-R438 IonicContact OE2-NH2 2.97Å; F434-R438 PolarHBondContact O-N 3.16Å; R435-R438 PolarHBondContact O-N 2.82Å; R438-K440 VanDerWaalsContact C-N 3.28Å; R438-K440 PolarHBondContact O-N 3.34Å; R438-L441 PolarHBondContact O-N 3.5Å; R438-Q442 HydrophobicContact CG-CG 4.27Å; R438-Q442 VanDerWaalsContact NH1-CD 3.34Å; R438-Q442 WeakPolarHBondContact O-CB 3.18Å; R438-Q442 VanDerWaalsContact O-CG 3.31Å; R438-Q442 WeakPolarHBondContact O-CG 3.23Å; R438-Q442 PolarHBondContact O-N 2.78Å
439	E	98.5	Very high	97.4	Very high	88 Å²	88	66.4 Å²	66.4	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-57.8	-41	178.8	-71.9	170.8	-176.7	0	0	111.4	R435 H443	R435-E439 IonicContact CZ-OE1 2.67Å; R435-E439 IonicContact NE-OE1 2.89Å; R435-E439 PolarHBondContact NE-OE1 2.85Å; R435-E439 VanDerWaalsContact NE-OE1 3.13Å; R435-E439 IonicContact NH2-OE1 3.34Å; R435-E439 WeakPolarHBondContact O-CG 3.38Å; R435-E439 PolarHBondContact O-N 3.32Å; E439-H443 WeakPolarHBondContact O-CB 3.4Å; E439-H443 PolarHBondContact O-N 2.88Å
440	K	98.4	Very high	96.8	Very high	72 Å²	72	64 Å²	64	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-67	-42.4	175.3	-70.8	-179.6	-171.4	-166.3	0	113	L419 M436 L437 R438 H443 I444	L419-K440 HydrophobicContact CD1-CB 4.37Å; L419-K440 HydrophobicContact CD2-CB 3.87Å; L419-K440 HydrophobicContact CD2-CD 3.41Å; L419-K440 VanDerWaalsContact CD2-CD 3.41Å; L419-K440 HydrophobicContact CD2-CG 4.26Å; M436-K440 VanDerWaalsContact O-CG 3.29Å; M436-K440 WeakPolarHBondContact O-CG 3.48Å; M436-K440 PolarHBondContact O-N 3.33Å; M436-K440 VanDerWaalsContact O-N 3.1Å; L437-K440 PolarHBondContact O-N 3.1Å; R438-K440 VanDerWaalsContact C-N 3.28Å; R438-K440 PolarHBondContact O-N 3.34Å; K440-H443 WeakPolarHBondContact O-CB 3.44Å; K440-H443 PolarHBondContact O-N 2.99Å; K440-I444 WeakPolarHBondContact O-CG1 3.33Å; K440-I444 PolarHBondContact O-N 3.18Å
441	L	98.3	Very high	95.7	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.2	-39	177.2	-69.5	162.8	0	0	0	111.7	L293 L297 C300 Y373 L419 L437 R438 H443 I444 R445	L293-L441 HydrophobicContact CD1-CB 4.4Å; L293-L441 HydrophobicContact CD1-CD2 3.64Å; L297-L441 HydrophobicContact CD2-CB 3.5Å; L297-L441 HydrophobicContact CD2-CD1 4.5Å; L297-L441 HydrophobicContact CG-CB 3.95Å; C300-L441 HydrophobicContact CB-CD1 4.02Å; Y373-L441 WeakPolarHBondContact OH-CD1 3.47Å; L419-L441 HydrophobicContact CD1-CD2 3.67Å; L419-L441 HydrophobicContact CD1-CG 4.01Å; L437-L441 VanDerWaalsContact O-CG 3.3Å; L437-L441 WeakPolarHBondContact O-CG 3.36Å; L437-L441 PolarHBondContact O-N 2.8Å; R438-L441 PolarHBondContact O-N 3.5Å; L441-H443 VanDerWaalsContact C-N 3.32Å; L441-I444 PolarHBondContact O-N 3.27Å; L441-R445 PolarHBondContact O-N 3.22Å
442	Q	97.9	Very high	95.6	Very high	77 Å²	77	69.2 Å²	69.2	36%	0.36	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-40.1	173.3	-72.5	179.9	-17.5	0	0	111.2	L297 R438 R445 A446	L297-Q442 HydrophobicContact CD2-CG 3.74Å; R438-Q442 HydrophobicContact CG-CG 4.27Å; R438-Q442 VanDerWaalsContact NH1-CD 3.34Å; R438-Q442 WeakPolarHBondContact O-CB 3.18Å; R438-Q442 VanDerWaalsContact O-CG 3.31Å; R438-Q442 WeakPolarHBondContact O-CG 3.23Å; R438-Q442 PolarHBondContact O-N 2.78Å; Q442-R445 PolarHBondContact O-N 3.29Å; Q442-A446 WeakPolarHBondContact O-CB 3.5Å; Q442-A446 PolarHBondContact O-N 2.9Å
443	H	97.6	Very high	95.4	Very high	103 Å²	103	72.4 Å²	72.4	48%	0.477	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-47.2	173.7	-178.4	79	0	0	0	112.3	E439 K440 L441 R445 A446 K447	E439-H443 WeakPolarHBondContact O-CB 3.4Å; E439-H443 PolarHBondContact O-N 2.88Å; K440-H443 WeakPolarHBondContact O-CB 3.44Å; K440-H443 PolarHBondContact O-N 2.99Å; L441-H443 VanDerWaalsContact C-N 3.32Å; H443-R445 VanDerWaalsContact C-N 3.25Å; H443-R445 PolarHBondContact O-N 3.26Å; H443-A446 PolarHBondContact O-N 3.44Å; H443-K447 WeakPolarHBondContact O-CB 3.49Å; H443-K447 PolarHBondContact O-N 3.49Å
444	I	97.5	Very high	95.2	Very high	8 Å²	8	75 Å²	75	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-55.4	-44.1	175.1	-71.1	167.1	0	0	0	110.3	L293 V415 V416 L419 K440 L441 E448 L449 Y450	L293-I444 HydrophobicContact CD1-CG2 4.24Å; L293-I444 HydrophobicContact CD2-CG2 3.93Å; V415-I444 HydrophobicContact CB-CD1 4.23Å; V415-I444 HydrophobicContact CB-CG1 4.37Å; V415-I444 HydrophobicContact CG2-CD1 3.97Å; V415-I444 HydrophobicContact CG2-CG1 3.98Å; V415-I444 HydrophobicContact CG2-CG2 4.19Å; V416-I444 HydrophobicContact CG2-CD1 4.29Å; V416-I444 HydrophobicContact CG2-CG2 4.48Å; L419-I444 HydrophobicContact CD1-CD1 3.69Å; L419-I444 HydrophobicContact CG-CD1 4.47Å; K440-I444 WeakPolarHBondContact O-CG1 3.33Å; K440-I444 PolarHBondContact O-N 3.18Å; L441-I444 PolarHBondContact O-N 3.27Å; I444-E448 PolarHBondContact O-N 3.45Å; I444-L449 HydrophobicContact CG2-CB 4.18Å; I444-L449 PolarHBondContact O-N 3.2Å; I444-Y450 HydrophobicContact CG2-CD1 4.45Å
445	R	96.4	Very high	95	Very high	95 Å²	95	79.4 Å²	79.4	36%	0.358	38%	0.378	S	S	.	.	H	α-helix	trans	-64.7	-49.6	178.2	-164.7	171.4	-171.5	-156.3	-2	112.3	D290 L293 L441 Q442 H443 K447 E448 Y450	D290-R445 IonicContact OD1-CZ 3.45Å; D290-R445 IonicContact OD1-NE 2.74Å; D290-R445 PolarHBondContact OD1-NE 3.46Å; D290-R445 IonicContact OD1-NH2 3.06Å; D290-R445 PolarHBondContact OD1-NH2 3.08Å; D290-R445 IonicContact OD2-NH2 3.51Å; L293-R445 HydrophobicContact CD2-CB 3.55Å; L293-R445 HydrophobicContact CD2-CG 3.91Å; L293-R445 HydrophobicContact CG-CB 4.48Å; L441-R445 PolarHBondContact O-N 3.22Å; Q442-R445 PolarHBondContact O-N 3.29Å; H443-R445 VanDerWaalsContact C-N 3.25Å; H443-R445 PolarHBondContact O-N 3.26Å; R445-K447 PolarHBondContact O-N 3.19Å; R445-E448 PolarHBondContact O-N 3Å; R445-E448 VanDerWaalsContact O-N 3.12Å; R445-Y450 HydrophobicContact CG-CE1 4.29Å
446	A	96.4	Very high	94.8	Very high	84 Å²	84	75.1 Å²	75.1	69%	0.694	37%	0.367	S	S	*	.	H	α-helix	trans	-66.1	-24.5	-177.1	0	0	0	0	0	113.6	Q442 H443	Q442-A446 WeakPolarHBondContact O-CB 3.5Å; Q442-A446 PolarHBondContact O-N 2.9Å; H443-A446 PolarHBondContact O-N 3.44Å
447	K	95.8	Very high	94.5	Very high	134 Å²	134	74.1 Å²	74.1	58%	0.583	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	5	176.6	-64.4	-58.5	-173.6	-177.2	0	113.4	H443 R445 L449	H443-K447 WeakPolarHBondContact O-CB 3.49Å; H443-K447 PolarHBondContact O-N 3.49Å; R445-K447 PolarHBondContact O-N 3.19Å; K447-L449 HydrophobicContact CB-CD1 3.99Å; K447-L449 HydrophobicContact CB-CD2 4.27Å; K447-L449 HydrophobicContact CB-CG 3.7Å; K447-L449 PolarHBondContact O-N 3.2Å; K447-L449 VanDerWaalsContact O-N 3.11Å
448	E	93.1	Very high	94.2	Very high	120 Å²	120	79.4 Å²	79.4	56%	0.561	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.9	-179.8	-58.3	-178.5	170	0	0	113.8	I444 R445 Y450 L451	I444-E448 PolarHBondContact O-N 3.45Å; R445-E448 PolarHBondContact O-N 3Å; R445-E448 VanDerWaalsContact O-N 3.12Å; E448-Y450 HydrophobicContact CB-CE1 4.3Å; E448-Y450 HydrophobicContact CG-CE1 4.37Å; E448-Y450 PolarHBondContact O-N 3Å; E448-L451 HydrophobicContact CB-CD1 3.83Å; E448-L451 HydrophobicContact CB-CG 4.24Å; E448-L451 HydrophobicContact CG-CD1 4.48Å; E448-L451 PolarHBondContact O-N 3.06Å
449	L	91.6	Very high	93.9	Very high	76 Å²	76	81.7 Å²	81.7	40%	0.398	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	8.4	-178.2	-57.4	174	0	0	0	113.2	V415 I444 K447	V415-L449 HydrophobicContact CG2-CB 3.9Å; V415-L449 VanDerWaalsContact CG2-O 3.3Å; V415-L449 WeakPolarHBondContact CG2-O 3.47Å; I444-L449 HydrophobicContact CG2-CB 4.18Å; I444-L449 PolarHBondContact O-N 3.2Å; K447-L449 HydrophobicContact CB-CD1 3.99Å; K447-L449 HydrophobicContact CB-CD2 4.27Å; K447-L449 HydrophobicContact CB-CG 3.7Å; K447-L449 PolarHBondContact O-N 3.2Å; K447-L449 VanDerWaalsContact O-N 3.11Å
450	Y	84.4	Confident	93.5	Very high	28 Å²	28	81.2 Å²	81.2	11%	0.11	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-6.7	179.4	65.6	-93.2	0	0	0	113.1	D290 L293 P413 I444 R445 E448	D290-Y450 HydrophobicContact CB-CD2 4.48Å; D290-Y450 HydrophobicContact CB-CE2 3.62Å; L293-Y450 HydrophobicContact CD2-CD1 3.45Å; L293-Y450 VanDerWaalsContact CD2-CD1 3.45Å; L293-Y450 HydrophobicContact CD2-CE1 4.1Å; L293-Y450 HydrophobicContact CD2-CG 3.81Å; P413-Y450 WeakPolarHBondContact CG-O 3.36Å; I444-Y450 HydrophobicContact CG2-CD1 4.45Å; R445-Y450 HydrophobicContact CG-CE1 4.29Å; E448-Y450 HydrophobicContact CB-CE1 4.3Å; E448-Y450 HydrophobicContact CG-CE1 4.37Å; E448-Y450 PolarHBondContact O-N 3Å
451	L	74.6	Confident	93	Very high	177 Å²	177	82 Å²	82	93%	0.927	41%	0.41	S	S	*	.			trans	-75.2	0	178.4	-68	179.6	0	0	0	112.6	E448	E448-L451 HydrophobicContact CB-CD1 3.83Å; E448-L451 HydrophobicContact CB-CG 4.24Å; E448-L451 HydrophobicContact CG-CD1 4.48Å; E448-L451 PolarHBondContact O-N 3.06Å

Retrieved 451 of 451 residues in 909.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).